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 |
|
|
26803 |
2oa4   |
7371 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 7.928 22.890 3.611
2 2H MET 1 2H MET 1 9.511 23.321 4.041
3 3H MET 1 3H MET 1 8.263 23.442 5.181
4 HA MET 1 HA MET 1 9.703 21.513 5.540
5 1HB MET 1 2HB MET 1 7.341 21.529 6.279
6 2HB MET 1 1HB MET 1 6.865 20.843 4.731
7 1HG MET 1 2HG MET 1 8.213 18.852 5.215
8 2HG MET 1 1HG MET 1 8.637 19.538 6.783
9 1HE MET 1 1HE MET 1 7.385 16.635 6.477
10 2HE MET 1 2HE MET 1 6.208 16.651 7.789
11 3HE MET 1 3HE MET 1 7.803 17.368 8.024
12 H MET 2 H MET 2 11.246 20.772 4.201
13 HA MET 2 HA MET 2 10.441 19.620 1.627
14 1HB MET 2 2HB MET 2 12.236 21.309 1.602
15 2HB MET 2 1HB MET 2 13.195 20.301 2.676
16 1HG MET 2 2HG MET 2 13.903 20.149 0.330
17 2HG MET 2 1HG MET 2 13.391 18.598 0.996
18 1HE MET 2 1HE MET 2 12.274 18.257 -2.724
19 2HE MET 2 2HE MET 2 13.178 17.528 -1.397
20 3HE MET 2 3HE MET 2 13.733 19.037 -2.120
21 H PHE 3 H PHE 3 11.105 17.552 1.003
22 HA PHE 3 HA PHE 3 11.611 15.739 3.259
23 1HB PHE 3 2HB PHE 3 10.389 15.148 0.549
24 2HB PHE 3 1HB PHE 3 10.610 13.982 1.848
25 HD1 PHE 3 HD1 PHE 3 9.275 14.166 3.916
26 HD2 PHE 3 HD2 PHE 3 8.579 16.691 0.562
27 HE1 PHE 3 HE1 PHE 3 7.077 14.776 4.836
28 HE2 PHE 3 HE2 PHE 3 6.377 17.302 1.474
29 HZ PHE 3 HZ PHE 3 5.624 16.345 3.617
30 H LEU 4 H LEU 4 12.808 13.691 2.574
31 HA LEU 4 HA LEU 4 15.289 14.484 1.326
32 1HB LEU 4 2HB LEU 4 14.370 11.823 2.424
33 2HB LEU 4 1HB LEU 4 15.982 12.138 1.810
34 HG LEU 4 HG LEU 4 14.714 13.457 4.213
35 1HD1 LEU 4 1HD1 LEU 4 16.412 12.245 5.478
36 2HD1 LEU 4 2HD1 LEU 4 16.971 11.469 3.995
37 3HD1 LEU 4 3HD1 LEU 4 15.351 11.136 4.609
38 1HD2 LEU 4 1HD2 LEU 4 16.180 15.013 3.078
39 2HD2 LEU 4 2HD2 LEU 4 17.453 13.797 2.998
40 3HD2 LEU 4 3HD2 LEU 4 16.947 14.439 4.559
41 H ARG 5 H ARG 5 12.430 12.755 0.438
42 HA ARG 5 HA ARG 5 13.591 11.796 -2.051
43 1HB ARG 5 2HB ARG 5 10.793 11.569 -0.931
44 2HB ARG 5 1HB ARG 5 11.309 10.875 -2.461
45 1HG ARG 5 2HG ARG 5 12.912 9.458 -1.280
46 2HG ARG 5 1HG ARG 5 12.400 10.163 0.256
47 1HD ARG 5 2HD ARG 5 11.320 8.012 -0.102
48 2HD ARG 5 1HD ARG 5 10.132 9.316 -0.117
49 HE ARG 5 HE ARG 5 11.163 8.432 -2.704
50 1HH1 ARG 5 1HH1 ARG 5 8.570 8.311 -0.335
51 2HH1 ARG 5 2HH1 ARG 5 7.393 7.739 -1.483
52 1HH2 ARG 5 1HH2 ARG 5 9.622 7.658 -4.184
53 2HH2 ARG 5 2HH2 ARG 5 7.993 7.359 -3.659
54 H LYS 6 H LYS 6 13.877 13.291 -3.551
55 HA LYS 6 HA LYS 6 12.134 15.589 -3.740
56 1HB LYS 6 2HB LYS 6 14.617 15.691 -4.100
57 2HB LYS 6 1HB LYS 6 14.390 14.761 -5.572
58 1HG LYS 6 2HG LYS 6 13.006 16.561 -6.491
59 2HG LYS 6 1HG LYS 6 13.257 17.499 -5.016
60 1HD LYS 6 2HD LYS 6 15.699 17.444 -5.451
61 2HD LYS 6 1HD LYS 6 15.380 16.608 -6.972
62 1HE LYS 6 2HE LYS 6 14.051 18.525 -7.734
63 2HE LYS 6 1HE LYS 6 14.398 19.359 -6.218
64 1HZ LYS 6 1HZ LYS 6 15.873 20.116 -7.951
65 2HZ LYS 6 2HZ LYS 6 16.393 18.534 -8.264
66 3HZ LYS 6 3HZ LYS 6 16.769 19.279 -6.785
67 H VAL 7 H VAL 7 10.163 14.513 -4.228
68 HA VAL 7 HA VAL 7 10.022 13.583 -7.012
69 HB VAL 7 HB VAL 7 7.974 12.252 -6.246
70 1HG1 VAL 7 1HG1 VAL 7 10.044 11.233 -6.985
71 2HG1 VAL 7 2HG1 VAL 7 9.364 10.330 -5.628
72 3HG1 VAL 7 3HG1 VAL 7 10.734 11.414 -5.371
73 1HG2 VAL 7 1HG2 VAL 7 7.744 13.228 -4.021
74 2HG2 VAL 7 2HG2 VAL 7 9.333 12.605 -3.571
75 3HG2 VAL 7 3HG2 VAL 7 8.012 11.489 -3.919
76 H GLU 8 H GLU 8 8.837 14.720 -8.267
77 HA GLU 8 HA GLU 8 6.230 15.583 -7.631
78 1HB GLU 8 2HB GLU 8 7.416 17.428 -6.520
79 2HB GLU 8 1HB GLU 8 8.336 17.736 -7.985
80 1HG GLU 8 2HG GLU 8 6.551 19.364 -7.677
81 2HG GLU 8 1HG GLU 8 6.322 18.414 -9.145
82 H GLY 9 H GLY 9 9.025 16.275 -9.662
83 1HA GLY 9 2HA GLY 9 7.744 16.636 -12.107
84 2HA GLY 9 1HA GLY 9 9.389 16.057 -11.908
85 HA PRO 10 HA PRO 10 8.507 11.738 -12.871
86 1HB PRO 10 2HB PRO 10 7.935 11.125 -9.996
87 2HB PRO 10 1HB PRO 10 8.894 10.210 -11.169
88 1HG PRO 10 2HG PRO 10 10.089 11.733 -9.337
89 2HG PRO 10 1HG PRO 10 10.714 11.642 -10.993
90 1HD PRO 10 2HD PRO 10 9.246 13.841 -9.640
91 2HD PRO 10 1HD PRO 10 10.444 13.916 -10.947
92 H ARG 11 H ARG 11 6.403 12.859 -10.254
93 HA ARG 11 HA ARG 11 4.162 13.090 -10.060
94 1HB ARG 11 2HB ARG 11 4.208 12.421 -12.995
95 2HB ARG 11 1HB ARG 11 2.734 12.816 -12.121
96 1HG ARG 11 2HG ARG 11 3.612 15.009 -11.584
97 2HG ARG 11 1HG ARG 11 5.134 14.614 -12.382
98 1HD ARG 11 2HD ARG 11 4.048 14.464 -14.510
99 2HD ARG 11 1HD ARG 11 2.460 14.624 -13.764
100 HE ARG 11 HE ARG 11 4.332 16.828 -13.399
101 1HH1 ARG 11 1HH1 ARG 11 1.616 15.504 -15.142
102 2HH1 ARG 11 2HH1 ARG 11 0.986 17.051 -15.613
103 1HH2 ARG 11 1HH2 ARG 11 3.556 18.874 -14.041
104 2HH2 ARG 11 2HH2 ARG 11 2.101 18.982 -15.004
105 H SER 12 H SER 12 5.342 10.154 -11.524
106 HA SER 12 HA SER 12 3.245 8.665 -10.106
107 1HB SER 12 2HB SER 12 3.505 7.016 -12.097
108 2HB SER 12 1HB SER 12 2.530 8.468 -12.313
109 HG SER 12 HG SER 12 5.280 8.416 -12.957
110 H VAL 13 H VAL 13 3.829 6.747 -9.181
111 HA VAL 13 HA VAL 13 6.712 6.190 -9.022
112 HB VAL 13 HB VAL 13 6.045 4.739 -7.058
113 1HG1 VAL 13 1HG1 VAL 13 5.393 7.676 -6.875
114 2HG1 VAL 13 2HG1 VAL 13 6.988 6.942 -6.701
115 3HG1 VAL 13 3HG1 VAL 13 5.730 6.610 -5.509
116 1HG2 VAL 13 1HG2 VAL 13 3.848 5.173 -6.038
117 2HG2 VAL 13 2HG2 VAL 13 3.709 4.405 -7.619
118 3HG2 VAL 13 3HG2 VAL 13 3.397 6.132 -7.446
119 H THR 14 H THR 14 7.473 4.029 -9.294
120 HA THR 14 HA THR 14 5.594 2.292 -10.733
121 HB THR 14 HB THR 14 8.593 1.947 -10.570
122 HG1 THR 14 HG1 THR 14 7.113 3.706 -12.009
123 1HG2 THR 14 1HG2 THR 14 8.229 0.476 -12.527
124 2HG2 THR 14 2HG2 THR 14 6.489 0.741 -12.391
125 3HG2 THR 14 3HG2 THR 14 7.354 -0.100 -11.106
126 H LEU 15 H LEU 15 4.824 0.569 -9.761
127 HA LEU 15 HA LEU 15 5.664 -0.190 -7.131
128 1HB LEU 15 2HB LEU 15 3.886 -1.708 -9.048
129 2HB LEU 15 1HB LEU 15 3.958 -1.892 -7.305
130 HG LEU 15 HG LEU 15 2.914 0.506 -8.814
131 1HD1 LEU 15 1HD1 LEU 15 0.780 -0.100 -7.797
132 2HD1 LEU 15 2HD1 LEU 15 1.530 -1.518 -7.066
133 3HD1 LEU 15 3HD1 LEU 15 1.401 -1.395 -8.820
134 1HD2 LEU 15 1HD2 LEU 15 2.324 1.396 -6.604
135 2HD2 LEU 15 2HD2 LEU 15 4.067 1.218 -6.796
136 3HD2 LEU 15 3HD2 LEU 15 3.160 0.041 -5.843
137 HA PRO 16 HA PRO 16 8.902 -3.063 -7.741
138 1HB PRO 16 2HB PRO 16 7.172 -5.266 -6.714
139 2HB PRO 16 1HB PRO 16 8.793 -4.778 -6.203
140 1HG PRO 16 2HG PRO 16 6.663 -4.159 -4.731
141 2HG PRO 16 1HG PRO 16 8.004 -3.014 -4.922
142 1HD PRO 16 2HD PRO 16 5.293 -2.991 -6.165
143 2HD PRO 16 1HD PRO 16 6.322 -1.634 -5.664
144 H ASP 17 H ASP 17 5.755 -4.098 -8.837
145 HA ASP 17 HA ASP 17 6.873 -5.080 -11.317
146 1HB ASP 17 2HB ASP 17 5.783 -7.270 -11.164
147 2HB ASP 17 1HB ASP 17 6.962 -7.075 -9.872
148 H GLY 18 H GLY 18 5.054 -2.938 -10.299
149 1HA GLY 18 2HA GLY 18 2.569 -3.813 -11.602
150 2HA GLY 18 1HA GLY 18 2.536 -2.952 -10.081
151 H SER 19 H SER 19 4.689 -2.184 -12.741
152 HA SER 19 HA SER 19 4.799 -0.414 -14.178
153 1HB SER 19 2HB SER 19 2.626 -1.465 -14.913
154 2HB SER 19 1HB SER 19 1.786 -0.314 -13.879
155 HG SER 19 HG SER 19 1.839 0.506 -15.953
156 H ILE 20 H ILE 20 3.221 1.920 -14.352
157 HA ILE 20 HA ILE 20 4.060 3.272 -11.889
158 HB ILE 20 HB ILE 20 3.912 5.369 -13.207
159 1HG1 ILE 20 2HG1 ILE 20 3.457 3.506 -15.551
160 2HG1 ILE 20 1HG1 ILE 20 2.257 4.600 -14.871
161 1HG2 ILE 20 1HG2 ILE 20 5.707 3.256 -14.388
162 2HG2 ILE 20 2HG2 ILE 20 6.039 4.223 -12.951
163 3HG2 ILE 20 3HG2 ILE 20 5.928 5.000 -14.528
164 1HD1 ILE 20 1HD1 ILE 20 3.230 5.512 -16.896
165 2HD1 ILE 20 2HD1 ILE 20 4.840 5.415 -16.182
166 3HD1 ILE 20 3HD1 ILE 20 3.635 6.508 -15.500
167 H MET 21 H MET 21 2.673 4.422 -10.654
168 HA MET 21 HA MET 21 -0.005 4.997 -11.699
169 1HB MET 21 2HB MET 21 0.063 2.911 -10.150
170 2HB MET 21 1HB MET 21 0.334 4.070 -8.855
171 1HG MET 21 2HG MET 21 -1.754 5.216 -9.483
172 2HG MET 21 1HG MET 21 -2.037 3.982 -10.709
173 1HE MET 21 1HE MET 21 -2.260 3.402 -6.152
174 2HE MET 21 2HE MET 21 -2.198 4.958 -6.984
175 3HE MET 21 3HE MET 21 -0.776 3.910 -6.961
176 H THR 22 H THR 22 -0.966 6.863 -10.734
177 HA THR 22 HA THR 22 1.090 8.703 -9.762
178 HB THR 22 HB THR 22 -0.538 10.480 -10.405
179 HG1 THR 22 HG1 THR 22 -2.292 9.640 -11.826
180 1HG2 THR 22 1HG2 THR 22 -0.263 10.205 -12.815
181 2HG2 THR 22 2HG2 THR 22 0.121 8.498 -12.584
182 3HG2 THR 22 3HG2 THR 22 1.207 9.737 -11.957
183 H ARG 23 H ARG 23 0.017 10.577 -8.444
184 HA ARG 23 HA ARG 23 -0.950 9.414 -5.997
185 1HB ARG 23 2HB ARG 23 -0.319 12.257 -6.803
186 2HB ARG 23 1HB ARG 23 -0.818 11.788 -5.184
187 1HG ARG 23 2HG ARG 23 1.166 10.335 -5.026
188 2HG ARG 23 1HG ARG 23 1.670 10.886 -6.623
189 1HD ARG 23 2HD ARG 23 1.183 12.761 -4.322
190 2HD ARG 23 1HD ARG 23 2.751 12.027 -4.635
191 HE ARG 23 HE ARG 23 1.996 13.213 -7.000
192 1HH1 ARG 23 1HH1 ARG 23 2.482 14.315 -3.706
193 2HH1 ARG 23 2HH1 ARG 23 3.106 15.870 -4.195
194 1HH2 ARG 23 1HH2 ARG 23 2.804 15.254 -7.631
195 2HH2 ARG 23 2HH2 ARG 23 3.283 16.401 -6.416
196 H ALA 24 H ALA 24 -2.524 10.094 -8.729
197 HA ALA 24 HA ALA 24 -4.769 11.517 -7.506
198 1HB ALA 24 1HB ALA 24 -4.240 10.859 -10.398
199 2HB ALA 24 2HB ALA 24 -3.893 12.396 -9.607
200 3HB ALA 24 3HB ALA 24 -5.562 11.852 -9.783
201 H ASP 25 H ASP 25 -3.853 8.366 -8.595
202 HA ASP 25 HA ASP 25 -6.624 7.491 -8.866
203 1HB ASP 25 2HB ASP 25 -4.890 6.798 -10.523
204 2HB ASP 25 1HB ASP 25 -4.095 5.884 -9.247
205 H LEU 26 H LEU 26 -4.846 8.082 -6.325
206 HA LEU 26 HA LEU 26 -4.984 5.648 -4.836
207 1HB LEU 26 2HB LEU 26 -4.626 8.512 -3.951
208 2HB LEU 26 1HB LEU 26 -4.486 7.127 -2.887
209 HG LEU 26 HG LEU 26 -2.713 7.642 -5.276
210 1HD1 LEU 26 1HD1 LEU 26 -0.992 8.191 -3.622
211 2HD1 LEU 26 2HD1 LEU 26 -2.193 8.055 -2.335
212 3HD1 LEU 26 3HD1 LEU 26 -2.346 9.318 -3.559
213 1HD2 LEU 26 1HD2 LEU 26 -1.334 5.859 -4.317
214 2HD2 LEU 26 2HD2 LEU 26 -2.946 5.278 -4.736
215 3HD2 LEU 26 3HD2 LEU 26 -2.539 5.610 -3.053
216 HA PRO 27 HA PRO 27 -9.381 5.937 -3.774
217 1HB PRO 27 2HB PRO 27 -8.507 3.917 -1.790
218 2HB PRO 27 1HB PRO 27 -9.817 3.840 -2.970
219 1HG PRO 27 2HG PRO 27 -7.586 2.434 -3.309
220 2HG PRO 27 1HG PRO 27 -8.413 3.184 -4.680
221 1HD PRO 27 2HD PRO 27 -5.942 4.084 -3.244
222 2HD PRO 27 1HD PRO 27 -6.315 4.130 -4.979
223 HA PRO 28 HA PRO 28 -8.209 8.683 -0.378
224 1HB PRO 28 2HB PRO 28 -10.812 9.923 -0.740
225 2HB PRO 28 1HB PRO 28 -9.214 10.584 -1.088
226 1HG PRO 28 2HG PRO 28 -11.016 9.947 -3.024
227 2HG PRO 28 1HG PRO 28 -9.262 9.900 -3.274
228 1HD PRO 28 2HD PRO 28 -11.159 7.648 -2.713
229 2HD PRO 28 1HD PRO 28 -9.791 7.713 -3.845
230 H ALA 29 H ALA 29 -9.076 6.200 0.409
231 HA ALA 29 HA ALA 29 -9.893 5.126 2.220
232 1HB ALA 29 1HB ALA 29 -10.852 7.819 3.171
233 2HB ALA 29 2HB ALA 29 -9.288 7.089 3.531
234 3HB ALA 29 3HB ALA 29 -10.767 6.343 4.132
235 H ASN 30 H ASN 30 -12.174 7.543 0.986
236 HA ASN 30 HA ASN 30 -14.489 6.010 1.616
237 1HB ASN 30 2HB ASN 30 -14.200 8.214 -0.439
238 2HB ASN 30 1HB ASN 30 -15.707 7.622 0.255
239 1HD2 ASN 30 1HD2 ASN 30 -16.227 8.155 2.383
240 2HD2 ASN 30 2HD2 ASN 30 -15.429 9.447 3.221
241 H THR 31 H THR 31 -13.408 6.947 -1.650
242 HA THR 31 HA THR 31 -13.463 5.853 -3.661
243 HB THR 31 HB THR 31 -13.354 3.237 -2.177
244 HG1 THR 31 HG1 THR 31 -11.830 4.379 -1.101
245 1HG2 THR 31 1HG2 THR 31 -13.378 3.159 -4.630
246 2HG2 THR 31 2HG2 THR 31 -11.815 2.638 -4.001
247 3HG2 THR 31 3HG2 THR 31 -11.996 4.254 -4.681
248 H ARG 32 H ARG 32 -14.740 3.637 -4.628
249 HA ARG 32 HA ARG 32 -17.464 3.793 -3.521
250 1HB ARG 32 2HB ARG 32 -16.694 3.238 -6.389
251 2HB ARG 32 1HB ARG 32 -18.331 3.284 -5.754
252 1HG ARG 32 2HG ARG 32 -17.936 5.675 -5.140
253 2HG ARG 32 1HG ARG 32 -16.405 5.579 -6.015
254 1HD ARG 32 2HD ARG 32 -17.705 4.855 -8.027
255 2HD ARG 32 1HD ARG 32 -19.181 5.194 -7.124
256 HE ARG 32 HE ARG 32 -17.157 7.240 -7.790
257 1HH1 ARG 32 1HH1 ARG 32 -20.466 6.278 -7.175
258 2HH1 ARG 32 2HH1 ARG 32 -21.143 7.787 -7.709
259 1HH2 ARG 32 1HH2 ARG 32 -18.032 9.238 -8.472
260 2HH2 ARG 32 2HH2 ARG 32 -19.758 9.477 -8.415
261 H ARG 33 H ARG 33 -15.862 1.615 -5.820
262 HA ARG 33 HA ARG 33 -16.561 -0.607 -4.035
263 1HB ARG 33 2HB ARG 33 -16.499 -0.400 -7.018
264 2HB ARG 33 1HB ARG 33 -16.200 -1.957 -6.254
265 1HG ARG 33 2HG ARG 33 -18.361 -1.720 -5.054
266 2HG ARG 33 1HG ARG 33 -18.667 -0.254 -5.985
267 1HD ARG 33 2HD ARG 33 -18.824 -1.430 -8.002
268 2HD ARG 33 1HD ARG 33 -18.030 -2.856 -7.333
269 HE ARG 33 HE ARG 33 -20.522 -2.205 -6.045
270 1HH1 ARG 33 1HH1 ARG 33 -19.046 -3.884 -8.743
271 2HH1 ARG 33 2HH1 ARG 33 -20.340 -5.035 -8.901
272 1HH2 ARG 33 1HH2 ARG 33 -22.206 -3.708 -6.241
273 2HH2 ARG 33 2HH2 ARG 33 -22.130 -4.956 -7.453
274 H TRP 34 H TRP 34 -14.979 -1.557 -3.066
275 HA TRP 34 HA TRP 34 -12.226 -1.109 -3.853
276 1HB TRP 34 2HB TRP 34 -13.457 -2.682 -1.572
277 2HB TRP 34 1HB TRP 34 -11.729 -2.463 -1.813
278 HD1 TRP 34 HD1 TRP 34 -14.807 -0.668 -0.501
279 HE1 TRP 34 HE1 TRP 34 -14.068 1.545 0.595
280 HE3 TRP 34 HE3 TRP 34 -9.935 -0.612 -2.023
281 HZ2 TRP 34 HZ2 TRP 34 -11.715 3.096 0.778
282 HZ3 TRP 34 HZ3 TRP 34 -8.520 1.274 -1.349
283 HH2 TRP 34 HH2 TRP 34 -9.385 3.088 0.025
284 H VAL 35 H VAL 35 -11.993 -2.264 -5.798
285 HA VAL 35 HA VAL 35 -12.497 -5.140 -5.718
286 HB VAL 35 HB VAL 35 -11.737 -5.181 -8.064
287 1HG1 VAL 35 1HG1 VAL 35 -13.578 -3.889 -9.028
288 2HG1 VAL 35 2HG1 VAL 35 -13.782 -3.040 -7.495
289 3HG1 VAL 35 3HG1 VAL 35 -14.088 -4.774 -7.590
290 1HG2 VAL 35 1HG2 VAL 35 -11.321 -3.055 -9.247
291 2HG2 VAL 35 2HG2 VAL 35 -10.091 -3.417 -8.035
292 3HG2 VAL 35 3HG2 VAL 35 -11.337 -2.216 -7.694
293 H ALA 36 H ALA 36 -10.658 -6.579 -6.562
294 HA ALA 36 HA ALA 36 -8.607 -6.640 -4.736
295 1HB ALA 36 1HB ALA 36 -7.500 -8.256 -6.159
296 2HB ALA 36 2HB ALA 36 -8.462 -7.735 -7.543
297 3HB ALA 36 3HB ALA 36 -9.241 -8.530 -6.177
298 H SER 37 H SER 37 -8.248 -5.556 -8.127
299 HA SER 37 HA SER 37 -5.636 -4.628 -7.923
300 1HB SER 37 2HB SER 37 -6.846 -4.922 -10.063
301 2HB SER 37 1HB SER 37 -7.858 -3.532 -9.671
302 HG SER 37 HG SER 37 -5.027 -3.430 -9.905
303 H ARG 38 H ARG 38 -8.651 -3.091 -7.015
304 HA ARG 38 HA ARG 38 -7.625 -0.455 -6.730
305 1HB ARG 38 2HB ARG 38 -10.036 -0.985 -7.000
306 2HB ARG 38 1HB ARG 38 -10.035 -1.725 -5.408
307 1HG ARG 38 2HG ARG 38 -10.981 0.420 -5.167
308 2HG ARG 38 1HG ARG 38 -9.358 0.512 -4.483
309 1HD ARG 38 2HD ARG 38 -10.080 1.380 -7.279
310 2HD ARG 38 1HD ARG 38 -10.000 2.462 -5.893
311 HE ARG 38 HE ARG 38 -7.562 1.224 -5.930
312 1HH1 ARG 38 1HH1 ARG 38 -9.371 3.140 -8.247
313 2HH1 ARG 38 2HH1 ARG 38 -7.942 3.727 -9.049
314 1HH2 ARG 38 1HH2 ARG 38 -5.694 1.989 -7.025
315 2HH2 ARG 38 2HH2 ARG 38 -5.872 3.078 -8.375
316 H LYS 39 H LYS 39 -8.151 -3.149 -4.508
317 HA LYS 39 HA LYS 39 -7.361 -1.785 -2.144
318 1HB LYS 39 2HB LYS 39 -7.394 -4.741 -2.784
319 2HB LYS 39 1HB LYS 39 -7.220 -4.054 -1.174
320 1HG LYS 39 2HG LYS 39 -9.437 -3.149 -1.254
321 2HG LYS 39 1HG LYS 39 -9.613 -3.618 -2.948
322 1HD LYS 39 2HD LYS 39 -9.518 -5.959 -2.348
323 2HD LYS 39 1HD LYS 39 -9.189 -5.549 -0.664
324 1HE LYS 39 2HE LYS 39 -11.373 -4.515 -0.463
325 2HE LYS 39 1HE LYS 39 -11.701 -4.828 -2.167
326 1HZ LYS 39 1HZ LYS 39 -11.742 -7.150 -1.773
327 2HZ LYS 39 2HZ LYS 39 -12.717 -6.438 -0.579
328 3HZ LYS 39 3HZ LYS 39 -11.159 -6.971 -0.189
329 H ILE 40 H ILE 40 -5.707 -4.110 -4.238
330 HA ILE 40 HA ILE 40 -3.247 -4.154 -2.920
331 HB ILE 40 HB ILE 40 -4.153 -4.847 -5.682
332 1HG1 ILE 40 2HG1 ILE 40 -3.207 -7.055 -5.042
333 2HG1 ILE 40 1HG1 ILE 40 -2.715 -6.375 -3.497
334 1HG2 ILE 40 1HG2 ILE 40 -1.895 -5.505 -6.355
335 2HG2 ILE 40 2HG2 ILE 40 -1.246 -4.772 -4.889
336 3HG2 ILE 40 3HG2 ILE 40 -2.021 -3.763 -6.111
337 1HD1 ILE 40 1HD1 ILE 40 -5.545 -6.653 -4.482
338 2HD1 ILE 40 2HD1 ILE 40 -5.050 -5.988 -2.924
339 3HD1 ILE 40 3HD1 ILE 40 -4.744 -7.685 -3.295
340 H ALA 41 H ALA 41 -4.537 -1.937 -5.316
341 HA ALA 41 HA ALA 41 -2.156 -0.547 -5.889
342 1HB ALA 41 1HB ALA 41 -4.985 0.487 -5.948
343 2HB ALA 41 2HB ALA 41 -4.169 -0.358 -7.263
344 3HB ALA 41 3HB ALA 41 -3.592 1.223 -6.737
345 H VAL 42 H VAL 42 -4.444 -0.283 -3.228
346 HA VAL 42 HA VAL 42 -3.569 2.253 -2.301
347 HB VAL 42 HB VAL 42 -4.684 0.092 -0.512
348 1HG1 VAL 42 1HG1 VAL 42 -5.536 1.971 0.773
349 2HG1 VAL 42 2HG1 VAL 42 -4.863 3.099 -0.403
350 3HG1 VAL 42 3HG1 VAL 42 -3.787 2.097 0.576
351 1HG2 VAL 42 1HG2 VAL 42 -6.900 0.897 -1.006
352 2HG2 VAL 42 2HG2 VAL 42 -6.128 0.315 -2.483
353 3HG2 VAL 42 3HG2 VAL 42 -6.254 2.048 -2.171
354 H VAL 43 H VAL 43 -2.894 -1.040 -1.079
355 HA VAL 43 HA VAL 43 -1.001 -0.217 0.820
356 HB VAL 43 HB VAL 43 -0.105 -2.684 0.444
357 1HG1 VAL 43 1HG1 VAL 43 -2.767 -1.947 1.645
358 2HG1 VAL 43 2HG1 VAL 43 -1.198 -1.931 2.449
359 3HG1 VAL 43 3HG1 VAL 43 -1.919 -3.461 1.945
360 1HG2 VAL 43 1HG2 VAL 43 -1.304 -3.102 -1.627
361 2HG2 VAL 43 2HG2 VAL 43 -2.837 -2.726 -0.837
362 3HG2 VAL 43 3HG2 VAL 43 -1.921 -4.152 -0.348
363 H ARG 44 H ARG 44 -0.514 -1.268 -2.540
364 HA ARG 44 HA ARG 44 2.331 -1.091 -2.389
365 1HB ARG 44 2HB ARG 44 0.457 -1.085 -4.758
366 2HB ARG 44 1HB ARG 44 2.206 -1.096 -4.901
367 1HG ARG 44 2HG ARG 44 2.248 -3.235 -3.647
368 2HG ARG 44 1HG ARG 44 0.483 -3.233 -3.665
369 1HD ARG 44 2HD ARG 44 0.507 -3.212 -6.107
370 2HD ARG 44 1HD ARG 44 2.268 -3.207 -6.093
371 HE ARG 44 HE ARG 44 0.697 -5.439 -4.978
372 1HH1 ARG 44 1HH1 ARG 44 3.283 -4.203 -6.961
373 2HH1 ARG 44 2HH1 ARG 44 3.878 -5.775 -7.426
374 1HH2 ARG 44 1HH2 ARG 44 1.436 -7.531 -5.618
375 2HH2 ARG 44 2HH2 ARG 44 2.803 -7.661 -6.679
376 H GLY 45 H GLY 45 -0.234 1.144 -3.269
377 1HA GLY 45 2HA GLY 45 1.456 3.137 -4.383
378 2HA GLY 45 1HA GLY 45 -0.204 3.364 -3.846
379 H VAL 46 H VAL 46 -0.077 2.853 -1.167
380 HA VAL 46 HA VAL 46 1.020 5.327 -0.292
381 HB VAL 46 HB VAL 46 0.262 4.708 1.965
382 1HG1 VAL 46 1HG1 VAL 46 -2.134 4.573 1.456
383 2HG1 VAL 46 2HG1 VAL 46 -1.739 4.201 -0.223
384 3HG1 VAL 46 3HG1 VAL 46 -1.294 5.764 0.463
385 1HG2 VAL 46 1HG2 VAL 46 0.706 2.309 1.913
386 2HG2 VAL 46 2HG2 VAL 46 -0.568 2.090 0.714
387 3HG2 VAL 46 3HG2 VAL 46 -0.974 2.630 2.343
388 H ILE 47 H ILE 47 1.935 1.951 0.321
389 HA ILE 47 HA ILE 47 3.949 2.634 2.224
390 HB ILE 47 HB ILE 47 3.357 0.049 0.775
391 1HG1 ILE 47 2HG1 ILE 47 2.762 0.959 3.598
392 2HG1 ILE 47 1HG1 ILE 47 1.588 0.795 2.297
393 1HG2 ILE 47 1HG2 ILE 47 5.683 0.045 1.425
394 2HG2 ILE 47 2HG2 ILE 47 4.763 -1.050 2.456
395 3HG2 ILE 47 3HG2 ILE 47 5.253 0.531 3.067
396 1HD1 ILE 47 1HD1 ILE 47 3.162 -1.439 3.560
397 2HD1 ILE 47 2HD1 ILE 47 2.019 -1.616 2.229
398 3HD1 ILE 47 3HD1 ILE 47 1.452 -1.083 3.812
399 H TYR 48 H TYR 48 4.008 1.683 -1.190
400 HA TYR 48 HA TYR 48 6.922 1.679 -1.170
401 1HB TYR 48 2HB TYR 48 5.382 -0.047 -2.351
402 2HB TYR 48 1HB TYR 48 5.191 1.201 -3.579
403 HD1 TYR 48 HD1 TYR 48 6.543 1.011 -5.422
404 HD2 TYR 48 HD2 TYR 48 7.980 -0.399 -1.671
405 HE1 TYR 48 HE1 TYR 48 8.626 0.255 -6.501
406 HE2 TYR 48 HE2 TYR 48 10.061 -1.154 -2.738
407 HH TYR 48 HH TYR 48 10.960 -0.251 -5.877
408 H GLY 49 H GLY 49 4.279 3.681 -2.141
409 1HA GLY 49 2HA GLY 49 5.981 5.172 -3.996
410 2HA GLY 49 1HA GLY 49 4.232 5.235 -3.942
411 H LEU 50 H LEU 50 3.762 5.850 -1.249
412 HA LEU 50 HA LEU 50 4.611 8.646 -1.544
413 1HB LEU 50 2HB LEU 50 2.051 7.415 -0.614
414 2HB LEU 50 1HB LEU 50 2.462 9.058 -0.164
415 HG LEU 50 HG LEU 50 1.041 9.198 -2.050
416 1HD1 LEU 50 1HD1 LEU 50 3.893 9.576 -2.938
417 2HD1 LEU 50 2HD1 LEU 50 2.888 10.753 -2.091
418 3HD1 LEU 50 3HD1 LEU 50 2.474 10.258 -3.733
419 1HD2 LEU 50 1HD2 LEU 50 1.516 8.076 -4.183
420 2HD2 LEU 50 2HD2 LEU 50 1.218 6.926 -2.878
421 3HD2 LEU 50 3HD2 LEU 50 2.865 7.229 -3.426
422 H ILE 51 H ILE 51 3.298 6.778 1.243
423 HA ILE 51 HA ILE 51 5.189 8.304 2.892
424 HB ILE 51 HB ILE 51 3.497 8.963 4.463
425 1HG1 ILE 51 2HG1 ILE 51 1.999 6.976 4.152
426 2HG1 ILE 51 1HG1 ILE 51 1.151 8.511 4.248
427 1HG2 ILE 51 1HG2 ILE 51 2.680 9.667 1.653
428 2HG2 ILE 51 2HG2 ILE 51 3.880 10.491 2.648
429 3HG2 ILE 51 3HG2 ILE 51 2.179 10.530 3.108
430 1HD1 ILE 51 1HD1 ILE 51 0.194 7.040 2.566
431 2HD1 ILE 51 2HD1 ILE 51 1.742 6.990 1.720
432 3HD1 ILE 51 3HD1 ILE 51 0.850 8.508 1.836
433 H THR 52 H THR 52 4.488 7.632 5.357
434 HA THR 52 HA THR 52 5.175 4.823 5.486
435 HB THR 52 HB THR 52 5.342 5.265 7.950
436 HG1 THR 52 HG1 THR 52 5.416 7.689 8.347
437 1HG2 THR 52 1HG2 THR 52 6.904 7.123 6.153
438 2HG2 THR 52 2HG2 THR 52 7.311 5.445 6.520
439 3HG2 THR 52 3HG2 THR 52 7.358 6.666 7.792
440 H LEU 53 H LEU 53 4.058 3.570 7.340
441 HA LEU 53 HA LEU 53 1.307 3.367 6.602
442 1HB LEU 53 2HB LEU 53 2.642 1.393 7.117
443 2HB LEU 53 1HB LEU 53 2.870 1.953 8.761
444 HG LEU 53 HG LEU 53 0.519 1.641 9.249
445 1HD1 LEU 53 1HD1 LEU 53 0.245 0.763 6.374
446 2HD1 LEU 53 2HD1 LEU 53 -0.412 2.242 7.076
447 3HD1 LEU 53 3HD1 LEU 53 -1.011 0.670 7.607
448 1HD2 LEU 53 1HD2 LEU 53 2.019 -0.276 9.490
449 2HD2 LEU 53 2HD2 LEU 53 1.662 -0.760 7.831
450 3HD2 LEU 53 3HD2 LEU 53 0.386 -0.776 9.048
451 H ALA 54 H ALA 54 2.937 5.229 8.906
452 HA ALA 54 HA ALA 54 0.931 5.454 10.885
453 1HB ALA 54 1HB ALA 54 2.981 7.496 10.012
454 2HB ALA 54 2HB ALA 54 3.199 6.274 11.268
455 3HB ALA 54 3HB ALA 54 2.025 7.572 11.492
456 H GLU 55 H GLU 55 1.670 7.466 8.043
457 HA GLU 55 HA GLU 55 -0.728 9.007 8.272
458 1HB GLU 55 2HB GLU 55 1.353 8.701 6.117
459 2HB GLU 55 1HB GLU 55 -0.075 9.698 5.888
460 1HG GLU 55 2HG GLU 55 2.016 10.062 8.019
461 2HG GLU 55 1HG GLU 55 1.832 11.034 6.560
462 H ALA 56 H ALA 56 0.302 6.225 6.374
463 HA ALA 56 HA ALA 56 -1.976 6.087 4.695
464 1HB ALA 56 1HB ALA 56 0.152 4.976 4.183
465 2HB ALA 56 2HB ALA 56 -1.211 3.857 4.138
466 3HB ALA 56 3HB ALA 56 -0.117 3.862 5.523
467 H LYS 57 H LYS 57 -1.526 5.206 8.000
468 HA LYS 57 HA LYS 57 -3.871 3.493 7.963
469 1HB LYS 57 2HB LYS 57 -2.033 2.847 9.416
470 2HB LYS 57 1HB LYS 57 -2.105 4.397 10.241
471 1HG LYS 57 2HG LYS 57 -4.191 3.866 11.229
472 2HG LYS 57 1HG LYS 57 -4.381 2.437 10.217
473 1HD LYS 57 2HD LYS 57 -3.705 1.922 12.549
474 2HD LYS 57 1HD LYS 57 -2.568 1.332 11.340
475 1HE LYS 57 2HE LYS 57 -2.100 4.011 12.547
476 2HE LYS 57 1HE LYS 57 -1.750 2.582 13.516
477 1HZ LYS 57 1HZ LYS 57 0.208 3.318 12.319
478 2HZ LYS 57 2HZ LYS 57 -0.606 3.185 10.841
479 3HZ LYS 57 3HZ LYS 57 -0.285 1.796 11.752
480 H GLN 58 H GLN 58 -2.927 6.712 9.072
481 HA GLN 58 HA GLN 58 -5.424 7.281 10.316
482 1HB GLN 58 2HB GLN 58 -3.226 9.108 9.348
483 2HB GLN 58 1HB GLN 58 -4.634 9.651 10.248
484 1HG GLN 58 2HG GLN 58 -3.993 8.262 12.131
485 2HG GLN 58 1HG GLN 58 -2.600 7.666 11.231
486 1HE2 GLN 58 1HE2 GLN 58 -0.870 9.022 10.871
487 2HE2 GLN 58 2HE2 GLN 58 -0.626 10.481 11.776
488 H THR 59 H THR 59 -4.110 7.817 7.091
489 HA THR 59 HA THR 59 -6.576 9.127 6.261
490 HB THR 59 HB THR 59 -4.168 8.436 4.565
491 HG1 THR 59 HG1 THR 59 -4.303 10.181 6.533
492 1HG2 THR 59 1HG2 THR 59 -5.041 10.133 3.051
493 2HG2 THR 59 2HG2 THR 59 -6.394 10.436 4.141
494 3HG2 THR 59 3HG2 THR 59 -6.252 8.880 3.322
495 H TYR 60 H TYR 60 -4.675 6.243 5.255
496 HA TYR 60 HA TYR 60 -7.043 5.365 3.770
497 1HB TYR 60 2HB TYR 60 -4.226 4.359 3.423
498 2HB TYR 60 1HB TYR 60 -5.597 4.068 2.364
499 HD1 TYR 60 HD1 TYR 60 -2.994 6.439 3.312
500 HD2 TYR 60 HD2 TYR 60 -6.417 5.830 0.871
501 HE1 TYR 60 HE1 TYR 60 -2.358 8.388 1.957
502 HE2 TYR 60 HE2 TYR 60 -5.796 7.782 -0.493
503 HH TYR 60 HH TYR 60 -4.478 9.820 -0.315
504 H GLY 61 H GLY 61 -6.277 4.904 6.727
505 1HA GLY 61 2HA GLY 61 -5.457 2.174 6.904
506 2HA GLY 61 1HA GLY 61 -5.977 3.193 8.234
507 H LEU 62 H LEU 62 -8.523 3.666 6.586
508 HA LEU 62 HA LEU 62 -10.676 2.989 7.004
509 1HB LEU 62 2HB LEU 62 -10.609 0.425 5.838
510 2HB LEU 62 1HB LEU 62 -11.105 1.938 5.108
511 HG LEU 62 HG LEU 62 -8.448 2.148 4.774
512 1HD1 LEU 62 1HD1 LEU 62 -7.537 -0.003 4.064
513 2HD1 LEU 62 2HD1 LEU 62 -8.996 -0.812 4.641
514 3HD1 LEU 62 3HD1 LEU 62 -7.930 0.005 5.786
515 1HD2 LEU 62 1HD2 LEU 62 -8.791 1.409 2.496
516 2HD2 LEU 62 2HD2 LEU 62 -10.159 2.374 3.057
517 3HD2 LEU 62 3HD2 LEU 62 -10.297 0.617 2.963
518 H SER 63 H SER 63 -10.099 -0.391 6.972
519 HA SER 63 HA SER 63 -10.303 -0.472 9.908
520 1HB SER 63 2HB SER 63 -11.107 -2.614 7.916
521 2HB SER 63 1HB SER 63 -11.352 -2.663 9.664
522 HG SER 63 HG SER 63 -12.536 -0.856 7.803
523 H ASP 64 H ASP 64 -8.719 -1.574 11.025
524 HA ASP 64 HA ASP 64 -6.221 -1.720 9.758
525 1HB ASP 64 2HB ASP 64 -5.323 -2.472 11.841
526 2HB ASP 64 1HB ASP 64 -6.580 -1.295 12.202
527 H GLU 65 H GLU 65 -8.526 -4.261 10.619
528 HA GLU 65 HA GLU 65 -6.811 -6.408 9.857
529 1HB GLU 65 2HB GLU 65 -8.804 -6.613 11.375
530 2HB GLU 65 1HB GLU 65 -9.834 -6.409 9.964
531 1HG GLU 65 2HG GLU 65 -9.699 -8.730 10.425
532 2HG GLU 65 1HG GLU 65 -8.741 -8.424 8.978
533 H GLU 66 H GLU 66 -9.148 -4.387 8.241
534 HA GLU 66 HA GLU 66 -9.421 -5.799 5.831
535 1HB GLU 66 2HB GLU 66 -10.853 -3.889 6.566
536 2HB GLU 66 1HB GLU 66 -9.502 -2.808 6.276
537 1HG GLU 66 2HG GLU 66 -9.554 -3.271 3.927
538 2HG GLU 66 1HG GLU 66 -10.786 -4.512 4.158
539 H PHE 67 H PHE 67 -7.246 -3.178 6.780
540 HA PHE 67 HA PHE 67 -5.777 -2.978 4.405
541 1HB PHE 67 2HB PHE 67 -5.799 -1.405 6.416
542 2HB PHE 67 1HB PHE 67 -4.673 -2.519 7.180
543 HD1 PHE 67 HD1 PHE 67 -5.126 -0.008 4.577
544 HD2 PHE 67 HD2 PHE 67 -2.387 -2.719 6.387
545 HE1 PHE 67 HE1 PHE 67 -3.256 1.155 3.479
546 HE2 PHE 67 HE2 PHE 67 -0.513 -1.559 5.294
547 HZ PHE 67 HZ PHE 67 -0.945 0.377 3.835
548 H ASN 68 H ASN 68 -5.323 -4.978 7.288
549 HA ASN 68 HA ASN 68 -2.886 -6.175 6.566
550 1HB ASN 68 2HB ASN 68 -5.149 -7.171 8.300
551 2HB ASN 68 1HB ASN 68 -3.640 -8.051 8.101
552 1HD2 ASN 68 1HD2 ASN 68 -4.851 -6.871 10.474
553 2HD2 ASN 68 2HD2 ASN 68 -3.678 -5.774 11.114
554 H SER 69 H SER 69 -6.223 -7.032 5.810
555 HA SER 69 HA SER 69 -5.698 -9.563 4.713
556 1HB SER 69 2HB SER 69 -7.949 -7.637 4.101
557 2HB SER 69 1HB SER 69 -7.920 -9.344 3.660
558 HG SER 69 HG SER 69 -7.364 -9.145 6.262
559 H TRP 70 H TRP 70 -5.432 -6.348 3.349
560 HA TRP 70 HA TRP 70 -5.220 -7.175 0.632
561 1HB TRP 70 2HB TRP 70 -4.081 -4.708 1.963
562 2HB TRP 70 1HB TRP 70 -4.275 -4.948 0.232
563 HD1 TRP 70 HD1 TRP 70 -7.362 -6.305 1.242
564 HE1 TRP 70 HE1 TRP 70 -9.246 -4.554 1.392
565 HE3 TRP 70 HE3 TRP 70 -4.521 -2.060 1.331
566 HZ2 TRP 70 HZ2 TRP 70 -9.490 -1.750 1.511
567 HZ3 TRP 70 HZ3 TRP 70 -5.654 0.114 1.461
568 HH2 TRP 70 HH2 TRP 70 -8.088 0.265 1.548
569 H VAL 71 H VAL 71 -2.868 -6.406 3.161
570 HA VAL 71 HA VAL 71 -0.555 -6.943 1.641
571 HB VAL 71 HB VAL 71 -0.850 -7.222 4.635
572 1HG1 VAL 71 1HG1 VAL 71 1.568 -6.646 2.924
573 2HG1 VAL 71 2HG1 VAL 71 1.215 -8.171 3.737
574 3HG1 VAL 71 3HG1 VAL 71 1.542 -6.719 4.686
575 1HG2 VAL 71 1HG2 VAL 71 -0.198 -4.782 2.989
576 2HG2 VAL 71 2HG2 VAL 71 -0.093 -4.882 4.747
577 3HG2 VAL 71 3HG2 VAL 71 -1.656 -5.044 3.947
578 H SER 72 H SER 72 -2.594 -8.970 3.683
579 HA SER 72 HA SER 72 -0.992 -11.274 3.696
580 1HB SER 72 2HB SER 72 -2.944 -10.918 5.190
581 2HB SER 72 1HB SER 72 -4.017 -11.120 3.807
582 HG SER 72 HG SER 72 -2.315 -13.188 3.915
583 H ALA 73 H ALA 73 -3.335 -10.070 1.357
584 HA ALA 73 HA ALA 73 -3.385 -12.437 -0.241
585 1HB ALA 73 1HB ALA 73 -4.490 -11.032 -1.919
586 2HB ALA 73 2HB ALA 73 -4.102 -9.595 -0.973
587 3HB ALA 73 3HB ALA 73 -5.205 -10.809 -0.322
588 H LEU 74 H LEU 74 -1.405 -9.591 -0.075
589 HA LEU 74 HA LEU 74 -0.009 -10.115 -2.548
590 1HB LEU 74 2HB LEU 74 0.412 -8.133 -0.320
591 2HB LEU 74 1HB LEU 74 1.438 -8.219 -1.738
592 HG LEU 74 HG LEU 74 -1.528 -7.689 -1.837
593 1HD1 LEU 74 1HD1 LEU 74 -0.899 -5.366 -2.295
594 2HD1 LEU 74 2HD1 LEU 74 0.791 -5.772 -1.987
595 3HD1 LEU 74 3HD1 LEU 74 -0.395 -5.884 -0.686
596 1HD2 LEU 74 1HD2 LEU 74 0.642 -7.450 -3.919
597 2HD2 LEU 74 2HD2 LEU 74 -1.049 -6.999 -4.134
598 3HD2 LEU 74 3HD2 LEU 74 -0.615 -8.688 -3.866
599 H ALA 75 H ALA 75 0.165 -11.288 0.590
600 HA ALA 75 HA ALA 75 3.012 -11.549 0.788
601 1HB ALA 75 1HB ALA 75 1.639 -11.362 2.792
602 2HB ALA 75 2HB ALA 75 2.540 -12.878 2.788
603 3HB ALA 75 3HB ALA 75 0.822 -12.872 2.388
604 H GLU 76 H GLU 76 0.356 -13.883 0.377
605 HA GLU 76 HA GLU 76 0.221 -15.934 -0.582
606 1HB GLU 76 2HB GLU 76 1.327 -14.837 -2.536
607 2HB GLU 76 1HB GLU 76 2.883 -15.334 -1.883
608 1HG GLU 76 2HG GLU 76 1.653 -17.705 -1.905
609 2HG GLU 76 1HG GLU 76 0.790 -16.924 -3.227
610 H HIS 77 H HIS 77 3.659 -15.424 0.114
611 HA HIS 77 HA HIS 77 3.711 -17.997 1.521
612 1HB HIS 77 2HB HIS 77 6.183 -17.835 1.322
613 2HB HIS 77 1HB HIS 77 5.375 -17.826 -0.239
614 HD1 HIS 77 HD1 HIS 77 7.671 -15.878 1.877
615 HD2 HIS 77 HD2 HIS 77 5.407 -15.258 -1.557
616 HE1 HIS 77 HE1 HIS 77 8.582 -13.780 0.833
617 HE2 HIS 77 HE2 HIS 77 7.046 -13.302 -1.103
618 H GLY 78 H GLY 78 3.442 -17.892 3.638
619 1HA GLY 78 2HA GLY 78 4.371 -15.442 5.010
620 2HA GLY 78 1HA GLY 78 2.868 -16.252 5.414
621 H LYS 79 H LYS 79 6.219 -17.385 4.916
622 HA LYS 79 HA LYS 79 6.016 -18.936 7.371
623 1HB LYS 79 2HB LYS 79 8.223 -18.696 5.316
624 2HB LYS 79 1HB LYS 79 8.367 -19.656 6.779
625 1HG LYS 79 2HG LYS 79 7.790 -21.217 5.177
626 2HG LYS 79 1HG LYS 79 6.244 -20.850 5.945
627 1HD LYS 79 2HD LYS 79 5.713 -19.305 4.121
628 2HD LYS 79 1HD LYS 79 7.257 -19.685 3.350
629 1HE LYS 79 2HE LYS 79 5.569 -20.979 2.268
630 2HE LYS 79 1HE LYS 79 6.525 -22.076 3.263
631 1HZ LYS 79 1HZ LYS 79 4.773 -21.873 4.989
632 2HZ LYS 79 2HZ LYS 79 4.228 -22.586 3.550
633 3HZ LYS 79 3HZ LYS 79 3.844 -20.971 3.894
634 H ASP 80 H ASP 80 8.017 -16.374 6.008
635 HA ASP 80 HA ASP 80 9.250 -15.809 8.568
636 1HB ASP 80 2HB ASP 80 9.516 -14.101 6.104
637 2HB ASP 80 1HB ASP 80 10.680 -14.352 7.401
638 H ALA 81 H ALA 81 6.832 -14.504 6.430
639 HA ALA 81 HA ALA 81 5.231 -12.913 6.621
640 1HB ALA 81 1HB ALA 81 4.782 -13.885 8.824
641 2HB ALA 81 2HB ALA 81 4.522 -12.141 8.814
642 3HB ALA 81 3HB ALA 81 5.984 -12.810 9.543
643 H LEU 82 H LEU 82 8.451 -12.307 7.421
644 HA LEU 82 HA LEU 82 8.101 -9.411 7.126
645 1HB LEU 82 2HB LEU 82 9.435 -10.245 9.048
646 2HB LEU 82 1HB LEU 82 10.547 -10.999 7.923
647 HG LEU 82 HG LEU 82 11.118 -8.753 7.032
648 1HD1 LEU 82 1HD1 LEU 82 10.442 -6.773 8.299
649 2HD1 LEU 82 2HD1 LEU 82 9.409 -7.776 9.315
650 3HD1 LEU 82 3HD1 LEU 82 9.050 -7.599 7.599
651 1HD2 LEU 82 1HD2 LEU 82 11.491 -9.129 10.004
652 2HD2 LEU 82 2HD2 LEU 82 12.439 -8.051 8.980
653 3HD2 LEU 82 3HD2 LEU 82 12.513 -9.794 8.731
654 H LYS 83 H LYS 83 8.748 -12.156 5.359
655 HA LYS 83 HA LYS 83 10.658 -10.973 3.522
656 1HB LYS 83 2HB LYS 83 10.702 -13.407 4.222
657 2HB LYS 83 1HB LYS 83 9.239 -13.633 3.278
658 1HG LYS 83 2HG LYS 83 10.413 -13.011 1.249
659 2HG LYS 83 1HG LYS 83 11.877 -12.680 2.174
660 1HD LYS 83 2HD LYS 83 10.517 -15.368 1.987
661 2HD LYS 83 1HD LYS 83 11.928 -14.880 1.048
662 1HE LYS 83 2HE LYS 83 13.193 -14.563 3.114
663 2HE LYS 83 1HE LYS 83 11.781 -15.040 4.055
664 1HZ LYS 83 1HZ LYS 83 13.298 -16.878 3.824
665 2HZ LYS 83 2HZ LYS 83 13.275 -16.746 2.137
666 3HZ LYS 83 3HZ LYS 83 11.875 -17.221 2.972
667 H VAL 84 H VAL 84 7.552 -10.428 3.983
668 HA VAL 84 HA VAL 84 6.427 -10.685 1.378
669 HB VAL 84 HB VAL 84 5.630 -8.834 3.638
670 1HG1 VAL 84 1HG1 VAL 84 4.089 -9.703 1.193
671 2HG1 VAL 84 2HG1 VAL 84 4.723 -8.088 1.508
672 3HG1 VAL 84 3HG1 VAL 84 3.443 -8.746 2.527
673 1HG2 VAL 84 1HG2 VAL 84 4.604 -11.567 2.903
674 2HG2 VAL 84 2HG2 VAL 84 3.932 -10.520 4.153
675 3HG2 VAL 84 3HG2 VAL 84 5.568 -11.156 4.322
676 H THR 85 H THR 85 6.753 -9.422 -0.357
677 HA THR 85 HA THR 85 8.995 -7.931 -0.655
678 HB THR 85 HB THR 85 6.466 -7.457 -2.235
679 HG1 THR 85 HG1 THR 85 8.076 -9.206 -3.432
680 1HG2 THR 85 1HG2 THR 85 9.383 -7.247 -3.012
681 2HG2 THR 85 2HG2 THR 85 8.294 -5.888 -2.734
682 3HG2 THR 85 3HG2 THR 85 8.007 -6.988 -4.082
683 H ALA 86 H ALA 86 5.751 -6.475 -0.198
684 HA ALA 86 HA ALA 86 6.711 -3.808 -0.331
685 1HB ALA 86 1HB ALA 86 4.480 -3.160 0.402
686 2HB ALA 86 2HB ALA 86 4.124 -4.834 0.825
687 3HB ALA 86 3HB ALA 86 4.399 -4.390 -0.859
688 H LEU 87 H LEU 87 6.486 -6.087 2.253
689 HA LEU 87 HA LEU 87 6.494 -4.024 4.310
690 1HB LEU 87 2HB LEU 87 5.153 -6.294 4.277
691 2HB LEU 87 1HB LEU 87 6.659 -6.961 4.871
692 HG LEU 87 HG LEU 87 5.004 -6.451 6.653
693 1HD1 LEU 87 1HD1 LEU 87 7.535 -4.826 6.814
694 2HD1 LEU 87 2HD1 LEU 87 7.382 -6.543 7.189
695 3HD1 LEU 87 3HD1 LEU 87 6.543 -5.344 8.177
696 1HD2 LEU 87 1HD2 LEU 87 3.975 -4.488 5.696
697 2HD2 LEU 87 2HD2 LEU 87 5.493 -3.598 5.821
698 3HD2 LEU 87 3HD2 LEU 87 4.645 -4.103 7.282
699 H LYS 88 H LYS 88 8.456 -6.624 3.013
700 HA LYS 88 HA LYS 88 10.629 -6.478 4.768
701 1HB LYS 88 2HB LYS 88 10.227 -8.291 3.104
702 2HB LYS 88 1HB LYS 88 10.672 -7.172 1.821
703 1HG LYS 88 2HG LYS 88 12.912 -6.965 2.799
704 2HG LYS 88 1HG LYS 88 12.457 -8.124 4.050
705 1HD LYS 88 2HD LYS 88 12.053 -9.819 2.333
706 2HD LYS 88 1HD LYS 88 12.505 -8.659 1.081
707 1HE LYS 88 2HE LYS 88 14.274 -9.748 3.266
708 2HE LYS 88 1HE LYS 88 14.369 -10.125 1.547
709 1HZ LYS 88 1HZ LYS 88 15.009 -7.570 2.892
710 2HZ LYS 88 2HZ LYS 88 14.758 -7.666 1.218
711 3HZ LYS 88 3HZ LYS 88 16.021 -8.538 1.938
712 H LYS 89 H LYS 89 9.825 -4.674 1.843
713 HA LYS 89 HA LYS 89 12.329 -3.282 1.773
714 1HB LYS 89 2HB LYS 89 9.711 -2.917 0.352
715 2HB LYS 89 1HB LYS 89 10.974 -1.699 0.230
716 1HG LYS 89 2HG LYS 89 11.284 -4.606 -0.505
717 2HG LYS 89 1HG LYS 89 11.027 -3.282 -1.643
718 1HD LYS 89 2HD LYS 89 13.121 -2.260 -0.993
719 2HD LYS 89 1HD LYS 89 13.360 -3.472 0.262
720 1HE LYS 89 2HE LYS 89 14.740 -4.009 -1.637
721 2HE LYS 89 1HE LYS 89 13.466 -5.216 -1.482
722 1HZ LYS 89 1HZ LYS 89 13.833 -4.498 -3.780
723 2HZ LYS 89 2HZ LYS 89 13.398 -2.915 -3.363
724 3HZ LYS 89 3HZ LYS 89 12.259 -4.161 -3.256
725 H TYR 90 H TYR 90 9.101 -2.534 3.005
726 HA TYR 90 HA TYR 90 9.741 0.102 3.863
727 1HB TYR 90 2HB TYR 90 7.442 -0.651 3.467
728 2HB TYR 90 1HB TYR 90 7.570 -1.804 4.785
729 HD1 TYR 90 HD1 TYR 90 7.633 1.842 4.036
730 HD2 TYR 90 HD2 TYR 90 6.931 -1.179 6.946
731 HE1 TYR 90 HE1 TYR 90 6.723 3.538 5.567
732 HE2 TYR 90 HE2 TYR 90 6.026 0.508 8.488
733 HH TYR 90 HH TYR 90 6.205 2.960 8.864
734 H ARG 91 H ARG 91 10.571 -2.959 5.100
735 HA ARG 91 HA ARG 91 10.996 -1.878 7.786
736 1HB ARG 91 2HB ARG 91 9.862 -4.114 7.416
737 2HB ARG 91 1HB ARG 91 11.424 -4.723 6.886
738 1HG ARG 91 2HG ARG 91 10.931 -5.261 9.232
739 2HG ARG 91 1HG ARG 91 12.384 -4.272 9.052
740 1HD ARG 91 2HD ARG 91 11.174 -2.292 9.689
741 2HD ARG 91 1HD ARG 91 9.655 -3.182 9.719
742 HE ARG 91 HE ARG 91 10.433 -4.343 11.669
743 1HH1 ARG 91 1HH1 ARG 91 12.404 -1.631 10.676
744 2HH1 ARG 91 2HH1 ARG 91 13.104 -1.385 12.244
745 1HH2 ARG 91 1HH2 ARG 91 11.331 -4.029 13.743
746 2HH2 ARG 91 2HH2 ARG 91 12.490 -2.749 13.998
747 H GLN 92 H GLN 92 12.754 -3.433 5.129
748 HA GLN 92 HA GLN 92 15.275 -3.413 6.452
749 1HB GLN 92 2HB GLN 92 14.634 -4.937 4.562
750 2HB GLN 92 1HB GLN 92 14.759 -3.561 3.476
751 1HG GLN 92 2HG GLN 92 17.122 -3.314 4.088
752 2HG GLN 92 1HG GLN 92 16.987 -4.728 5.130
753 1HE2 GLN 92 1HE2 GLN 92 18.438 -5.973 4.058
754 2HE2 GLN 92 2HE2 GLN 92 18.190 -6.573 2.452
755 H LEU 93 H LEU 93 13.635 -1.174 4.298
756 HA LEU 93 HA LEU 93 15.826 0.343 3.457
757 1HB LEU 93 2HB LEU 93 13.582 0.437 2.455
758 2HB LEU 93 1HB LEU 93 12.981 1.245 3.886
759 HG LEU 93 HG LEU 93 14.563 3.128 3.402
760 1HD1 LEU 93 1HD1 LEU 93 14.934 1.624 0.817
761 2HD1 LEU 93 2HD1 LEU 93 16.169 1.921 2.042
762 3HD1 LEU 93 3HD1 LEU 93 15.486 3.269 1.131
763 1HD2 LEU 93 1HD2 LEU 93 12.194 3.225 2.796
764 2HD2 LEU 93 2HD2 LEU 93 12.560 2.473 1.245
765 3HD2 LEU 93 3HD2 LEU 93 13.196 4.075 1.620
766 H LEU 94 H LEU 94 14.082 0.380 6.465
767 HA LEU 94 HA LEU 94 14.881 2.973 7.309
768 1HB LEU 94 2HB LEU 94 13.718 0.586 8.677
769 2HB LEU 94 1HB LEU 94 14.367 1.893 9.648
770 HG LEU 94 HG LEU 94 12.800 3.468 8.585
771 1HD1 LEU 94 1HD1 LEU 94 12.541 2.383 6.420
772 2HD1 LEU 94 2HD1 LEU 94 10.973 2.644 7.184
773 3HD1 LEU 94 3HD1 LEU 94 11.697 1.036 7.183
774 1HD2 LEU 94 1HD2 LEU 94 10.765 2.636 9.634
775 2HD2 LEU 94 2HD2 LEU 94 12.172 2.345 10.657
776 3HD2 LEU 94 3HD2 LEU 94 11.467 1.022 9.730
777 H GLU 95 H GLU 95 16.467 -0.088 7.273
778 HA GLU 95 HA GLU 95 18.566 0.899 9.068
779 1HB GLU 95 2HB GLU 95 17.614 -1.784 8.282
780 2HB GLU 95 1HB GLU 95 19.359 -1.623 8.418
781 1HG GLU 95 2HG GLU 95 18.349 -2.427 10.486
782 2HG GLU 95 1HG GLU 95 19.149 -0.873 10.705
783 H HIS 96 H HIS 96 19.494 2.389 7.683
784 HA HIS 96 HA HIS 96 20.970 3.169 6.156
785 1HB HIS 96 2HB HIS 96 21.602 0.245 5.758
786 2HB HIS 96 1HB HIS 96 22.442 1.537 4.912
787 HD1 HIS 96 HD1 HIS 96 24.140 2.925 6.243
788 HD2 HIS 96 HD2 HIS 96 22.235 -0.023 8.480
789 HE1 HIS 96 HE1 HIS 96 25.440 2.754 8.393
790 HE2 HIS 96 HE2 HIS 96 24.394 0.820 9.634
791 H HIS 97 H HIS 97 19.788 4.180 4.682
792 HA HIS 97 HA HIS 97 17.967 2.931 2.916
793 1HB HIS 97 2HB HIS 97 19.314 5.626 2.593
794 2HB HIS 97 1HB HIS 97 17.856 5.090 1.767
795 HD1 HIS 97 HD1 HIS 97 18.686 7.338 4.261
796 HD2 HIS 97 HD2 HIS 97 15.912 4.237 4.091
797 HE1 HIS 97 HE1 HIS 97 16.965 7.864 6.017
798 HE2 HIS 97 HE2 HIS 97 15.428 5.866 6.041
799 H HIS 98 H HIS 98 20.919 4.685 2.071
800 HA HIS 98 HA HIS 98 22.037 2.518 0.557
801 1HB HIS 98 2HB HIS 98 20.811 4.877 -0.872
802 2HB HIS 98 1HB HIS 98 22.203 4.047 -1.549
803 HD1 HIS 98 HD1 HIS 98 21.544 1.158 -1.323
804 HD2 HIS 98 HD2 HIS 98 18.646 4.010 -2.211
805 HE1 HIS 98 HE1 HIS 98 19.707 -0.084 -2.504
806 HE2 HIS 98 HE2 HIS 98 18.080 1.700 -3.235
807 H HIS 99 H HIS 99 23.814 4.047 -0.999
808 HA HIS 99 HA HIS 99 24.743 6.286 0.554
809 1HB HIS 99 2HB HIS 99 25.840 4.216 1.567
810 2HB HIS 99 1HB HIS 99 26.721 4.065 0.050
811 HD1 HIS 99 HD1 HIS 99 28.804 5.426 -0.187
812 HD2 HIS 99 HD2 HIS 99 26.422 6.704 2.975
813 HE1 HIS 99 HE1 HIS 99 30.160 7.171 1.023
814 HE2 HIS 99 HE2 HIS 99 28.664 7.994 2.884
815 H HIS 100 H HIS 100 24.838 7.741 -0.957
816 HA HIS 100 HA HIS 100 25.230 7.098 -3.720
817 1HB HIS 100 2HB HIS 100 23.698 8.873 -3.081
818 2HB HIS 100 1HB HIS 100 24.994 9.751 -2.283
819 HD1 HIS 100 HD1 HIS 100 25.302 11.795 -3.635
820 HD2 HIS 100 HD2 HIS 100 24.922 8.404 -6.015
821 HE1 HIS 100 HE1 HIS 100 25.691 12.573 -5.996
822 HE2 HIS 100 HE2 HIS 100 25.564 10.490 -7.412
823 H HIS 101 H HIS 101 27.051 6.954 -4.776
824 HA HIS 101 HA HIS 101 29.376 8.505 -3.901
825 1HB HIS 101 2HB HIS 101 30.862 6.569 -4.306
826 2HB HIS 101 1HB HIS 101 29.737 6.274 -2.989
827 HD1 HIS 101 HD1 HIS 101 27.896 4.478 -3.379
828 HD2 HIS 101 HD2 HIS 101 30.599 4.885 -6.515
829 HE1 HIS 101 HE1 HIS 101 27.559 2.451 -4.834
830 HE2 HIS 101 HE2 HIS 101 29.084 2.805 -6.811
Start of MODEL 2
1 1H MET 1 1H MET 1 4.139 11.435 -29.139
2 2H MET 1 2H MET 1 3.960 9.895 -28.446
3 3H MET 1 3H MET 1 5.318 10.841 -28.072
4 HA MET 1 HA MET 1 2.509 11.465 -27.370
5 1HB MET 1 2HB MET 1 3.470 9.632 -26.036
6 2HB MET 1 1HB MET 1 4.859 10.637 -25.648
7 1HG MET 1 2HG MET 1 3.303 10.550 -23.796
8 2HG MET 1 1HG MET 1 3.417 12.185 -24.444
9 1HE MET 1 1HE MET 1 1.221 8.940 -24.167
10 2HE MET 1 2HE MET 1 1.467 9.093 -25.906
11 3HE MET 1 3HE MET 1 -0.138 9.338 -25.219
12 H MET 2 H MET 2 2.132 13.562 -27.061
13 HA MET 2 HA MET 2 4.371 15.418 -27.169
14 1HB MET 2 2HB MET 2 1.381 15.879 -27.188
15 2HB MET 2 1HB MET 2 2.585 17.155 -27.313
16 1HG MET 2 2HG MET 2 3.418 16.172 -29.382
17 2HG MET 2 1HG MET 2 2.219 14.887 -29.256
18 1HE MET 2 1HE MET 2 2.654 16.756 -31.814
19 2HE MET 2 2HE MET 2 0.983 17.080 -32.278
20 3HE MET 2 3HE MET 2 1.459 15.462 -31.760
21 H PHE 3 H PHE 3 4.817 16.959 -25.585
22 HA PHE 3 HA PHE 3 3.821 16.196 -22.928
23 1HB PHE 3 2HB PHE 3 6.499 17.269 -23.803
24 2HB PHE 3 1HB PHE 3 6.010 17.185 -22.113
25 HD1 PHE 3 HD1 PHE 3 7.111 15.302 -25.019
26 HD2 PHE 3 HD2 PHE 3 5.656 15.019 -21.030
27 HE1 PHE 3 HE1 PHE 3 7.846 12.956 -24.922
28 HE2 PHE 3 HE2 PHE 3 6.389 12.674 -20.925
29 HZ PHE 3 HZ PHE 3 7.487 11.639 -22.873
30 H LEU 4 H LEU 4 2.690 18.211 -24.834
31 HA LEU 4 HA LEU 4 2.993 20.704 -23.403
32 1HB LEU 4 2HB LEU 4 0.941 19.873 -25.470
33 2HB LEU 4 1HB LEU 4 1.159 21.500 -24.851
34 HG LEU 4 HG LEU 4 3.170 19.948 -26.489
35 1HD1 LEU 4 1HD1 LEU 4 1.273 20.695 -27.807
36 2HD1 LEU 4 2HD1 LEU 4 2.709 21.637 -28.204
37 3HD1 LEU 4 3HD1 LEU 4 1.456 22.330 -27.176
38 1HD2 LEU 4 1HD2 LEU 4 4.252 21.420 -24.860
39 2HD2 LEU 4 2HD2 LEU 4 3.282 22.776 -25.438
40 3HD2 LEU 4 3HD2 LEU 4 4.463 22.016 -26.505
41 H ARG 5 H ARG 5 2.590 19.605 -21.358
42 HA ARG 5 HA ARG 5 -0.034 19.795 -20.329
43 1HB ARG 5 2HB ARG 5 -0.608 17.833 -21.508
44 2HB ARG 5 1HB ARG 5 0.963 17.103 -21.244
45 1HG ARG 5 2HG ARG 5 0.407 16.723 -18.906
46 2HG ARG 5 1HG ARG 5 -1.164 17.492 -19.150
47 1HD ARG 5 2HD ARG 5 -1.072 14.934 -19.239
48 2HD ARG 5 1HD ARG 5 -1.926 15.766 -20.539
49 HE ARG 5 HE ARG 5 0.795 15.344 -21.220
50 1HH1 ARG 5 1HH1 ARG 5 -2.233 13.620 -20.882
51 2HH1 ARG 5 2HH1 ARG 5 -1.862 12.482 -22.152
52 1HH2 ARG 5 1HH2 ARG 5 1.264 13.858 -22.906
53 2HH2 ARG 5 2HH2 ARG 5 0.109 12.623 -23.293
54 H LYS 6 H LYS 6 -0.003 19.390 -17.997
55 HA LYS 6 HA LYS 6 2.634 19.855 -16.968
56 1HB LYS 6 2HB LYS 6 1.571 20.079 -14.769
57 2HB LYS 6 1HB LYS 6 0.775 21.059 -15.985
58 1HG LYS 6 2HG LYS 6 -1.075 19.543 -16.091
59 2HG LYS 6 1HG LYS 6 -0.244 18.385 -15.048
60 1HD LYS 6 2HD LYS 6 -0.210 20.163 -13.268
61 2HD LYS 6 1HD LYS 6 -1.259 21.127 -14.310
62 1HE LYS 6 2HE LYS 6 -2.946 19.385 -14.261
63 2HE LYS 6 1HE LYS 6 -1.892 18.366 -13.280
64 1HZ LYS 6 1HZ LYS 6 -3.018 20.998 -12.471
65 2HZ LYS 6 2HZ LYS 6 -1.976 20.047 -11.528
66 3HZ LYS 6 3HZ LYS 6 -3.529 19.480 -11.911
67 H VAL 7 H VAL 7 3.815 18.036 -17.378
68 HA VAL 7 HA VAL 7 3.091 15.644 -15.821
69 HB VAL 7 HB VAL 7 5.198 15.740 -17.990
70 1HG1 VAL 7 1HG1 VAL 7 5.303 13.819 -16.497
71 2HG1 VAL 7 2HG1 VAL 7 4.780 13.319 -18.105
72 3HG1 VAL 7 3HG1 VAL 7 3.603 13.468 -16.801
73 1HG2 VAL 7 1HG2 VAL 7 3.102 16.466 -18.991
74 2HG2 VAL 7 2HG2 VAL 7 2.280 15.058 -18.318
75 3HG2 VAL 7 3HG2 VAL 7 3.529 14.847 -19.544
76 H GLU 8 H GLU 8 4.332 18.187 -14.947
77 HA GLU 8 HA GLU 8 7.074 17.505 -14.302
78 1HB GLU 8 2HB GLU 8 5.420 19.859 -13.374
79 2HB GLU 8 1HB GLU 8 7.164 19.688 -13.231
80 1HG GLU 8 2HG GLU 8 7.377 19.750 -15.657
81 2HG GLU 8 1HG GLU 8 5.625 19.893 -15.813
82 H GLY 9 H GLY 9 6.932 15.717 -12.976
83 1HA GLY 9 2HA GLY 9 6.652 14.530 -11.031
84 2HA GLY 9 1HA GLY 9 6.640 16.091 -10.224
85 HA PRO 10 HA PRO 10 2.038 15.239 -11.066
86 1HB PRO 10 2HB PRO 10 1.594 12.810 -12.504
87 2HB PRO 10 1HB PRO 10 1.352 14.460 -13.069
88 1HG PRO 10 2HG PRO 10 3.270 12.713 -14.034
89 2HG PRO 10 1HG PRO 10 3.309 14.476 -14.209
90 1HD PRO 10 2HD PRO 10 4.763 12.724 -12.277
91 2HD PRO 10 1HD PRO 10 5.300 14.216 -13.081
92 H ARG 11 H ARG 11 4.143 13.223 -9.644
93 HA ARG 11 HA ARG 11 4.071 11.773 -7.915
94 1HB ARG 11 2HB ARG 11 1.247 12.777 -7.833
95 2HB ARG 11 1HB ARG 11 1.755 11.466 -6.774
96 1HG ARG 11 2HG ARG 11 3.044 14.186 -6.916
97 2HG ARG 11 1HG ARG 11 1.905 13.649 -5.675
98 1HD ARG 11 2HD ARG 11 3.413 12.018 -4.867
99 2HD ARG 11 1HD ARG 11 4.464 12.189 -6.269
100 HE ARG 11 HE ARG 11 4.486 14.663 -5.118
101 1HH1 ARG 11 1HH1 ARG 11 5.135 11.418 -3.969
102 2HH1 ARG 11 2HH1 ARG 11 6.344 11.915 -2.832
103 1HH2 ARG 11 1HH2 ARG 11 6.110 15.319 -3.641
104 2HH2 ARG 11 2HH2 ARG 11 6.906 14.131 -2.649
105 H SER 12 H SER 12 3.836 10.893 -10.573
106 HA SER 12 HA SER 12 2.284 8.438 -10.375
107 1HB SER 12 2HB SER 12 3.309 8.062 -12.689
108 2HB SER 12 1HB SER 12 2.223 9.445 -12.541
109 HG SER 12 HG SER 12 5.055 9.591 -12.327
110 H VAL 13 H VAL 13 3.197 6.839 -9.207
111 HA VAL 13 HA VAL 13 6.091 6.881 -8.817
112 HB VAL 13 HB VAL 13 5.675 5.213 -7.021
113 1HG1 VAL 13 1HG1 VAL 13 5.796 7.593 -6.512
114 2HG1 VAL 13 2HG1 VAL 13 4.641 6.777 -5.456
115 3HG1 VAL 13 3HG1 VAL 13 4.065 7.755 -6.810
116 1HG2 VAL 13 1HG2 VAL 13 3.620 4.226 -7.915
117 2HG2 VAL 13 2HG2 VAL 13 2.764 5.741 -7.623
118 3HG2 VAL 13 3HG2 VAL 13 3.391 4.805 -6.263
119 H THR 14 H THR 14 7.417 5.111 -9.130
120 HA THR 14 HA THR 14 6.427 3.176 -11.095
121 HB THR 14 HB THR 14 9.291 3.657 -10.252
122 HG1 THR 14 HG1 THR 14 7.621 5.034 -12.038
123 1HG2 THR 14 1HG2 THR 14 8.093 2.394 -12.724
124 2HG2 THR 14 2HG2 THR 14 8.845 1.523 -11.387
125 3HG2 THR 14 3HG2 THR 14 9.814 2.598 -12.394
126 H LEU 15 H LEU 15 5.788 1.290 -10.332
127 HA LEU 15 HA LEU 15 6.555 0.387 -7.694
128 1HB LEU 15 2HB LEU 15 4.800 -0.877 -9.802
129 2HB LEU 15 1HB LEU 15 4.962 -1.436 -8.145
130 HG LEU 15 HG LEU 15 3.856 1.249 -8.974
131 1HD1 LEU 15 1HD1 LEU 15 2.359 -0.566 -9.577
132 2HD1 LEU 15 2HD1 LEU 15 1.711 0.364 -8.225
133 3HD1 LEU 15 3HD1 LEU 15 2.459 -1.206 -7.936
134 1HD2 LEU 15 1HD2 LEU 15 4.949 1.348 -6.809
135 2HD2 LEU 15 2HD2 LEU 15 4.046 -0.067 -6.267
136 3HD2 LEU 15 3HD2 LEU 15 3.198 1.440 -6.617
137 HA PRO 16 HA PRO 16 9.815 -2.321 -8.762
138 1HB PRO 16 2HB PRO 16 9.386 -4.539 -7.271
139 2HB PRO 16 1HB PRO 16 9.868 -2.993 -6.567
140 1HG PRO 16 2HG PRO 16 7.140 -4.218 -6.754
141 2HG PRO 16 1HG PRO 16 7.910 -3.402 -5.379
142 1HD PRO 16 2HD PRO 16 6.124 -2.160 -6.985
143 2HD PRO 16 1HD PRO 16 7.474 -1.298 -6.217
144 H ASP 17 H ASP 17 6.708 -3.122 -9.677
145 HA ASP 17 HA ASP 17 7.586 -5.505 -11.148
146 1HB ASP 17 2HB ASP 17 5.058 -5.749 -11.571
147 2HB ASP 17 1HB ASP 17 5.660 -6.086 -9.952
148 H GLY 18 H GLY 18 7.398 -2.281 -11.576
149 1HA GLY 18 2HA GLY 18 8.108 -1.385 -13.674
150 2HA GLY 18 1HA GLY 18 7.225 -2.668 -14.485
151 H SER 19 H SER 19 5.082 -1.842 -12.267
152 HA SER 19 HA SER 19 3.531 -0.347 -14.143
153 1HB SER 19 2HB SER 19 2.915 -0.960 -11.246
154 2HB SER 19 1HB SER 19 1.760 -0.481 -12.491
155 HG SER 19 HG SER 19 2.986 -2.933 -12.020
156 H ILE 20 H ILE 20 3.346 1.783 -14.351
157 HA ILE 20 HA ILE 20 4.314 3.489 -12.162
158 HB ILE 20 HB ILE 20 4.004 5.355 -13.902
159 1HG1 ILE 20 2HG1 ILE 20 4.080 2.974 -15.773
160 2HG1 ILE 20 1HG1 ILE 20 2.672 3.996 -15.496
161 1HG2 ILE 20 1HG2 ILE 20 6.218 4.922 -14.860
162 2HG2 ILE 20 2HG2 ILE 20 6.133 3.255 -14.289
163 3HG2 ILE 20 3HG2 ILE 20 6.165 4.584 -13.129
164 1HD1 ILE 20 1HD1 ILE 20 3.908 5.912 -16.393
165 2HD1 ILE 20 2HD1 ILE 20 3.778 4.596 -17.560
166 3HD1 ILE 20 3HD1 ILE 20 5.293 4.863 -16.697
167 H MET 21 H MET 21 2.770 3.926 -10.751
168 HA MET 21 HA MET 21 0.035 4.334 -11.772
169 1HB MET 21 2HB MET 21 0.563 2.303 -10.254
170 2HB MET 21 1HB MET 21 0.666 3.486 -8.956
171 1HG MET 21 2HG MET 21 -1.621 4.195 -9.410
172 2HG MET 21 1HG MET 21 -1.727 3.019 -10.719
173 1HE MET 21 1HE MET 21 -1.428 1.991 -6.238
174 2HE MET 21 2HE MET 21 -1.710 3.615 -6.866
175 3HE MET 21 3HE MET 21 -0.151 2.828 -7.121
176 H THR 22 H THR 22 -0.876 6.226 -11.404
177 HA THR 22 HA THR 22 0.580 8.203 -9.821
178 HB THR 22 HB THR 22 -1.927 8.740 -11.401
179 HG1 THR 22 HG1 THR 22 -0.637 7.699 -12.886
180 1HG2 THR 22 1HG2 THR 22 0.538 10.376 -10.786
181 2HG2 THR 22 2HG2 THR 22 -1.049 10.561 -10.039
182 3HG2 THR 22 3HG2 THR 22 -0.833 10.924 -11.752
183 H ARG 23 H ARG 23 -0.827 9.726 -8.451
184 HA ARG 23 HA ARG 23 -2.241 8.253 -6.516
185 1HB ARG 23 2HB ARG 23 -1.083 10.482 -6.175
186 2HB ARG 23 1HB ARG 23 -2.485 11.233 -6.926
187 1HG ARG 23 2HG ARG 23 -3.913 10.218 -5.182
188 2HG ARG 23 1HG ARG 23 -2.463 9.591 -4.403
189 1HD ARG 23 2HD ARG 23 -3.142 11.604 -3.289
190 2HD ARG 23 1HD ARG 23 -1.640 11.910 -4.161
191 HE ARG 23 HE ARG 23 -2.753 13.389 -5.529
192 1HH1 ARG 23 1HH1 ARG 23 -5.095 11.600 -3.624
193 2HH1 ARG 23 2HH1 ARG 23 -6.424 12.641 -4.039
194 1HH2 ARG 23 1HH2 ARG 23 -4.498 14.760 -6.085
195 2HH2 ARG 23 2HH2 ARG 23 -6.091 14.416 -5.470
196 H ALA 24 H ALA 24 -3.242 9.169 -9.564
197 HA ALA 24 HA ALA 24 -5.983 9.714 -9.124
198 1HB ALA 24 1HB ALA 24 -4.867 10.223 -11.241
199 2HB ALA 24 2HB ALA 24 -6.265 9.179 -11.495
200 3HB ALA 24 3HB ALA 24 -4.637 8.501 -11.540
201 H ASP 25 H ASP 25 -4.088 6.843 -9.012
202 HA ASP 25 HA ASP 25 -6.469 5.134 -9.020
203 1HB ASP 25 2HB ASP 25 -3.522 4.556 -9.164
204 2HB ASP 25 1HB ASP 25 -4.690 3.290 -8.804
205 H LEU 26 H LEU 26 -4.711 6.912 -6.898
206 HA LEU 26 HA LEU 26 -4.804 5.079 -4.659
207 1HB LEU 26 2HB LEU 26 -3.789 7.852 -5.091
208 2HB LEU 26 1HB LEU 26 -4.193 7.365 -3.458
209 HG LEU 26 HG LEU 26 -1.815 7.109 -3.888
210 1HD1 LEU 26 1HD1 LEU 26 -3.274 4.491 -3.600
211 2HD1 LEU 26 2HD1 LEU 26 -2.823 5.604 -2.308
212 3HD1 LEU 26 3HD1 LEU 26 -1.573 4.755 -3.218
213 1HD2 LEU 26 1HD2 LEU 26 -2.616 5.136 -6.020
214 2HD2 LEU 26 2HD2 LEU 26 -0.973 5.476 -5.478
215 3HD2 LEU 26 3HD2 LEU 26 -1.907 6.728 -6.296
216 HA PRO 27 HA PRO 27 -9.042 6.333 -3.841
217 1HB PRO 27 2HB PRO 27 -8.747 4.468 -1.589
218 2HB PRO 27 1HB PRO 27 -9.870 4.406 -2.945
219 1HG PRO 27 2HG PRO 27 -7.847 2.666 -2.722
220 2HG PRO 27 1HG PRO 27 -8.378 3.274 -4.299
221 1HD PRO 27 2HD PRO 27 -6.037 4.134 -2.635
222 2HD PRO 27 1HD PRO 27 -6.121 3.836 -4.386
223 HA PRO 28 HA PRO 28 -7.579 9.303 -0.723
224 1HB PRO 28 2HB PRO 28 -10.258 10.451 -1.236
225 2HB PRO 28 1HB PRO 28 -8.670 11.221 -1.327
226 1HG PRO 28 2HG PRO 28 -10.052 10.636 -3.540
227 2HG PRO 28 1HG PRO 28 -8.285 10.480 -3.484
228 1HD PRO 28 2HD PRO 28 -10.386 8.352 -3.303
229 2HD PRO 28 1HD PRO 28 -8.831 8.332 -4.164
230 H ALA 29 H ALA 29 -10.937 8.209 -0.908
231 HA ALA 29 HA ALA 29 -10.878 6.872 1.587
232 1HB ALA 29 1HB ALA 29 -11.001 9.138 2.494
233 2HB ALA 29 2HB ALA 29 -12.502 8.264 2.798
234 3HB ALA 29 3HB ALA 29 -12.426 9.468 1.510
235 H ASN 30 H ASN 30 -12.886 8.575 -0.770
236 HA ASN 30 HA ASN 30 -14.679 6.243 -0.843
237 1HB ASN 30 2HB ASN 30 -15.303 9.151 -1.409
238 2HB ASN 30 1HB ASN 30 -16.414 7.823 -1.726
239 1HD2 ASN 30 1HD2 ASN 30 -17.477 6.856 -0.044
240 2HD2 ASN 30 2HD2 ASN 30 -17.456 7.480 1.572
241 H THR 31 H THR 31 -13.133 5.331 -2.317
242 HA THR 31 HA THR 31 -12.928 6.487 -4.959
243 HB THR 31 HB THR 31 -11.086 5.133 -3.954
244 HG1 THR 31 HG1 THR 31 -10.957 5.301 -6.140
245 1HG2 THR 31 1HG2 THR 31 -11.274 2.673 -4.019
246 2HG2 THR 31 2HG2 THR 31 -12.983 2.832 -4.427
247 3HG2 THR 31 3HG2 THR 31 -12.394 3.400 -2.865
248 H ARG 32 H ARG 32 -13.388 4.674 -6.790
249 HA ARG 32 HA ARG 32 -16.248 4.298 -6.648
250 1HB ARG 32 2HB ARG 32 -14.293 3.713 -8.877
251 2HB ARG 32 1HB ARG 32 -16.039 3.554 -9.006
252 1HG ARG 32 2HG ARG 32 -16.220 5.984 -8.459
253 2HG ARG 32 1HG ARG 32 -14.462 6.077 -8.584
254 1HD ARG 32 2HD ARG 32 -15.501 6.756 -10.674
255 2HD ARG 32 1HD ARG 32 -14.589 5.261 -10.891
256 HE ARG 32 HE ARG 32 -16.757 4.079 -10.766
257 1HH1 ARG 32 1HH1 ARG 32 -16.683 7.474 -11.609
258 2HH1 ARG 32 2HH1 ARG 32 -18.217 7.439 -12.425
259 1HH2 ARG 32 1HH2 ARG 32 -18.784 4.023 -11.838
260 2HH2 ARG 32 2HH2 ARG 32 -19.409 5.478 -12.562
261 H ARG 33 H ARG 33 -16.110 2.769 -4.908
262 HA ARG 33 HA ARG 33 -16.449 0.705 -4.072
263 1HB ARG 33 2HB ARG 33 -17.617 0.295 -6.251
264 2HB ARG 33 1HB ARG 33 -16.112 -0.375 -6.868
265 1HG ARG 33 2HG ARG 33 -16.165 -2.130 -5.216
266 2HG ARG 33 1HG ARG 33 -17.595 -1.420 -4.464
267 1HD ARG 33 2HD ARG 33 -18.778 -1.729 -6.648
268 2HD ARG 33 1HD ARG 33 -17.375 -2.639 -7.207
269 HE ARG 33 HE ARG 33 -17.956 -3.969 -4.984
270 1HH1 ARG 33 1HH1 ARG 33 -20.093 -2.741 -7.462
271 2HH1 ARG 33 2HH1 ARG 33 -21.236 -4.038 -7.298
272 1HH2 ARG 33 1HH2 ARG 33 -19.459 -5.644 -4.726
273 2HH2 ARG 33 2HH2 ARG 33 -20.900 -5.674 -5.703
274 H TRP 34 H TRP 34 -15.195 -0.665 -2.999
275 HA TRP 34 HA TRP 34 -12.358 -0.595 -3.547
276 1HB TRP 34 2HB TRP 34 -13.959 -1.884 -1.334
277 2HB TRP 34 1HB TRP 34 -12.204 -1.933 -1.430
278 HD1 TRP 34 HD1 TRP 34 -15.063 0.285 -0.371
279 HE1 TRP 34 HE1 TRP 34 -14.118 2.458 0.638
280 HE3 TRP 34 HE3 TRP 34 -10.167 -0.271 -1.695
281 HZ2 TRP 34 HZ2 TRP 34 -11.616 3.759 0.841
282 HZ3 TRP 34 HZ3 TRP 34 -8.570 1.476 -1.059
283 HH2 TRP 34 HH2 TRP 34 -9.277 3.448 0.182
284 H VAL 35 H VAL 35 -12.550 -1.737 -5.604
285 HA VAL 35 HA VAL 35 -13.073 -4.581 -5.475
286 HB VAL 35 HB VAL 35 -12.400 -4.627 -7.845
287 1HG1 VAL 35 1HG1 VAL 35 -14.216 -3.232 -8.719
288 2HG1 VAL 35 2HG1 VAL 35 -14.327 -2.413 -7.160
289 3HG1 VAL 35 3HG1 VAL 35 -14.706 -4.131 -7.282
290 1HG2 VAL 35 1HG2 VAL 35 -11.858 -1.680 -7.464
291 2HG2 VAL 35 2HG2 VAL 35 -11.896 -2.516 -9.017
292 3HG2 VAL 35 3HG2 VAL 35 -10.665 -2.929 -7.822
293 H ALA 36 H ALA 36 -11.251 -5.933 -6.711
294 HA ALA 36 HA ALA 36 -9.180 -6.249 -4.872
295 1HB ALA 36 1HB ALA 36 -9.961 -8.033 -6.359
296 2HB ALA 36 2HB ALA 36 -8.213 -7.823 -6.456
297 3HB ALA 36 3HB ALA 36 -9.248 -7.192 -7.736
298 H SER 37 H SER 37 -9.139 -4.713 -8.073
299 HA SER 37 HA SER 37 -6.409 -4.081 -8.127
300 1HB SER 37 2HB SER 37 -8.703 -2.603 -9.436
301 2HB SER 37 1HB SER 37 -7.001 -2.468 -9.879
302 HG SER 37 HG SER 37 -8.523 -4.866 -9.954
303 H ARG 38 H ARG 38 -9.090 -2.480 -6.536
304 HA ARG 38 HA ARG 38 -7.668 -0.021 -6.113
305 1HB ARG 38 2HB ARG 38 -10.192 -1.108 -4.860
306 2HB ARG 38 1HB ARG 38 -9.533 0.480 -4.505
307 1HG ARG 38 2HG ARG 38 -10.396 -0.441 -7.239
308 2HG ARG 38 1HG ARG 38 -11.387 0.511 -6.136
309 1HD ARG 38 2HD ARG 38 -10.423 2.037 -7.675
310 2HD ARG 38 1HD ARG 38 -9.559 2.240 -6.154
311 HE ARG 38 HE ARG 38 -7.930 0.560 -7.364
312 1HH1 ARG 38 1HH1 ARG 38 -9.569 3.337 -8.711
313 2HH1 ARG 38 2HH1 ARG 38 -8.332 3.658 -9.883
314 1HH2 ARG 38 1HH2 ARG 38 -6.298 0.976 -8.924
315 2HH2 ARG 38 2HH2 ARG 38 -6.473 2.326 -10.008
316 H LYS 39 H LYS 39 -8.430 -2.862 -4.130
317 HA LYS 39 HA LYS 39 -7.358 -2.011 -1.707
318 1HB LYS 39 2HB LYS 39 -7.538 -4.755 -2.944
319 2HB LYS 39 1HB LYS 39 -6.964 -4.492 -1.305
320 1HG LYS 39 2HG LYS 39 -9.110 -3.506 -0.701
321 2HG LYS 39 1HG LYS 39 -9.687 -3.740 -2.352
322 1HD LYS 39 2HD LYS 39 -9.674 -6.086 -2.133
323 2HD LYS 39 1HD LYS 39 -8.685 -6.023 -0.674
324 1HE LYS 39 2HE LYS 39 -10.987 -6.562 -0.118
325 2HE LYS 39 1HE LYS 39 -10.546 -4.987 0.533
326 1HZ LYS 39 1HZ LYS 39 -12.135 -5.476 -1.931
327 2HZ LYS 39 2HZ LYS 39 -11.686 -3.954 -1.342
328 3HZ LYS 39 3HZ LYS 39 -12.737 -4.925 -0.442
329 H ILE 40 H ILE 40 -5.748 -3.936 -4.239
330 HA ILE 40 HA ILE 40 -3.221 -3.926 -2.977
331 HB ILE 40 HB ILE 40 -3.802 -4.324 -5.917
332 1HG1 ILE 40 2HG1 ILE 40 -3.725 -6.337 -3.652
333 2HG1 ILE 40 1HG1 ILE 40 -5.172 -5.812 -4.508
334 1HG2 ILE 40 1HG2 ILE 40 -1.495 -5.248 -4.202
335 2HG2 ILE 40 2HG2 ILE 40 -1.438 -3.973 -5.420
336 3HG2 ILE 40 3HG2 ILE 40 -1.738 -5.643 -5.904
337 1HD1 ILE 40 1HD1 ILE 40 -4.267 -6.778 -6.575
338 2HD1 ILE 40 2HD1 ILE 40 -4.467 -7.974 -5.295
339 3HD1 ILE 40 3HD1 ILE 40 -2.862 -7.347 -5.673
340 H ALA 41 H ALA 41 -4.812 -1.707 -5.170
341 HA ALA 41 HA ALA 41 -2.564 -0.212 -5.964
342 1HB ALA 41 1HB ALA 41 -4.143 1.579 -6.500
343 2HB ALA 41 2HB ALA 41 -5.413 0.718 -5.629
344 3HB ALA 41 3HB ALA 41 -4.709 0.014 -7.084
345 H VAL 42 H VAL 42 -4.672 0.018 -3.120
346 HA VAL 42 HA VAL 42 -3.632 2.449 -2.147
347 HB VAL 42 HB VAL 42 -4.641 0.236 -0.358
348 1HG1 VAL 42 1HG1 VAL 42 -3.626 2.156 0.750
349 2HG1 VAL 42 2HG1 VAL 42 -5.363 2.088 1.055
350 3HG1 VAL 42 3HG1 VAL 42 -4.718 3.237 -0.117
351 1HG2 VAL 42 1HG2 VAL 42 -6.256 0.533 -2.156
352 2HG2 VAL 42 2HG2 VAL 42 -6.284 2.271 -1.853
353 3HG2 VAL 42 3HG2 VAL 42 -6.881 1.151 -0.627
354 H VAL 43 H VAL 43 -2.876 -0.913 -1.165
355 HA VAL 43 HA VAL 43 -0.822 -0.159 0.599
356 HB VAL 43 HB VAL 43 0.006 -2.609 0.165
357 1HG1 VAL 43 1HG1 VAL 43 -1.047 -1.855 2.200
358 2HG1 VAL 43 2HG1 VAL 43 -1.728 -3.408 1.719
359 3HG1 VAL 43 3HG1 VAL 43 -2.636 -1.923 1.438
360 1HG2 VAL 43 1HG2 VAL 43 -2.740 -2.607 -1.081
361 2HG2 VAL 43 2HG2 VAL 43 -1.892 -4.057 -0.543
362 3HG2 VAL 43 3HG2 VAL 43 -1.221 -3.075 -1.850
363 H ARG 44 H ARG 44 -0.652 -1.009 -2.841
364 HA ARG 44 HA ARG 44 2.172 -0.896 -3.081
365 1HB ARG 44 2HB ARG 44 -0.147 -0.632 -4.945
366 2HB ARG 44 1HB ARG 44 1.423 -0.085 -5.511
367 1HG ARG 44 2HG ARG 44 2.348 -2.271 -5.264
368 2HG ARG 44 1HG ARG 44 0.888 -2.849 -4.451
369 1HD ARG 44 2HD ARG 44 -0.342 -2.894 -6.384
370 2HD ARG 44 1HD ARG 44 0.617 -1.630 -7.148
371 HE ARG 44 HE ARG 44 2.400 -3.539 -7.167
372 1HH1 ARG 44 1HH1 ARG 44 -1.040 -3.844 -7.742
373 2HH1 ARG 44 2HH1 ARG 44 -0.859 -5.156 -8.865
374 1HH2 ARG 44 1HH2 ARG 44 2.654 -5.195 -8.705
375 2HH2 ARG 44 2HH2 ARG 44 1.240 -5.912 -9.438
376 H GLY 45 H GLY 45 -0.332 1.566 -3.633
377 1HA GLY 45 2HA GLY 45 1.402 3.601 -4.474
378 2HA GLY 45 1HA GLY 45 -0.216 3.837 -3.835
379 H VAL 46 H VAL 46 -0.003 3.032 -1.233
380 HA VAL 46 HA VAL 46 1.266 5.314 -0.132
381 HB VAL 46 HB VAL 46 0.703 4.365 2.102
382 1HG1 VAL 46 1HG1 VAL 46 -1.537 4.378 0.089
383 2HG1 VAL 46 2HG1 VAL 46 -0.874 5.781 0.929
384 3HG1 VAL 46 3HG1 VAL 46 -1.720 4.529 1.838
385 1HG2 VAL 46 1HG2 VAL 46 0.910 1.982 1.584
386 2HG2 VAL 46 2HG2 VAL 46 -0.500 2.088 0.531
387 3HG2 VAL 46 3HG2 VAL 46 -0.673 2.358 2.266
388 H ILE 47 H ILE 47 2.017 1.851 0.379
389 HA ILE 47 HA ILE 47 4.152 2.360 2.130
390 HB ILE 47 HB ILE 47 3.561 -0.121 0.508
391 1HG1 ILE 47 2HG1 ILE 47 2.803 0.704 3.316
392 2HG1 ILE 47 1HG1 ILE 47 1.714 0.469 1.953
393 1HG2 ILE 47 1HG2 ILE 47 5.364 0.264 2.891
394 2HG2 ILE 47 2HG2 ILE 47 5.858 -0.149 1.247
395 3HG2 ILE 47 3HG2 ILE 47 4.914 -1.295 2.200
396 1HD1 ILE 47 1HD1 ILE 47 2.303 -1.920 1.939
397 2HD1 ILE 47 2HD1 ILE 47 1.564 -1.401 3.453
398 3HD1 ILE 47 3HD1 ILE 47 3.307 -1.655 3.364
399 H TYR 48 H TYR 48 4.099 1.708 -1.345
400 HA TYR 48 HA TYR 48 6.998 1.588 -1.381
401 1HB TYR 48 2HB TYR 48 5.453 0.045 -2.714
402 2HB TYR 48 1HB TYR 48 5.188 1.422 -3.783
403 HD1 TYR 48 HD1 TYR 48 7.711 -0.929 -2.499
404 HD2 TYR 48 HD2 TYR 48 6.841 2.088 -5.361
405 HE1 TYR 48 HE1 TYR 48 9.789 -1.482 -3.697
406 HE2 TYR 48 HE2 TYR 48 8.916 1.548 -6.571
407 HH TYR 48 HH TYR 48 11.148 0.510 -6.023
408 H GLY 49 H GLY 49 4.416 3.718 -2.479
409 1HA GLY 49 2HA GLY 49 6.406 5.332 -3.908
410 2HA GLY 49 1HA GLY 49 4.675 5.373 -4.177
411 H LEU 50 H LEU 50 3.712 5.812 -1.599
412 HA LEU 50 HA LEU 50 4.364 8.656 -1.655
413 1HB LEU 50 2HB LEU 50 1.924 7.116 -0.890
414 2HB LEU 50 1HB LEU 50 2.147 8.740 -0.275
415 HG LEU 50 HG LEU 50 2.308 9.572 -2.610
416 1HD1 LEU 50 1HD1 LEU 50 3.067 7.520 -3.695
417 2HD1 LEU 50 2HD1 LEU 50 1.604 8.150 -4.453
418 3HD1 LEU 50 3HD1 LEU 50 1.508 6.766 -3.360
419 1HD2 LEU 50 1HD2 LEU 50 -0.192 8.039 -1.925
420 2HD2 LEU 50 2HD2 LEU 50 -0.075 9.307 -3.147
421 3HD2 LEU 50 3HD2 LEU 50 0.193 9.692 -1.445
422 H ILE 51 H ILE 51 3.211 6.539 1.010
423 HA ILE 51 HA ILE 51 5.116 7.884 2.758
424 HB ILE 51 HB ILE 51 3.134 8.225 4.413
425 1HG1 ILE 51 2HG1 ILE 51 1.067 8.988 3.165
426 2HG1 ILE 51 1HG1 ILE 51 1.721 8.198 1.740
427 1HG2 ILE 51 1HG2 ILE 51 4.523 10.012 3.577
428 2HG2 ILE 51 2HG2 ILE 51 2.832 10.516 3.558
429 3HG2 ILE 51 3HG2 ILE 51 3.626 10.038 2.059
430 1HD1 ILE 51 1HD1 ILE 51 1.022 6.836 4.327
431 2HD1 ILE 51 2HD1 ILE 51 1.645 6.054 2.873
432 3HD1 ILE 51 3HD1 ILE 51 0.058 6.823 2.850
433 H THR 52 H THR 52 4.990 7.056 5.041
434 HA THR 52 HA THR 52 5.170 4.215 4.992
435 HB THR 52 HB THR 52 6.654 5.405 6.438
436 HG1 THR 52 HG1 THR 52 6.408 4.209 8.280
437 1HG2 THR 52 1HG2 THR 52 5.285 7.387 6.852
438 2HG2 THR 52 2HG2 THR 52 5.896 6.714 8.362
439 3HG2 THR 52 3HG2 THR 52 4.219 6.437 7.890
440 H LEU 53 H LEU 53 4.133 2.921 6.774
441 HA LEU 53 HA LEU 53 1.369 2.780 6.316
442 1HB LEU 53 2HB LEU 53 2.621 0.823 6.909
443 2HB LEU 53 1HB LEU 53 3.119 1.542 8.428
444 HG LEU 53 HG LEU 53 0.794 1.459 9.234
445 1HD1 LEU 53 1HD1 LEU 53 0.191 0.019 6.654
446 2HD1 LEU 53 2HD1 LEU 53 -0.314 1.662 7.047
447 3HD1 LEU 53 3HD1 LEU 53 -0.928 0.302 7.988
448 1HD2 LEU 53 1HD2 LEU 53 2.273 -0.410 9.712
449 2HD2 LEU 53 2HD2 LEU 53 1.815 -1.180 8.194
450 3HD2 LEU 53 3HD2 LEU 53 0.617 -0.969 9.473
451 H ALA 54 H ALA 54 3.249 4.403 8.773
452 HA ALA 54 HA ALA 54 1.275 4.882 10.680
453 1HB ALA 54 1HB ALA 54 3.639 5.439 11.008
454 2HB ALA 54 2HB ALA 54 2.594 6.819 11.345
455 3HB ALA 54 3HB ALA 54 3.493 6.743 9.829
456 H GLU 55 H GLU 55 2.115 6.748 7.783
457 HA GLU 55 HA GLU 55 0.062 8.697 8.151
458 1HB GLU 55 2HB GLU 55 1.540 7.994 5.612
459 2HB GLU 55 1HB GLU 55 0.703 9.499 5.961
460 1HG GLU 55 2HG GLU 55 3.156 8.483 7.377
461 2HG GLU 55 1HG GLU 55 3.118 9.742 6.144
462 H ALA 56 H ALA 56 0.459 5.864 6.064
463 HA ALA 56 HA ALA 56 -1.992 5.889 4.732
464 1HB ALA 56 1HB ALA 56 -1.688 3.481 4.463
465 2HB ALA 56 2HB ALA 56 -0.442 3.489 5.713
466 3HB ALA 56 3HB ALA 56 -0.174 4.342 4.192
467 H LYS 57 H LYS 57 -1.229 4.356 7.878
468 HA LYS 57 HA LYS 57 -3.745 3.253 8.343
469 1HB LYS 57 2HB LYS 57 -1.670 2.848 9.687
470 2HB LYS 57 1HB LYS 57 -1.891 4.426 10.426
471 1HG LYS 57 2HG LYS 57 -4.134 3.614 11.224
472 2HG LYS 57 1HG LYS 57 -3.651 2.006 10.688
473 1HD LYS 57 2HD LYS 57 -2.039 3.671 12.613
474 2HD LYS 57 1HD LYS 57 -3.244 2.491 13.123
475 1HE LYS 57 2HE LYS 57 -1.086 1.650 11.242
476 2HE LYS 57 1HE LYS 57 -0.704 1.845 12.952
477 1HZ LYS 57 1HZ LYS 57 -2.532 0.298 13.453
478 2HZ LYS 57 2HZ LYS 57 -1.312 -0.416 12.520
479 3HZ LYS 57 3HZ LYS 57 -2.774 0.045 11.792
480 H GLN 58 H GLN 58 -2.517 6.475 9.211
481 HA GLN 58 HA GLN 58 -4.772 7.379 10.609
482 1HB GLN 58 2HB GLN 58 -2.700 8.919 9.046
483 2HB GLN 58 1HB GLN 58 -3.893 9.665 10.099
484 1HG GLN 58 2HG GLN 58 -2.959 8.609 12.023
485 2HG GLN 58 1HG GLN 58 -1.890 7.625 11.024
486 1HE2 GLN 58 1HE2 GLN 58 -0.100 8.547 10.087
487 2HE2 GLN 58 2HE2 GLN 58 0.520 10.097 10.549
488 H THR 59 H THR 59 -4.003 7.566 7.148
489 HA THR 59 HA THR 59 -6.489 9.065 6.708
490 HB THR 59 HB THR 59 -4.294 8.514 4.710
491 HG1 THR 59 HG1 THR 59 -3.400 9.729 6.365
492 1HG2 THR 59 1HG2 THR 59 -6.509 10.571 4.767
493 2HG2 THR 59 2HG2 THR 59 -6.447 9.149 3.725
494 3HG2 THR 59 3HG2 THR 59 -5.259 10.440 3.528
495 H TYR 60 H TYR 60 -4.739 6.276 5.385
496 HA TYR 60 HA TYR 60 -7.164 5.465 3.967
497 1HB TYR 60 2HB TYR 60 -4.360 4.503 3.459
498 2HB TYR 60 1HB TYR 60 -5.764 4.300 2.421
499 HD1 TYR 60 HD1 TYR 60 -2.945 6.357 3.197
500 HD2 TYR 60 HD2 TYR 60 -6.799 6.402 1.401
501 HE1 TYR 60 HE1 TYR 60 -2.365 8.434 2.017
502 HE2 TYR 60 HE2 TYR 60 -6.228 8.477 0.212
503 HH TYR 60 HH TYR 60 -3.054 9.675 0.021
504 H GLY 61 H GLY 61 -6.181 4.920 6.859
505 1HA GLY 61 2HA GLY 61 -5.513 2.156 6.944
506 2HA GLY 61 1HA GLY 61 -5.958 3.163 8.311
507 H LEU 62 H LEU 62 -8.506 3.877 6.876
508 HA LEU 62 HA LEU 62 -10.684 3.289 7.162
509 1HB LEU 62 2HB LEU 62 -10.649 0.646 6.086
510 2HB LEU 62 1HB LEU 62 -11.239 2.125 5.359
511 HG LEU 62 HG LEU 62 -8.561 2.374 4.928
512 1HD1 LEU 62 1HD1 LEU 62 -9.200 -0.565 4.698
513 2HD1 LEU 62 2HD1 LEU 62 -8.053 0.172 5.817
514 3HD1 LEU 62 3HD1 LEU 62 -7.747 0.225 4.079
515 1HD2 LEU 62 1HD2 LEU 62 -10.558 0.976 3.159
516 2HD2 LEU 62 2HD2 LEU 62 -9.040 1.707 2.637
517 3HD2 LEU 62 3HD2 LEU 62 -10.326 2.720 3.294
518 H SER 63 H SER 63 -10.159 -0.105 7.240
519 HA SER 63 HA SER 63 -10.223 -0.097 10.181
520 1HB SER 63 2HB SER 63 -12.235 -1.172 9.149
521 2HB SER 63 1HB SER 63 -11.167 -2.304 8.317
522 HG SER 63 HG SER 63 -12.195 -2.609 10.686
523 H ASP 64 H ASP 64 -8.436 -0.919 11.125
524 HA ASP 64 HA ASP 64 -6.095 -1.216 9.685
525 1HB ASP 64 2HB ASP 64 -6.303 -0.805 12.158
526 2HB ASP 64 1HB ASP 64 -6.626 -2.524 12.357
527 H GLU 65 H GLU 65 -8.336 -3.723 10.763
528 HA GLU 65 HA GLU 65 -6.815 -5.947 9.927
529 1HB GLU 65 2HB GLU 65 -9.806 -5.659 10.243
530 2HB GLU 65 1HB GLU 65 -8.953 -7.187 10.063
531 1HG GLU 65 2HG GLU 65 -8.516 -5.228 12.302
532 2HG GLU 65 1HG GLU 65 -9.547 -6.655 12.396
533 H GLU 66 H GLU 66 -9.157 -3.907 8.269
534 HA GLU 66 HA GLU 66 -9.429 -5.396 5.895
535 1HB GLU 66 2HB GLU 66 -10.904 -3.501 6.439
536 2HB GLU 66 1HB GLU 66 -9.544 -2.399 6.341
537 1HG GLU 66 2HG GLU 66 -10.828 -2.170 4.360
538 2HG GLU 66 1HG GLU 66 -9.316 -2.966 3.940
539 H PHE 67 H PHE 67 -7.253 -2.728 6.753
540 HA PHE 67 HA PHE 67 -5.829 -2.649 4.328
541 1HB PHE 67 2HB PHE 67 -5.906 -0.897 6.190
542 2HB PHE 67 1HB PHE 67 -4.713 -1.881 7.030
543 HD1 PHE 67 HD1 PHE 67 -2.450 -2.167 6.065
544 HD2 PHE 67 HD2 PHE 67 -5.320 0.468 4.353
545 HE1 PHE 67 HE1 PHE 67 -0.663 -1.043 4.803
546 HE2 PHE 67 HE2 PHE 67 -3.537 1.596 3.091
547 HZ PHE 67 HZ PHE 67 -1.206 0.836 3.313
548 H ASN 68 H ASN 68 -5.132 -4.260 7.428
549 HA ASN 68 HA ASN 68 -2.680 -5.441 6.775
550 1HB ASN 68 2HB ASN 68 -4.881 -6.423 8.605
551 2HB ASN 68 1HB ASN 68 -3.301 -7.186 8.493
552 1HD2 ASN 68 1HD2 ASN 68 -4.637 -5.918 10.745
553 2HD2 ASN 68 2HD2 ASN 68 -3.589 -4.651 11.285
554 H SER 69 H SER 69 -5.959 -6.451 6.076
555 HA SER 69 HA SER 69 -5.381 -9.084 5.312
556 1HB SER 69 2HB SER 69 -7.653 -8.150 5.823
557 2HB SER 69 1HB SER 69 -7.625 -7.365 4.244
558 HG SER 69 HG SER 69 -7.316 -10.158 4.676
559 H TRP 70 H TRP 70 -5.268 -6.042 3.506
560 HA TRP 70 HA TRP 70 -5.070 -7.214 0.935
561 1HB TRP 70 2HB TRP 70 -3.914 -4.556 1.797
562 2HB TRP 70 1HB TRP 70 -4.355 -5.044 0.166
563 HD1 TRP 70 HD1 TRP 70 -7.237 -6.317 1.546
564 HE1 TRP 70 HE1 TRP 70 -9.137 -4.608 1.859
565 HE3 TRP 70 HE3 TRP 70 -4.504 -2.007 1.238
566 HZ2 TRP 70 HZ2 TRP 70 -9.436 -1.811 1.923
567 HZ3 TRP 70 HZ3 TRP 70 -5.681 0.142 1.430
568 HH2 TRP 70 HH2 TRP 70 -8.094 0.239 1.766
569 H VAL 71 H VAL 71 -2.666 -6.038 3.249
570 HA VAL 71 HA VAL 71 -0.393 -6.706 1.710
571 HB VAL 71 HB VAL 71 -0.518 -6.628 4.720
572 1HG1 VAL 71 1HG1 VAL 71 1.825 -5.923 4.541
573 2HG1 VAL 71 2HG1 VAL 71 1.733 -6.101 2.788
574 3HG1 VAL 71 3HG1 VAL 71 1.554 -7.514 3.829
575 1HG2 VAL 71 1HG2 VAL 71 -0.164 -4.327 2.808
576 2HG2 VAL 71 2HG2 VAL 71 0.060 -4.242 4.555
577 3HG2 VAL 71 3HG2 VAL 71 -1.533 -4.595 3.887
578 H SER 72 H SER 72 -2.223 -8.422 4.194
579 HA SER 72 HA SER 72 -0.534 -10.645 4.445
580 1HB SER 72 2HB SER 72 -3.508 -10.378 4.920
581 2HB SER 72 1HB SER 72 -2.534 -11.758 5.437
582 HG SER 72 HG SER 72 -2.444 -9.078 6.319
583 H ALA 73 H ALA 73 -3.165 -9.964 2.197
584 HA ALA 73 HA ALA 73 -3.270 -12.580 1.065
585 1HB ALA 73 1HB ALA 73 -5.136 -11.021 0.851
586 2HB ALA 73 2HB ALA 73 -4.559 -11.529 -0.736
587 3HB ALA 73 3HB ALA 73 -4.134 -9.936 -0.111
588 H LEU 74 H LEU 74 -1.437 -9.678 0.420
589 HA LEU 74 HA LEU 74 -0.237 -10.632 -2.006
590 1HB LEU 74 2HB LEU 74 0.444 -8.345 -0.146
591 2HB LEU 74 1HB LEU 74 1.252 -8.640 -1.677
592 HG LEU 74 HG LEU 74 -1.704 -8.088 -1.413
593 1HD1 LEU 74 1HD1 LEU 74 -0.374 -6.167 -0.690
594 2HD1 LEU 74 2HD1 LEU 74 -1.209 -5.852 -2.212
595 3HD1 LEU 74 3HD1 LEU 74 0.518 -6.215 -2.212
596 1HD2 LEU 74 1HD2 LEU 74 -1.073 -9.364 -3.401
597 2HD2 LEU 74 2HD2 LEU 74 0.124 -8.136 -3.812
598 3HD2 LEU 74 3HD2 LEU 74 -1.593 -7.733 -3.822
599 H ALA 75 H ALA 75 0.411 -10.825 1.370
600 HA ALA 75 HA ALA 75 3.196 -11.510 1.073
601 1HB ALA 75 1HB ALA 75 1.483 -11.506 3.544
602 2HB ALA 75 2HB ALA 75 2.428 -10.139 2.956
603 3HB ALA 75 3HB ALA 75 3.242 -11.611 3.486
604 H GLU 76 H GLU 76 0.657 -13.238 0.323
605 HA GLU 76 HA GLU 76 0.144 -15.444 0.180
606 1HB GLU 76 2HB GLU 76 2.839 -15.332 -0.198
607 2HB GLU 76 1HB GLU 76 2.756 -16.394 1.199
608 1HG GLU 76 2HG GLU 76 1.339 -16.836 -1.422
609 2HG GLU 76 1HG GLU 76 2.827 -17.629 -0.908
610 H HIS 77 H HIS 77 -0.900 -14.391 2.199
611 HA HIS 77 HA HIS 77 -1.917 -14.697 4.163
612 1HB HIS 77 2HB HIS 77 -2.440 -16.884 4.919
613 2HB HIS 77 1HB HIS 77 -2.368 -16.957 3.170
614 HD1 HIS 77 HD1 HIS 77 -0.353 -17.982 6.228
615 HD2 HIS 77 HD2 HIS 77 -0.694 -18.886 2.174
616 HE1 HIS 77 HE1 HIS 77 1.076 -20.017 5.856
617 HE2 HIS 77 HE2 HIS 77 0.893 -20.528 3.401
618 H GLY 78 H GLY 78 1.105 -14.189 4.055
619 1HA GLY 78 2HA GLY 78 2.242 -13.213 5.908
620 2HA GLY 78 1HA GLY 78 1.387 -14.317 6.975
621 H LYS 79 H LYS 79 2.513 -15.912 4.245
622 HA LYS 79 HA LYS 79 4.654 -17.120 5.805
623 1HB LYS 79 2HB LYS 79 3.097 -18.643 4.747
624 2HB LYS 79 1HB LYS 79 3.364 -17.895 3.181
625 1HG LYS 79 2HG LYS 79 5.672 -19.134 4.610
626 2HG LYS 79 1HG LYS 79 4.498 -20.167 3.793
627 1HD LYS 79 2HD LYS 79 4.907 -19.071 1.692
628 2HD LYS 79 1HD LYS 79 5.936 -17.867 2.471
629 1HE LYS 79 2HE LYS 79 7.496 -19.667 3.106
630 2HE LYS 79 1HE LYS 79 6.480 -20.822 2.244
631 1HZ LYS 79 1HZ LYS 79 8.528 -19.784 1.080
632 2HZ LYS 79 2HZ LYS 79 7.511 -18.450 0.823
633 3HZ LYS 79 3HZ LYS 79 7.089 -19.978 0.209
634 H ASP 80 H ASP 80 4.173 -15.452 2.729
635 HA ASP 80 HA ASP 80 7.071 -15.496 2.257
636 1HB ASP 80 2HB ASP 80 4.891 -15.969 0.604
637 2HB ASP 80 1HB ASP 80 5.457 -14.381 0.116
638 H ALA 81 H ALA 81 5.577 -13.716 4.120
639 HA ALA 81 HA ALA 81 5.505 -11.088 3.082
640 1HB ALA 81 1HB ALA 81 5.884 -11.991 5.938
641 2HB ALA 81 2HB ALA 81 4.334 -11.740 5.134
642 3HB ALA 81 3HB ALA 81 5.415 -10.376 5.414
643 H LEU 82 H LEU 82 8.068 -13.123 3.558
644 HA LEU 82 HA LEU 82 9.951 -10.965 4.190
645 1HB LEU 82 2HB LEU 82 11.611 -12.887 4.359
646 2HB LEU 82 1HB LEU 82 10.375 -12.779 5.595
647 HG LEU 82 HG LEU 82 9.083 -14.518 4.234
648 1HD1 LEU 82 1HD1 LEU 82 10.341 -14.343 2.155
649 2HD1 LEU 82 2HD1 LEU 82 10.424 -15.979 2.809
650 3HD1 LEU 82 3HD1 LEU 82 11.802 -14.890 2.982
651 1HD2 LEU 82 1HD2 LEU 82 11.707 -15.308 5.491
652 2HD2 LEU 82 2HD2 LEU 82 10.302 -16.350 5.260
653 3HD2 LEU 82 3HD2 LEU 82 10.207 -14.975 6.360
654 H LYS 83 H LYS 83 8.532 -12.175 1.568
655 HA LYS 83 HA LYS 83 10.935 -11.882 -0.108
656 1HB LYS 83 2HB LYS 83 9.640 -14.111 -0.071
657 2HB LYS 83 1HB LYS 83 8.388 -13.255 -0.955
658 1HG LYS 83 2HG LYS 83 11.216 -13.319 -1.943
659 2HG LYS 83 1HG LYS 83 10.098 -14.642 -2.267
660 1HD LYS 83 2HD LYS 83 9.646 -11.752 -3.010
661 2HD LYS 83 1HD LYS 83 10.195 -13.013 -4.111
662 1HE LYS 83 2HE LYS 83 7.542 -12.865 -2.685
663 2HE LYS 83 1HE LYS 83 7.833 -12.681 -4.414
664 1HZ LYS 83 1HZ LYS 83 7.109 -14.853 -4.216
665 2HZ LYS 83 2HZ LYS 83 7.939 -15.123 -2.765
666 3HZ LYS 83 3HZ LYS 83 8.796 -15.045 -4.233
667 H VAL 84 H VAL 84 7.577 -10.981 0.375
668 HA VAL 84 HA VAL 84 7.155 -9.458 -1.934
669 HB VAL 84 HB VAL 84 6.029 -8.895 0.815
670 1HG1 VAL 84 1HG1 VAL 84 5.624 -7.089 -0.742
671 2HG1 VAL 84 2HG1 VAL 84 4.124 -7.966 -0.435
672 3HG1 VAL 84 3HG1 VAL 84 5.005 -8.228 -1.939
673 1HG2 VAL 84 1HG2 VAL 84 5.688 -11.228 0.209
674 2HG2 VAL 84 2HG2 VAL 84 4.989 -10.733 -1.334
675 3HG2 VAL 84 3HG2 VAL 84 4.166 -10.337 0.175
676 H THR 85 H THR 85 8.266 -7.760 -2.627
677 HA THR 85 HA THR 85 10.323 -6.539 -1.247
678 HB THR 85 HB THR 85 8.791 -5.354 -3.564
679 HG1 THR 85 HG1 THR 85 9.656 -6.903 -4.722
680 1HG2 THR 85 1HG2 THR 85 11.656 -4.986 -2.668
681 2HG2 THR 85 2HG2 THR 85 10.368 -3.790 -2.515
682 3HG2 THR 85 3HG2 THR 85 10.928 -4.282 -4.114
683 H ALA 86 H ALA 86 6.989 -5.370 -1.695
684 HA ALA 86 HA ALA 86 7.319 -2.829 -0.571
685 1HB ALA 86 1HB ALA 86 4.859 -4.578 -0.522
686 2HB ALA 86 2HB ALA 86 5.319 -3.470 -1.815
687 3HB ALA 86 3HB ALA 86 4.891 -2.841 -0.223
688 H LEU 87 H LEU 87 6.755 -5.937 0.963
689 HA LEU 87 HA LEU 87 6.245 -4.701 3.542
690 1HB LEU 87 2HB LEU 87 5.026 -6.761 2.583
691 2HB LEU 87 1HB LEU 87 6.477 -7.653 2.986
692 HG LEU 87 HG LEU 87 4.589 -7.808 4.647
693 1HD1 LEU 87 1HD1 LEU 87 6.865 -8.401 5.265
694 2HD1 LEU 87 2HD1 LEU 87 6.023 -7.631 6.609
695 3HD1 LEU 87 3HD1 LEU 87 7.203 -6.718 5.671
696 1HD2 LEU 87 1HD2 LEU 87 4.340 -5.936 6.220
697 2HD2 LEU 87 2HD2 LEU 87 3.818 -5.525 4.587
698 3HD2 LEU 87 3HD2 LEU 87 5.374 -4.952 5.185
699 H LYS 88 H LYS 88 8.617 -6.744 1.939
700 HA LYS 88 HA LYS 88 10.403 -7.100 4.060
701 1HB LYS 88 2HB LYS 88 10.572 -8.352 1.972
702 2HB LYS 88 1HB LYS 88 10.930 -6.876 1.087
703 1HG LYS 88 2HG LYS 88 13.026 -6.645 2.324
704 2HG LYS 88 1HG LYS 88 12.669 -8.132 3.206
705 1HD LYS 88 2HD LYS 88 12.734 -9.408 1.156
706 2HD LYS 88 1HD LYS 88 12.943 -7.936 0.207
707 1HE LYS 88 2HE LYS 88 15.069 -9.039 0.445
708 2HE LYS 88 1HE LYS 88 15.085 -7.536 1.366
709 1HZ LYS 88 1HZ LYS 88 16.091 -9.336 2.607
710 2HZ LYS 88 2HZ LYS 88 14.674 -10.257 2.489
711 3HZ LYS 88 3HZ LYS 88 14.675 -8.815 3.383
712 H LYS 89 H LYS 89 9.968 -4.451 1.773
713 HA LYS 89 HA LYS 89 12.257 -2.954 2.530
714 1HB LYS 89 2HB LYS 89 10.782 -2.525 0.501
715 2HB LYS 89 1HB LYS 89 9.635 -1.791 1.611
716 1HG LYS 89 2HG LYS 89 10.980 -0.101 0.521
717 2HG LYS 89 1HG LYS 89 11.290 -0.133 2.256
718 1HD LYS 89 2HD LYS 89 13.338 -1.387 1.892
719 2HD LYS 89 1HD LYS 89 13.014 -1.448 0.159
720 1HE LYS 89 2HE LYS 89 14.653 0.284 0.706
721 2HE LYS 89 1HE LYS 89 13.183 0.977 0.022
722 1HZ LYS 89 1HZ LYS 89 12.463 1.597 2.224
723 2HZ LYS 89 2HZ LYS 89 14.013 2.225 1.952
724 3HZ LYS 89 3HZ LYS 89 13.816 0.850 2.926
725 H TYR 90 H TYR 90 8.861 -2.751 3.547
726 HA TYR 90 HA TYR 90 9.185 -0.701 5.404
727 1HB TYR 90 2HB TYR 90 7.008 -1.597 4.543
728 2HB TYR 90 1HB TYR 90 7.221 -2.995 5.592
729 HD1 TYR 90 HD1 TYR 90 6.777 0.677 5.579
730 HD2 TYR 90 HD2 TYR 90 6.620 -2.896 7.882
731 HE1 TYR 90 HE1 TYR 90 5.693 1.911 7.404
732 HE2 TYR 90 HE2 TYR 90 5.536 -1.668 9.717
733 HH TYR 90 HH TYR 90 5.341 0.624 10.534
734 H ARG 91 H ARG 91 9.421 -4.217 5.831
735 HA ARG 91 HA ARG 91 9.759 -4.123 8.637
736 1HB ARG 91 2HB ARG 91 9.080 -6.109 7.194
737 2HB ARG 91 1HB ARG 91 10.792 -6.305 6.845
738 1HG ARG 91 2HG ARG 91 10.262 -7.797 8.608
739 2HG ARG 91 1HG ARG 91 11.176 -6.465 9.324
740 1HD ARG 91 2HD ARG 91 9.008 -5.414 9.962
741 2HD ARG 91 1HD ARG 91 8.187 -6.860 9.379
742 HE ARG 91 HE ARG 91 10.076 -6.829 11.646
743 1HH1 ARG 91 1HH1 ARG 91 7.302 -8.171 9.980
744 2HH1 ARG 91 2HH1 ARG 91 6.823 -9.168 11.321
745 1HH2 ARG 91 1HH2 ARG 91 9.442 -8.164 13.410
746 2HH2 ARG 91 2HH2 ARG 91 8.044 -9.178 13.247
747 H GLN 92 H GLN 92 12.085 -4.222 5.958
748 HA GLN 92 HA GLN 92 14.355 -4.329 7.725
749 1HB GLN 92 2HB GLN 92 14.475 -5.319 5.498
750 2HB GLN 92 1HB GLN 92 14.166 -3.753 4.764
751 1HG GLN 92 2HG GLN 92 16.514 -4.355 4.623
752 2HG GLN 92 1HG GLN 92 16.281 -2.915 5.611
753 1HE2 GLN 92 1HE2 GLN 92 16.644 -3.025 7.821
754 2HE2 GLN 92 2HE2 GLN 92 17.519 -4.329 8.552
755 H LEU 93 H LEU 93 12.473 -1.861 6.176
756 HA LEU 93 HA LEU 93 14.265 0.291 6.414
757 1HB LEU 93 2HB LEU 93 12.296 0.390 4.996
758 2HB LEU 93 1HB LEU 93 11.248 0.222 6.387
759 HG LEU 93 HG LEU 93 12.053 2.425 7.220
760 1HD1 LEU 93 1HD1 LEU 93 13.437 2.563 4.544
761 2HD1 LEU 93 2HD1 LEU 93 14.233 2.441 6.112
762 3HD1 LEU 93 3HD1 LEU 93 13.297 3.880 5.708
763 1HD2 LEU 93 1HD2 LEU 93 10.839 3.765 5.565
764 2HD2 LEU 93 2HD2 LEU 93 9.989 2.268 5.950
765 3HD2 LEU 93 3HD2 LEU 93 10.889 2.408 4.441
766 H LEU 94 H LEU 94 11.966 -1.130 8.683
767 HA LEU 94 HA LEU 94 12.694 0.799 10.737
768 1HB LEU 94 2HB LEU 94 10.775 -1.508 10.660
769 2HB LEU 94 1HB LEU 94 11.217 -0.755 12.178
770 HG LEU 94 HG LEU 94 10.387 1.433 11.204
771 1HD1 LEU 94 1HD1 LEU 94 10.422 0.862 8.853
772 2HD1 LEU 94 2HD1 LEU 94 8.778 1.259 9.355
773 3HD1 LEU 94 3HD1 LEU 94 9.249 -0.428 9.123
774 1HD2 LEU 94 1HD2 LEU 94 8.436 -0.836 11.553
775 2HD2 LEU 94 2HD2 LEU 94 8.030 0.878 11.607
776 3HD2 LEU 94 3HD2 LEU 94 9.099 0.187 12.828
777 H GLU 95 H GLU 95 13.635 -2.276 9.620
778 HA GLU 95 HA GLU 95 15.330 -3.667 10.159
779 1HB GLU 95 2HB GLU 95 16.631 -1.657 10.768
780 2HB GLU 95 1HB GLU 95 15.971 -1.730 12.393
781 1HG GLU 95 2HG GLU 95 18.247 -2.621 12.263
782 2HG GLU 95 1HG GLU 95 17.083 -3.832 12.797
783 H HIS 96 H HIS 96 15.818 -5.385 11.628
784 HA HIS 96 HA HIS 96 13.450 -6.246 13.026
785 1HB HIS 96 2HB HIS 96 16.173 -7.568 12.919
786 2HB HIS 96 1HB HIS 96 14.673 -8.321 13.438
787 HD1 HIS 96 HD1 HIS 96 16.361 -9.508 11.173
788 HD2 HIS 96 HD2 HIS 96 13.162 -6.914 10.594
789 HE1 HIS 96 HE1 HIS 96 15.582 -9.904 8.816
790 HE2 HIS 96 HE2 HIS 96 13.477 -8.543 8.611
791 H HIS 97 H HIS 97 16.592 -5.005 13.905
792 HA HIS 97 HA HIS 97 15.954 -5.371 16.752
793 1HB HIS 97 2HB HIS 97 18.610 -4.666 15.466
794 2HB HIS 97 1HB HIS 97 18.341 -4.957 17.181
795 HD1 HIS 97 HD1 HIS 97 18.774 -7.298 17.943
796 HD2 HIS 97 HD2 HIS 97 18.080 -7.083 13.849
797 HE1 HIS 97 HE1 HIS 97 19.149 -9.622 17.067
798 HE2 HIS 97 HE2 HIS 97 18.934 -9.415 14.571
799 H HIS 98 H HIS 98 14.640 -3.650 17.185
800 HA HIS 98 HA HIS 98 15.391 -1.052 16.061
801 1HB HIS 98 2HB HIS 98 13.060 -2.083 15.816
802 2HB HIS 98 1HB HIS 98 12.830 -1.683 17.514
803 HD1 HIS 98 HD1 HIS 98 11.543 0.405 17.752
804 HD2 HIS 98 HD2 HIS 98 14.040 0.496 14.422
805 HE1 HIS 98 HE1 HIS 98 11.165 2.652 16.677
806 HE2 HIS 98 HE2 HIS 98 12.545 2.605 14.561
807 H HIS 99 H HIS 99 15.103 -2.688 19.140
808 HA HIS 99 HA HIS 99 16.307 -0.359 20.413
809 1HB HIS 99 2HB HIS 99 13.568 -1.304 20.959
810 2HB HIS 99 1HB HIS 99 14.555 -0.982 22.381
811 HD1 HIS 99 HD1 HIS 99 15.366 1.486 22.728
812 HD2 HIS 99 HD2 HIS 99 12.712 0.940 19.566
813 HE1 HIS 99 HE1 HIS 99 14.553 3.788 22.112
814 HE2 HIS 99 HE2 HIS 99 13.040 3.445 20.125
815 H HIS 100 H HIS 100 16.918 -3.334 19.807
816 HA HIS 100 HA HIS 100 18.336 -3.755 22.251
817 1HB HIS 100 2HB HIS 100 17.352 -5.789 23.010
818 2HB HIS 100 1HB HIS 100 16.041 -4.634 22.822
819 HD1 HIS 100 HD1 HIS 100 17.448 -7.789 21.335
820 HD2 HIS 100 HD2 HIS 100 14.129 -5.308 20.899
821 HE1 HIS 100 HE1 HIS 100 15.820 -9.067 19.906
822 HE2 HIS 100 HE2 HIS 100 13.904 -7.479 19.506
823 H HIS 101 H HIS 101 19.956 -5.266 22.101
824 HA HIS 101 HA HIS 101 20.814 -6.108 19.530
825 1HB HIS 101 2HB HIS 101 21.666 -6.986 22.300
826 2HB HIS 101 1HB HIS 101 22.454 -7.517 20.820
827 HD1 HIS 101 HD1 HIS 101 23.383 -5.510 23.339
828 HD2 HIS 101 HD2 HIS 101 22.783 -4.668 19.309
829 HE1 HIS 101 HE1 HIS 101 24.721 -3.431 22.865
830 HE2 HIS 101 HE2 HIS 101 24.337 -2.931 20.424
Start of MODEL 3
1 1H MET 1 1H MET 1 12.348 6.458 -25.145
2 2H MET 1 2H MET 1 11.297 5.540 -24.181
3 3H MET 1 3H MET 1 12.972 5.278 -24.099
4 HA MET 1 HA MET 1 13.306 7.481 -23.206
5 1HB MET 1 2HB MET 1 10.284 7.602 -23.302
6 2HB MET 1 1HB MET 1 11.298 8.753 -22.443
7 1HG MET 1 2HG MET 1 12.338 9.404 -24.559
8 2HG MET 1 1HG MET 1 11.309 8.253 -25.410
9 1HE MET 1 1HE MET 1 10.591 10.294 -27.012
10 2HE MET 1 2HE MET 1 11.575 11.408 -26.064
11 3HE MET 1 3HE MET 1 9.891 11.795 -26.409
12 H MET 2 H MET 2 13.974 7.104 -21.207
13 HA MET 2 HA MET 2 12.152 6.059 -19.219
14 1HB MET 2 2HB MET 2 13.057 3.995 -20.206
15 2HB MET 2 1HB MET 2 14.692 4.562 -19.896
16 1HG MET 2 2HG MET 2 14.277 4.513 -17.502
17 2HG MET 2 1HG MET 2 12.619 3.992 -17.791
18 1HE MET 2 1HE MET 2 12.950 1.921 -16.155
19 2HE MET 2 2HE MET 2 14.597 2.473 -15.841
20 3HE MET 2 3HE MET 2 14.297 0.792 -16.284
21 H PHE 3 H PHE 3 12.412 7.414 -17.588
22 HA PHE 3 HA PHE 3 14.995 8.700 -17.167
23 1HB PHE 3 2HB PHE 3 12.299 9.233 -15.898
24 2HB PHE 3 1HB PHE 3 13.758 10.177 -15.617
25 HD1 PHE 3 HD1 PHE 3 14.873 11.181 -17.751
26 HD2 PHE 3 HD2 PHE 3 10.819 9.903 -17.533
27 HE1 PHE 3 HE1 PHE 3 14.324 12.612 -19.675
28 HE2 PHE 3 HE2 PHE 3 10.262 11.332 -19.458
29 HZ PHE 3 HZ PHE 3 12.016 12.688 -20.532
30 H LEU 4 H LEU 4 16.144 6.975 -16.304
31 HA LEU 4 HA LEU 4 15.200 5.927 -13.720
32 1HB LEU 4 2HB LEU 4 15.648 4.255 -15.460
33 2HB LEU 4 1HB LEU 4 17.288 4.851 -15.618
34 HG LEU 4 HG LEU 4 17.700 4.169 -13.245
35 1HD1 LEU 4 1HD1 LEU 4 16.134 2.586 -12.219
36 2HD1 LEU 4 2HD1 LEU 4 15.003 2.862 -13.545
37 3HD1 LEU 4 3HD1 LEU 4 15.408 4.178 -12.444
38 1HD2 LEU 4 1HD2 LEU 4 17.921 1.805 -13.745
39 2HD2 LEU 4 2HD2 LEU 4 18.370 2.772 -15.151
40 3HD2 LEU 4 3HD2 LEU 4 16.801 1.969 -15.098
41 H ARG 5 H ARG 5 18.107 7.085 -15.394
42 HA ARG 5 HA ARG 5 19.594 7.290 -12.926
43 1HB ARG 5 2HB ARG 5 20.277 8.144 -15.745
44 2HB ARG 5 1HB ARG 5 21.394 8.169 -14.385
45 1HG ARG 5 2HG ARG 5 21.421 5.826 -14.222
46 2HG ARG 5 1HG ARG 5 19.998 5.661 -15.251
47 1HD ARG 5 2HD ARG 5 21.897 5.034 -16.539
48 2HD ARG 5 1HD ARG 5 21.336 6.593 -17.131
49 HE ARG 5 HE ARG 5 23.277 7.250 -15.338
50 1HH1 ARG 5 1HH1 ARG 5 23.122 5.169 -18.167
51 2HH1 ARG 5 2HH1 ARG 5 24.807 5.345 -18.540
52 1HH2 ARG 5 1HH2 ARG 5 25.493 7.484 -15.847
53 2HH2 ARG 5 2HH2 ARG 5 26.161 6.656 -17.224
54 H LYS 6 H LYS 6 17.231 9.087 -14.219
55 HA LYS 6 HA LYS 6 17.755 11.307 -12.519
56 1HB LYS 6 2HB LYS 6 19.091 12.001 -14.490
57 2HB LYS 6 1HB LYS 6 17.663 11.837 -15.505
58 1HG LYS 6 2HG LYS 6 16.549 13.595 -14.202
59 2HG LYS 6 1HG LYS 6 17.999 13.771 -13.215
60 1HD LYS 6 2HD LYS 6 17.840 14.230 -16.195
61 2HD LYS 6 1HD LYS 6 17.857 15.491 -14.961
62 1HE LYS 6 2HE LYS 6 20.065 14.633 -14.207
63 2HE LYS 6 1HE LYS 6 20.047 13.512 -15.570
64 1HZ LYS 6 1HZ LYS 6 19.880 15.455 -17.053
65 2HZ LYS 6 2HZ LYS 6 21.313 15.444 -16.147
66 3HZ LYS 6 3HZ LYS 6 20.042 16.479 -15.710
67 H VAL 7 H VAL 7 15.818 11.240 -11.581
68 HA VAL 7 HA VAL 7 13.454 11.001 -13.317
69 HB VAL 7 HB VAL 7 13.972 9.009 -11.877
70 1HG1 VAL 7 1HG1 VAL 7 14.804 10.108 -9.901
71 2HG1 VAL 7 2HG1 VAL 7 13.410 9.108 -9.496
72 3HG1 VAL 7 3HG1 VAL 7 13.232 10.858 -9.621
73 1HG2 VAL 7 1HG2 VAL 7 11.342 10.399 -11.419
74 2HG2 VAL 7 2HG2 VAL 7 11.655 8.686 -11.133
75 3HG2 VAL 7 3HG2 VAL 7 11.767 9.342 -12.766
76 H GLU 8 H GLU 8 14.648 13.429 -12.754
77 HA GLU 8 HA GLU 8 13.348 14.705 -10.505
78 1HB GLU 8 2HB GLU 8 14.961 15.992 -12.714
79 2HB GLU 8 1HB GLU 8 14.600 16.670 -11.134
80 1HG GLU 8 2HG GLU 8 16.306 14.242 -11.636
81 2HG GLU 8 1HG GLU 8 16.910 15.868 -11.324
82 H GLY 9 H GLY 9 12.152 13.732 -13.327
83 1HA GLY 9 2HA GLY 9 10.630 16.197 -13.864
84 2HA GLY 9 1HA GLY 9 10.883 14.897 -15.017
85 HA PRO 10 HA PRO 10 7.121 12.987 -13.885
86 1HB PRO 10 2HB PRO 10 8.153 10.366 -13.183
87 2HB PRO 10 1HB PRO 10 7.312 10.868 -14.648
88 1HG PRO 10 2HG PRO 10 9.944 10.169 -14.594
89 2HG PRO 10 1HG PRO 10 9.258 11.304 -15.771
90 1HD PRO 10 2HD PRO 10 10.808 11.859 -13.273
91 2HD PRO 10 1HD PRO 10 10.894 12.661 -14.856
92 H ARG 11 H ARG 11 5.815 13.110 -12.180
93 HA ARG 11 HA ARG 11 6.861 12.364 -9.536
94 1HB ARG 11 2HB ARG 11 4.553 14.122 -10.354
95 2HB ARG 11 1HB ARG 11 4.689 13.483 -8.727
96 1HG ARG 11 2HG ARG 11 5.565 15.654 -8.642
97 2HG ARG 11 1HG ARG 11 6.957 14.573 -8.616
98 1HD ARG 11 2HD ARG 11 7.460 15.024 -10.890
99 2HD ARG 11 1HD ARG 11 5.920 15.850 -11.133
100 HE ARG 11 HE ARG 11 7.980 16.916 -9.313
101 1HH1 ARG 11 1HH1 ARG 11 5.835 17.284 -12.070
102 2HH1 ARG 11 2HH1 ARG 11 6.040 19.010 -12.150
103 1HH2 ARG 11 1HH2 ARG 11 8.257 19.185 -9.448
104 2HH2 ARG 11 2HH2 ARG 11 7.422 20.082 -10.676
105 H SER 12 H SER 12 6.650 10.108 -10.139
106 HA SER 12 HA SER 12 4.152 9.021 -9.245
107 1HB SER 12 2HB SER 12 3.875 7.587 -11.326
108 2HB SER 12 1HB SER 12 3.462 9.292 -11.518
109 HG SER 12 HG SER 12 5.047 9.522 -12.881
110 H VAL 13 H VAL 13 4.265 6.726 -8.902
111 HA VAL 13 HA VAL 13 7.040 5.745 -8.750
112 HB VAL 13 HB VAL 13 6.031 4.149 -6.984
113 1HG1 VAL 13 1HG1 VAL 13 6.427 5.761 -5.200
114 2HG1 VAL 13 2HG1 VAL 13 6.322 7.085 -6.362
115 3HG1 VAL 13 3HG1 VAL 13 7.635 5.912 -6.476
116 1HG2 VAL 13 1HG2 VAL 13 4.126 5.077 -5.734
117 2HG2 VAL 13 2HG2 VAL 13 3.681 4.647 -7.383
118 3HG2 VAL 13 3HG2 VAL 13 3.945 6.338 -6.956
119 H THR 14 H THR 14 7.472 4.205 -10.197
120 HA THR 14 HA THR 14 5.360 2.726 -11.462
121 HB THR 14 HB THR 14 8.322 2.156 -11.641
122 HG1 THR 14 HG1 THR 14 7.738 4.350 -12.267
123 1HG2 THR 14 1HG2 THR 14 6.915 0.345 -12.459
124 2HG2 THR 14 2HG2 THR 14 7.674 1.168 -13.824
125 3HG2 THR 14 3HG2 THR 14 5.980 1.477 -13.436
126 H LEU 15 H LEU 15 4.368 1.123 -10.500
127 HA LEU 15 HA LEU 15 5.403 -0.367 -8.321
128 1HB LEU 15 2HB LEU 15 3.227 -1.239 -10.227
129 2HB LEU 15 1HB LEU 15 3.457 -1.755 -8.568
130 HG LEU 15 HG LEU 15 2.582 0.985 -9.482
131 1HD1 LEU 15 1HD1 LEU 15 0.862 -0.719 -9.675
132 2HD1 LEU 15 2HD1 LEU 15 0.489 0.400 -8.361
133 3HD1 LEU 15 3HD1 LEU 15 1.132 -1.202 -8.001
134 1HD2 LEU 15 1HD2 LEU 15 3.998 1.158 -7.509
135 2HD2 LEU 15 2HD2 LEU 15 3.046 -0.083 -6.694
136 3HD2 LEU 15 3HD2 LEU 15 2.315 1.474 -7.086
137 HA PRO 16 HA PRO 16 8.154 -3.341 -10.025
138 1HB PRO 16 2HB PRO 16 6.795 -5.720 -9.295
139 2HB PRO 16 1HB PRO 16 8.084 -4.914 -8.404
140 1HG PRO 16 2HG PRO 16 5.145 -4.785 -8.005
141 2HG PRO 16 1HG PRO 16 6.451 -4.639 -6.817
142 1HD PRO 16 2HD PRO 16 5.053 -2.504 -7.624
143 2HD PRO 16 1HD PRO 16 6.793 -2.391 -7.289
144 H ASP 17 H ASP 17 4.734 -3.840 -10.650
145 HA ASP 17 HA ASP 17 5.374 -4.521 -13.425
146 1HB ASP 17 2HB ASP 17 3.813 -6.361 -13.458
147 2HB ASP 17 1HB ASP 17 4.965 -6.645 -12.157
148 H GLY 18 H GLY 18 4.120 -2.232 -11.724
149 1HA GLY 18 2HA GLY 18 1.415 -2.364 -12.864
150 2HA GLY 18 1HA GLY 18 1.734 -1.735 -11.263
151 H SER 19 H SER 19 3.906 -0.950 -13.837
152 HA SER 19 HA SER 19 4.259 0.925 -15.079
153 1HB SER 19 2HB SER 19 1.290 1.284 -14.641
154 2HB SER 19 1HB SER 19 2.253 2.196 -15.807
155 HG SER 19 HG SER 19 1.897 0.607 -17.124
156 H ILE 20 H ILE 20 3.494 3.481 -15.010
157 HA ILE 20 HA ILE 20 4.525 4.425 -12.507
158 HB ILE 20 HB ILE 20 4.088 6.712 -13.528
159 1HG1 ILE 20 2HG1 ILE 20 3.467 5.024 -15.968
160 2HG1 ILE 20 1HG1 ILE 20 2.318 6.036 -15.099
161 1HG2 ILE 20 1HG2 ILE 20 5.842 4.783 -15.037
162 2HG2 ILE 20 2HG2 ILE 20 6.272 5.650 -13.565
163 3HG2 ILE 20 3HG2 ILE 20 5.988 6.541 -15.061
164 1HD1 ILE 20 1HD1 ILE 20 3.086 7.110 -17.140
165 2HD1 ILE 20 2HD1 ILE 20 4.755 7.010 -16.573
166 3HD1 ILE 20 3HD1 ILE 20 3.591 8.020 -15.716
167 H MET 21 H MET 21 3.243 4.346 -10.789
168 HA MET 21 HA MET 21 0.418 5.044 -11.073
169 1HB MET 21 2HB MET 21 1.029 2.983 -9.823
170 2HB MET 21 1HB MET 21 1.910 3.974 -8.666
171 1HG MET 21 2HG MET 21 -0.145 5.077 -8.007
172 2HG MET 21 1HG MET 21 -1.045 4.165 -9.216
173 1HE MET 21 1HE MET 21 -2.779 3.376 -7.407
174 2HE MET 21 2HE MET 21 -1.921 4.282 -6.160
175 3HE MET 21 3HE MET 21 -2.338 2.590 -5.892
176 H THR 22 H THR 22 -0.300 6.993 -10.558
177 HA THR 22 HA THR 22 1.528 8.812 -9.153
178 HB THR 22 HB THR 22 -0.956 9.594 -10.689
179 HG1 THR 22 HG1 THR 22 0.316 8.546 -12.196
180 1HG2 THR 22 1HG2 THR 22 1.574 11.076 -9.969
181 2HG2 THR 22 2HG2 THR 22 -0.012 11.303 -9.231
182 3HG2 THR 22 3HG2 THR 22 0.243 11.731 -10.925
183 H ARG 23 H ARG 23 0.474 10.340 -7.586
184 HA ARG 23 HA ARG 23 -1.138 8.833 -5.778
185 1HB ARG 23 2HB ARG 23 -0.950 10.669 -4.274
186 2HB ARG 23 1HB ARG 23 0.598 10.510 -5.091
187 1HG ARG 23 2HG ARG 23 -0.063 12.353 -6.602
188 2HG ARG 23 1HG ARG 23 -1.538 12.554 -5.651
189 1HD ARG 23 2HD ARG 23 1.313 12.953 -4.781
190 2HD ARG 23 1HD ARG 23 0.017 14.146 -4.836
191 HE ARG 23 HE ARG 23 0.183 11.919 -2.907
192 1HH1 ARG 23 1HH1 ARG 23 -0.950 15.108 -3.817
193 2HH1 ARG 23 2HH1 ARG 23 -1.598 15.461 -2.238
194 1HH2 ARG 23 1HH2 ARG 23 -0.656 12.365 -0.847
195 2HH2 ARG 23 2HH2 ARG 23 -1.429 13.895 -0.540
196 H ALA 24 H ALA 24 -1.916 10.570 -8.493
197 HA ALA 24 HA ALA 24 -4.524 11.469 -7.658
198 1HB ALA 24 1HB ALA 24 -4.873 12.001 -10.009
199 2HB ALA 24 2HB ALA 24 -3.403 11.130 -10.443
200 3HB ALA 24 3HB ALA 24 -3.305 12.602 -9.475
201 H ASP 25 H ASP 25 -3.098 8.534 -8.543
202 HA ASP 25 HA ASP 25 -5.540 7.280 -9.505
203 1HB ASP 25 2HB ASP 25 -2.801 6.127 -8.903
204 2HB ASP 25 1HB ASP 25 -4.144 5.206 -9.562
205 H LEU 26 H LEU 26 -4.502 8.242 -6.584
206 HA LEU 26 HA LEU 26 -4.923 5.827 -5.073
207 1HB LEU 26 2HB LEU 26 -4.404 8.671 -4.226
208 2HB LEU 26 1HB LEU 26 -4.626 7.350 -3.095
209 HG LEU 26 HG LEU 26 -2.406 7.581 -5.129
210 1HD1 LEU 26 1HD1 LEU 26 -2.390 7.828 -2.126
211 2HD1 LEU 26 2HD1 LEU 26 -2.149 9.137 -3.282
212 3HD1 LEU 26 3HD1 LEU 26 -0.965 7.834 -3.165
213 1HD2 LEU 26 1HD2 LEU 26 -2.898 5.485 -3.018
214 2HD2 LEU 26 2HD2 LEU 26 -1.478 5.597 -4.057
215 3HD2 LEU 26 3HD2 LEU 26 -3.061 5.257 -4.756
216 HA PRO 27 HA PRO 27 -9.377 6.087 -4.422
217 1HB PRO 27 2HB PRO 27 -8.285 4.713 -1.985
218 2HB PRO 27 1HB PRO 27 -9.709 4.308 -2.954
219 1HG PRO 27 2HG PRO 27 -7.522 2.902 -3.294
220 2HG PRO 27 1HG PRO 27 -8.405 3.471 -4.718
221 1HD PRO 27 2HD PRO 27 -5.888 4.532 -3.509
222 2HD PRO 27 1HD PRO 27 -6.324 4.342 -5.221
223 HA PRO 28 HA PRO 28 -9.125 9.729 -1.817
224 1HB PRO 28 2HB PRO 28 -11.678 10.521 -2.145
225 2HB PRO 28 1HB PRO 28 -10.473 10.684 -3.425
226 1HG PRO 28 2HG PRO 28 -12.585 8.596 -3.068
227 2HG PRO 28 1HG PRO 28 -12.090 9.445 -4.545
228 1HD PRO 28 2HD PRO 28 -11.262 6.926 -3.907
229 2HD PRO 28 1HD PRO 28 -10.301 8.050 -4.887
230 H ALA 29 H ALA 29 -9.422 7.241 -0.457
231 HA ALA 29 HA ALA 29 -10.040 6.397 1.553
232 1HB ALA 29 1HB ALA 29 -11.356 9.068 2.042
233 2HB ALA 29 2HB ALA 29 -9.692 8.647 2.449
234 3HB ALA 29 3HB ALA 29 -11.032 7.831 3.255
235 H ASN 30 H ASN 30 -12.803 8.378 0.425
236 HA ASN 30 HA ASN 30 -14.577 6.111 0.995
237 1HB ASN 30 2HB ASN 30 -15.171 8.993 0.298
238 2HB ASN 30 1HB ASN 30 -16.413 7.756 0.461
239 1HD2 ASN 30 1HD2 ASN 30 -14.151 9.772 2.090
240 2HD2 ASN 30 2HD2 ASN 30 -14.702 9.451 3.701
241 H THR 31 H THR 31 -12.902 5.579 -0.979
242 HA THR 31 HA THR 31 -13.475 6.122 -3.612
243 HB THR 31 HB THR 31 -12.937 3.306 -2.750
244 HG1 THR 31 HG1 THR 31 -11.370 4.035 -1.542
245 1HG2 THR 31 1HG2 THR 31 -12.990 3.859 -5.144
246 2HG2 THR 31 2HG2 THR 31 -11.369 3.391 -4.628
247 3HG2 THR 31 3HG2 THR 31 -11.756 5.092 -4.884
248 H ARG 32 H ARG 32 -15.186 5.659 -4.960
249 HA ARG 32 HA ARG 32 -17.442 4.227 -3.849
250 1HB ARG 32 2HB ARG 32 -17.044 5.687 -6.451
251 2HB ARG 32 1HB ARG 32 -18.518 4.807 -6.072
252 1HG ARG 32 2HG ARG 32 -18.717 6.235 -4.014
253 2HG ARG 32 1HG ARG 32 -17.393 7.208 -4.657
254 1HD ARG 32 2HD ARG 32 -19.569 8.184 -5.200
255 2HD ARG 32 1HD ARG 32 -18.701 7.692 -6.654
256 HE ARG 32 HE ARG 32 -20.231 5.532 -6.125
257 1HH1 ARG 32 1HH1 ARG 32 -20.974 8.951 -6.434
258 2HH1 ARG 32 2HH1 ARG 32 -22.593 8.667 -6.994
259 1HH2 ARG 32 1HH2 ARG 32 -22.374 5.179 -6.847
260 2HH2 ARG 32 2HH2 ARG 32 -23.390 6.551 -7.200
261 H ARG 33 H ARG 33 -14.720 3.421 -5.648
262 HA ARG 33 HA ARG 33 -15.971 0.860 -6.370
263 1HB ARG 33 2HB ARG 33 -13.768 2.236 -7.924
264 2HB ARG 33 1HB ARG 33 -14.449 0.659 -8.285
265 1HG ARG 33 2HG ARG 33 -15.509 1.997 -9.812
266 2HG ARG 33 1HG ARG 33 -16.684 1.971 -8.496
267 1HD ARG 33 2HD ARG 33 -15.908 4.113 -7.705
268 2HD ARG 33 1HD ARG 33 -14.616 4.123 -8.904
269 HE ARG 33 HE ARG 33 -17.227 3.904 -10.077
270 1HH1 ARG 33 1HH1 ARG 33 -14.881 6.146 -8.761
271 2HH1 ARG 33 2HH1 ARG 33 -15.442 7.489 -9.701
272 1HH2 ARG 33 1HH2 ARG 33 -17.968 5.692 -11.335
273 2HH2 ARG 33 2HH2 ARG 33 -17.188 7.240 -11.145
274 H TRP 34 H TRP 34 -15.273 0.041 -4.328
275 HA TRP 34 HA TRP 34 -12.397 -0.173 -3.935
276 1HB TRP 34 2HB TRP 34 -14.772 -0.969 -2.285
277 2HB TRP 34 1HB TRP 34 -13.189 -1.668 -1.954
278 HD1 TRP 34 HD1 TRP 34 -15.285 1.224 -1.062
279 HE1 TRP 34 HE1 TRP 34 -13.900 2.985 0.209
280 HE3 TRP 34 HE3 TRP 34 -10.601 -0.550 -2.071
281 HZ2 TRP 34 HZ2 TRP 34 -11.168 3.546 0.712
282 HZ3 TRP 34 HZ3 TRP 34 -8.659 0.655 -1.165
283 HH2 TRP 34 HH2 TRP 34 -8.940 2.657 0.192
284 H VAL 35 H VAL 35 -12.437 -1.303 -6.132
285 HA VAL 35 HA VAL 35 -13.133 -4.101 -6.032
286 HB VAL 35 HB VAL 35 -12.091 -4.279 -8.235
287 1HG1 VAL 35 1HG1 VAL 35 -13.815 -1.817 -7.963
288 2HG1 VAL 35 2HG1 VAL 35 -14.381 -3.482 -8.129
289 3HG1 VAL 35 3HG1 VAL 35 -13.525 -2.704 -9.462
290 1HG2 VAL 35 1HG2 VAL 35 -11.100 -2.330 -9.343
291 2HG2 VAL 35 2HG2 VAL 35 -10.194 -2.787 -7.899
292 3HG2 VAL 35 3HG2 VAL 35 -11.280 -1.398 -7.856
293 H ALA 36 H ALA 36 -11.483 -5.796 -6.343
294 HA ALA 36 HA ALA 36 -9.657 -5.785 -4.239
295 1HB ALA 36 1HB ALA 36 -10.527 -7.836 -5.256
296 2HB ALA 36 2HB ALA 36 -8.764 -7.845 -5.196
297 3HB ALA 36 3HB ALA 36 -9.591 -7.510 -6.716
298 H SER 37 H SER 37 -9.049 -5.361 -7.709
299 HA SER 37 HA SER 37 -6.284 -5.080 -7.589
300 1HB SER 37 2HB SER 37 -8.151 -3.713 -9.537
301 2HB SER 37 1HB SER 37 -6.444 -4.080 -9.792
302 HG SER 37 HG SER 37 -7.149 -5.881 -10.590
303 H ARG 38 H ARG 38 -8.788 -2.798 -6.767
304 HA ARG 38 HA ARG 38 -7.038 -0.510 -6.989
305 1HB ARG 38 2HB ARG 38 -9.387 -0.217 -7.519
306 2HB ARG 38 1HB ARG 38 -9.845 -0.733 -5.900
307 1HG ARG 38 2HG ARG 38 -9.219 1.243 -4.941
308 2HG ARG 38 1HG ARG 38 -8.006 1.584 -6.176
309 1HD ARG 38 2HD ARG 38 -10.977 1.658 -6.664
310 2HD ARG 38 1HD ARG 38 -10.013 3.071 -6.240
311 HE ARG 38 HE ARG 38 -8.997 1.645 -8.526
312 1HH1 ARG 38 1HH1 ARG 38 -11.288 4.081 -7.462
313 2HH1 ARG 38 2HH1 ARG 38 -11.320 4.896 -8.996
314 1HH2 ARG 38 1HH2 ARG 38 -9.057 2.729 -10.538
315 2HH2 ARG 38 2HH2 ARG 38 -10.073 4.123 -10.730
316 H LYS 39 H LYS 39 -8.540 -2.336 -4.286
317 HA LYS 39 HA LYS 39 -7.205 -0.762 -2.337
318 1HB LYS 39 2HB LYS 39 -7.687 -2.725 -0.791
319 2HB LYS 39 1HB LYS 39 -9.058 -1.889 -1.494
320 1HG LYS 39 2HG LYS 39 -9.341 -3.678 -3.115
321 2HG LYS 39 1HG LYS 39 -7.926 -4.506 -2.458
322 1HD LYS 39 2HD LYS 39 -10.088 -5.413 -1.615
323 2HD LYS 39 1HD LYS 39 -9.024 -4.821 -0.339
324 1HE LYS 39 2HE LYS 39 -10.295 -2.729 -0.253
325 2HE LYS 39 1HE LYS 39 -11.358 -3.318 -1.530
326 1HZ LYS 39 1HZ LYS 39 -11.039 -4.580 1.152
327 2HZ LYS 39 2HZ LYS 39 -12.100 -5.079 -0.079
328 3HZ LYS 39 3HZ LYS 39 -12.330 -3.584 0.682
329 H ILE 40 H ILE 40 -6.311 -3.705 -4.065
330 HA ILE 40 HA ILE 40 -3.884 -4.199 -2.741
331 HB ILE 40 HB ILE 40 -4.708 -4.702 -5.606
332 1HG1 ILE 40 2HG1 ILE 40 -5.998 -5.975 -4.008
333 2HG1 ILE 40 1HG1 ILE 40 -4.872 -7.058 -4.816
334 1HG2 ILE 40 1HG2 ILE 40 -2.238 -5.677 -4.181
335 2HG2 ILE 40 2HG2 ILE 40 -2.295 -4.561 -5.544
336 3HG2 ILE 40 3HG2 ILE 40 -2.795 -6.239 -5.758
337 1HD1 ILE 40 1HD1 ILE 40 -3.404 -6.995 -2.878
338 2HD1 ILE 40 2HD1 ILE 40 -5.027 -7.527 -2.438
339 3HD1 ILE 40 3HD1 ILE 40 -4.511 -5.884 -2.070
340 H ALA 41 H ALA 41 -4.762 -1.950 -5.305
341 HA ALA 41 HA ALA 41 -2.134 -1.053 -5.878
342 1HB ALA 41 1HB ALA 41 -4.756 0.387 -6.269
343 2HB ALA 41 2HB ALA 41 -4.002 -0.712 -7.424
344 3HB ALA 41 3HB ALA 41 -3.214 0.814 -7.016
345 H VAL 42 H VAL 42 -4.513 -0.188 -3.449
346 HA VAL 42 HA VAL 42 -3.405 2.258 -2.628
347 HB VAL 42 HB VAL 42 -4.784 0.263 -0.814
348 1HG1 VAL 42 1HG1 VAL 42 -5.402 2.232 0.487
349 2HG1 VAL 42 2HG1 VAL 42 -4.534 3.266 -0.646
350 3HG1 VAL 42 3HG1 VAL 42 -3.649 2.105 0.345
351 1HG2 VAL 42 1HG2 VAL 42 -6.854 1.452 -1.349
352 2HG2 VAL 42 2HG2 VAL 42 -6.152 0.697 -2.781
353 3HG2 VAL 42 3HG2 VAL 42 -5.979 2.433 -2.525
354 H VAL 43 H VAL 43 -2.933 -1.011 -1.277
355 HA VAL 43 HA VAL 43 -0.918 -0.297 0.540
356 HB VAL 43 HB VAL 43 -0.239 -2.887 -0.139
357 1HG1 VAL 43 1HG1 VAL 43 -0.590 -2.023 2.102
358 2HG1 VAL 43 2HG1 VAL 43 -1.514 -3.504 1.853
359 3HG1 VAL 43 3HG1 VAL 43 -2.330 -1.940 1.816
360 1HG2 VAL 43 1HG2 VAL 43 -3.217 -2.543 -0.504
361 2HG2 VAL 43 2HG2 VAL 43 -2.378 -4.085 -0.339
362 3HG2 VAL 43 3HG2 VAL 43 -2.065 -3.055 -1.737
363 H ARG 44 H ARG 44 -0.693 -1.364 -2.832
364 HA ARG 44 HA ARG 44 2.117 -1.452 -2.979
365 1HB ARG 44 2HB ARG 44 0.036 -0.934 -5.107
366 2HB ARG 44 1HB ARG 44 1.752 -1.077 -5.458
367 1HG ARG 44 2HG ARG 44 1.724 -3.365 -4.532
368 2HG ARG 44 1HG ARG 44 -0.017 -3.212 -4.274
369 1HD ARG 44 2HD ARG 44 -0.370 -2.910 -6.653
370 2HD ARG 44 1HD ARG 44 1.368 -2.949 -6.941
371 HE ARG 44 HE ARG 44 -0.059 -5.284 -5.837
372 1HH1 ARG 44 1HH1 ARG 44 2.017 -3.839 -8.244
373 2HH1 ARG 44 2HH1 ARG 44 2.421 -5.350 -9.009
374 1HH2 ARG 44 1HH2 ARG 44 0.446 -7.286 -6.843
375 2HH2 ARG 44 2HH2 ARG 44 1.544 -7.305 -8.196
376 H GLY 45 H GLY 45 -0.188 1.150 -3.673
377 1HA GLY 45 2HA GLY 45 1.725 3.007 -4.603
378 2HA GLY 45 1HA GLY 45 0.098 3.385 -4.060
379 H VAL 46 H VAL 46 0.405 2.436 -1.355
380 HA VAL 46 HA VAL 46 1.728 4.778 -0.346
381 HB VAL 46 HB VAL 46 1.003 4.038 1.903
382 1HG1 VAL 46 1HG1 VAL 46 -1.405 4.309 1.503
383 2HG1 VAL 46 2HG1 VAL 46 -1.135 4.044 -0.219
384 3HG1 VAL 46 3HG1 VAL 46 -0.436 5.454 0.577
385 1HG2 VAL 46 1HG2 VAL 46 1.070 1.618 1.608
386 2HG2 VAL 46 2HG2 VAL 46 -0.250 1.713 0.443
387 3HG2 VAL 46 3HG2 VAL 46 -0.531 2.140 2.130
388 H ILE 47 H ILE 47 2.195 1.282 0.234
389 HA ILE 47 HA ILE 47 4.399 1.630 1.967
390 HB ILE 47 HB ILE 47 3.514 -0.803 0.407
391 1HG1 ILE 47 2HG1 ILE 47 3.022 0.008 3.279
392 2HG1 ILE 47 1HG1 ILE 47 1.831 0.044 1.984
393 1HG2 ILE 47 1HG2 ILE 47 5.848 -1.018 1.052
394 2HG2 ILE 47 2HG2 ILE 47 4.834 -2.115 1.989
395 3HG2 ILE 47 3HG2 ILE 47 5.440 -0.628 2.722
396 1HD1 ILE 47 1HD1 ILE 47 3.197 -2.426 3.030
397 2HD1 ILE 47 2HD1 ILE 47 1.957 -2.367 1.778
398 3HD1 ILE 47 3HD1 ILE 47 1.560 -1.901 3.434
399 H TYR 48 H TYR 48 4.213 0.708 -1.458
400 HA TYR 48 HA TYR 48 7.099 0.552 -1.660
401 1HB TYR 48 2HB TYR 48 5.638 -1.042 -2.871
402 2HB TYR 48 1HB TYR 48 4.958 0.299 -3.783
403 HD1 TYR 48 HD1 TYR 48 5.966 1.045 -5.745
404 HD2 TYR 48 HD2 TYR 48 8.118 -1.558 -3.163
405 HE1 TYR 48 HE1 TYR 48 7.695 0.775 -7.472
406 HE2 TYR 48 HE2 TYR 48 9.857 -1.832 -4.881
407 HH TYR 48 HH TYR 48 9.973 0.143 -7.710
408 H GLY 49 H GLY 49 4.617 2.859 -2.140
409 1HA GLY 49 2HA GLY 49 6.210 4.319 -4.112
410 2HA GLY 49 1HA GLY 49 4.493 4.523 -3.835
411 H LEU 50 H LEU 50 3.998 5.403 -1.485
412 HA LEU 50 HA LEU 50 5.566 7.886 -1.641
413 1HB LEU 50 2HB LEU 50 2.645 7.422 -1.149
414 2HB LEU 50 1HB LEU 50 3.413 8.937 -0.728
415 HG LEU 50 HG LEU 50 4.145 9.086 -3.164
416 1HD1 LEU 50 1HD1 LEU 50 2.056 6.935 -3.454
417 2HD1 LEU 50 2HD1 LEU 50 3.778 6.766 -3.794
418 3HD1 LEU 50 3HD1 LEU 50 2.786 7.846 -4.775
419 1HD2 LEU 50 1HD2 LEU 50 1.215 9.171 -2.481
420 2HD2 LEU 50 2HD2 LEU 50 1.965 9.949 -3.875
421 3HD2 LEU 50 3HD2 LEU 50 2.385 10.468 -2.241
422 H ILE 51 H ILE 51 3.304 6.594 0.830
423 HA ILE 51 HA ILE 51 5.141 7.789 2.790
424 HB ILE 51 HB ILE 51 3.367 8.681 4.063
425 1HG1 ILE 51 2HG1 ILE 51 1.765 6.809 3.814
426 2HG1 ILE 51 1HG1 ILE 51 1.006 8.381 3.608
427 1HG2 ILE 51 1HG2 ILE 51 2.253 10.220 2.504
428 2HG2 ILE 51 2HG2 ILE 51 2.819 9.236 1.156
429 3HG2 ILE 51 3HG2 ILE 51 3.981 10.065 2.191
430 1HD1 ILE 51 1HD1 ILE 51 0.956 8.064 1.208
431 2HD1 ILE 51 2HD1 ILE 51 0.175 6.712 2.030
432 3HD1 ILE 51 3HD1 ILE 51 1.801 6.524 1.374
433 H THR 52 H THR 52 4.440 7.147 5.099
434 HA THR 52 HA THR 52 4.762 4.294 5.213
435 HB THR 52 HB THR 52 4.850 4.712 7.703
436 HG1 THR 52 HG1 THR 52 5.194 7.087 8.121
437 1HG2 THR 52 1HG2 THR 52 6.710 6.340 5.964
438 2HG2 THR 52 2HG2 THR 52 6.880 4.624 6.337
439 3HG2 THR 52 3HG2 THR 52 7.038 5.827 7.618
440 H LEU 53 H LEU 53 3.520 3.111 7.002
441 HA LEU 53 HA LEU 53 0.809 2.982 6.223
442 1HB LEU 53 2HB LEU 53 1.875 0.993 6.986
443 2HB LEU 53 1HB LEU 53 2.351 1.742 8.497
444 HG LEU 53 HG LEU 53 0.005 1.782 9.225
445 1HD1 LEU 53 1HD1 LEU 53 -1.696 0.569 7.952
446 2HD1 LEU 53 2HD1 LEU 53 -0.541 0.332 6.639
447 3HD1 LEU 53 3HD1 LEU 53 -1.082 1.959 7.056
448 1HD2 LEU 53 1HD2 LEU 53 -0.259 -0.609 9.567
449 2HD2 LEU 53 2HD2 LEU 53 1.425 -0.134 9.777
450 3HD2 LEU 53 3HD2 LEU 53 0.916 -0.937 8.293
451 H ALA 54 H ALA 54 2.429 4.765 8.717
452 HA ALA 54 HA ALA 54 0.340 5.172 10.523
453 1HB ALA 54 1HB ALA 54 2.545 7.094 9.778
454 2HB ALA 54 2HB ALA 54 2.657 5.806 10.977
455 3HB ALA 54 3HB ALA 54 1.560 7.158 11.240
456 H GLU 55 H GLU 55 1.320 7.207 7.767
457 HA GLU 55 HA GLU 55 -0.796 9.062 8.017
458 1HB GLU 55 2HB GLU 55 1.479 9.035 6.611
459 2HB GLU 55 1HB GLU 55 0.398 8.490 5.342
460 1HG GLU 55 2HG GLU 55 0.091 11.037 6.915
461 2HG GLU 55 1HG GLU 55 0.785 10.912 5.302
462 H ALA 56 H ALA 56 -0.366 6.139 6.079
463 HA ALA 56 HA ALA 56 -2.849 6.350 4.694
464 1HB ALA 56 1HB ALA 56 -1.100 3.929 5.123
465 2HB ALA 56 2HB ALA 56 -0.953 5.084 3.797
466 3HB ALA 56 3HB ALA 56 -2.397 4.080 3.939
467 H LYS 57 H LYS 57 -2.163 5.519 7.897
468 HA LYS 57 HA LYS 57 -4.529 3.821 8.124
469 1HB LYS 57 2HB LYS 57 -2.487 3.173 9.354
470 2HB LYS 57 1HB LYS 57 -2.564 4.680 10.256
471 1HG LYS 57 2HG LYS 57 -4.626 4.014 11.295
472 2HG LYS 57 1HG LYS 57 -4.706 2.563 10.293
473 1HD LYS 57 2HD LYS 57 -2.510 3.172 12.273
474 2HD LYS 57 1HD LYS 57 -3.900 2.137 12.600
475 1HE LYS 57 2HE LYS 57 -1.903 1.671 10.390
476 2HE LYS 57 1HE LYS 57 -1.842 0.889 11.969
477 1HZ LYS 57 1HZ LYS 57 -2.899 -0.531 10.321
478 2HZ LYS 57 2HZ LYS 57 -4.071 0.651 10.006
479 3HZ LYS 57 3HZ LYS 57 -4.010 -0.099 11.529
480 H GLN 58 H GLN 58 -3.292 6.925 9.337
481 HA GLN 58 HA GLN 58 -5.662 7.593 10.730
482 1HB GLN 58 2HB GLN 58 -3.246 9.096 9.846
483 2HB GLN 58 1HB GLN 58 -4.668 10.020 10.310
484 1HG GLN 58 2HG GLN 58 -3.238 9.810 12.208
485 2HG GLN 58 1HG GLN 58 -4.676 8.831 12.479
486 1HE2 GLN 58 1HE2 GLN 58 -1.267 8.850 12.026
487 2HE2 GLN 58 2HE2 GLN 58 -1.002 7.171 12.354
488 H THR 59 H THR 59 -4.673 7.961 7.396
489 HA THR 59 HA THR 59 -7.119 9.466 6.846
490 HB THR 59 HB THR 59 -4.808 8.852 4.998
491 HG1 THR 59 HG1 THR 59 -3.910 10.416 6.138
492 1HG2 THR 59 1HG2 THR 59 -6.919 9.233 3.804
493 2HG2 THR 59 2HG2 THR 59 -5.793 10.565 3.551
494 3HG2 THR 59 3HG2 THR 59 -7.141 10.750 4.674
495 H TYR 60 H TYR 60 -5.426 6.540 5.613
496 HA TYR 60 HA TYR 60 -7.927 5.813 4.255
497 1HB TYR 60 2HB TYR 60 -5.188 4.698 3.679
498 2HB TYR 60 1HB TYR 60 -6.645 4.492 2.720
499 HD1 TYR 60 HD1 TYR 60 -7.686 6.670 1.731
500 HD2 TYR 60 HD2 TYR 60 -3.678 6.361 3.120
501 HE1 TYR 60 HE1 TYR 60 -7.065 8.613 0.356
502 HE2 TYR 60 HE2 TYR 60 -3.047 8.303 1.755
503 HH TYR 60 HH TYR 60 -3.869 9.454 -0.294
504 H GLY 61 H GLY 61 -7.071 5.269 7.121
505 1HA GLY 61 2HA GLY 61 -6.040 2.727 7.476
506 2HA GLY 61 1HA GLY 61 -7.015 3.580 8.652
507 H LEU 62 H LEU 62 -9.349 3.577 6.777
508 HA LEU 62 HA LEU 62 -11.305 2.404 6.672
509 1HB LEU 62 2HB LEU 62 -10.011 -0.203 6.169
510 2HB LEU 62 1HB LEU 62 -11.291 0.601 5.292
511 HG LEU 62 HG LEU 62 -9.011 2.110 4.734
512 1HD1 LEU 62 1HD1 LEU 62 -7.587 0.368 5.629
513 2HD1 LEU 62 2HD1 LEU 62 -7.439 0.417 3.871
514 3HD1 LEU 62 3HD1 LEU 62 -8.404 -0.842 4.640
515 1HD2 LEU 62 1HD2 LEU 62 -10.873 1.565 3.222
516 2HD2 LEU 62 2HD2 LEU 62 -10.260 -0.087 3.100
517 3HD2 LEU 62 3HD2 LEU 62 -9.293 1.260 2.495
518 H SER 63 H SER 63 -9.718 -0.544 7.474
519 HA SER 63 HA SER 63 -10.113 -0.280 10.331
520 1HB SER 63 2HB SER 63 -11.288 -2.594 8.755
521 2HB SER 63 1HB SER 63 -11.301 -2.425 10.510
522 HG SER 63 HG SER 63 -12.354 -0.220 9.660
523 H ASP 64 H ASP 64 -8.644 -1.602 11.467
524 HA ASP 64 HA ASP 64 -6.202 -1.989 10.210
525 1HB ASP 64 2HB ASP 64 -7.313 -3.025 12.801
526 2HB ASP 64 1HB ASP 64 -5.705 -3.501 12.261
527 H GLU 65 H GLU 65 -8.654 -4.448 11.017
528 HA GLU 65 HA GLU 65 -7.184 -6.643 10.061
529 1HB GLU 65 2HB GLU 65 -9.367 -6.557 11.474
530 2HB GLU 65 1HB GLU 65 -10.178 -6.566 9.915
531 1HG GLU 65 2HG GLU 65 -10.069 -8.807 10.683
532 2HG GLU 65 1HG GLU 65 -8.921 -8.641 9.354
533 H GLU 66 H GLU 66 -9.358 -4.413 8.420
534 HA GLU 66 HA GLU 66 -9.599 -5.714 5.950
535 1HB GLU 66 2HB GLU 66 -10.936 -3.743 6.520
536 2HB GLU 66 1HB GLU 66 -9.490 -2.750 6.574
537 1HG GLU 66 2HG GLU 66 -10.624 -2.297 4.538
538 2HG GLU 66 1HG GLU 66 -9.158 -3.194 4.155
539 H PHE 67 H PHE 67 -7.279 -3.233 6.998
540 HA PHE 67 HA PHE 67 -5.760 -3.205 4.637
541 1HB PHE 67 2HB PHE 67 -5.765 -1.463 6.469
542 2HB PHE 67 1HB PHE 67 -4.747 -2.544 7.412
543 HD1 PHE 67 HD1 PHE 67 -4.910 -0.264 4.588
544 HD2 PHE 67 HD2 PHE 67 -2.442 -2.984 6.728
545 HE1 PHE 67 HE1 PHE 67 -2.924 0.666 3.471
546 HE2 PHE 67 HE2 PHE 67 -0.450 -2.063 5.617
547 HZ PHE 67 HZ PHE 67 -0.691 -0.233 3.985
548 H ASN 68 H ASN 68 -5.456 -5.074 7.632
549 HA ASN 68 HA ASN 68 -3.000 -6.318 7.149
550 1HB ASN 68 2HB ASN 68 -5.446 -7.386 8.575
551 2HB ASN 68 1HB ASN 68 -3.887 -8.198 8.568
552 1HD2 ASN 68 1HD2 ASN 68 -5.371 -7.254 10.812
553 2HD2 ASN 68 2HD2 ASN 68 -4.387 -6.067 11.613
554 H SER 69 H SER 69 -6.240 -7.155 6.069
555 HA SER 69 HA SER 69 -5.659 -9.691 5.015
556 1HB SER 69 2HB SER 69 -7.790 -7.725 4.145
557 2HB SER 69 1HB SER 69 -7.778 -9.455 3.803
558 HG SER 69 HG SER 69 -7.971 -8.196 6.348
559 H TRP 70 H TRP 70 -5.365 -6.460 3.663
560 HA TRP 70 HA TRP 70 -4.960 -7.206 0.966
561 1HB TRP 70 2HB TRP 70 -3.825 -4.791 2.400
562 2HB TRP 70 1HB TRP 70 -3.999 -4.982 0.661
563 HD1 TRP 70 HD1 TRP 70 -7.106 -6.296 1.959
564 HE1 TRP 70 HE1 TRP 70 -8.962 -4.511 2.017
565 HE3 TRP 70 HE3 TRP 70 -4.218 -2.130 1.317
566 HZ2 TRP 70 HZ2 TRP 70 -9.163 -1.700 1.778
567 HZ3 TRP 70 HZ3 TRP 70 -5.320 0.068 1.234
568 HH2 TRP 70 HH2 TRP 70 -7.740 0.276 1.460
569 H VAL 71 H VAL 71 -2.653 -6.357 3.527
570 HA VAL 71 HA VAL 71 -0.340 -6.892 2.006
571 HB VAL 71 HB VAL 71 -0.559 -6.986 5.014
572 1HG1 VAL 71 1HG1 VAL 71 1.798 -6.306 4.959
573 2HG1 VAL 71 2HG1 VAL 71 1.772 -6.391 3.197
574 3HG1 VAL 71 3HG1 VAL 71 1.546 -7.855 4.152
575 1HG2 VAL 71 1HG2 VAL 71 -1.520 -4.910 4.204
576 2HG2 VAL 71 2HG2 VAL 71 -0.090 -4.615 3.215
577 3HG2 VAL 71 3HG2 VAL 71 0.038 -4.604 4.972
578 H SER 72 H SER 72 -2.305 -8.898 4.134
579 HA SER 72 HA SER 72 -0.522 -11.067 4.334
580 1HB SER 72 2HB SER 72 -2.563 -10.673 5.762
581 2HB SER 72 1HB SER 72 -3.541 -11.224 4.404
582 HG SER 72 HG SER 72 -3.211 -13.013 5.608
583 H ALA 73 H ALA 73 -2.894 -10.169 1.898
584 HA ALA 73 HA ALA 73 -2.705 -12.678 0.493
585 1HB ALA 73 1HB ALA 73 -4.082 -11.581 -1.209
586 2HB ALA 73 2HB ALA 73 -3.894 -10.041 -0.370
587 3HB ALA 73 3HB ALA 73 -4.761 -11.367 0.406
588 H LEU 74 H LEU 74 -1.226 -9.527 0.354
589 HA LEU 74 HA LEU 74 0.051 -9.945 -2.184
590 1HB LEU 74 2HB LEU 74 0.345 -7.830 -0.053
591 2HB LEU 74 1HB LEU 74 1.254 -7.818 -1.558
592 HG LEU 74 HG LEU 74 -1.755 -7.727 -1.353
593 1HD1 LEU 74 1HD1 LEU 74 -0.742 -5.670 -0.550
594 2HD1 LEU 74 2HD1 LEU 74 -1.541 -5.416 -2.105
595 3HD1 LEU 74 3HD1 LEU 74 0.219 -5.554 -2.024
596 1HD2 LEU 74 1HD2 LEU 74 -0.972 -8.824 -3.380
597 2HD2 LEU 74 2HD2 LEU 74 0.076 -7.448 -3.728
598 3HD2 LEU 74 3HD2 LEU 74 -1.677 -7.248 -3.742
599 H ALA 75 H ALA 75 0.747 -10.661 1.093
600 HA ALA 75 HA ALA 75 3.570 -11.017 0.763
601 1HB ALA 75 1HB ALA 75 1.722 -12.132 2.873
602 2HB ALA 75 2HB ALA 75 2.573 -10.589 2.960
603 3HB ALA 75 3HB ALA 75 3.483 -12.099 2.945
604 H GLU 76 H GLU 76 0.870 -12.669 -0.267
605 HA GLU 76 HA GLU 76 0.505 -14.601 -1.360
606 1HB GLU 76 2HB GLU 76 2.780 -14.044 -2.366
607 2HB GLU 76 1HB GLU 76 3.456 -15.194 -1.222
608 1HG GLU 76 2HG GLU 76 1.209 -16.214 -2.805
609 2HG GLU 76 1HG GLU 76 2.646 -15.796 -3.735
610 H HIS 77 H HIS 77 3.208 -15.472 0.796
611 HA HIS 77 HA HIS 77 1.597 -17.646 1.870
612 1HB HIS 77 2HB HIS 77 4.469 -16.834 2.204
613 2HB HIS 77 1HB HIS 77 3.727 -17.971 3.324
614 HD1 HIS 77 HD1 HIS 77 2.953 -20.273 2.323
615 HD2 HIS 77 HD2 HIS 77 5.181 -17.875 -0.245
616 HE1 HIS 77 HE1 HIS 77 3.683 -21.781 0.442
617 HE2 HIS 77 HE2 HIS 77 4.836 -20.256 -1.198
618 H GLY 78 H GLY 78 3.108 -14.652 2.978
619 1HA GLY 78 2HA GLY 78 2.617 -13.307 4.784
620 2HA GLY 78 1HA GLY 78 1.155 -14.260 5.024
621 H LYS 79 H LYS 79 1.326 -14.487 7.208
622 HA LYS 79 HA LYS 79 1.771 -15.636 9.116
623 1HB LYS 79 2HB LYS 79 3.739 -17.226 7.459
624 2HB LYS 79 1HB LYS 79 3.133 -17.661 9.052
625 1HG LYS 79 2HG LYS 79 1.450 -17.412 6.566
626 2HG LYS 79 1HG LYS 79 2.063 -18.923 7.236
627 1HD LYS 79 2HD LYS 79 0.820 -18.465 9.316
628 2HD LYS 79 1HD LYS 79 0.166 -17.000 8.577
629 1HE LYS 79 2HE LYS 79 -0.920 -18.317 6.859
630 2HE LYS 79 1HE LYS 79 -0.200 -19.794 7.498
631 1HZ LYS 79 1HZ LYS 79 -1.430 -19.431 9.565
632 2HZ LYS 79 2HZ LYS 79 -2.472 -19.581 8.235
633 3HZ LYS 79 3HZ LYS 79 -2.156 -18.052 8.898
634 H ASP 80 H ASP 80 4.845 -15.511 7.415
635 HA ASP 80 HA ASP 80 6.254 -14.690 9.816
636 1HB ASP 80 2HB ASP 80 7.359 -16.330 8.475
637 2HB ASP 80 1HB ASP 80 7.134 -15.379 7.012
638 H ALA 81 H ALA 81 6.000 -13.495 6.497
639 HA ALA 81 HA ALA 81 5.778 -11.431 5.604
640 1HB ALA 81 1HB ALA 81 5.234 -10.497 8.414
641 2HB ALA 81 2HB ALA 81 4.028 -11.109 7.282
642 3HB ALA 81 3HB ALA 81 4.889 -9.612 6.928
643 H LEU 82 H LEU 82 8.319 -12.290 7.476
644 HA LEU 82 HA LEU 82 9.576 -9.669 7.604
645 1HB LEU 82 2HB LEU 82 9.860 -11.256 9.462
646 2HB LEU 82 1HB LEU 82 10.625 -12.396 8.372
647 HG LEU 82 HG LEU 82 12.457 -10.750 8.003
648 1HD1 LEU 82 1HD1 LEU 82 11.113 -9.227 10.231
649 2HD1 LEU 82 2HD1 LEU 82 11.199 -8.723 8.544
650 3HD1 LEU 82 3HD1 LEU 82 12.674 -8.850 9.502
651 1HD2 LEU 82 1HD2 LEU 82 11.995 -11.500 10.888
652 2HD2 LEU 82 2HD2 LEU 82 13.546 -11.117 10.141
653 3HD2 LEU 82 3HD2 LEU 82 12.663 -12.560 9.646
654 H LYS 83 H LYS 83 9.781 -12.659 5.777
655 HA LYS 83 HA LYS 83 12.039 -11.611 4.249
656 1HB LYS 83 2HB LYS 83 10.670 -14.304 4.164
657 2HB LYS 83 1HB LYS 83 12.001 -13.843 3.111
658 1HG LYS 83 2HG LYS 83 13.089 -15.004 4.769
659 2HG LYS 83 1HG LYS 83 13.246 -13.343 5.336
660 1HD LYS 83 2HD LYS 83 11.176 -13.737 6.713
661 2HD LYS 83 1HD LYS 83 11.311 -15.441 6.287
662 1HE LYS 83 2HE LYS 83 13.584 -15.460 7.267
663 2HE LYS 83 1HE LYS 83 13.345 -13.789 7.772
664 1HZ LYS 83 1HZ LYS 83 12.811 -15.060 9.637
665 2HZ LYS 83 2HZ LYS 83 11.965 -16.215 8.734
666 3HZ LYS 83 3HZ LYS 83 11.293 -14.676 8.970
667 H VAL 84 H VAL 84 8.908 -11.036 4.166
668 HA VAL 84 HA VAL 84 8.371 -11.393 1.343
669 HB VAL 84 HB VAL 84 6.795 -9.854 3.416
670 1HG1 VAL 84 1HG1 VAL 84 4.932 -10.091 1.817
671 2HG1 VAL 84 2HG1 VAL 84 6.047 -10.811 0.656
672 3HG1 VAL 84 3HG1 VAL 84 6.266 -9.138 1.168
673 1HG2 VAL 84 1HG2 VAL 84 6.998 -12.208 4.013
674 2HG2 VAL 84 2HG2 VAL 84 6.435 -12.675 2.407
675 3HG2 VAL 84 3HG2 VAL 84 5.350 -11.831 3.512
676 H THR 85 H THR 85 8.834 -9.955 -0.209
677 HA THR 85 HA THR 85 10.693 -7.959 0.189
678 HB THR 85 HB THR 85 8.733 -8.109 -2.110
679 HG1 THR 85 HG1 THR 85 9.748 -10.076 -1.996
680 1HG2 THR 85 1HG2 THR 85 10.538 -7.054 -3.397
681 2HG2 THR 85 2HG2 THR 85 11.517 -6.942 -1.934
682 3HG2 THR 85 3HG2 THR 85 10.018 -6.022 -2.064
683 H ALA 86 H ALA 86 7.168 -7.507 -0.238
684 HA ALA 86 HA ALA 86 7.107 -4.730 -0.239
685 1HB ALA 86 1HB ALA 86 4.787 -4.892 0.428
686 2HB ALA 86 2HB ALA 86 5.036 -6.547 0.983
687 3HB ALA 86 3HB ALA 86 5.171 -6.163 -0.733
688 H LEU 87 H LEU 87 7.277 -6.908 2.518
689 HA LEU 87 HA LEU 87 6.836 -4.715 4.388
690 1HB LEU 87 2HB LEU 87 5.763 -7.029 4.593
691 2HB LEU 87 1HB LEU 87 7.349 -7.616 5.040
692 HG LEU 87 HG LEU 87 5.735 -7.158 6.937
693 1HD1 LEU 87 1HD1 LEU 87 8.382 -5.718 6.974
694 2HD1 LEU 87 2HD1 LEU 87 8.111 -7.421 7.351
695 3HD1 LEU 87 3HD1 LEU 87 7.436 -6.167 8.392
696 1HD2 LEU 87 1HD2 LEU 87 6.359 -4.307 6.197
697 2HD2 LEU 87 2HD2 LEU 87 5.567 -4.825 7.685
698 3HD2 LEU 87 3HD2 LEU 87 4.780 -5.093 6.130
699 H LYS 88 H LYS 88 9.254 -7.058 3.411
700 HA LYS 88 HA LYS 88 11.332 -6.399 5.120
701 1HB LYS 88 2HB LYS 88 11.534 -8.279 3.630
702 2HB LYS 88 1HB LYS 88 11.370 -7.243 2.219
703 1HG LYS 88 2HG LYS 88 13.512 -6.150 2.835
704 2HG LYS 88 1HG LYS 88 13.686 -7.322 4.142
705 1HD LYS 88 2HD LYS 88 13.390 -8.059 1.237
706 2HD LYS 88 1HD LYS 88 14.940 -7.910 2.070
707 1HE LYS 88 2HE LYS 88 14.338 -9.674 3.597
708 2HE LYS 88 1HE LYS 88 12.719 -9.773 2.901
709 1HZ LYS 88 1HZ LYS 88 13.625 -10.555 0.852
710 2HZ LYS 88 2HZ LYS 88 14.278 -11.509 2.099
711 3HZ LYS 88 3HZ LYS 88 15.215 -10.293 1.376
712 H LYS 89 H LYS 89 10.342 -4.905 2.049
713 HA LYS 89 HA LYS 89 12.503 -3.040 2.006
714 1HB LYS 89 2HB LYS 89 9.844 -3.035 0.587
715 2HB LYS 89 1HB LYS 89 11.042 -1.768 0.372
716 1HG LYS 89 2HG LYS 89 12.642 -3.688 -0.244
717 2HG LYS 89 1HG LYS 89 11.168 -4.640 -0.447
718 1HD LYS 89 2HD LYS 89 11.744 -3.725 -2.580
719 2HD LYS 89 1HD LYS 89 10.324 -2.862 -1.985
720 1HE LYS 89 2HE LYS 89 11.781 -1.040 -1.204
721 2HE LYS 89 1HE LYS 89 13.179 -1.897 -1.847
722 1HZ LYS 89 1HZ LYS 89 12.600 -0.318 -3.455
723 2HZ LYS 89 2HZ LYS 89 10.946 -0.660 -3.343
724 3HZ LYS 89 3HZ LYS 89 11.993 -1.787 -4.062
725 H TYR 90 H TYR 90 9.161 -2.850 3.153
726 HA TYR 90 HA TYR 90 9.136 -0.163 3.887
727 1HB TYR 90 2HB TYR 90 7.174 -1.733 3.899
728 2HB TYR 90 1HB TYR 90 7.800 -2.422 5.392
729 HD1 TYR 90 HD1 TYR 90 7.384 -1.381 7.479
730 HD2 TYR 90 HD2 TYR 90 6.474 0.677 3.868
731 HE1 TYR 90 HE1 TYR 90 6.173 0.332 8.765
732 HE2 TYR 90 HE2 TYR 90 5.267 2.396 5.142
733 HH TYR 90 HH TYR 90 5.516 2.732 8.488
734 H ARG 91 H ARG 91 10.044 -2.999 5.839
735 HA ARG 91 HA ARG 91 10.767 -1.475 8.128
736 1HB ARG 91 2HB ARG 91 10.128 -3.877 8.184
737 2HB ARG 91 1HB ARG 91 11.641 -4.268 7.376
738 1HG ARG 91 2HG ARG 91 12.814 -3.159 9.316
739 2HG ARG 91 1HG ARG 91 11.247 -3.140 10.129
740 1HD ARG 91 2HD ARG 91 11.125 -5.594 9.866
741 2HD ARG 91 1HD ARG 91 12.734 -5.571 9.136
742 HE ARG 91 HE ARG 91 12.089 -5.391 11.929
743 1HH1 ARG 91 1HH1 ARG 91 14.464 -4.502 9.501
744 2HH1 ARG 91 2HH1 ARG 91 15.754 -4.299 10.649
745 1HH2 ARG 91 1HH2 ARG 91 13.806 -5.188 13.423
746 2HH2 ARG 91 2HH2 ARG 91 15.379 -4.717 12.869
747 H GLN 92 H GLN 92 12.639 -2.946 5.504
748 HA GLN 92 HA GLN 92 15.190 -2.335 6.541
749 1HB GLN 92 2HB GLN 92 14.936 -4.040 4.852
750 2HB GLN 92 1HB GLN 92 14.264 -2.881 3.716
751 1HG GLN 92 2HG GLN 92 16.426 -1.717 3.657
752 2HG GLN 92 1HG GLN 92 17.088 -2.926 4.755
753 1HE2 GLN 92 1HE2 GLN 92 15.842 -2.343 1.544
754 2HE2 GLN 92 2HE2 GLN 92 16.532 -3.756 0.820
755 H LEU 93 H LEU 93 12.906 -0.462 4.669
756 HA LEU 93 HA LEU 93 14.763 1.549 3.877
757 1HB LEU 93 2HB LEU 93 12.722 1.239 2.645
758 2HB LEU 93 1HB LEU 93 11.756 1.557 4.067
759 HG LEU 93 HG LEU 93 12.621 3.898 4.065
760 1HD1 LEU 93 1HD1 LEU 93 13.729 4.731 2.051
761 2HD1 LEU 93 2HD1 LEU 93 13.809 3.087 1.417
762 3HD1 LEU 93 3HD1 LEU 93 14.703 3.515 2.875
763 1HD2 LEU 93 1HD2 LEU 93 11.250 3.003 1.529
764 2HD2 LEU 93 2HD2 LEU 93 11.250 4.641 2.182
765 3HD2 LEU 93 3HD2 LEU 93 10.459 3.341 3.069
766 H LEU 94 H LEU 94 12.529 1.191 6.599
767 HA LEU 94 HA LEU 94 13.072 3.751 7.721
768 1HB LEU 94 2HB LEU 94 11.719 1.270 8.676
769 2HB LEU 94 1HB LEU 94 12.195 2.465 9.863
770 HG LEU 94 HG LEU 94 10.832 4.160 8.685
771 1HD1 LEU 94 1HD1 LEU 94 9.932 1.843 6.980
772 2HD1 LEU 94 2HD1 LEU 94 10.905 3.214 6.440
773 3HD1 LEU 94 3HD1 LEU 94 9.244 3.467 6.977
774 1HD2 LEU 94 1HD2 LEU 94 8.655 3.273 9.351
775 2HD2 LEU 94 2HD2 LEU 94 9.894 2.930 10.557
776 3HD2 LEU 94 3HD2 LEU 94 9.348 1.655 9.467
777 H GLU 95 H GLU 95 14.325 0.490 8.348
778 HA GLU 95 HA GLU 95 16.125 1.263 10.403
779 1HB GLU 95 2HB GLU 95 15.396 -1.088 9.966
780 2HB GLU 95 1HB GLU 95 16.348 -1.081 8.490
781 1HG GLU 95 2HG GLU 95 18.384 -0.774 9.785
782 2HG GLU 95 1HG GLU 95 17.441 -0.730 11.274
783 H HIS 96 H HIS 96 16.762 0.342 7.041
784 HA HIS 96 HA HIS 96 17.999 1.251 5.396
785 1HB HIS 96 2HB HIS 96 17.017 3.403 6.385
786 2HB HIS 96 1HB HIS 96 18.590 3.629 7.137
787 HD1 HIS 96 HD1 HIS 96 19.840 5.309 5.842
788 HD2 HIS 96 HD2 HIS 96 17.633 2.789 3.381
789 HE1 HIS 96 HE1 HIS 96 20.346 6.045 3.489
790 HE2 HIS 96 HE2 HIS 96 18.805 4.665 2.044
791 H HIS 97 H HIS 97 19.271 0.486 8.382
792 HA HIS 97 HA HIS 97 21.938 0.238 7.222
793 1HB HIS 97 2HB HIS 97 21.261 1.790 9.696
794 2HB HIS 97 1HB HIS 97 22.795 0.932 9.612
795 HD1 HIS 97 HD1 HIS 97 24.656 2.021 8.327
796 HD2 HIS 97 HD2 HIS 97 20.981 3.882 7.725
797 HE1 HIS 97 HE1 HIS 97 25.160 4.134 7.056
798 HE2 HIS 97 HE2 HIS 97 22.922 5.192 6.609
799 H HIS 98 H HIS 98 22.481 -1.822 7.379
800 HA HIS 98 HA HIS 98 21.453 -3.487 9.535
801 1HB HIS 98 2HB HIS 98 23.317 -4.093 7.230
802 2HB HIS 98 1HB HIS 98 22.836 -5.281 8.435
803 HD1 HIS 98 HD1 HIS 98 22.021 -4.287 5.151
804 HD2 HIS 98 HD2 HIS 98 19.790 -5.415 8.473
805 HE1 HIS 98 HE1 HIS 98 19.785 -5.008 4.254
806 HE2 HIS 98 HE2 HIS 98 18.561 -5.929 6.255
807 H HIS 99 H HIS 99 23.738 -1.251 9.291
808 HA HIS 99 HA HIS 99 25.189 -0.473 10.835
809 1HB HIS 99 2HB HIS 99 23.813 -1.998 12.427
810 2HB HIS 99 1HB HIS 99 25.213 -3.062 12.340
811 HD1 HIS 99 HD1 HIS 99 24.028 0.159 13.751
812 HD2 HIS 99 HD2 HIS 99 27.569 -2.023 13.559
813 HE1 HIS 99 HE1 HIS 99 25.569 1.208 15.440
814 HE2 HIS 99 HE2 HIS 99 27.652 -0.202 15.404
815 H HIS 100 H HIS 100 25.812 -3.905 10.082
816 HA HIS 100 HA HIS 100 28.279 -3.237 8.791
817 1HB HIS 100 2HB HIS 100 28.856 -3.157 11.271
818 2HB HIS 100 1HB HIS 100 28.537 -4.888 11.313
819 HD1 HIS 100 HD1 HIS 100 30.539 -6.286 11.010
820 HD2 HIS 100 HD2 HIS 100 30.960 -2.571 9.180
821 HE1 HIS 100 HE1 HIS 100 32.883 -6.238 10.095
822 HE2 HIS 100 HE2 HIS 100 33.045 -4.063 8.835
823 H HIS 101 H HIS 101 25.849 -4.613 8.148
824 HA HIS 101 HA HIS 101 26.978 -7.211 7.407
825 1HB HIS 101 2HB HIS 101 25.551 -7.565 9.406
826 2HB HIS 101 1HB HIS 101 24.193 -6.848 8.550
827 HD1 HIS 101 HD1 HIS 101 26.430 -9.903 8.456
828 HD2 HIS 101 HD2 HIS 101 22.772 -8.580 6.971
829 HE1 HIS 101 HE1 HIS 101 25.347 -11.921 7.414
830 HE2 HIS 101 HE2 HIS 101 23.073 -11.131 6.656
Start of MODEL 4
1 1H MET 1 1H MET 1 22.311 17.311 -19.196
2 2H MET 1 2H MET 1 22.173 18.488 -17.983
3 3H MET 1 3H MET 1 21.181 18.567 -19.357
4 HA MET 1 HA MET 1 20.047 17.737 -17.348
5 1HB MET 1 2HB MET 1 18.977 15.829 -18.485
6 2HB MET 1 1HB MET 1 19.175 17.210 -19.552
7 1HG MET 1 2HG MET 1 21.149 16.134 -20.544
8 2HG MET 1 1HG MET 1 20.893 14.739 -19.497
9 1HE MET 1 1HE MET 1 19.856 13.371 -23.019
10 2HE MET 1 2HE MET 1 20.926 13.175 -21.629
11 3HE MET 1 3HE MET 1 21.124 14.556 -22.707
12 H MET 2 H MET 2 20.038 16.381 -15.626
13 HA MET 2 HA MET 2 22.509 14.882 -15.226
14 1HB MET 2 2HB MET 2 21.370 16.579 -13.579
15 2HB MET 2 1HB MET 2 20.397 15.187 -13.127
16 1HG MET 2 2HG MET 2 23.399 15.372 -12.984
17 2HG MET 2 1HG MET 2 22.287 15.489 -11.625
18 1HE MET 2 1HE MET 2 23.548 13.633 -10.270
19 2HE MET 2 2HE MET 2 24.741 13.531 -11.563
20 3HE MET 2 3HE MET 2 23.995 12.061 -10.934
21 H PHE 3 H PHE 3 19.222 14.163 -14.052
22 HA PHE 3 HA PHE 3 19.825 11.332 -14.330
23 1HB PHE 3 2HB PHE 3 17.550 12.792 -12.987
24 2HB PHE 3 1HB PHE 3 17.661 11.040 -13.075
25 HD1 PHE 3 HD1 PHE 3 19.652 9.912 -12.002
26 HD2 PHE 3 HD2 PHE 3 18.642 13.984 -11.301
27 HE1 PHE 3 HE1 PHE 3 20.981 9.880 -9.930
28 HE2 PHE 3 HE2 PHE 3 19.972 13.962 -9.231
29 HZ PHE 3 HZ PHE 3 21.142 11.911 -8.544
30 H LEU 4 H LEU 4 18.271 13.677 -16.175
31 HA LEU 4 HA LEU 4 16.888 13.642 -17.975
32 1HB LEU 4 2HB LEU 4 17.522 10.705 -17.849
33 2HB LEU 4 1HB LEU 4 16.394 11.343 -19.024
34 HG LEU 4 HG LEU 4 18.246 12.833 -19.862
35 1HD1 LEU 4 1HD1 LEU 4 19.930 11.057 -18.108
36 2HD1 LEU 4 2HD1 LEU 4 19.700 12.797 -17.928
37 3HD1 LEU 4 3HD1 LEU 4 20.544 12.161 -19.340
38 1HD2 LEU 4 1HD2 LEU 4 19.345 11.035 -21.115
39 2HD2 LEU 4 2HD2 LEU 4 17.596 10.820 -21.039
40 3HD2 LEU 4 3HD2 LEU 4 18.647 9.852 -20.006
41 H ARG 5 H ARG 5 16.070 13.064 -15.116
42 HA ARG 5 HA ARG 5 13.259 13.063 -15.499
43 1HB ARG 5 2HB ARG 5 13.623 10.645 -15.774
44 2HB ARG 5 1HB ARG 5 14.504 10.593 -14.256
45 1HG ARG 5 2HG ARG 5 12.516 11.096 -13.016
46 2HG ARG 5 1HG ARG 5 11.604 11.358 -14.503
47 1HD ARG 5 2HD ARG 5 12.893 8.742 -13.723
48 2HD ARG 5 1HD ARG 5 11.195 9.138 -13.458
49 HE ARG 5 HE ARG 5 11.387 9.549 -16.073
50 1HH1 ARG 5 1HH1 ARG 5 12.639 6.889 -14.152
51 2HH1 ARG 5 2HH1 ARG 5 12.488 5.731 -15.439
52 1HH2 ARG 5 1HH2 ARG 5 11.188 8.041 -17.744
53 2HH2 ARG 5 2HH2 ARG 5 11.662 6.385 -17.489
54 H LYS 6 H LYS 6 12.518 14.347 -13.882
55 HA LYS 6 HA LYS 6 14.457 15.161 -11.913
56 1HB LYS 6 2HB LYS 6 11.730 16.157 -12.657
57 2HB LYS 6 1HB LYS 6 12.536 16.730 -11.203
58 1HG LYS 6 2HG LYS 6 14.491 17.328 -12.720
59 2HG LYS 6 1HG LYS 6 13.375 17.069 -14.065
60 1HD LYS 6 2HD LYS 6 11.883 18.767 -13.208
61 2HD LYS 6 1HD LYS 6 12.881 18.964 -11.766
62 1HE LYS 6 2HE LYS 6 14.757 19.662 -13.244
63 2HE LYS 6 1HE LYS 6 13.638 19.621 -14.607
64 1HZ LYS 6 1HZ LYS 6 12.257 21.254 -13.375
65 2HZ LYS 6 2HZ LYS 6 13.778 21.850 -13.826
66 3HZ LYS 6 3HZ LYS 6 13.496 21.381 -12.221
67 H VAL 7 H VAL 7 14.746 14.104 -10.122
68 HA VAL 7 HA VAL 7 12.469 12.846 -8.779
69 HB VAL 7 HB VAL 7 15.375 12.740 -7.951
70 1HG1 VAL 7 1HG1 VAL 7 13.039 10.966 -7.243
71 2HG1 VAL 7 2HG1 VAL 7 13.752 12.193 -6.199
72 3HG1 VAL 7 3HG1 VAL 7 14.700 10.782 -6.671
73 1HG2 VAL 7 1HG2 VAL 7 13.832 10.805 -9.677
74 2HG2 VAL 7 2HG2 VAL 7 15.449 10.525 -9.025
75 3HG2 VAL 7 3HG2 VAL 7 15.179 11.823 -10.188
76 H GLU 8 H GLU 8 11.742 15.150 -8.539
77 HA GLU 8 HA GLU 8 12.801 16.266 -6.027
78 1HB GLU 8 2HB GLU 8 11.255 17.757 -8.157
79 2HB GLU 8 1HB GLU 8 11.979 18.443 -6.710
80 1HG GLU 8 2HG GLU 8 14.208 17.746 -7.591
81 2HG GLU 8 1HG GLU 8 13.403 17.298 -9.094
82 H GLY 9 H GLY 9 9.814 16.562 -7.897
83 1HA GLY 9 2HA GLY 9 8.348 15.458 -5.585
84 2HA GLY 9 1HA GLY 9 7.747 16.837 -6.499
85 HA PRO 10 HA PRO 10 7.567 12.901 -9.425
86 1HB PRO 10 2HB PRO 10 7.403 10.795 -7.353
87 2HB PRO 10 1HB PRO 10 8.287 10.800 -8.883
88 1HG PRO 10 2HG PRO 10 9.563 11.034 -6.542
89 2HG PRO 10 1HG PRO 10 10.101 11.914 -7.987
90 1HD PRO 10 2HD PRO 10 8.561 12.908 -5.624
91 2HD PRO 10 1HD PRO 10 9.855 13.703 -6.541
92 H ARG 11 H ARG 11 5.550 13.044 -10.093
93 HA ARG 11 HA ARG 11 3.373 13.122 -8.166
94 1HB ARG 11 2HB ARG 11 3.692 14.699 -10.200
95 2HB ARG 11 1HB ARG 11 3.101 13.354 -11.161
96 1HG ARG 11 2HG ARG 11 1.473 14.226 -8.835
97 2HG ARG 11 1HG ARG 11 1.502 15.253 -10.266
98 1HD ARG 11 2HD ARG 11 0.712 13.430 -11.639
99 2HD ARG 11 1HD ARG 11 0.805 12.318 -10.272
100 HE ARG 11 HE ARG 11 -0.906 13.895 -9.221
101 1HH1 ARG 11 1HH1 ARG 11 -0.725 13.246 -12.676
102 2HH1 ARG 11 2HH1 ARG 11 -2.401 13.616 -12.947
103 1HH2 ARG 11 1HH2 ARG 11 -3.095 14.357 -9.590
104 2HH2 ARG 11 2HH2 ARG 11 -3.749 14.224 -11.192
105 H SER 12 H SER 12 4.861 10.985 -10.402
106 HA SER 12 HA SER 12 2.835 8.959 -9.790
107 1HB SER 12 2HB SER 12 2.442 9.900 -12.081
108 2HB SER 12 1HB SER 12 4.054 9.347 -12.532
109 HG SER 12 HG SER 12 2.229 7.524 -11.417
110 H VAL 13 H VAL 13 3.597 6.915 -9.548
111 HA VAL 13 HA VAL 13 6.507 6.528 -9.808
112 HB VAL 13 HB VAL 13 6.290 4.741 -8.079
113 1HG1 VAL 13 1HG1 VAL 13 7.093 6.950 -7.456
114 2HG1 VAL 13 2HG1 VAL 13 6.144 6.235 -6.154
115 3HG1 VAL 13 3HG1 VAL 13 5.435 7.485 -7.176
116 1HG2 VAL 13 1HG2 VAL 13 3.505 5.852 -7.729
117 2HG2 VAL 13 2HG2 VAL 13 4.292 4.719 -6.629
118 3HG2 VAL 13 3HG2 VAL 13 3.926 4.233 -8.286
119 H THR 14 H THR 14 7.205 4.758 -10.949
120 HA THR 14 HA THR 14 5.136 3.250 -12.348
121 HB THR 14 HB THR 14 8.125 3.147 -12.803
122 HG1 THR 14 HG1 THR 14 6.353 5.085 -13.377
123 1HG2 THR 14 1HG2 THR 14 7.493 2.189 -14.975
124 2HG2 THR 14 2HG2 THR 14 5.791 2.281 -14.523
125 3HG2 THR 14 3HG2 THR 14 6.875 1.201 -13.648
126 H LEU 15 H LEU 15 4.415 1.565 -11.236
127 HA LEU 15 HA LEU 15 5.982 0.163 -9.313
128 1HB LEU 15 2HB LEU 15 3.415 -0.669 -10.677
129 2HB LEU 15 1HB LEU 15 4.101 -1.421 -9.252
130 HG LEU 15 HG LEU 15 3.045 1.401 -9.418
131 1HD1 LEU 15 1HD1 LEU 15 1.947 -1.030 -8.015
132 2HD1 LEU 15 2HD1 LEU 15 1.292 -0.307 -9.484
133 3HD1 LEU 15 3HD1 LEU 15 1.266 0.597 -7.970
134 1HD2 LEU 15 1HD2 LEU 15 3.391 1.458 -7.005
135 2HD2 LEU 15 2HD2 LEU 15 4.913 1.218 -7.862
136 3HD2 LEU 15 3HD2 LEU 15 4.124 -0.145 -7.068
137 HA PRO 16 HA PRO 16 8.227 -2.615 -12.019
138 1HB PRO 16 2HB PRO 16 7.982 -4.514 -9.746
139 2HB PRO 16 1HB PRO 16 9.432 -3.938 -10.577
140 1HG PRO 16 2HG PRO 16 8.837 -3.059 -8.143
141 2HG PRO 16 1HG PRO 16 9.502 -1.963 -9.366
142 1HD PRO 16 2HD PRO 16 6.670 -2.253 -8.426
143 2HD PRO 16 1HD PRO 16 7.588 -0.779 -8.807
144 H ASP 17 H ASP 17 5.174 -3.027 -10.777
145 HA ASP 17 HA ASP 17 4.475 -5.592 -11.785
146 1HB ASP 17 2HB ASP 17 3.232 -4.441 -9.984
147 2HB ASP 17 1HB ASP 17 2.774 -3.176 -11.113
148 H GLY 18 H GLY 18 4.824 -2.423 -13.098
149 1HA GLY 18 2HA GLY 18 5.013 -2.010 -15.433
150 2HA GLY 18 1HA GLY 18 3.974 -3.394 -15.733
151 H SER 19 H SER 19 3.626 -0.555 -13.641
152 HA SER 19 HA SER 19 1.531 0.559 -15.263
153 1HB SER 19 2HB SER 19 0.383 -1.282 -13.982
154 2HB SER 19 1HB SER 19 0.817 -0.445 -12.496
155 HG SER 19 HG SER 19 -1.254 0.001 -14.142
156 H ILE 20 H ILE 20 1.435 2.721 -14.943
157 HA ILE 20 HA ILE 20 3.079 3.838 -12.817
158 HB ILE 20 HB ILE 20 2.650 6.033 -13.905
159 1HG1 ILE 20 2HG1 ILE 20 1.315 4.386 -16.065
160 2HG1 ILE 20 1HG1 ILE 20 0.459 5.420 -14.926
161 1HG2 ILE 20 1HG2 ILE 20 4.636 4.746 -14.441
162 2HG2 ILE 20 2HG2 ILE 20 4.051 5.606 -15.864
163 3HG2 ILE 20 3HG2 ILE 20 3.752 3.876 -15.697
164 1HD1 ILE 20 1HD1 ILE 20 2.476 6.328 -16.968
165 2HD1 ILE 20 2HD1 ILE 20 1.631 7.368 -15.820
166 3HD1 ILE 20 3HD1 ILE 20 0.727 6.516 -17.071
167 H MET 21 H MET 21 2.316 4.699 -11.019
168 HA MET 21 HA MET 21 -0.588 5.180 -10.837
169 1HB MET 21 2HB MET 21 1.266 3.896 -8.833
170 2HB MET 21 1HB MET 21 -0.313 4.531 -8.391
171 1HG MET 21 2HG MET 21 0.131 2.421 -10.485
172 2HG MET 21 1HG MET 21 -0.257 2.092 -8.799
173 1HE MET 21 1HE MET 21 -3.834 3.540 -8.415
174 2HE MET 21 2HE MET 21 -2.322 4.379 -8.067
175 3HE MET 21 3HE MET 21 -2.504 2.677 -7.645
176 H THR 22 H THR 22 -1.240 6.997 -9.810
177 HA THR 22 HA THR 22 0.863 8.735 -8.689
178 HB THR 22 HB THR 22 -0.546 10.657 -9.180
179 HG1 THR 22 HG1 THR 22 -2.359 8.945 -10.552
180 1HG2 THR 22 1HG2 THR 22 0.955 9.935 -10.956
181 2HG2 THR 22 2HG2 THR 22 -0.528 10.607 -11.631
182 3HG2 THR 22 3HG2 THR 22 -0.291 8.860 -11.590
183 H ARG 23 H ARG 23 -0.090 10.257 -6.947
184 HA ARG 23 HA ARG 23 -1.346 8.685 -4.935
185 1HB ARG 23 2HB ARG 23 0.196 10.820 -4.773
186 2HB ARG 23 1HB ARG 23 -1.331 11.682 -4.847
187 1HG ARG 23 2HG ARG 23 -1.295 9.503 -2.892
188 2HG ARG 23 1HG ARG 23 -0.121 10.775 -2.571
189 1HD ARG 23 2HD ARG 23 -2.104 11.355 -1.407
190 2HD ARG 23 1HD ARG 23 -1.999 12.430 -2.798
191 HE ARG 23 HE ARG 23 -3.541 10.137 -3.422
192 1HH1 ARG 23 1HH1 ARG 23 -3.694 13.129 -1.615
193 2HH1 ARG 23 2HH1 ARG 23 -5.421 13.288 -1.780
194 1HH2 ARG 23 1HH2 ARG 23 -5.786 10.312 -3.644
195 2HH2 ARG 23 2HH2 ARG 23 -6.622 11.679 -2.973
196 H ALA 24 H ALA 24 -2.448 10.891 -7.389
197 HA ALA 24 HA ALA 24 -5.090 11.261 -6.388
198 1HB ALA 24 1HB ALA 24 -5.567 12.192 -8.603
199 2HB ALA 24 2HB ALA 24 -4.002 11.616 -9.179
200 3HB ALA 24 3HB ALA 24 -4.078 12.855 -7.925
201 H ASP 25 H ASP 25 -3.516 8.820 -8.312
202 HA ASP 25 HA ASP 25 -5.944 7.598 -9.236
203 1HB ASP 25 2HB ASP 25 -3.102 6.584 -9.110
204 2HB ASP 25 1HB ASP 25 -4.437 5.630 -9.749
205 H LEU 26 H LEU 26 -4.068 7.513 -6.373
206 HA LEU 26 HA LEU 26 -4.950 4.998 -5.393
207 1HB LEU 26 2HB LEU 26 -3.845 7.412 -3.955
208 2HB LEU 26 1HB LEU 26 -4.163 5.870 -3.186
209 HG LEU 26 HG LEU 26 -2.170 6.342 -5.406
210 1HD1 LEU 26 1HD1 LEU 26 -1.484 7.329 -3.281
211 2HD1 LEU 26 2HD1 LEU 26 -0.497 5.922 -3.675
212 3HD1 LEU 26 3HD1 LEU 26 -1.774 5.793 -2.465
213 1HD2 LEU 26 1HD2 LEU 26 -1.477 4.044 -4.999
214 2HD2 LEU 26 2HD2 LEU 26 -3.175 4.101 -5.475
215 3HD2 LEU 26 3HD2 LEU 26 -2.740 3.860 -3.783
216 HA PRO 27 HA PRO 27 -9.224 5.601 -4.314
217 1HB PRO 27 2HB PRO 27 -8.059 4.159 -1.944
218 2HB PRO 27 1HB PRO 27 -9.612 3.902 -2.753
219 1HG PRO 27 2HG PRO 27 -7.583 2.316 -3.314
220 2HG PRO 27 1HG PRO 27 -8.622 2.918 -4.616
221 1HD PRO 27 2HD PRO 27 -5.847 3.688 -3.914
222 2HD PRO 27 1HD PRO 27 -6.668 3.716 -5.486
223 HA PRO 28 HA PRO 28 -8.566 9.242 -1.752
224 1HB PRO 28 2HB PRO 28 -10.948 10.374 -2.234
225 2HB PRO 28 1HB PRO 28 -9.681 10.323 -3.466
226 1HG PRO 28 2HG PRO 28 -12.063 8.531 -3.131
227 2HG PRO 28 1HG PRO 28 -11.451 9.302 -4.605
228 1HD PRO 28 2HD PRO 28 -10.927 6.718 -3.968
229 2HD PRO 28 1HD PRO 28 -9.796 7.730 -4.889
230 H ALA 29 H ALA 29 -9.111 6.916 -0.349
231 HA ALA 29 HA ALA 29 -9.835 6.213 1.673
232 1HB ALA 29 1HB ALA 29 -11.127 8.919 1.964
233 2HB ALA 29 2HB ALA 29 -9.479 8.510 2.443
234 3HB ALA 29 3HB ALA 29 -10.847 7.747 3.252
235 H ASN 30 H ASN 30 -12.414 8.064 0.082
236 HA ASN 30 HA ASN 30 -14.541 6.433 0.990
237 1HB ASN 30 2HB ASN 30 -14.340 8.181 -1.474
238 2HB ASN 30 1HB ASN 30 -15.830 7.455 -0.884
239 1HD2 ASN 30 1HD2 ASN 30 -15.250 7.860 1.909
240 2HD2 ASN 30 2HD2 ASN 30 -15.429 9.556 2.203
241 H THR 31 H THR 31 -13.610 6.723 -2.396
242 HA THR 31 HA THR 31 -13.302 5.245 -4.085
243 HB THR 31 HB THR 31 -12.900 3.087 -2.030
244 HG1 THR 31 HG1 THR 31 -11.502 4.584 -1.336
245 1HG2 THR 31 1HG2 THR 31 -12.950 2.356 -4.362
246 2HG2 THR 31 2HG2 THR 31 -11.316 2.229 -3.710
247 3HG2 THR 31 3HG2 THR 31 -11.737 3.568 -4.780
248 H ARG 32 H ARG 32 -14.694 4.158 -5.390
249 HA ARG 32 HA ARG 32 -17.259 3.490 -4.212
250 1HB ARG 32 2HB ARG 32 -16.309 3.880 -7.033
251 2HB ARG 32 1HB ARG 32 -17.885 3.173 -6.690
252 1HG ARG 32 2HG ARG 32 -18.588 5.145 -5.525
253 2HG ARG 32 1HG ARG 32 -16.973 5.843 -5.647
254 1HD ARG 32 2HD ARG 32 -17.172 6.125 -7.990
255 2HD ARG 32 1HD ARG 32 -18.618 5.118 -8.059
256 HE ARG 32 HE ARG 32 -19.847 6.888 -7.003
257 1HH1 ARG 32 1HH1 ARG 32 -16.587 7.770 -7.964
258 2HH1 ARG 32 2HH1 ARG 32 -16.950 9.470 -8.086
259 1HH2 ARG 32 1HH2 ARG 32 -20.304 9.131 -7.120
260 2HH2 ARG 32 2HH2 ARG 32 -19.044 10.238 -7.584
261 H ARG 33 H ARG 33 -17.410 1.594 -3.337
262 HA ARG 33 HA ARG 33 -17.929 -0.604 -3.268
263 1HB ARG 33 2HB ARG 33 -18.427 -0.250 -5.777
264 2HB ARG 33 1HB ARG 33 -16.887 -1.056 -6.043
265 1HG ARG 33 2HG ARG 33 -17.702 -2.996 -4.767
266 2HG ARG 33 1HG ARG 33 -19.261 -2.194 -4.583
267 1HD ARG 33 2HD ARG 33 -19.602 -3.595 -6.398
268 2HD ARG 33 1HD ARG 33 -19.236 -2.043 -7.151
269 HE ARG 33 HE ARG 33 -17.041 -3.926 -6.753
270 1HH1 ARG 33 1HH1 ARG 33 -19.254 -2.323 -8.952
271 2HH1 ARG 33 2HH1 ARG 33 -18.422 -2.879 -10.382
272 1HH2 ARG 33 1HH2 ARG 33 -15.961 -4.644 -8.596
273 2HH2 ARG 33 2HH2 ARG 33 -16.517 -4.181 -10.178
274 H TRP 34 H TRP 34 -14.800 0.239 -4.624
275 HA TRP 34 HA TRP 34 -12.691 -0.484 -4.154
276 1HB TRP 34 2HB TRP 34 -14.114 -1.854 -1.884
277 2HB TRP 34 1HB TRP 34 -12.396 -2.084 -2.168
278 HD1 TRP 34 HD1 TRP 34 -14.907 0.527 -0.954
279 HE1 TRP 34 HE1 TRP 34 -13.611 2.424 0.211
280 HE3 TRP 34 HE3 TRP 34 -10.149 -0.882 -2.168
281 HZ2 TRP 34 HZ2 TRP 34 -10.924 3.216 0.562
282 HZ3 TRP 34 HZ3 TRP 34 -8.271 0.496 -1.384
283 HH2 TRP 34 HH2 TRP 34 -8.650 2.506 -0.046
284 H VAL 35 H VAL 35 -12.235 -1.602 -5.997
285 HA VAL 35 HA VAL 35 -12.965 -4.427 -6.125
286 HB VAL 35 HB VAL 35 -11.839 -4.444 -8.323
287 1HG1 VAL 35 1HG1 VAL 35 -13.432 -2.994 -9.494
288 2HG1 VAL 35 2HG1 VAL 35 -13.830 -2.209 -7.967
289 3HG1 VAL 35 3HG1 VAL 35 -14.208 -3.914 -8.206
290 1HG2 VAL 35 1HG2 VAL 35 -11.365 -1.514 -7.801
291 2HG2 VAL 35 2HG2 VAL 35 -11.094 -2.340 -9.334
292 3HG2 VAL 35 3HG2 VAL 35 -10.128 -2.765 -7.921
293 H ALA 36 H ALA 36 -11.290 -6.075 -6.443
294 HA ALA 36 HA ALA 36 -9.450 -5.973 -4.318
295 1HB ALA 36 1HB ALA 36 -9.536 -7.898 -6.637
296 2HB ALA 36 2HB ALA 36 -10.431 -8.058 -5.125
297 3HB ALA 36 3HB ALA 36 -8.670 -8.139 -5.120
298 H SER 37 H SER 37 -9.045 -5.606 -7.795
299 HA SER 37 HA SER 37 -6.263 -5.481 -7.926
300 1HB SER 37 2HB SER 37 -7.740 -5.633 -9.902
301 2HB SER 37 1HB SER 37 -8.284 -3.981 -9.616
302 HG SER 37 HG SER 37 -5.823 -4.928 -10.565
303 H ARG 38 H ARG 38 -8.618 -3.081 -6.984
304 HA ARG 38 HA ARG 38 -6.763 -0.882 -7.110
305 1HB ARG 38 2HB ARG 38 -9.180 -0.625 -7.598
306 2HB ARG 38 1HB ARG 38 -9.539 -1.013 -5.923
307 1HG ARG 38 2HG ARG 38 -8.764 1.002 -5.144
308 2HG ARG 38 1HG ARG 38 -7.709 1.254 -6.538
309 1HD ARG 38 2HD ARG 38 -10.723 1.330 -6.616
310 2HD ARG 38 1HD ARG 38 -9.682 2.748 -6.540
311 HE ARG 38 HE ARG 38 -9.785 0.842 -8.796
312 1HH1 ARG 38 1HH1 ARG 38 -9.149 4.060 -7.551
313 2HH1 ARG 38 2HH1 ARG 38 -8.781 4.723 -9.113
314 1HH2 ARG 38 1HH2 ARG 38 -9.315 1.711 -10.825
315 2HH2 ARG 38 2HH2 ARG 38 -8.883 3.388 -10.982
316 H LYS 39 H LYS 39 -8.006 -3.076 -4.684
317 HA LYS 39 HA LYS 39 -7.080 -1.717 -2.383
318 1HB LYS 39 2HB LYS 39 -7.374 -4.706 -2.804
319 2HB LYS 39 1HB LYS 39 -7.317 -3.877 -1.254
320 1HG LYS 39 2HG LYS 39 -9.430 -2.904 -1.575
321 2HG LYS 39 1HG LYS 39 -9.439 -3.292 -3.293
322 1HD LYS 39 2HD LYS 39 -10.897 -4.849 -2.332
323 2HD LYS 39 1HD LYS 39 -9.392 -5.738 -2.560
324 1HE LYS 39 2HE LYS 39 -10.279 -6.262 -0.392
325 2HE LYS 39 1HE LYS 39 -8.825 -5.285 -0.194
326 1HZ LYS 39 1HZ LYS 39 -10.241 -3.340 0.136
327 2HZ LYS 39 2HZ LYS 39 -10.553 -4.535 1.293
328 3HZ LYS 39 3HZ LYS 39 -11.623 -4.304 0.002
329 H ILE 40 H ILE 40 -5.640 -4.248 -4.393
330 HA ILE 40 HA ILE 40 -3.139 -4.398 -3.124
331 HB ILE 40 HB ILE 40 -3.845 -4.914 -6.021
332 1HG1 ILE 40 2HG1 ILE 40 -3.648 -6.827 -3.683
333 2HG1 ILE 40 1HG1 ILE 40 -5.151 -6.249 -4.390
334 1HG2 ILE 40 1HG2 ILE 40 -1.452 -5.800 -4.420
335 2HG2 ILE 40 2HG2 ILE 40 -1.450 -4.651 -5.759
336 3HG2 ILE 40 3HG2 ILE 40 -1.850 -6.345 -6.050
337 1HD1 ILE 40 1HD1 ILE 40 -3.070 -7.916 -5.786
338 2HD1 ILE 40 2HD1 ILE 40 -4.574 -7.333 -6.502
339 3HD1 ILE 40 3HD1 ILE 40 -4.620 -8.482 -5.163
340 H ALA 41 H ALA 41 -4.436 -2.223 -5.539
341 HA ALA 41 HA ALA 41 -1.997 -1.007 -6.295
342 1HB ALA 41 1HB ALA 41 -4.074 -0.848 -7.617
343 2HB ALA 41 2HB ALA 41 -3.349 0.726 -7.285
344 3HB ALA 41 3HB ALA 41 -4.759 0.193 -6.369
345 H VAL 42 H VAL 42 -4.222 -0.467 -3.629
346 HA VAL 42 HA VAL 42 -3.235 2.084 -2.883
347 HB VAL 42 HB VAL 42 -4.478 0.071 -1.001
348 1HG1 VAL 42 1HG1 VAL 42 -4.382 3.086 -0.925
349 2HG1 VAL 42 2HG1 VAL 42 -3.399 2.003 0.059
350 3HG1 VAL 42 3HG1 VAL 42 -5.149 2.036 0.267
351 1HG2 VAL 42 1HG2 VAL 42 -6.615 1.191 -1.495
352 2HG2 VAL 42 2HG2 VAL 42 -5.954 0.341 -2.892
353 3HG2 VAL 42 3HG2 VAL 42 -5.819 2.097 -2.782
354 H VAL 43 H VAL 43 -2.617 -1.157 -1.496
355 HA VAL 43 HA VAL 43 -0.730 -0.279 0.378
356 HB VAL 43 HB VAL 43 0.187 -2.746 0.076
357 1HG1 VAL 43 1HG1 VAL 43 -1.646 -3.493 1.590
358 2HG1 VAL 43 2HG1 VAL 43 -2.465 -1.965 1.268
359 3HG1 VAL 43 3HG1 VAL 43 -0.893 -1.970 2.061
360 1HG2 VAL 43 1HG2 VAL 43 -1.007 -3.233 -1.984
361 2HG2 VAL 43 2HG2 VAL 43 -2.545 -2.855 -1.205
362 3HG2 VAL 43 3HG2 VAL 43 -1.610 -4.256 -0.676
363 H ARG 44 H ARG 44 -0.223 -1.369 -2.961
364 HA ARG 44 HA ARG 44 2.623 -1.131 -2.812
365 1HB ARG 44 2HB ARG 44 0.752 -1.229 -5.187
366 2HB ARG 44 1HB ARG 44 2.507 -1.226 -5.316
367 1HG ARG 44 2HG ARG 44 2.516 -3.290 -3.886
368 2HG ARG 44 1HG ARG 44 0.761 -3.328 -4.056
369 1HD ARG 44 2HD ARG 44 2.682 -3.340 -6.379
370 2HD ARG 44 1HD ARG 44 2.017 -4.798 -5.649
371 HE ARG 44 HE ARG 44 -0.054 -3.011 -6.416
372 1HH1 ARG 44 1HH1 ARG 44 2.237 -5.325 -7.682
373 2HH1 ARG 44 2HH1 ARG 44 1.294 -5.708 -9.092
374 1HH2 ARG 44 1HH2 ARG 44 -1.336 -3.542 -8.270
375 2HH2 ARG 44 2HH2 ARG 44 -0.751 -4.723 -9.402
376 H GLY 45 H GLY 45 0.008 1.057 -3.636
377 1HA GLY 45 2HA GLY 45 1.651 3.095 -4.754
378 2HA GLY 45 1HA GLY 45 -0.001 3.286 -4.187
379 H VAL 46 H VAL 46 0.226 2.675 -1.512
380 HA VAL 46 HA VAL 46 1.317 5.142 -0.580
381 HB VAL 46 HB VAL 46 0.604 4.433 1.680
382 1HG1 VAL 46 1HG1 VAL 46 -0.959 5.607 0.267
383 2HG1 VAL 46 2HG1 VAL 46 -1.809 4.388 1.216
384 3HG1 VAL 46 3HG1 VAL 46 -1.459 4.095 -0.489
385 1HG2 VAL 46 1HG2 VAL 46 0.969 2.027 1.496
386 2HG2 VAL 46 2HG2 VAL 46 -0.332 1.909 0.311
387 3HG2 VAL 46 3HG2 VAL 46 -0.693 2.376 1.973
388 H ILE 47 H ILE 47 2.225 1.740 -0.034
389 HA ILE 47 HA ILE 47 4.265 2.396 1.848
390 HB ILE 47 HB ILE 47 3.704 -0.175 0.367
391 1HG1 ILE 47 2HG1 ILE 47 3.064 0.651 3.208
392 2HG1 ILE 47 1HG1 ILE 47 1.903 0.615 1.883
393 1HG2 ILE 47 1HG2 ILE 47 6.029 -0.111 1.107
394 2HG2 ILE 47 2HG2 ILE 47 5.093 -1.277 2.042
395 3HG2 ILE 47 3HG2 ILE 47 5.501 0.287 2.744
396 1HD1 ILE 47 1HD1 ILE 47 2.233 -1.804 1.684
397 2HD1 ILE 47 2HD1 ILE 47 1.678 -1.340 3.291
398 3HD1 ILE 47 3HD1 ILE 47 3.372 -1.751 3.030
399 H TYR 48 H TYR 48 4.267 1.597 -1.603
400 HA TYR 48 HA TYR 48 7.174 1.607 -1.661
401 1HB TYR 48 2HB TYR 48 5.951 -0.086 -2.947
402 2HB TYR 48 1HB TYR 48 5.141 1.182 -3.860
403 HD1 TYR 48 HD1 TYR 48 6.121 2.094 -5.783
404 HD2 TYR 48 HD2 TYR 48 8.452 -0.340 -3.192
405 HE1 TYR 48 HE1 TYR 48 7.930 2.057 -7.456
406 HE2 TYR 48 HE2 TYR 48 10.266 -0.390 -4.853
407 HH TYR 48 HH TYR 48 10.482 1.714 -7.396
408 H GLY 49 H GLY 49 4.537 3.740 -2.342
409 1HA GLY 49 2HA GLY 49 6.236 5.400 -4.063
410 2HA GLY 49 1HA GLY 49 4.489 5.483 -3.973
411 H LEU 50 H LEU 50 3.988 5.876 -1.291
412 HA LEU 50 HA LEU 50 4.954 8.650 -1.269
413 1HB LEU 50 2HB LEU 50 2.309 7.465 -0.497
414 2HB LEU 50 1HB LEU 50 2.777 9.076 -0.001
415 HG LEU 50 HG LEU 50 1.393 9.320 -1.901
416 1HD1 LEU 50 1HD1 LEU 50 4.245 9.598 -2.820
417 2HD1 LEU 50 2HD1 LEU 50 3.350 10.773 -1.859
418 3HD1 LEU 50 3HD1 LEU 50 2.840 10.411 -3.509
419 1HD2 LEU 50 1HD2 LEU 50 1.875 8.237 -4.062
420 2HD2 LEU 50 2HD2 LEU 50 1.459 7.088 -2.790
421 3HD2 LEU 50 3HD2 LEU 50 3.141 7.292 -3.276
422 H ILE 51 H ILE 51 3.451 6.538 1.241
423 HA ILE 51 HA ILE 51 5.289 7.790 3.156
424 HB ILE 51 HB ILE 51 3.545 8.432 4.665
425 1HG1 ILE 51 2HG1 ILE 51 1.926 6.625 4.142
426 2HG1 ILE 51 1HG1 ILE 51 1.178 8.210 4.216
427 1HG2 ILE 51 1HG2 ILE 51 2.938 9.441 1.896
428 2HG2 ILE 51 2HG2 ILE 51 4.155 10.073 3.006
429 3HG2 ILE 51 3HG2 ILE 51 2.443 10.211 3.404
430 1HD1 ILE 51 1HD1 ILE 51 1.070 8.300 1.800
431 2HD1 ILE 51 2HD1 ILE 51 0.285 6.840 2.409
432 3HD1 ILE 51 3HD1 ILE 51 1.895 6.745 1.691
433 H THR 52 H THR 52 4.408 6.929 5.504
434 HA THR 52 HA THR 52 4.741 4.040 5.327
435 HB THR 52 HB THR 52 5.129 4.081 7.716
436 HG1 THR 52 HG1 THR 52 4.456 6.864 7.581
437 1HG2 THR 52 1HG2 THR 52 7.095 5.515 7.835
438 2HG2 THR 52 2HG2 THR 52 6.563 6.388 6.398
439 3HG2 THR 52 3HG2 THR 52 7.019 4.688 6.280
440 H LEU 53 H LEU 53 3.443 2.872 7.244
441 HA LEU 53 HA LEU 53 0.710 3.023 6.442
442 1HB LEU 53 2HB LEU 53 1.679 0.892 7.043
443 2HB LEU 53 1HB LEU 53 2.060 1.471 8.652
444 HG LEU 53 HG LEU 53 -0.310 1.600 9.203
445 1HD1 LEU 53 1HD1 LEU 53 -0.786 0.538 6.419
446 2HD1 LEU 53 2HD1 LEU 53 -1.195 2.152 7.000
447 3HD1 LEU 53 3HD1 LEU 53 -2.012 0.742 7.673
448 1HD2 LEU 53 1HD2 LEU 53 -0.813 -0.796 9.182
449 2HD2 LEU 53 2HD2 LEU 53 0.865 -0.488 9.624
450 3HD2 LEU 53 3HD2 LEU 53 0.472 -1.052 8.001
451 H ALA 54 H ALA 54 2.549 4.581 8.892
452 HA ALA 54 HA ALA 54 0.490 5.039 10.770
453 1HB ALA 54 1HB ALA 54 2.861 5.394 11.286
454 2HB ALA 54 2HB ALA 54 1.904 6.839 11.619
455 3HB ALA 54 3HB ALA 54 2.904 6.756 10.167
456 H GLU 55 H GLU 55 1.721 7.042 8.091
457 HA GLU 55 HA GLU 55 -0.326 9.014 8.309
458 1HB GLU 55 2HB GLU 55 1.521 8.313 6.023
459 2HB GLU 55 1HB GLU 55 0.433 9.692 6.012
460 1HG GLU 55 2HG GLU 55 2.559 10.522 6.568
461 2HG GLU 55 1HG GLU 55 1.634 10.505 8.069
462 H ALA 56 H ALA 56 0.127 6.101 6.400
463 HA ALA 56 HA ALA 56 -2.205 6.438 4.777
464 1HB ALA 56 1HB ALA 56 -0.606 3.943 5.357
465 2HB ALA 56 2HB ALA 56 -0.314 5.078 4.039
466 3HB ALA 56 3HB ALA 56 -1.803 4.135 4.078
467 H LYS 57 H LYS 57 -1.856 5.631 8.023
468 HA LYS 57 HA LYS 57 -4.345 4.118 8.085
469 1HB LYS 57 2HB LYS 57 -2.375 3.594 9.600
470 2HB LYS 57 1HB LYS 57 -2.737 5.096 10.443
471 1HG LYS 57 2HG LYS 57 -4.908 4.270 11.075
472 2HG LYS 57 1HG LYS 57 -4.665 2.802 10.128
473 1HD LYS 57 2HD LYS 57 -3.066 3.661 12.541
474 2HD LYS 57 1HD LYS 57 -4.273 2.372 12.493
475 1HE LYS 57 2HE LYS 57 -2.852 1.241 10.763
476 2HE LYS 57 1HE LYS 57 -1.623 2.464 11.059
477 1HZ LYS 57 1HZ LYS 57 -1.397 1.734 13.301
478 2HZ LYS 57 2HZ LYS 57 -1.294 0.365 12.308
479 3HZ LYS 57 3HZ LYS 57 -2.717 0.678 13.163
480 H GLN 58 H GLN 58 -3.015 7.220 9.081
481 HA GLN 58 HA GLN 58 -5.287 8.361 10.229
482 1HB GLN 58 2HB GLN 58 -3.118 9.690 8.592
483 2HB GLN 58 1HB GLN 58 -4.241 10.528 9.651
484 1HG GLN 58 2HG GLN 58 -3.265 9.597 11.585
485 2HG GLN 58 1HG GLN 58 -2.356 8.413 10.644
486 1HE2 GLN 58 1HE2 GLN 58 -0.399 9.062 11.507
487 2HE2 GLN 58 2HE2 GLN 58 0.362 10.547 11.049
488 H THR 59 H THR 59 -4.193 8.235 6.880
489 HA THR 59 HA THR 59 -6.590 9.647 6.005
490 HB THR 59 HB THR 59 -4.261 8.758 4.303
491 HG1 THR 59 HG1 THR 59 -3.366 10.127 5.802
492 1HG2 THR 59 1HG2 THR 59 -6.291 9.380 3.085
493 2HG2 THR 59 2HG2 THR 59 -5.016 10.572 2.833
494 3HG2 THR 59 3HG2 THR 59 -6.342 10.921 3.942
495 H TYR 60 H TYR 60 -4.859 6.599 5.265
496 HA TYR 60 HA TYR 60 -7.208 5.746 3.738
497 1HB TYR 60 2HB TYR 60 -4.423 4.615 3.549
498 2HB TYR 60 1HB TYR 60 -5.771 4.301 2.468
499 HD1 TYR 60 HD1 TYR 60 -6.661 6.264 1.076
500 HD2 TYR 60 HD2 TYR 60 -2.924 6.360 3.110
501 HE1 TYR 60 HE1 TYR 60 -5.924 8.103 -0.379
502 HE2 TYR 60 HE2 TYR 60 -2.178 8.201 1.660
503 HH TYR 60 HH TYR 60 -4.285 9.954 -0.314
504 H GLY 61 H GLY 61 -6.585 5.476 6.725
505 1HA GLY 61 2HA GLY 61 -5.680 2.940 7.381
506 2HA GLY 61 1HA GLY 61 -6.708 3.927 8.398
507 H LEU 62 H LEU 62 -8.958 3.927 6.585
508 HA LEU 62 HA LEU 62 -10.966 2.839 6.551
509 1HB LEU 62 2HB LEU 62 -9.858 0.195 5.926
510 2HB LEU 62 1HB LEU 62 -11.046 1.145 5.060
511 HG LEU 62 HG LEU 62 -8.557 2.416 4.657
512 1HD1 LEU 62 1HD1 LEU 62 -7.430 0.395 5.360
513 2HD1 LEU 62 2HD1 LEU 62 -7.275 0.581 3.611
514 3HD1 LEU 62 3HD1 LEU 62 -8.432 -0.572 4.276
515 1HD2 LEU 62 1HD2 LEU 62 -10.474 2.324 3.117
516 2HD2 LEU 62 2HD2 LEU 62 -10.127 0.617 2.826
517 3HD2 LEU 62 3HD2 LEU 62 -8.958 1.849 2.351
518 H SER 63 H SER 63 -9.416 -0.165 7.201
519 HA SER 63 HA SER 63 -10.030 -0.108 10.040
520 1HB SER 63 2HB SER 63 -10.982 -2.332 8.208
521 2HB SER 63 1HB SER 63 -11.199 -2.251 9.956
522 HG SER 63 HG SER 63 -13.050 -1.576 8.655
523 H ASP 64 H ASP 64 -8.710 -1.607 11.221
524 HA ASP 64 HA ASP 64 -6.125 -1.815 10.123
525 1HB ASP 64 2HB ASP 64 -6.684 -1.700 12.577
526 2HB ASP 64 1HB ASP 64 -7.148 -3.399 12.484
527 H GLU 65 H GLU 65 -8.558 -4.313 10.755
528 HA GLU 65 HA GLU 65 -7.144 -6.508 9.769
529 1HB GLU 65 2HB GLU 65 -9.225 -6.667 11.074
530 2HB GLU 65 1HB GLU 65 -10.128 -6.001 9.724
531 1HG GLU 65 2HG GLU 65 -9.485 -7.967 8.373
532 2HG GLU 65 1HG GLU 65 -8.682 -8.640 9.793
533 H GLU 66 H GLU 66 -9.123 -4.111 8.134
534 HA GLU 66 HA GLU 66 -9.339 -5.296 5.611
535 1HB GLU 66 2HB GLU 66 -10.651 -3.342 6.288
536 2HB GLU 66 1HB GLU 66 -9.192 -2.370 6.364
537 1HG GLU 66 2HG GLU 66 -10.312 -1.821 4.364
538 2HG GLU 66 1HG GLU 66 -8.888 -2.758 3.926
539 H PHE 67 H PHE 67 -7.035 -2.771 6.632
540 HA PHE 67 HA PHE 67 -5.635 -2.694 4.213
541 1HB PHE 67 2HB PHE 67 -5.625 -0.956 6.065
542 2HB PHE 67 1HB PHE 67 -4.477 -1.987 6.911
543 HD1 PHE 67 HD1 PHE 67 -2.231 -2.405 5.914
544 HD2 PHE 67 HD2 PHE 67 -4.957 0.423 4.270
545 HE1 PHE 67 HE1 PHE 67 -0.391 -1.365 4.665
546 HE2 PHE 67 HE2 PHE 67 -3.114 1.470 3.013
547 HZ PHE 67 HZ PHE 67 -0.827 0.575 3.210
548 H ASN 68 H ASN 68 -5.019 -4.495 7.209
549 HA ASN 68 HA ASN 68 -2.517 -5.552 6.419
550 1HB ASN 68 2HB ASN 68 -4.524 -6.379 8.500
551 2HB ASN 68 1HB ASN 68 -3.098 -7.362 8.181
552 1HD2 ASN 68 1HD2 ASN 68 -4.317 -4.445 9.549
553 2HD2 ASN 68 2HD2 ASN 68 -2.843 -3.928 10.288
554 H SER 69 H SER 69 -5.806 -6.540 5.817
555 HA SER 69 HA SER 69 -5.312 -9.185 5.007
556 1HB SER 69 2HB SER 69 -7.570 -8.323 5.501
557 2HB SER 69 1HB SER 69 -7.491 -7.300 4.069
558 HG SER 69 HG SER 69 -6.930 -9.734 3.255
559 H TRP 70 H TRP 70 -4.983 -6.112 3.332
560 HA TRP 70 HA TRP 70 -4.846 -7.197 0.704
561 1HB TRP 70 2HB TRP 70 -3.577 -4.625 1.660
562 2HB TRP 70 1HB TRP 70 -4.040 -5.031 0.013
563 HD1 TRP 70 HD1 TRP 70 -6.920 -6.200 1.699
564 HE1 TRP 70 HE1 TRP 70 -8.744 -4.413 1.972
565 HE3 TRP 70 HE3 TRP 70 -4.128 -2.036 0.707
566 HZ2 TRP 70 HZ2 TRP 70 -8.978 -1.619 1.749
567 HZ3 TRP 70 HZ3 TRP 70 -5.234 0.157 0.755
568 HH2 TRP 70 HH2 TRP 70 -7.612 0.361 1.263
569 H VAL 71 H VAL 71 -2.369 -6.155 3.011
570 HA VAL 71 HA VAL 71 -0.146 -6.868 1.435
571 HB VAL 71 HB VAL 71 -0.256 -6.808 4.451
572 1HG1 VAL 71 1HG1 VAL 71 2.041 -6.375 2.548
573 2HG1 VAL 71 2HG1 VAL 71 1.769 -7.819 3.524
574 3HG1 VAL 71 3HG1 VAL 71 2.117 -6.278 4.309
575 1HG2 VAL 71 1HG2 VAL 71 0.278 -4.543 2.537
576 2HG2 VAL 71 2HG2 VAL 71 0.433 -4.465 4.292
577 3HG2 VAL 71 3HG2 VAL 71 -1.149 -4.726 3.556
578 H SER 72 H SER 72 -2.065 -8.641 3.798
579 HA SER 72 HA SER 72 -0.416 -10.894 4.041
580 1HB SER 72 2HB SER 72 -2.279 -10.369 5.580
581 2HB SER 72 1HB SER 72 -3.429 -10.744 4.298
582 HG SER 72 HG SER 72 -2.010 -12.845 4.353
583 H ALA 73 H ALA 73 -2.862 -10.030 1.662
584 HA ALA 73 HA ALA 73 -2.953 -12.609 0.429
585 1HB ALA 73 1HB ALA 73 -4.805 -11.022 0.231
586 2HB ALA 73 2HB ALA 73 -4.186 -11.492 -1.353
587 3HB ALA 73 3HB ALA 73 -3.764 -9.920 -0.673
588 H LEU 74 H LEU 74 -1.069 -9.707 0.041
589 HA LEU 74 HA LEU 74 0.191 -10.526 -2.411
590 1HB LEU 74 2HB LEU 74 0.780 -8.303 -0.456
591 2HB LEU 74 1HB LEU 74 1.641 -8.534 -1.973
592 HG LEU 74 HG LEU 74 -1.328 -8.024 -1.742
593 1HD1 LEU 74 1HD1 LEU 74 0.912 -6.157 -2.498
594 2HD1 LEU 74 2HD1 LEU 74 -0.068 -6.081 -1.034
595 3HD1 LEU 74 3HD1 LEU 74 -0.812 -5.794 -2.609
596 1HD2 LEU 74 1HD2 LEU 74 -1.227 -7.695 -4.154
597 2HD2 LEU 74 2HD2 LEU 74 -0.683 -9.315 -3.719
598 3HD2 LEU 74 3HD2 LEU 74 0.495 -8.075 -4.146
599 H ALA 75 H ALA 75 0.534 -11.315 0.810
600 HA ALA 75 HA ALA 75 3.373 -11.971 0.602
601 1HB ALA 75 1HB ALA 75 2.555 -10.840 2.639
602 2HB ALA 75 2HB ALA 75 3.275 -12.414 2.980
603 3HB ALA 75 3HB ALA 75 1.521 -12.229 2.970
604 H GLU 76 H GLU 76 0.732 -13.350 -0.501
605 HA GLU 76 HA GLU 76 0.106 -15.444 -1.096
606 1HB GLU 76 2HB GLU 76 2.400 -15.956 -1.636
607 2HB GLU 76 1HB GLU 76 2.798 -16.194 0.058
608 1HG GLU 76 2HG GLU 76 2.659 -18.315 -1.048
609 2HG GLU 76 1HG GLU 76 1.335 -18.167 0.104
610 H HIS 77 H HIS 77 1.858 -16.462 1.797
611 HA HIS 77 HA HIS 77 -0.693 -16.628 3.246
612 1HB HIS 77 2HB HIS 77 1.376 -18.845 3.209
613 2HB HIS 77 1HB HIS 77 -0.109 -18.834 4.148
614 HD1 HIS 77 HD1 HIS 77 -2.313 -18.388 2.335
615 HD2 HIS 77 HD2 HIS 77 1.094 -20.389 1.038
616 HE1 HIS 77 HE1 HIS 77 -3.021 -19.684 0.297
617 HE2 HIS 77 HE2 HIS 77 -0.884 -20.681 -0.602
618 H GLY 78 H GLY 78 2.340 -15.416 3.137
619 1HA GLY 78 2HA GLY 78 3.660 -14.365 4.695
620 2HA GLY 78 1HA GLY 78 2.413 -14.692 5.890
621 H LYS 79 H LYS 79 2.396 -16.724 6.919
622 HA LYS 79 HA LYS 79 3.178 -18.570 7.935
623 1HB LYS 79 2HB LYS 79 3.710 -19.332 5.610
624 2HB LYS 79 1HB LYS 79 5.324 -18.667 5.813
625 1HG LYS 79 2HG LYS 79 5.636 -20.181 7.764
626 2HG LYS 79 1HG LYS 79 4.078 -20.912 7.381
627 1HD LYS 79 2HD LYS 79 4.968 -21.456 5.117
628 2HD LYS 79 1HD LYS 79 6.546 -20.871 5.652
629 1HE LYS 79 2HE LYS 79 6.414 -22.538 7.526
630 2HE LYS 79 1HE LYS 79 4.974 -23.198 6.750
631 1HZ LYS 79 1HZ LYS 79 7.759 -23.187 5.748
632 2HZ LYS 79 2HZ LYS 79 6.444 -23.463 4.718
633 3HZ LYS 79 3HZ LYS 79 6.738 -24.517 6.013
634 H ASP 80 H ASP 80 6.068 -16.942 6.722
635 HA ASP 80 HA ASP 80 7.269 -17.252 9.379
636 1HB ASP 80 2HB ASP 80 9.426 -16.730 8.218
637 2HB ASP 80 1HB ASP 80 8.635 -18.195 7.652
638 H ALA 81 H ALA 81 6.469 -14.838 6.974
639 HA ALA 81 HA ALA 81 6.309 -12.577 7.037
640 1HB ALA 81 1HB ALA 81 5.951 -11.458 9.175
641 2HB ALA 81 2HB ALA 81 6.474 -12.910 10.030
642 3HB ALA 81 3HB ALA 81 4.996 -12.936 9.069
643 H LEU 82 H LEU 82 8.931 -14.077 7.123
644 HA LEU 82 HA LEU 82 10.674 -11.907 8.102
645 1HB LEU 82 2HB LEU 82 11.309 -14.804 7.517
646 2HB LEU 82 1HB LEU 82 12.474 -13.608 8.051
647 HG LEU 82 HG LEU 82 10.080 -14.506 9.662
648 1HD1 LEU 82 1HD1 LEU 82 12.994 -15.254 9.907
649 2HD1 LEU 82 2HD1 LEU 82 11.689 -16.314 9.377
650 3HD1 LEU 82 3HD1 LEU 82 11.714 -15.708 11.032
651 1HD2 LEU 82 1HD2 LEU 82 12.470 -12.820 10.418
652 2HD2 LEU 82 2HD2 LEU 82 11.162 -13.315 11.495
653 3HD2 LEU 82 3HD2 LEU 82 10.831 -12.222 10.152
654 H LYS 83 H LYS 83 9.839 -13.909 5.353
655 HA LYS 83 HA LYS 83 11.820 -12.490 3.706
656 1HB LYS 83 2HB LYS 83 11.631 -14.265 2.126
657 2HB LYS 83 1HB LYS 83 11.777 -15.002 3.715
658 1HG LYS 83 2HG LYS 83 9.309 -15.300 3.743
659 2HG LYS 83 1HG LYS 83 9.260 -14.692 2.087
660 1HD LYS 83 2HD LYS 83 10.863 -16.526 1.477
661 2HD LYS 83 1HD LYS 83 10.621 -17.185 3.095
662 1HE LYS 83 2HE LYS 83 8.559 -16.823 0.930
663 2HE LYS 83 1HE LYS 83 9.170 -18.343 1.578
664 1HZ LYS 83 1HZ LYS 83 8.218 -17.578 3.777
665 2HZ LYS 83 2HZ LYS 83 7.096 -18.005 2.578
666 3HZ LYS 83 3HZ LYS 83 7.408 -16.374 2.903
667 H VAL 84 H VAL 84 8.814 -11.935 4.632
668 HA VAL 84 HA VAL 84 7.355 -11.628 2.213
669 HB VAL 84 HB VAL 84 6.966 -10.225 4.866
670 1HG1 VAL 84 1HG1 VAL 84 4.691 -9.793 4.104
671 2HG1 VAL 84 2HG1 VAL 84 5.061 -10.537 2.549
672 3HG1 VAL 84 3HG1 VAL 84 5.869 -9.044 3.026
673 1HG2 VAL 84 1HG2 VAL 84 5.645 -12.700 3.750
674 2HG2 VAL 84 2HG2 VAL 84 5.248 -11.918 5.281
675 3HG2 VAL 84 3HG2 VAL 84 6.831 -12.661 5.053
676 H THR 85 H THR 85 8.098 -10.394 0.639
677 HA THR 85 HA THR 85 10.036 -8.513 0.654
678 HB THR 85 HB THR 85 7.670 -8.271 -1.194
679 HG1 THR 85 HG1 THR 85 9.266 -9.891 -2.368
680 1HG2 THR 85 1HG2 THR 85 9.412 -7.688 -2.831
681 2HG2 THR 85 2HG2 THR 85 10.641 -7.872 -1.576
682 3HG2 THR 85 3HG2 THR 85 9.431 -6.596 -1.447
683 H ALA 86 H ALA 86 6.560 -7.668 0.621
684 HA ALA 86 HA ALA 86 6.912 -4.905 0.660
685 1HB ALA 86 1HB ALA 86 4.566 -4.773 1.298
686 2HB ALA 86 2HB ALA 86 4.581 -6.481 1.734
687 3HB ALA 86 3HB ALA 86 4.817 -6.000 0.055
688 H LEU 87 H LEU 87 6.925 -7.184 3.310
689 HA LEU 87 HA LEU 87 6.579 -5.066 5.285
690 1HB LEU 87 2HB LEU 87 5.413 -7.322 5.436
691 2HB LEU 87 1HB LEU 87 6.980 -8.022 5.775
692 HG LEU 87 HG LEU 87 5.479 -7.597 7.766
693 1HD1 LEU 87 1HD1 LEU 87 7.874 -7.996 8.011
694 2HD1 LEU 87 2HD1 LEU 87 7.285 -6.835 9.203
695 3HD1 LEU 87 3HD1 LEU 87 8.182 -6.273 7.791
696 1HD2 LEU 87 1HD2 LEU 87 4.599 -5.437 7.112
697 2HD2 LEU 87 2HD2 LEU 87 6.216 -4.736 7.175
698 3HD2 LEU 87 3HD2 LEU 87 5.448 -5.311 8.654
699 H LYS 88 H LYS 88 8.912 -7.481 4.239
700 HA LYS 88 HA LYS 88 10.945 -6.932 6.083
701 1HB LYS 88 2HB LYS 88 10.819 -8.891 4.499
702 2HB LYS 88 1HB LYS 88 11.320 -7.803 3.213
703 1HG LYS 88 2HG LYS 88 13.402 -7.347 4.433
704 2HG LYS 88 1HG LYS 88 12.900 -8.495 5.678
705 1HD LYS 88 2HD LYS 88 12.701 -10.199 3.801
706 2HD LYS 88 1HD LYS 88 13.561 -9.036 2.792
707 1HE LYS 88 2HE LYS 88 15.166 -10.567 3.662
708 2HE LYS 88 1HE LYS 88 15.386 -9.035 4.505
709 1HZ LYS 88 1HZ LYS 88 13.795 -11.292 5.585
710 2HZ LYS 88 2HZ LYS 88 14.262 -9.885 6.410
711 3HZ LYS 88 3HZ LYS 88 15.427 -11.035 5.957
712 H LYS 89 H LYS 89 10.096 -5.466 2.988
713 HA LYS 89 HA LYS 89 12.391 -3.735 2.949
714 1HB LYS 89 2HB LYS 89 9.802 -3.645 1.395
715 2HB LYS 89 1HB LYS 89 11.142 -2.537 1.137
716 1HG LYS 89 2HG LYS 89 11.222 -5.526 0.768
717 2HG LYS 89 1HG LYS 89 11.144 -4.315 -0.513
718 1HD LYS 89 2HD LYS 89 13.309 -3.401 0.301
719 2HD LYS 89 1HD LYS 89 13.395 -4.735 1.454
720 1HE LYS 89 2HE LYS 89 13.307 -6.327 -0.424
721 2HE LYS 89 1HE LYS 89 13.290 -4.975 -1.552
722 1HZ LYS 89 1HZ LYS 89 15.486 -5.821 0.246
723 2HZ LYS 89 2HZ LYS 89 15.461 -4.292 -0.493
724 3HZ LYS 89 3HZ LYS 89 15.497 -5.693 -1.447
725 H TYR 90 H TYR 90 9.027 -3.433 3.979
726 HA TYR 90 HA TYR 90 9.045 -0.694 4.579
727 1HB TYR 90 2HB TYR 90 7.023 -2.139 4.487
728 2HB TYR 90 1HB TYR 90 7.508 -2.881 6.002
729 HD1 TYR 90 HD1 TYR 90 6.893 -1.899 8.053
730 HD2 TYR 90 HD2 TYR 90 6.534 0.351 4.460
731 HE1 TYR 90 HE1 TYR 90 5.676 -0.148 9.277
732 HE2 TYR 90 HE2 TYR 90 5.326 2.113 5.678
733 HH TYR 90 HH TYR 90 5.165 2.231 9.087
734 H ARG 91 H ARG 91 10.270 -3.458 6.319
735 HA ARG 91 HA ARG 91 10.733 -1.879 8.710
736 1HB ARG 91 2HB ARG 91 9.941 -4.238 8.834
737 2HB ARG 91 1HB ARG 91 11.480 -4.751 8.156
738 1HG ARG 91 2HG ARG 91 12.668 -4.122 10.077
739 2HG ARG 91 1HG ARG 91 11.330 -3.140 10.684
740 1HD ARG 91 2HD ARG 91 11.286 -6.142 10.380
741 2HD ARG 91 1HD ARG 91 11.572 -5.283 11.894
742 HE ARG 91 HE ARG 91 9.149 -4.408 10.736
743 1HH1 ARG 91 1HH1 ARG 91 10.515 -7.196 12.370
744 2HH1 ARG 91 2HH1 ARG 91 8.989 -7.701 13.035
745 1HH2 ARG 91 1HH2 ARG 91 7.149 -5.073 11.585
746 2HH2 ARG 91 2HH2 ARG 91 7.071 -6.512 12.567
747 H GLN 92 H GLN 92 12.619 -3.463 6.153
748 HA GLN 92 HA GLN 92 15.152 -2.778 7.243
749 1HB GLN 92 2HB GLN 92 14.805 -4.606 5.615
750 2HB GLN 92 1HB GLN 92 14.445 -3.414 4.374
751 1HG GLN 92 2HG GLN 92 16.683 -2.563 4.460
752 2HG GLN 92 1HG GLN 92 17.064 -3.588 5.845
753 1HE2 GLN 92 1HE2 GLN 92 17.359 -5.799 5.533
754 2HE2 GLN 92 2HE2 GLN 92 17.633 -6.487 3.968
755 H LEU 93 H LEU 93 12.876 -1.049 5.247
756 HA LEU 93 HA LEU 93 14.697 0.976 4.377
757 1HB LEU 93 2HB LEU 93 12.600 0.498 3.206
758 2HB LEU 93 1HB LEU 93 11.688 1.000 4.612
759 HG LEU 93 HG LEU 93 12.601 3.296 4.337
760 1HD1 LEU 93 1HD1 LEU 93 14.655 2.714 3.152
761 2HD1 LEU 93 2HD1 LEU 93 13.702 3.890 2.248
762 3HD1 LEU 93 3HD1 LEU 93 13.706 2.197 1.756
763 1HD2 LEU 93 1HD2 LEU 93 11.250 3.857 2.351
764 2HD2 LEU 93 2HD2 LEU 93 10.415 2.761 3.451
765 3HD2 LEU 93 3HD2 LEU 93 11.136 2.137 1.970
766 H LEU 94 H LEU 94 13.136 0.279 7.303
767 HA LEU 94 HA LEU 94 13.647 2.980 8.345
768 1HB LEU 94 2HB LEU 94 11.855 0.741 9.222
769 2HB LEU 94 1HB LEU 94 12.391 1.929 10.390
770 HG LEU 94 HG LEU 94 11.368 3.715 8.971
771 1HD1 LEU 94 1HD1 LEU 94 11.402 2.537 6.827
772 2HD1 LEU 94 2HD1 LEU 94 9.783 3.101 7.237
773 3HD1 LEU 94 3HD1 LEU 94 10.198 1.397 7.433
774 1HD2 LEU 94 1HD2 LEU 94 10.192 2.793 10.896
775 2HD2 LEU 94 2HD2 LEU 94 9.505 1.525 9.880
776 3HD2 LEU 94 3HD2 LEU 94 9.066 3.211 9.605
777 H GLU 95 H GLU 95 15.781 1.288 7.746
778 HA GLU 95 HA GLU 95 16.769 -0.266 9.836
779 1HB GLU 95 2HB GLU 95 17.776 0.886 7.378
780 2HB GLU 95 1HB GLU 95 19.004 0.866 8.637
781 1HG GLU 95 2HG GLU 95 17.407 -1.512 7.723
782 2HG GLU 95 1HG GLU 95 19.056 -1.132 7.227
783 H HIS 96 H HIS 96 18.637 0.172 11.210
784 HA HIS 96 HA HIS 96 18.329 2.822 12.438
785 1HB HIS 96 2HB HIS 96 18.098 0.452 13.667
786 2HB HIS 96 1HB HIS 96 19.834 0.690 13.860
787 HD1 HIS 96 HD1 HIS 96 17.915 0.735 16.291
788 HD2 HIS 96 HD2 HIS 96 19.170 4.106 14.208
789 HE1 HIS 96 HE1 HIS 96 17.607 2.669 17.869
790 HE2 HIS 96 HE2 HIS 96 18.112 4.707 16.480
791 H HIS 97 H HIS 97 20.514 0.962 10.591
792 HA HIS 97 HA HIS 97 22.629 2.881 11.224
793 1HB HIS 97 2HB HIS 97 23.987 1.561 9.501
794 2HB HIS 97 1HB HIS 97 23.636 0.773 11.030
795 HD1 HIS 97 HD1 HIS 97 22.963 -1.560 10.800
796 HD2 HIS 97 HD2 HIS 97 22.006 0.635 7.399
797 HE1 HIS 97 HE1 HIS 97 22.058 -3.229 9.149
798 HE2 HIS 97 HE2 HIS 97 21.666 -1.904 7.037
799 H HIS 98 H HIS 98 21.761 4.724 10.476
800 HA HIS 98 HA HIS 98 20.270 4.832 8.044
801 1HB HIS 98 2HB HIS 98 20.112 6.234 10.275
802 2HB HIS 98 1HB HIS 98 21.243 7.289 9.436
803 HD1 HIS 98 HD1 HIS 98 20.206 9.031 8.029
804 HD2 HIS 98 HD2 HIS 98 17.654 5.811 8.668
805 HE1 HIS 98 HE1 HIS 98 18.009 9.678 6.980
806 HE2 HIS 98 HE2 HIS 98 16.431 7.811 7.585
807 H HIS 99 H HIS 99 23.561 4.860 8.616
808 HA HIS 99 HA HIS 99 24.099 6.522 6.236
809 1HB HIS 99 2HB HIS 99 25.087 7.118 8.561
810 2HB HIS 99 1HB HIS 99 26.150 5.740 8.298
811 HD1 HIS 99 HD1 HIS 99 25.398 9.177 6.982
812 HD2 HIS 99 HD2 HIS 99 28.240 6.177 6.537
813 HE1 HIS 99 HE1 HIS 99 27.268 10.204 5.661
814 HE2 HIS 99 HE2 HIS 99 29.070 8.451 5.631
815 H HIS 100 H HIS 100 23.224 3.757 6.264
816 HA HIS 100 HA HIS 100 23.614 1.796 5.190
817 1HB HIS 100 2HB HIS 100 26.077 3.241 4.230
818 2HB HIS 100 1HB HIS 100 25.772 1.556 3.830
819 HD1 HIS 100 HD1 HIS 100 25.471 4.695 2.351
820 HD2 HIS 100 HD2 HIS 100 22.902 1.440 2.677
821 HE1 HIS 100 HE1 HIS 100 23.806 4.957 0.484
822 HE2 HIS 100 HE2 HIS 100 22.402 2.863 0.567
823 H HIS 101 H HIS 101 26.847 2.803 6.264
824 HA HIS 101 HA HIS 101 26.852 0.594 8.177
825 1HB HIS 101 2HB HIS 101 27.912 -0.202 6.052
826 2HB HIS 101 1HB HIS 101 29.103 1.085 6.205
827 HD1 HIS 101 HD1 HIS 101 31.207 0.382 7.266
828 HD2 HIS 101 HD2 HIS 101 28.002 -1.969 8.492
829 HE1 HIS 101 HE1 HIS 101 32.197 -1.396 8.748
830 HE2 HIS 101 HE2 HIS 101 30.269 -2.934 9.286
Start of MODEL 5
1 1H MET 1 1H MET 1 18.833 17.973 -12.996
2 2H MET 1 2H MET 1 19.868 17.718 -14.306
3 3H MET 1 3H MET 1 19.384 19.293 -13.899
4 HA MET 1 HA MET 1 21.623 18.936 -13.171
5 1HB MET 1 2HB MET 1 20.006 20.286 -11.787
6 2HB MET 1 1HB MET 1 19.737 18.857 -10.801
7 1HG MET 1 2HG MET 1 21.304 20.422 -9.771
8 2HG MET 1 1HG MET 1 22.047 18.857 -10.102
9 1HE MET 1 1HE MET 1 24.475 19.913 -9.785
10 2HE MET 1 2HE MET 1 23.721 21.464 -9.418
11 3HE MET 1 3HE MET 1 25.012 21.371 -10.617
12 H MET 2 H MET 2 23.009 17.814 -11.517
13 HA MET 2 HA MET 2 23.006 15.050 -11.945
14 1HB MET 2 2HB MET 2 24.425 16.716 -9.863
15 2HB MET 2 1HB MET 2 24.717 14.999 -10.086
16 1HG MET 2 2HG MET 2 26.432 16.249 -11.186
17 2HG MET 2 1HG MET 2 25.433 15.449 -12.395
18 1HE MET 2 1HE MET 2 26.574 17.050 -14.234
19 2HE MET 2 2HE MET 2 27.503 17.861 -12.972
20 3HE MET 2 3HE MET 2 26.568 18.811 -14.125
21 H PHE 3 H PHE 3 21.263 13.895 -11.308
22 HA PHE 3 HA PHE 3 20.516 14.001 -8.467
23 1HB PHE 3 2HB PHE 3 19.045 12.786 -10.822
24 2HB PHE 3 1HB PHE 3 18.499 12.719 -9.151
25 HD1 PHE 3 HD1 PHE 3 17.818 14.226 -12.094
26 HD2 PHE 3 HD2 PHE 3 18.683 15.285 -8.063
27 HE1 PHE 3 HE1 PHE 3 16.640 16.362 -12.408
28 HE2 PHE 3 HE2 PHE 3 17.506 17.424 -8.371
29 HZ PHE 3 HZ PHE 3 16.482 17.964 -10.542
30 H LEU 4 H LEU 4 19.674 11.672 -7.796
31 HA LEU 4 HA LEU 4 21.888 9.824 -8.287
32 1HB LEU 4 2HB LEU 4 19.651 9.820 -6.250
33 2HB LEU 4 1HB LEU 4 20.798 8.509 -6.419
34 HG LEU 4 HG LEU 4 22.618 10.237 -5.946
35 1HD1 LEU 4 1HD1 LEU 4 21.904 12.193 -4.643
36 2HD1 LEU 4 2HD1 LEU 4 20.222 11.811 -5.012
37 3HD1 LEU 4 3HD1 LEU 4 21.333 12.257 -6.309
38 1HD2 LEU 4 1HD2 LEU 4 22.283 10.065 -3.528
39 2HD2 LEU 4 2HD2 LEU 4 21.946 8.539 -4.347
40 3HD2 LEU 4 3HD2 LEU 4 20.616 9.559 -3.801
41 H ARG 5 H ARG 5 20.388 7.423 -7.721
42 HA ARG 5 HA ARG 5 19.071 6.991 -10.248
43 1HB ARG 5 2HB ARG 5 19.458 5.203 -7.840
44 2HB ARG 5 1HB ARG 5 18.690 4.687 -9.335
45 1HG ARG 5 2HG ARG 5 20.743 5.135 -10.563
46 2HG ARG 5 1HG ARG 5 21.518 5.687 -9.079
47 1HD ARG 5 2HD ARG 5 22.170 3.403 -9.576
48 2HD ARG 5 1HD ARG 5 21.213 3.462 -8.099
49 HE ARG 5 HE ARG 5 19.298 2.754 -9.592
50 1HH1 ARG 5 1HH1 ARG 5 22.621 1.969 -10.323
51 2HH1 ARG 5 2HH1 ARG 5 22.232 0.474 -11.130
52 1HH2 ARG 5 1HH2 ARG 5 18.766 0.787 -10.666
53 2HH2 ARG 5 2HH2 ARG 5 20.034 -0.178 -11.357
54 H LYS 6 H LYS 6 17.956 8.888 -8.254
55 HA LYS 6 HA LYS 6 15.205 7.917 -8.314
56 1HB LYS 6 2HB LYS 6 16.063 7.449 -6.028
57 2HB LYS 6 1HB LYS 6 16.482 9.148 -5.857
58 1HG LYS 6 2HG LYS 6 14.042 9.668 -6.229
59 2HG LYS 6 1HG LYS 6 13.738 7.938 -6.069
60 1HD LYS 6 2HD LYS 6 13.361 8.922 -3.931
61 2HD LYS 6 1HD LYS 6 14.886 8.038 -3.835
62 1HE LYS 6 2HE LYS 6 15.156 10.164 -2.747
63 2HE LYS 6 1HE LYS 6 16.090 10.167 -4.240
64 1HZ LYS 6 1HZ LYS 6 14.968 12.233 -4.085
65 2HZ LYS 6 2HZ LYS 6 13.482 11.492 -3.746
66 3HZ LYS 6 3HZ LYS 6 14.170 11.342 -5.285
67 H VAL 7 H VAL 7 13.797 9.504 -8.878
68 HA VAL 7 HA VAL 7 14.767 12.000 -9.790
69 HB VAL 7 HB VAL 7 11.888 11.258 -9.254
70 1HG1 VAL 7 1HG1 VAL 7 11.371 12.868 -11.013
71 2HG1 VAL 7 2HG1 VAL 7 13.085 13.238 -11.192
72 3HG1 VAL 7 3HG1 VAL 7 12.248 13.642 -9.692
73 1HG2 VAL 7 1HG2 VAL 7 12.966 9.554 -10.637
74 2HG2 VAL 7 2HG2 VAL 7 13.524 10.805 -11.747
75 3HG2 VAL 7 3HG2 VAL 7 11.798 10.491 -11.572
76 H GLU 8 H GLU 8 14.154 14.123 -9.007
77 HA GLU 8 HA GLU 8 14.734 14.472 -6.309
78 1HB GLU 8 2HB GLU 8 13.880 16.858 -6.743
79 2HB GLU 8 1HB GLU 8 15.256 16.282 -7.669
80 1HG GLU 8 2HG GLU 8 14.020 17.309 -9.288
81 2HG GLU 8 1HG GLU 8 13.458 15.645 -9.438
82 H GLY 9 H GLY 9 11.595 14.492 -7.945
83 1HA GLY 9 2HA GLY 9 10.368 13.659 -5.459
84 2HA GLY 9 1HA GLY 9 9.842 15.231 -6.044
85 HA PRO 10 HA PRO 10 8.636 11.839 -9.502
86 1HB PRO 10 2HB PRO 10 8.216 9.456 -8.036
87 2HB PRO 10 1HB PRO 10 9.455 9.749 -9.256
88 1HG PRO 10 2HG PRO 10 9.648 9.894 -6.291
89 2HG PRO 10 1HG PRO 10 10.871 9.406 -7.478
90 1HD PRO 10 2HD PRO 10 11.021 11.779 -6.282
91 2HD PRO 10 1HD PRO 10 11.422 11.603 -8.000
92 H ARG 11 H ARG 11 6.676 12.639 -9.707
93 HA ARG 11 HA ARG 11 4.755 12.442 -7.524
94 1HB ARG 11 2HB ARG 11 3.312 13.874 -9.001
95 2HB ARG 11 1HB ARG 11 4.826 14.614 -8.511
96 1HG ARG 11 2HG ARG 11 4.655 13.202 -11.137
97 2HG ARG 11 1HG ARG 11 3.987 14.825 -10.965
98 1HD ARG 11 2HD ARG 11 6.827 14.019 -10.326
99 2HD ARG 11 1HD ARG 11 6.308 14.838 -11.797
100 HE ARG 11 HE ARG 11 5.427 16.500 -9.867
101 1HH1 ARG 11 1HH1 ARG 11 8.560 15.057 -10.516
102 2HH1 ARG 11 2HH1 ARG 11 9.458 16.309 -9.708
103 1HH2 ARG 11 1HH2 ARG 11 6.592 18.168 -8.826
104 2HH2 ARG 11 2HH2 ARG 11 8.333 18.093 -8.756
105 H SER 12 H SER 12 5.766 10.597 -9.997
106 HA SER 12 HA SER 12 3.315 9.019 -9.893
107 1HB SER 12 2HB SER 12 3.389 10.341 -12.065
108 2HB SER 12 1HB SER 12 4.839 9.427 -12.473
109 HG SER 12 HG SER 12 2.709 7.876 -11.670
110 H VAL 13 H VAL 13 3.701 6.876 -9.734
111 HA VAL 13 HA VAL 13 6.528 6.121 -9.458
112 HB VAL 13 HB VAL 13 5.682 4.267 -7.996
113 1HG1 VAL 13 1HG1 VAL 13 6.604 6.322 -7.040
114 2HG1 VAL 13 2HG1 VAL 13 5.293 5.693 -6.041
115 3HG1 VAL 13 3HG1 VAL 13 5.009 7.071 -7.101
116 1HG2 VAL 13 1HG2 VAL 13 3.382 4.178 -8.813
117 2HG2 VAL 13 2HG2 VAL 13 3.081 5.791 -8.164
118 3HG2 VAL 13 3HG2 VAL 13 3.421 4.449 -7.070
119 H THR 14 H THR 14 7.348 4.463 -10.572
120 HA THR 14 HA THR 14 5.573 3.069 -12.440
121 HB THR 14 HB THR 14 8.602 3.081 -12.409
122 HG1 THR 14 HG1 THR 14 6.738 4.898 -13.379
123 1HG2 THR 14 1HG2 THR 14 8.385 2.259 -14.698
124 2HG2 THR 14 2HG2 THR 14 6.628 2.320 -14.570
125 3HG2 THR 14 3HG2 THR 14 7.543 1.179 -13.582
126 H LEU 15 H LEU 15 4.779 1.244 -11.633
127 HA LEU 15 HA LEU 15 6.200 -0.258 -9.616
128 1HB LEU 15 2HB LEU 15 3.610 -0.845 -11.060
129 2HB LEU 15 1HB LEU 15 4.223 -1.731 -9.673
130 HG LEU 15 HG LEU 15 3.415 1.181 -9.671
131 1HD1 LEU 15 1HD1 LEU 15 1.506 -0.322 -9.877
132 2HD1 LEU 15 2HD1 LEU 15 1.551 0.454 -8.294
133 3HD1 LEU 15 3HD1 LEU 15 2.062 -1.223 -8.467
134 1HD2 LEU 15 1HD2 LEU 15 4.320 -0.623 -7.429
135 2HD2 LEU 15 2HD2 LEU 15 3.687 1.012 -7.237
136 3HD2 LEU 15 3HD2 LEU 15 5.208 0.751 -8.091
137 HA PRO 16 HA PRO 16 8.500 -2.917 -12.206
138 1HB PRO 16 2HB PRO 16 8.396 -5.272 -10.811
139 2HB PRO 16 1HB PRO 16 9.412 -3.898 -10.360
140 1HG PRO 16 2HG PRO 16 6.725 -4.695 -9.301
141 2HG PRO 16 1HG PRO 16 8.160 -4.146 -8.411
142 1HD PRO 16 2HD PRO 16 6.115 -2.489 -8.912
143 2HD PRO 16 1HD PRO 16 7.797 -1.917 -8.957
144 H ASP 17 H ASP 17 5.215 -3.398 -11.818
145 HA ASP 17 HA ASP 17 5.041 -5.790 -13.466
146 1HB ASP 17 2HB ASP 17 2.812 -3.988 -12.475
147 2HB ASP 17 1HB ASP 17 2.628 -5.589 -13.179
148 H GLY 18 H GLY 18 5.692 -2.645 -14.038
149 1HA GLY 18 2HA GLY 18 5.797 -1.528 -16.079
150 2HA GLY 18 1HA GLY 18 4.822 -2.808 -16.797
151 H SER 19 H SER 19 4.137 -0.842 -13.954
152 HA SER 19 HA SER 19 1.799 0.271 -15.342
153 1HB SER 19 2HB SER 19 1.301 -1.789 -13.876
154 2HB SER 19 1HB SER 19 1.679 -0.752 -12.503
155 HG SER 19 HG SER 19 -0.550 -0.753 -12.934
156 H ILE 20 H ILE 20 1.594 2.416 -15.026
157 HA ILE 20 HA ILE 20 3.286 3.622 -12.938
158 HB ILE 20 HB ILE 20 3.104 5.738 -14.285
159 1HG1 ILE 20 2HG1 ILE 20 2.043 3.859 -16.410
160 2HG1 ILE 20 1HG1 ILE 20 1.106 5.112 -15.601
161 1HG2 ILE 20 1HG2 ILE 20 4.415 3.343 -15.563
162 2HG2 ILE 20 2HG2 ILE 20 5.110 4.397 -14.331
163 3HG2 ILE 20 3HG2 ILE 20 4.786 5.024 -15.947
164 1HD1 ILE 20 1HD1 ILE 20 3.489 5.543 -17.389
165 2HD1 ILE 20 2HD1 ILE 20 2.592 6.812 -16.556
166 3HD1 ILE 20 3HD1 ILE 20 1.800 5.843 -17.797
167 H MET 21 H MET 21 2.384 4.655 -11.325
168 HA MET 21 HA MET 21 -0.455 5.423 -11.539
169 1HB MET 21 2HB MET 21 1.027 4.296 -9.157
170 2HB MET 21 1HB MET 21 -0.575 5.011 -9.062
171 1HG MET 21 2HG MET 21 -1.441 3.301 -10.556
172 2HG MET 21 1HG MET 21 0.166 2.591 -10.691
173 1HE MET 21 1HE MET 21 -2.216 2.728 -6.738
174 2HE MET 21 2HE MET 21 -2.815 3.400 -8.255
175 3HE MET 21 3HE MET 21 -1.429 4.137 -7.451
176 H THR 22 H THR 22 -1.034 7.400 -10.673
177 HA THR 22 HA THR 22 1.233 9.155 -10.021
178 HB THR 22 HB THR 22 -0.308 11.025 -10.483
179 HG1 THR 22 HG1 THR 22 -2.151 8.902 -11.031
180 1HG2 THR 22 1HG2 THR 22 -0.507 10.692 -12.904
181 2HG2 THR 22 2HG2 THR 22 -0.213 8.965 -12.688
182 3HG2 THR 22 3HG2 THR 22 1.054 10.128 -12.302
183 H ARG 23 H ARG 23 0.390 11.062 -8.513
184 HA ARG 23 HA ARG 23 -0.115 9.826 -5.990
185 1HB ARG 23 2HB ARG 23 1.338 11.880 -6.482
186 2HB ARG 23 1HB ARG 23 -0.169 12.789 -6.534
187 1HG ARG 23 2HG ARG 23 -0.648 12.178 -4.239
188 2HG ARG 23 1HG ARG 23 0.804 11.177 -4.184
189 1HD ARG 23 2HD ARG 23 1.342 13.227 -3.115
190 2HD ARG 23 1HD ARG 23 2.128 13.247 -4.692
191 HE ARG 23 HE ARG 23 -0.371 14.695 -4.068
192 1HH1 ARG 23 1HH1 ARG 23 2.713 14.453 -5.718
193 2HH1 ARG 23 2HH1 ARG 23 2.571 16.000 -6.499
194 1HH2 ARG 23 1HH2 ARG 23 -0.551 16.740 -5.076
195 2HH2 ARG 23 2HH2 ARG 23 0.714 17.289 -6.137
196 H ALA 24 H ALA 24 -2.181 10.583 -8.433
197 HA ALA 24 HA ALA 24 -4.398 11.249 -6.619
198 1HB ALA 24 1HB ALA 24 -4.252 11.555 -9.617
199 2HB ALA 24 2HB ALA 24 -4.036 12.849 -8.436
200 3HB ALA 24 3HB ALA 24 -5.597 12.040 -8.585
201 H ASP 25 H ASP 25 -3.002 8.611 -7.932
202 HA ASP 25 HA ASP 25 -5.411 7.297 -8.886
203 1HB ASP 25 2HB ASP 25 -2.516 6.530 -8.798
204 2HB ASP 25 1HB ASP 25 -3.746 5.296 -9.048
205 H LEU 26 H LEU 26 -4.248 7.923 -5.917
206 HA LEU 26 HA LEU 26 -4.751 5.350 -4.705
207 1HB LEU 26 2HB LEU 26 -4.322 8.048 -3.420
208 2HB LEU 26 1HB LEU 26 -4.364 6.511 -2.578
209 HG LEU 26 HG LEU 26 -2.276 7.409 -4.564
210 1HD1 LEU 26 1HD1 LEU 26 -2.102 8.471 -2.375
211 2HD1 LEU 26 2HD1 LEU 26 -0.779 7.334 -2.640
212 3HD1 LEU 26 3HD1 LEU 26 -2.131 6.888 -1.599
213 1HD2 LEU 26 1HD2 LEU 26 -2.704 5.012 -4.773
214 2HD2 LEU 26 2HD2 LEU 26 -2.491 4.817 -3.033
215 3HD2 LEU 26 3HD2 LEU 26 -1.131 5.319 -4.037
216 HA PRO 27 HA PRO 27 -9.185 5.786 -4.249
217 1HB PRO 27 2HB PRO 27 -8.511 4.280 -1.753
218 2HB PRO 27 1HB PRO 27 -9.782 3.973 -2.946
219 1HG PRO 27 2HG PRO 27 -7.618 2.480 -2.980
220 2HG PRO 27 1HG PRO 27 -8.282 3.089 -4.505
221 1HD PRO 27 2HD PRO 27 -5.913 4.065 -2.953
222 2HD PRO 27 1HD PRO 27 -6.114 3.886 -4.709
223 HA PRO 28 HA PRO 28 -8.725 9.466 -1.660
224 1HB PRO 28 2HB PRO 28 -11.567 9.790 -2.442
225 2HB PRO 28 1HB PRO 28 -10.220 10.919 -2.605
226 1HG PRO 28 2HG PRO 28 -11.199 9.662 -4.735
227 2HG PRO 28 1HG PRO 28 -9.452 9.932 -4.559
228 1HD PRO 28 2HD PRO 28 -11.041 7.434 -4.087
229 2HD PRO 28 1HD PRO 28 -9.455 7.631 -4.861
230 H ALA 29 H ALA 29 -11.721 7.573 -1.622
231 HA ALA 29 HA ALA 29 -11.653 7.025 1.151
232 1HB ALA 29 1HB ALA 29 -13.502 8.391 1.921
233 2HB ALA 29 2HB ALA 29 -13.668 9.116 0.324
234 3HB ALA 29 3HB ALA 29 -12.224 9.433 1.291
235 H ASN 30 H ASN 30 -14.014 7.848 -1.359
236 HA ASN 30 HA ASN 30 -15.668 5.574 -0.668
237 1HB ASN 30 2HB ASN 30 -16.465 7.926 -1.441
238 2HB ASN 30 1HB ASN 30 -16.078 7.358 -3.059
239 1HD2 ASN 30 1HD2 ASN 30 -16.853 4.579 -2.245
240 2HD2 ASN 30 2HD2 ASN 30 -18.582 4.587 -2.292
241 H THR 31 H THR 31 -13.722 6.702 -3.389
242 HA THR 31 HA THR 31 -12.665 5.621 -5.080
243 HB THR 31 HB THR 31 -13.366 3.060 -3.634
244 HG1 THR 31 HG1 THR 31 -12.014 3.854 -2.227
245 1HG2 THR 31 1HG2 THR 31 -11.441 2.140 -4.840
246 2HG2 THR 31 2HG2 THR 31 -11.238 3.673 -5.687
247 3HG2 THR 31 3HG2 THR 31 -12.684 2.701 -5.958
248 H ARG 32 H ARG 32 -13.459 5.531 -7.043
249 HA ARG 32 HA ARG 32 -16.188 5.375 -7.558
250 1HB ARG 32 2HB ARG 32 -14.732 6.557 -9.043
251 2HB ARG 32 1HB ARG 32 -13.818 5.100 -9.399
252 1HG ARG 32 2HG ARG 32 -15.426 4.265 -10.807
253 2HG ARG 32 1HG ARG 32 -16.724 5.181 -10.037
254 1HD ARG 32 2HD ARG 32 -15.971 5.922 -12.361
255 2HD ARG 32 1HD ARG 32 -16.137 7.160 -11.122
256 HE ARG 32 HE ARG 32 -13.654 6.993 -10.869
257 1HH1 ARG 32 1HH1 ARG 32 -15.161 5.933 -13.837
258 2HH1 ARG 32 2HH1 ARG 32 -13.818 6.377 -14.842
259 1HH2 ARG 32 1HH2 ARG 32 -11.884 7.615 -12.181
260 2HH2 ARG 32 2HH2 ARG 32 -11.960 7.364 -13.901
261 H ARG 33 H ARG 33 -13.720 2.856 -7.776
262 HA ARG 33 HA ARG 33 -15.777 0.889 -7.411
263 1HB ARG 33 2HB ARG 33 -15.093 -0.503 -9.361
264 2HB ARG 33 1HB ARG 33 -15.908 0.988 -9.801
265 1HG ARG 33 2HG ARG 33 -13.792 2.006 -10.396
266 2HG ARG 33 1HG ARG 33 -12.930 0.553 -9.882
267 1HD ARG 33 2HD ARG 33 -13.183 0.576 -12.298
268 2HD ARG 33 1HD ARG 33 -14.115 -0.743 -11.592
269 HE ARG 33 HE ARG 33 -15.399 1.807 -12.334
270 1HH1 ARG 33 1HH1 ARG 33 -15.159 -1.676 -12.573
271 2HH1 ARG 33 2HH1 ARG 33 -16.652 -1.860 -13.439
272 1HH2 ARG 33 1HH2 ARG 33 -17.368 1.576 -13.498
273 2HH2 ARG 33 2HH2 ARG 33 -17.893 -0.000 -13.994
274 H TRP 34 H TRP 34 -14.985 -0.252 -5.785
275 HA TRP 34 HA TRP 34 -12.158 -0.632 -5.391
276 1HB TRP 34 2HB TRP 34 -14.590 -1.735 -3.984
277 2HB TRP 34 1HB TRP 34 -12.956 -2.241 -3.573
278 HD1 TRP 34 HD1 TRP 34 -15.484 0.411 -2.856
279 HE1 TRP 34 HE1 TRP 34 -14.479 2.156 -1.248
280 HE3 TRP 34 HE3 TRP 34 -10.572 -1.006 -3.092
281 HZ2 TRP 34 HZ2 TRP 34 -11.941 2.838 -0.226
282 HZ3 TRP 34 HZ3 TRP 34 -8.922 0.251 -1.769
283 HH2 TRP 34 HH2 TRP 34 -9.600 2.134 -0.372
284 H VAL 35 H VAL 35 -11.054 -2.021 -6.627
285 HA VAL 35 HA VAL 35 -12.199 -4.726 -6.881
286 HB VAL 35 HB VAL 35 -10.744 -5.124 -8.820
287 1HG1 VAL 35 1HG1 VAL 35 -11.926 -3.710 -10.443
288 2HG1 VAL 35 2HG1 VAL 35 -12.513 -2.703 -9.119
289 3HG1 VAL 35 3HG1 VAL 35 -13.009 -4.391 -9.230
290 1HG2 VAL 35 1HG2 VAL 35 -10.000 -2.219 -8.532
291 2HG2 VAL 35 2HG2 VAL 35 -9.630 -3.221 -9.935
292 3HG2 VAL 35 3HG2 VAL 35 -8.932 -3.613 -8.365
293 H ALA 36 H ALA 36 -10.234 -6.378 -7.102
294 HA ALA 36 HA ALA 36 -8.946 -6.313 -4.588
295 1HB ALA 36 1HB ALA 36 -8.281 -8.013 -6.992
296 2HB ALA 36 2HB ALA 36 -9.476 -8.400 -5.755
297 3HB ALA 36 3HB ALA 36 -7.766 -8.315 -5.331
298 H SER 37 H SER 37 -7.791 -5.630 -7.855
299 HA SER 37 HA SER 37 -5.098 -5.134 -7.152
300 1HB SER 37 2HB SER 37 -5.976 -5.598 -9.475
301 2HB SER 37 1HB SER 37 -6.615 -3.957 -9.493
302 HG SER 37 HG SER 37 -3.879 -4.623 -9.085
303 H ARG 38 H ARG 38 -7.992 -3.286 -6.869
304 HA ARG 38 HA ARG 38 -6.787 -0.696 -6.793
305 1HB ARG 38 2HB ARG 38 -9.142 -1.018 -7.394
306 2HB ARG 38 1HB ARG 38 -9.469 -1.660 -5.794
307 1HG ARG 38 2HG ARG 38 -10.241 0.634 -6.044
308 2HG ARG 38 1HG ARG 38 -8.998 0.489 -4.800
309 1HD ARG 38 2HD ARG 38 -8.713 2.469 -6.233
310 2HD ARG 38 1HD ARG 38 -7.335 1.375 -6.288
311 HE ARG 38 HE ARG 38 -9.051 0.726 -8.407
312 1HH1 ARG 38 1HH1 ARG 38 -6.981 3.386 -7.403
313 2HH1 ARG 38 2HH1 ARG 38 -6.639 3.894 -9.028
314 1HH2 ARG 38 1HH2 ARG 38 -8.575 1.391 -10.538
315 2HH2 ARG 38 2HH2 ARG 38 -7.536 2.758 -10.803
316 H LYS 39 H LYS 39 -7.848 -3.046 -4.363
317 HA LYS 39 HA LYS 39 -7.078 -1.531 -2.102
318 1HB LYS 39 2HB LYS 39 -7.294 -4.525 -2.475
319 2HB LYS 39 1HB LYS 39 -7.072 -3.730 -0.923
320 1HG LYS 39 2HG LYS 39 -9.211 -2.543 -1.269
321 2HG LYS 39 1HG LYS 39 -9.439 -3.449 -2.765
322 1HD LYS 39 2HD LYS 39 -9.571 -5.513 -1.590
323 2HD LYS 39 1HD LYS 39 -9.033 -4.763 -0.087
324 1HE LYS 39 2HE LYS 39 -11.106 -3.382 -0.114
325 2HE LYS 39 1HE LYS 39 -11.648 -4.300 -1.519
326 1HZ LYS 39 1HZ LYS 39 -12.548 -5.109 0.634
327 2HZ LYS 39 2HZ LYS 39 -10.975 -5.527 1.104
328 3HZ LYS 39 3HZ LYS 39 -11.694 -6.292 -0.233
329 H ILE 40 H ILE 40 -5.382 -4.008 -3.995
330 HA ILE 40 HA ILE 40 -2.959 -3.998 -2.598
331 HB ILE 40 HB ILE 40 -3.413 -4.480 -5.552
332 1HG1 ILE 40 2HG1 ILE 40 -3.245 -6.439 -3.250
333 2HG1 ILE 40 1HG1 ILE 40 -4.734 -5.945 -4.047
334 1HG2 ILE 40 1HG2 ILE 40 -1.089 -5.219 -3.778
335 2HG2 ILE 40 2HG2 ILE 40 -1.075 -4.058 -5.105
336 3HG2 ILE 40 3HG2 ILE 40 -1.318 -5.774 -5.437
337 1HD1 ILE 40 1HD1 ILE 40 -3.995 -8.111 -4.840
338 2HD1 ILE 40 2HD1 ILE 40 -2.447 -7.423 -5.330
339 3HD1 ILE 40 3HD1 ILE 40 -3.931 -6.921 -6.139
340 H ALA 41 H ALA 41 -4.198 -1.909 -5.139
341 HA ALA 41 HA ALA 41 -1.852 -0.463 -5.673
342 1HB ALA 41 1HB ALA 41 -3.287 1.208 -6.678
343 2HB ALA 41 2HB ALA 41 -4.698 0.523 -5.869
344 3HB ALA 41 3HB ALA 41 -3.852 -0.405 -7.109
345 H VAL 42 H VAL 42 -4.216 -0.186 -3.096
346 HA VAL 42 HA VAL 42 -3.453 2.389 -2.194
347 HB VAL 42 HB VAL 42 -4.538 0.182 -0.431
348 1HG1 VAL 42 1HG1 VAL 42 -5.445 2.031 0.875
349 2HG1 VAL 42 2HG1 VAL 42 -4.741 3.187 -0.255
350 3HG1 VAL 42 3HG1 VAL 42 -3.693 2.162 0.730
351 1HG2 VAL 42 1HG2 VAL 42 -6.070 2.126 -2.149
352 2HG2 VAL 42 2HG2 VAL 42 -6.774 1.048 -0.943
353 3HG2 VAL 42 3HG2 VAL 42 -5.986 0.379 -2.372
354 H VAL 43 H VAL 43 -2.596 -0.874 -0.989
355 HA VAL 43 HA VAL 43 -0.656 0.064 0.835
356 HB VAL 43 HB VAL 43 0.304 -2.414 0.345
357 1HG1 VAL 43 1HG1 VAL 43 -1.260 -3.159 2.150
358 2HG1 VAL 43 2HG1 VAL 43 -2.073 -1.599 2.003
359 3HG1 VAL 43 3HG1 VAL 43 -0.384 -1.672 2.499
360 1HG2 VAL 43 1HG2 VAL 43 -1.275 -2.854 -1.468
361 2HG2 VAL 43 2HG2 VAL 43 -2.626 -2.521 -0.383
362 3HG2 VAL 43 3HG2 VAL 43 -1.583 -3.913 -0.092
363 H ARG 44 H ARG 44 -0.406 -0.824 -2.567
364 HA ARG 44 HA ARG 44 2.422 -0.706 -2.722
365 1HB ARG 44 2HB ARG 44 0.247 -0.401 -4.780
366 2HB ARG 44 1HB ARG 44 1.942 -0.221 -5.198
367 1HG ARG 44 2HG ARG 44 2.371 -2.502 -4.419
368 2HG ARG 44 1HG ARG 44 0.659 -2.678 -4.028
369 1HD ARG 44 2HD ARG 44 0.029 -2.485 -6.309
370 2HD ARG 44 1HD ARG 44 1.647 -1.966 -6.780
371 HE ARG 44 HE ARG 44 1.236 -4.665 -5.692
372 1HH1 ARG 44 1HH1 ARG 44 2.103 -2.560 -8.343
373 2HH1 ARG 44 2HH1 ARG 44 2.820 -3.833 -9.295
374 1HH2 ARG 44 1HH2 ARG 44 2.162 -6.358 -6.968
375 2HH2 ARG 44 2HH2 ARG 44 2.845 -5.961 -8.520
376 H GLY 45 H GLY 45 -0.103 1.701 -3.365
377 1HA GLY 45 2HA GLY 45 1.666 3.691 -4.311
378 2HA GLY 45 1HA GLY 45 0.009 3.943 -3.798
379 H VAL 46 H VAL 46 0.559 2.911 -1.064
380 HA VAL 46 HA VAL 46 1.614 5.407 -0.055
381 HB VAL 46 HB VAL 46 0.987 4.589 2.190
382 1HG1 VAL 46 1HG1 VAL 46 -1.185 4.387 0.105
383 2HG1 VAL 46 2HG1 VAL 46 -0.604 5.864 0.873
384 3HG1 VAL 46 3HG1 VAL 46 -1.442 4.642 1.831
385 1HG2 VAL 46 1HG2 VAL 46 -0.325 2.553 2.452
386 2HG2 VAL 46 2HG2 VAL 46 1.289 2.181 1.844
387 3HG2 VAL 46 3HG2 VAL 46 -0.093 2.167 0.747
388 H ILE 47 H ILE 47 2.413 1.962 0.440
389 HA ILE 47 HA ILE 47 4.626 2.498 2.117
390 HB ILE 47 HB ILE 47 3.867 0.011 0.579
391 1HG1 ILE 47 2HG1 ILE 47 3.519 0.730 3.497
392 2HG1 ILE 47 1HG1 ILE 47 2.243 0.753 2.286
393 1HG2 ILE 47 1HG2 ILE 47 5.377 -1.197 2.086
394 2HG2 ILE 47 2HG2 ILE 47 5.919 0.338 2.760
395 3HG2 ILE 47 3HG2 ILE 47 6.239 -0.045 1.069
396 1HD1 ILE 47 1HD1 ILE 47 3.780 -1.689 3.143
397 2HD1 ILE 47 2HD1 ILE 47 2.441 -1.643 1.993
398 3HD1 ILE 47 3HD1 ILE 47 2.163 -1.247 3.689
399 H TYR 48 H TYR 48 4.409 1.592 -1.310
400 HA TYR 48 HA TYR 48 7.302 1.785 -1.578
401 1HB TYR 48 2HB TYR 48 6.107 -0.113 -2.610
402 2HB TYR 48 1HB TYR 48 5.169 1.009 -3.586
403 HD1 TYR 48 HD1 TYR 48 8.663 -0.120 -2.947
404 HD2 TYR 48 HD2 TYR 48 5.934 1.651 -5.693
405 HE1 TYR 48 HE1 TYR 48 10.371 -0.243 -4.714
406 HE2 TYR 48 HE2 TYR 48 7.634 1.532 -7.466
407 HH TYR 48 HH TYR 48 10.049 1.390 -7.693
408 H GLY 49 H GLY 49 4.573 3.748 -1.915
409 1HA GLY 49 2HA GLY 49 5.787 5.330 -4.061
410 2HA GLY 49 1HA GLY 49 4.103 5.394 -3.582
411 H LEU 50 H LEU 50 3.808 6.218 -1.204
412 HA LEU 50 HA LEU 50 5.151 8.820 -1.433
413 1HB LEU 50 2HB LEU 50 2.388 8.232 -0.392
414 2HB LEU 50 1HB LEU 50 3.100 9.820 -0.618
415 HG LEU 50 HG LEU 50 2.471 7.859 -2.831
416 1HD1 LEU 50 1HD1 LEU 50 0.457 8.771 -1.835
417 2HD1 LEU 50 2HD1 LEU 50 0.723 9.471 -3.431
418 3HD1 LEU 50 3HD1 LEU 50 1.099 10.407 -1.983
419 1HD2 LEU 50 1HD2 LEU 50 3.434 10.715 -2.950
420 2HD2 LEU 50 2HD2 LEU 50 2.996 9.706 -4.329
421 3HD2 LEU 50 3HD2 LEU 50 4.393 9.285 -3.339
422 H ILE 51 H ILE 51 3.233 7.280 1.181
423 HA ILE 51 HA ILE 51 5.092 8.614 3.033
424 HB ILE 51 HB ILE 51 3.326 9.280 4.467
425 1HG1 ILE 51 2HG1 ILE 51 1.879 7.285 4.246
426 2HG1 ILE 51 1HG1 ILE 51 0.972 8.784 4.117
427 1HG2 ILE 51 1HG2 ILE 51 3.711 10.775 2.629
428 2HG2 ILE 51 2HG2 ILE 51 1.990 10.757 3.019
429 3HG2 ILE 51 3HG2 ILE 51 2.586 9.874 1.613
430 1HD1 ILE 51 1HD1 ILE 51 0.211 7.087 2.537
431 2HD1 ILE 51 2HD1 ILE 51 1.816 7.057 1.804
432 3HD1 ILE 51 3HD1 ILE 51 0.833 8.519 1.714
433 H THR 52 H THR 52 4.234 7.850 5.421
434 HA THR 52 HA THR 52 5.058 5.072 5.467
435 HB THR 52 HB THR 52 5.236 5.391 7.903
436 HG1 THR 52 HG1 THR 52 4.477 8.103 7.425
437 1HG2 THR 52 1HG2 THR 52 7.123 6.000 6.459
438 2HG2 THR 52 2HG2 THR 52 7.034 7.041 7.880
439 3HG2 THR 52 3HG2 THR 52 6.481 7.639 6.316
440 H LEU 53 H LEU 53 3.989 3.689 7.232
441 HA LEU 53 HA LEU 53 1.326 3.200 6.447
442 1HB LEU 53 2HB LEU 53 2.754 1.416 7.229
443 2HB LEU 53 1HB LEU 53 2.930 2.181 8.796
444 HG LEU 53 HG LEU 53 0.533 1.779 9.246
445 1HD1 LEU 53 1HD1 LEU 53 -0.754 0.316 7.789
446 2HD1 LEU 53 2HD1 LEU 53 0.586 0.260 6.641
447 3HD1 LEU 53 3HD1 LEU 53 -0.263 1.778 6.933
448 1HD2 LEU 53 1HD2 LEU 53 2.205 0.180 10.004
449 2HD2 LEU 53 2HD2 LEU 53 2.097 -0.679 8.468
450 3HD2 LEU 53 3HD2 LEU 53 0.710 -0.642 9.557
451 H ALA 54 H ALA 54 2.646 5.259 8.874
452 HA ALA 54 HA ALA 54 0.569 5.335 10.743
453 1HB ALA 54 1HB ALA 54 2.381 7.595 9.901
454 2HB ALA 54 2HB ALA 54 2.765 6.363 11.103
455 3HB ALA 54 3HB ALA 54 1.456 7.506 11.398
456 H GLU 55 H GLU 55 1.144 7.567 8.025
457 HA GLU 55 HA GLU 55 -1.345 8.899 8.310
458 1HB GLU 55 2HB GLU 55 0.677 9.868 7.217
459 2HB GLU 55 1HB GLU 55 0.446 8.757 5.875
460 1HG GLU 55 2HG GLU 55 -0.401 10.956 5.333
461 2HG GLU 55 1HG GLU 55 -1.712 9.778 5.395
462 H ALA 56 H ALA 56 -0.214 6.233 6.322
463 HA ALA 56 HA ALA 56 -2.496 6.016 4.657
464 1HB ALA 56 1HB ALA 56 -0.535 3.863 5.457
465 2HB ALA 56 2HB ALA 56 -0.330 4.995 4.120
466 3HB ALA 56 3HB ALA 56 -1.641 3.815 4.084
467 H LYS 57 H LYS 57 -1.823 4.843 7.895
468 HA LYS 57 HA LYS 57 -4.168 3.149 7.881
469 1HB LYS 57 2HB LYS 57 -2.082 2.694 9.241
470 2HB LYS 57 1HB LYS 57 -2.566 4.022 10.286
471 1HG LYS 57 2HG LYS 57 -4.581 2.872 10.909
472 2HG LYS 57 1HG LYS 57 -4.250 1.585 9.748
473 1HD LYS 57 2HD LYS 57 -3.607 0.757 11.877
474 2HD LYS 57 1HD LYS 57 -2.114 1.150 11.020
475 1HE LYS 57 2HE LYS 57 -1.847 1.970 13.220
476 2HE LYS 57 1HE LYS 57 -2.173 3.376 12.209
477 1HZ LYS 57 1HZ LYS 57 -4.137 1.968 13.937
478 2HZ LYS 57 2HZ LYS 57 -4.500 3.284 12.934
479 3HZ LYS 57 3HZ LYS 57 -3.440 3.485 14.246
480 H GLN 58 H GLN 58 -3.242 6.302 9.186
481 HA GLN 58 HA GLN 58 -5.650 6.732 10.602
482 1HB GLN 58 2HB GLN 58 -3.562 8.644 9.570
483 2HB GLN 58 1HB GLN 58 -4.945 9.159 10.527
484 1HG GLN 58 2HG GLN 58 -4.222 7.692 12.351
485 2HG GLN 58 1HG GLN 58 -2.826 7.205 11.391
486 1HE2 GLN 58 1HE2 GLN 58 -3.029 8.566 14.003
487 2HE2 GLN 58 2HE2 GLN 58 -2.089 10.013 13.825
488 H THR 59 H THR 59 -4.677 7.512 7.290
489 HA THR 59 HA THR 59 -7.310 8.699 6.842
490 HB THR 59 HB THR 59 -4.890 8.599 5.036
491 HG1 THR 59 HG1 THR 59 -4.364 10.232 6.312
492 1HG2 THR 59 1HG2 THR 59 -6.984 8.647 3.748
493 2HG2 THR 59 2HG2 THR 59 -6.108 10.173 3.612
494 3HG2 THR 59 3HG2 THR 59 -7.515 10.055 4.670
495 H TYR 60 H TYR 60 -5.233 6.225 5.274
496 HA TYR 60 HA TYR 60 -7.603 5.293 3.843
497 1HB TYR 60 2HB TYR 60 -4.758 4.433 3.372
498 2HB TYR 60 1HB TYR 60 -6.134 4.194 2.308
499 HD1 TYR 60 HD1 TYR 60 -3.436 6.385 3.212
500 HD2 TYR 60 HD2 TYR 60 -7.187 6.230 1.211
501 HE1 TYR 60 HE1 TYR 60 -2.894 8.481 2.049
502 HE2 TYR 60 HE2 TYR 60 -6.652 8.324 0.038
503 HH TYR 60 HH TYR 60 -5.232 10.249 0.266
504 H GLY 61 H GLY 61 -6.717 4.662 6.740
505 1HA GLY 61 2HA GLY 61 -5.889 1.927 6.677
506 2HA GLY 61 1HA GLY 61 -6.318 2.854 8.103
507 H LEU 62 H LEU 62 -8.911 3.382 6.372
508 HA LEU 62 HA LEU 62 -11.076 2.694 6.623
509 1HB LEU 62 2HB LEU 62 -10.681 -0.045 5.817
510 2HB LEU 62 1HB LEU 62 -11.457 1.270 4.959
511 HG LEU 62 HG LEU 62 -8.811 1.875 4.621
512 1HD1 LEU 62 1HD1 LEU 62 -7.700 -0.189 3.911
513 2HD1 LEU 62 2HD1 LEU 62 -9.064 -1.124 4.531
514 3HD1 LEU 62 3HD1 LEU 62 -8.061 -0.185 5.639
515 1HD2 LEU 62 1HD2 LEU 62 -10.495 0.142 2.824
516 2HD2 LEU 62 2HD2 LEU 62 -9.096 1.106 2.346
517 3HD2 LEU 62 3HD2 LEU 62 -10.564 1.903 2.913
518 H SER 63 H SER 63 -10.312 -0.642 7.112
519 HA SER 63 HA SER 63 -10.652 -0.319 10.014
520 1HB SER 63 2HB SER 63 -11.573 -2.682 9.970
521 2HB SER 63 1HB SER 63 -12.607 -1.465 9.225
522 HG SER 63 HG SER 63 -12.568 -3.003 7.723
523 H ASP 64 H ASP 64 -9.272 -1.578 11.320
524 HA ASP 64 HA ASP 64 -6.649 -1.677 10.378
525 1HB ASP 64 2HB ASP 64 -7.385 -1.458 12.776
526 2HB ASP 64 1HB ASP 64 -7.709 -3.186 12.771
527 H GLU 65 H GLU 65 -9.056 -4.231 10.655
528 HA GLU 65 HA GLU 65 -7.235 -6.339 10.028
529 1HB GLU 65 2HB GLU 65 -10.246 -6.236 9.957
530 2HB GLU 65 1HB GLU 65 -9.296 -7.696 9.708
531 1HG GLU 65 2HG GLU 65 -8.325 -7.403 11.951
532 2HG GLU 65 1HG GLU 65 -9.375 -6.011 12.198
533 H GLU 66 H GLU 66 -9.367 -4.279 8.128
534 HA GLU 66 HA GLU 66 -9.256 -5.747 5.719
535 1HB GLU 66 2HB GLU 66 -10.905 -3.978 6.103
536 2HB GLU 66 1HB GLU 66 -9.626 -2.780 6.158
537 1HG GLU 66 2HG GLU 66 -10.734 -2.672 4.041
538 2HG GLU 66 1HG GLU 66 -9.090 -3.260 3.812
539 H PHE 67 H PHE 67 -7.290 -3.052 6.942
540 HA PHE 67 HA PHE 67 -5.645 -2.813 4.678
541 1HB PHE 67 2HB PHE 67 -5.922 -1.247 6.760
542 2HB PHE 67 1HB PHE 67 -4.618 -2.219 7.434
543 HD1 PHE 67 HD1 PHE 67 -5.486 0.478 5.272
544 HD2 PHE 67 HD2 PHE 67 -2.439 -2.367 6.131
545 HE1 PHE 67 HE1 PHE 67 -3.858 1.861 4.051
546 HE2 PHE 67 HE2 PHE 67 -0.806 -0.987 4.914
547 HZ PHE 67 HZ PHE 67 -1.513 1.127 3.871
548 H ASN 68 H ASN 68 -5.321 -4.716 7.651
549 HA ASN 68 HA ASN 68 -2.791 -5.838 6.998
550 1HB ASN 68 2HB ASN 68 -4.921 -6.483 8.998
551 2HB ASN 68 1HB ASN 68 -3.640 -7.654 8.702
552 1HD2 ASN 68 1HD2 ASN 68 -4.436 -4.531 9.982
553 2HD2 ASN 68 2HD2 ASN 68 -2.923 -4.246 10.781
554 H SER 69 H SER 69 -6.053 -6.622 6.142
555 HA SER 69 HA SER 69 -5.699 -9.289 5.352
556 1HB SER 69 2HB SER 69 -7.907 -8.194 5.620
557 2HB SER 69 1HB SER 69 -7.585 -7.223 4.184
558 HG SER 69 HG SER 69 -8.841 -9.048 3.683
559 H TRP 70 H TRP 70 -5.179 -6.230 3.639
560 HA TRP 70 HA TRP 70 -4.691 -7.338 1.094
561 1HB TRP 70 2HB TRP 70 -3.441 -4.822 2.214
562 2HB TRP 70 1HB TRP 70 -3.692 -5.220 0.518
563 HD1 TRP 70 HD1 TRP 70 -6.829 -6.268 1.480
564 HE1 TRP 70 HE1 TRP 70 -8.595 -4.401 1.609
565 HE3 TRP 70 HE3 TRP 70 -3.715 -2.230 1.638
566 HZ2 TRP 70 HZ2 TRP 70 -8.651 -1.583 1.723
567 HZ3 TRP 70 HZ3 TRP 70 -4.700 0.019 1.751
568 HH2 TRP 70 HH2 TRP 70 -7.116 0.334 1.791
569 H VAL 71 H VAL 71 -2.454 -6.326 3.657
570 HA VAL 71 HA VAL 71 -0.093 -7.154 2.383
571 HB VAL 71 HB VAL 71 -0.595 -7.002 5.358
572 1HG1 VAL 71 1HG1 VAL 71 1.961 -6.788 3.777
573 2HG1 VAL 71 2HG1 VAL 71 1.473 -8.153 4.778
574 3HG1 VAL 71 3HG1 VAL 71 1.805 -6.589 5.521
575 1HG2 VAL 71 1HG2 VAL 71 0.342 -4.846 3.470
576 2HG2 VAL 71 2HG2 VAL 71 0.208 -4.703 5.223
577 3HG2 VAL 71 3HG2 VAL 71 -1.242 -4.927 4.245
578 H SER 72 H SER 72 -2.342 -8.849 4.507
579 HA SER 72 HA SER 72 -0.825 -11.202 4.848
580 1HB SER 72 2HB SER 72 -3.797 -10.674 4.999
581 2HB SER 72 1HB SER 72 -3.068 -12.224 5.430
582 HG SER 72 HG SER 72 -2.769 -9.698 6.658
583 H ALA 73 H ALA 73 -3.114 -10.190 2.360
584 HA ALA 73 HA ALA 73 -3.117 -12.736 1.029
585 1HB ALA 73 1HB ALA 73 -5.003 -11.153 0.852
586 2HB ALA 73 2HB ALA 73 -4.363 -11.619 -0.724
587 3HB ALA 73 3HB ALA 73 -3.964 -10.042 -0.041
588 H LEU 74 H LEU 74 -1.255 -9.799 0.875
589 HA LEU 74 HA LEU 74 0.075 -10.474 -1.589
590 1HB LEU 74 2HB LEU 74 0.587 -8.347 0.489
591 2HB LEU 74 1HB LEU 74 1.510 -8.501 -0.994
592 HG LEU 74 HG LEU 74 -1.468 -8.013 -0.888
593 1HD1 LEU 74 1HD1 LEU 74 0.787 -6.086 -1.414
594 2HD1 LEU 74 2HD1 LEU 74 -0.251 -6.108 0.011
595 3HD1 LEU 74 3HD1 LEU 74 -0.934 -5.733 -1.573
596 1HD2 LEU 74 1HD2 LEU 74 -0.726 -9.157 -2.908
597 2HD2 LEU 74 2HD2 LEU 74 0.501 -7.918 -3.170
598 3HD2 LEU 74 3HD2 LEU 74 -1.210 -7.498 -3.264
599 H ALA 75 H ALA 75 0.347 -11.412 1.608
600 HA ALA 75 HA ALA 75 3.137 -12.235 1.328
601 1HB ALA 75 1HB ALA 75 1.255 -12.510 3.671
602 2HB ALA 75 2HB ALA 75 2.454 -11.233 3.458
603 3HB ALA 75 3HB ALA 75 2.974 -12.905 3.670
604 H GLU 76 H GLU 76 0.043 -13.315 0.735
605 HA GLU 76 HA GLU 76 -0.926 -15.258 0.150
606 1HB GLU 76 2HB GLU 76 1.152 -15.595 -1.198
607 2HB GLU 76 1HB GLU 76 1.830 -16.490 0.157
608 1HG GLU 76 2HG GLU 76 -0.080 -18.066 -0.005
609 2HG GLU 76 1HG GLU 76 -0.598 -17.219 -1.462
610 H HIS 77 H HIS 77 1.706 -16.046 2.410
611 HA HIS 77 HA HIS 77 0.057 -18.040 3.713
612 1HB HIS 77 2HB HIS 77 2.692 -17.057 4.782
613 2HB HIS 77 1HB HIS 77 1.960 -18.646 4.959
614 HD1 HIS 77 HD1 HIS 77 4.656 -17.115 3.344
615 HD2 HIS 77 HD2 HIS 77 1.795 -19.884 2.122
616 HE1 HIS 77 HE1 HIS 77 5.618 -18.240 1.300
617 HE2 HIS 77 HE2 HIS 77 3.838 -19.847 0.528
618 H GLY 78 H GLY 78 1.716 -15.060 4.733
619 1HA GLY 78 2HA GLY 78 1.098 -13.480 6.301
620 2HA GLY 78 1HA GLY 78 -0.460 -14.281 6.435
621 H LYS 79 H LYS 79 2.094 -16.423 6.779
622 HA LYS 79 HA LYS 79 1.834 -16.369 9.710
623 1HB LYS 79 2HB LYS 79 2.421 -18.741 7.932
624 2HB LYS 79 1HB LYS 79 2.242 -18.777 9.678
625 1HG LYS 79 2HG LYS 79 -0.098 -18.140 9.462
626 2HG LYS 79 1HG LYS 79 0.080 -18.059 7.707
627 1HD LYS 79 2HD LYS 79 -0.926 -20.168 8.330
628 2HD LYS 79 1HD LYS 79 0.693 -20.447 7.691
629 1HE LYS 79 2HE LYS 79 1.478 -20.417 10.114
630 2HE LYS 79 1HE LYS 79 -0.226 -20.528 10.553
631 1HZ LYS 79 1HZ LYS 79 1.297 -22.481 8.917
632 2HZ LYS 79 2HZ LYS 79 -0.364 -22.581 9.244
633 3HZ LYS 79 3HZ LYS 79 0.760 -22.704 10.508
634 H ASP 80 H ASP 80 4.017 -16.856 6.986
635 HA ASP 80 HA ASP 80 6.306 -17.420 8.558
636 1HB ASP 80 2HB ASP 80 7.588 -17.160 6.506
637 2HB ASP 80 1HB ASP 80 6.127 -18.084 6.178
638 H ALA 81 H ALA 81 5.164 -14.492 6.934
639 HA ALA 81 HA ALA 81 5.632 -12.288 7.190
640 1HB ALA 81 1HB ALA 81 6.045 -11.473 9.441
641 2HB ALA 81 2HB ALA 81 6.447 -13.102 9.980
642 3HB ALA 81 3HB ALA 81 4.804 -12.726 9.463
643 H LEU 82 H LEU 82 7.761 -14.210 6.323
644 HA LEU 82 HA LEU 82 10.147 -12.756 7.248
645 1HB LEU 82 2HB LEU 82 10.072 -15.110 7.930
646 2HB LEU 82 1HB LEU 82 9.898 -15.599 6.258
647 HG LEU 82 HG LEU 82 12.321 -14.022 6.985
648 1HD1 LEU 82 1HD1 LEU 82 12.161 -15.641 8.804
649 2HD1 LEU 82 2HD1 LEU 82 13.482 -16.050 7.708
650 3HD1 LEU 82 3HD1 LEU 82 11.966 -16.947 7.636
651 1HD2 LEU 82 1HD2 LEU 82 13.345 -15.460 5.308
652 2HD2 LEU 82 2HD2 LEU 82 11.888 -14.705 4.662
653 3HD2 LEU 82 3HD2 LEU 82 11.857 -16.393 5.174
654 H LYS 83 H LYS 83 8.556 -14.187 4.432
655 HA LYS 83 HA LYS 83 10.524 -12.768 2.750
656 1HB LYS 83 2HB LYS 83 10.363 -15.281 2.515
657 2HB LYS 83 1HB LYS 83 8.736 -15.052 1.887
658 1HG LYS 83 2HG LYS 83 9.640 -13.710 0.047
659 2HG LYS 83 1HG LYS 83 11.268 -13.961 0.673
660 1HD LYS 83 2HD LYS 83 11.080 -16.346 0.294
661 2HD LYS 83 1HD LYS 83 9.405 -16.157 -0.230
662 1HE LYS 83 2HE LYS 83 10.152 -14.767 -2.107
663 2HE LYS 83 1HE LYS 83 11.823 -14.958 -1.582
664 1HZ LYS 83 1HZ LYS 83 10.054 -17.205 -2.380
665 2HZ LYS 83 2HZ LYS 83 11.713 -17.288 -2.034
666 3HZ LYS 83 3HZ LYS 83 11.177 -16.459 -3.410
667 H VAL 84 H VAL 84 8.012 -11.764 4.042
668 HA VAL 84 HA VAL 84 6.259 -11.116 1.858
669 HB VAL 84 HB VAL 84 6.512 -9.670 4.498
670 1HG1 VAL 84 1HG1 VAL 84 4.230 -8.952 4.069
671 2HG1 VAL 84 2HG1 VAL 84 4.203 -9.867 2.561
672 3HG1 VAL 84 3HG1 VAL 84 5.279 -8.477 2.733
673 1HG2 VAL 84 1HG2 VAL 84 4.742 -12.011 3.795
674 2HG2 VAL 84 2HG2 VAL 84 4.712 -11.109 5.310
675 3HG2 VAL 84 3HG2 VAL 84 6.134 -12.056 4.877
676 H THR 85 H THR 85 7.295 -10.089 0.227
677 HA THR 85 HA THR 85 9.540 -8.489 0.415
678 HB THR 85 HB THR 85 7.407 -8.356 -1.722
679 HG1 THR 85 HG1 THR 85 8.117 -10.454 -1.636
680 1HG2 THR 85 1HG2 THR 85 9.191 -7.568 -3.176
681 2HG2 THR 85 2HG2 THR 85 10.342 -7.652 -1.843
682 3HG2 THR 85 3HG2 THR 85 9.015 -6.490 -1.789
683 H ALA 86 H ALA 86 6.131 -7.452 0.193
684 HA ALA 86 HA ALA 86 6.634 -4.703 0.020
685 1HB ALA 86 1HB ALA 86 4.471 -5.685 -0.514
686 2HB ALA 86 2HB ALA 86 4.297 -4.407 0.689
687 3HB ALA 86 3HB ALA 86 4.228 -6.099 1.184
688 H LEU 87 H LEU 87 6.380 -6.801 2.830
689 HA LEU 87 HA LEU 87 6.244 -4.540 4.646
690 1HB LEU 87 2HB LEU 87 4.954 -6.759 4.892
691 2HB LEU 87 1HB LEU 87 6.475 -7.435 5.433
692 HG LEU 87 HG LEU 87 4.888 -6.770 7.262
693 1HD1 LEU 87 1HD1 LEU 87 7.277 -7.033 7.701
694 2HD1 LEU 87 2HD1 LEU 87 6.575 -5.749 8.685
695 3HD1 LEU 87 3HD1 LEU 87 7.545 -5.343 7.269
696 1HD2 LEU 87 1HD2 LEU 87 5.573 -3.983 6.330
697 2HD2 LEU 87 2HD2 LEU 87 4.711 -4.387 7.815
698 3HD2 LEU 87 3HD2 LEU 87 3.989 -4.755 6.250
699 H LYS 88 H LYS 88 8.403 -7.234 3.881
700 HA LYS 88 HA LYS 88 10.436 -6.534 5.700
701 1HB LYS 88 2HB LYS 88 10.490 -8.739 4.858
702 2HB LYS 88 1HB LYS 88 10.412 -8.194 3.191
703 1HG LYS 88 2HG LYS 88 12.633 -7.782 3.073
704 2HG LYS 88 1HG LYS 88 12.759 -7.344 4.776
705 1HD LYS 88 2HD LYS 88 12.337 -10.155 3.774
706 2HD LYS 88 1HD LYS 88 13.917 -9.467 4.157
707 1HE LYS 88 2HE LYS 88 13.118 -9.019 6.457
708 2HE LYS 88 1HE LYS 88 11.604 -9.822 6.057
709 1HZ LYS 88 1HZ LYS 88 13.118 -11.309 7.209
710 2HZ LYS 88 2HZ LYS 88 14.293 -11.081 6.004
711 3HZ LYS 88 3HZ LYS 88 12.831 -11.853 5.627
712 H LYS 89 H LYS 89 9.704 -5.463 2.425
713 HA LYS 89 HA LYS 89 12.166 -4.078 2.048
714 1HB LYS 89 2HB LYS 89 10.328 -4.627 0.277
715 2HB LYS 89 1HB LYS 89 9.606 -3.118 0.828
716 1HG LYS 89 2HG LYS 89 10.932 -2.614 -1.071
717 2HG LYS 89 1HG LYS 89 11.777 -1.989 0.348
718 1HD LYS 89 2HD LYS 89 12.737 -4.571 0.090
719 2HD LYS 89 1HD LYS 89 12.603 -4.009 -1.578
720 1HE LYS 89 2HE LYS 89 14.783 -3.439 -0.840
721 2HE LYS 89 1HE LYS 89 13.852 -1.942 -0.860
722 1HZ LYS 89 1HZ LYS 89 14.512 -3.593 1.521
723 2HZ LYS 89 2HZ LYS 89 13.495 -2.237 1.551
724 3HZ LYS 89 3HZ LYS 89 15.128 -2.059 1.151
725 H TYR 90 H TYR 90 8.941 -3.026 3.081
726 HA TYR 90 HA TYR 90 9.493 -0.365 3.639
727 1HB TYR 90 2HB TYR 90 7.249 -1.407 3.676
728 2HB TYR 90 1HB TYR 90 7.669 -2.240 5.162
729 HD1 TYR 90 HD1 TYR 90 7.565 1.261 3.816
730 HD2 TYR 90 HD2 TYR 90 6.906 -1.330 7.129
731 HE1 TYR 90 HE1 TYR 90 6.631 3.143 5.098
732 HE2 TYR 90 HE2 TYR 90 5.983 0.546 8.419
733 HH TYR 90 HH TYR 90 6.021 2.960 8.473
734 H ARG 91 H ARG 91 9.684 -3.155 5.814
735 HA ARG 91 HA ARG 91 10.551 -1.789 8.095
736 1HB ARG 91 2HB ARG 91 9.637 -4.081 8.085
737 2HB ARG 91 1HB ARG 91 11.092 -4.650 7.282
738 1HG ARG 91 2HG ARG 91 11.187 -5.182 9.620
739 2HG ARG 91 1HG ARG 91 12.415 -3.974 9.239
740 1HD ARG 91 2HD ARG 91 11.003 -2.219 10.134
741 2HD ARG 91 1HD ARG 91 9.709 -3.379 10.434
742 HE ARG 91 HE ARG 91 11.249 -4.454 12.052
743 1HH1 ARG 91 1HH1 ARG 91 11.732 -1.104 11.159
744 2HH1 ARG 91 2HH1 ARG 91 12.604 -0.705 12.610
745 1HH2 ARG 91 1HH2 ARG 91 12.381 -3.930 13.964
746 2HH2 ARG 91 2HH2 ARG 91 12.967 -2.317 14.202
747 H GLN 92 H GLN 92 12.470 -3.519 5.631
748 HA GLN 92 HA GLN 92 14.926 -2.772 6.977
749 1HB GLN 92 2HB GLN 92 14.578 -5.031 5.980
750 2HB GLN 92 1HB GLN 92 14.558 -4.284 4.389
751 1HG GLN 92 2HG GLN 92 16.718 -5.323 4.952
752 2HG GLN 92 1HG GLN 92 16.839 -3.598 4.610
753 1HE2 GLN 92 1HE2 GLN 92 15.609 -4.883 7.624
754 2HE2 GLN 92 2HE2 GLN 92 16.928 -4.338 8.613
755 H LEU 93 H LEU 93 12.945 -1.174 4.876
756 HA LEU 93 HA LEU 93 15.131 0.225 3.532
757 1HB LEU 93 2HB LEU 93 13.000 -0.302 2.318
758 2HB LEU 93 1HB LEU 93 12.162 0.781 3.410
759 HG LEU 93 HG LEU 93 13.533 2.664 2.575
760 1HD1 LEU 93 1HD1 LEU 93 15.507 1.385 1.913
761 2HD1 LEU 93 2HD1 LEU 93 14.903 2.372 0.582
762 3HD1 LEU 93 3HD1 LEU 93 14.588 0.636 0.607
763 1HD2 LEU 93 1HD2 LEU 93 12.446 2.849 0.404
764 2HD2 LEU 93 2HD2 LEU 93 11.335 2.174 1.595
765 3HD2 LEU 93 3HD2 LEU 93 12.104 1.119 0.410
766 H LEU 94 H LEU 94 12.934 0.512 6.186
767 HA LEU 94 HA LEU 94 13.540 3.258 6.775
768 1HB LEU 94 2HB LEU 94 12.309 1.117 8.521
769 2HB LEU 94 1HB LEU 94 12.333 2.834 8.875
770 HG LEU 94 HG LEU 94 10.908 1.578 6.531
771 1HD1 LEU 94 1HD1 LEU 94 8.858 2.039 7.741
772 2HD1 LEU 94 2HD1 LEU 94 9.784 2.656 9.110
773 3HD1 LEU 94 3HD1 LEU 94 9.894 0.953 8.667
774 1HD2 LEU 94 1HD2 LEU 94 11.626 3.868 6.106
775 2HD2 LEU 94 2HD2 LEU 94 10.854 4.395 7.601
776 3HD2 LEU 94 3HD2 LEU 94 9.874 3.771 6.273
777 H GLU 95 H GLU 95 14.767 0.112 7.604
778 HA GLU 95 HA GLU 95 16.635 1.184 9.554
779 1HB GLU 95 2HB GLU 95 15.583 -1.018 9.942
780 2HB GLU 95 1HB GLU 95 16.337 -1.629 8.477
781 1HG GLU 95 2HG GLU 95 18.518 -1.413 9.429
782 2HG GLU 95 1HG GLU 95 17.871 -0.584 10.843
783 H HIS 96 H HIS 96 18.307 2.263 8.771
784 HA HIS 96 HA HIS 96 19.234 1.714 6.073
785 1HB HIS 96 2HB HIS 96 20.042 3.877 8.025
786 2HB HIS 96 1HB HIS 96 20.589 3.760 6.354
787 HD1 HIS 96 HD1 HIS 96 18.656 3.997 4.507
788 HD2 HIS 96 HD2 HIS 96 17.664 5.167 8.370
789 HE1 HIS 96 HE1 HIS 96 16.565 5.376 4.280
790 HE2 HIS 96 HE2 HIS 96 15.893 5.930 6.648
791 H HIS 97 H HIS 97 20.414 -0.108 6.088
792 HA HIS 97 HA HIS 97 22.523 -0.442 8.057
793 1HB HIS 97 2HB HIS 97 22.850 -2.664 7.057
794 2HB HIS 97 1HB HIS 97 21.175 -2.403 7.515
795 HD1 HIS 97 HD1 HIS 97 19.449 -2.796 5.732
796 HD2 HIS 97 HD2 HIS 97 23.299 -2.533 4.188
797 HE1 HIS 97 HE1 HIS 97 19.256 -3.433 3.304
798 HE2 HIS 97 HE2 HIS 97 21.636 -3.514 2.467
799 H HIS 98 H HIS 98 24.615 -0.017 7.732
800 HA HIS 98 HA HIS 98 25.502 0.419 4.950
801 1HB HIS 98 2HB HIS 98 26.270 1.795 7.499
802 2HB HIS 98 1HB HIS 98 27.409 1.731 6.158
803 HD1 HIS 98 HD1 HIS 98 27.027 3.308 4.221
804 HD2 HIS 98 HD2 HIS 98 23.888 3.293 6.958
805 HE1 HIS 98 HE1 HIS 98 25.530 5.225 3.561
806 HE2 HIS 98 HE2 HIS 98 23.674 5.241 5.266
807 H HIS 99 H HIS 99 25.410 -1.957 6.890
808 HA HIS 99 HA HIS 99 28.049 -2.878 7.245
809 1HB HIS 99 2HB HIS 99 25.968 -3.896 8.226
810 2HB HIS 99 1HB HIS 99 25.572 -4.517 6.631
811 HD1 HIS 99 HD1 HIS 99 26.608 -6.715 5.960
812 HD2 HIS 99 HD2 HIS 99 28.289 -5.115 9.415
813 HE1 HIS 99 HE1 HIS 99 28.070 -8.526 6.910
814 HE2 HIS 99 HE2 HIS 99 28.882 -7.613 9.114
815 H HIS 100 H HIS 100 25.698 -3.373 4.672
816 HA HIS 100 HA HIS 100 27.503 -3.039 2.539
817 1HB HIS 100 2HB HIS 100 28.290 -5.288 3.151
818 2HB HIS 100 1HB HIS 100 26.640 -5.896 3.142
819 HD1 HIS 100 HD1 HIS 100 25.568 -6.378 0.839
820 HD2 HIS 100 HD2 HIS 100 29.477 -4.984 0.637
821 HE1 HIS 100 HE1 HIS 100 26.302 -6.768 -1.532
822 HE2 HIS 100 HE2 HIS 100 28.584 -5.703 -1.680
823 H HIS 101 H HIS 101 26.268 -2.955 0.540
824 HA HIS 101 HA HIS 101 23.602 -2.186 0.811
825 1HB HIS 101 2HB HIS 101 25.159 -3.120 -1.590
826 2HB HIS 101 1HB HIS 101 23.465 -2.669 -1.714
827 HD1 HIS 101 HD1 HIS 101 22.992 -0.101 -0.728
828 HD2 HIS 101 HD2 HIS 101 26.835 -1.052 -2.011
829 HE1 HIS 101 HE1 HIS 101 24.117 2.098 -1.193
830 HE2 HIS 101 HE2 HIS 101 26.352 1.489 -2.181
Start of MODEL 6
1 1H MET 1 1H MET 1 21.650 5.638 -7.931
2 2H MET 1 2H MET 1 21.557 7.146 -7.164
3 3H MET 1 3H MET 1 23.013 6.649 -7.861
4 HA MET 1 HA MET 1 22.158 6.802 -10.037
5 1HB MET 1 2HB MET 1 19.536 7.369 -8.654
6 2HB MET 1 1HB MET 1 19.808 7.690 -10.360
7 1HG MET 1 2HG MET 1 20.336 5.282 -10.661
8 2HG MET 1 1HG MET 1 19.883 5.019 -8.977
9 1HE MET 1 1HE MET 1 18.150 3.155 -9.822
10 2HE MET 1 2HE MET 1 18.583 3.482 -11.500
11 3HE MET 1 3HE MET 1 16.889 3.468 -11.015
12 H MET 2 H MET 2 22.983 8.556 -7.563
13 HA MET 2 HA MET 2 23.510 10.703 -7.107
14 1HB MET 2 2HB MET 2 23.331 10.927 -10.108
15 2HB MET 2 1HB MET 2 23.871 12.242 -9.075
16 1HG MET 2 2HG MET 2 25.165 9.553 -9.429
17 2HG MET 2 1HG MET 2 25.784 11.120 -9.952
18 1HE MET 2 1HE MET 2 28.100 10.747 -8.823
19 2HE MET 2 2HE MET 2 27.602 9.134 -8.310
20 3HE MET 2 3HE MET 2 28.323 10.249 -7.147
21 H PHE 3 H PHE 3 21.593 11.017 -5.933
22 HA PHE 3 HA PHE 3 19.507 12.474 -7.388
23 1HB PHE 3 2HB PHE 3 17.977 11.867 -5.537
24 2HB PHE 3 1HB PHE 3 18.622 10.468 -6.382
25 HD1 PHE 3 HD1 PHE 3 20.552 9.206 -5.291
26 HD2 PHE 3 HD2 PHE 3 18.169 12.067 -3.222
27 HE1 PHE 3 HE1 PHE 3 21.262 8.243 -3.143
28 HE2 PHE 3 HE2 PHE 3 18.884 11.109 -1.070
29 HZ PHE 3 HZ PHE 3 20.431 9.197 -1.028
30 H LEU 4 H LEU 4 19.705 14.559 -7.231
31 HA LEU 4 HA LEU 4 20.677 15.770 -4.752
32 1HB LEU 4 2HB LEU 4 20.033 16.991 -7.443
33 2HB LEU 4 1HB LEU 4 20.585 17.902 -6.055
34 HG LEU 4 HG LEU 4 22.474 17.637 -7.420
35 1HD1 LEU 4 1HD1 LEU 4 24.000 16.280 -6.099
36 2HD1 LEU 4 2HD1 LEU 4 22.632 15.490 -5.315
37 3HD1 LEU 4 3HD1 LEU 4 22.919 17.213 -5.066
38 1HD2 LEU 4 1HD2 LEU 4 23.241 15.499 -8.318
39 2HD2 LEU 4 2HD2 LEU 4 21.628 15.901 -8.905
40 3HD2 LEU 4 3HD2 LEU 4 21.827 14.697 -7.631
41 H ARG 5 H ARG 5 17.875 15.192 -6.619
42 HA ARG 5 HA ARG 5 16.181 16.870 -4.953
43 1HB ARG 5 2HB ARG 5 15.613 15.029 -7.280
44 2HB ARG 5 1HB ARG 5 14.351 15.861 -6.380
45 1HG ARG 5 2HG ARG 5 15.293 18.010 -7.018
46 2HG ARG 5 1HG ARG 5 16.591 17.194 -7.890
47 1HD ARG 5 2HD ARG 5 15.007 16.220 -9.424
48 2HD ARG 5 1HD ARG 5 13.658 16.883 -8.503
49 HE ARG 5 HE ARG 5 14.977 19.109 -9.135
50 1HH1 ARG 5 1HH1 ARG 5 14.210 16.330 -11.120
51 2HH1 ARG 5 2HH1 ARG 5 13.954 17.269 -12.568
52 1HH2 ARG 5 1HH2 ARG 5 14.670 20.355 -11.027
53 2HH2 ARG 5 2HH2 ARG 5 14.253 19.563 -12.521
54 H LYS 6 H LYS 6 13.931 15.295 -4.641
55 HA LYS 6 HA LYS 6 15.006 13.283 -2.788
56 1HB LYS 6 2HB LYS 6 12.880 13.534 -1.535
57 2HB LYS 6 1HB LYS 6 13.844 15.000 -1.600
58 1HG LYS 6 2HG LYS 6 12.372 15.805 -3.446
59 2HG LYS 6 1HG LYS 6 11.353 14.389 -3.177
60 1HD LYS 6 2HD LYS 6 10.438 16.303 -2.006
61 2HD LYS 6 1HD LYS 6 11.021 15.110 -0.841
62 1HE LYS 6 2HE LYS 6 13.169 16.435 -0.751
63 2HE LYS 6 1HE LYS 6 12.336 17.685 -1.675
64 1HZ LYS 6 1HZ LYS 6 10.692 17.841 0.097
65 2HZ LYS 6 2HZ LYS 6 12.254 18.159 0.673
66 3HZ LYS 6 3HZ LYS 6 11.521 16.660 0.990
67 H VAL 7 H VAL 7 14.970 11.356 -3.639
68 HA VAL 7 HA VAL 7 12.604 10.479 -5.132
69 HB VAL 7 HB VAL 7 15.188 8.942 -4.824
70 1HG1 VAL 7 1HG1 VAL 7 14.484 7.835 -6.887
71 2HG1 VAL 7 2HG1 VAL 7 13.019 8.816 -6.915
72 3HG1 VAL 7 3HG1 VAL 7 13.275 7.653 -5.616
73 1HG2 VAL 7 1HG2 VAL 7 15.698 11.140 -5.779
74 2HG2 VAL 7 2HG2 VAL 7 14.497 10.863 -7.039
75 3HG2 VAL 7 3HG2 VAL 7 15.933 9.844 -6.952
76 H GLU 8 H GLU 8 13.407 10.798 -2.172
77 HA GLU 8 HA GLU 8 12.940 8.127 -1.150
78 1HB GLU 8 2HB GLU 8 13.136 10.604 0.544
79 2HB GLU 8 1HB GLU 8 13.560 8.951 0.962
80 1HG GLU 8 2HG GLU 8 15.072 10.812 -0.860
81 2HG GLU 8 1HG GLU 8 15.564 10.245 0.734
82 H GLY 9 H GLY 9 10.829 7.757 -1.817
83 1HA GLY 9 2HA GLY 9 8.538 7.741 -1.562
84 2HA GLY 9 1HA GLY 9 8.732 8.833 -0.197
85 HA PRO 10 HA PRO 10 8.501 11.737 -3.997
86 1HB PRO 10 2HB PRO 10 8.295 10.713 -6.476
87 2HB PRO 10 1HB PRO 10 9.856 10.885 -5.663
88 1HG PRO 10 2HG PRO 10 8.147 8.454 -6.002
89 2HG PRO 10 1HG PRO 10 9.906 8.617 -6.143
90 1HD PRO 10 2HD PRO 10 8.626 7.655 -3.915
91 2HD PRO 10 1HD PRO 10 10.226 8.417 -3.889
92 H ARG 11 H ARG 11 6.836 11.686 -6.290
93 HA ARG 11 HA ARG 11 4.247 11.264 -5.008
94 1HB ARG 11 2HB ARG 11 4.962 12.726 -7.554
95 2HB ARG 11 1HB ARG 11 3.337 12.592 -6.895
96 1HG ARG 11 2HG ARG 11 5.681 13.959 -5.590
97 2HG ARG 11 1HG ARG 11 4.304 14.746 -6.362
98 1HD ARG 11 2HD ARG 11 3.821 14.827 -4.069
99 2HD ARG 11 1HD ARG 11 2.859 13.484 -4.680
100 HE ARG 11 HE ARG 11 4.742 12.036 -3.816
101 1HH1 ARG 11 1HH1 ARG 11 3.936 15.126 -2.354
102 2HH1 ARG 11 2HH1 ARG 11 4.590 14.687 -0.803
103 1HH2 ARG 11 1HH2 ARG 11 5.597 11.477 -1.783
104 2HH2 ARG 11 2HH2 ARG 11 5.539 12.629 -0.482
105 H SER 12 H SER 12 5.889 10.511 -8.052
106 HA SER 12 HA SER 12 4.055 8.234 -8.336
107 1HB SER 12 2HB SER 12 3.973 9.851 -10.220
108 2HB SER 12 1HB SER 12 5.683 9.548 -10.518
109 HG SER 12 HG SER 12 3.751 7.480 -10.484
110 H VAL 13 H VAL 13 4.856 6.234 -8.598
111 HA VAL 13 HA VAL 13 7.778 5.890 -8.459
112 HB VAL 13 HB VAL 13 7.356 3.939 -6.924
113 1HG1 VAL 13 1HG1 VAL 13 7.184 5.295 -4.917
114 2HG1 VAL 13 2HG1 VAL 13 6.537 6.638 -5.857
115 3HG1 VAL 13 3HG1 VAL 13 8.196 6.103 -6.115
116 1HG2 VAL 13 1HG2 VAL 13 4.993 3.603 -7.386
117 2HG2 VAL 13 2HG2 VAL 13 4.613 5.195 -6.728
118 3HG2 VAL 13 3HG2 VAL 13 5.231 3.927 -5.667
119 H THR 14 H THR 14 8.585 4.015 -9.457
120 HA THR 14 HA THR 14 6.672 2.609 -11.166
121 HB THR 14 HB THR 14 9.693 2.411 -11.158
122 HG1 THR 14 HG1 THR 14 8.523 4.487 -11.820
123 1HG2 THR 14 1HG2 THR 14 8.574 0.434 -12.094
124 2HG2 THR 14 2HG2 THR 14 9.396 1.359 -13.352
125 3HG2 THR 14 3HG2 THR 14 7.645 1.470 -13.176
126 H LEU 15 H LEU 15 5.681 1.070 -10.055
127 HA LEU 15 HA LEU 15 6.819 -0.415 -7.929
128 1HB LEU 15 2HB LEU 15 4.486 -1.149 -9.712
129 2HB LEU 15 1HB LEU 15 4.839 -1.837 -8.139
130 HG LEU 15 HG LEU 15 4.083 1.043 -8.634
131 1HD1 LEU 15 1HD1 LEU 15 2.466 -1.237 -7.509
132 2HD1 LEU 15 2HD1 LEU 15 2.225 -0.467 -9.077
133 3HD1 LEU 15 3HD1 LEU 15 1.957 0.448 -7.592
134 1HD2 LEU 15 1HD2 LEU 15 3.862 1.165 -6.206
135 2HD2 LEU 15 2HD2 LEU 15 5.512 0.751 -6.675
136 3HD2 LEU 15 3HD2 LEU 15 4.426 -0.499 -6.065
137 HA PRO 16 HA PRO 16 9.294 -3.352 -10.193
138 1HB PRO 16 2HB PRO 16 8.612 -5.266 -8.042
139 2HB PRO 16 1HB PRO 16 10.196 -4.673 -8.557
140 1HG PRO 16 2HG PRO 16 9.105 -3.868 -6.257
141 2HG PRO 16 1HG PRO 16 10.043 -2.756 -7.272
142 1HD PRO 16 2HD PRO 16 7.071 -2.994 -6.974
143 2HD PRO 16 1HD PRO 16 8.081 -1.538 -7.089
144 H ASP 17 H ASP 17 6.038 -3.638 -9.532
145 HA ASP 17 HA ASP 17 5.537 -6.202 -10.728
146 1HB ASP 17 2HB ASP 17 4.034 -5.248 -9.030
147 2HB ASP 17 1HB ASP 17 3.680 -3.892 -10.094
148 H GLY 18 H GLY 18 6.091 -3.012 -11.813
149 1HA GLY 18 2HA GLY 18 6.557 -2.533 -14.102
150 2HA GLY 18 1HA GLY 18 5.433 -3.804 -14.565
151 H SER 19 H SER 19 4.967 -1.187 -12.243
152 HA SER 19 HA SER 19 2.958 -0.000 -14.005
153 1HB SER 19 2HB SER 19 1.679 -1.537 -12.646
154 2HB SER 19 1HB SER 19 2.459 -0.961 -11.175
155 HG SER 19 HG SER 19 0.525 0.304 -12.792
156 H ILE 20 H ILE 20 2.997 2.173 -13.965
157 HA ILE 20 HA ILE 20 4.640 3.475 -11.934
158 HB ILE 20 HB ILE 20 4.199 5.563 -13.313
159 1HG1 ILE 20 2HG1 ILE 20 3.166 3.516 -15.291
160 2HG1 ILE 20 1HG1 ILE 20 2.202 4.762 -14.507
161 1HG2 ILE 20 1HG2 ILE 20 6.295 4.350 -13.404
162 2HG2 ILE 20 2HG2 ILE 20 5.863 4.946 -15.007
163 3HG2 ILE 20 3HG2 ILE 20 5.626 3.245 -14.607
164 1HD1 ILE 20 1HD1 ILE 20 2.759 5.372 -16.789
165 2HD1 ILE 20 2HD1 ILE 20 4.477 5.236 -16.418
166 3HD1 ILE 20 3HD1 ILE 20 3.503 6.484 -15.639
167 H MET 21 H MET 21 3.721 4.141 -10.141
168 HA MET 21 HA MET 21 0.792 4.432 -10.132
169 1HB MET 21 2HB MET 21 2.056 2.710 -8.657
170 2HB MET 21 1HB MET 21 2.510 4.100 -7.684
171 1HG MET 21 2HG MET 21 0.588 3.038 -6.722
172 2HG MET 21 1HG MET 21 0.119 4.614 -7.358
173 1HE MET 21 1HE MET 21 -2.408 3.904 -7.172
174 2HE MET 21 2HE MET 21 -1.962 2.303 -6.579
175 3HE MET 21 3HE MET 21 -3.089 2.464 -7.927
176 H THR 22 H THR 22 -0.113 6.335 -9.609
177 HA THR 22 HA THR 22 1.684 8.451 -8.630
178 HB THR 22 HB THR 22 0.474 10.095 -9.933
179 HG1 THR 22 HG1 THR 22 -1.144 7.894 -10.798
180 1HG2 THR 22 1HG2 THR 22 1.003 9.373 -12.212
181 2HG2 THR 22 2HG2 THR 22 1.157 7.709 -11.652
182 3HG2 THR 22 3HG2 THR 22 2.292 8.936 -11.090
183 H ARG 23 H ARG 23 0.276 10.347 -7.768
184 HA ARG 23 HA ARG 23 -1.176 9.408 -5.522
185 1HB ARG 23 2HB ARG 23 0.123 11.683 -6.072
186 2HB ARG 23 1HB ARG 23 -1.497 12.215 -6.488
187 1HG ARG 23 2HG ARG 23 -0.784 11.018 -3.820
188 2HG ARG 23 1HG ARG 23 -0.737 12.746 -4.160
189 1HD ARG 23 2HD ARG 23 -3.146 12.592 -4.814
190 2HD ARG 23 1HD ARG 23 -3.136 10.928 -4.231
191 HE ARG 23 HE ARG 23 -2.244 12.963 -2.353
192 1HH1 ARG 23 1HH1 ARG 23 -4.910 10.978 -3.474
193 2HH1 ARG 23 2HH1 ARG 23 -5.801 11.135 -1.991
194 1HH2 ARG 23 1HH2 ARG 23 -3.421 13.176 -0.434
195 2HH2 ARG 23 2HH2 ARG 23 -4.952 12.369 -0.263
196 H ALA 24 H ALA 24 -2.043 10.155 -8.760
197 HA ALA 24 HA ALA 24 -4.819 10.754 -8.210
198 1HB ALA 24 1HB ALA 24 -5.026 10.992 -10.620
199 2HB ALA 24 2HB ALA 24 -3.405 10.333 -10.839
200 3HB ALA 24 3HB ALA 24 -3.626 11.883 -10.025
201 H ASP 25 H ASP 25 -3.035 7.924 -8.467
202 HA ASP 25 HA ASP 25 -5.233 6.396 -9.659
203 1HB ASP 25 2HB ASP 25 -2.482 5.486 -8.796
204 2HB ASP 25 1HB ASP 25 -3.672 4.494 -9.629
205 H LEU 26 H LEU 26 -4.565 7.561 -6.736
206 HA LEU 26 HA LEU 26 -5.149 5.116 -5.242
207 1HB LEU 26 2HB LEU 26 -4.244 7.832 -4.288
208 2HB LEU 26 1HB LEU 26 -4.527 6.446 -3.253
209 HG LEU 26 HG LEU 26 -2.426 6.598 -5.419
210 1HD1 LEU 26 1HD1 LEU 26 -1.896 8.077 -3.579
211 2HD1 LEU 26 2HD1 LEU 26 -0.839 6.664 -3.544
212 3HD1 LEU 26 3HD1 LEU 26 -2.195 6.784 -2.420
213 1HD2 LEU 26 1HD2 LEU 26 -2.931 4.500 -3.311
214 2HD2 LEU 26 2HD2 LEU 26 -1.604 4.513 -4.475
215 3HD2 LEU 26 3HD2 LEU 26 -3.268 4.331 -5.033
216 HA PRO 27 HA PRO 27 -9.389 6.450 -4.445
217 1HB PRO 27 2HB PRO 27 -9.110 4.553 -2.192
218 2HB PRO 27 1HB PRO 27 -10.282 4.564 -3.512
219 1HG PRO 27 2HG PRO 27 -8.337 2.731 -3.428
220 2HG PRO 27 1HG PRO 27 -8.855 3.448 -4.962
221 1HD PRO 27 2HD PRO 27 -6.456 4.101 -3.293
222 2HD PRO 27 1HD PRO 27 -6.580 3.904 -5.056
223 HA PRO 28 HA PRO 28 -7.756 9.272 -1.253
224 1HB PRO 28 2HB PRO 28 -9.537 11.264 -1.669
225 2HB PRO 28 1HB PRO 28 -8.158 10.987 -2.734
226 1HG PRO 28 2HG PRO 28 -11.017 10.196 -3.092
227 2HG PRO 28 1HG PRO 28 -9.886 10.875 -4.277
228 1HD PRO 28 2HD PRO 28 -10.474 8.221 -4.139
229 2HD PRO 28 1HD PRO 28 -8.906 8.840 -4.697
230 H ALA 29 H ALA 29 -8.893 7.288 -0.078
231 HA ALA 29 HA ALA 29 -10.120 6.561 1.676
232 1HB ALA 29 1HB ALA 29 -11.039 8.159 3.263
233 2HB ALA 29 2HB ALA 29 -10.817 9.465 2.098
234 3HB ALA 29 3HB ALA 29 -9.413 8.637 2.770
235 H ASN 30 H ASN 30 -11.320 7.469 -1.080
236 HA ASN 30 HA ASN 30 -13.804 6.216 -0.653
237 1HB ASN 30 2HB ASN 30 -15.359 7.949 -1.008
238 2HB ASN 30 1HB ASN 30 -14.239 8.604 0.177
239 1HD2 ASN 30 1HD2 ASN 30 -12.659 10.113 -0.549
240 2HD2 ASN 30 2HD2 ASN 30 -12.980 11.102 -1.930
241 H THR 31 H THR 31 -13.687 4.968 -2.284
242 HA THR 31 HA THR 31 -13.473 6.161 -4.963
243 HB THR 31 HB THR 31 -11.683 4.518 -4.599
244 HG1 THR 31 HG1 THR 31 -12.901 4.694 -6.681
245 1HG2 THR 31 1HG2 THR 31 -13.901 2.517 -4.175
246 2HG2 THR 31 2HG2 THR 31 -12.822 3.132 -2.921
247 3HG2 THR 31 3HG2 THR 31 -12.176 2.163 -4.248
248 H ARG 32 H ARG 32 -14.952 5.128 -6.577
249 HA ARG 32 HA ARG 32 -17.584 5.053 -5.516
250 1HB ARG 32 2HB ARG 32 -16.484 4.533 -8.271
251 2HB ARG 32 1HB ARG 32 -18.201 4.427 -7.906
252 1HG ARG 32 2HG ARG 32 -16.559 6.887 -7.370
253 2HG ARG 32 1HG ARG 32 -17.413 6.603 -8.885
254 1HD ARG 32 2HD ARG 32 -18.782 7.980 -7.482
255 2HD ARG 32 1HD ARG 32 -19.524 6.388 -7.603
256 HE ARG 32 HE ARG 32 -17.878 7.121 -5.263
257 1HH1 ARG 32 1HH1 ARG 32 -20.886 5.997 -6.657
258 2HH1 ARG 32 2HH1 ARG 32 -21.631 5.654 -5.122
259 1HH2 ARG 32 1HH2 ARG 32 -18.849 6.683 -3.226
260 2HH2 ARG 32 2HH2 ARG 32 -20.487 6.096 -3.167
261 H ARG 33 H ARG 33 -15.263 2.582 -6.255
262 HA ARG 33 HA ARG 33 -16.887 0.660 -4.895
263 1HB ARG 33 2HB ARG 33 -16.847 -1.027 -6.740
264 2HB ARG 33 1HB ARG 33 -17.925 0.332 -7.013
265 1HG ARG 33 2HG ARG 33 -16.409 1.311 -8.571
266 2HG ARG 33 1HG ARG 33 -15.163 0.123 -8.179
267 1HD ARG 33 2HD ARG 33 -16.399 -0.322 -10.306
268 2HD ARG 33 1HD ARG 33 -16.432 -1.645 -9.142
269 HE ARG 33 HE ARG 33 -18.715 -0.960 -8.581
270 1HH1 ARG 33 1HH1 ARG 33 -17.344 0.245 -11.582
271 2HH1 ARG 33 2HH1 ARG 33 -18.896 0.455 -12.348
272 1HH2 ARG 33 1HH2 ARG 33 -20.755 -0.676 -9.595
273 2HH2 ARG 33 2HH2 ARG 33 -20.816 -0.058 -11.220
274 H TRP 34 H TRP 34 -15.688 -0.830 -3.910
275 HA TRP 34 HA TRP 34 -12.804 -0.564 -4.194
276 1HB TRP 34 2HB TRP 34 -14.532 -1.906 -2.116
277 2HB TRP 34 1HB TRP 34 -12.778 -2.037 -2.131
278 HD1 TRP 34 HD1 TRP 34 -15.568 0.242 -1.048
279 HE1 TRP 34 HE1 TRP 34 -14.580 2.322 0.106
280 HE3 TRP 34 HE3 TRP 34 -10.656 -0.409 -2.295
281 HZ2 TRP 34 HZ2 TRP 34 -12.030 3.530 0.426
282 HZ3 TRP 34 HZ3 TRP 34 -9.016 1.250 -1.536
283 HH2 TRP 34 HH2 TRP 34 -9.686 3.180 -0.205
284 H VAL 35 H VAL 35 -12.734 -1.691 -6.262
285 HA VAL 35 HA VAL 35 -13.309 -4.510 -6.298
286 HB VAL 35 HB VAL 35 -12.244 -4.547 -8.499
287 1HG1 VAL 35 1HG1 VAL 35 -14.103 -2.207 -8.112
288 2HG1 VAL 35 2HG1 VAL 35 -14.571 -3.891 -8.360
289 3HG1 VAL 35 3HG1 VAL 35 -13.762 -3.002 -9.651
290 1HG2 VAL 35 1HG2 VAL 35 -10.432 -3.000 -8.162
291 2HG2 VAL 35 2HG2 VAL 35 -11.561 -1.667 -7.930
292 3HG2 VAL 35 3HG2 VAL 35 -11.422 -2.445 -9.508
293 H ALA 36 H ALA 36 -11.637 -6.169 -6.654
294 HA ALA 36 HA ALA 36 -9.855 -6.215 -4.522
295 1HB ALA 36 1HB ALA 36 -10.702 -8.219 -5.662
296 2HB ALA 36 2HB ALA 36 -8.948 -8.245 -5.487
297 3HB ALA 36 3HB ALA 36 -9.675 -7.854 -7.046
298 H SER 37 H SER 37 -9.192 -5.549 -7.938
299 HA SER 37 HA SER 37 -6.420 -5.277 -7.770
300 1HB SER 37 2HB SER 37 -7.597 -5.445 -9.901
301 2HB SER 37 1HB SER 37 -8.392 -3.900 -9.610
302 HG SER 37 HG SER 37 -5.573 -4.234 -9.796
303 H ARG 38 H ARG 38 -8.987 -2.945 -7.130
304 HA ARG 38 HA ARG 38 -7.189 -0.718 -6.982
305 1HB ARG 38 2HB ARG 38 -9.744 -0.747 -7.544
306 2HB ARG 38 1HB ARG 38 -9.939 -0.665 -5.798
307 1HG ARG 38 2HG ARG 38 -8.762 1.407 -5.685
308 2HG ARG 38 1HG ARG 38 -8.292 1.291 -7.382
309 1HD ARG 38 2HD ARG 38 -10.764 1.302 -7.926
310 2HD ARG 38 1HD ARG 38 -11.035 1.749 -6.241
311 HE ARG 38 HE ARG 38 -9.502 3.701 -6.790
312 1HH1 ARG 38 1HH1 ARG 38 -11.596 2.190 -9.158
313 2HH1 ARG 38 2HH1 ARG 38 -11.772 3.640 -10.095
314 1HH2 ARG 38 1HH2 ARG 38 -9.734 5.606 -8.033
315 2HH2 ARG 38 2HH2 ARG 38 -10.716 5.569 -9.474
316 H LYS 39 H LYS 39 -8.464 -3.064 -4.747
317 HA LYS 39 HA LYS 39 -7.800 -1.724 -2.333
318 1HB LYS 39 2HB LYS 39 -7.618 -4.717 -2.707
319 2HB LYS 39 1HB LYS 39 -8.018 -3.832 -1.244
320 1HG LYS 39 2HG LYS 39 -9.757 -4.045 -3.692
321 2HG LYS 39 1HG LYS 39 -9.959 -4.961 -2.199
322 1HD LYS 39 2HD LYS 39 -9.935 -1.964 -2.177
323 2HD LYS 39 1HD LYS 39 -11.402 -2.854 -2.581
324 1HE LYS 39 2HE LYS 39 -9.819 -3.280 -0.056
325 2HE LYS 39 1HE LYS 39 -11.197 -2.190 -0.179
326 1HZ LYS 39 1HZ LYS 39 -11.713 -4.444 0.703
327 2HZ LYS 39 2HZ LYS 39 -11.345 -5.086 -0.825
328 3HZ LYS 39 3HZ LYS 39 -12.636 -3.998 -0.647
329 H ILE 40 H ILE 40 -6.093 -4.110 -4.305
330 HA ILE 40 HA ILE 40 -3.667 -4.163 -2.899
331 HB ILE 40 HB ILE 40 -4.116 -4.629 -5.855
332 1HG1 ILE 40 2HG1 ILE 40 -5.578 -6.067 -4.561
333 2HG1 ILE 40 1HG1 ILE 40 -4.258 -7.029 -5.211
334 1HG2 ILE 40 1HG2 ILE 40 -1.890 -5.578 -4.054
335 2HG2 ILE 40 2HG2 ILE 40 -1.762 -4.322 -5.286
336 3HG2 ILE 40 3HG2 ILE 40 -2.095 -5.990 -5.757
337 1HD1 ILE 40 1HD1 ILE 40 -4.757 -7.669 -2.929
338 2HD1 ILE 40 2HD1 ILE 40 -4.478 -6.013 -2.389
339 3HD1 ILE 40 3HD1 ILE 40 -3.144 -6.965 -3.038
340 H ALA 41 H ALA 41 -4.832 -2.102 -5.507
341 HA ALA 41 HA ALA 41 -2.453 -0.760 -6.102
342 1HB ALA 41 1HB ALA 41 -4.488 -0.632 -7.478
343 2HB ALA 41 2HB ALA 41 -3.834 0.959 -7.092
344 3HB ALA 41 3HB ALA 41 -5.251 0.356 -6.230
345 H VAL 42 H VAL 42 -4.862 -0.168 -3.562
346 HA VAL 42 HA VAL 42 -3.850 2.328 -2.725
347 HB VAL 42 HB VAL 42 -5.148 0.298 -0.892
348 1HG1 VAL 42 1HG1 VAL 42 -5.042 3.308 -0.802
349 2HG1 VAL 42 2HG1 VAL 42 -4.114 2.211 0.223
350 3HG1 VAL 42 3HG1 VAL 42 -5.872 2.267 0.353
351 1HG2 VAL 42 1HG2 VAL 42 -6.592 0.573 -2.800
352 2HG2 VAL 42 2HG2 VAL 42 -6.447 2.328 -2.697
353 3HG2 VAL 42 3HG2 VAL 42 -7.274 1.435 -1.421
354 H VAL 43 H VAL 43 -3.260 -0.961 -1.457
355 HA VAL 43 HA VAL 43 -1.429 -0.198 0.522
356 HB VAL 43 HB VAL 43 -0.595 -2.743 -0.406
357 1HG1 VAL 43 1HG1 VAL 43 -1.652 -3.491 1.706
358 2HG1 VAL 43 2HG1 VAL 43 -2.354 -1.882 1.884
359 3HG1 VAL 43 3HG1 VAL 43 -0.602 -2.088 1.900
360 1HG2 VAL 43 1HG2 VAL 43 -2.721 -3.975 -0.395
361 2HG2 VAL 43 2HG2 VAL 43 -2.629 -2.843 -1.745
362 3HG2 VAL 43 3HG2 VAL 43 -3.601 -2.447 -0.328
363 H ARG 44 H ARG 44 -0.742 -1.412 -2.773
364 HA ARG 44 HA ARG 44 2.062 -1.195 -2.545
365 1HB ARG 44 2HB ARG 44 0.237 -1.238 -4.948
366 2HB ARG 44 1HB ARG 44 1.986 -1.159 -5.095
367 1HG ARG 44 2HG ARG 44 2.173 -3.276 -3.860
368 2HG ARG 44 1HG ARG 44 0.414 -3.360 -3.772
369 1HD ARG 44 2HD ARG 44 0.259 -3.492 -6.183
370 2HD ARG 44 1HD ARG 44 2.001 -3.265 -6.339
371 HE ARG 44 HE ARG 44 1.698 -5.492 -4.755
372 1HH1 ARG 44 1HH1 ARG 44 0.712 -4.577 -8.003
373 2HH1 ARG 44 2HH1 ARG 44 0.722 -6.213 -8.585
374 1HH2 ARG 44 1HH2 ARG 44 1.728 -7.634 -5.545
375 2HH2 ARG 44 2HH2 ARG 44 1.315 -7.937 -7.214
376 H GLY 45 H GLY 45 -0.407 1.102 -3.553
377 1HA GLY 45 2HA GLY 45 1.403 3.041 -4.581
378 2HA GLY 45 1HA GLY 45 -0.283 3.307 -4.162
379 H VAL 46 H VAL 46 -0.204 2.675 -1.412
380 HA VAL 46 HA VAL 46 0.919 5.157 -0.488
381 HB VAL 46 HB VAL 46 -0.049 4.624 1.705
382 1HG1 VAL 46 1HG1 VAL 46 -2.394 4.672 1.030
383 2HG1 VAL 46 2HG1 VAL 46 -1.943 4.147 -0.592
384 3HG1 VAL 46 3HG1 VAL 46 -1.413 5.720 0.004
385 1HG2 VAL 46 1HG2 VAL 46 -0.964 2.049 0.423
386 2HG2 VAL 46 2HG2 VAL 46 -1.419 2.629 2.026
387 3HG2 VAL 46 3HG2 VAL 46 0.256 2.192 1.687
388 H ILE 47 H ILE 47 1.582 1.725 0.126
389 HA ILE 47 HA ILE 47 3.515 2.236 2.160
390 HB ILE 47 HB ILE 47 2.839 -0.242 0.583
391 1HG1 ILE 47 2HG1 ILE 47 2.314 0.546 3.455
392 2HG1 ILE 47 1HG1 ILE 47 1.122 0.515 2.157
393 1HG2 ILE 47 1HG2 ILE 47 5.180 -0.370 1.225
394 2HG2 ILE 47 2HG2 ILE 47 4.206 -1.513 2.153
395 3HG2 ILE 47 3HG2 ILE 47 4.752 -0.008 2.898
396 1HD1 ILE 47 1HD1 ILE 47 2.604 -1.866 3.253
397 2HD1 ILE 47 2HD1 ILE 47 1.406 -1.900 1.959
398 3HD1 ILE 47 3HD1 ILE 47 0.926 -1.434 3.592
399 H TYR 48 H TYR 48 3.783 1.124 -1.210
400 HA TYR 48 HA TYR 48 6.677 1.213 -1.017
401 1HB TYR 48 2HB TYR 48 5.360 -0.647 -2.159
402 2HB TYR 48 1HB TYR 48 5.023 0.507 -3.444
403 HD1 TYR 48 HD1 TYR 48 7.610 -1.513 -1.815
404 HD2 TYR 48 HD2 TYR 48 6.754 1.157 -5.010
405 HE1 TYR 48 HE1 TYR 48 9.746 -2.112 -2.878
406 HE2 TYR 48 HE2 TYR 48 8.888 0.568 -6.083
407 HH TYR 48 HH TYR 48 11.052 -0.336 -5.501
408 H GLY 49 H GLY 49 4.146 3.246 -1.979
409 1HA GLY 49 2HA GLY 49 5.806 4.654 -3.940
410 2HA GLY 49 1HA GLY 49 4.069 4.812 -3.768
411 H LEU 50 H LEU 50 3.706 5.480 -1.158
412 HA LEU 50 HA LEU 50 4.829 8.181 -1.342
413 1HB LEU 50 2HB LEU 50 2.290 7.262 -0.007
414 2HB LEU 50 1HB LEU 50 2.838 8.922 -0.122
415 HG LEU 50 HG LEU 50 1.969 7.151 -2.408
416 1HD1 LEU 50 1HD1 LEU 50 0.778 9.662 -1.245
417 2HD1 LEU 50 2HD1 LEU 50 0.143 8.028 -1.048
418 3HD1 LEU 50 3HD1 LEU 50 0.170 8.776 -2.645
419 1HD2 LEU 50 1HD2 LEU 50 2.324 9.063 -3.850
420 2HD2 LEU 50 2HD2 LEU 50 3.837 8.608 -3.064
421 3HD2 LEU 50 3HD2 LEU 50 2.930 10.007 -2.489
422 H ILE 51 H ILE 51 3.538 6.151 1.326
423 HA ILE 51 HA ILE 51 5.643 7.223 3.039
424 HB ILE 51 HB ILE 51 3.719 7.748 4.745
425 1HG1 ILE 51 2HG1 ILE 51 1.782 8.842 3.588
426 2HG1 ILE 51 1HG1 ILE 51 2.340 8.133 2.082
427 1HG2 ILE 51 1HG2 ILE 51 5.362 9.353 4.030
428 2HG2 ILE 51 2HG2 ILE 51 3.763 10.099 4.021
429 3HG2 ILE 51 3HG2 ILE 51 4.508 9.594 2.505
430 1HD1 ILE 51 1HD1 ILE 51 1.450 6.603 4.512
431 2HD1 ILE 51 2HD1 ILE 51 1.984 5.909 2.982
432 3HD1 ILE 51 3HD1 ILE 51 0.509 6.871 3.046
433 H THR 52 H THR 52 4.843 6.554 5.469
434 HA THR 52 HA THR 52 5.019 3.702 5.500
435 HB THR 52 HB THR 52 4.614 4.370 8.091
436 HG1 THR 52 HG1 THR 52 4.467 6.506 8.120
437 1HG2 THR 52 1HG2 THR 52 6.607 3.252 7.171
438 2HG2 THR 52 2HG2 THR 52 7.052 4.534 8.298
439 3HG2 THR 52 3HG2 THR 52 7.184 4.802 6.561
440 H LEU 53 H LEU 53 3.553 2.320 6.719
441 HA LEU 53 HA LEU 53 0.926 2.509 5.802
442 1HB LEU 53 2HB LEU 53 1.862 0.373 6.347
443 2HB LEU 53 1HB LEU 53 2.129 0.849 8.010
444 HG LEU 53 HG LEU 53 -0.283 0.889 8.410
445 1HD1 LEU 53 1HD1 LEU 53 -0.999 1.518 6.151
446 2HD1 LEU 53 2HD1 LEU 53 -1.851 0.092 6.742
447 3HD1 LEU 53 3HD1 LEU 53 -0.546 -0.084 5.568
448 1HD2 LEU 53 1HD2 LEU 53 -0.690 -1.525 8.213
449 2HD2 LEU 53 2HD2 LEU 53 0.924 -1.169 8.826
450 3HD2 LEU 53 3HD2 LEU 53 0.710 -1.663 7.146
451 H ALA 54 H ALA 54 2.381 3.683 8.754
452 HA ALA 54 HA ALA 54 0.115 4.032 10.331
453 1HB ALA 54 1HB ALA 54 2.377 4.369 11.184
454 2HB ALA 54 2HB ALA 54 1.359 5.774 11.503
455 3HB ALA 54 3HB ALA 54 2.543 5.819 10.194
456 H GLU 55 H GLU 55 1.533 6.257 7.940
457 HA GLU 55 HA GLU 55 -0.343 8.334 8.359
458 1HB GLU 55 2HB GLU 55 1.922 8.555 7.295
459 2HB GLU 55 1HB GLU 55 1.261 7.790 5.861
460 1HG GLU 55 2HG GLU 55 1.328 10.191 5.596
461 2HG GLU 55 1HG GLU 55 -0.338 9.616 5.612
462 H ALA 56 H ALA 56 -0.110 5.807 5.870
463 HA ALA 56 HA ALA 56 -2.608 6.429 4.613
464 1HB ALA 56 1HB ALA 56 -2.321 4.315 3.463
465 2HB ALA 56 2HB ALA 56 -1.043 3.849 4.584
466 3HB ALA 56 3HB ALA 56 -0.800 5.205 3.484
467 H LYS 57 H LYS 57 -1.917 4.946 7.588
468 HA LYS 57 HA LYS 57 -4.408 3.451 7.616
469 1HB LYS 57 2HB LYS 57 -2.317 2.681 8.820
470 2HB LYS 57 1HB LYS 57 -2.565 4.008 9.946
471 1HG LYS 57 2HG LYS 57 -4.713 3.075 10.594
472 2HG LYS 57 1HG LYS 57 -4.503 1.761 9.440
473 1HD LYS 57 2HD LYS 57 -2.707 2.327 11.797
474 2HD LYS 57 1HD LYS 57 -3.945 1.074 11.734
475 1HE LYS 57 2HE LYS 57 -2.750 0.072 9.800
476 2HE LYS 57 1HE LYS 57 -1.475 1.270 10.018
477 1HZ LYS 57 1HZ LYS 57 -1.025 0.387 12.202
478 2HZ LYS 57 2HZ LYS 57 -0.967 -0.875 11.070
479 3HZ LYS 57 3HZ LYS 57 -2.322 -0.704 12.070
480 H GLN 58 H GLN 58 -3.005 6.365 9.038
481 HA GLN 58 HA GLN 58 -5.317 7.180 10.457
482 1HB GLN 58 2HB GLN 58 -3.106 8.893 9.301
483 2HB GLN 58 1HB GLN 58 -4.256 9.388 10.535
484 1HG GLN 58 2HG GLN 58 -2.242 7.178 10.845
485 2HG GLN 58 1HG GLN 58 -2.034 8.825 11.430
486 1HE2 GLN 58 1HE2 GLN 58 -2.108 6.270 12.850
487 2HE2 GLN 58 2HE2 GLN 58 -3.346 6.433 14.041
488 H THR 59 H THR 59 -4.344 7.386 7.144
489 HA THR 59 HA THR 59 -6.529 9.235 6.520
490 HB THR 59 HB THR 59 -4.385 8.205 4.655
491 HG1 THR 59 HG1 THR 59 -3.343 9.390 6.233
492 1HG2 THR 59 1HG2 THR 59 -6.368 9.099 3.532
493 2HG2 THR 59 2HG2 THR 59 -4.985 10.169 3.314
494 3HG2 THR 59 3HG2 THR 59 -6.244 10.583 4.477
495 H TYR 60 H TYR 60 -5.186 6.210 5.121
496 HA TYR 60 HA TYR 60 -7.829 5.715 3.977
497 1HB TYR 60 2HB TYR 60 -5.282 4.374 3.125
498 2HB TYR 60 1HB TYR 60 -6.812 4.420 2.268
499 HD1 TYR 60 HD1 TYR 60 -7.604 6.633 1.326
500 HD2 TYR 60 HD2 TYR 60 -3.641 6.021 2.739
501 HE1 TYR 60 HE1 TYR 60 -6.850 8.584 0.038
502 HE2 TYR 60 HE2 TYR 60 -2.876 7.975 1.456
503 HH TYR 60 HH TYR 60 -3.559 9.290 -0.478
504 H GLY 61 H GLY 61 -6.754 4.963 6.737
505 1HA GLY 61 2HA GLY 61 -5.882 2.296 6.717
506 2HA GLY 61 1HA GLY 61 -6.433 3.182 8.122
507 H LEU 62 H LEU 62 -9.102 3.537 6.616
508 HA LEU 62 HA LEU 62 -11.173 2.599 6.832
509 1HB LEU 62 2HB LEU 62 -10.153 -0.163 6.411
510 2HB LEU 62 1HB LEU 62 -11.515 0.651 5.667
511 HG LEU 62 HG LEU 62 -9.066 1.868 4.781
512 1HD1 LEU 62 1HD1 LEU 62 -8.113 -0.018 3.576
513 2HD1 LEU 62 2HD1 LEU 62 -9.269 -1.106 4.346
514 3HD1 LEU 62 3HD1 LEU 62 -8.050 -0.282 5.318
515 1HD2 LEU 62 1HD2 LEU 62 -9.952 1.397 2.603
516 2HD2 LEU 62 2HD2 LEU 62 -11.274 1.921 3.650
517 3HD2 LEU 62 3HD2 LEU 62 -11.074 0.208 3.270
518 H SER 63 H SER 63 -10.028 -0.507 7.720
519 HA SER 63 HA SER 63 -9.963 0.172 10.572
520 1HB SER 63 2HB SER 63 -11.130 -2.356 9.361
521 2HB SER 63 1HB SER 63 -10.942 -2.041 11.087
522 HG SER 63 HG SER 63 -12.603 -0.661 9.233
523 H ASP 64 H ASP 64 -8.283 -0.839 11.710
524 HA ASP 64 HA ASP 64 -5.916 -1.240 10.357
525 1HB ASP 64 2HB ASP 64 -6.053 -0.845 12.790
526 2HB ASP 64 1HB ASP 64 -6.671 -2.480 13.014
527 H GLU 65 H GLU 65 -8.117 -3.745 11.560
528 HA GLU 65 HA GLU 65 -6.678 -5.980 10.717
529 1HB GLU 65 2HB GLU 65 -8.759 -5.838 12.212
530 2HB GLU 65 1HB GLU 65 -9.686 -5.826 10.719
531 1HG GLU 65 2HG GLU 65 -9.645 -8.053 11.561
532 2HG GLU 65 1HG GLU 65 -8.630 -7.995 10.119
533 H GLU 66 H GLU 66 -8.977 -3.947 8.987
534 HA GLU 66 HA GLU 66 -9.267 -5.683 6.758
535 1HB GLU 66 2HB GLU 66 -10.918 -3.918 7.413
536 2HB GLU 66 1HB GLU 66 -9.772 -2.706 6.864
537 1HG GLU 66 2HG GLU 66 -9.935 -3.430 4.622
538 2HG GLU 66 1HG GLU 66 -10.824 -4.876 5.082
539 H PHE 67 H PHE 67 -7.373 -2.725 7.301
540 HA PHE 67 HA PHE 67 -6.263 -2.648 4.702
541 1HB PHE 67 2HB PHE 67 -6.361 -0.796 6.543
542 2HB PHE 67 1HB PHE 67 -4.842 -1.501 7.090
543 HD1 PHE 67 HD1 PHE 67 -6.222 0.983 5.112
544 HD2 PHE 67 HD2 PHE 67 -3.112 -1.918 5.067
545 HE1 PHE 67 HE1 PHE 67 -5.027 2.295 3.411
546 HE2 PHE 67 HE2 PHE 67 -1.909 -0.607 3.368
547 HZ PHE 67 HZ PHE 67 -2.869 1.504 2.537
548 H ASN 68 H ASN 68 -5.139 -4.038 7.778
549 HA ASN 68 HA ASN 68 -2.600 -4.784 6.710
550 1HB ASN 68 2HB ASN 68 -2.147 -5.869 8.776
551 2HB ASN 68 1HB ASN 68 -3.044 -4.412 9.160
552 1HD2 ASN 68 1HD2 ASN 68 -3.817 -5.060 11.104
553 2HD2 ASN 68 2HD2 ASN 68 -4.934 -6.358 11.313
554 H SER 69 H SER 69 -5.732 -6.158 6.544
555 HA SER 69 HA SER 69 -4.955 -8.826 5.955
556 1HB SER 69 2HB SER 69 -7.461 -7.266 5.317
557 2HB SER 69 1HB SER 69 -7.244 -8.959 4.867
558 HG SER 69 HG SER 69 -7.187 -7.857 7.489
559 H TRP 70 H TRP 70 -5.197 -5.890 4.053
560 HA TRP 70 HA TRP 70 -4.909 -7.106 1.505
561 1HB TRP 70 2HB TRP 70 -3.961 -4.375 2.408
562 2HB TRP 70 1HB TRP 70 -4.120 -4.905 0.742
563 HD1 TRP 70 HD1 TRP 70 -7.128 -6.283 1.973
564 HE1 TRP 70 HE1 TRP 70 -9.115 -4.652 1.831
565 HE3 TRP 70 HE3 TRP 70 -4.545 -1.926 1.328
566 HZ2 TRP 70 HZ2 TRP 70 -9.525 -1.881 1.476
567 HZ3 TRP 70 HZ3 TRP 70 -5.805 0.171 1.090
568 HH2 TRP 70 HH2 TRP 70 -8.246 0.194 1.162
569 H VAL 71 H VAL 71 -2.623 -5.791 3.849
570 HA VAL 71 HA VAL 71 -0.265 -6.396 2.416
571 HB VAL 71 HB VAL 71 -0.525 -6.225 5.418
572 1HG1 VAL 71 1HG1 VAL 71 1.777 -5.643 3.565
573 2HG1 VAL 71 2HG1 VAL 71 1.632 -7.016 4.661
574 3HG1 VAL 71 3HG1 VAL 71 1.780 -5.383 5.310
575 1HG2 VAL 71 1HG2 VAL 71 -0.111 -3.822 5.210
576 2HG2 VAL 71 2HG2 VAL 71 -1.624 -4.294 4.436
577 3HG2 VAL 71 3HG2 VAL 71 -0.198 -3.962 3.454
578 H SER 72 H SER 72 -2.308 -8.224 4.589
579 HA SER 72 HA SER 72 -0.553 -10.397 5.025
580 1HB SER 72 2HB SER 72 -2.582 -9.919 6.396
581 2HB SER 72 1HB SER 72 -3.582 -10.410 5.033
582 HG SER 72 HG SER 72 -2.075 -11.944 6.794
583 H ALA 73 H ALA 73 -2.842 -9.628 2.466
584 HA ALA 73 HA ALA 73 -2.594 -12.206 1.194
585 1HB ALA 73 1HB ALA 73 -4.659 -10.935 0.982
586 2HB ALA 73 2HB ALA 73 -3.930 -11.192 -0.603
587 3HB ALA 73 3HB ALA 73 -3.789 -9.622 0.187
588 H LEU 74 H LEU 74 -1.069 -9.102 1.034
589 HA LEU 74 HA LEU 74 0.398 -9.742 -1.398
590 1HB LEU 74 2HB LEU 74 0.443 -7.332 0.420
591 2HB LEU 74 1HB LEU 74 1.393 -7.486 -1.047
592 HG LEU 74 HG LEU 74 -1.621 -7.521 -0.945
593 1HD1 LEU 74 1HD1 LEU 74 0.277 -5.343 -1.785
594 2HD1 LEU 74 2HD1 LEU 74 -0.700 -5.356 -0.317
595 3HD1 LEU 74 3HD1 LEU 74 -1.484 -5.291 -1.897
596 1HD2 LEU 74 1HD2 LEU 74 0.303 -7.403 -3.264
597 2HD2 LEU 74 2HD2 LEU 74 -1.452 -7.275 -3.376
598 3HD2 LEU 74 3HD2 LEU 74 -0.709 -8.778 -2.824
599 H ALA 75 H ALA 75 0.669 -10.460 1.785
600 HA ALA 75 HA ALA 75 3.356 -10.114 2.437
601 1HB ALA 75 1HB ALA 75 3.048 -11.842 4.075
602 2HB ALA 75 2HB ALA 75 1.655 -12.488 3.207
603 3HB ALA 75 3HB ALA 75 1.556 -10.906 3.990
604 H GLU 76 H GLU 76 1.689 -12.771 0.854
605 HA GLU 76 HA GLU 76 2.359 -14.534 -0.376
606 1HB GLU 76 2HB GLU 76 4.536 -12.592 -1.162
607 2HB GLU 76 1HB GLU 76 4.145 -14.074 -2.030
608 1HG GLU 76 2HG GLU 76 1.807 -13.157 -2.286
609 2HG GLU 76 1HG GLU 76 2.434 -11.627 -1.682
610 H HIS 77 H HIS 77 3.454 -14.153 2.379
611 HA HIS 77 HA HIS 77 5.994 -15.455 2.478
612 1HB HIS 77 2HB HIS 77 3.789 -15.092 4.517
613 2HB HIS 77 1HB HIS 77 5.244 -16.009 4.875
614 HD1 HIS 77 HD1 HIS 77 6.316 -14.518 6.553
615 HD2 HIS 77 HD2 HIS 77 5.187 -12.467 3.117
616 HE1 HIS 77 HE1 HIS 77 7.279 -12.212 6.787
617 HE2 HIS 77 HE2 HIS 77 6.307 -10.929 4.862
618 H GLY 78 H GLY 78 2.739 -16.398 2.048
619 1HA GLY 78 2HA GLY 78 2.975 -19.147 2.693
620 2HA GLY 78 1HA GLY 78 1.721 -18.410 1.704
621 H LYS 79 H LYS 79 4.192 -17.325 0.105
622 HA LYS 79 HA LYS 79 4.325 -19.626 -1.702
623 1HB LYS 79 2HB LYS 79 5.150 -16.743 -2.098
624 2HB LYS 79 1HB LYS 79 5.263 -17.999 -3.320
625 1HG LYS 79 2HG LYS 79 2.934 -18.146 -3.542
626 2HG LYS 79 1HG LYS 79 2.656 -17.257 -2.040
627 1HD LYS 79 2HD LYS 79 2.225 -15.821 -3.952
628 2HD LYS 79 1HD LYS 79 3.638 -15.252 -3.064
629 1HE LYS 79 2HE LYS 79 4.979 -16.667 -4.767
630 2HE LYS 79 1HE LYS 79 3.500 -16.615 -5.729
631 1HZ LYS 79 1HZ LYS 79 5.223 -14.367 -4.882
632 2HZ LYS 79 2HZ LYS 79 3.628 -14.104 -5.380
633 3HZ LYS 79 3HZ LYS 79 4.748 -14.793 -6.455
634 H ASP 80 H ASP 80 6.605 -17.042 -0.941
635 HA ASP 80 HA ASP 80 8.694 -19.040 -0.430
636 1HB ASP 80 2HB ASP 80 10.284 -17.687 -1.750
637 2HB ASP 80 1HB ASP 80 8.963 -18.304 -2.732
638 H ALA 81 H ALA 81 7.475 -15.798 0.035
639 HA ALA 81 HA ALA 81 7.475 -14.484 1.891
640 1HB ALA 81 1HB ALA 81 7.488 -16.528 3.250
641 2HB ALA 81 2HB ALA 81 8.413 -15.227 3.998
642 3HB ALA 81 3HB ALA 81 9.250 -16.551 3.187
643 H LEU 82 H LEU 82 10.008 -15.069 -0.057
644 HA LEU 82 HA LEU 82 11.687 -13.026 1.247
645 1HB LEU 82 2HB LEU 82 12.543 -15.244 -0.620
646 2HB LEU 82 1HB LEU 82 13.600 -14.009 0.031
647 HG LEU 82 HG LEU 82 12.154 -16.094 1.668
648 1HD1 LEU 82 1HD1 LEU 82 15.054 -15.874 0.876
649 2HD1 LEU 82 2HD1 LEU 82 13.903 -17.088 0.312
650 3HD1 LEU 82 3HD1 LEU 82 14.383 -17.050 2.009
651 1HD2 LEU 82 1HD2 LEU 82 14.224 -14.053 2.470
652 2HD2 LEU 82 2HD2 LEU 82 13.532 -15.296 3.513
653 3HD2 LEU 82 3HD2 LEU 82 12.511 -14.001 2.883
654 H LYS 83 H LYS 83 12.756 -11.529 -0.183
655 HA LYS 83 HA LYS 83 12.967 -10.145 -1.962
656 1HB LYS 83 2HB LYS 83 13.485 -12.127 -3.253
657 2HB LYS 83 1HB LYS 83 11.779 -12.476 -3.478
658 1HG LYS 83 2HG LYS 83 11.520 -10.531 -4.873
659 2HG LYS 83 1HG LYS 83 13.187 -10.046 -4.562
660 1HD LYS 83 2HD LYS 83 12.441 -12.668 -5.846
661 2HD LYS 83 1HD LYS 83 12.776 -11.200 -6.768
662 1HE LYS 83 2HE LYS 83 14.686 -12.508 -4.832
663 2HE LYS 83 1HE LYS 83 14.739 -12.695 -6.585
664 1HZ LYS 83 1HZ LYS 83 16.304 -11.028 -5.883
665 2HZ LYS 83 2HZ LYS 83 15.092 -10.156 -5.084
666 3HZ LYS 83 3HZ LYS 83 15.064 -10.290 -6.774
667 H VAL 84 H VAL 84 10.018 -11.047 -0.753
668 HA VAL 84 HA VAL 84 8.155 -9.837 -2.450
669 HB VAL 84 HB VAL 84 8.023 -9.867 0.572
670 1HG1 VAL 84 1HG1 VAL 84 5.602 -9.862 0.226
671 2HG1 VAL 84 2HG1 VAL 84 5.850 -9.768 -1.518
672 3HG1 VAL 84 3HG1 VAL 84 6.357 -8.433 -0.481
673 1HG2 VAL 84 1HG2 VAL 84 6.858 -12.004 0.358
674 2HG2 VAL 84 2HG2 VAL 84 8.492 -12.109 -0.300
675 3HG2 VAL 84 3HG2 VAL 84 7.111 -11.975 -1.389
676 H THR 85 H THR 85 8.327 -7.869 -3.226
677 HA THR 85 HA THR 85 10.098 -5.941 -2.334
678 HB THR 85 HB THR 85 8.805 -4.382 -3.856
679 HG1 THR 85 HG1 THR 85 7.360 -6.714 -4.599
680 1HG2 THR 85 1HG2 THR 85 9.621 -7.082 -4.942
681 2HG2 THR 85 2HG2 THR 85 10.695 -5.716 -4.644
682 3HG2 THR 85 3HG2 THR 85 9.451 -5.603 -5.889
683 H ALA 86 H ALA 86 6.538 -5.636 -2.181
684 HA ALA 86 HA ALA 86 6.452 -3.260 -0.760
685 1HB ALA 86 1HB ALA 86 4.521 -4.251 -1.877
686 2HB ALA 86 2HB ALA 86 4.161 -3.831 -0.203
687 3HB ALA 86 3HB ALA 86 4.456 -5.512 -0.646
688 H LEU 87 H LEU 87 6.921 -6.507 0.461
689 HA LEU 87 HA LEU 87 6.284 -5.739 3.177
690 1HB LEU 87 2HB LEU 87 5.934 -8.051 1.928
691 2HB LEU 87 1HB LEU 87 7.565 -8.345 2.489
692 HG LEU 87 HG LEU 87 5.894 -9.310 3.995
693 1HD1 LEU 87 1HD1 LEU 87 8.031 -8.586 4.929
694 2HD1 LEU 87 2HD1 LEU 87 6.720 -8.391 6.091
695 3HD1 LEU 87 3HD1 LEU 87 7.355 -6.985 5.236
696 1HD2 LEU 87 1HD2 LEU 87 4.443 -7.862 5.323
697 2HD2 LEU 87 2HD2 LEU 87 4.083 -7.738 3.600
698 3HD2 LEU 87 3HD2 LEU 87 5.000 -6.464 4.405
699 H LYS 88 H LYS 88 9.109 -6.924 1.393
700 HA LYS 88 HA LYS 88 10.910 -6.711 3.547
701 1HB LYS 88 2HB LYS 88 11.306 -8.047 1.474
702 2HB LYS 88 1HB LYS 88 11.554 -6.542 0.598
703 1HG LYS 88 2HG LYS 88 13.456 -6.017 2.045
704 2HG LYS 88 1HG LYS 88 13.215 -7.540 2.901
705 1HD LYS 88 2HD LYS 88 13.535 -8.723 0.723
706 2HD LYS 88 1HD LYS 88 13.962 -7.168 0.005
707 1HE LYS 88 2HE LYS 88 15.380 -8.492 2.316
708 2HE LYS 88 1HE LYS 88 15.943 -8.471 0.646
709 1HZ LYS 88 1HZ LYS 88 16.976 -6.782 2.131
710 2HZ LYS 88 2HZ LYS 88 15.473 -6.011 2.233
711 3HZ LYS 88 3HZ LYS 88 16.255 -6.140 0.735
712 H LYS 89 H LYS 89 9.847 -4.443 1.072
713 HA LYS 89 HA LYS 89 11.863 -2.497 1.690
714 1HB LYS 89 2HB LYS 89 9.369 -2.444 0.030
715 2HB LYS 89 1HB LYS 89 10.244 -0.958 0.379
716 1HG LYS 89 2HG LYS 89 11.465 -3.385 -0.919
717 2HG LYS 89 1HG LYS 89 10.841 -1.985 -1.796
718 1HD LYS 89 2HD LYS 89 12.449 -0.549 -0.599
719 2HD LYS 89 1HD LYS 89 13.082 -1.972 0.229
720 1HE LYS 89 2HE LYS 89 14.494 -1.330 -1.660
721 2HE LYS 89 1HE LYS 89 13.782 -2.924 -1.897
722 1HZ LYS 89 1HZ LYS 89 12.583 -0.468 -3.042
723 2HZ LYS 89 2HZ LYS 89 12.277 -2.084 -3.467
724 3HZ LYS 89 3HZ LYS 89 13.760 -1.370 -3.863
725 H TYR 90 H TYR 90 8.537 -3.052 2.762
726 HA TYR 90 HA TYR 90 8.317 -0.582 4.131
727 1HB TYR 90 2HB TYR 90 6.349 -2.006 3.603
728 2HB TYR 90 1HB TYR 90 6.905 -3.176 4.793
729 HD1 TYR 90 HD1 TYR 90 6.446 0.528 4.693
730 HD2 TYR 90 HD2 TYR 90 5.704 -3.107 6.765
731 HE1 TYR 90 HE1 TYR 90 5.272 1.779 6.449
732 HE2 TYR 90 HE2 TYR 90 4.531 -1.866 8.534
733 HH TYR 90 HH TYR 90 4.343 0.326 9.441
734 H ARG 91 H ARG 91 9.590 -3.749 5.028
735 HA ARG 91 HA ARG 91 10.052 -2.926 7.756
736 1HB ARG 91 2HB ARG 91 11.150 -5.345 6.318
737 2HB ARG 91 1HB ARG 91 11.124 -5.079 8.057
738 1HG ARG 91 2HG ARG 91 8.548 -4.894 7.706
739 2HG ARG 91 1HG ARG 91 8.889 -5.768 6.210
740 1HD ARG 91 2HD ARG 91 8.432 -7.458 7.751
741 2HD ARG 91 1HD ARG 91 10.195 -7.400 7.702
742 HE ARG 91 HE ARG 91 8.596 -6.092 9.815
743 1HH1 ARG 91 1HH1 ARG 91 11.392 -7.935 8.773
744 2HH1 ARG 91 2HH1 ARG 91 12.017 -8.136 10.386
745 1HH2 ARG 91 1HH2 ARG 91 9.418 -6.362 11.936
746 2HH2 ARG 91 2HH2 ARG 91 10.872 -7.288 12.180
747 H GLN 92 H GLN 92 11.852 -3.083 4.767
748 HA GLN 92 HA GLN 92 14.434 -2.598 5.829
749 1HB GLN 92 2HB GLN 92 13.806 -3.373 3.472
750 2HB GLN 92 1HB GLN 92 13.449 -1.688 3.126
751 1HG GLN 92 2HG GLN 92 15.613 -2.041 2.328
752 2HG GLN 92 1HG GLN 92 15.820 -1.187 3.860
753 1HE2 GLN 92 1HE2 GLN 92 16.722 -2.254 5.605
754 2HE2 GLN 92 2HE2 GLN 92 17.527 -3.775 5.446
755 H LEU 93 H LEU 93 11.760 -0.551 4.898
756 HA LEU 93 HA LEU 93 13.255 1.886 5.417
757 1HB LEU 93 2HB LEU 93 11.719 1.809 3.524
758 2HB LEU 93 1HB LEU 93 10.389 1.411 4.591
759 HG LEU 93 HG LEU 93 10.650 3.637 5.678
760 1HD1 LEU 93 1HD1 LEU 93 12.614 4.124 3.448
761 2HD1 LEU 93 2HD1 LEU 93 13.005 3.997 5.163
762 3HD1 LEU 93 3HD1 LEU 93 12.010 5.333 4.584
763 1HD2 LEU 93 1HD2 LEU 93 10.232 3.711 2.691
764 2HD2 LEU 93 2HD2 LEU 93 9.679 4.922 3.849
765 3HD2 LEU 93 3HD2 LEU 93 9.012 3.290 3.895
766 H LEU 94 H LEU 94 11.203 -0.302 7.056
767 HA LEU 94 HA LEU 94 10.079 1.363 9.029
768 1HB LEU 94 2HB LEU 94 9.870 -1.264 8.427
769 2HB LEU 94 1HB LEU 94 10.942 -1.364 9.810
770 HG LEU 94 HG LEU 94 9.261 -0.108 11.145
771 1HD1 LEU 94 1HD1 LEU 94 6.995 0.105 10.255
772 2HD1 LEU 94 2HD1 LEU 94 7.549 -0.497 8.690
773 3HD1 LEU 94 3HD1 LEU 94 8.147 1.045 9.308
774 1HD2 LEU 94 1HD2 LEU 94 9.373 -2.552 11.213
775 2HD2 LEU 94 2HD2 LEU 94 8.259 -2.641 9.849
776 3HD2 LEU 94 3HD2 LEU 94 7.715 -1.977 11.390
777 H GLU 95 H GLU 95 13.088 -0.465 8.871
778 HA GLU 95 HA GLU 95 14.216 1.040 11.092
779 1HB GLU 95 2HB GLU 95 14.748 -1.469 10.018
780 2HB GLU 95 1HB GLU 95 16.068 -0.486 9.404
781 1HG GLU 95 2HG GLU 95 15.312 -0.697 12.309
782 2HG GLU 95 1HG GLU 95 16.570 -1.651 11.535
783 H HIS 96 H HIS 96 15.919 2.608 10.731
784 HA HIS 96 HA HIS 96 15.330 4.038 8.292
785 1HB HIS 96 2HB HIS 96 16.887 4.774 10.753
786 2HB HIS 96 1HB HIS 96 16.886 5.794 9.315
787 HD1 HIS 96 HD1 HIS 96 14.644 6.954 8.672
788 HD2 HIS 96 HD2 HIS 96 14.505 4.789 12.223
789 HE1 HIS 96 HE1 HIS 96 12.491 7.616 9.789
790 HE2 HIS 96 HE2 HIS 96 12.327 6.128 11.813
791 H HIS 97 H HIS 97 16.256 2.364 6.958
792 HA HIS 97 HA HIS 97 18.998 3.158 6.260
793 1HB HIS 97 2HB HIS 97 17.946 0.327 6.383
794 2HB HIS 97 1HB HIS 97 19.390 0.775 5.483
795 HD1 HIS 97 HD1 HIS 97 18.712 -0.869 8.392
796 HD2 HIS 97 HD2 HIS 97 21.031 2.493 7.601
797 HE1 HIS 97 HE1 HIS 97 20.351 -0.707 10.296
798 HE2 HIS 97 HE2 HIS 97 21.616 1.431 9.883
799 H HIS 98 H HIS 98 18.126 4.505 4.671
800 HA HIS 98 HA HIS 98 16.372 3.265 2.679
801 1HB HIS 98 2HB HIS 98 15.878 5.517 1.896
802 2HB HIS 98 1HB HIS 98 15.636 5.418 3.632
803 HD1 HIS 98 HD1 HIS 98 16.978 7.586 1.175
804 HD2 HIS 98 HD2 HIS 98 18.118 6.493 5.027
805 HE1 HIS 98 HE1 HIS 98 18.518 9.408 1.976
806 HE2 HIS 98 HE2 HIS 98 19.015 8.837 4.381
807 H HIS 99 H HIS 99 18.931 2.325 2.656
808 HA HIS 99 HA HIS 99 20.545 3.756 0.747
809 1HB HIS 99 2HB HIS 99 21.489 2.372 2.619
810 2HB HIS 99 1HB HIS 99 20.904 0.938 1.792
811 HD1 HIS 99 HD1 HIS 99 23.829 1.052 2.347
812 HD2 HIS 99 HD2 HIS 99 22.170 2.647 -1.125
813 HE1 HIS 99 HE1 HIS 99 25.696 1.119 0.661
814 HE2 HIS 99 HE2 HIS 99 24.646 1.954 -1.467
815 H HIS 100 H HIS 100 18.971 3.847 -0.963
816 HA HIS 100 HA HIS 100 18.588 1.341 -2.424
817 1HB HIS 100 2HB HIS 100 17.119 2.622 -3.914
818 2HB HIS 100 1HB HIS 100 16.623 2.796 -2.237
819 HD1 HIS 100 HD1 HIS 100 18.213 4.737 -5.071
820 HD2 HIS 100 HD2 HIS 100 16.648 5.379 -1.262
821 HE1 HIS 100 HE1 HIS 100 18.004 7.235 -4.822
822 HE2 HIS 100 HE2 HIS 100 16.850 7.582 -2.600
823 H HIS 101 H HIS 101 18.816 1.695 -4.929
824 HA HIS 101 HA HIS 101 21.564 2.577 -5.325
825 1HB HIS 101 2HB HIS 101 20.670 0.350 -6.176
826 2HB HIS 101 1HB HIS 101 19.763 1.274 -7.369
827 HD1 HIS 101 HD1 HIS 101 20.974 0.772 -9.507
828 HD2 HIS 101 HD2 HIS 101 23.561 1.782 -6.403
829 HE1 HIS 101 HE1 HIS 101 23.266 0.942 -10.544
830 HE2 HIS 101 HE2 HIS 101 24.811 1.558 -8.650
Start of MODEL 7
1 1H MET 1 1H MET 1 10.035 17.867 -4.295
2 2H MET 1 2H MET 1 9.569 19.205 -5.230
3 3H MET 1 3H MET 1 9.493 19.283 -3.538
4 HA MET 1 HA MET 1 11.974 18.995 -5.128
5 1HB MET 1 2HB MET 1 10.771 21.256 -5.186
6 2HB MET 1 1HB MET 1 11.089 21.363 -3.460
7 1HG MET 1 2HG MET 1 13.493 21.229 -3.905
8 2HG MET 1 1HG MET 1 13.159 21.145 -5.634
9 1HE MET 1 1HE MET 1 15.153 23.287 -4.400
10 2HE MET 1 2HE MET 1 14.670 24.714 -5.313
11 3HE MET 1 3HE MET 1 14.763 23.145 -6.115
12 H MET 2 H MET 2 13.856 19.642 -3.586
13 HA MET 2 HA MET 2 15.128 19.229 -1.759
14 1HB MET 2 2HB MET 2 12.472 18.930 -0.353
15 2HB MET 2 1HB MET 2 14.025 18.822 0.464
16 1HG MET 2 2HG MET 2 14.541 21.107 -0.169
17 2HG MET 2 1HG MET 2 13.020 21.223 -1.052
18 1HE MET 2 1HE MET 2 12.564 23.491 0.357
19 2HE MET 2 2HE MET 2 14.063 23.251 1.256
20 3HE MET 2 3HE MET 2 12.551 23.541 2.118
21 H PHE 3 H PHE 3 16.208 17.446 -2.302
22 HA PHE 3 HA PHE 3 15.059 14.880 -1.510
23 1HB PHE 3 2HB PHE 3 16.018 13.853 -3.613
24 2HB PHE 3 1HB PHE 3 14.605 14.875 -3.841
25 HD1 PHE 3 HD1 PHE 3 14.831 17.086 -4.883
26 HD2 PHE 3 HD2 PHE 3 18.135 14.428 -4.534
27 HE1 PHE 3 HE1 PHE 3 16.051 18.386 -6.576
28 HE2 PHE 3 HE2 PHE 3 19.365 15.729 -6.220
29 HZ PHE 3 HZ PHE 3 18.323 17.712 -7.244
30 H LEU 4 H LEU 4 16.410 13.610 -0.451
31 HA LEU 4 HA LEU 4 19.245 14.362 -0.379
32 1HB LEU 4 2HB LEU 4 17.544 12.783 1.549
33 2HB LEU 4 1HB LEU 4 19.287 12.873 1.677
34 HG LEU 4 HG LEU 4 18.972 15.420 1.809
35 1HD1 LEU 4 1HD1 LEU 4 16.160 14.540 2.451
36 2HD1 LEU 4 2HD1 LEU 4 16.661 15.514 1.070
37 3HD1 LEU 4 3HD1 LEU 4 16.817 16.158 2.704
38 1HD2 LEU 4 1HD2 LEU 4 18.576 15.308 4.214
39 2HD2 LEU 4 2HD2 LEU 4 19.658 14.021 3.684
40 3HD2 LEU 4 3HD2 LEU 4 17.970 13.661 4.044
41 H ARG 5 H ARG 5 17.463 12.469 -2.174
42 HA ARG 5 HA ARG 5 19.614 10.621 -2.632
43 1HB ARG 5 2HB ARG 5 18.180 8.594 -2.526
44 2HB ARG 5 1HB ARG 5 18.443 9.352 -0.966
45 1HG ARG 5 2HG ARG 5 16.201 10.398 -1.141
46 2HG ARG 5 1HG ARG 5 15.948 9.512 -2.646
47 1HD ARG 5 2HD ARG 5 14.916 8.165 -1.055
48 2HD ARG 5 1HD ARG 5 16.500 7.417 -1.261
49 HE ARG 5 HE ARG 5 15.898 9.257 0.974
50 1HH1 ARG 5 1HH1 ARG 5 17.279 6.277 -0.265
51 2HH1 ARG 5 2HH1 ARG 5 17.768 5.708 1.308
52 1HH2 ARG 5 1HH2 ARG 5 16.576 8.524 3.021
53 2HH2 ARG 5 2HH2 ARG 5 17.380 6.997 3.166
54 H LYS 6 H LYS 6 16.157 10.869 -3.517
55 HA LYS 6 HA LYS 6 16.605 11.872 -6.098
56 1HB LYS 6 2HB LYS 6 17.522 9.425 -6.215
57 2HB LYS 6 1HB LYS 6 15.829 8.963 -6.194
58 1HG LYS 6 2HG LYS 6 17.063 10.801 -8.238
59 2HG LYS 6 1HG LYS 6 16.832 9.070 -8.461
60 1HD LYS 6 2HD LYS 6 14.414 9.360 -8.223
61 2HD LYS 6 1HD LYS 6 14.643 11.090 -7.976
62 1HE LYS 6 2HE LYS 6 15.680 11.222 -10.226
63 2HE LYS 6 1HE LYS 6 15.291 9.518 -10.464
64 1HZ LYS 6 1HZ LYS 6 13.313 11.679 -9.950
65 2HZ LYS 6 2HZ LYS 6 12.949 10.044 -10.235
66 3HZ LYS 6 3HZ LYS 6 13.639 10.987 -11.461
67 H VAL 7 H VAL 7 14.854 13.144 -5.592
68 HA VAL 7 HA VAL 7 12.307 12.113 -6.175
69 HB VAL 7 HB VAL 7 12.316 11.168 -3.972
70 1HG1 VAL 7 1HG1 VAL 7 12.546 12.515 -1.937
71 2HG1 VAL 7 2HG1 VAL 7 12.963 13.915 -2.925
72 3HG1 VAL 7 3HG1 VAL 7 14.021 12.505 -2.904
73 1HG2 VAL 7 1HG2 VAL 7 10.374 12.241 -2.975
74 2HG2 VAL 7 2HG2 VAL 7 10.210 12.093 -4.726
75 3HG2 VAL 7 3HG2 VAL 7 10.621 13.650 -4.003
76 H GLU 8 H GLU 8 12.383 13.779 -7.628
77 HA GLU 8 HA GLU 8 12.680 16.521 -6.835
78 1HB GLU 8 2HB GLU 8 11.384 15.626 -9.398
79 2HB GLU 8 1HB GLU 8 12.356 17.059 -9.108
80 1HG GLU 8 2HG GLU 8 13.865 15.823 -10.256
81 2HG GLU 8 1HG GLU 8 14.227 15.258 -8.626
82 H GLY 9 H GLY 9 10.101 14.271 -7.209
83 1HA GLY 9 2HA GLY 9 8.133 15.034 -5.721
84 2HA GLY 9 1HA GLY 9 8.057 16.356 -6.881
85 HA PRO 10 HA PRO 10 7.113 12.569 -9.574
86 1HB PRO 10 2HB PRO 10 7.107 10.082 -8.544
87 2HB PRO 10 1HB PRO 10 8.593 10.878 -9.073
88 1HG PRO 10 2HG PRO 10 7.516 10.516 -6.312
89 2HG PRO 10 1HG PRO 10 9.189 10.411 -6.884
90 1HD PRO 10 2HD PRO 10 8.110 12.598 -5.617
91 2HD PRO 10 1HD PRO 10 9.508 12.659 -6.704
92 H ARG 11 H ARG 11 5.029 13.061 -9.880
93 HA ARG 11 HA ARG 11 2.956 12.526 -8.008
94 1HB ARG 11 2HB ARG 11 2.918 13.165 -10.957
95 2HB ARG 11 1HB ARG 11 1.448 12.849 -10.052
96 1HG ARG 11 2HG ARG 11 1.673 15.188 -10.168
97 2HG ARG 11 1HG ARG 11 2.110 14.731 -8.524
98 1HD ARG 11 2HD ARG 11 4.483 14.857 -9.128
99 2HD ARG 11 1HD ARG 11 4.033 15.339 -10.765
100 HE ARG 11 HE ARG 11 3.027 16.995 -8.591
101 1HH1 ARG 11 1HH1 ARG 11 5.491 16.525 -11.041
102 2HH1 ARG 11 2HH1 ARG 11 5.922 18.210 -11.113
103 1HH2 ARG 11 1HH2 ARG 11 3.605 19.198 -8.656
104 2HH2 ARG 11 2HH2 ARG 11 4.838 19.734 -9.761
105 H SER 12 H SER 12 4.360 10.828 -10.707
106 HA SER 12 HA SER 12 2.708 8.491 -10.074
107 1HB SER 12 2HB SER 12 3.663 7.762 -12.419
108 2HB SER 12 1HB SER 12 2.299 8.876 -12.328
109 HG SER 12 HG SER 12 3.488 10.340 -13.239
110 H VAL 13 H VAL 13 3.674 6.857 -9.095
111 HA VAL 13 HA VAL 13 6.590 6.880 -8.857
112 HB VAL 13 HB VAL 13 6.184 5.150 -7.063
113 1HG1 VAL 13 1HG1 VAL 13 5.437 6.773 -5.405
114 2HG1 VAL 13 2HG1 VAL 13 4.842 7.826 -6.690
115 3HG1 VAL 13 3HG1 VAL 13 6.569 7.508 -6.539
116 1HG2 VAL 13 1HG2 VAL 13 3.313 5.960 -7.527
117 2HG2 VAL 13 2HG2 VAL 13 3.894 5.028 -6.144
118 3HG2 VAL 13 3HG2 VAL 13 4.008 4.355 -7.770
119 H THR 14 H THR 14 7.800 4.934 -9.134
120 HA THR 14 HA THR 14 6.600 3.159 -11.136
121 HB THR 14 HB THR 14 9.532 3.467 -10.461
122 HG1 THR 14 HG1 THR 14 7.810 4.933 -12.117
123 1HG2 THR 14 1HG2 THR 14 8.134 2.283 -12.869
124 2HG2 THR 14 2HG2 THR 14 8.933 1.365 -11.591
125 3HG2 THR 14 3HG2 THR 14 9.880 2.416 -12.647
126 H LEU 15 H LEU 15 5.743 1.412 -10.262
127 HA LEU 15 HA LEU 15 6.603 0.284 -7.780
128 1HB LEU 15 2HB LEU 15 4.736 -0.742 -9.922
129 2HB LEU 15 1HB LEU 15 4.999 -1.549 -8.388
130 HG LEU 15 HG LEU 15 3.826 1.215 -8.730
131 1HD1 LEU 15 1HD1 LEU 15 1.749 0.182 -7.983
132 2HD1 LEU 15 2HD1 LEU 15 2.538 -1.394 -7.942
133 3HD1 LEU 15 3HD1 LEU 15 2.321 -0.557 -9.480
134 1HD2 LEU 15 1HD2 LEU 15 3.379 1.113 -6.349
135 2HD2 LEU 15 2HD2 LEU 15 5.109 0.942 -6.644
136 3HD2 LEU 15 3HD2 LEU 15 4.137 -0.476 -6.252
137 HA PRO 16 HA PRO 16 9.718 -2.561 -9.054
138 1HB PRO 16 2HB PRO 16 8.421 -4.758 -7.579
139 2HB PRO 16 1HB PRO 16 9.985 -3.988 -7.302
140 1HG PRO 16 2HG PRO 16 7.922 -3.588 -5.642
141 2HG PRO 16 1HG PRO 16 9.076 -2.295 -6.018
142 1HD PRO 16 2HD PRO 16 6.323 -2.757 -7.112
143 2HD PRO 16 1HD PRO 16 7.089 -1.240 -6.594
144 H ASP 17 H ASP 17 6.736 -2.792 -10.300
145 HA ASP 17 HA ASP 17 7.228 -5.293 -11.755
146 1HB ASP 17 2HB ASP 17 4.837 -3.446 -11.985
147 2HB ASP 17 1HB ASP 17 4.981 -5.075 -12.626
148 H GLY 18 H GLY 18 7.964 -2.076 -11.920
149 1HA GLY 18 2HA GLY 18 8.953 -0.874 -13.653
150 2HA GLY 18 1HA GLY 18 8.520 -2.168 -14.765
151 H SER 19 H SER 19 6.020 -1.104 -12.736
152 HA SER 19 HA SER 19 4.714 0.201 -15.011
153 1HB SER 19 2HB SER 19 2.616 -0.281 -13.615
154 2HB SER 19 1HB SER 19 3.445 -1.675 -14.308
155 HG SER 19 HG SER 19 2.942 -2.038 -12.122
156 H ILE 20 H ILE 20 3.556 2.128 -14.706
157 HA ILE 20 HA ILE 20 4.519 3.717 -12.439
158 HB ILE 20 HB ILE 20 3.649 5.677 -13.769
159 1HG1 ILE 20 2HG1 ILE 20 3.462 3.584 -15.952
160 2HG1 ILE 20 1HG1 ILE 20 2.098 4.426 -15.221
161 1HG2 ILE 20 1HG2 ILE 20 5.816 3.977 -14.998
162 2HG2 ILE 20 2HG2 ILE 20 6.008 5.110 -13.661
163 3HG2 ILE 20 3HG2 ILE 20 5.591 5.704 -15.269
164 1HD1 ILE 20 1HD1 ILE 20 4.301 5.717 -16.812
165 2HD1 ILE 20 2HD1 ILE 20 2.894 6.531 -16.125
166 3HD1 ILE 20 3HD1 ILE 20 2.684 5.337 -17.404
167 H MET 21 H MET 21 3.242 4.339 -10.872
168 HA MET 21 HA MET 21 0.334 4.347 -11.318
169 1HB MET 21 2HB MET 21 0.654 2.488 -9.896
170 2HB MET 21 1HB MET 21 1.879 3.318 -8.947
171 1HG MET 21 2HG MET 21 0.319 4.542 -7.759
172 2HG MET 21 1HG MET 21 -0.919 4.354 -8.998
173 1HE MET 21 1HE MET 21 -2.573 2.532 -9.146
174 2HE MET 21 2HE MET 21 -2.420 0.938 -8.404
175 3HE MET 21 3HE MET 21 -1.282 1.439 -9.655
176 H THR 22 H THR 22 -0.483 6.303 -11.120
177 HA THR 22 HA THR 22 1.104 8.389 -9.842
178 HB THR 22 HB THR 22 -1.570 8.749 -11.189
179 HG1 THR 22 HG1 THR 22 -0.271 7.672 -12.700
180 1HG2 THR 22 1HG2 THR 22 -0.633 10.968 -11.716
181 2HG2 THR 22 2HG2 THR 22 0.831 10.537 -10.827
182 3HG2 THR 22 3HG2 THR 22 -0.709 10.667 -9.980
183 H ARG 23 H ARG 23 0.157 9.785 -8.224
184 HA ARG 23 HA ARG 23 -1.309 8.345 -6.266
185 1HB ARG 23 2HB ARG 23 -1.169 10.298 -4.900
186 2HB ARG 23 1HB ARG 23 0.358 10.127 -5.749
187 1HG ARG 23 2HG ARG 23 -0.330 11.868 -7.331
188 2HG ARG 23 1HG ARG 23 -1.858 12.045 -6.459
189 1HD ARG 23 2HD ARG 23 -0.485 12.535 -4.396
190 2HD ARG 23 1HD ARG 23 0.925 12.617 -5.449
191 HE ARG 23 HE ARG 23 -0.835 14.355 -6.595
192 1HH1 ARG 23 1HH1 ARG 23 0.617 14.007 -3.421
193 2HH1 ARG 23 2HH1 ARG 23 0.431 15.689 -3.006
194 1HH2 ARG 23 1HH2 ARG 23 -1.075 16.580 -6.056
195 2HH2 ARG 23 2HH2 ARG 23 -0.522 17.146 -4.509
196 H ALA 24 H ALA 24 -2.289 9.918 -9.023
197 HA ALA 24 HA ALA 24 -4.925 10.654 -8.054
198 1HB ALA 24 1HB ALA 24 -3.814 10.719 -10.861
199 2HB ALA 24 2HB ALA 24 -3.789 12.064 -9.721
200 3HB ALA 24 3HB ALA 24 -5.329 11.441 -10.317
201 H ASP 25 H ASP 25 -3.367 7.869 -9.154
202 HA ASP 25 HA ASP 25 -5.734 6.672 -10.357
203 1HB ASP 25 2HB ASP 25 -3.021 5.471 -9.737
204 2HB ASP 25 1HB ASP 25 -4.313 4.657 -10.610
205 H LEU 26 H LEU 26 -4.453 7.169 -7.328
206 HA LEU 26 HA LEU 26 -5.290 4.679 -6.129
207 1HB LEU 26 2HB LEU 26 -4.129 7.203 -4.950
208 2HB LEU 26 1HB LEU 26 -4.488 5.757 -4.026
209 HG LEU 26 HG LEU 26 -2.503 5.887 -6.299
210 1HD1 LEU 26 1HD1 LEU 26 -0.801 5.742 -4.551
211 2HD1 LEU 26 2HD1 LEU 26 -2.054 5.874 -3.319
212 3HD1 LEU 26 3HD1 LEU 26 -1.747 7.223 -4.414
213 1HD2 LEU 26 1HD2 LEU 26 -3.103 3.743 -4.265
214 2HD2 LEU 26 2HD2 LEU 26 -1.786 3.706 -5.438
215 3HD2 LEU 26 3HD2 LEU 26 -3.459 3.675 -5.991
216 HA PRO 27 HA PRO 27 -9.385 5.843 -4.507
217 1HB PRO 27 2HB PRO 27 -8.024 4.616 -2.121
218 2HB PRO 27 1HB PRO 27 -9.669 4.374 -2.721
219 1HG PRO 27 2HG PRO 27 -7.838 2.534 -3.209
220 2HG PRO 27 1HG PRO 27 -8.958 3.019 -4.489
221 1HD PRO 27 2HD PRO 27 -6.083 3.719 -4.123
222 2HD PRO 27 1HD PRO 27 -6.998 3.437 -5.619
223 HA PRO 28 HA PRO 28 -7.517 9.707 -2.971
224 1HB PRO 28 2HB PRO 28 -10.376 10.493 -2.819
225 2HB PRO 28 1HB PRO 28 -9.026 11.306 -3.614
226 1HG PRO 28 2HG PRO 28 -10.865 10.015 -5.040
227 2HG PRO 28 1HG PRO 28 -9.151 9.960 -5.498
228 1HD PRO 28 2HD PRO 28 -10.811 7.890 -4.108
229 2HD PRO 28 1HD PRO 28 -9.569 7.685 -5.362
230 H ALA 29 H ALA 29 -10.378 8.222 -1.587
231 HA ALA 29 HA ALA 29 -9.346 7.976 1.006
232 1HB ALA 29 1HB ALA 29 -10.703 9.578 2.234
233 2HB ALA 29 2HB ALA 29 -11.369 10.205 0.727
234 3HB ALA 29 3HB ALA 29 -9.658 10.429 1.096
235 H ASN 30 H ASN 30 -12.239 8.546 -0.916
236 HA ASN 30 HA ASN 30 -13.438 6.158 0.299
237 1HB ASN 30 2HB ASN 30 -14.493 8.197 1.220
238 2HB ASN 30 1HB ASN 30 -14.911 8.706 -0.412
239 1HD2 ASN 30 1HD2 ASN 30 -15.025 5.421 0.850
240 2HD2 ASN 30 2HD2 ASN 30 -16.744 5.248 0.727
241 H THR 31 H THR 31 -12.638 5.041 -1.534
242 HA THR 31 HA THR 31 -13.586 5.502 -4.157
243 HB THR 31 HB THR 31 -13.085 2.773 -2.973
244 HG1 THR 31 HG1 THR 31 -11.022 3.231 -2.844
245 1HG2 THR 31 1HG2 THR 31 -13.935 2.863 -5.276
246 2HG2 THR 31 2HG2 THR 31 -12.273 2.271 -5.225
247 3HG2 THR 31 3HG2 THR 31 -12.602 3.931 -5.721
248 H ARG 32 H ARG 32 -15.699 5.207 -4.923
249 HA ARG 32 HA ARG 32 -17.708 4.598 -2.979
250 1HB ARG 32 2HB ARG 32 -17.879 6.250 -4.942
251 2HB ARG 32 1HB ARG 32 -18.224 4.836 -5.932
252 1HG ARG 32 2HG ARG 32 -20.151 4.317 -4.531
253 2HG ARG 32 1HG ARG 32 -19.802 5.724 -3.524
254 1HD ARG 32 2HD ARG 32 -21.514 6.372 -5.027
255 2HD ARG 32 1HD ARG 32 -20.025 7.126 -5.596
256 HE ARG 32 HE ARG 32 -21.236 4.720 -6.803
257 1HH1 ARG 32 1HH1 ARG 32 -19.378 7.687 -7.044
258 2HH1 ARG 32 2HH1 ARG 32 -19.215 7.580 -8.775
259 1HH2 ARG 32 1HH2 ARG 32 -21.027 4.590 -9.066
260 2HH2 ARG 32 2HH2 ARG 32 -20.173 5.835 -9.923
261 H ARG 33 H ARG 33 -16.077 2.852 -5.475
262 HA ARG 33 HA ARG 33 -17.461 0.422 -4.593
263 1HB ARG 33 2HB ARG 33 -18.465 0.945 -6.724
264 2HB ARG 33 1HB ARG 33 -16.888 1.208 -7.456
265 1HG ARG 33 2HG ARG 33 -16.360 -1.149 -7.220
266 2HG ARG 33 1HG ARG 33 -17.910 -1.433 -6.424
267 1HD ARG 33 2HD ARG 33 -19.096 -0.764 -8.427
268 2HD ARG 33 1HD ARG 33 -17.575 -0.374 -9.226
269 HE ARG 33 HE ARG 33 -17.048 -2.788 -9.093
270 1HH1 ARG 33 1HH1 ARG 33 -20.391 -1.807 -8.721
271 2HH1 ARG 33 2HH1 ARG 33 -21.026 -3.267 -9.419
272 1HH2 ARG 33 1HH2 ARG 33 -17.873 -4.712 -9.966
273 2HH2 ARG 33 2HH2 ARG 33 -19.597 -4.929 -10.127
274 H TRP 34 H TRP 34 -15.916 -0.625 -3.536
275 HA TRP 34 HA TRP 34 -13.132 -0.401 -4.364
276 1HB TRP 34 2HB TRP 34 -14.480 -1.702 -1.997
277 2HB TRP 34 1HB TRP 34 -12.759 -1.870 -2.321
278 HD1 TRP 34 HD1 TRP 34 -15.356 0.751 -1.248
279 HE1 TRP 34 HE1 TRP 34 -14.112 2.697 -0.109
280 HE3 TRP 34 HE3 TRP 34 -10.549 -0.681 -2.218
281 HZ2 TRP 34 HZ2 TRP 34 -11.448 3.512 0.323
282 HZ3 TRP 34 HZ3 TRP 34 -8.710 0.739 -1.406
283 HH2 TRP 34 HH2 TRP 34 -9.151 2.790 -0.164
284 H VAL 35 H VAL 35 -12.069 -1.894 -5.501
285 HA VAL 35 HA VAL 35 -13.120 -4.643 -5.529
286 HB VAL 35 HB VAL 35 -12.148 -5.003 -7.716
287 1HG1 VAL 35 1HG1 VAL 35 -13.527 -3.518 -9.080
288 2HG1 VAL 35 2HG1 VAL 35 -13.748 -2.446 -7.696
289 3HG1 VAL 35 3HG1 VAL 35 -14.405 -4.083 -7.657
290 1HG2 VAL 35 1HG2 VAL 35 -11.211 -2.144 -7.579
291 2HG2 VAL 35 2HG2 VAL 35 -11.105 -3.188 -8.995
292 3HG2 VAL 35 3HG2 VAL 35 -10.191 -3.581 -7.540
293 H ALA 36 H ALA 36 -11.414 -6.324 -5.632
294 HA ALA 36 HA ALA 36 -9.583 -5.986 -3.559
295 1HB ALA 36 1HB ALA 36 -10.453 -8.161 -4.337
296 2HB ALA 36 2HB ALA 36 -8.702 -8.144 -4.144
297 3HB ALA 36 3HB ALA 36 -9.412 -8.041 -5.755
298 H SER 37 H SER 37 -9.016 -5.906 -7.068
299 HA SER 37 HA SER 37 -6.240 -5.602 -6.997
300 1HB SER 37 2HB SER 37 -8.175 -4.464 -9.029
301 2HB SER 37 1HB SER 37 -6.448 -4.728 -9.275
302 HG SER 37 HG SER 37 -6.749 -6.851 -9.390
303 H ARG 38 H ARG 38 -8.780 -3.256 -6.490
304 HA ARG 38 HA ARG 38 -7.072 -0.962 -6.826
305 1HB ARG 38 2HB ARG 38 -9.717 -1.246 -7.032
306 2HB ARG 38 1HB ARG 38 -9.642 -0.750 -5.348
307 1HG ARG 38 2HG ARG 38 -8.605 1.316 -5.923
308 2HG ARG 38 1HG ARG 38 -8.375 0.795 -7.598
309 1HD ARG 38 2HD ARG 38 -10.911 0.569 -7.696
310 2HD ARG 38 1HD ARG 38 -10.940 1.473 -6.181
311 HE ARG 38 HE ARG 38 -9.721 3.263 -7.466
312 1HH1 ARG 38 1HH1 ARG 38 -11.746 0.928 -9.109
313 2HH1 ARG 38 2HH1 ARG 38 -12.172 2.001 -10.407
314 1HH2 ARG 38 1HH2 ARG 38 -10.237 4.674 -9.182
315 2HH2 ARG 38 2HH2 ARG 38 -11.283 4.139 -10.463
316 H LYS 39 H LYS 39 -8.099 -3.014 -4.208
317 HA LYS 39 HA LYS 39 -7.178 -1.284 -2.115
318 1HB LYS 39 2HB LYS 39 -7.710 -4.263 -2.074
319 2HB LYS 39 1HB LYS 39 -7.491 -3.239 -0.659
320 1HG LYS 39 2HG LYS 39 -9.471 -1.916 -1.445
321 2HG LYS 39 1HG LYS 39 -9.742 -3.178 -2.643
322 1HD LYS 39 2HD LYS 39 -9.968 -4.825 -0.847
323 2HD LYS 39 1HD LYS 39 -9.703 -3.547 0.345
324 1HE LYS 39 2HE LYS 39 -11.689 -2.365 -0.697
325 2HE LYS 39 1HE LYS 39 -12.012 -3.869 -1.556
326 1HZ LYS 39 1HZ LYS 39 -11.962 -3.468 1.391
327 2HZ LYS 39 2HZ LYS 39 -12.142 -4.974 0.630
328 3HZ LYS 39 3HZ LYS 39 -13.325 -3.784 0.422
329 H ILE 40 H ILE 40 -5.892 -4.061 -3.860
330 HA ILE 40 HA ILE 40 -3.394 -4.263 -2.634
331 HB ILE 40 HB ILE 40 -4.206 -4.751 -5.506
332 1HG1 ILE 40 2HG1 ILE 40 -3.738 -6.641 -3.193
333 2HG1 ILE 40 1HG1 ILE 40 -5.313 -6.150 -3.802
334 1HG2 ILE 40 1HG2 ILE 40 -1.809 -4.354 -5.426
335 2HG2 ILE 40 2HG2 ILE 40 -2.141 -6.057 -5.736
336 3HG2 ILE 40 3HG2 ILE 40 -1.640 -5.535 -4.126
337 1HD1 ILE 40 1HD1 ILE 40 -4.675 -8.370 -4.578
338 2HD1 ILE 40 2HD1 ILE 40 -3.248 -7.686 -5.357
339 3HD1 ILE 40 3HD1 ILE 40 -4.858 -7.235 -5.915
340 H ALA 41 H ALA 41 -4.563 -2.143 -5.192
341 HA ALA 41 HA ALA 41 -2.123 -0.901 -5.829
342 1HB ALA 41 1HB ALA 41 -4.128 -0.726 -7.229
343 2HB ALA 41 2HB ALA 41 -3.471 0.861 -6.828
344 3HB ALA 41 3HB ALA 41 -4.904 0.261 -5.991
345 H VAL 42 H VAL 42 -4.497 -0.275 -3.291
346 HA VAL 42 HA VAL 42 -3.581 2.271 -2.540
347 HB VAL 42 HB VAL 42 -4.782 0.262 -0.623
348 1HG1 VAL 42 1HG1 VAL 42 -4.876 3.275 -0.655
349 2HG1 VAL 42 2HG1 VAL 42 -3.799 2.309 0.355
350 3HG1 VAL 42 3HG1 VAL 42 -5.548 2.212 0.582
351 1HG2 VAL 42 1HG2 VAL 42 -6.181 2.179 -2.480
352 2HG2 VAL 42 2HG2 VAL 42 -6.958 1.224 -1.217
353 3HG2 VAL 42 3HG2 VAL 42 -6.200 0.419 -2.592
354 H VAL 43 H VAL 43 -2.832 -0.913 -1.063
355 HA VAL 43 HA VAL 43 -1.000 0.128 0.798
356 HB VAL 43 HB VAL 43 -0.010 -2.367 0.513
357 1HG1 VAL 43 1HG1 VAL 43 -0.831 -1.521 2.581
358 2HG1 VAL 43 2HG1 VAL 43 -1.696 -3.024 2.254
359 3HG1 VAL 43 3HG1 VAL 43 -2.486 -1.472 1.979
360 1HG2 VAL 43 1HG2 VAL 43 -1.426 -2.969 -1.359
361 2HG2 VAL 43 2HG2 VAL 43 -2.869 -2.508 -0.456
362 3HG2 VAL 43 3HG2 VAL 43 -1.907 -3.892 0.066
363 H ARG 44 H ARG 44 -0.450 -1.070 -2.495
364 HA ARG 44 HA ARG 44 2.402 -0.853 -2.291
365 1HB ARG 44 2HB ARG 44 0.677 -0.905 -4.774
366 2HB ARG 44 1HB ARG 44 2.411 -1.194 -4.707
367 1HG ARG 44 2HG ARG 44 1.984 -3.180 -3.289
368 2HG ARG 44 1HG ARG 44 0.253 -2.902 -3.480
369 1HD ARG 44 2HD ARG 44 0.702 -4.502 -5.097
370 2HD ARG 44 1HD ARG 44 0.751 -2.999 -6.014
371 HE ARG 44 HE ARG 44 3.306 -3.908 -5.003
372 1HH1 ARG 44 1HH1 ARG 44 1.062 -3.927 -7.688
373 2HH1 ARG 44 2HH1 ARG 44 2.266 -4.403 -8.851
374 1HH2 ARG 44 1HH2 ARG 44 4.880 -4.590 -6.538
375 2HH2 ARG 44 2HH2 ARG 44 4.406 -4.787 -8.203
376 H GLY 45 H GLY 45 -0.197 1.250 -3.426
377 1HA GLY 45 2HA GLY 45 1.446 3.278 -4.516
378 2HA GLY 45 1HA GLY 45 -0.222 3.466 -4.000
379 H VAL 46 H VAL 46 -0.092 2.973 -1.302
380 HA VAL 46 HA VAL 46 0.913 5.471 -0.398
381 HB VAL 46 HB VAL 46 0.268 4.743 1.889
382 1HG1 VAL 46 1HG1 VAL 46 -1.344 5.859 0.485
383 2HG1 VAL 46 2HG1 VAL 46 -2.139 4.627 1.469
384 3HG1 VAL 46 3HG1 VAL 46 -1.814 4.321 -0.240
385 1HG2 VAL 46 1HG2 VAL 46 -0.630 2.193 0.551
386 2HG2 VAL 46 2HG2 VAL 46 -0.933 2.655 2.227
387 3HG2 VAL 46 3HG2 VAL 46 0.715 2.344 1.681
388 H ILE 47 H ILE 47 1.931 2.136 0.349
389 HA ILE 47 HA ILE 47 3.931 2.963 2.186
390 HB ILE 47 HB ILE 47 3.439 0.302 0.843
391 1HG1 ILE 47 2HG1 ILE 47 2.795 1.272 3.638
392 2HG1 ILE 47 1HG1 ILE 47 1.630 1.102 2.328
393 1HG2 ILE 47 1HG2 ILE 47 5.261 0.929 3.158
394 2HG2 ILE 47 2HG2 ILE 47 5.760 0.441 1.539
395 3HG2 ILE 47 3HG2 ILE 47 4.864 -0.682 2.563
396 1HD1 ILE 47 1HD1 ILE 47 3.188 -1.117 3.632
397 2HD1 ILE 47 2HD1 ILE 47 2.081 -1.312 2.274
398 3HD1 ILE 47 3HD1 ILE 47 1.471 -0.770 3.837
399 H TYR 48 H TYR 48 4.041 1.860 -1.184
400 HA TYR 48 HA TYR 48 6.936 1.921 -1.175
401 1HB TYR 48 2HB TYR 48 5.570 0.185 -2.393
402 2HB TYR 48 1HB TYR 48 5.092 1.453 -3.519
403 HD1 TYR 48 HD1 TYR 48 6.591 2.230 -5.211
404 HD2 TYR 48 HD2 TYR 48 7.907 -0.574 -2.298
405 HE1 TYR 48 HE1 TYR 48 8.624 1.823 -6.532
406 HE2 TYR 48 HE2 TYR 48 9.948 -0.990 -3.610
407 HH TYR 48 HH TYR 48 10.865 1.001 -6.252
408 H GLY 49 H GLY 49 4.303 3.950 -2.175
409 1HA GLY 49 2HA GLY 49 6.090 5.505 -3.894
410 2HA GLY 49 1HA GLY 49 4.339 5.567 -3.914
411 H LEU 50 H LEU 50 3.586 6.199 -1.422
412 HA LEU 50 HA LEU 50 4.518 8.964 -1.525
413 1HB LEU 50 2HB LEU 50 1.937 7.704 -0.666
414 2HB LEU 50 1HB LEU 50 2.329 9.348 -0.210
415 HG LEU 50 HG LEU 50 2.534 9.907 -2.645
416 1HD1 LEU 50 1HD1 LEU 50 1.316 7.178 -3.038
417 2HD1 LEU 50 2HD1 LEU 50 2.949 7.650 -3.502
418 3HD1 LEU 50 3HD1 LEU 50 1.560 8.401 -4.286
419 1HD2 LEU 50 1HD2 LEU 50 0.126 9.971 -3.035
420 2HD2 LEU 50 2HD2 LEU 50 0.521 10.417 -1.375
421 3HD2 LEU 50 3HD2 LEU 50 -0.118 8.810 -1.730
422 H ILE 51 H ILE 51 3.115 7.007 1.135
423 HA ILE 51 HA ILE 51 4.984 8.419 2.900
424 HB ILE 51 HB ILE 51 3.283 8.995 4.478
425 1HG1 ILE 51 2HG1 ILE 51 1.804 7.014 4.096
426 2HG1 ILE 51 1HG1 ILE 51 0.935 8.535 4.222
427 1HG2 ILE 51 1HG2 ILE 51 3.648 10.610 2.739
428 2HG2 ILE 51 2HG2 ILE 51 1.945 10.600 3.192
429 3HG2 ILE 51 3HG2 ILE 51 2.465 9.815 1.702
430 1HD1 ILE 51 1HD1 ILE 51 1.552 7.047 1.680
431 2HD1 ILE 51 2HD1 ILE 51 0.707 8.591 1.782
432 3HD1 ILE 51 3HD1 ILE 51 -0.012 7.143 2.490
433 H THR 52 H THR 52 4.829 7.593 5.198
434 HA THR 52 HA THR 52 5.257 4.793 5.241
435 HB THR 52 HB THR 52 6.457 6.140 6.812
436 HG1 THR 52 HG1 THR 52 6.193 4.239 7.763
437 1HG2 THR 52 1HG2 THR 52 3.801 6.914 8.009
438 2HG2 THR 52 2HG2 THR 52 4.846 7.970 7.062
439 3HG2 THR 52 3HG2 THR 52 5.387 7.371 8.630
440 H LEU 53 H LEU 53 4.167 3.364 6.791
441 HA LEU 53 HA LEU 53 1.456 3.094 6.141
442 1HB LEU 53 2HB LEU 53 2.765 1.178 6.713
443 2HB LEU 53 1HB LEU 53 3.153 1.847 8.287
444 HG LEU 53 HG LEU 53 0.862 1.550 9.037
445 1HD1 LEU 53 1HD1 LEU 53 0.306 0.482 6.269
446 2HD1 LEU 53 2HD1 LEU 53 -0.284 2.008 6.929
447 3HD1 LEU 53 3HD1 LEU 53 -0.820 0.480 7.628
448 1HD2 LEU 53 1HD2 LEU 53 2.370 -0.349 9.282
449 2HD2 LEU 53 2HD2 LEU 53 1.922 -0.927 7.677
450 3HD2 LEU 53 3HD2 LEU 53 0.722 -0.894 8.968
451 H ALA 54 H ALA 54 3.072 4.595 8.873
452 HA ALA 54 HA ALA 54 0.923 4.809 10.635
453 1HB ALA 54 1HB ALA 54 3.245 5.375 11.211
454 2HB ALA 54 2HB ALA 54 2.118 6.659 11.651
455 3HB ALA 54 3HB ALA 54 3.126 6.823 10.210
456 H GLU 55 H GLU 55 1.898 6.947 7.979
457 HA GLU 55 HA GLU 55 -0.214 8.824 8.507
458 1HB GLU 55 2HB GLU 55 1.601 8.559 6.104
459 2HB GLU 55 1HB GLU 55 0.568 9.939 6.458
460 1HG GLU 55 2HG GLU 55 1.829 10.294 8.554
461 2HG GLU 55 1HG GLU 55 2.903 8.976 8.095
462 H ALA 56 H ALA 56 0.337 6.195 6.219
463 HA ALA 56 HA ALA 56 -2.131 6.565 4.776
464 1HB ALA 56 1HB ALA 56 -1.628 4.404 3.779
465 2HB ALA 56 2HB ALA 56 -0.363 4.121 4.974
466 3HB ALA 56 3HB ALA 56 -0.184 5.416 3.793
467 H LYS 57 H LYS 57 -1.407 5.360 7.848
468 HA LYS 57 HA LYS 57 -3.769 3.676 7.962
469 1HB LYS 57 2HB LYS 57 -1.768 3.010 9.201
470 2HB LYS 57 1HB LYS 57 -1.813 4.510 10.110
471 1HG LYS 57 2HG LYS 57 -3.802 3.860 11.232
472 2HG LYS 57 1HG LYS 57 -4.011 2.464 10.179
473 1HD LYS 57 2HD LYS 57 -3.079 1.939 12.448
474 2HD LYS 57 1HD LYS 57 -2.092 1.385 11.094
475 1HE LYS 57 2HE LYS 57 -0.670 3.380 11.344
476 2HE LYS 57 1HE LYS 57 -1.633 3.878 12.733
477 1HZ LYS 57 1HZ LYS 57 0.428 2.743 13.359
478 2HZ LYS 57 2HZ LYS 57 -0.095 1.340 12.555
479 3HZ LYS 57 3HZ LYS 57 -0.947 1.911 13.908
480 H GLN 58 H GLN 58 -2.671 6.852 9.015
481 HA GLN 58 HA GLN 58 -4.951 7.514 10.553
482 1HB GLN 58 2HB GLN 58 -3.122 9.379 9.025
483 2HB GLN 58 1HB GLN 58 -4.239 9.846 10.296
484 1HG GLN 58 2HG GLN 58 -1.708 8.252 10.533
485 2HG GLN 58 1HG GLN 58 -2.100 9.805 11.267
486 1HE2 GLN 58 1HE2 GLN 58 -2.351 6.396 11.510
487 2HE2 GLN 58 2HE2 GLN 58 -3.101 6.341 13.065
488 H THR 59 H THR 59 -4.107 7.970 7.162
489 HA THR 59 HA THR 59 -6.690 9.182 6.608
490 HB THR 59 HB THR 59 -4.517 8.552 4.611
491 HG1 THR 59 HG1 THR 59 -4.815 11.028 5.991
492 1HG2 THR 59 1HG2 THR 59 -6.702 10.645 4.666
493 2HG2 THR 59 2HG2 THR 59 -6.693 9.181 3.680
494 3HG2 THR 59 3HG2 THR 59 -5.499 10.444 3.392
495 H TYR 60 H TYR 60 -4.815 6.345 5.477
496 HA TYR 60 HA TYR 60 -7.246 5.400 4.161
497 1HB TYR 60 2HB TYR 60 -4.407 4.569 3.612
498 2HB TYR 60 1HB TYR 60 -5.825 4.073 2.704
499 HD1 TYR 60 HD1 TYR 60 -7.067 5.750 1.350
500 HD2 TYR 60 HD2 TYR 60 -3.325 6.650 3.164
501 HE1 TYR 60 HE1 TYR 60 -6.815 7.685 -0.141
502 HE2 TYR 60 HE2 TYR 60 -3.067 8.594 1.677
503 HH TYR 60 HH TYR 60 -5.647 9.753 -0.289
504 H GLY 61 H GLY 61 -6.293 4.959 7.063
505 1HA GLY 61 2HA GLY 61 -5.393 2.293 7.293
506 2HA GLY 61 1HA GLY 61 -6.071 3.261 8.586
507 H LEU 62 H LEU 62 -8.567 3.536 6.801
508 HA LEU 62 HA LEU 62 -10.679 2.698 6.992
509 1HB LEU 62 2HB LEU 62 -10.023 -0.047 6.304
510 2HB LEU 62 1HB LEU 62 -10.999 1.122 5.439
511 HG LEU 62 HG LEU 62 -8.384 1.973 5.011
512 1HD1 LEU 62 1HD1 LEU 62 -7.547 -0.138 5.907
513 2HD1 LEU 62 2HD1 LEU 62 -7.228 -0.007 4.176
514 3HD1 LEU 62 3HD1 LEU 62 -8.543 -1.030 4.755
515 1HD2 LEU 62 1HD2 LEU 62 -8.795 1.312 2.725
516 2HD2 LEU 62 2HD2 LEU 62 -10.267 1.991 3.421
517 3HD2 LEU 62 3HD2 LEU 62 -10.102 0.243 3.234
518 H SER 63 H SER 63 -9.618 -0.540 7.578
519 HA SER 63 HA SER 63 -9.887 -0.236 10.469
520 1HB SER 63 2HB SER 63 -11.370 -2.315 8.835
521 2HB SER 63 1HB SER 63 -11.346 -2.219 10.599
522 HG SER 63 HG SER 63 -12.044 0.163 9.778
523 H ASP 64 H ASP 64 -8.664 -1.706 11.648
524 HA ASP 64 HA ASP 64 -6.236 -2.487 10.625
525 1HB ASP 64 2HB ASP 64 -6.617 -2.336 13.007
526 2HB ASP 64 1HB ASP 64 -7.757 -3.677 12.947
527 H GLU 65 H GLU 65 -9.080 -4.540 11.085
528 HA GLU 65 HA GLU 65 -8.087 -6.967 10.222
529 1HB GLU 65 2HB GLU 65 -10.712 -5.711 10.494
530 2HB GLU 65 1HB GLU 65 -10.665 -6.932 9.230
531 1HG GLU 65 2HG GLU 65 -9.628 -7.484 11.984
532 2HG GLU 65 1HG GLU 65 -11.337 -7.652 11.576
533 H GLU 66 H GLU 66 -9.494 -4.366 8.246
534 HA GLU 66 HA GLU 66 -9.379 -5.867 5.838
535 1HB GLU 66 2HB GLU 66 -10.801 -3.738 6.430
536 2HB GLU 66 1HB GLU 66 -9.392 -2.880 5.821
537 1HG GLU 66 2HG GLU 66 -9.549 -4.102 3.712
538 2HG GLU 66 1HG GLU 66 -10.977 -4.938 4.307
539 H PHE 67 H PHE 67 -7.283 -3.366 7.249
540 HA PHE 67 HA PHE 67 -5.678 -3.030 4.964
541 1HB PHE 67 2HB PHE 67 -5.854 -1.606 7.175
542 2HB PHE 67 1HB PHE 67 -4.520 -2.630 7.698
543 HD1 PHE 67 HD1 PHE 67 -2.420 -2.679 6.310
544 HD2 PHE 67 HD2 PHE 67 -5.508 0.191 5.724
545 HE1 PHE 67 HE1 PHE 67 -0.851 -1.241 5.077
546 HE2 PHE 67 HE2 PHE 67 -3.944 1.635 4.498
547 HZ PHE 67 HZ PHE 67 -1.609 0.915 4.169
548 H ASN 68 H ASN 68 -5.297 -5.135 7.804
549 HA ASN 68 HA ASN 68 -2.820 -6.263 6.998
550 1HB ASN 68 2HB ASN 68 -4.987 -7.254 8.848
551 2HB ASN 68 1HB ASN 68 -3.521 -8.179 8.537
552 1HD2 ASN 68 1HD2 ASN 68 -4.897 -5.425 10.082
553 2HD2 ASN 68 2HD2 ASN 68 -3.508 -4.986 11.013
554 H SER 69 H SER 69 -6.139 -6.952 6.222
555 HA SER 69 HA SER 69 -5.854 -9.524 5.166
556 1HB SER 69 2HB SER 69 -8.012 -8.367 5.704
557 2HB SER 69 1HB SER 69 -7.799 -7.394 4.250
558 HG SER 69 HG SER 69 -9.131 -9.204 3.865
559 H TRP 70 H TRP 70 -5.426 -6.329 3.672
560 HA TRP 70 HA TRP 70 -5.129 -7.233 1.013
561 1HB TRP 70 2HB TRP 70 -3.834 -4.797 2.260
562 2HB TRP 70 1HB TRP 70 -4.092 -5.080 0.547
563 HD1 TRP 70 HD1 TRP 70 -7.261 -6.144 1.679
564 HE1 TRP 70 HE1 TRP 70 -8.974 -4.235 1.832
565 HE3 TRP 70 HE3 TRP 70 -4.068 -2.174 1.525
566 HZ2 TRP 70 HZ2 TRP 70 -8.978 -1.418 1.838
567 HZ3 TRP 70 HZ3 TRP 70 -5.000 0.099 1.594
568 HH2 TRP 70 HH2 TRP 70 -7.405 0.468 1.748
569 H VAL 71 H VAL 71 -2.743 -6.439 3.514
570 HA VAL 71 HA VAL 71 -0.454 -6.996 1.979
571 HB VAL 71 HB VAL 71 -0.713 -7.151 4.983
572 1HG1 VAL 71 1HG1 VAL 71 1.689 -6.674 3.220
573 2HG1 VAL 71 2HG1 VAL 71 1.356 -8.131 4.155
574 3HG1 VAL 71 3HG1 VAL 71 1.684 -6.611 4.984
575 1HG2 VAL 71 1HG2 VAL 71 -0.055 -4.782 3.235
576 2HG2 VAL 71 2HG2 VAL 71 0.009 -4.808 4.998
577 3HG2 VAL 71 3HG2 VAL 71 -1.534 -5.009 4.167
578 H SER 72 H SER 72 -2.313 -8.988 4.244
579 HA SER 72 HA SER 72 -0.620 -11.242 4.137
580 1HB SER 72 2HB SER 72 -3.569 -11.040 4.799
581 2HB SER 72 1HB SER 72 -2.556 -12.451 5.116
582 HG SER 72 HG SER 72 -2.941 -10.510 6.736
583 H ALA 73 H ALA 73 -3.237 -10.141 2.079
584 HA ALA 73 HA ALA 73 -3.472 -12.593 0.608
585 1HB ALA 73 1HB ALA 73 -4.817 -11.285 -0.955
586 2HB ALA 73 2HB ALA 73 -4.325 -9.797 -0.143
587 3HB ALA 73 3HB ALA 73 -5.312 -10.982 0.713
588 H LEU 74 H LEU 74 -1.567 -9.694 0.419
589 HA LEU 74 HA LEU 74 -0.449 -10.264 -2.165
590 1HB LEU 74 2HB LEU 74 0.284 -8.312 0.013
591 2HB LEU 74 1HB LEU 74 1.137 -8.416 -1.520
592 HG LEU 74 HG LEU 74 -1.803 -7.796 -1.243
593 1HD1 LEU 74 1HD1 LEU 74 -0.462 -6.007 -0.302
594 2HD1 LEU 74 2HD1 LEU 74 -1.167 -5.508 -1.841
595 3HD1 LEU 74 3HD1 LEU 74 0.535 -5.965 -1.756
596 1HD2 LEU 74 1HD2 LEU 74 0.071 -7.700 -3.604
597 2HD2 LEU 74 2HD2 LEU 74 -1.608 -7.161 -3.603
598 3HD2 LEU 74 3HD2 LEU 74 -1.229 -8.866 -3.349
599 H ALA 75 H ALA 75 0.142 -11.227 1.047
600 HA ALA 75 HA ALA 75 2.937 -11.746 0.820
601 1HB ALA 75 1HB ALA 75 1.904 -11.320 2.983
602 2HB ALA 75 2HB ALA 75 2.688 -12.900 2.959
603 3HB ALA 75 3HB ALA 75 0.934 -12.785 2.818
604 H GLU 76 H GLU 76 0.234 -13.280 -0.414
605 HA GLU 76 HA GLU 76 -0.019 -15.167 -1.660
606 1HB GLU 76 2HB GLU 76 2.376 -14.782 -2.308
607 2HB GLU 76 1HB GLU 76 2.850 -15.833 -0.985
608 1HG GLU 76 2HG GLU 76 1.806 -17.714 -2.023
609 2HG GLU 76 1HG GLU 76 1.101 -16.688 -3.275
610 H HIS 77 H HIS 77 1.743 -15.561 1.361
611 HA HIS 77 HA HIS 77 -0.279 -17.547 2.161
612 1HB HIS 77 2HB HIS 77 2.601 -17.556 3.104
613 2HB HIS 77 1HB HIS 77 1.360 -18.745 3.479
614 HD1 HIS 77 HD1 HIS 77 0.590 -20.297 1.415
615 HD2 HIS 77 HD2 HIS 77 4.044 -18.044 0.841
616 HE1 HIS 77 HE1 HIS 77 1.762 -21.327 -0.560
617 HE2 HIS 77 HE2 HIS 77 3.906 -20.024 -0.813
618 H GLY 78 H GLY 78 -1.423 -16.847 3.880
619 1HA GLY 78 2HA GLY 78 -0.760 -14.271 4.985
620 2HA GLY 78 1HA GLY 78 -2.184 -15.231 5.351
621 H LYS 79 H LYS 79 1.321 -15.659 5.772
622 HA LYS 79 HA LYS 79 0.935 -15.858 8.664
623 1HB LYS 79 2HB LYS 79 2.486 -17.893 7.044
624 2HB LYS 79 1HB LYS 79 2.408 -17.831 8.797
625 1HG LYS 79 2HG LYS 79 0.004 -18.281 8.700
626 2HG LYS 79 1HG LYS 79 0.100 -18.363 6.940
627 1HD LYS 79 2HD LYS 79 1.747 -20.213 7.182
628 2HD LYS 79 1HD LYS 79 1.460 -20.182 8.923
629 1HE LYS 79 2HE LYS 79 -0.912 -20.669 8.526
630 2HE LYS 79 1HE LYS 79 -0.600 -20.732 6.791
631 1HZ LYS 79 1HZ LYS 79 1.014 -22.548 7.273
632 2HZ LYS 79 2HZ LYS 79 -0.603 -22.943 7.604
633 3HZ LYS 79 3HZ LYS 79 0.453 -22.559 8.875
634 H ASP 80 H ASP 80 3.290 -15.903 6.023
635 HA ASP 80 HA ASP 80 5.439 -15.025 7.695
636 1HB ASP 80 2HB ASP 80 5.313 -15.213 4.679
637 2HB ASP 80 1HB ASP 80 6.773 -15.056 5.653
638 H ALA 81 H ALA 81 3.974 -13.600 4.805
639 HA ALA 81 HA ALA 81 3.546 -11.475 4.160
640 1HB ALA 81 1HB ALA 81 3.268 -9.712 5.806
641 2HB ALA 81 2HB ALA 81 4.043 -10.715 7.032
642 3HB ALA 81 3HB ALA 81 2.493 -11.200 6.347
643 H LEU 82 H LEU 82 6.524 -12.414 5.401
644 HA LEU 82 HA LEU 82 7.954 -9.965 4.981
645 1HB LEU 82 2HB LEU 82 8.704 -11.743 6.535
646 2HB LEU 82 1HB LEU 82 8.978 -12.801 5.167
647 HG LEU 82 HG LEU 82 10.702 -11.223 4.331
648 1HD1 LEU 82 1HD1 LEU 82 10.270 -9.836 6.972
649 2HD1 LEU 82 2HD1 LEU 82 9.859 -9.187 5.384
650 3HD1 LEU 82 3HD1 LEU 82 11.546 -9.484 5.808
651 1HD2 LEU 82 1HD2 LEU 82 11.343 -13.158 5.648
652 2HD2 LEU 82 2HD2 LEU 82 11.108 -12.244 7.136
653 3HD2 LEU 82 3HD2 LEU 82 12.388 -11.786 6.014
654 H LYS 83 H LYS 83 6.675 -12.319 2.970
655 HA LYS 83 HA LYS 83 8.611 -12.216 0.859
656 1HB LYS 83 2HB LYS 83 7.296 -14.214 1.119
657 2HB LYS 83 1HB LYS 83 5.797 -13.305 1.070
658 1HG LYS 83 2HG LYS 83 6.113 -14.523 -0.983
659 2HG LYS 83 1HG LYS 83 6.190 -12.787 -1.286
660 1HD LYS 83 2HD LYS 83 8.563 -12.855 -1.510
661 2HD LYS 83 1HD LYS 83 8.632 -14.516 -0.911
662 1HE LYS 83 2HE LYS 83 8.887 -14.362 -3.365
663 2HE LYS 83 1HE LYS 83 7.490 -15.317 -2.880
664 1HZ LYS 83 1HZ LYS 83 7.513 -12.560 -3.972
665 2HZ LYS 83 2HZ LYS 83 6.151 -13.238 -3.224
666 3HZ LYS 83 3HZ LYS 83 6.776 -13.943 -4.626
667 H VAL 84 H VAL 84 5.986 -10.270 1.867
668 HA VAL 84 HA VAL 84 5.226 -9.169 -0.643
669 HB VAL 84 HB VAL 84 5.000 -7.799 2.041
670 1HG1 VAL 84 1HG1 VAL 84 4.506 -6.381 0.131
671 2HG1 VAL 84 2HG1 VAL 84 3.030 -6.740 1.029
672 3HG1 VAL 84 3HG1 VAL 84 3.367 -7.579 -0.486
673 1HG2 VAL 84 1HG2 VAL 84 3.094 -9.779 0.805
674 2HG2 VAL 84 2HG2 VAL 84 2.810 -8.847 2.276
675 3HG2 VAL 84 3HG2 VAL 84 4.098 -10.054 2.232
676 H THR 85 H THR 85 6.404 -7.868 -1.885
677 HA THR 85 HA THR 85 8.953 -6.977 -1.315
678 HB THR 85 HB THR 85 7.117 -5.553 -3.236
679 HG1 THR 85 HG1 THR 85 8.248 -8.142 -3.338
680 1HG2 THR 85 1HG2 THR 85 9.347 -4.591 -2.969
681 2HG2 THR 85 2HG2 THR 85 9.184 -5.339 -4.557
682 3HG2 THR 85 3HG2 THR 85 10.077 -6.167 -3.280
683 H ALA 86 H ALA 86 5.887 -5.294 -0.840
684 HA ALA 86 HA ALA 86 7.098 -2.782 -0.180
685 1HB ALA 86 1HB ALA 86 4.874 -2.896 -1.184
686 2HB ALA 86 2HB ALA 86 4.832 -2.066 0.372
687 3HB ALA 86 3HB ALA 86 4.268 -3.732 0.246
688 H LEU 87 H LEU 87 6.221 -5.626 1.579
689 HA LEU 87 HA LEU 87 6.162 -4.253 4.147
690 1HB LEU 87 2HB LEU 87 4.612 -6.185 3.437
691 2HB LEU 87 1HB LEU 87 5.996 -7.228 3.673
692 HG LEU 87 HG LEU 87 4.353 -7.163 5.570
693 1HD1 LEU 87 1HD1 LEU 87 7.156 -6.287 6.245
694 2HD1 LEU 87 2HD1 LEU 87 6.645 -7.940 5.907
695 3HD1 LEU 87 3HD1 LEU 87 6.026 -7.100 7.329
696 1HD2 LEU 87 1HD2 LEU 87 4.462 -5.237 7.091
697 2HD2 LEU 87 2HD2 LEU 87 3.790 -4.816 5.516
698 3HD2 LEU 87 3HD2 LEU 87 5.453 -4.381 5.911
699 H LYS 88 H LYS 88 8.058 -6.586 2.336
700 HA LYS 88 HA LYS 88 10.101 -7.052 4.189
701 1HB LYS 88 2HB LYS 88 9.707 -8.311 2.053
702 2HB LYS 88 1HB LYS 88 10.350 -6.929 1.178
703 1HG LYS 88 2HG LYS 88 12.491 -7.204 2.368
704 2HG LYS 88 1HG LYS 88 11.830 -8.638 3.159
705 1HD LYS 88 2HD LYS 88 11.516 -9.696 0.972
706 2HD LYS 88 1HD LYS 88 12.178 -8.263 0.184
707 1HE LYS 88 2HE LYS 88 13.629 -10.080 2.104
708 2HE LYS 88 1HE LYS 88 13.864 -10.004 0.358
709 1HZ LYS 88 1HZ LYS 88 15.580 -8.776 1.483
710 2HZ LYS 88 2HZ LYS 88 14.432 -7.834 2.300
711 3HZ LYS 88 3HZ LYS 88 14.595 -7.695 0.617
712 H LYS 89 H LYS 89 9.625 -4.496 1.797
713 HA LYS 89 HA LYS 89 12.111 -3.206 2.341
714 1HB LYS 89 2HB LYS 89 9.632 -2.430 0.870
715 2HB LYS 89 1HB LYS 89 10.787 -1.179 1.305
716 1HG LYS 89 2HG LYS 89 11.241 -3.570 -0.457
717 2HG LYS 89 1HG LYS 89 11.311 -1.862 -0.897
718 1HD LYS 89 2HD LYS 89 13.222 -1.627 0.716
719 2HD LYS 89 1HD LYS 89 13.211 -3.383 0.878
720 1HE LYS 89 2HE LYS 89 14.851 -2.975 -0.730
721 2HE LYS 89 1HE LYS 89 13.432 -3.432 -1.672
722 1HZ LYS 89 1HZ LYS 89 14.410 -0.667 -1.187
723 2HZ LYS 89 2HZ LYS 89 12.988 -1.054 -2.026
724 3HZ LYS 89 3HZ LYS 89 14.494 -1.521 -2.649
725 H TYR 90 H TYR 90 8.873 -2.965 3.664
726 HA TYR 90 HA TYR 90 9.306 -0.608 5.166
727 1HB TYR 90 2HB TYR 90 7.087 -1.694 4.592
728 2HB TYR 90 1HB TYR 90 7.408 -2.840 5.883
729 HD1 TYR 90 HD1 TYR 90 6.766 -2.309 8.092
730 HD2 TYR 90 HD2 TYR 90 7.050 0.793 5.195
731 HE1 TYR 90 HE1 TYR 90 5.760 -0.729 9.690
732 HE2 TYR 90 HE2 TYR 90 6.053 2.379 6.784
733 HH TYR 90 HH TYR 90 5.672 1.696 10.097
734 H ARG 91 H ARG 91 10.355 -3.843 5.573
735 HA ARG 91 HA ARG 91 11.185 -3.348 8.329
736 1HB ARG 91 2HB ARG 91 10.923 -5.723 6.607
737 2HB ARG 91 1HB ARG 91 12.337 -5.730 7.652
738 1HG ARG 91 2HG ARG 91 10.454 -6.857 8.704
739 2HG ARG 91 1HG ARG 91 10.915 -5.411 9.602
740 1HD ARG 91 2HD ARG 91 9.074 -4.184 8.546
741 2HD ARG 91 1HD ARG 91 8.610 -5.640 7.666
742 HE ARG 91 HE ARG 91 8.669 -6.286 10.382
743 1HH1 ARG 91 1HH1 ARG 91 6.835 -4.208 8.236
744 2HH1 ARG 91 2HH1 ARG 91 5.381 -4.291 9.188
745 1HH2 ARG 91 1HH2 ARG 91 6.753 -6.391 11.626
746 2HH2 ARG 91 2HH2 ARG 91 5.344 -5.524 11.106
747 H GLN 92 H GLN 92 12.628 -4.067 5.165
748 HA GLN 92 HA GLN 92 15.319 -3.955 5.984
749 1HB GLN 92 2HB GLN 92 14.695 -5.072 3.959
750 2HB GLN 92 1HB GLN 92 14.014 -3.598 3.291
751 1HG GLN 92 2HG GLN 92 16.226 -2.614 3.138
752 2HG GLN 92 1HG GLN 92 16.931 -4.051 3.878
753 1HE2 GLN 92 1HE2 GLN 92 18.242 -4.331 2.036
754 2HE2 GLN 92 2HE2 GLN 92 17.593 -4.977 0.563
755 H LEU 93 H LEU 93 13.133 -1.415 4.906
756 HA LEU 93 HA LEU 93 15.080 0.535 4.298
757 1HB LEU 93 2HB LEU 93 12.743 0.678 3.571
758 2HB LEU 93 1HB LEU 93 12.231 0.893 5.232
759 HG LEU 93 HG LEU 93 13.512 3.034 5.298
760 1HD1 LEU 93 1HD1 LEU 93 13.842 2.507 2.347
761 2HD1 LEU 93 2HD1 LEU 93 15.131 2.557 3.550
762 3HD1 LEU 93 3HD1 LEU 93 14.225 4.020 3.165
763 1HD2 LEU 93 1HD2 LEU 93 11.401 2.778 3.159
764 2HD2 LEU 93 2HD2 LEU 93 11.921 4.291 3.898
765 3HD2 LEU 93 3HD2 LEU 93 11.127 3.059 4.878
766 H LEU 94 H LEU 94 13.645 -0.496 7.299
767 HA LEU 94 HA LEU 94 14.604 1.786 8.790
768 1HB LEU 94 2HB LEU 94 13.139 -0.728 9.548
769 2HB LEU 94 1HB LEU 94 13.820 0.325 10.772
770 HG LEU 94 HG LEU 94 12.414 2.188 9.896
771 1HD1 LEU 94 1HD1 LEU 94 12.093 1.372 7.607
772 2HD1 LEU 94 2HD1 LEU 94 10.554 1.698 8.407
773 3HD1 LEU 94 3HD1 LEU 94 11.116 0.037 8.222
774 1HD2 LEU 94 1HD2 LEU 94 10.926 -0.293 10.739
775 2HD2 LEU 94 2HD2 LEU 94 10.316 1.358 10.833
776 3HD2 LEU 94 3HD2 LEU 94 11.699 0.871 11.811
777 H GLU 95 H GLU 95 16.750 1.130 7.753
778 HA GLU 95 HA GLU 95 18.203 -0.852 9.337
779 1HB GLU 95 2HB GLU 95 18.267 -0.392 6.690
780 2HB GLU 95 1HB GLU 95 19.519 0.737 7.186
781 1HG GLU 95 2HG GLU 95 19.486 -2.220 7.738
782 2HG GLU 95 1HG GLU 95 20.455 -1.402 6.519
783 H HIS 96 H HIS 96 19.444 -0.246 10.995
784 HA HIS 96 HA HIS 96 19.865 2.594 11.515
785 1HB HIS 96 2HB HIS 96 20.631 0.208 13.221
786 2HB HIS 96 1HB HIS 96 20.601 1.894 13.726
787 HD1 HIS 96 HD1 HIS 96 18.374 -1.024 13.023
788 HD2 HIS 96 HD2 HIS 96 18.045 2.919 14.310
789 HE1 HIS 96 HE1 HIS 96 16.028 -0.794 13.895
790 HE2 HIS 96 HE2 HIS 96 15.815 1.626 14.585
791 H HIS 97 H HIS 97 21.592 3.526 10.638
792 HA HIS 97 HA HIS 97 23.613 1.802 9.478
793 1HB HIS 97 2HB HIS 97 23.252 4.794 9.229
794 2HB HIS 97 1HB HIS 97 24.368 3.812 8.287
795 HD1 HIS 97 HD1 HIS 97 23.373 2.419 6.346
796 HD2 HIS 97 HD2 HIS 97 20.555 4.589 8.502
797 HE1 HIS 97 HE1 HIS 97 21.252 2.321 4.992
798 HE2 HIS 97 HE2 HIS 97 19.517 3.452 6.429
799 H HIS 98 H HIS 98 24.725 1.143 11.356
800 HA HIS 98 HA HIS 98 26.088 3.048 13.006
801 1HB HIS 98 2HB HIS 98 26.293 0.059 12.693
802 2HB HIS 98 1HB HIS 98 27.425 0.953 13.698
803 HD1 HIS 98 HD1 HIS 98 24.954 -1.155 14.442
804 HD2 HIS 98 HD2 HIS 98 25.293 2.920 15.221
805 HE1 HIS 98 HE1 HIS 98 23.432 -0.703 16.389
806 HE2 HIS 98 HE2 HIS 98 23.791 1.724 16.955
807 H HIS 99 H HIS 99 28.132 3.824 12.835
808 HA HIS 99 HA HIS 99 29.735 2.935 10.538
809 1HB HIS 99 2HB HIS 99 28.970 5.760 11.248
810 2HB HIS 99 1HB HIS 99 30.405 5.411 10.290
811 HD1 HIS 99 HD1 HIS 99 26.953 6.227 9.884
812 HD2 HIS 99 HD2 HIS 99 29.628 3.738 7.902
813 HE1 HIS 99 HE1 HIS 99 25.945 5.825 7.617
814 HE2 HIS 99 HE2 HIS 99 27.668 4.458 6.376
815 H HIS 100 H HIS 100 30.015 5.320 13.173
816 HA HIS 100 HA HIS 100 32.791 4.779 13.527
817 1HB HIS 100 2HB HIS 100 31.620 6.968 14.021
818 2HB HIS 100 1HB HIS 100 30.971 6.206 15.466
819 HD1 HIS 100 HD1 HIS 100 34.113 7.585 14.005
820 HD2 HIS 100 HD2 HIS 100 32.830 5.834 17.555
821 HE1 HIS 100 HE1 HIS 100 35.959 7.979 15.665
822 HE2 HIS 100 HE2 HIS 100 35.218 6.813 17.770
823 H HIS 101 H HIS 101 29.842 3.605 14.949
824 HA HIS 101 HA HIS 101 31.154 1.347 16.048
825 1HB HIS 101 2HB HIS 101 31.446 3.355 17.760
826 2HB HIS 101 1HB HIS 101 29.781 2.946 18.174
827 HD1 HIS 101 HD1 HIS 101 29.687 0.022 18.304
828 HD2 HIS 101 HD2 HIS 101 33.058 2.121 19.522
829 HE1 HIS 101 HE1 HIS 101 30.925 -1.527 19.853
830 HE2 HIS 101 HE2 HIS 101 33.082 -0.322 20.356
Start of MODEL 8
1 1H MET 1 1H MET 1 19.079 9.133 -16.747
2 2H MET 1 2H MET 1 19.056 9.935 -18.242
3 3H MET 1 3H MET 1 17.825 10.211 -17.112
4 HA MET 1 HA MET 1 20.670 10.875 -16.677
5 1HB MET 1 2HB MET 1 18.337 12.642 -17.438
6 2HB MET 1 1HB MET 1 19.894 13.243 -16.890
7 1HG MET 1 2HG MET 1 20.971 12.170 -18.819
8 2HG MET 1 1HG MET 1 19.389 11.623 -19.375
9 1HE MET 1 1HE MET 1 20.361 14.439 -21.936
10 2HE MET 1 2HE MET 1 19.919 12.743 -21.734
11 3HE MET 1 3HE MET 1 21.471 13.327 -21.134
12 H MET 2 H MET 2 21.080 10.804 -14.603
13 HA MET 2 HA MET 2 20.929 10.946 -12.348
14 1HB MET 2 2HB MET 2 18.562 12.704 -12.974
15 2HB MET 2 1HB MET 2 19.112 12.384 -11.338
16 1HG MET 2 2HG MET 2 21.284 13.361 -11.877
17 2HG MET 2 1HG MET 2 20.728 13.686 -13.518
18 1HE MET 2 1HE MET 2 21.970 15.881 -11.469
19 2HE MET 2 2HE MET 2 20.920 17.248 -11.838
20 3HE MET 2 3HE MET 2 21.519 16.218 -13.141
21 H PHE 3 H PHE 3 17.552 10.728 -13.463
22 HA PHE 3 HA PHE 3 17.050 8.580 -11.575
23 1HB PHE 3 2HB PHE 3 15.255 9.932 -13.606
24 2HB PHE 3 1HB PHE 3 14.727 8.670 -12.497
25 HD1 PHE 3 HD1 PHE 3 15.659 12.177 -12.843
26 HD2 PHE 3 HD2 PHE 3 14.508 9.118 -10.116
27 HE1 PHE 3 HE1 PHE 3 15.171 13.882 -11.137
28 HE2 PHE 3 HE2 PHE 3 14.013 10.816 -8.409
29 HZ PHE 3 HZ PHE 3 14.346 13.205 -8.917
30 H LEU 4 H LEU 4 16.202 6.510 -12.283
31 HA LEU 4 HA LEU 4 17.856 5.400 -14.294
32 1HB LEU 4 2HB LEU 4 15.559 4.224 -12.734
33 2HB LEU 4 1HB LEU 4 16.527 3.300 -13.862
34 HG LEU 4 HG LEU 4 18.544 3.974 -12.425
35 1HD1 LEU 4 1HD1 LEU 4 18.030 4.451 -10.074
36 2HD1 LEU 4 2HD1 LEU 4 16.326 4.626 -10.491
37 3HD1 LEU 4 3HD1 LEU 4 17.515 5.753 -11.145
38 1HD2 LEU 4 1HD2 LEU 4 18.110 2.161 -10.831
39 2HD2 LEU 4 2HD2 LEU 4 17.665 1.723 -12.480
40 3HD2 LEU 4 3HD2 LEU 4 16.414 2.156 -11.313
41 H ARG 5 H ARG 5 14.648 6.676 -14.342
42 HA ARG 5 HA ARG 5 14.500 5.962 -17.178
43 1HB ARG 5 2HB ARG 5 12.960 4.501 -15.870
44 2HB ARG 5 1HB ARG 5 12.117 5.943 -15.320
45 1HG ARG 5 2HG ARG 5 11.414 6.460 -17.551
46 2HG ARG 5 1HG ARG 5 12.413 5.168 -18.213
47 1HD ARG 5 2HD ARG 5 11.051 3.510 -17.028
48 2HD ARG 5 1HD ARG 5 10.055 4.809 -16.369
49 HE ARG 5 HE ARG 5 9.910 5.200 -19.053
50 1HH1 ARG 5 1HH1 ARG 5 9.364 2.398 -17.011
51 2HH1 ARG 5 2HH1 ARG 5 8.120 1.747 -18.033
52 1HH2 ARG 5 1HH2 ARG 5 8.290 4.339 -20.396
53 2HH2 ARG 5 2HH2 ARG 5 7.503 2.853 -19.963
54 H LYS 6 H LYS 6 12.346 7.823 -15.039
55 HA LYS 6 HA LYS 6 13.394 10.306 -15.997
56 1HB LYS 6 2HB LYS 6 11.879 9.558 -17.872
57 2HB LYS 6 1HB LYS 6 10.532 9.708 -16.755
58 1HG LYS 6 2HG LYS 6 11.029 12.081 -16.465
59 2HG LYS 6 1HG LYS 6 12.383 11.934 -17.583
60 1HD LYS 6 2HD LYS 6 10.780 11.190 -19.333
61 2HD LYS 6 1HD LYS 6 9.466 11.525 -18.206
62 1HE LYS 6 2HE LYS 6 9.749 13.395 -19.713
63 2HE LYS 6 1HE LYS 6 10.195 13.869 -18.076
64 1HZ LYS 6 1HZ LYS 6 11.757 14.676 -19.766
65 2HZ LYS 6 2HZ LYS 6 12.123 13.079 -20.197
66 3HZ LYS 6 3HZ LYS 6 12.514 13.651 -18.646
67 H VAL 7 H VAL 7 10.025 9.765 -15.068
68 HA VAL 7 HA VAL 7 8.774 10.856 -13.498
69 HB VAL 7 HB VAL 7 11.002 10.066 -11.608
70 1HG1 VAL 7 1HG1 VAL 7 9.267 11.518 -10.655
71 2HG1 VAL 7 2HG1 VAL 7 9.216 9.899 -9.956
72 3HG1 VAL 7 3HG1 VAL 7 8.029 10.371 -11.173
73 1HG2 VAL 7 1HG2 VAL 7 8.690 8.398 -12.598
74 2HG2 VAL 7 2HG2 VAL 7 9.853 7.924 -11.358
75 3HG2 VAL 7 3HG2 VAL 7 10.384 8.166 -13.023
76 H GLU 8 H GLU 8 9.826 12.706 -14.878
77 HA GLU 8 HA GLU 8 11.562 14.461 -13.345
78 1HB GLU 8 2HB GLU 8 12.039 13.986 -15.714
79 2HB GLU 8 1HB GLU 8 10.490 14.681 -16.158
80 1HG GLU 8 2HG GLU 8 11.229 16.858 -15.339
81 2HG GLU 8 1HG GLU 8 12.785 16.156 -14.891
82 H GLY 9 H GLY 9 8.547 14.801 -15.193
83 1HA GLY 9 2HA GLY 9 7.826 17.174 -13.690
84 2HA GLY 9 1HA GLY 9 6.919 16.463 -15.018
85 HA PRO 10 HA PRO 10 4.272 14.427 -12.102
86 1HB PRO 10 2HB PRO 10 4.326 11.823 -13.337
87 2HB PRO 10 1HB PRO 10 3.086 13.071 -13.470
88 1HG PRO 10 2HG PRO 10 4.712 12.277 -15.534
89 2HG PRO 10 1HG PRO 10 3.927 13.862 -15.438
90 1HD PRO 10 2HD PRO 10 6.744 13.091 -14.809
91 2HD PRO 10 1HD PRO 10 6.125 14.563 -15.586
92 H ARG 11 H ARG 11 4.744 13.782 -10.083
93 HA ARG 11 HA ARG 11 6.900 11.908 -9.623
94 1HB ARG 11 2HB ARG 11 6.508 13.781 -8.042
95 2HB ARG 11 1HB ARG 11 4.952 13.071 -7.623
96 1HG ARG 11 2HG ARG 11 6.508 10.953 -7.167
97 2HG ARG 11 1HG ARG 11 7.681 12.237 -6.868
98 1HD ARG 11 2HD ARG 11 6.169 13.261 -5.265
99 2HD ARG 11 1HD ARG 11 4.968 12.014 -5.597
100 HE ARG 11 HE ARG 11 7.196 10.635 -4.811
101 1HH1 ARG 11 1HH1 ARG 11 5.239 13.175 -3.386
102 2HH1 ARG 11 2HH1 ARG 11 5.514 12.642 -1.748
103 1HH2 ARG 11 1HH2 ARG 11 7.546 9.928 -2.654
104 2HH2 ARG 11 2HH2 ARG 11 6.841 10.808 -1.334
105 H SER 12 H SER 12 6.125 10.147 -10.714
106 HA SER 12 HA SER 12 3.920 8.707 -9.410
107 1HB SER 12 2HB SER 12 4.776 8.484 -12.310
108 2HB SER 12 1HB SER 12 3.404 7.672 -11.555
109 HG SER 12 HG SER 12 2.273 9.461 -11.652
110 H VAL 13 H VAL 13 4.233 6.518 -8.991
111 HA VAL 13 HA VAL 13 7.046 5.678 -9.142
112 HB VAL 13 HB VAL 13 6.394 4.026 -7.332
113 1HG1 VAL 13 1HG1 VAL 13 6.186 6.977 -6.738
114 2HG1 VAL 13 2HG1 VAL 13 7.672 6.034 -6.850
115 3HG1 VAL 13 3HG1 VAL 13 6.523 5.716 -5.551
116 1HG2 VAL 13 1HG2 VAL 13 3.969 4.104 -7.652
117 2HG2 VAL 13 2HG2 VAL 13 3.956 5.799 -7.163
118 3HG2 VAL 13 3HG2 VAL 13 4.409 4.548 -6.004
119 H THR 14 H THR 14 7.622 3.934 -10.266
120 HA THR 14 HA THR 14 5.540 2.492 -11.711
121 HB THR 14 HB THR 14 8.538 2.243 -12.044
122 HG1 THR 14 HG1 THR 14 6.879 4.280 -12.675
123 1HG2 THR 14 1HG2 THR 14 7.187 0.396 -12.978
124 2HG2 THR 14 2HG2 THR 14 7.960 1.349 -14.246
125 3HG2 THR 14 3HG2 THR 14 6.245 1.568 -13.901
126 H LEU 15 H LEU 15 4.727 0.768 -10.749
127 HA LEU 15 HA LEU 15 6.243 -0.689 -8.761
128 1HB LEU 15 2HB LEU 15 3.473 -1.217 -9.848
129 2HB LEU 15 1HB LEU 15 4.178 -1.943 -8.416
130 HG LEU 15 HG LEU 15 3.509 0.981 -8.756
131 1HD1 LEU 15 1HD1 LEU 15 1.769 0.551 -7.115
132 2HD1 LEU 15 2HD1 LEU 15 2.193 -1.162 -7.096
133 3HD1 LEU 15 3HD1 LEU 15 1.532 -0.430 -8.560
134 1HD2 LEU 15 1HD2 LEU 15 4.019 1.135 -6.354
135 2HD2 LEU 15 2HD2 LEU 15 5.433 0.690 -7.312
136 3HD2 LEU 15 3HD2 LEU 15 4.579 -0.538 -6.380
137 HA PRO 16 HA PRO 16 7.681 -4.005 -11.337
138 1HB PRO 16 2HB PRO 16 7.188 -6.193 -9.757
139 2HB PRO 16 1HB PRO 16 8.551 -5.094 -9.523
140 1HG PRO 16 2HG PRO 16 5.914 -5.174 -8.114
141 2HG PRO 16 1HG PRO 16 7.536 -4.910 -7.444
142 1HD PRO 16 2HD PRO 16 5.829 -2.879 -7.866
143 2HD PRO 16 1HD PRO 16 7.577 -2.688 -8.097
144 H ASP 17 H ASP 17 4.459 -3.643 -10.524
145 HA ASP 17 HA ASP 17 3.429 -5.990 -11.851
146 1HB ASP 17 2HB ASP 17 2.156 -5.032 -10.009
147 2HB ASP 17 1HB ASP 17 2.077 -3.479 -10.831
148 H GLY 18 H GLY 18 4.509 -2.875 -12.735
149 1HA GLY 18 2HA GLY 18 4.830 -2.245 -15.016
150 2HA GLY 18 1HA GLY 18 3.446 -3.244 -15.455
151 H SER 19 H SER 19 2.033 -2.143 -13.047
152 HA SER 19 HA SER 19 0.826 0.117 -14.346
153 1HB SER 19 2HB SER 19 0.286 -1.059 -11.607
154 2HB SER 19 1HB SER 19 -0.752 0.065 -12.487
155 HG SER 19 HG SER 19 -0.382 -2.670 -12.824
156 H ILE 20 H ILE 20 1.132 2.221 -13.888
157 HA ILE 20 HA ILE 20 3.138 2.890 -11.868
158 HB ILE 20 HB ILE 20 3.102 5.164 -12.897
159 1HG1 ILE 20 2HG1 ILE 20 1.347 3.850 -14.989
160 2HG1 ILE 20 1HG1 ILE 20 0.797 5.041 -13.816
161 1HG2 ILE 20 1HG2 ILE 20 4.774 3.533 -13.543
162 2HG2 ILE 20 2HG2 ILE 20 4.304 4.508 -14.937
163 3HG2 ILE 20 3HG2 ILE 20 3.687 2.864 -14.759
164 1HD1 ILE 20 1HD1 ILE 20 2.843 5.501 -15.974
165 2HD1 ILE 20 2HD1 ILE 20 2.303 6.694 -14.795
166 3HD1 ILE 20 3HD1 ILE 20 1.168 6.057 -15.986
167 H MET 21 H MET 21 2.689 4.024 -10.064
168 HA MET 21 HA MET 21 -0.144 4.657 -9.616
169 1HB MET 21 2HB MET 21 2.049 3.840 -7.730
170 2HB MET 21 1HB MET 21 0.585 4.627 -7.151
171 1HG MET 21 2HG MET 21 0.681 2.056 -8.711
172 2HG MET 21 1HG MET 21 0.472 2.200 -6.968
173 1HE MET 21 1HE MET 21 -1.626 3.254 -5.800
174 2HE MET 21 2HE MET 21 -2.996 3.950 -6.668
175 3HE MET 21 3HE MET 21 -1.423 4.747 -6.721
176 H THR 22 H THR 22 -0.771 6.613 -9.102
177 HA THR 22 HA THR 22 1.249 8.681 -8.545
178 HB THR 22 HB THR 22 -1.262 9.393 -10.014
179 HG1 THR 22 HG1 THR 22 -0.661 7.897 -11.442
180 1HG2 THR 22 1HG2 THR 22 0.223 11.065 -11.041
181 2HG2 THR 22 2HG2 THR 22 1.587 10.388 -10.149
182 3HG2 THR 22 3HG2 THR 22 0.260 11.155 -9.279
183 H ARG 23 H ARG 23 0.274 10.574 -7.371
184 HA ARG 23 HA ARG 23 -1.301 9.708 -5.187
185 1HB ARG 23 2HB ARG 23 0.318 11.560 -5.036
186 2HB ARG 23 1HB ARG 23 -0.694 12.530 -6.095
187 1HG ARG 23 2HG ARG 23 -2.362 12.773 -4.471
188 2HG ARG 23 1HG ARG 23 -1.720 11.455 -3.491
189 1HD ARG 23 2HD ARG 23 -1.244 13.641 -2.498
190 2HD ARG 23 1HD ARG 23 0.231 12.785 -2.938
191 HE ARG 23 HE ARG 23 0.448 14.277 -4.831
192 1HH1 ARG 23 1HH1 ARG 23 -1.912 15.209 -2.412
193 2HH1 ARG 23 2HH1 ARG 23 -1.837 16.899 -2.798
194 1HH2 ARG 23 1HH2 ARG 23 0.567 16.503 -5.325
195 2HH2 ARG 23 2HH2 ARG 23 -0.413 17.637 -4.451
196 H ALA 24 H ALA 24 -2.179 10.576 -8.311
197 HA ALA 24 HA ALA 24 -4.873 11.424 -7.592
198 1HB ALA 24 1HB ALA 24 -3.736 12.630 -9.376
199 2HB ALA 24 2HB ALA 24 -5.168 11.803 -9.992
200 3HB ALA 24 3HB ALA 24 -3.565 11.132 -10.292
201 H ASP 25 H ASP 25 -3.234 8.546 -8.148
202 HA ASP 25 HA ASP 25 -5.520 7.174 -9.362
203 1HB ASP 25 2HB ASP 25 -2.685 6.325 -8.778
204 2HB ASP 25 1HB ASP 25 -3.922 5.181 -9.290
205 H LEU 26 H LEU 26 -4.348 7.895 -6.331
206 HA LEU 26 HA LEU 26 -4.875 5.484 -4.934
207 1HB LEU 26 2HB LEU 26 -4.858 8.318 -3.892
208 2HB LEU 26 1HB LEU 26 -4.731 6.862 -2.925
209 HG LEU 26 HG LEU 26 -2.692 7.666 -4.995
210 1HD1 LEU 26 1HD1 LEU 26 -1.315 8.375 -3.095
211 2HD1 LEU 26 2HD1 LEU 26 -2.684 8.105 -2.014
212 3HD1 LEU 26 3HD1 LEU 26 -2.774 9.351 -3.260
213 1HD2 LEU 26 1HD2 LEU 26 -1.280 6.046 -3.817
214 2HD2 LEU 26 2HD2 LEU 26 -2.728 5.289 -4.482
215 3HD2 LEU 26 3HD2 LEU 26 -2.631 5.644 -2.758
216 HA PRO 27 HA PRO 27 -9.353 5.755 -4.517
217 1HB PRO 27 2HB PRO 27 -8.883 4.168 -2.068
218 2HB PRO 27 1HB PRO 27 -9.884 3.795 -3.473
219 1HG PRO 27 2HG PRO 27 -7.589 2.508 -3.028
220 2HG PRO 27 1HG PRO 27 -8.123 2.916 -4.665
221 1HD PRO 27 2HD PRO 27 -6.068 4.271 -2.954
222 2HD PRO 27 1HD PRO 27 -6.029 3.924 -4.697
223 HA PRO 28 HA PRO 28 -9.050 9.120 -1.511
224 1HB PRO 28 2HB PRO 28 -11.684 9.901 -2.474
225 2HB PRO 28 1HB PRO 28 -10.146 10.752 -2.634
226 1HG PRO 28 2HG PRO 28 -11.429 9.623 -4.741
227 2HG PRO 28 1HG PRO 28 -9.666 9.775 -4.651
228 1HD PRO 28 2HD PRO 28 -11.389 7.386 -4.115
229 2HD PRO 28 1HD PRO 28 -9.836 7.487 -4.971
230 H ALA 29 H ALA 29 -9.517 6.976 -0.186
231 HA ALA 29 HA ALA 29 -10.438 6.197 1.729
232 1HB ALA 29 1HB ALA 29 -12.317 8.550 1.600
233 2HB ALA 29 2HB ALA 29 -10.735 8.545 2.381
234 3HB ALA 29 3HB ALA 29 -12.025 7.512 2.997
235 H ASN 30 H ASN 30 -13.051 7.410 -0.383
236 HA ASN 30 HA ASN 30 -14.518 4.945 0.174
237 1HB ASN 30 2HB ASN 30 -16.408 6.140 -1.053
238 2HB ASN 30 1HB ASN 30 -15.929 6.798 0.504
239 1HD2 ASN 30 1HD2 ASN 30 -16.772 8.798 0.061
240 2HD2 ASN 30 2HD2 ASN 30 -16.049 9.900 -1.067
241 H THR 31 H THR 31 -13.306 6.827 -2.563
242 HA THR 31 HA THR 31 -12.700 6.298 -4.666
243 HB THR 31 HB THR 31 -11.545 4.383 -3.264
244 HG1 THR 31 HG1 THR 31 -11.565 5.133 -5.874
245 1HG2 THR 31 1HG2 THR 31 -12.019 2.161 -4.149
246 2HG2 THR 31 2HG2 THR 31 -13.357 2.808 -5.101
247 3HG2 THR 31 3HG2 THR 31 -13.442 2.818 -3.339
248 H ARG 32 H ARG 32 -15.570 5.384 -3.434
249 HA ARG 32 HA ARG 32 -17.629 5.242 -4.307
250 1HB ARG 32 2HB ARG 32 -16.353 5.415 -7.035
251 2HB ARG 32 1HB ARG 32 -18.058 5.637 -6.662
252 1HG ARG 32 2HG ARG 32 -17.284 7.542 -5.135
253 2HG ARG 32 1HG ARG 32 -15.742 7.413 -5.979
254 1HD ARG 32 2HD ARG 32 -16.928 9.096 -7.108
255 2HD ARG 32 1HD ARG 32 -17.068 7.663 -8.129
256 HE ARG 32 HE ARG 32 -19.330 7.387 -7.280
257 1HH1 ARG 32 1HH1 ARG 32 -17.799 10.498 -6.749
258 2HH1 ARG 32 2HH1 ARG 32 -19.297 11.342 -6.523
259 1HH2 ARG 32 1HH2 ARG 32 -21.306 8.502 -6.993
260 2HH2 ARG 32 2HH2 ARG 32 -21.288 10.214 -6.656
261 H ARG 33 H ARG 33 -15.204 3.131 -5.761
262 HA ARG 33 HA ARG 33 -16.890 0.878 -5.098
263 1HB ARG 33 2HB ARG 33 -17.616 1.384 -7.396
264 2HB ARG 33 1HB ARG 33 -15.949 1.265 -7.944
265 1HG ARG 33 2HG ARG 33 -15.887 -1.080 -7.292
266 2HG ARG 33 1HG ARG 33 -17.550 -0.969 -6.712
267 1HD ARG 33 2HD ARG 33 -18.264 -0.368 -8.998
268 2HD ARG 33 1HD ARG 33 -16.603 -0.591 -9.550
269 HE ARG 33 HE ARG 33 -17.106 -2.964 -8.416
270 1HH1 ARG 33 1HH1 ARG 33 -19.032 -1.038 -10.617
271 2HH1 ARG 33 2HH1 ARG 33 -19.776 -2.416 -11.382
272 1HH2 ARG 33 1HH2 ARG 33 -18.078 -4.786 -9.432
273 2HH2 ARG 33 2HH2 ARG 33 -19.218 -4.531 -10.720
274 H TRP 34 H TRP 34 -15.585 -0.333 -3.950
275 HA TRP 34 HA TRP 34 -12.711 -0.352 -4.434
276 1HB TRP 34 2HB TRP 34 -14.468 -1.615 -2.320
277 2HB TRP 34 1HB TRP 34 -12.751 -1.974 -2.455
278 HD1 TRP 34 HD1 TRP 34 -15.161 0.657 -1.215
279 HE1 TRP 34 HE1 TRP 34 -13.843 2.495 0.015
280 HE3 TRP 34 HE3 TRP 34 -10.419 -0.762 -2.492
281 HZ2 TRP 34 HZ2 TRP 34 -11.144 3.242 0.392
282 HZ3 TRP 34 HZ3 TRP 34 -8.523 0.565 -1.652
283 HH2 TRP 34 HH2 TRP 34 -8.881 2.525 -0.241
284 H VAL 35 H VAL 35 -11.761 -1.787 -5.697
285 HA VAL 35 HA VAL 35 -12.898 -4.491 -5.873
286 HB VAL 35 HB VAL 35 -11.794 -4.738 -8.081
287 1HG1 VAL 35 1HG1 VAL 35 -14.149 -4.185 -8.002
288 2HG1 VAL 35 2HG1 VAL 35 -13.382 -3.369 -9.366
289 3HG1 VAL 35 3HG1 VAL 35 -13.767 -2.466 -7.901
290 1HG2 VAL 35 1HG2 VAL 35 -11.270 -1.775 -7.830
291 2HG2 VAL 35 2HG2 VAL 35 -11.039 -2.738 -9.291
292 3HG2 VAL 35 3HG2 VAL 35 -10.057 -3.055 -7.863
293 H ALA 36 H ALA 36 -11.012 -6.088 -6.530
294 HA ALA 36 HA ALA 36 -9.299 -6.184 -4.329
295 1HB ALA 36 1HB ALA 36 -9.925 -8.152 -5.639
296 2HB ALA 36 2HB ALA 36 -8.176 -8.021 -5.459
297 3HB ALA 36 3HB ALA 36 -8.942 -7.569 -6.982
298 H SER 37 H SER 37 -8.573 -5.197 -7.677
299 HA SER 37 HA SER 37 -5.833 -4.717 -7.204
300 1HB SER 37 2HB SER 37 -5.966 -3.390 -9.349
301 2HB SER 37 1HB SER 37 -6.542 -5.053 -9.454
302 HG SER 37 HG SER 37 -8.606 -4.359 -9.559
303 H ARG 38 H ARG 38 -8.671 -2.720 -6.750
304 HA ARG 38 HA ARG 38 -7.401 -0.229 -6.431
305 1HB ARG 38 2HB ARG 38 -9.978 -1.395 -5.458
306 2HB ARG 38 1HB ARG 38 -9.417 0.113 -4.751
307 1HG ARG 38 2HG ARG 38 -9.732 -0.280 -7.712
308 2HG ARG 38 1HG ARG 38 -11.033 0.304 -6.670
309 1HD ARG 38 2HD ARG 38 -9.711 2.210 -6.008
310 2HD ARG 38 1HD ARG 38 -8.321 1.603 -6.911
311 HE ARG 38 HE ARG 38 -10.465 1.864 -8.690
312 1HH1 ARG 38 1HH1 ARG 38 -8.400 3.893 -6.713
313 2HH1 ARG 38 2HH1 ARG 38 -8.521 5.271 -7.758
314 1HH2 ARG 38 1HH2 ARG 38 -10.616 3.673 -10.076
315 2HH2 ARG 38 2HH2 ARG 38 -9.783 5.138 -9.678
316 H LYS 39 H LYS 39 -8.080 -2.844 -4.168
317 HA LYS 39 HA LYS 39 -7.112 -1.517 -1.861
318 1HB LYS 39 2HB LYS 39 -7.491 -4.445 -2.484
319 2HB LYS 39 1HB LYS 39 -7.090 -3.825 -0.888
320 1HG LYS 39 2HG LYS 39 -9.171 -2.553 -0.853
321 2HG LYS 39 1HG LYS 39 -9.571 -3.155 -2.461
322 1HD LYS 39 2HD LYS 39 -9.835 -5.366 -1.671
323 2HD LYS 39 1HD LYS 39 -9.064 -4.988 -0.130
324 1HE LYS 39 2HE LYS 39 -10.943 -3.503 0.425
325 2HE LYS 39 1HE LYS 39 -11.720 -3.938 -1.097
326 1HZ LYS 39 1HZ LYS 39 -12.154 -6.072 -0.367
327 2HZ LYS 39 2HZ LYS 39 -12.378 -5.169 1.056
328 3HZ LYS 39 3HZ LYS 39 -10.945 -6.037 0.821
329 H ILE 40 H ILE 40 -5.650 -3.934 -4.012
330 HA ILE 40 HA ILE 40 -3.145 -4.068 -2.758
331 HB ILE 40 HB ILE 40 -3.757 -4.491 -5.689
332 1HG1 ILE 40 2HG1 ILE 40 -5.238 -5.847 -4.322
333 2HG1 ILE 40 1HG1 ILE 40 -4.023 -6.876 -5.071
334 1HG2 ILE 40 1HG2 ILE 40 -1.825 -6.033 -5.608
335 2HG2 ILE 40 2HG2 ILE 40 -1.500 -5.490 -3.960
336 3HG2 ILE 40 3HG2 ILE 40 -1.387 -4.353 -5.305
337 1HD1 ILE 40 1HD1 ILE 40 -3.997 -5.897 -2.225
338 2HD1 ILE 40 2HD1 ILE 40 -2.784 -6.935 -2.973
339 3HD1 ILE 40 3HD1 ILE 40 -4.435 -7.517 -2.766
340 H ALA 41 H ALA 41 -4.508 -1.781 -5.000
341 HA ALA 41 HA ALA 41 -2.071 -0.502 -5.730
342 1HB ALA 41 1HB ALA 41 -3.474 1.279 -6.598
343 2HB ALA 41 2HB ALA 41 -4.874 0.599 -5.767
344 3HB ALA 41 3HB ALA 41 -4.105 -0.297 -7.077
345 H VAL 42 H VAL 42 -4.255 -0.210 -3.013
346 HA VAL 42 HA VAL 42 -3.359 2.358 -2.168
347 HB VAL 42 HB VAL 42 -4.516 0.267 -0.319
348 1HG1 VAL 42 1HG1 VAL 42 -3.599 2.301 0.709
349 2HG1 VAL 42 2HG1 VAL 42 -5.349 2.190 0.906
350 3HG1 VAL 42 3HG1 VAL 42 -4.666 3.279 -0.302
351 1HG2 VAL 42 1HG2 VAL 42 -6.728 1.146 -0.863
352 2HG2 VAL 42 2HG2 VAL 42 -5.960 0.417 -2.273
353 3HG2 VAL 42 3HG2 VAL 42 -6.017 2.171 -2.107
354 H VAL 43 H VAL 43 -2.629 -0.949 -1.023
355 HA VAL 43 HA VAL 43 -0.726 -0.247 0.894
356 HB VAL 43 HB VAL 43 0.301 -2.618 -0.001
357 1HG1 VAL 43 1HG1 VAL 43 -1.999 -2.105 1.867
358 2HG1 VAL 43 2HG1 VAL 43 -0.287 -2.212 2.269
359 3HG1 VAL 43 3HG1 VAL 43 -1.162 -3.650 1.738
360 1HG2 VAL 43 1HG2 VAL 43 -2.647 -2.624 -0.643
361 2HG2 VAL 43 2HG2 VAL 43 -1.624 -4.057 -0.544
362 3HG2 VAL 43 3HG2 VAL 43 -1.321 -2.842 -1.788
363 H ARG 44 H ARG 44 -0.124 -1.199 -2.500
364 HA ARG 44 HA ARG 44 2.678 -0.750 -2.348
365 1HB ARG 44 2HB ARG 44 0.842 -0.845 -4.744
366 2HB ARG 44 1HB ARG 44 2.597 -0.847 -4.826
367 1HG ARG 44 2HG ARG 44 2.667 -2.959 -3.622
368 2HG ARG 44 1HG ARG 44 0.907 -2.951 -3.490
369 1HD ARG 44 2HD ARG 44 2.495 -3.033 -6.053
370 2HD ARG 44 1HD ARG 44 1.648 -4.393 -5.313
371 HE ARG 44 HE ARG 44 -0.083 -2.174 -5.788
372 1HH1 ARG 44 1HH1 ARG 44 1.483 -4.894 -7.357
373 2HH1 ARG 44 2HH1 ARG 44 0.226 -5.078 -8.544
374 1HH2 ARG 44 1HH2 ARG 44 -1.719 -2.413 -7.353
375 2HH2 ARG 44 2HH2 ARG 44 -1.607 -3.684 -8.535
376 H GLY 45 H GLY 45 -0.048 1.319 -3.076
377 1HA GLY 45 2HA GLY 45 1.392 3.427 -4.292
378 2HA GLY 45 1HA GLY 45 -0.190 3.560 -3.540
379 H VAL 46 H VAL 46 0.445 2.853 -0.909
380 HA VAL 46 HA VAL 46 1.644 5.342 -0.091
381 HB VAL 46 HB VAL 46 1.078 4.662 2.219
382 1HG1 VAL 46 1HG1 VAL 46 -1.134 4.426 0.186
383 2HG1 VAL 46 2HG1 VAL 46 -0.541 5.902 0.947
384 3HG1 VAL 46 3HG1 VAL 46 -1.380 4.689 1.913
385 1HG2 VAL 46 1HG2 VAL 46 -0.042 2.176 0.921
386 2HG2 VAL 46 2HG2 VAL 46 -0.284 2.656 2.600
387 3HG2 VAL 46 3HG2 VAL 46 1.332 2.248 2.026
388 H ILE 47 H ILE 47 2.431 1.901 0.291
389 HA ILE 47 HA ILE 47 4.623 2.318 2.038
390 HB ILE 47 HB ILE 47 3.870 -0.058 0.332
391 1HG1 ILE 47 2HG1 ILE 47 3.553 0.463 3.296
392 2HG1 ILE 47 1HG1 ILE 47 2.265 0.584 2.102
393 1HG2 ILE 47 1HG2 ILE 47 5.925 0.085 2.530
394 2HG2 ILE 47 2HG2 ILE 47 6.258 -0.132 0.815
395 3HG2 ILE 47 3HG2 ILE 47 5.391 -1.382 1.710
396 1HD1 ILE 47 1HD1 ILE 47 3.782 -1.916 2.814
397 2HD1 ILE 47 2HD1 ILE 47 2.488 -1.794 1.623
398 3HD1 ILE 47 3HD1 ILE 47 2.143 -1.507 3.327
399 H TYR 48 H TYR 48 4.387 2.018 -1.468
400 HA TYR 48 HA TYR 48 7.299 1.993 -1.708
401 1HB TYR 48 2HB TYR 48 5.799 0.466 -3.065
402 2HB TYR 48 1HB TYR 48 5.254 1.895 -3.933
403 HD1 TYR 48 HD1 TYR 48 6.917 3.187 -5.318
404 HD2 TYR 48 HD2 TYR 48 7.827 -0.592 -3.594
405 HE1 TYR 48 HE1 TYR 48 8.805 2.943 -6.878
406 HE2 TYR 48 HE2 TYR 48 9.724 -0.848 -5.144
407 HH TYR 48 HH TYR 48 10.294 0.111 -7.540
408 H GLY 49 H GLY 49 4.570 4.111 -2.164
409 1HA GLY 49 2HA GLY 49 6.214 5.941 -3.757
410 2HA GLY 49 1HA GLY 49 4.463 5.945 -3.687
411 H LEU 50 H LEU 50 3.946 6.134 -0.970
412 HA LEU 50 HA LEU 50 4.736 8.958 -0.810
413 1HB LEU 50 2HB LEU 50 2.220 7.611 0.138
414 2HB LEU 50 1HB LEU 50 2.588 9.311 0.359
415 HG LEU 50 HG LEU 50 2.216 7.909 -2.290
416 1HD1 LEU 50 1HD1 LEU 50 0.135 8.191 -1.079
417 2HD1 LEU 50 2HD1 LEU 50 0.205 9.293 -2.456
418 3HD1 LEU 50 3HD1 LEU 50 0.491 9.899 -0.824
419 1HD2 LEU 50 1HD2 LEU 50 2.702 10.830 -1.700
420 2HD2 LEU 50 2HD2 LEU 50 2.377 10.123 -3.284
421 3HD2 LEU 50 3HD2 LEU 50 3.865 9.721 -2.426
422 H ILE 51 H ILE 51 3.400 6.676 1.631
423 HA ILE 51 HA ILE 51 5.292 7.785 3.552
424 HB ILE 51 HB ILE 51 3.216 8.184 5.103
425 1HG1 ILE 51 2HG1 ILE 51 1.351 9.256 3.779
426 2HG1 ILE 51 1HG1 ILE 51 2.045 8.533 2.337
427 1HG2 ILE 51 1HG2 ILE 51 3.245 10.541 4.499
428 2HG2 ILE 51 2HG2 ILE 51 4.038 10.145 2.972
429 3HG2 ILE 51 3HG2 ILE 51 4.871 9.858 4.502
430 1HD1 ILE 51 1HD1 ILE 51 0.177 7.240 3.165
431 2HD1 ILE 51 2HD1 ILE 51 0.983 7.039 4.723
432 3HD1 ILE 51 3HD1 ILE 51 1.676 6.316 3.270
433 H THR 52 H THR 52 4.379 6.998 5.895
434 HA THR 52 HA THR 52 4.657 4.130 5.733
435 HB THR 52 HB THR 52 4.765 4.272 8.226
436 HG1 THR 52 HG1 THR 52 4.951 6.461 9.073
437 1HG2 THR 52 1HG2 THR 52 6.925 5.442 8.308
438 2HG2 THR 52 2HG2 THR 52 6.603 6.134 6.718
439 3HG2 THR 52 3HG2 THR 52 6.803 4.390 6.897
440 H LEU 53 H LEU 53 3.343 2.946 7.589
441 HA LEU 53 HA LEU 53 0.704 2.763 6.666
442 1HB LEU 53 2HB LEU 53 1.864 0.897 7.687
443 2HB LEU 53 1HB LEU 53 1.962 1.752 9.213
444 HG LEU 53 HG LEU 53 -0.473 1.640 9.449
445 1HD1 LEU 53 1HD1 LEU 53 -1.075 1.674 7.093
446 2HD1 LEU 53 2HD1 LEU 53 -1.797 0.284 7.906
447 3HD1 LEU 53 3HD1 LEU 53 -0.380 0.067 6.881
448 1HD2 LEU 53 1HD2 LEU 53 -0.660 -0.757 9.844
449 2HD2 LEU 53 2HD2 LEU 53 0.907 -0.147 10.383
450 3HD2 LEU 53 3HD2 LEU 53 0.782 -1.039 8.866
451 H ALA 54 H ALA 54 2.103 4.673 9.224
452 HA ALA 54 HA ALA 54 -0.181 5.114 10.787
453 1HB ALA 54 1HB ALA 54 0.996 7.044 11.681
454 2HB ALA 54 2HB ALA 54 2.144 6.987 10.344
455 3HB ALA 54 3HB ALA 54 2.094 5.673 11.520
456 H GLU 55 H GLU 55 1.215 7.181 8.242
457 HA GLU 55 HA GLU 55 -0.877 9.077 8.257
458 1HB GLU 55 2HB GLU 55 1.472 9.342 7.330
459 2HB GLU 55 1HB GLU 55 0.933 8.425 5.932
460 1HG GLU 55 2HG GLU 55 0.872 10.772 5.445
461 2HG GLU 55 1HG GLU 55 -0.774 10.140 5.497
462 H ALA 56 H ALA 56 -0.211 6.239 6.248
463 HA ALA 56 HA ALA 56 -2.429 6.397 4.520
464 1HB ALA 56 1HB ALA 56 -1.036 3.918 5.536
465 2HB ALA 56 2HB ALA 56 -0.522 4.894 4.160
466 3HB ALA 56 3HB ALA 56 -2.061 4.032 4.107
467 H LYS 57 H LYS 57 -2.268 5.301 7.872
468 HA LYS 57 HA LYS 57 -4.913 4.173 7.622
469 1HB LYS 57 2HB LYS 57 -3.036 4.458 9.943
470 2HB LYS 57 1HB LYS 57 -4.724 4.018 10.194
471 1HG LYS 57 2HG LYS 57 -4.233 2.224 8.363
472 2HG LYS 57 1HG LYS 57 -2.554 2.492 8.829
473 1HD LYS 57 2HD LYS 57 -4.689 1.893 10.854
474 2HD LYS 57 1HD LYS 57 -3.829 0.614 9.997
475 1HE LYS 57 2HE LYS 57 -1.699 1.532 10.832
476 2HE LYS 57 1HE LYS 57 -2.603 2.738 11.752
477 1HZ LYS 57 1HZ LYS 57 -2.972 -0.192 12.081
478 2HZ LYS 57 2HZ LYS 57 -3.585 1.044 13.072
479 3HZ LYS 57 3HZ LYS 57 -1.922 0.736 13.039
480 H GLN 58 H GLN 58 -3.506 7.171 8.752
481 HA GLN 58 HA GLN 58 -5.839 8.204 9.962
482 1HB GLN 58 2HB GLN 58 -3.534 9.646 8.653
483 2HB GLN 58 1HB GLN 58 -4.775 10.419 9.632
484 1HG GLN 58 2HG GLN 58 -4.090 9.117 11.558
485 2HG GLN 58 1HG GLN 58 -2.879 8.286 10.582
486 1HE2 GLN 58 1HE2 GLN 58 -1.187 8.979 11.845
487 2HE2 GLN 58 2HE2 GLN 58 -0.632 10.619 11.848
488 H THR 59 H THR 59 -4.640 8.290 6.639
489 HA THR 59 HA THR 59 -7.023 9.777 5.818
490 HB THR 59 HB THR 59 -4.696 8.910 4.095
491 HG1 THR 59 HG1 THR 59 -4.749 10.742 6.055
492 1HG2 THR 59 1HG2 THR 59 -6.732 9.513 2.871
493 2HG2 THR 59 2HG2 THR 59 -5.464 10.713 2.624
494 3HG2 THR 59 3HG2 THR 59 -6.797 11.054 3.728
495 H TYR 60 H TYR 60 -5.315 6.756 4.975
496 HA TYR 60 HA TYR 60 -7.650 5.927 3.425
497 1HB TYR 60 2HB TYR 60 -4.864 4.801 3.244
498 2HB TYR 60 1HB TYR 60 -6.199 4.528 2.129
499 HD1 TYR 60 HD1 TYR 60 -3.443 6.687 3.010
500 HD2 TYR 60 HD2 TYR 60 -7.004 6.429 0.693
501 HE1 TYR 60 HE1 TYR 60 -2.699 8.603 1.661
502 HE2 TYR 60 HE2 TYR 60 -6.261 8.338 -0.670
503 HH TYR 60 HH TYR 60 -4.764 10.257 -0.481
504 H GLY 61 H GLY 61 -7.134 5.619 6.407
505 1HA GLY 61 2HA GLY 61 -6.061 3.105 6.963
506 2HA GLY 61 1HA GLY 61 -7.003 4.078 8.068
507 H LEU 62 H LEU 62 -9.308 3.887 6.065
508 HA LEU 62 HA LEU 62 -11.314 2.811 6.446
509 1HB LEU 62 2HB LEU 62 -10.901 0.352 5.316
510 2HB LEU 62 1HB LEU 62 -11.301 1.825 4.460
511 HG LEU 62 HG LEU 62 -8.711 2.144 4.338
512 1HD1 LEU 62 1HD1 LEU 62 -8.062 0.333 5.793
513 2HD1 LEU 62 2HD1 LEU 62 -7.508 0.009 4.148
514 3HD1 LEU 62 3HD1 LEU 62 -8.928 -0.824 4.784
515 1HD2 LEU 62 1HD2 LEU 62 -8.667 0.910 2.240
516 2HD2 LEU 62 2HD2 LEU 62 -10.166 1.825 2.424
517 3HD2 LEU 62 3HD2 LEU 62 -10.155 0.080 2.695
518 H SER 63 H SER 63 -9.810 -0.317 6.578
519 HA SER 63 HA SER 63 -10.206 -0.410 9.489
520 1HB SER 63 2HB SER 63 -10.727 -2.686 7.554
521 2HB SER 63 1HB SER 63 -10.986 -2.710 9.299
522 HG SER 63 HG SER 63 -12.918 -2.335 8.067
523 H ASP 64 H ASP 64 -8.430 -1.100 10.595
524 HA ASP 64 HA ASP 64 -5.944 -1.443 9.347
525 1HB ASP 64 2HB ASP 64 -6.198 -0.805 11.717
526 2HB ASP 64 1HB ASP 64 -6.814 -2.412 12.082
527 H GLU 65 H GLU 65 -8.244 -3.805 10.598
528 HA GLU 65 HA GLU 65 -6.966 -6.185 10.024
529 1HB GLU 65 2HB GLU 65 -9.908 -5.706 9.508
530 2HB GLU 65 1HB GLU 65 -9.132 -7.223 9.932
531 1HG GLU 65 2HG GLU 65 -10.218 -6.544 11.875
532 2HG GLU 65 1HG GLU 65 -8.529 -6.122 12.139
533 H GLU 66 H GLU 66 -8.878 -4.125 7.896
534 HA GLU 66 HA GLU 66 -8.873 -5.739 5.601
535 1HB GLU 66 2HB GLU 66 -10.365 -3.787 5.954
536 2HB GLU 66 1HB GLU 66 -8.980 -2.720 5.804
537 1HG GLU 66 2HG GLU 66 -10.191 -2.707 3.752
538 2HG GLU 66 1HG GLU 66 -8.651 -3.522 3.497
539 H PHE 67 H PHE 67 -6.760 -3.031 6.539
540 HA PHE 67 HA PHE 67 -5.160 -2.999 4.252
541 1HB PHE 67 2HB PHE 67 -5.271 -1.284 6.144
542 2HB PHE 67 1HB PHE 67 -4.172 -2.334 7.030
543 HD1 PHE 67 HD1 PHE 67 -4.493 0.182 4.496
544 HD2 PHE 67 HD2 PHE 67 -1.890 -2.789 6.074
545 HE1 PHE 67 HE1 PHE 67 -2.590 1.258 3.368
546 HE2 PHE 67 HE2 PHE 67 0.020 -1.719 4.949
547 HZ PHE 67 HZ PHE 67 -0.330 0.306 3.594
548 H ASN 68 H ASN 68 -4.741 -4.763 7.314
549 HA ASN 68 HA ASN 68 -2.255 -5.959 6.661
550 1HB ASN 68 2HB ASN 68 -4.390 -6.934 8.573
551 2HB ASN 68 1HB ASN 68 -2.736 -7.529 8.505
552 1HD2 ASN 68 1HD2 ASN 68 -4.134 -6.338 10.712
553 2HD2 ASN 68 2HD2 ASN 68 -3.261 -4.909 11.158
554 H SER 69 H SER 69 -5.546 -6.804 5.919
555 HA SER 69 HA SER 69 -5.089 -9.477 5.133
556 1HB SER 69 2HB SER 69 -7.200 -7.522 4.186
557 2HB SER 69 1HB SER 69 -7.230 -9.263 3.912
558 HG SER 69 HG SER 69 -7.259 -7.954 6.443
559 H TRP 70 H TRP 70 -4.814 -6.397 3.440
560 HA TRP 70 HA TRP 70 -4.487 -7.442 0.837
561 1HB TRP 70 2HB TRP 70 -3.282 -4.890 1.925
562 2HB TRP 70 1HB TRP 70 -3.604 -5.268 0.239
563 HD1 TRP 70 HD1 TRP 70 -6.640 -6.474 1.293
564 HE1 TRP 70 HE1 TRP 70 -8.473 -4.695 1.559
565 HE3 TRP 70 HE3 TRP 70 -3.704 -2.305 1.485
566 HZ2 TRP 70 HZ2 TRP 70 -8.654 -1.882 1.796
567 HZ3 TRP 70 HZ3 TRP 70 -4.777 -0.112 1.727
568 HH2 TRP 70 HH2 TRP 70 -7.203 0.094 1.880
569 H VAL 71 H VAL 71 -2.126 -6.377 3.258
570 HA VAL 71 HA VAL 71 0.189 -7.066 1.839
571 HB VAL 71 HB VAL 71 -0.156 -7.126 4.842
572 1HG1 VAL 71 1HG1 VAL 71 2.290 -6.724 3.123
573 2HG1 VAL 71 2HG1 VAL 71 1.913 -8.154 4.083
574 3HG1 VAL 71 3HG1 VAL 71 2.244 -6.617 4.882
575 1HG2 VAL 71 1HG2 VAL 71 0.568 -4.793 4.822
576 2HG2 VAL 71 2HG2 VAL 71 -0.932 -4.999 3.917
577 3HG2 VAL 71 3HG2 VAL 71 0.596 -4.812 3.058
578 H SER 72 H SER 72 -1.860 -8.928 4.017
579 HA SER 72 HA SER 72 -0.282 -11.243 4.169
580 1HB SER 72 2HB SER 72 -3.250 -10.782 4.474
581 2HB SER 72 1HB SER 72 -2.478 -12.338 4.801
582 HG SER 72 HG SER 72 -2.112 -9.857 6.112
583 H ALA 73 H ALA 73 -2.720 -10.223 1.816
584 HA ALA 73 HA ALA 73 -2.679 -12.707 0.384
585 1HB ALA 73 1HB ALA 73 -4.628 -11.216 0.333
586 2HB ALA 73 2HB ALA 73 -4.012 -11.544 -1.287
587 3HB ALA 73 3HB ALA 73 -3.668 -10.000 -0.509
588 H LEU 74 H LEU 74 -0.908 -9.722 0.297
589 HA LEU 74 HA LEU 74 0.323 -10.251 -2.255
590 1HB LEU 74 2HB LEU 74 0.807 -8.162 -0.142
591 2HB LEU 74 1HB LEU 74 1.724 -8.252 -1.636
592 HG LEU 74 HG LEU 74 -1.270 -7.921 -1.518
593 1HD1 LEU 74 1HD1 LEU 74 -0.156 -5.986 -0.545
594 2HD1 LEU 74 2HD1 LEU 74 -0.879 -5.592 -2.106
595 3HD1 LEU 74 3HD1 LEU 74 0.864 -5.845 -1.979
596 1HD2 LEU 74 1HD2 LEU 74 -0.515 -8.952 -3.565
597 2HD2 LEU 74 2HD2 LEU 74 0.723 -7.714 -3.771
598 3HD2 LEU 74 3HD2 LEU 74 -0.982 -7.282 -3.888
599 H ALA 75 H ALA 75 0.765 -11.354 0.859
600 HA ALA 75 HA ALA 75 3.590 -11.835 0.745
601 1HB ALA 75 1HB ALA 75 2.377 -11.757 2.880
602 2HB ALA 75 2HB ALA 75 3.227 -13.286 2.665
603 3HB ALA 75 3HB ALA 75 1.483 -13.205 2.417
604 H GLU 76 H GLU 76 0.947 -13.071 -0.858
605 HA GLU 76 HA GLU 76 0.752 -14.603 -2.508
606 1HB GLU 76 2HB GLU 76 3.167 -14.083 -2.965
607 2HB GLU 76 1HB GLU 76 3.594 -15.443 -1.938
608 1HG GLU 76 2HG GLU 76 3.696 -16.134 -4.220
609 2HG GLU 76 1HG GLU 76 2.324 -16.929 -3.449
610 H HIS 77 H HIS 77 2.725 -16.022 0.081
611 HA HIS 77 HA HIS 77 0.663 -17.960 0.667
612 1HB HIS 77 2HB HIS 77 2.040 -19.938 0.248
613 2HB HIS 77 1HB HIS 77 1.810 -19.027 -1.236
614 HD1 HIS 77 HD1 HIS 77 4.315 -20.893 0.273
615 HD2 HIS 77 HD2 HIS 77 4.267 -17.092 -1.418
616 HE1 HIS 77 HE1 HIS 77 6.709 -20.373 -0.295
617 HE2 HIS 77 HE2 HIS 77 6.627 -18.151 -1.485
618 H GLY 78 H GLY 78 0.687 -18.436 2.778
619 1HA GLY 78 2HA GLY 78 2.613 -17.259 4.509
620 2HA GLY 78 1HA GLY 78 1.336 -18.372 4.985
621 H LYS 79 H LYS 79 4.408 -18.069 5.424
622 HA LYS 79 HA LYS 79 5.098 -20.751 5.738
623 1HB LYS 79 2HB LYS 79 5.006 -20.742 3.231
624 2HB LYS 79 1HB LYS 79 6.303 -19.555 3.233
625 1HG LYS 79 2HG LYS 79 7.179 -21.759 2.788
626 2HG LYS 79 1HG LYS 79 7.770 -21.177 4.345
627 1HD LYS 79 2HD LYS 79 7.094 -23.529 4.457
628 2HD LYS 79 1HD LYS 79 6.089 -22.519 5.497
629 1HE LYS 79 2HE LYS 79 4.358 -22.478 3.761
630 2HE LYS 79 1HE LYS 79 5.359 -23.515 2.748
631 1HZ LYS 79 1HZ LYS 79 3.652 -24.755 3.944
632 2HZ LYS 79 2HZ LYS 79 4.306 -24.247 5.426
633 3HZ LYS 79 3HZ LYS 79 5.210 -25.250 4.397
634 H ASP 80 H ASP 80 6.239 -17.536 4.908
635 HA ASP 80 HA ASP 80 8.486 -17.868 6.770
636 1HB ASP 80 2HB ASP 80 9.254 -18.151 4.423
637 2HB ASP 80 1HB ASP 80 8.638 -16.544 4.057
638 H ALA 81 H ALA 81 6.979 -15.418 4.699
639 HA ALA 81 HA ALA 81 5.870 -13.490 5.158
640 1HB ALA 81 1HB ALA 81 6.331 -14.046 8.082
641 2HB ALA 81 2HB ALA 81 4.942 -14.600 7.148
642 3HB ALA 81 3HB ALA 81 5.209 -12.874 7.387
643 H LEU 82 H LEU 82 9.043 -14.112 6.280
644 HA LEU 82 HA LEU 82 9.594 -11.300 6.805
645 1HB LEU 82 2HB LEU 82 11.422 -13.702 6.847
646 2HB LEU 82 1HB LEU 82 11.864 -12.081 7.349
647 HG LEU 82 HG LEU 82 9.807 -13.846 8.673
648 1HD1 LEU 82 1HD1 LEU 82 12.107 -14.552 9.078
649 2HD1 LEU 82 2HD1 LEU 82 11.379 -13.879 10.537
650 3HD1 LEU 82 3HD1 LEU 82 12.521 -12.920 9.597
651 1HD2 LEU 82 1HD2 LEU 82 9.660 -12.097 10.361
652 2HD2 LEU 82 2HD2 LEU 82 9.184 -11.483 8.777
653 3HD2 LEU 82 3HD2 LEU 82 10.775 -11.094 9.433
654 H LYS 83 H LYS 83 10.211 -13.774 4.421
655 HA LYS 83 HA LYS 83 11.927 -12.081 2.831
656 1HB LYS 83 2HB LYS 83 10.703 -14.786 2.278
657 2HB LYS 83 1HB LYS 83 11.853 -13.979 1.220
658 1HG LYS 83 2HG LYS 83 13.562 -14.079 2.888
659 2HG LYS 83 1HG LYS 83 12.419 -14.682 4.088
660 1HD LYS 83 2HD LYS 83 12.111 -16.714 2.734
661 2HD LYS 83 1HD LYS 83 13.304 -16.110 1.581
662 1HE LYS 83 2HE LYS 83 14.225 -17.742 3.217
663 2HE LYS 83 1HE LYS 83 15.031 -16.174 3.243
664 1HZ LYS 83 1HZ LYS 83 13.778 -15.568 5.186
665 2HZ LYS 83 2HZ LYS 83 14.560 -17.041 5.478
666 3HZ LYS 83 3HZ LYS 83 12.896 -17.012 5.140
667 H VAL 84 H VAL 84 8.795 -11.771 3.377
668 HA VAL 84 HA VAL 84 7.697 -11.548 0.766
669 HB VAL 84 HB VAL 84 6.868 -10.092 3.294
670 1HG1 VAL 84 1HG1 VAL 84 6.010 -9.009 1.278
671 2HG1 VAL 84 2HG1 VAL 84 4.713 -9.792 2.180
672 3HG1 VAL 84 3HG1 VAL 84 5.353 -10.552 0.724
673 1HG2 VAL 84 1HG2 VAL 84 6.787 -12.519 3.541
674 2HG2 VAL 84 2HG2 VAL 84 5.816 -12.641 2.073
675 3HG2 VAL 84 3HG2 VAL 84 5.165 -11.829 3.499
676 H THR 85 H THR 85 8.231 -10.123 -0.749
677 HA THR 85 HA THR 85 10.326 -8.345 -0.455
678 HB THR 85 HB THR 85 8.192 -8.047 -2.566
679 HG1 THR 85 HG1 THR 85 10.227 -10.018 -2.247
680 1HG2 THR 85 1HG2 THR 85 10.089 -7.373 -3.967
681 2HG2 THR 85 2HG2 THR 85 11.182 -7.604 -2.602
682 3HG2 THR 85 3HG2 THR 85 9.953 -6.340 -2.544
683 H ALA 86 H ALA 86 6.844 -7.638 -0.420
684 HA ALA 86 HA ALA 86 7.196 -4.817 -0.284
685 1HB ALA 86 1HB ALA 86 4.806 -4.733 0.114
686 2HB ALA 86 2HB ALA 86 4.781 -6.470 0.412
687 3HB ALA 86 3HB ALA 86 5.179 -5.858 -1.194
688 H LEU 87 H LEU 87 7.012 -7.344 2.108
689 HA LEU 87 HA LEU 87 6.330 -5.523 4.260
690 1HB LEU 87 2HB LEU 87 5.564 -7.988 4.014
691 2HB LEU 87 1HB LEU 87 7.164 -8.401 4.593
692 HG LEU 87 HG LEU 87 5.389 -8.443 6.348
693 1HD1 LEU 87 1HD1 LEU 87 6.667 -7.291 8.055
694 2HD1 LEU 87 2HD1 LEU 87 7.553 -6.400 6.817
695 3HD1 LEU 87 3HD1 LEU 87 7.743 -8.149 6.951
696 1HD2 LEU 87 1HD2 LEU 87 5.370 -5.460 5.929
697 2HD2 LEU 87 2HD2 LEU 87 4.538 -6.332 7.216
698 3HD2 LEU 87 3HD2 LEU 87 4.058 -6.572 5.535
699 H LYS 88 H LYS 88 9.044 -7.582 3.304
700 HA LYS 88 HA LYS 88 10.844 -6.812 5.298
701 1HB LYS 88 2HB LYS 88 11.330 -8.694 3.845
702 2HB LYS 88 1HB LYS 88 11.380 -7.640 2.438
703 1HG LYS 88 2HG LYS 88 13.308 -6.452 3.500
704 2HG LYS 88 1HG LYS 88 13.308 -7.698 4.746
705 1HD LYS 88 2HD LYS 88 13.611 -8.237 1.796
706 2HD LYS 88 1HD LYS 88 14.958 -8.083 2.925
707 1HE LYS 88 2HE LYS 88 13.990 -9.955 4.239
708 2HE LYS 88 1HE LYS 88 12.769 -10.149 2.981
709 1HZ LYS 88 1HZ LYS 88 14.653 -11.682 2.717
710 2HZ LYS 88 2HZ LYS 88 15.697 -10.357 2.546
711 3HZ LYS 88 3HZ LYS 88 14.486 -10.635 1.391
712 H LYS 89 H LYS 89 10.018 -5.352 2.199
713 HA LYS 89 HA LYS 89 12.117 -3.465 2.150
714 1HB LYS 89 2HB LYS 89 10.578 -4.101 0.220
715 2HB LYS 89 1HB LYS 89 9.395 -3.023 0.946
716 1HG LYS 89 2HG LYS 89 10.814 -1.135 0.640
717 2HG LYS 89 1HG LYS 89 12.153 -2.163 0.121
718 1HD LYS 89 2HD LYS 89 9.525 -1.810 -1.323
719 2HD LYS 89 1HD LYS 89 11.068 -1.094 -1.790
720 1HE LYS 89 2HE LYS 89 12.003 -3.378 -2.039
721 2HE LYS 89 1HE LYS 89 10.407 -4.034 -1.680
722 1HZ LYS 89 1HZ LYS 89 10.821 -3.946 -4.057
723 2HZ LYS 89 2HZ LYS 89 11.080 -2.274 -3.973
724 3HZ LYS 89 3HZ LYS 89 9.540 -2.914 -3.636
725 H TYR 90 H TYR 90 8.760 -3.232 3.303
726 HA TYR 90 HA TYR 90 8.800 -0.555 4.056
727 1HB TYR 90 2HB TYR 90 6.760 -1.951 4.007
728 2HB TYR 90 1HB TYR 90 7.324 -2.810 5.435
729 HD1 TYR 90 HD1 TYR 90 6.853 -1.977 7.585
730 HD2 TYR 90 HD2 TYR 90 6.311 0.547 4.206
731 HE1 TYR 90 HE1 TYR 90 5.747 -0.305 9.014
732 HE2 TYR 90 HE2 TYR 90 5.201 2.223 5.619
733 HH TYR 90 HH TYR 90 5.348 2.185 8.973
734 H ARG 91 H ARG 91 9.799 -3.426 5.885
735 HA ARG 91 HA ARG 91 10.404 -1.951 8.259
736 1HB ARG 91 2HB ARG 91 11.105 -4.747 7.364
737 2HB ARG 91 1HB ARG 91 11.595 -4.092 8.916
738 1HG ARG 91 2HG ARG 91 9.304 -3.825 9.591
739 2HG ARG 91 1HG ARG 91 8.739 -4.336 8.000
740 1HD ARG 91 2HD ARG 91 8.567 -6.141 9.643
741 2HD ARG 91 1HD ARG 91 9.703 -6.549 8.358
742 HE ARG 91 HE ARG 91 11.107 -5.381 10.504
743 1HH1 ARG 91 1HH1 ARG 91 9.357 -8.311 9.720
744 2HH1 ARG 91 2HH1 ARG 91 10.282 -9.308 10.791
745 1HH2 ARG 91 1HH2 ARG 91 12.344 -6.706 11.917
746 2HH2 ARG 91 2HH2 ARG 91 11.986 -8.405 12.034
747 H GLN 92 H GLN 92 12.342 -3.224 5.574
748 HA GLN 92 HA GLN 92 14.845 -2.533 6.769
749 1HB GLN 92 2HB GLN 92 14.438 -4.349 5.043
750 2HB GLN 92 1HB GLN 92 14.332 -3.069 3.843
751 1HG GLN 92 2HG GLN 92 16.527 -3.941 3.743
752 2HG GLN 92 1HG GLN 92 16.636 -2.360 4.517
753 1HE2 GLN 92 1HE2 GLN 92 16.856 -5.795 4.962
754 2HE2 GLN 92 2HE2 GLN 92 17.626 -5.757 6.512
755 H LEU 93 H LEU 93 12.626 -0.952 4.574
756 HA LEU 93 HA LEU 93 14.399 1.091 3.703
757 1HB LEU 93 2HB LEU 93 12.301 0.408 2.525
758 2HB LEU 93 1HB LEU 93 11.379 1.140 3.824
759 HG LEU 93 HG LEU 93 12.359 3.346 3.257
760 1HD1 LEU 93 1HD1 LEU 93 14.444 2.559 2.273
761 2HD1 LEU 93 2HD1 LEU 93 13.574 3.622 1.168
762 3HD1 LEU 93 3HD1 LEU 93 13.550 1.877 0.912
763 1HD2 LEU 93 1HD2 LEU 93 10.203 2.736 2.343
764 2HD2 LEU 93 2HD2 LEU 93 10.979 1.911 0.992
765 3HD2 LEU 93 3HD2 LEU 93 11.121 3.662 1.156
766 H LEU 94 H LEU 94 12.260 0.725 6.447
767 HA LEU 94 HA LEU 94 12.593 3.464 7.325
768 1HB LEU 94 2HB LEU 94 11.438 1.099 8.806
769 2HB LEU 94 1HB LEU 94 11.295 2.783 9.272
770 HG LEU 94 HG LEU 94 10.095 1.546 6.792
771 1HD1 LEU 94 1HD1 LEU 94 8.802 2.478 9.347
772 2HD1 LEU 94 2HD1 LEU 94 9.010 0.801 8.843
773 3HD1 LEU 94 3HD1 LEU 94 7.964 1.877 7.915
774 1HD2 LEU 94 1HD2 LEU 94 8.956 3.676 6.532
775 2HD2 LEU 94 2HD2 LEU 94 10.706 3.889 6.478
776 3HD2 LEU 94 3HD2 LEU 94 9.809 4.318 7.935
777 H GLU 95 H GLU 95 14.426 0.686 7.429
778 HA GLU 95 HA GLU 95 15.546 1.054 10.066
779 1HB GLU 95 2HB GLU 95 15.233 -1.197 9.029
780 2HB GLU 95 1HB GLU 95 16.455 -0.772 7.838
781 1HG GLU 95 2HG GLU 95 17.469 -2.125 9.519
782 2HG GLU 95 1HG GLU 95 18.081 -0.479 9.686
783 H HIS 96 H HIS 96 17.094 2.449 10.493
784 HA HIS 96 HA HIS 96 18.759 3.572 8.408
785 1HB HIS 96 2HB HIS 96 17.915 4.842 10.440
786 2HB HIS 96 1HB HIS 96 19.042 3.899 11.405
787 HD1 HIS 96 HD1 HIS 96 19.145 6.253 8.417
788 HD2 HIS 96 HD2 HIS 96 21.450 5.095 11.679
789 HE1 HIS 96 HE1 HIS 96 21.137 7.784 8.419
790 HE2 HIS 96 HE2 HIS 96 22.358 7.238 10.555
791 H HIS 97 H HIS 97 19.434 1.344 7.825
792 HA HIS 97 HA HIS 97 20.742 -0.341 9.682
793 1HB HIS 97 2HB HIS 97 19.522 -0.809 7.375
794 2HB HIS 97 1HB HIS 97 21.160 -0.691 6.749
795 HD1 HIS 97 HD1 HIS 97 18.872 -3.140 7.798
796 HD2 HIS 97 HD2 HIS 97 22.927 -2.517 8.515
797 HE1 HIS 97 HE1 HIS 97 19.781 -5.365 8.539
798 HE2 HIS 97 HE2 HIS 97 22.201 -4.934 9.098
799 H HIS 98 H HIS 98 21.895 2.158 7.577
800 HA HIS 98 HA HIS 98 23.922 3.153 7.342
801 1HB HIS 98 2HB HIS 98 24.272 3.028 9.710
802 2HB HIS 98 1HB HIS 98 24.663 1.316 9.628
803 HD1 HIS 98 HD1 HIS 98 27.065 0.694 9.273
804 HD2 HIS 98 HD2 HIS 98 26.348 4.750 8.683
805 HE1 HIS 98 HE1 HIS 98 29.335 1.763 9.080
806 HE2 HIS 98 HE2 HIS 98 28.876 4.237 8.910
807 H HIS 99 H HIS 99 25.173 2.889 5.640
808 HA HIS 99 HA HIS 99 25.703 0.217 4.628
809 1HB HIS 99 2HB HIS 99 26.302 2.959 3.498
810 2HB HIS 99 1HB HIS 99 26.726 1.455 2.692
811 HD1 HIS 99 HD1 HIS 99 24.730 -0.019 1.808
812 HD2 HIS 99 HD2 HIS 99 23.674 3.745 3.220
813 HE1 HIS 99 HE1 HIS 99 22.404 0.393 0.958
814 HE2 HIS 99 HE2 HIS 99 21.892 2.774 1.614
815 H HIS 100 H HIS 100 27.865 -0.430 3.920
816 HA HIS 100 HA HIS 100 30.099 0.884 5.237
817 1HB HIS 100 2HB HIS 100 30.863 -1.120 6.401
818 2HB HIS 100 1HB HIS 100 29.252 -0.683 6.957
819 HD1 HIS 100 HD1 HIS 100 31.085 -3.297 4.947
820 HD2 HIS 100 HD2 HIS 100 27.269 -2.564 6.463
821 HE1 HIS 100 HE1 HIS 100 29.809 -5.449 4.664
822 HE2 HIS 100 HE2 HIS 100 27.518 -5.003 5.620
823 H HIS 101 H HIS 101 32.173 -0.442 4.746
824 HA HIS 101 HA HIS 101 32.221 -0.961 1.906
825 1HB HIS 101 2HB HIS 101 34.402 -1.151 3.992
826 2HB HIS 101 1HB HIS 101 34.651 -1.375 2.266
827 HD1 HIS 101 HD1 HIS 101 34.430 0.771 0.752
828 HD2 HIS 101 HD2 HIS 101 34.260 1.478 4.851
829 HE1 HIS 101 HE1 HIS 101 34.763 3.250 1.035
830 HE2 HIS 101 HE2 HIS 101 34.608 3.667 3.516
Start of MODEL 9
1 1H MET 1 1H MET 1 16.607 5.297 -19.352
2 2H MET 1 2H MET 1 18.077 6.084 -19.654
3 3H MET 1 3H MET 1 17.306 5.221 -20.898
4 HA MET 1 HA MET 1 16.317 7.682 -19.583
5 1HB MET 1 2HB MET 1 17.474 7.129 -22.316
6 2HB MET 1 1HB MET 1 16.520 8.565 -21.969
7 1HG MET 1 2HG MET 1 19.101 7.788 -20.624
8 2HG MET 1 1HG MET 1 18.904 9.026 -21.865
9 1HE MET 1 1HE MET 1 20.344 9.631 -19.132
10 2HE MET 1 2HE MET 1 19.617 11.171 -18.674
11 3HE MET 1 3HE MET 1 20.065 10.867 -20.353
12 H MET 2 H MET 2 14.257 8.244 -19.940
13 HA MET 2 HA MET 2 12.628 6.378 -21.533
14 1HB MET 2 2HB MET 2 11.829 8.158 -19.224
15 2HB MET 2 1HB MET 2 10.706 7.190 -20.170
16 1HG MET 2 2HG MET 2 11.825 5.158 -19.447
17 2HG MET 2 1HG MET 2 12.985 6.116 -18.524
18 1HE MET 2 1HE MET 2 11.239 3.706 -17.327
19 2HE MET 2 2HE MET 2 10.767 4.383 -15.769
20 3HE MET 2 3HE MET 2 12.409 4.617 -16.372
21 H PHE 3 H PHE 3 11.874 9.630 -20.384
22 HA PHE 3 HA PHE 3 11.023 11.453 -21.429
23 1HB PHE 3 2HB PHE 3 13.224 10.673 -23.343
24 2HB PHE 3 1HB PHE 3 12.306 12.168 -23.503
25 HD1 PHE 3 HD1 PHE 3 12.454 13.896 -21.754
26 HD2 PHE 3 HD2 PHE 3 14.930 10.441 -21.707
27 HE1 PHE 3 HE1 PHE 3 13.964 15.009 -20.164
28 HE2 PHE 3 HE2 PHE 3 16.449 11.545 -20.117
29 HZ PHE 3 HZ PHE 3 15.966 13.832 -19.344
30 H LEU 4 H LEU 4 9.284 9.522 -21.748
31 HA LEU 4 HA LEU 4 8.630 8.757 -24.372
32 1HB LEU 4 2HB LEU 4 7.752 7.978 -22.006
33 2HB LEU 4 1HB LEU 4 6.520 9.190 -22.293
34 HG LEU 4 HG LEU 4 5.784 6.920 -22.905
35 1HD1 LEU 4 1HD1 LEU 4 4.904 7.429 -25.119
36 2HD1 LEU 4 2HD1 LEU 4 6.050 8.764 -25.276
37 3HD1 LEU 4 3HD1 LEU 4 4.785 8.824 -24.047
38 1HD2 LEU 4 1HD2 LEU 4 6.736 5.797 -24.846
39 2HD2 LEU 4 2HD2 LEU 4 7.943 6.010 -23.579
40 3HD2 LEU 4 3HD2 LEU 4 7.953 7.062 -24.995
41 H ARG 5 H ARG 5 7.419 11.406 -22.333
42 HA ARG 5 HA ARG 5 6.654 12.825 -24.787
43 1HB ARG 5 2HB ARG 5 5.143 12.800 -22.168
44 2HB ARG 5 1HB ARG 5 4.759 13.822 -23.547
45 1HG ARG 5 2HG ARG 5 4.176 11.933 -24.881
46 2HG ARG 5 1HG ARG 5 4.778 10.818 -23.653
47 1HD ARG 5 2HD ARG 5 2.361 10.922 -23.582
48 2HD ARG 5 1HD ARG 5 3.044 11.600 -22.108
49 HE ARG 5 HE ARG 5 2.514 13.588 -24.100
50 1HH1 ARG 5 1HH1 ARG 5 1.092 11.683 -21.533
51 2HH1 ARG 5 2HH1 ARG 5 -0.182 12.821 -21.216
52 1HH2 ARG 5 1HH2 ARG 5 0.801 15.065 -23.716
53 2HH2 ARG 5 2HH2 ARG 5 -0.357 14.720 -22.465
54 H LYS 6 H LYS 6 6.628 13.718 -21.351
55 HA LYS 6 HA LYS 6 8.987 15.329 -21.608
56 1HB LYS 6 2HB LYS 6 7.876 17.478 -21.072
57 2HB LYS 6 1HB LYS 6 7.433 16.857 -22.657
58 1HG LYS 6 2HG LYS 6 5.309 16.054 -21.756
59 2HG LYS 6 1HG LYS 6 5.760 16.652 -20.156
60 1HD LYS 6 2HD LYS 6 5.489 18.377 -22.619
61 2HD LYS 6 1HD LYS 6 4.238 18.176 -21.390
62 1HE LYS 6 2HE LYS 6 5.704 19.108 -19.702
63 2HE LYS 6 1HE LYS 6 7.013 19.235 -20.877
64 1HZ LYS 6 1HZ LYS 6 5.811 20.867 -22.090
65 2HZ LYS 6 2HZ LYS 6 5.794 21.342 -20.463
66 3HZ LYS 6 3HZ LYS 6 4.416 20.642 -21.156
67 H VAL 7 H VAL 7 9.502 16.467 -19.564
68 HA VAL 7 HA VAL 7 8.833 14.755 -17.324
69 HB VAL 7 HB VAL 7 10.587 17.217 -17.285
70 1HG1 VAL 7 1HG1 VAL 7 10.481 14.803 -15.481
71 2HG1 VAL 7 2HG1 VAL 7 9.889 16.417 -15.089
72 3HG1 VAL 7 3HG1 VAL 7 11.615 16.149 -15.342
73 1HG2 VAL 7 1HG2 VAL 7 12.482 15.694 -17.617
74 2HG2 VAL 7 2HG2 VAL 7 11.385 15.681 -18.998
75 3HG2 VAL 7 3HG2 VAL 7 11.356 14.352 -17.841
76 H GLU 8 H GLU 8 6.558 15.440 -17.556
77 HA GLU 8 HA GLU 8 5.975 17.463 -15.559
78 1HB GLU 8 2HB GLU 8 5.928 18.702 -17.693
79 2HB GLU 8 1HB GLU 8 4.762 17.551 -18.331
80 1HG GLU 8 2HG GLU 8 3.135 18.245 -16.669
81 2HG GLU 8 1HG GLU 8 4.311 19.357 -15.967
82 H GLY 9 H GLY 9 5.053 16.054 -14.179
83 1HA GLY 9 2HA GLY 9 2.756 15.010 -13.881
84 2HA GLY 9 1HA GLY 9 3.159 14.103 -15.328
85 HA PRO 10 HA PRO 10 5.559 11.010 -13.229
86 1HB PRO 10 2HB PRO 10 8.233 12.261 -13.516
87 2HB PRO 10 1HB PRO 10 7.675 10.659 -14.008
88 1HG PRO 10 2HG PRO 10 8.067 12.562 -15.814
89 2HG PRO 10 1HG PRO 10 6.683 11.456 -15.948
90 1HD PRO 10 2HD PRO 10 6.761 14.290 -14.982
91 2HD PRO 10 1HD PRO 10 5.561 13.484 -16.012
92 H ARG 11 H ARG 11 4.515 12.115 -11.301
93 HA ARG 11 HA ARG 11 6.617 12.255 -9.235
94 1HB ARG 11 2HB ARG 11 3.792 13.323 -9.277
95 2HB ARG 11 1HB ARG 11 4.664 13.076 -7.772
96 1HG ARG 11 2HG ARG 11 5.596 14.838 -10.027
97 2HG ARG 11 1HG ARG 11 4.765 15.398 -8.574
98 1HD ARG 11 2HD ARG 11 7.013 15.740 -8.076
99 2HD ARG 11 1HD ARG 11 6.641 14.207 -7.293
100 HE ARG 11 HE ARG 11 7.621 13.627 -9.834
101 1HH1 ARG 11 1HH1 ARG 11 8.749 15.089 -6.853
102 2HH1 ARG 11 2HH1 ARG 11 10.406 14.616 -7.107
103 1HH2 ARG 11 1HH2 ARG 11 9.788 12.978 -10.144
104 2HH2 ARG 11 2HH2 ARG 11 10.991 13.386 -8.960
105 H SER 12 H SER 12 5.762 10.038 -10.681
106 HA SER 12 HA SER 12 3.895 8.560 -9.000
107 1HB SER 12 2HB SER 12 4.037 6.969 -11.053
108 2HB SER 12 1HB SER 12 3.177 8.497 -11.223
109 HG SER 12 HG SER 12 4.697 8.015 -12.944
110 H VAL 13 H VAL 13 4.340 6.149 -9.031
111 HA VAL 13 HA VAL 13 7.187 5.578 -8.616
112 HB VAL 13 HB VAL 13 6.295 3.950 -6.780
113 1HG1 VAL 13 1HG1 VAL 13 6.564 5.717 -5.081
114 2HG1 VAL 13 2HG1 VAL 13 6.428 6.938 -6.346
115 3HG1 VAL 13 3HG1 VAL 13 7.791 5.820 -6.342
116 1HG2 VAL 13 1HG2 VAL 13 3.916 4.292 -7.219
117 2HG2 VAL 13 2HG2 VAL 13 4.082 6.011 -6.865
118 3HG2 VAL 13 3HG2 VAL 13 4.322 4.821 -5.585
119 H THR 14 H THR 14 7.835 4.007 -9.895
120 HA THR 14 HA THR 14 5.916 2.447 -11.377
121 HB THR 14 HB THR 14 8.932 2.317 -11.510
122 HG1 THR 14 HG1 THR 14 8.191 3.737 -13.494
123 1HG2 THR 14 1HG2 THR 14 6.808 1.633 -13.550
124 2HG2 THR 14 2HG2 THR 14 7.749 0.465 -12.622
125 3HG2 THR 14 3HG2 THR 14 8.552 1.516 -13.788
126 H LEU 15 H LEU 15 5.484 0.315 -11.161
127 HA LEU 15 HA LEU 15 6.742 -1.133 -8.948
128 1HB LEU 15 2HB LEU 15 4.301 -1.667 -10.639
129 2HB LEU 15 1HB LEU 15 4.940 -2.838 -9.503
130 HG LEU 15 HG LEU 15 4.007 -0.075 -8.739
131 1HD1 LEU 15 1HD1 LEU 15 2.118 -1.360 -9.514
132 2HD1 LEU 15 2HD1 LEU 15 2.069 -1.236 -7.751
133 3HD1 LEU 15 3HD1 LEU 15 2.606 -2.734 -8.517
134 1HD2 LEU 15 1HD2 LEU 15 4.106 -0.945 -6.466
135 2HD2 LEU 15 2HD2 LEU 15 5.688 -1.012 -7.243
136 3HD2 LEU 15 3HD2 LEU 15 4.727 -2.480 -7.072
137 HA PRO 16 HA PRO 16 9.367 -3.721 -11.445
138 1HB PRO 16 2HB PRO 16 8.149 -6.006 -9.973
139 2HB PRO 16 1HB PRO 16 9.853 -5.586 -10.185
140 1HG PRO 16 2HG PRO 16 8.639 -5.145 -7.862
141 2HG PRO 16 1HG PRO 16 9.796 -3.969 -8.511
142 1HD PRO 16 2HD PRO 16 6.812 -3.861 -8.455
143 2HD PRO 16 1HD PRO 16 7.994 -2.555 -8.237
144 H ASP 17 H ASP 17 5.976 -4.363 -11.120
145 HA ASP 17 HA ASP 17 5.562 -6.307 -13.086
146 1HB ASP 17 2HB ASP 17 3.792 -5.673 -11.561
147 2HB ASP 17 1HB ASP 17 3.804 -4.023 -12.162
148 H GLY 18 H GLY 18 6.227 -2.893 -13.329
149 1HA GLY 18 2HA GLY 18 7.133 -2.064 -15.429
150 2HA GLY 18 1HA GLY 18 5.988 -3.109 -16.264
151 H SER 19 H SER 19 4.105 -2.209 -13.959
152 HA SER 19 HA SER 19 2.968 -0.006 -15.469
153 1HB SER 19 2HB SER 19 1.862 -1.467 -13.057
154 2HB SER 19 1HB SER 19 0.972 -0.385 -14.129
155 HG SER 19 HG SER 19 1.924 -3.002 -14.594
156 H ILE 20 H ILE 20 2.736 2.057 -14.726
157 HA ILE 20 HA ILE 20 4.168 2.748 -12.262
158 HB ILE 20 HB ILE 20 4.112 5.066 -13.091
159 1HG1 ILE 20 2HG1 ILE 20 2.801 3.877 -15.551
160 2HG1 ILE 20 1HG1 ILE 20 2.006 4.921 -14.376
161 1HG2 ILE 20 1HG2 ILE 20 5.174 3.068 -15.079
162 2HG2 ILE 20 2HG2 ILE 20 6.006 3.660 -13.640
163 3HG2 ILE 20 3HG2 ILE 20 5.660 4.761 -14.973
164 1HD1 ILE 20 1HD1 ILE 20 2.648 6.123 -16.401
165 2HD1 ILE 20 2HD1 ILE 20 4.336 5.705 -16.107
166 3HD1 ILE 20 3HD1 ILE 20 3.478 6.748 -14.975
167 H MET 21 H MET 21 3.193 4.206 -10.733
168 HA MET 21 HA MET 21 0.297 4.538 -11.024
169 1HB MET 21 2HB MET 21 0.491 2.602 -9.630
170 2HB MET 21 1HB MET 21 1.708 3.378 -8.624
171 1HG MET 21 2HG MET 21 0.142 4.801 -7.632
172 2HG MET 21 1HG MET 21 -1.067 4.474 -8.872
173 1HE MET 21 1HE MET 21 -0.993 1.383 -9.203
174 2HE MET 21 2HE MET 21 -2.457 2.362 -9.059
175 3HE MET 21 3HE MET 21 -2.259 0.918 -8.062
176 H THR 22 H THR 22 -0.435 6.457 -10.503
177 HA THR 22 HA THR 22 1.431 8.391 -9.314
178 HB THR 22 HB THR 22 -0.027 10.118 -10.271
179 HG1 THR 22 HG1 THR 22 -1.543 7.907 -11.287
180 1HG2 THR 22 1HG2 THR 22 1.729 9.409 -11.719
181 2HG2 THR 22 2HG2 THR 22 0.277 9.562 -12.705
182 3HG2 THR 22 3HG2 THR 22 0.836 7.967 -12.197
183 H ARG 23 H ARG 23 0.085 10.225 -8.149
184 HA ARG 23 HA ARG 23 -1.304 9.127 -5.933
185 1HB ARG 23 2HB ARG 23 -0.080 11.532 -6.535
186 2HB ARG 23 1HB ARG 23 -1.779 11.966 -6.480
187 1HG ARG 23 2HG ARG 23 -0.773 10.320 -4.248
188 2HG ARG 23 1HG ARG 23 -0.171 11.975 -4.340
189 1HD ARG 23 2HD ARG 23 -2.080 12.092 -2.979
190 2HD ARG 23 1HD ARG 23 -2.601 12.687 -4.550
191 HE ARG 23 HE ARG 23 -3.584 10.424 -4.896
192 1HH1 ARG 23 1HH1 ARG 23 -2.985 11.622 -1.647
193 2HH1 ARG 23 2HH1 ARG 23 -4.244 10.654 -0.927
194 1HH2 ARG 23 1HH2 ARG 23 -5.245 9.175 -3.953
195 2HH2 ARG 23 2HH2 ARG 23 -5.535 9.268 -2.244
196 H ALA 24 H ALA 24 -2.235 9.996 -9.108
197 HA ALA 24 HA ALA 24 -4.984 10.613 -8.518
198 1HB ALA 24 1HB ALA 24 -3.857 11.626 -10.435
199 2HB ALA 24 2HB ALA 24 -5.269 10.699 -10.943
200 3HB ALA 24 3HB ALA 24 -3.649 10.034 -11.162
201 H ASP 25 H ASP 25 -3.134 7.768 -9.348
202 HA ASP 25 HA ASP 25 -5.404 6.149 -10.037
203 1HB ASP 25 2HB ASP 25 -2.591 5.342 -9.253
204 2HB ASP 25 1HB ASP 25 -3.807 4.260 -9.924
205 H LEU 26 H LEU 26 -3.950 7.238 -7.198
206 HA LEU 26 HA LEU 26 -4.797 5.049 -5.526
207 1HB LEU 26 2HB LEU 26 -3.559 7.723 -4.888
208 2HB LEU 26 1HB LEU 26 -3.924 6.495 -3.690
209 HG LEU 26 HG LEU 26 -2.008 6.119 -5.994
210 1HD1 LEU 26 1HD1 LEU 26 -1.457 6.629 -3.076
211 2HD1 LEU 26 2HD1 LEU 26 -1.164 7.760 -4.398
212 3HD1 LEU 26 3HD1 LEU 26 -0.252 6.253 -4.307
213 1HD2 LEU 26 1HD2 LEU 26 -2.578 4.422 -3.570
214 2HD2 LEU 26 2HD2 LEU 26 -1.342 4.109 -4.790
215 3HD2 LEU 26 3HD2 LEU 26 -3.050 4.051 -5.230
216 HA PRO 27 HA PRO 27 -8.962 6.347 -4.395
217 1HB PRO 27 2HB PRO 27 -7.751 5.467 -1.795
218 2HB PRO 27 1HB PRO 27 -9.344 5.109 -2.469
219 1HG PRO 27 2HG PRO 27 -7.446 3.298 -2.587
220 2HG PRO 27 1HG PRO 27 -8.500 3.564 -3.983
221 1HD PRO 27 2HD PRO 27 -5.664 4.356 -3.575
222 2HD PRO 27 1HD PRO 27 -6.510 3.909 -5.070
223 HA PRO 28 HA PRO 28 -7.737 10.502 -3.184
224 1HB PRO 28 2HB PRO 28 -10.668 10.819 -2.848
225 2HB PRO 28 1HB PRO 28 -9.541 11.767 -3.823
226 1HG PRO 28 2HG PRO 28 -11.230 10.065 -4.979
227 2HG PRO 28 1HG PRO 28 -9.568 10.229 -5.575
228 1HD PRO 28 2HD PRO 28 -10.760 8.095 -3.847
229 2HD PRO 28 1HD PRO 28 -9.618 7.940 -5.198
230 H ALA 29 H ALA 29 -10.522 9.118 -1.455
231 HA ALA 29 HA ALA 29 -9.209 9.119 1.062
232 1HB ALA 29 1HB ALA 29 -9.626 11.541 0.896
233 2HB ALA 29 2HB ALA 29 -10.542 10.804 2.210
234 3HB ALA 29 3HB ALA 29 -11.350 11.223 0.699
235 H ASN 30 H ASN 30 -12.433 9.478 -0.401
236 HA ASN 30 HA ASN 30 -13.574 7.611 1.487
237 1HB ASN 30 2HB ASN 30 -14.746 9.078 -0.880
238 2HB ASN 30 1HB ASN 30 -15.667 7.936 0.092
239 1HD2 ASN 30 1HD2 ASN 30 -17.113 9.481 0.787
240 2HD2 ASN 30 2HD2 ASN 30 -16.686 10.710 1.931
241 H THR 31 H THR 31 -13.221 7.695 -2.059
242 HA THR 31 HA THR 31 -13.053 6.061 -3.627
243 HB THR 31 HB THR 31 -12.402 4.055 -1.497
244 HG1 THR 31 HG1 THR 31 -11.052 5.620 -0.875
245 1HG2 THR 31 1HG2 THR 31 -12.518 3.320 -3.849
246 2HG2 THR 31 2HG2 THR 31 -10.879 3.206 -3.207
247 3HG2 THR 31 3HG2 THR 31 -11.315 4.538 -4.276
248 H ARG 32 H ARG 32 -15.251 5.979 -4.148
249 HA ARG 32 HA ARG 32 -17.075 4.562 -2.400
250 1HB ARG 32 2HB ARG 32 -17.628 5.941 -5.026
251 2HB ARG 32 1HB ARG 32 -18.828 5.402 -3.859
252 1HG ARG 32 2HG ARG 32 -17.786 6.972 -2.205
253 2HG ARG 32 1HG ARG 32 -16.811 7.608 -3.532
254 1HD ARG 32 2HD ARG 32 -18.730 9.019 -3.254
255 2HD ARG 32 1HD ARG 32 -18.912 8.112 -4.756
256 HE ARG 32 HE ARG 32 -20.314 7.468 -2.231
257 1HH1 ARG 32 1HH1 ARG 32 -20.128 7.487 -5.736
258 2HH1 ARG 32 2HH1 ARG 32 -21.735 6.865 -5.953
259 1HH2 ARG 32 1HH2 ARG 32 -22.454 6.673 -2.524
260 2HH2 ARG 32 2HH2 ARG 32 -23.058 6.408 -4.136
261 H ARG 33 H ARG 33 -14.989 3.160 -4.083
262 HA ARG 33 HA ARG 33 -16.607 0.896 -4.702
263 1HB ARG 33 2HB ARG 33 -16.894 2.274 -6.767
264 2HB ARG 33 1HB ARG 33 -15.156 2.217 -7.006
265 1HG ARG 33 2HG ARG 33 -16.235 0.608 -8.433
266 2HG ARG 33 1HG ARG 33 -15.281 -0.230 -7.206
267 1HD ARG 33 2HD ARG 33 -17.324 -0.588 -5.886
268 2HD ARG 33 1HD ARG 33 -18.266 0.216 -7.143
269 HE ARG 33 HE ARG 33 -16.823 -1.869 -8.328
270 1HH1 ARG 33 1HH1 ARG 33 -19.472 -1.406 -6.082
271 2HH1 ARG 33 2HH1 ARG 33 -20.212 -2.933 -6.442
272 1HH2 ARG 33 1HH2 ARG 33 -17.806 -3.883 -8.808
273 2HH2 ARG 33 2HH2 ARG 33 -19.282 -4.337 -8.001
274 H TRP 34 H TRP 34 -15.244 -0.098 -3.203
275 HA TRP 34 HA TRP 34 -12.387 -0.100 -3.645
276 1HB TRP 34 2HB TRP 34 -14.154 -1.410 -1.586
277 2HB TRP 34 1HB TRP 34 -12.423 -1.716 -1.674
278 HD1 TRP 34 HD1 TRP 34 -14.882 0.634 -0.176
279 HE1 TRP 34 HE1 TRP 34 -13.658 2.619 0.924
280 HE3 TRP 34 HE3 TRP 34 -10.223 -0.096 -2.147
281 HZ2 TRP 34 HZ2 TRP 34 -11.059 3.715 0.958
282 HZ3 TRP 34 HZ3 TRP 34 -8.428 1.462 -1.530
283 HH2 TRP 34 HH2 TRP 34 -8.835 3.329 -0.014
284 H VAL 35 H VAL 35 -12.155 -1.080 -5.631
285 HA VAL 35 HA VAL 35 -13.001 -3.858 -5.910
286 HB VAL 35 HB VAL 35 -12.171 -3.707 -8.207
287 1HG1 VAL 35 1HG1 VAL 35 -14.462 -3.028 -7.753
288 2HG1 VAL 35 2HG1 VAL 35 -13.773 -2.051 -9.050
289 3HG1 VAL 35 3HG1 VAL 35 -13.923 -1.381 -7.426
290 1HG2 VAL 35 1HG2 VAL 35 -11.374 -1.570 -9.114
291 2HG2 VAL 35 2HG2 VAL 35 -10.298 -2.195 -7.863
292 3HG2 VAL 35 3HG2 VAL 35 -11.410 -0.877 -7.492
293 H ALA 36 H ALA 36 -11.315 -5.375 -6.879
294 HA ALA 36 HA ALA 36 -9.332 -5.830 -4.982
295 1HB ALA 36 1HB ALA 36 -10.231 -7.572 -6.445
296 2HB ALA 36 2HB ALA 36 -8.468 -7.529 -6.503
297 3HB ALA 36 3HB ALA 36 -9.413 -6.838 -7.824
298 H SER 37 H SER 37 -9.044 -4.359 -8.200
299 HA SER 37 HA SER 37 -6.278 -4.045 -8.258
300 1HB SER 37 2HB SER 37 -8.349 -2.213 -9.490
301 2HB SER 37 1HB SER 37 -6.668 -2.386 -9.996
302 HG SER 37 HG SER 37 -7.084 -4.414 -10.745
303 H ARG 38 H ARG 38 -8.773 -1.937 -6.883
304 HA ARG 38 HA ARG 38 -6.946 0.187 -6.323
305 1HB ARG 38 2HB ARG 38 -9.794 -0.350 -5.546
306 2HB ARG 38 1HB ARG 38 -8.902 0.987 -4.832
307 1HG ARG 38 2HG ARG 38 -8.477 1.891 -7.062
308 2HG ARG 38 1HG ARG 38 -9.404 0.568 -7.769
309 1HD ARG 38 2HD ARG 38 -11.380 1.333 -6.503
310 2HD ARG 38 1HD ARG 38 -10.433 2.693 -5.898
311 HE ARG 38 HE ARG 38 -11.204 2.258 -8.713
312 1HH1 ARG 38 1HH1 ARG 38 -10.098 4.356 -6.144
313 2HH1 ARG 38 2HH1 ARG 38 -10.250 5.809 -7.077
314 1HH2 ARG 38 1HH2 ARG 38 -11.418 4.164 -9.956
315 2HH2 ARG 38 2HH2 ARG 38 -11.031 5.706 -9.242
316 H LYS 39 H LYS 39 -8.192 -2.542 -4.507
317 HA LYS 39 HA LYS 39 -7.317 -1.815 -1.950
318 1HB LYS 39 2HB LYS 39 -7.510 -4.552 -3.231
319 2HB LYS 39 1HB LYS 39 -7.254 -4.278 -1.514
320 1HG LYS 39 2HG LYS 39 -9.391 -3.312 -1.245
321 2HG LYS 39 1HG LYS 39 -9.631 -3.190 -2.988
322 1HD LYS 39 2HD LYS 39 -10.919 -5.043 -2.072
323 2HD LYS 39 1HD LYS 39 -9.654 -5.635 -3.152
324 1HE LYS 39 2HE LYS 39 -8.250 -6.143 -1.203
325 2HE LYS 39 1HE LYS 39 -9.541 -5.588 -0.135
326 1HZ LYS 39 1HZ LYS 39 -10.968 -7.329 -1.001
327 2HZ LYS 39 2HZ LYS 39 -9.540 -8.000 -0.381
328 3HZ LYS 39 3HZ LYS 39 -9.742 -7.849 -2.054
329 H ILE 40 H ILE 40 -5.674 -3.826 -4.381
330 HA ILE 40 HA ILE 40 -3.203 -3.968 -3.038
331 HB ILE 40 HB ILE 40 -3.760 -4.201 -6.004
332 1HG1 ILE 40 2HG1 ILE 40 -3.522 -6.300 -3.832
333 2HG1 ILE 40 1HG1 ILE 40 -4.997 -5.840 -4.678
334 1HG2 ILE 40 1HG2 ILE 40 -1.407 -3.736 -5.583
335 2HG2 ILE 40 2HG2 ILE 40 -1.626 -5.400 -6.123
336 3HG2 ILE 40 3HG2 ILE 40 -1.342 -5.059 -4.418
337 1HD1 ILE 40 1HD1 ILE 40 -4.100 -7.939 -5.515
338 2HD1 ILE 40 2HD1 ILE 40 -2.588 -7.134 -5.932
339 3HD1 ILE 40 3HD1 ILE 40 -4.078 -6.692 -6.763
340 H ALA 41 H ALA 41 -4.530 -1.673 -5.344
341 HA ALA 41 HA ALA 41 -2.263 -0.197 -5.960
342 1HB ALA 41 1HB ALA 41 -4.423 0.092 -7.077
343 2HB ALA 41 2HB ALA 41 -3.765 1.627 -6.514
344 3HB ALA 41 3HB ALA 41 -5.069 0.846 -5.619
345 H VAL 42 H VAL 42 -4.483 0.155 -3.202
346 HA VAL 42 HA VAL 42 -3.304 2.503 -2.180
347 HB VAL 42 HB VAL 42 -4.725 0.386 -0.563
348 1HG1 VAL 42 1HG1 VAL 42 -4.335 3.338 -0.086
349 2HG1 VAL 42 2HG1 VAL 42 -3.525 2.035 0.783
350 3HG1 VAL 42 3HG1 VAL 42 -5.270 2.245 0.933
351 1HG2 VAL 42 1HG2 VAL 42 -6.737 1.759 -0.918
352 2HG2 VAL 42 2HG2 VAL 42 -6.125 1.037 -2.408
353 3HG2 VAL 42 3HG2 VAL 42 -5.827 2.742 -2.066
354 H VAL 43 H VAL 43 -2.862 -0.910 -1.205
355 HA VAL 43 HA VAL 43 -0.997 -0.329 0.805
356 HB VAL 43 HB VAL 43 -0.230 -2.826 0.249
357 1HG1 VAL 43 1HG1 VAL 43 -2.848 -2.036 1.520
358 2HG1 VAL 43 2HG1 VAL 43 -1.270 -2.056 2.309
359 3HG1 VAL 43 3HG1 VAL 43 -2.004 -3.564 1.768
360 1HG2 VAL 43 1HG2 VAL 43 -2.196 -4.090 -0.568
361 2HG2 VAL 43 2HG2 VAL 43 -1.485 -3.048 -1.802
362 3HG2 VAL 43 3HG2 VAL 43 -2.969 -2.559 -0.983
363 H ARG 44 H ARG 44 -0.373 -1.246 -2.613
364 HA ARG 44 HA ARG 44 2.457 -1.001 -2.220
365 1HB ARG 44 2HB ARG 44 2.657 -1.140 -4.663
366 2HB ARG 44 1HB ARG 44 1.687 -2.437 -3.995
367 1HG ARG 44 2HG ARG 44 0.588 -1.800 -5.948
368 2HG ARG 44 1HG ARG 44 -0.335 -1.051 -4.648
369 1HD ARG 44 2HD ARG 44 0.065 0.414 -6.640
370 2HD ARG 44 1HD ARG 44 0.593 1.085 -5.098
371 HE ARG 44 HE ARG 44 2.634 -0.304 -6.602
372 1HH1 ARG 44 1HH1 ARG 44 1.094 2.745 -5.899
373 2HH1 ARG 44 2HH1 ARG 44 2.433 3.702 -6.444
374 1HH2 ARG 44 1HH2 ARG 44 4.405 0.955 -7.353
375 2HH2 ARG 44 2HH2 ARG 44 4.309 2.682 -7.297
376 H GLY 45 H GLY 45 -0.110 1.176 -2.985
377 1HA GLY 45 2HA GLY 45 1.505 3.198 -4.179
378 2HA GLY 45 1HA GLY 45 -0.143 3.391 -3.600
379 H VAL 46 H VAL 46 0.293 2.646 -0.905
380 HA VAL 46 HA VAL 46 1.532 5.096 -0.007
381 HB VAL 46 HB VAL 46 0.730 4.501 2.235
382 1HG1 VAL 46 1HG1 VAL 46 -1.339 4.148 0.068
383 2HG1 VAL 46 2HG1 VAL 46 -0.771 5.679 0.736
384 3HG1 VAL 46 3HG1 VAL 46 -1.682 4.559 1.748
385 1HG2 VAL 46 1HG2 VAL 46 0.981 2.064 2.129
386 2HG2 VAL 46 2HG2 VAL 46 -0.347 1.981 0.972
387 3HG2 VAL 46 3HG2 VAL 46 -0.647 2.527 2.622
388 H ILE 47 H ILE 47 2.034 1.615 0.606
389 HA ILE 47 HA ILE 47 4.216 1.968 2.349
390 HB ILE 47 HB ILE 47 3.330 -0.420 0.738
391 1HG1 ILE 47 2HG1 ILE 47 3.046 0.238 3.679
392 2HG1 ILE 47 1HG1 ILE 47 1.769 0.384 2.478
393 1HG2 ILE 47 1HG2 ILE 47 4.756 -1.767 2.221
394 2HG2 ILE 47 2HG2 ILE 47 5.423 -0.282 2.899
395 3HG2 ILE 47 3HG2 ILE 47 5.685 -0.670 1.199
396 1HD1 ILE 47 1HD1 ILE 47 3.131 -2.168 3.314
397 2HD1 ILE 47 2HD1 ILE 47 1.861 -2.032 2.097
398 3HD1 ILE 47 3HD1 ILE 47 1.515 -1.645 3.783
399 H TYR 48 H TYR 48 4.139 1.034 -1.097
400 HA TYR 48 HA TYR 48 7.048 1.152 -1.201
401 1HB TYR 48 2HB TYR 48 5.845 -0.666 -2.351
402 2HB TYR 48 1HB TYR 48 4.988 0.514 -3.333
403 HD1 TYR 48 HD1 TYR 48 5.985 1.452 -5.280
404 HD2 TYR 48 HD2 TYR 48 8.288 -1.033 -2.701
405 HE1 TYR 48 HE1 TYR 48 7.739 1.308 -6.996
406 HE2 TYR 48 HE2 TYR 48 10.051 -1.183 -4.413
407 HH TYR 48 HH TYR 48 10.071 0.836 -7.201
408 H GLY 49 H GLY 49 4.391 3.209 -1.720
409 1HA GLY 49 2HA GLY 49 5.818 4.788 -3.734
410 2HA GLY 49 1HA GLY 49 4.096 4.852 -3.429
411 H LEU 50 H LEU 50 3.572 5.667 -1.076
412 HA LEU 50 HA LEU 50 4.842 8.307 -1.247
413 1HB LEU 50 2HB LEU 50 2.041 7.449 -0.613
414 2HB LEU 50 1HB LEU 50 2.617 9.040 -0.166
415 HG LEU 50 HG LEU 50 1.408 9.240 -2.216
416 1HD1 LEU 50 1HD1 LEU 50 3.380 10.621 -2.046
417 2HD1 LEU 50 2HD1 LEU 50 3.098 10.142 -3.721
418 3HD1 LEU 50 3HD1 LEU 50 4.357 9.348 -2.773
419 1HD2 LEU 50 1HD2 LEU 50 3.226 7.131 -3.365
420 2HD2 LEU 50 2HD2 LEU 50 2.001 8.041 -4.251
421 3HD2 LEU 50 3HD2 LEU 50 1.520 6.927 -2.970
422 H ILE 51 H ILE 51 2.926 6.696 1.349
423 HA ILE 51 HA ILE 51 4.785 8.000 3.219
424 HB ILE 51 HB ILE 51 3.035 8.715 4.650
425 1HG1 ILE 51 2HG1 ILE 51 1.537 6.743 4.332
426 2HG1 ILE 51 1HG1 ILE 51 0.690 8.281 4.332
427 1HG2 ILE 51 1HG2 ILE 51 1.809 10.289 3.243
428 2HG2 ILE 51 2HG2 ILE 51 2.279 9.374 1.811
429 3HG2 ILE 51 3HG2 ILE 51 3.508 10.187 2.781
430 1HD1 ILE 51 1HD1 ILE 51 -0.172 6.746 2.651
431 2HD1 ILE 51 2HD1 ILE 51 1.415 6.693 1.885
432 3HD1 ILE 51 3HD1 ILE 51 0.503 8.202 1.919
433 H THR 52 H THR 52 4.234 7.228 5.573
434 HA THR 52 HA THR 52 4.829 4.417 5.534
435 HB THR 52 HB THR 52 5.031 4.669 8.008
436 HG1 THR 52 HG1 THR 52 4.376 7.398 7.434
437 1HG2 THR 52 1HG2 THR 52 6.520 6.750 6.402
438 2HG2 THR 52 2HG2 THR 52 6.972 5.053 6.560
439 3HG2 THR 52 3HG2 THR 52 7.005 6.112 7.972
440 H LEU 53 H LEU 53 3.741 2.989 7.229
441 HA LEU 53 HA LEU 53 1.031 2.729 6.449
442 1HB LEU 53 2HB LEU 53 2.398 0.787 6.977
443 2HB LEU 53 1HB LEU 53 2.595 1.341 8.626
444 HG LEU 53 HG LEU 53 0.162 1.034 8.997
445 1HD1 LEU 53 1HD1 LEU 53 -0.612 1.332 6.718
446 2HD1 LEU 53 2HD1 LEU 53 -1.136 -0.231 7.347
447 3HD1 LEU 53 3HD1 LEU 53 0.220 -0.144 6.223
448 1HD2 LEU 53 1HD2 LEU 53 0.207 -1.419 9.019
449 2HD2 LEU 53 2HD2 LEU 53 1.712 -0.724 9.622
450 3HD2 LEU 53 3HD2 LEU 53 1.641 -1.393 7.991
451 H ALA 54 H ALA 54 2.620 4.086 9.271
452 HA ALA 54 HA ALA 54 0.431 4.277 10.993
453 1HB ALA 54 1HB ALA 54 1.635 6.102 12.078
454 2HB ALA 54 2HB ALA 54 2.712 6.232 10.687
455 3HB ALA 54 3HB ALA 54 2.727 4.775 11.683
456 H GLU 55 H GLU 55 1.568 6.468 8.480
457 HA GLU 55 HA GLU 55 -0.419 8.456 8.898
458 1HB GLU 55 2HB GLU 55 1.215 7.920 6.409
459 2HB GLU 55 1HB GLU 55 0.433 9.433 6.849
460 1HG GLU 55 2HG GLU 55 1.930 9.766 8.669
461 2HG GLU 55 1HG GLU 55 2.600 8.148 8.487
462 H ALA 56 H ALA 56 -0.126 5.680 6.744
463 HA ALA 56 HA ALA 56 -2.545 6.370 5.287
464 1HB ALA 56 1HB ALA 56 -0.606 5.410 4.136
465 2HB ALA 56 2HB ALA 56 -2.053 4.418 3.947
466 3HB ALA 56 3HB ALA 56 -0.791 3.929 5.077
467 H LYS 57 H LYS 57 -1.914 4.663 8.167
468 HA LYS 57 HA LYS 57 -4.300 3.014 7.812
469 1HB LYS 57 2HB LYS 57 -2.236 2.073 8.909
470 2HB LYS 57 1HB LYS 57 -2.540 3.157 10.261
471 1HG LYS 57 2HG LYS 57 -4.621 2.074 10.745
472 2HG LYS 57 1HG LYS 57 -4.505 1.097 9.279
473 1HD LYS 57 2HD LYS 57 -3.859 -0.296 11.094
474 2HD LYS 57 1HD LYS 57 -2.386 0.127 10.220
475 1HE LYS 57 2HE LYS 57 -1.933 0.303 12.559
476 2HE LYS 57 1HE LYS 57 -1.998 1.935 11.893
477 1HZ LYS 57 1HZ LYS 57 -3.176 1.637 14.047
478 2HZ LYS 57 2HZ LYS 57 -4.290 0.625 13.255
479 3HZ LYS 57 3HZ LYS 57 -4.151 2.256 12.805
480 H GLN 58 H GLN 58 -3.126 5.700 9.785
481 HA GLN 58 HA GLN 58 -5.633 5.980 11.134
482 1HB GLN 58 2HB GLN 58 -3.091 7.537 11.043
483 2HB GLN 58 1HB GLN 58 -4.540 8.342 11.629
484 1HG GLN 58 2HG GLN 58 -3.257 7.417 13.469
485 2HG GLN 58 1HG GLN 58 -4.823 6.622 13.335
486 1HE2 GLN 58 1HE2 GLN 58 -1.395 6.270 13.059
487 2HE2 GLN 58 2HE2 GLN 58 -1.363 4.545 12.910
488 H THR 59 H THR 59 -4.367 6.992 8.096
489 HA THR 59 HA THR 59 -6.611 8.834 7.719
490 HB THR 59 HB THR 59 -4.344 8.278 5.800
491 HG1 THR 59 HG1 THR 59 -3.283 9.317 7.341
492 1HG2 THR 59 1HG2 THR 59 -6.357 10.530 5.947
493 2HG2 THR 59 2HG2 THR 59 -6.349 9.229 4.759
494 3HG2 THR 59 3HG2 THR 59 -5.037 10.405 4.785
495 H TYR 60 H TYR 60 -5.061 6.267 5.713
496 HA TYR 60 HA TYR 60 -7.694 5.771 4.537
497 1HB TYR 60 2HB TYR 60 -4.998 4.875 3.541
498 2HB TYR 60 1HB TYR 60 -6.528 4.585 2.745
499 HD1 TYR 60 HD1 TYR 60 -3.894 7.028 3.367
500 HD2 TYR 60 HD2 TYR 60 -7.734 6.405 1.648
501 HE1 TYR 60 HE1 TYR 60 -3.638 9.098 2.065
502 HE2 TYR 60 HE2 TYR 60 -7.492 8.474 0.343
503 HH TYR 60 HH TYR 60 -6.266 10.527 0.347
504 H GLY 61 H GLY 61 -6.533 4.657 7.159
505 1HA GLY 61 2HA GLY 61 -5.784 1.960 6.622
506 2HA GLY 61 1HA GLY 61 -6.094 2.657 8.203
507 H LEU 62 H LEU 62 -8.818 3.464 6.907
508 HA LEU 62 HA LEU 62 -10.962 2.712 7.030
509 1HB LEU 62 2HB LEU 62 -10.284 -0.052 6.246
510 2HB LEU 62 1HB LEU 62 -11.452 1.056 5.555
511 HG LEU 62 HG LEU 62 -8.852 2.038 4.944
512 1HD1 LEU 62 1HD1 LEU 62 -9.248 -0.864 4.242
513 2HD1 LEU 62 2HD1 LEU 62 -8.038 -0.214 5.353
514 3HD1 LEU 62 3HD1 LEU 62 -7.965 0.186 3.635
515 1HD2 LEU 62 1HD2 LEU 62 -10.898 0.711 3.180
516 2HD2 LEU 62 2HD2 LEU 62 -9.593 1.785 2.667
517 3HD2 LEU 62 3HD2 LEU 62 -10.910 2.410 3.659
518 H SER 63 H SER 63 -9.949 -0.564 7.541
519 HA SER 63 HA SER 63 -10.182 -0.263 10.457
520 1HB SER 63 2HB SER 63 -10.975 -2.782 8.998
521 2HB SER 63 1HB SER 63 -11.398 -2.286 10.636
522 HG SER 63 HG SER 63 -12.399 -1.297 8.168
523 H ASP 64 H ASP 64 -8.629 -1.447 11.623
524 HA ASP 64 HA ASP 64 -6.104 -1.589 10.578
525 1HB ASP 64 2HB ASP 64 -7.327 -3.024 12.920
526 2HB ASP 64 1HB ASP 64 -5.627 -3.223 12.516
527 H GLU 65 H GLU 65 -8.095 -4.493 11.215
528 HA GLU 65 HA GLU 65 -6.248 -6.198 9.885
529 1HB GLU 65 2HB GLU 65 -9.106 -6.663 10.732
530 2HB GLU 65 1HB GLU 65 -8.031 -7.916 10.125
531 1HG GLU 65 2HG GLU 65 -7.541 -6.261 12.589
532 2HG GLU 65 1HG GLU 65 -8.201 -7.895 12.569
533 H GLU 66 H GLU 66 -9.105 -4.474 8.907
534 HA GLU 66 HA GLU 66 -9.629 -5.675 6.441
535 1HB GLU 66 2HB GLU 66 -11.045 -3.956 7.537
536 2HB GLU 66 1HB GLU 66 -9.836 -2.746 7.159
537 1HG GLU 66 2HG GLU 66 -10.301 -2.824 4.878
538 2HG GLU 66 1HG GLU 66 -11.182 -4.345 5.020
539 H PHE 67 H PHE 67 -7.414 -3.006 7.229
540 HA PHE 67 HA PHE 67 -6.407 -2.756 4.569
541 1HB PHE 67 2HB PHE 67 -6.387 -0.964 6.378
542 2HB PHE 67 1HB PHE 67 -5.054 -1.842 7.116
543 HD1 PHE 67 HD1 PHE 67 -2.884 -2.026 5.912
544 HD2 PHE 67 HD2 PHE 67 -6.071 0.403 4.476
545 HE1 PHE 67 HE1 PHE 67 -1.307 -0.819 4.458
546 HE2 PHE 67 HE2 PHE 67 -4.500 1.607 3.016
547 HZ PHE 67 HZ PHE 67 -2.117 0.999 3.005
548 H ASN 68 H ASN 68 -5.302 -4.327 7.548
549 HA ASN 68 HA ASN 68 -2.834 -5.289 6.617
550 1HB ASN 68 2HB ASN 68 -4.704 -6.339 8.745
551 2HB ASN 68 1HB ASN 68 -3.139 -7.073 8.414
552 1HD2 ASN 68 1HD2 ASN 68 -4.118 -5.771 10.842
553 2HD2 ASN 68 2HD2 ASN 68 -3.021 -4.466 11.158
554 H SER 69 H SER 69 -6.071 -6.416 6.093
555 HA SER 69 HA SER 69 -5.511 -9.032 5.225
556 1HB SER 69 2HB SER 69 -7.785 -8.227 5.766
557 2HB SER 69 1HB SER 69 -7.745 -7.182 4.347
558 HG SER 69 HG SER 69 -8.403 -9.780 4.515
559 H TRP 70 H TRP 70 -5.321 -5.909 3.629
560 HA TRP 70 HA TRP 70 -5.069 -6.962 0.988
561 1HB TRP 70 2HB TRP 70 -4.129 -4.285 2.044
562 2HB TRP 70 1HB TRP 70 -4.387 -4.708 0.357
563 HD1 TRP 70 HD1 TRP 70 -7.267 -6.199 1.881
564 HE1 TRP 70 HE1 TRP 70 -9.304 -4.616 1.914
565 HE3 TRP 70 HE3 TRP 70 -4.871 -1.789 0.901
566 HZ2 TRP 70 HZ2 TRP 70 -9.814 -1.872 1.539
567 HZ3 TRP 70 HZ3 TRP 70 -6.214 0.267 0.747
568 HH2 TRP 70 HH2 TRP 70 -8.629 0.225 1.058
569 H VAL 71 H VAL 71 -2.827 -5.904 3.482
570 HA VAL 71 HA VAL 71 -0.449 -6.256 1.990
571 HB VAL 71 HB VAL 71 -0.695 -6.469 4.982
572 1HG1 VAL 71 1HG1 VAL 71 1.587 -5.552 4.959
573 2HG1 VAL 71 2HG1 VAL 71 1.568 -5.604 3.195
574 3HG1 VAL 71 3HG1 VAL 71 1.470 -7.100 4.123
575 1HG2 VAL 71 1HG2 VAL 71 -1.848 -4.455 4.294
576 2HG2 VAL 71 2HG2 VAL 71 -0.465 -3.974 3.311
577 3HG2 VAL 71 3HG2 VAL 71 -0.319 -4.041 5.068
578 H SER 72 H SER 72 -2.259 -8.371 4.187
579 HA SER 72 HA SER 72 -0.302 -10.427 4.214
580 1HB SER 72 2HB SER 72 -2.199 -11.821 5.153
581 2HB SER 72 1HB SER 72 -1.819 -10.346 6.045
582 HG SER 72 HG SER 72 -3.657 -9.455 5.409
583 H ALA 73 H ALA 73 -2.889 -9.613 2.033
584 HA ALA 73 HA ALA 73 -2.923 -12.133 0.668
585 1HB ALA 73 1HB ALA 73 -4.814 -10.572 0.538
586 2HB ALA 73 2HB ALA 73 -4.182 -10.951 -1.065
587 3HB ALA 73 3HB ALA 73 -3.795 -9.408 -0.305
588 H LEU 74 H LEU 74 -1.149 -9.148 0.442
589 HA LEU 74 HA LEU 74 0.261 -9.887 -1.965
590 1HB LEU 74 2HB LEU 74 0.594 -7.625 0.005
591 2HB LEU 74 1HB LEU 74 1.565 -7.806 -1.450
592 HG LEU 74 HG LEU 74 -1.434 -7.472 -1.411
593 1HD1 LEU 74 1HD1 LEU 74 -0.290 -5.470 -0.643
594 2HD1 LEU 74 2HD1 LEU 74 -1.005 -5.227 -2.239
595 3HD1 LEU 74 3HD1 LEU 74 0.732 -5.491 -2.080
596 1HD2 LEU 74 1HD2 LEU 74 -0.634 -8.730 -3.340
597 2HD2 LEU 74 2HD2 LEU 74 0.540 -7.461 -3.693
598 3HD2 LEU 74 3HD2 LEU 74 -1.187 -7.125 -3.820
599 H ALA 75 H ALA 75 0.557 -10.500 1.352
600 HA ALA 75 HA ALA 75 3.404 -10.872 1.430
601 1HB ALA 75 1HB ALA 75 3.009 -11.844 3.635
602 2HB ALA 75 2HB ALA 75 1.272 -11.831 3.338
603 3HB ALA 75 3HB ALA 75 2.158 -10.309 3.460
604 H GLU 76 H GLU 76 0.669 -12.695 0.502
605 HA GLU 76 HA GLU 76 0.397 -14.728 -0.450
606 1HB GLU 76 2HB GLU 76 2.533 -14.171 -1.631
607 2HB GLU 76 1HB GLU 76 3.403 -15.009 -0.354
608 1HG GLU 76 2HG GLU 76 2.149 -17.070 -0.930
609 2HG GLU 76 1HG GLU 76 1.438 -16.203 -2.292
610 H HIS 77 H HIS 77 3.192 -15.175 1.697
611 HA HIS 77 HA HIS 77 1.896 -17.547 2.789
612 1HB HIS 77 2HB HIS 77 4.470 -17.121 2.040
613 2HB HIS 77 1HB HIS 77 4.579 -16.793 3.767
614 HD1 HIS 77 HD1 HIS 77 5.359 -18.813 4.956
615 HD2 HIS 77 HD2 HIS 77 2.838 -19.747 1.773
616 HE1 HIS 77 HE1 HIS 77 5.138 -21.325 4.969
617 HE2 HIS 77 HE2 HIS 77 3.451 -21.845 3.171
618 H GLY 78 H GLY 78 2.623 -14.288 3.642
619 1HA GLY 78 2HA GLY 78 1.426 -13.138 5.302
620 2HA GLY 78 1HA GLY 78 1.023 -14.674 6.047
621 H LYS 79 H LYS 79 2.791 -15.788 7.206
622 HA LYS 79 HA LYS 79 3.831 -13.968 9.123
623 1HB LYS 79 2HB LYS 79 3.018 -16.274 9.638
624 2HB LYS 79 1HB LYS 79 4.442 -16.913 8.829
625 1HG LYS 79 2HG LYS 79 5.890 -15.914 10.468
626 2HG LYS 79 1HG LYS 79 4.518 -15.108 11.236
627 1HD LYS 79 2HD LYS 79 3.539 -17.348 11.706
628 2HD LYS 79 1HD LYS 79 5.016 -18.079 11.069
629 1HE LYS 79 2HE LYS 79 6.333 -17.042 12.799
630 2HE LYS 79 1HE LYS 79 4.933 -16.136 13.376
631 1HZ LYS 79 1HZ LYS 79 5.317 -19.083 13.483
632 2HZ LYS 79 2HZ LYS 79 3.872 -18.295 13.884
633 3HZ LYS 79 3HZ LYS 79 5.269 -18.007 14.797
634 H ASP 80 H ASP 80 5.126 -15.478 6.320
635 HA ASP 80 HA ASP 80 7.899 -15.028 6.928
636 1HB ASP 80 2HB ASP 80 6.536 -15.600 4.285
637 2HB ASP 80 1HB ASP 80 8.268 -15.657 4.570
638 H ALA 81 H ALA 81 6.217 -12.731 7.220
639 HA ALA 81 HA ALA 81 6.166 -11.003 5.016
640 1HB ALA 81 1HB ALA 81 5.649 -9.260 6.610
641 2HB ALA 81 2HB ALA 81 6.231 -10.266 7.938
642 3HB ALA 81 3HB ALA 81 4.790 -10.741 7.039
643 H LEU 82 H LEU 82 8.768 -11.957 6.986
644 HA LEU 82 HA LEU 82 10.378 -9.610 6.747
645 1HB LEU 82 2HB LEU 82 11.234 -12.460 7.257
646 2HB LEU 82 1HB LEU 82 12.189 -11.019 7.559
647 HG LEU 82 HG LEU 82 9.622 -11.735 8.985
648 1HD1 LEU 82 1HD1 LEU 82 11.461 -13.232 9.572
649 2HD1 LEU 82 2HD1 LEU 82 11.049 -12.163 10.915
650 3HD1 LEU 82 3HD1 LEU 82 12.481 -11.843 9.937
651 1HD2 LEU 82 1HD2 LEU 82 11.591 -9.496 9.450
652 2HD2 LEU 82 2HD2 LEU 82 10.215 -9.883 10.480
653 3HD2 LEU 82 3HD2 LEU 82 9.952 -9.328 8.825
654 H LYS 83 H LYS 83 9.651 -12.284 4.718
655 HA LYS 83 HA LYS 83 11.846 -11.612 2.883
656 1HB LYS 83 2HB LYS 83 11.727 -13.951 3.683
657 2HB LYS 83 1HB LYS 83 10.109 -14.088 3.011
658 1HG LYS 83 2HG LYS 83 10.969 -13.859 0.778
659 2HG LYS 83 1HG LYS 83 12.594 -13.554 1.399
660 1HD LYS 83 2HD LYS 83 12.321 -15.871 0.612
661 2HD LYS 83 1HD LYS 83 12.684 -15.794 2.335
662 1HE LYS 83 2HE LYS 83 10.960 -17.425 1.988
663 2HE LYS 83 1HE LYS 83 10.260 -16.030 2.805
664 1HZ LYS 83 1HZ LYS 83 8.761 -16.677 1.117
665 2HZ LYS 83 2HZ LYS 83 9.980 -16.784 -0.051
666 3HZ LYS 83 3HZ LYS 83 9.514 -15.269 0.550
667 H VAL 84 H VAL 84 8.677 -10.944 3.416
668 HA VAL 84 HA VAL 84 7.647 -11.127 0.742
669 HB VAL 84 HB VAL 84 6.622 -9.650 3.171
670 1HG1 VAL 84 1HG1 VAL 84 4.510 -9.426 1.964
671 2HG1 VAL 84 2HG1 VAL 84 5.256 -10.122 0.525
672 3HG1 VAL 84 3HG1 VAL 84 5.813 -8.567 1.146
673 1HG2 VAL 84 1HG2 VAL 84 5.781 -12.238 1.888
674 2HG2 VAL 84 2HG2 VAL 84 4.963 -11.455 3.240
675 3HG2 VAL 84 3HG2 VAL 84 6.612 -12.049 3.434
676 H THR 85 H THR 85 7.929 -9.728 -0.850
677 HA THR 85 HA THR 85 9.843 -7.776 -0.875
678 HB THR 85 HB THR 85 7.396 -7.681 -2.637
679 HG1 THR 85 HG1 THR 85 8.900 -9.138 -3.938
680 1HG2 THR 85 1HG2 THR 85 8.985 -6.902 -4.325
681 2HG2 THR 85 2HG2 THR 85 10.299 -7.031 -3.157
682 3HG2 THR 85 3HG2 THR 85 9.014 -5.849 -2.909
683 H ALA 86 H ALA 86 6.309 -7.159 -0.726
684 HA ALA 86 HA ALA 86 6.514 -4.362 -0.626
685 1HB ALA 86 1HB ALA 86 4.302 -6.063 0.501
686 2HB ALA 86 2HB ALA 86 4.466 -5.601 -1.194
687 3HB ALA 86 3HB ALA 86 4.195 -4.366 0.039
688 H LEU 87 H LEU 87 6.671 -6.723 1.963
689 HA LEU 87 HA LEU 87 6.275 -4.704 4.011
690 1HB LEU 87 2HB LEU 87 5.417 -7.138 4.068
691 2HB LEU 87 1HB LEU 87 7.064 -7.574 4.459
692 HG LEU 87 HG LEU 87 5.471 -7.388 6.409
693 1HD1 LEU 87 1HD1 LEU 87 7.077 -6.257 7.872
694 2HD1 LEU 87 2HD1 LEU 87 7.923 -5.637 6.454
695 3HD1 LEU 87 3HD1 LEU 87 7.867 -7.373 6.761
696 1HD2 LEU 87 1HD2 LEU 87 5.721 -4.446 5.809
697 2HD2 LEU 87 2HD2 LEU 87 4.993 -5.146 7.255
698 3HD2 LEU 87 3HD2 LEU 87 4.256 -5.420 5.676
699 H LYS 88 H LYS 88 8.787 -6.804 2.746
700 HA LYS 88 HA LYS 88 10.897 -6.044 4.405
701 1HB LYS 88 2HB LYS 88 11.081 -7.943 2.933
702 2HB LYS 88 1HB LYS 88 10.848 -6.929 1.516
703 1HG LYS 88 2HG LYS 88 12.985 -5.833 1.940
704 2HG LYS 88 1HG LYS 88 13.216 -6.841 3.372
705 1HD LYS 88 2HD LYS 88 13.403 -8.806 2.079
706 2HD LYS 88 1HD LYS 88 12.781 -8.008 0.634
707 1HE LYS 88 2HE LYS 88 15.191 -8.335 0.487
708 2HE LYS 88 1HE LYS 88 14.781 -6.622 0.525
709 1HZ LYS 88 1HZ LYS 88 15.880 -8.259 2.741
710 2HZ LYS 88 2HZ LYS 88 15.293 -6.683 2.942
711 3HZ LYS 88 3HZ LYS 88 16.629 -6.965 1.942
712 H LYS 89 H LYS 89 9.556 -4.550 1.505
713 HA LYS 89 HA LYS 89 11.512 -2.506 1.217
714 1HB LYS 89 2HB LYS 89 8.592 -2.570 0.432
715 2HB LYS 89 1HB LYS 89 9.692 -1.273 -0.002
716 1HG LYS 89 2HG LYS 89 10.158 -4.139 -0.777
717 2HG LYS 89 1HG LYS 89 9.250 -3.004 -1.772
718 1HD LYS 89 2HD LYS 89 11.248 -1.518 -1.789
719 2HD LYS 89 1HD LYS 89 12.140 -2.784 -0.940
720 1HE LYS 89 2HE LYS 89 11.841 -4.304 -2.769
721 2HE LYS 89 1HE LYS 89 10.759 -3.181 -3.590
722 1HZ LYS 89 1HZ LYS 89 12.698 -1.618 -3.686
723 2HZ LYS 89 2HZ LYS 89 12.842 -3.012 -4.639
724 3HZ LYS 89 3HZ LYS 89 13.683 -2.902 -3.172
725 H TYR 90 H TYR 90 8.407 -2.618 2.914
726 HA TYR 90 HA TYR 90 8.392 0.053 3.753
727 1HB TYR 90 2HB TYR 90 6.405 -1.397 3.825
728 2HB TYR 90 1HB TYR 90 7.142 -2.336 5.121
729 HD1 TYR 90 HD1 TYR 90 6.602 -1.793 7.314
730 HD2 TYR 90 HD2 TYR 90 6.235 1.198 4.309
731 HE1 TYR 90 HE1 TYR 90 5.681 -0.238 8.980
732 HE2 TYR 90 HE2 TYR 90 5.314 2.759 5.968
733 HH TYR 90 HH TYR 90 5.449 2.157 9.324
734 H ARG 91 H ARG 91 9.545 -2.870 5.455
735 HA ARG 91 HA ARG 91 10.233 -1.396 7.797
736 1HB ARG 91 2HB ARG 91 9.715 -3.831 7.812
737 2HB ARG 91 1HB ARG 91 11.246 -4.129 6.992
738 1HG ARG 91 2HG ARG 91 12.468 -3.222 8.866
739 2HG ARG 91 1HG ARG 91 10.962 -2.799 9.678
740 1HD ARG 91 2HD ARG 91 10.370 -5.192 9.763
741 2HD ARG 91 1HD ARG 91 11.923 -5.583 9.017
742 HE ARG 91 HE ARG 91 12.250 -3.978 11.353
743 1HH1 ARG 91 1HH1 ARG 91 11.624 -7.269 10.316
744 2HH1 ARG 91 2HH1 ARG 91 12.326 -7.988 11.736
745 1HH2 ARG 91 1HH2 ARG 91 13.161 -4.915 13.209
746 2HH2 ARG 91 2HH2 ARG 91 13.205 -6.645 13.387
747 H GLN 92 H GLN 92 12.048 -2.439 4.947
748 HA GLN 92 HA GLN 92 14.616 -1.714 5.892
749 1HB GLN 92 2HB GLN 92 14.162 -3.113 3.862
750 2HB GLN 92 1HB GLN 92 13.633 -1.659 3.026
751 1HG GLN 92 2HG GLN 92 15.872 -2.118 2.376
752 2HG GLN 92 1HG GLN 92 15.889 -0.692 3.411
753 1HE2 GLN 92 1HE2 GLN 92 18.009 -0.942 4.005
754 2HE2 GLN 92 2HE2 GLN 92 18.550 -2.204 5.052
755 H LEU 93 H LEU 93 12.071 0.036 4.208
756 HA LEU 93 HA LEU 93 13.539 2.463 3.936
757 1HB LEU 93 2HB LEU 93 11.742 1.926 2.415
758 2HB LEU 93 1HB LEU 93 10.595 1.838 3.731
759 HG LEU 93 HG LEU 93 10.951 4.289 4.114
760 1HD1 LEU 93 1HD1 LEU 93 12.503 4.070 1.540
761 2HD1 LEU 93 2HD1 LEU 93 13.144 4.525 3.119
762 3HD1 LEU 93 3HD1 LEU 93 11.992 5.579 2.299
763 1HD2 LEU 93 1HD2 LEU 93 10.000 3.494 1.365
764 2HD2 LEU 93 2HD2 LEU 93 9.614 4.997 2.199
765 3HD2 LEU 93 3HD2 LEU 93 9.039 3.459 2.843
766 H LEU 94 H LEU 94 11.726 1.012 6.477
767 HA LEU 94 HA LEU 94 11.240 3.421 7.956
768 1HB LEU 94 2HB LEU 94 10.568 0.646 8.185
769 2HB LEU 94 1HB LEU 94 11.274 1.187 9.695
770 HG LEU 94 HG LEU 94 9.613 2.983 9.846
771 1HD1 LEU 94 1HD1 LEU 94 9.255 3.367 7.473
772 2HD1 LEU 94 2HD1 LEU 94 7.727 3.041 8.294
773 3HD1 LEU 94 3HD1 LEU 94 8.493 1.785 7.321
774 1HD2 LEU 94 1HD2 LEU 94 8.419 0.256 9.377
775 2HD2 LEU 94 2HD2 LEU 94 7.651 1.577 10.258
776 3HD2 LEU 94 3HD2 LEU 94 9.127 0.839 10.884
777 H GLU 95 H GLU 95 13.812 1.139 7.645
778 HA GLU 95 HA GLU 95 15.294 2.064 9.938
779 1HB GLU 95 2HB GLU 95 15.375 -0.223 8.541
780 2HB GLU 95 1HB GLU 95 16.609 0.654 7.652
781 1HG GLU 95 2HG GLU 95 16.626 0.118 10.615
782 2HG GLU 95 1HG GLU 95 17.556 -0.763 9.405
783 H HIS 96 H HIS 96 17.599 1.947 7.631
784 HA HIS 96 HA HIS 96 17.050 4.155 5.992
785 1HB HIS 96 2HB HIS 96 18.555 5.847 6.812
786 2HB HIS 96 1HB HIS 96 17.420 5.437 8.082
787 HD1 HIS 96 HD1 HIS 96 18.554 3.609 9.917
788 HD2 HIS 96 HD2 HIS 96 21.099 6.005 7.659
789 HE1 HIS 96 HE1 HIS 96 20.727 3.660 11.169
790 HE2 HIS 96 HE2 HIS 96 22.238 5.165 9.830
791 H HIS 97 H HIS 97 19.917 2.729 7.569
792 HA HIS 97 HA HIS 97 20.918 1.545 5.201
793 1HB HIS 97 2HB HIS 97 22.059 4.238 5.968
794 2HB HIS 97 1HB HIS 97 23.025 3.042 5.121
795 HD1 HIS 97 HD1 HIS 97 20.594 5.723 4.575
796 HD2 HIS 97 HD2 HIS 97 21.966 2.397 2.476
797 HE1 HIS 97 HE1 HIS 97 19.875 6.077 2.190
798 HE2 HIS 97 HE2 HIS 97 20.827 4.119 0.912
799 H HIS 98 H HIS 98 21.085 -0.146 6.720
800 HA HIS 98 HA HIS 98 23.466 -0.019 8.411
801 1HB HIS 98 2HB HIS 98 21.456 0.592 9.811
802 2HB HIS 98 1HB HIS 98 20.801 -1.001 9.462
803 HD1 HIS 98 HD1 HIS 98 21.621 -2.928 10.881
804 HD2 HIS 98 HD2 HIS 98 23.789 0.572 11.465
805 HE1 HIS 98 HE1 HIS 98 23.104 -3.371 12.859
806 HE2 HIS 98 HE2 HIS 98 24.540 -1.317 13.069
807 H HIS 99 H HIS 99 24.583 -1.937 8.436
808 HA HIS 99 HA HIS 99 23.253 -4.190 7.078
809 1HB HIS 99 2HB HIS 99 25.380 -4.943 6.248
810 2HB HIS 99 1HB HIS 99 25.187 -3.254 5.827
811 HD1 HIS 99 HD1 HIS 99 27.850 -3.496 5.474
812 HD2 HIS 99 HD2 HIS 99 26.512 -3.646 9.411
813 HE1 HIS 99 HE1 HIS 99 29.874 -3.095 6.899
814 HE2 HIS 99 HE2 HIS 99 29.085 -3.423 9.261
815 H HIS 100 H HIS 100 24.256 -6.374 7.679
816 HA HIS 100 HA HIS 100 25.392 -6.495 10.331
817 1HB HIS 100 2HB HIS 100 23.677 -8.258 11.047
818 2HB HIS 100 1HB HIS 100 23.164 -6.579 11.092
819 HD1 HIS 100 HD1 HIS 100 21.053 -6.024 9.900
820 HD2 HIS 100 HD2 HIS 100 22.562 -9.734 8.765
821 HE1 HIS 100 HE1 HIS 100 19.288 -7.057 8.430
822 HE2 HIS 100 HE2 HIS 100 20.125 -9.391 7.966
823 H HIS 101 H HIS 101 27.180 -7.279 9.265
824 HA HIS 101 HA HIS 101 27.313 -10.081 8.917
825 1HB HIS 101 2HB HIS 101 26.227 -9.608 6.769
826 2HB HIS 101 1HB HIS 101 27.469 -8.422 6.384
827 HD1 HIS 101 HD1 HIS 101 27.158 -12.161 7.027
828 HD2 HIS 101 HD2 HIS 101 29.608 -9.445 5.039
829 HE1 HIS 101 HE1 HIS 101 28.813 -13.551 5.743
830 HE2 HIS 101 HE2 HIS 101 30.391 -11.890 4.690
Start of MODEL 10
1 1H MET 1 1H MET 1 -1.391 16.426 -24.606
2 2H MET 1 2H MET 1 -1.341 16.302 -22.917
3 3H MET 1 3H MET 1 -0.606 15.112 -23.876
4 HA MET 1 HA MET 1 0.982 16.727 -24.704
5 1HB MET 1 2HB MET 1 -0.520 18.544 -22.817
6 2HB MET 1 1HB MET 1 1.116 18.892 -23.346
7 1HG MET 1 2HG MET 1 -0.395 20.154 -24.676
8 2HG MET 1 1HG MET 1 0.311 18.893 -25.683
9 1HE MET 1 1HE MET 1 -1.593 19.332 -27.512
10 2HE MET 1 2HE MET 1 -2.256 20.592 -26.473
11 3HE MET 1 3HE MET 1 -3.314 19.341 -27.130
12 H MET 2 H MET 2 2.970 17.076 -23.585
13 HA MET 2 HA MET 2 3.149 15.599 -21.063
14 1HB MET 2 2HB MET 2 5.549 15.580 -21.444
15 2HB MET 2 1HB MET 2 4.716 15.049 -22.899
16 1HG MET 2 2HG MET 2 5.026 17.236 -23.906
17 2HG MET 2 1HG MET 2 5.804 17.821 -22.437
18 1HE MET 2 1HE MET 2 6.167 14.337 -24.261
19 2HE MET 2 2HE MET 2 7.601 14.626 -25.247
20 3HE MET 2 3HE MET 2 6.109 15.501 -25.588
21 H PHE 3 H PHE 3 2.200 18.457 -21.633
22 HA PHE 3 HA PHE 3 2.200 20.498 -20.674
23 1HB PHE 3 2HB PHE 3 3.918 19.165 -18.567
24 2HB PHE 3 1HB PHE 3 3.252 20.789 -18.435
25 HD1 PHE 3 HD1 PHE 3 0.814 21.109 -18.217
26 HD2 PHE 3 HD2 PHE 3 2.591 17.243 -18.161
27 HE1 PHE 3 HE1 PHE 3 -1.244 20.182 -17.240
28 HE2 PHE 3 HE2 PHE 3 0.536 16.310 -17.178
29 HZ PHE 3 HZ PHE 3 -1.383 17.776 -16.719
30 H LEU 4 H LEU 4 5.440 19.573 -19.663
31 HA LEU 4 HA LEU 4 6.917 20.642 -21.764
32 1HB LEU 4 2HB LEU 4 5.867 22.781 -20.997
33 2HB LEU 4 1HB LEU 4 6.640 22.555 -19.441
34 HG LEU 4 HG LEU 4 8.854 22.694 -20.535
35 1HD1 LEU 4 1HD1 LEU 4 8.223 21.906 -22.749
36 2HD1 LEU 4 2HD1 LEU 4 9.006 23.484 -22.843
37 3HD1 LEU 4 3HD1 LEU 4 7.254 23.356 -23.003
38 1HD2 LEU 4 1HD2 LEU 4 7.019 25.029 -21.066
39 2HD2 LEU 4 2HD2 LEU 4 8.780 25.096 -20.990
40 3HD2 LEU 4 3HD2 LEU 4 7.851 24.680 -19.550
41 H ARG 5 H ARG 5 6.648 20.321 -18.286
42 HA ARG 5 HA ARG 5 9.466 19.798 -17.904
43 1HB ARG 5 2HB ARG 5 8.097 21.065 -16.278
44 2HB ARG 5 1HB ARG 5 7.128 19.630 -15.993
45 1HG ARG 5 2HG ARG 5 9.136 18.489 -15.136
46 2HG ARG 5 1HG ARG 5 10.042 19.991 -15.346
47 1HD ARG 5 2HD ARG 5 7.594 19.638 -13.619
48 2HD ARG 5 1HD ARG 5 9.255 19.704 -13.034
49 HE ARG 5 HE ARG 5 9.316 22.019 -13.873
50 1HH1 ARG 5 1HH1 ARG 5 6.177 20.532 -13.425
51 2HH1 ARG 5 2HH1 ARG 5 5.366 22.036 -13.100
52 1HH2 ARG 5 1HH2 ARG 5 8.261 23.999 -13.469
53 2HH2 ARG 5 2HH2 ARG 5 6.550 24.017 -13.141
54 H LYS 6 H LYS 6 6.620 18.007 -18.525
55 HA LYS 6 HA LYS 6 6.161 15.808 -18.809
56 1HB LYS 6 2HB LYS 6 9.123 15.452 -18.364
57 2HB LYS 6 1HB LYS 6 8.030 14.131 -18.737
58 1HG LYS 6 2HG LYS 6 7.469 15.247 -20.869
59 2HG LYS 6 1HG LYS 6 8.666 16.491 -20.494
60 1HD LYS 6 2HD LYS 6 9.629 14.804 -21.963
61 2HD LYS 6 1HD LYS 6 10.409 14.764 -20.381
62 1HE LYS 6 2HE LYS 6 8.722 12.928 -19.797
63 2HE LYS 6 1HE LYS 6 8.400 12.845 -21.527
64 1HZ LYS 6 1HZ LYS 6 10.765 12.370 -21.885
65 2HZ LYS 6 2HZ LYS 6 10.025 11.206 -20.899
66 3HZ LYS 6 3HZ LYS 6 11.023 12.384 -20.205
67 H VAL 7 H VAL 7 5.156 14.456 -17.475
68 HA VAL 7 HA VAL 7 5.936 14.477 -14.654
69 HB VAL 7 HB VAL 7 3.436 13.300 -15.881
70 1HG1 VAL 7 1HG1 VAL 7 4.154 13.956 -13.026
71 2HG1 VAL 7 2HG1 VAL 7 3.947 12.348 -13.718
72 3HG1 VAL 7 3HG1 VAL 7 2.562 13.431 -13.574
73 1HG2 VAL 7 1HG2 VAL 7 3.815 16.000 -14.592
74 2HG2 VAL 7 2HG2 VAL 7 2.275 15.316 -15.109
75 3HG2 VAL 7 3HG2 VAL 7 3.514 15.700 -16.304
76 H GLU 8 H GLU 8 7.738 13.133 -14.837
77 HA GLU 8 HA GLU 8 7.108 10.290 -15.286
78 1HB GLU 8 2HB GLU 8 9.451 10.019 -16.102
79 2HB GLU 8 1HB GLU 8 8.460 11.030 -17.143
80 1HG GLU 8 2HG GLU 8 9.472 13.027 -16.195
81 2HG GLU 8 1HG GLU 8 10.445 12.031 -15.115
82 H GLY 9 H GLY 9 7.545 12.369 -12.992
83 1HA GLY 9 2HA GLY 9 8.890 10.545 -11.188
84 2HA GLY 9 1HA GLY 9 9.725 12.067 -11.463
85 HA PRO 10 HA PRO 10 7.283 14.554 -8.718
86 1HB PRO 10 2HB PRO 10 5.485 15.850 -10.474
87 2HB PRO 10 1HB PRO 10 7.004 16.460 -9.837
88 1HG PRO 10 2HG PRO 10 6.429 15.213 -12.461
89 2HG PRO 10 1HG PRO 10 7.635 16.444 -12.040
90 1HD PRO 10 2HD PRO 10 8.340 13.910 -12.525
91 2HD PRO 10 1HD PRO 10 9.149 14.868 -11.269
92 H ARG 11 H ARG 11 6.113 13.143 -7.562
93 HA ARG 11 HA ARG 11 4.286 12.151 -6.672
94 1HB ARG 11 2HB ARG 11 2.753 13.889 -8.613
95 2HB ARG 11 1HB ARG 11 2.043 12.996 -7.275
96 1HG ARG 11 2HG ARG 11 2.346 14.792 -6.019
97 2HG ARG 11 1HG ARG 11 4.085 14.514 -6.134
98 1HD ARG 11 2HD ARG 11 3.594 16.783 -6.796
99 2HD ARG 11 1HD ARG 11 4.129 15.863 -8.202
100 HE ARG 11 HE ARG 11 1.247 16.109 -7.760
101 1HH1 ARG 11 1HH1 ARG 11 4.094 17.160 -9.513
102 2HH1 ARG 11 2HH1 ARG 11 3.197 17.823 -10.844
103 1HH2 ARG 11 1HH2 ARG 11 0.051 17.010 -9.491
104 2HH2 ARG 11 2HH2 ARG 11 0.896 17.756 -10.821
105 H SER 12 H SER 12 5.423 11.472 -9.554
106 HA SER 12 HA SER 12 3.374 9.408 -10.084
107 1HB SER 12 2HB SER 12 4.219 9.445 -12.438
108 2HB SER 12 1HB SER 12 3.485 10.965 -11.925
109 HG SER 12 HG SER 12 6.264 10.532 -11.702
110 H VAL 13 H VAL 13 4.033 7.479 -9.382
111 HA VAL 13 HA VAL 13 6.900 6.839 -9.524
112 HB VAL 13 HB VAL 13 6.390 4.948 -7.989
113 1HG1 VAL 13 1HG1 VAL 13 6.100 6.288 -5.973
114 2HG1 VAL 13 2HG1 VAL 13 5.562 7.654 -6.954
115 3HG1 VAL 13 3HG1 VAL 13 7.216 7.060 -7.101
116 1HG2 VAL 13 1HG2 VAL 13 3.647 6.198 -7.835
117 2HG2 VAL 13 2HG2 VAL 13 4.247 4.904 -6.799
118 3HG2 VAL 13 3HG2 VAL 13 4.038 4.623 -8.528
119 H THR 14 H THR 14 7.634 5.237 -10.804
120 HA THR 14 HA THR 14 5.657 3.764 -12.382
121 HB THR 14 HB THR 14 8.660 3.840 -12.746
122 HG1 THR 14 HG1 THR 14 6.860 5.149 -14.470
123 1HG2 THR 14 1HG2 THR 14 6.445 2.913 -14.590
124 2HG2 THR 14 2HG2 THR 14 7.553 1.861 -13.709
125 3HG2 THR 14 3HG2 THR 14 8.167 2.932 -14.969
126 H LEU 15 H LEU 15 4.985 1.973 -11.423
127 HA LEU 15 HA LEU 15 6.475 0.602 -9.417
128 1HB LEU 15 2HB LEU 15 4.034 -0.302 -10.954
129 2HB LEU 15 1HB LEU 15 4.620 -0.992 -9.452
130 HG LEU 15 HG LEU 15 3.554 1.817 -9.779
131 1HD1 LEU 15 1HD1 LEU 15 1.803 0.159 -10.025
132 2HD1 LEU 15 2HD1 LEU 15 1.651 0.986 -8.477
133 3HD1 LEU 15 3HD1 LEU 15 2.326 -0.642 -8.543
134 1HD2 LEU 15 1HD2 LEU 15 3.619 1.877 -7.336
135 2HD2 LEU 15 2HD2 LEU 15 5.231 1.649 -8.015
136 3HD2 LEU 15 3HD2 LEU 15 4.368 0.280 -7.313
137 HA PRO 16 HA PRO 16 8.581 -2.502 -11.927
138 1HB PRO 16 2HB PRO 16 7.824 -4.507 -9.905
139 2HB PRO 16 1HB PRO 16 9.433 -3.967 -10.394
140 1HG PRO 16 2HG PRO 16 8.393 -3.314 -8.005
141 2HG PRO 16 1HG PRO 16 9.436 -2.200 -8.906
142 1HD PRO 16 2HD PRO 16 6.454 -2.209 -8.641
143 2HD PRO 16 1HD PRO 16 7.582 -0.838 -8.606
144 H ASP 17 H ASP 17 5.374 -2.418 -11.127
145 HA ASP 17 HA ASP 17 4.357 -4.775 -12.339
146 1HB ASP 17 2HB ASP 17 3.022 -3.495 -10.771
147 2HB ASP 17 1HB ASP 17 3.159 -2.055 -11.769
148 H GLY 18 H GLY 18 5.128 -1.535 -13.444
149 1HA GLY 18 2HA GLY 18 5.673 -1.193 -15.808
150 2HA GLY 18 1HA GLY 18 4.363 -2.308 -16.190
151 H SER 19 H SER 19 2.620 -1.261 -14.137
152 HA SER 19 HA SER 19 1.531 0.996 -15.547
153 1HB SER 19 2HB SER 19 0.648 -0.151 -12.888
154 2HB SER 19 1HB SER 19 -0.314 0.810 -14.011
155 HG SER 19 HG SER 19 0.496 -1.882 -14.176
156 H ILE 20 H ILE 20 1.373 3.114 -14.796
157 HA ILE 20 HA ILE 20 3.245 3.805 -12.644
158 HB ILE 20 HB ILE 20 2.993 6.154 -13.486
159 1HG1 ILE 20 2HG1 ILE 20 1.576 4.798 -15.795
160 2HG1 ILE 20 1HG1 ILE 20 0.813 5.854 -14.612
161 1HG2 ILE 20 1HG2 ILE 20 4.420 5.820 -15.450
162 2HG2 ILE 20 2HG2 ILE 20 4.009 4.106 -15.443
163 3HG2 ILE 20 3HG2 ILE 20 4.904 4.802 -14.093
164 1HD1 ILE 20 1HD1 ILE 20 1.233 7.030 -16.686
165 2HD1 ILE 20 2HD1 ILE 20 2.952 6.651 -16.572
166 3HD1 ILE 20 3HD1 ILE 20 2.201 7.714 -15.381
167 H MET 21 H MET 21 2.609 5.143 -10.929
168 HA MET 21 HA MET 21 -0.291 5.561 -10.686
169 1HB MET 21 2HB MET 21 1.592 4.475 -8.602
170 2HB MET 21 1HB MET 21 0.031 5.172 -8.190
171 1HG MET 21 2HG MET 21 -1.053 3.500 -9.651
172 2HG MET 21 1HG MET 21 0.523 2.765 -9.926
173 1HE MET 21 1HE MET 21 -2.290 3.543 -7.311
174 2HE MET 21 2HE MET 21 -0.886 4.361 -6.626
175 3HE MET 21 3HE MET 21 -1.565 2.950 -5.817
176 H THR 22 H THR 22 -0.751 7.602 -10.521
177 HA THR 22 HA THR 22 1.187 9.419 -9.271
178 HB THR 22 HB THR 22 -0.145 11.245 -10.268
179 HG1 THR 22 HG1 THR 22 -1.639 9.109 -11.462
180 1HG2 THR 22 1HG2 THR 22 0.435 10.822 -12.619
181 2HG2 THR 22 2HG2 THR 22 0.694 9.118 -12.242
182 3HG2 THR 22 3HG2 THR 22 1.737 10.348 -11.529
183 H ARG 23 H ARG 23 -0.223 11.383 -8.271
184 HA ARG 23 HA ARG 23 -1.262 10.412 -5.856
185 1HB ARG 23 2HB ARG 23 -0.316 12.760 -6.604
186 2HB ARG 23 1HB ARG 23 -2.006 13.116 -6.901
187 1HG ARG 23 2HG ARG 23 -1.038 12.093 -4.252
188 2HG ARG 23 1HG ARG 23 -1.039 13.808 -4.660
189 1HD ARG 23 2HD ARG 23 -3.472 13.645 -5.112
190 2HD ARG 23 1HD ARG 23 -3.428 11.970 -4.560
191 HE ARG 23 HE ARG 23 -2.314 13.698 -2.599
192 1HH1 ARG 23 1HH1 ARG 23 -5.385 12.696 -3.964
193 2HH1 ARG 23 2HH1 ARG 23 -6.302 13.085 -2.537
194 1HH2 ARG 23 1HH2 ARG 23 -3.502 14.199 -0.715
195 2HH2 ARG 23 2HH2 ARG 23 -5.223 13.926 -0.679
196 H ALA 24 H ALA 24 -2.760 10.970 -8.935
197 HA ALA 24 HA ALA 24 -5.450 10.885 -7.780
198 1HB ALA 24 1HB ALA 24 -4.596 11.369 -10.628
199 2HB ALA 24 2HB ALA 24 -4.968 12.615 -9.434
200 3HB ALA 24 3HB ALA 24 -6.233 11.520 -9.988
201 H ASP 25 H ASP 25 -3.210 8.707 -9.047
202 HA ASP 25 HA ASP 25 -5.041 7.013 -10.466
203 1HB ASP 25 2HB ASP 25 -2.178 6.774 -9.645
204 2HB ASP 25 1HB ASP 25 -3.051 5.321 -10.119
205 H LEU 26 H LEU 26 -3.857 7.214 -7.193
206 HA LEU 26 HA LEU 26 -4.994 4.636 -6.510
207 1HB LEU 26 2HB LEU 26 -4.183 5.228 -4.193
208 2HB LEU 26 1HB LEU 26 -2.952 5.042 -5.425
209 HG LEU 26 HG LEU 26 -3.074 7.624 -5.621
210 1HD1 LEU 26 1HD1 LEU 26 -5.081 7.948 -4.269
211 2HD1 LEU 26 2HD1 LEU 26 -3.693 8.773 -3.556
212 3HD1 LEU 26 3HD1 LEU 26 -4.264 7.251 -2.871
213 1HD2 LEU 26 1HD2 LEU 26 -1.411 7.849 -3.846
214 2HD2 LEU 26 2HD2 LEU 26 -1.158 6.383 -4.793
215 3HD2 LEU 26 3HD2 LEU 26 -1.894 6.282 -3.193
216 HA PRO 27 HA PRO 27 -8.797 6.284 -4.979
217 1HB PRO 27 2HB PRO 27 -9.455 4.353 -3.185
218 2HB PRO 27 1HB PRO 27 -9.555 4.131 -4.931
219 1HG PRO 27 2HG PRO 27 -7.636 3.013 -3.013
220 2HG PRO 27 1HG PRO 27 -8.072 2.441 -4.623
221 1HD PRO 27 2HD PRO 27 -5.756 3.907 -3.853
222 2HD PRO 27 1HD PRO 27 -6.228 3.402 -5.484
223 HA PRO 28 HA PRO 28 -7.154 8.347 -1.287
224 1HB PRO 28 2HB PRO 28 -8.879 10.560 -1.959
225 2HB PRO 28 1HB PRO 28 -7.120 10.470 -2.057
226 1HG PRO 28 2HG PRO 28 -8.765 10.641 -4.238
227 2HG PRO 28 1HG PRO 28 -7.150 9.910 -4.272
228 1HD PRO 28 2HD PRO 28 -9.830 8.584 -4.099
229 2HD PRO 28 1HD PRO 28 -8.395 8.109 -5.036
230 H ALA 29 H ALA 29 -8.752 6.502 -0.535
231 HA ALA 29 HA ALA 29 -10.214 5.872 1.077
232 1HB ALA 29 1HB ALA 29 -11.180 7.487 2.611
233 2HB ALA 29 2HB ALA 29 -10.696 8.811 1.550
234 3HB ALA 29 3HB ALA 29 -9.469 7.828 2.352
235 H ASN 30 H ASN 30 -11.576 8.661 -0.686
236 HA ASN 30 HA ASN 30 -14.128 7.255 -0.829
237 1HB ASN 30 2HB ASN 30 -14.159 9.627 -0.116
238 2HB ASN 30 1HB ASN 30 -13.461 10.089 -1.664
239 1HD2 ASN 30 1HD2 ASN 30 -16.309 8.972 -0.014
240 2HD2 ASN 30 2HD2 ASN 30 -17.412 9.253 -1.322
241 H THR 31 H THR 31 -13.010 5.709 -2.255
242 HA THR 31 HA THR 31 -12.850 6.588 -5.030
243 HB THR 31 HB THR 31 -11.246 4.875 -4.126
244 HG1 THR 31 HG1 THR 31 -11.587 4.974 -6.359
245 1HG2 THR 31 1HG2 THR 31 -12.793 3.624 -2.707
246 2HG2 THR 31 2HG2 THR 31 -12.036 2.560 -3.893
247 3HG2 THR 31 3HG2 THR 31 -13.696 3.104 -4.131
248 H ARG 32 H ARG 32 -14.071 4.865 -6.573
249 HA ARG 32 HA ARG 32 -16.863 5.161 -5.946
250 1HB ARG 32 2HB ARG 32 -16.194 5.489 -8.231
251 2HB ARG 32 1HB ARG 32 -15.438 3.904 -8.296
252 1HG ARG 32 2HG ARG 32 -17.584 3.987 -9.488
253 2HG ARG 32 1HG ARG 32 -17.592 2.823 -8.163
254 1HD ARG 32 2HD ARG 32 -19.678 4.076 -8.219
255 2HD ARG 32 1HD ARG 32 -18.773 4.437 -6.753
256 HE ARG 32 HE ARG 32 -18.040 6.410 -8.488
257 1HH1 ARG 32 1HH1 ARG 32 -21.130 5.181 -7.374
258 2HH1 ARG 32 2HH1 ARG 32 -21.898 6.741 -7.405
259 1HH2 ARG 32 1HH2 ARG 32 -19.075 8.459 -8.546
260 2HH2 ARG 32 2HH2 ARG 32 -20.750 8.588 -8.097
261 H ARG 33 H ARG 33 -14.635 2.418 -6.356
262 HA ARG 33 HA ARG 33 -16.343 0.841 -4.606
263 1HB ARG 33 2HB ARG 33 -17.109 0.471 -6.981
264 2HB ARG 33 1HB ARG 33 -15.526 -0.223 -7.311
265 1HG ARG 33 2HG ARG 33 -15.927 -1.955 -5.645
266 2HG ARG 33 1HG ARG 33 -17.505 -1.248 -5.286
267 1HD ARG 33 2HD ARG 33 -18.127 -1.607 -7.671
268 2HD ARG 33 1HD ARG 33 -16.603 -2.466 -7.890
269 HE ARG 33 HE ARG 33 -18.376 -3.425 -5.782
270 1HH1 ARG 33 1HH1 ARG 33 -17.176 -3.804 -9.050
271 2HH1 ARG 33 2HH1 ARG 33 -17.702 -5.454 -9.189
272 1HH2 ARG 33 1HH2 ARG 33 -19.042 -5.606 -5.960
273 2HH2 ARG 33 2HH2 ARG 33 -18.758 -6.470 -7.441
274 H TRP 34 H TRP 34 -15.147 -0.284 -3.227
275 HA TRP 34 HA TRP 34 -12.282 -0.356 -3.560
276 1HB TRP 34 2HB TRP 34 -14.135 -1.247 -1.365
277 2HB TRP 34 1HB TRP 34 -12.419 -1.627 -1.334
278 HD1 TRP 34 HD1 TRP 34 -14.795 0.986 -0.273
279 HE1 TRP 34 HE1 TRP 34 -13.526 3.096 0.488
280 HE3 TRP 34 HE3 TRP 34 -10.168 -0.143 -2.127
281 HZ2 TRP 34 HZ2 TRP 34 -10.913 4.142 0.314
282 HZ3 TRP 34 HZ3 TRP 34 -8.342 1.465 -1.791
283 HH2 TRP 34 HH2 TRP 34 -8.704 3.565 -0.596
284 H VAL 35 H VAL 35 -12.548 -1.726 -5.565
285 HA VAL 35 HA VAL 35 -13.061 -4.523 -5.163
286 HB VAL 35 HB VAL 35 -12.143 -4.809 -7.449
287 1HG1 VAL 35 1HG1 VAL 35 -14.155 -2.577 -7.192
288 2HG1 VAL 35 2HG1 VAL 35 -14.508 -4.305 -7.131
289 3HG1 VAL 35 3HG1 VAL 35 -13.900 -3.581 -8.619
290 1HG2 VAL 35 1HG2 VAL 35 -10.456 -3.050 -7.392
291 2HG2 VAL 35 2HG2 VAL 35 -11.723 -1.823 -7.344
292 3HG2 VAL 35 3HG2 VAL 35 -11.536 -2.843 -8.770
293 H ALA 36 H ALA 36 -11.347 -6.174 -5.659
294 HA ALA 36 HA ALA 36 -9.285 -6.032 -3.798
295 1HB ALA 36 1HB ALA 36 -9.434 -7.783 -6.251
296 2HB ALA 36 2HB ALA 36 -10.165 -8.133 -4.683
297 3HB ALA 36 3HB ALA 36 -8.410 -8.057 -4.841
298 H SER 37 H SER 37 -9.254 -5.367 -7.260
299 HA SER 37 HA SER 37 -6.512 -5.061 -7.630
300 1HB SER 37 2HB SER 37 -8.720 -3.542 -9.039
301 2HB SER 37 1HB SER 37 -7.090 -3.832 -9.649
302 HG SER 37 HG SER 37 -7.643 -6.144 -9.448
303 H ARG 38 H ARG 38 -8.919 -2.732 -6.478
304 HA ARG 38 HA ARG 38 -7.046 -0.555 -6.484
305 1HB ARG 38 2HB ARG 38 -9.820 -0.827 -5.337
306 2HB ARG 38 1HB ARG 38 -8.847 0.630 -5.149
307 1HG ARG 38 2HG ARG 38 -8.649 0.679 -7.656
308 2HG ARG 38 1HG ARG 38 -9.872 -0.591 -7.690
309 1HD ARG 38 2HD ARG 38 -11.437 0.882 -6.533
310 2HD ARG 38 1HD ARG 38 -10.209 2.151 -6.468
311 HE ARG 38 HE ARG 38 -11.695 1.249 -8.824
312 1HH1 ARG 38 1HH1 ARG 38 -9.238 3.353 -7.467
313 2HH1 ARG 38 2HH1 ARG 38 -9.117 4.344 -8.886
314 1HH2 ARG 38 1HH2 ARG 38 -11.537 2.538 -10.684
315 2HH2 ARG 38 2HH2 ARG 38 -10.409 3.867 -10.730
316 H LYS 39 H LYS 39 -8.236 -2.865 -4.122
317 HA LYS 39 HA LYS 39 -7.143 -1.754 -1.798
318 1HB LYS 39 2HB LYS 39 -7.388 -4.674 -2.568
319 2HB LYS 39 1HB LYS 39 -7.098 -4.078 -0.939
320 1HG LYS 39 2HG LYS 39 -9.265 -3.022 -0.888
321 2HG LYS 39 1HG LYS 39 -9.552 -3.460 -2.576
322 1HD LYS 39 2HD LYS 39 -9.439 -5.839 -1.968
323 2HD LYS 39 1HD LYS 39 -9.168 -5.392 -0.284
324 1HE LYS 39 2HE LYS 39 -11.618 -4.645 -1.875
325 2HE LYS 39 1HE LYS 39 -11.516 -6.030 -0.791
326 1HZ LYS 39 1HZ LYS 39 -11.205 -3.185 -0.009
327 2HZ LYS 39 2HZ LYS 39 -11.048 -4.502 1.042
328 3HZ LYS 39 3HZ LYS 39 -12.545 -4.167 0.317
329 H ILE 40 H ILE 40 -5.730 -4.064 -4.088
330 HA ILE 40 HA ILE 40 -3.170 -4.198 -2.937
331 HB ILE 40 HB ILE 40 -3.956 -4.587 -5.836
332 1HG1 ILE 40 2HG1 ILE 40 -3.662 -6.604 -3.595
333 2HG1 ILE 40 1HG1 ILE 40 -5.192 -6.022 -4.238
334 1HG2 ILE 40 1HG2 ILE 40 -1.501 -5.490 -4.327
335 2HG2 ILE 40 2HG2 ILE 40 -1.560 -4.274 -5.603
336 3HG2 ILE 40 3HG2 ILE 40 -1.917 -5.960 -5.978
337 1HD1 ILE 40 1HD1 ILE 40 -4.665 -7.005 -6.401
338 2HD1 ILE 40 2HD1 ILE 40 -4.624 -8.215 -5.117
339 3HD1 ILE 40 3HD1 ILE 40 -3.118 -7.570 -5.771
340 H ALA 41 H ALA 41 -4.581 -1.987 -5.295
341 HA ALA 41 HA ALA 41 -2.201 -0.669 -6.029
342 1HB ALA 41 1HB ALA 41 -3.623 1.098 -6.884
343 2HB ALA 41 2HB ALA 41 -4.999 0.453 -5.985
344 3HB ALA 41 3HB ALA 41 -4.291 -0.479 -7.304
345 H VAL 42 H VAL 42 -4.436 -0.186 -3.331
346 HA VAL 42 HA VAL 42 -3.431 2.297 -2.478
347 HB VAL 42 HB VAL 42 -4.552 0.145 -0.663
348 1HG1 VAL 42 1HG1 VAL 42 -5.164 2.009 0.773
349 2HG1 VAL 42 2HG1 VAL 42 -4.442 3.142 -0.368
350 3HG1 VAL 42 3HG1 VAL 42 -3.422 1.986 0.491
351 1HG2 VAL 42 1HG2 VAL 42 -6.710 1.234 -0.963
352 2HG2 VAL 42 2HG2 VAL 42 -6.101 0.595 -2.490
353 3HG2 VAL 42 3HG2 VAL 42 -6.005 2.325 -2.154
354 H VAL 43 H VAL 43 -2.640 -1.002 -1.313
355 HA VAL 43 HA VAL 43 -0.614 -0.091 0.421
356 HB VAL 43 HB VAL 43 0.249 -2.574 0.132
357 1HG1 VAL 43 1HG1 VAL 43 -1.472 -3.258 1.793
358 2HG1 VAL 43 2HG1 VAL 43 -2.323 -1.747 1.470
359 3HG1 VAL 43 3HG1 VAL 43 -0.702 -1.716 2.161
360 1HG2 VAL 43 1HG2 VAL 43 -2.549 -2.667 -0.995
361 2HG2 VAL 43 2HG2 VAL 43 -1.667 -4.075 -0.401
362 3HG2 VAL 43 3HG2 VAL 43 -1.063 -3.175 -1.798
363 H ARG 44 H ARG 44 -0.482 -1.007 -2.988
364 HA ARG 44 HA ARG 44 2.338 -0.909 -3.255
365 1HB ARG 44 2HB ARG 44 0.141 -0.287 -5.240
366 2HB ARG 44 1HB ARG 44 1.845 -0.295 -5.663
367 1HG ARG 44 2HG ARG 44 1.957 -2.680 -5.048
368 2HG ARG 44 1HG ARG 44 0.223 -2.650 -4.703
369 1HD ARG 44 2HD ARG 44 -0.217 -1.961 -7.020
370 2HD ARG 44 1HD ARG 44 1.510 -2.012 -7.364
371 HE ARG 44 HE ARG 44 0.514 -4.513 -6.387
372 1HH1 ARG 44 1HH1 ARG 44 0.852 -2.505 -9.223
373 2HH1 ARG 44 2HH1 ARG 44 0.717 -3.822 -10.354
374 1HH2 ARG 44 1HH2 ARG 44 0.327 -6.282 -7.885
375 2HH2 ARG 44 2HH2 ARG 44 0.440 -5.961 -9.585
376 H GLY 45 H GLY 45 -0.161 1.566 -3.755
377 1HA GLY 45 2HA GLY 45 1.629 3.597 -4.552
378 2HA GLY 45 1HA GLY 45 -0.034 3.829 -4.044
379 H VAL 46 H VAL 46 0.186 2.867 -1.378
380 HA VAL 46 HA VAL 46 1.224 5.259 -0.229
381 HB VAL 46 HB VAL 46 0.607 4.310 1.970
382 1HG1 VAL 46 1HG1 VAL 46 -1.804 4.261 1.586
383 2HG1 VAL 46 2HG1 VAL 46 -1.526 4.060 -0.144
384 3HG1 VAL 46 3HG1 VAL 46 -1.028 5.547 0.665
385 1HG2 VAL 46 1HG2 VAL 46 1.052 1.945 1.540
386 2HG2 VAL 46 2HG2 VAL 46 -0.295 1.895 0.404
387 3HG2 VAL 46 3HG2 VAL 46 -0.596 2.193 2.117
388 H ILE 47 H ILE 47 2.211 1.843 0.109
389 HA ILE 47 HA ILE 47 4.328 2.430 1.901
390 HB ILE 47 HB ILE 47 3.837 -0.036 0.227
391 1HG1 ILE 47 2HG1 ILE 47 3.146 0.577 3.109
392 2HG1 ILE 47 1HG1 ILE 47 2.001 0.495 1.772
393 1HG2 ILE 47 1HG2 ILE 47 6.149 0.052 0.929
394 2HG2 ILE 47 2HG2 ILE 47 5.288 -1.190 1.837
395 3HG2 ILE 47 3HG2 ILE 47 5.658 0.358 2.597
396 1HD1 ILE 47 1HD1 ILE 47 3.646 -1.783 2.850
397 2HD1 ILE 47 2HD1 ILE 47 2.551 -1.874 1.470
398 3HD1 ILE 47 3HD1 ILE 47 1.915 -1.529 3.078
399 H TYR 48 H TYR 48 4.370 1.400 -1.512
400 HA TYR 48 HA TYR 48 7.221 1.706 -1.655
401 1HB TYR 48 2HB TYR 48 6.073 -0.054 -2.907
402 2HB TYR 48 1HB TYR 48 5.166 1.158 -3.804
403 HD1 TYR 48 HD1 TYR 48 8.596 -0.131 -3.199
404 HD2 TYR 48 HD2 TYR 48 6.026 2.080 -5.763
405 HE1 TYR 48 HE1 TYR 48 10.367 -0.074 -4.911
406 HE2 TYR 48 HE2 TYR 48 7.785 2.148 -7.481
407 HH TYR 48 HH TYR 48 10.332 2.019 -7.503
408 H GLY 49 H GLY 49 4.488 3.715 -2.284
409 1HA GLY 49 2HA GLY 49 6.027 5.366 -4.146
410 2HA GLY 49 1HA GLY 49 4.287 5.390 -3.954
411 H LEU 50 H LEU 50 3.764 6.021 -1.415
412 HA LEU 50 HA LEU 50 4.805 8.761 -1.573
413 1HB LEU 50 2HB LEU 50 2.128 7.766 -0.626
414 2HB LEU 50 1HB LEU 50 2.633 9.446 -0.610
415 HG LEU 50 HG LEU 50 2.285 7.730 -3.073
416 1HD1 LEU 50 1HD1 LEU 50 0.645 10.016 -1.994
417 2HD1 LEU 50 2HD1 LEU 50 0.170 8.318 -2.034
418 3HD1 LEU 50 3HD1 LEU 50 0.394 9.206 -3.542
419 1HD2 LEU 50 1HD2 LEU 50 2.677 9.778 -4.325
420 2HD2 LEU 50 2HD2 LEU 50 4.076 9.392 -3.323
421 3HD2 LEU 50 3HD2 LEU 50 2.959 10.663 -2.825
422 H ILE 51 H ILE 51 3.193 6.854 1.021
423 HA ILE 51 HA ILE 51 4.858 8.414 2.876
424 HB ILE 51 HB ILE 51 2.995 8.851 4.318
425 1HG1 ILE 51 2HG1 ILE 51 1.722 6.764 3.867
426 2HG1 ILE 51 1HG1 ILE 51 0.715 8.202 3.853
427 1HG2 ILE 51 1HG2 ILE 51 3.387 10.466 2.569
428 2HG2 ILE 51 2HG2 ILE 51 1.663 10.352 2.920
429 3HG2 ILE 51 3HG2 ILE 51 2.320 9.581 1.476
430 1HD1 ILE 51 1HD1 ILE 51 1.714 6.736 1.428
431 2HD1 ILE 51 2HD1 ILE 51 0.680 8.165 1.422
432 3HD1 ILE 51 3HD1 ILE 51 0.087 6.649 2.103
433 H THR 52 H THR 52 4.422 7.632 5.213
434 HA THR 52 HA THR 52 5.019 4.816 5.329
435 HB THR 52 HB THR 52 5.214 5.250 7.793
436 HG1 THR 52 HG1 THR 52 5.324 7.766 8.048
437 1HG2 THR 52 1HG2 THR 52 7.171 5.453 6.337
438 2HG2 THR 52 2HG2 THR 52 7.226 6.644 7.637
439 3HG2 THR 52 3HG2 THR 52 6.760 7.138 6.009
440 H LEU 53 H LEU 53 3.903 3.591 7.212
441 HA LEU 53 HA LEU 53 1.189 3.293 6.509
442 1HB LEU 53 2HB LEU 53 2.492 1.433 7.348
443 2HB LEU 53 1HB LEU 53 2.730 2.246 8.883
444 HG LEU 53 HG LEU 53 0.329 2.054 9.370
445 1HD1 LEU 53 1HD1 LEU 53 -0.552 2.116 7.113
446 2HD1 LEU 53 2HD1 LEU 53 -1.092 0.651 7.935
447 3HD1 LEU 53 3HD1 LEU 53 0.210 0.569 6.749
448 1HD2 LEU 53 1HD2 LEU 53 0.263 -0.366 9.703
449 2HD2 LEU 53 2HD2 LEU 53 1.848 0.294 10.112
450 3HD2 LEU 53 3HD2 LEU 53 1.614 -0.559 8.587
451 H ALA 54 H ALA 54 2.750 5.243 8.936
452 HA ALA 54 HA ALA 54 0.622 5.637 10.712
453 1HB ALA 54 1HB ALA 54 2.896 6.377 11.192
454 2HB ALA 54 2HB ALA 54 1.751 7.708 11.355
455 3HB ALA 54 3HB ALA 54 2.773 7.596 9.924
456 H GLU 55 H GLU 55 1.541 7.486 7.830
457 HA GLU 55 HA GLU 55 -0.654 9.282 7.905
458 1HB GLU 55 2HB GLU 55 1.130 8.404 5.627
459 2HB GLU 55 1HB GLU 55 -0.005 9.743 5.539
460 1HG GLU 55 2HG GLU 55 2.256 9.601 7.510
461 2HG GLU 55 1HG GLU 55 2.375 10.375 5.928
462 H ALA 56 H ALA 56 -0.016 6.272 6.159
463 HA ALA 56 HA ALA 56 -2.437 6.287 4.654
464 1HB ALA 56 1HB ALA 56 -0.418 5.107 3.920
465 2HB ALA 56 2HB ALA 56 -1.812 4.030 4.007
466 3HB ALA 56 3HB ALA 56 -0.584 3.988 5.272
467 H LYS 57 H LYS 57 -1.816 5.500 7.923
468 HA LYS 57 HA LYS 57 -4.104 3.715 8.080
469 1HB LYS 57 2HB LYS 57 -2.030 3.439 9.504
470 2HB LYS 57 1HB LYS 57 -2.526 4.885 10.374
471 1HG LYS 57 2HG LYS 57 -4.586 3.792 11.056
472 2HG LYS 57 1HG LYS 57 -4.140 2.352 10.142
473 1HD LYS 57 2HD LYS 57 -3.633 2.001 12.474
474 2HD LYS 57 1HD LYS 57 -2.126 2.124 11.565
475 1HE LYS 57 2HE LYS 57 -1.892 3.388 13.587
476 2HE LYS 57 1HE LYS 57 -1.996 4.516 12.234
477 1HZ LYS 57 1HZ LYS 57 -4.224 3.789 14.061
478 2HZ LYS 57 2HZ LYS 57 -4.328 4.873 12.764
479 3HZ LYS 57 3HZ LYS 57 -3.345 5.241 14.094
480 H GLN 58 H GLN 58 -3.203 6.998 8.993
481 HA GLN 58 HA GLN 58 -5.593 7.688 10.311
482 1HB GLN 58 2HB GLN 58 -3.628 9.403 8.789
483 2HB GLN 58 1HB GLN 58 -4.933 10.041 9.778
484 1HG GLN 58 2HG GLN 58 -3.968 9.028 11.755
485 2HG GLN 58 1HG GLN 58 -2.687 8.305 10.781
486 1HE2 GLN 58 1HE2 GLN 58 -1.052 9.592 9.977
487 2HE2 GLN 58 2HE2 GLN 58 -0.767 11.201 10.546
488 H THR 59 H THR 59 -4.605 8.025 6.920
489 HA THR 59 HA THR 59 -7.248 9.038 6.238
490 HB THR 59 HB THR 59 -4.906 8.587 4.385
491 HG1 THR 59 HG1 THR 59 -4.046 10.320 5.242
492 1HG2 THR 59 1HG2 THR 59 -6.038 10.268 3.001
493 2HG2 THR 59 2HG2 THR 59 -7.351 10.351 4.177
494 3HG2 THR 59 3HG2 THR 59 -7.068 8.863 3.274
495 H TYR 60 H TYR 60 -5.146 6.289 5.319
496 HA TYR 60 HA TYR 60 -7.426 5.152 3.871
497 1HB TYR 60 2HB TYR 60 -4.523 4.391 3.595
498 2HB TYR 60 1HB TYR 60 -5.852 3.878 2.566
499 HD1 TYR 60 HD1 TYR 60 -7.092 5.703 1.246
500 HD2 TYR 60 HD2 TYR 60 -3.278 6.301 3.044
501 HE1 TYR 60 HE1 TYR 60 -6.688 7.608 -0.252
502 HE2 TYR 60 HE2 TYR 60 -2.871 8.212 1.551
503 HH TYR 60 HH TYR 60 -3.679 8.976 -0.711
504 H GLY 61 H GLY 61 -6.677 4.924 6.852
505 1HA GLY 61 2HA GLY 61 -5.599 2.353 7.295
506 2HA GLY 61 1HA GLY 61 -6.428 3.337 8.486
507 H LEU 62 H LEU 62 -8.887 3.428 6.837
508 HA LEU 62 HA LEU 62 -10.921 2.417 7.047
509 1HB LEU 62 2HB LEU 62 -10.172 -0.206 6.102
510 2HB LEU 62 1HB LEU 62 -11.167 1.012 5.333
511 HG LEU 62 HG LEU 62 -8.613 1.971 4.931
512 1HD1 LEU 62 1HD1 LEU 62 -7.368 0.062 3.984
513 2HD1 LEU 62 2HD1 LEU 62 -8.582 -1.032 4.653
514 3HD1 LEU 62 3HD1 LEU 62 -7.582 -0.057 5.730
515 1HD2 LEU 62 1HD2 LEU 62 -10.226 0.200 3.105
516 2HD2 LEU 62 2HD2 LEU 62 -8.956 1.324 2.618
517 3HD2 LEU 62 3HD2 LEU 62 -10.453 1.936 3.321
518 H SER 63 H SER 63 -9.578 -0.741 7.325
519 HA SER 63 HA SER 63 -9.844 -0.722 10.242
520 1HB SER 63 2HB SER 63 -10.822 -2.968 8.451
521 2HB SER 63 1HB SER 63 -10.947 -2.889 10.209
522 HG SER 63 HG SER 63 -12.040 -0.711 8.982
523 H ASP 64 H ASP 64 -8.291 -2.056 11.288
524 HA ASP 64 HA ASP 64 -5.896 -2.437 9.842
525 1HB ASP 64 2HB ASP 64 -4.934 -3.229 11.823
526 2HB ASP 64 1HB ASP 64 -6.194 -2.141 12.387
527 H GLU 65 H GLU 65 -8.549 -4.570 10.664
528 HA GLU 65 HA GLU 65 -7.474 -7.018 9.805
529 1HB GLU 65 2HB GLU 65 -9.651 -6.562 11.058
530 2HB GLU 65 1HB GLU 65 -10.351 -6.128 9.509
531 1HG GLU 65 2HG GLU 65 -9.109 -8.810 10.038
532 2HG GLU 65 1HG GLU 65 -10.804 -8.460 10.361
533 H GLU 66 H GLU 66 -9.324 -4.552 8.074
534 HA GLU 66 HA GLU 66 -9.382 -5.742 5.547
535 1HB GLU 66 2HB GLU 66 -10.793 -3.846 6.166
536 2HB GLU 66 1HB GLU 66 -9.380 -2.819 6.316
537 1HG GLU 66 2HG GLU 66 -10.348 -2.263 4.264
538 2HG GLU 66 1HG GLU 66 -8.950 -3.261 3.874
539 H PHE 67 H PHE 67 -7.100 -3.356 6.888
540 HA PHE 67 HA PHE 67 -5.602 -3.065 4.526
541 1HB PHE 67 2HB PHE 67 -5.679 -1.513 6.564
542 2HB PHE 67 1HB PHE 67 -4.516 -2.608 7.305
543 HD1 PHE 67 HD1 PHE 67 -2.237 -2.774 6.426
544 HD2 PHE 67 HD2 PHE 67 -5.061 -0.061 4.763
545 HE1 PHE 67 HE1 PHE 67 -0.413 -1.578 5.291
546 HE2 PHE 67 HE2 PHE 67 -3.240 1.137 3.621
547 HZ PHE 67 HZ PHE 67 -0.916 0.379 3.885
548 H ASN 68 H ASN 68 -5.157 -5.118 7.393
549 HA ASN 68 HA ASN 68 -2.647 -6.169 6.649
550 1HB ASN 68 2HB ASN 68 -4.818 -7.246 8.439
551 2HB ASN 68 1HB ASN 68 -3.306 -8.102 8.174
552 1HD2 ASN 68 1HD2 ASN 68 -4.377 -7.048 10.624
553 2HD2 ASN 68 2HD2 ASN 68 -3.218 -5.910 11.226
554 H SER 69 H SER 69 -5.930 -7.042 5.791
555 HA SER 69 HA SER 69 -5.392 -9.628 4.839
556 1HB SER 69 2HB SER 69 -7.555 -9.601 3.880
557 2HB SER 69 1HB SER 69 -7.682 -8.551 5.290
558 HG SER 69 HG SER 69 -7.575 -6.766 3.945
559 H TRP 70 H TRP 70 -5.079 -6.454 3.352
560 HA TRP 70 HA TRP 70 -4.737 -7.366 0.691
561 1HB TRP 70 2HB TRP 70 -3.583 -4.845 1.901
562 2HB TRP 70 1HB TRP 70 -3.900 -5.155 0.200
563 HD1 TRP 70 HD1 TRP 70 -6.915 -6.447 1.441
564 HE1 TRP 70 HE1 TRP 70 -8.774 -4.681 1.698
565 HE3 TRP 70 HE3 TRP 70 -4.041 -2.227 1.243
566 HZ2 TRP 70 HZ2 TRP 70 -8.982 -1.867 1.765
567 HZ3 TRP 70 HZ3 TRP 70 -5.146 -0.037 1.402
568 HH2 TRP 70 HH2 TRP 70 -7.566 0.140 1.657
569 H VAL 71 H VAL 71 -2.438 -6.361 3.191
570 HA VAL 71 HA VAL 71 -0.115 -6.770 1.654
571 HB VAL 71 HB VAL 71 -0.293 -6.858 4.659
572 1HG1 VAL 71 1HG1 VAL 71 1.999 -6.031 4.592
573 2HG1 VAL 71 2HG1 VAL 71 1.968 -6.080 2.829
574 3HG1 VAL 71 3HG1 VAL 71 1.851 -7.576 3.755
575 1HG2 VAL 71 1HG2 VAL 71 -1.420 -4.863 3.860
576 2HG2 VAL 71 2HG2 VAL 71 -0.028 -4.463 2.852
577 3HG2 VAL 71 3HG2 VAL 71 0.121 -4.438 4.608
578 H SER 72 H SER 72 -1.772 -8.853 4.016
579 HA SER 72 HA SER 72 0.270 -10.827 4.015
580 1HB SER 72 2HB SER 72 -1.428 -12.249 5.181
581 2HB SER 72 1HB SER 72 -1.183 -10.671 5.927
582 HG SER 72 HG SER 72 -3.109 -9.977 5.116
583 H ALA 73 H ALA 73 -2.602 -10.329 2.060
584 HA ALA 73 HA ALA 73 -2.549 -12.913 0.834
585 1HB ALA 73 1HB ALA 73 -3.785 -10.346 -0.167
586 2HB ALA 73 2HB ALA 73 -4.580 -11.537 0.863
587 3HB ALA 73 3HB ALA 73 -4.111 -11.966 -0.783
588 H LEU 74 H LEU 74 -0.955 -9.895 0.341
589 HA LEU 74 HA LEU 74 0.058 -10.534 -2.278
590 1HB LEU 74 2HB LEU 74 0.662 -8.324 -0.312
591 2HB LEU 74 1HB LEU 74 1.436 -8.457 -1.884
592 HG LEU 74 HG LEU 74 -1.534 -8.138 -1.453
593 1HD1 LEU 74 1HD1 LEU 74 -0.337 -6.148 -0.762
594 2HD1 LEU 74 2HD1 LEU 74 -1.191 -5.857 -2.278
595 3HD1 LEU 74 3HD1 LEU 74 0.553 -6.132 -2.285
596 1HD2 LEU 74 1HD2 LEU 74 -1.017 -9.312 -3.513
597 2HD2 LEU 74 2HD2 LEU 74 0.152 -8.068 -3.952
598 3HD2 LEU 74 3HD2 LEU 74 -1.564 -7.674 -3.870
599 H ALA 75 H ALA 75 1.054 -10.907 1.014
600 HA ALA 75 HA ALA 75 3.829 -11.393 0.314
601 1HB ALA 75 1HB ALA 75 4.182 -11.609 2.718
602 2HB ALA 75 2HB ALA 75 2.442 -11.514 2.989
603 3HB ALA 75 3HB ALA 75 3.312 -10.124 2.340
604 H GLU 76 H GLU 76 0.931 -13.130 1.046
605 HA GLU 76 HA GLU 76 0.369 -15.316 0.806
606 1HB GLU 76 2HB GLU 76 3.223 -15.701 -0.103
607 2HB GLU 76 1HB GLU 76 1.933 -16.884 -0.261
608 1HG GLU 76 2HG GLU 76 0.772 -15.535 -1.824
609 2HG GLU 76 1HG GLU 76 1.822 -14.154 -1.508
610 H HIS 77 H HIS 77 2.794 -14.202 2.823
611 HA HIS 77 HA HIS 77 2.418 -16.464 4.652
612 1HB HIS 77 2HB HIS 77 5.060 -15.112 4.027
613 2HB HIS 77 1HB HIS 77 4.809 -16.233 5.358
614 HD1 HIS 77 HD1 HIS 77 5.117 -18.659 4.860
615 HD2 HIS 77 HD2 HIS 77 4.793 -16.357 1.415
616 HE1 HIS 77 HE1 HIS 77 5.601 -20.226 2.950
617 HE2 HIS 77 HE2 HIS 77 5.559 -18.769 0.888
618 H GLY 78 H GLY 78 1.491 -15.678 6.429
619 1HA GLY 78 2HA GLY 78 2.306 -12.992 7.332
620 2HA GLY 78 1HA GLY 78 0.614 -13.462 7.282
621 H LYS 79 H LYS 79 3.663 -14.827 8.546
622 HA LYS 79 HA LYS 79 2.286 -15.223 11.129
623 1HB LYS 79 2HB LYS 79 4.442 -17.044 10.065
624 2HB LYS 79 1HB LYS 79 3.429 -17.291 11.475
625 1HG LYS 79 2HG LYS 79 1.492 -17.629 10.034
626 2HG LYS 79 1HG LYS 79 2.503 -17.358 8.609
627 1HD LYS 79 2HD LYS 79 2.795 -19.569 10.641
628 2HD LYS 79 1HD LYS 79 2.246 -19.736 8.971
629 1HE LYS 79 2HE LYS 79 4.363 -19.335 8.102
630 2HE LYS 79 1HE LYS 79 4.916 -18.531 9.568
631 1HZ LYS 79 1HZ LYS 79 4.444 -21.444 9.222
632 2HZ LYS 79 2HZ LYS 79 4.845 -20.704 10.691
633 3HZ LYS 79 3HZ LYS 79 5.944 -20.670 9.398
634 H ASP 80 H ASP 80 5.510 -15.546 9.753
635 HA ASP 80 HA ASP 80 6.938 -14.898 12.066
636 1HB ASP 80 2HB ASP 80 7.953 -14.512 9.251
637 2HB ASP 80 1HB ASP 80 8.876 -14.950 10.682
638 H ALA 81 H ALA 81 5.626 -12.926 9.551
639 HA ALA 81 HA ALA 81 5.268 -10.702 9.346
640 1HB ALA 81 1HB ALA 81 5.802 -9.133 11.112
641 2HB ALA 81 2HB ALA 81 6.776 -10.352 11.934
642 3HB ALA 81 3HB ALA 81 5.033 -10.569 11.787
643 H LEU 82 H LEU 82 8.425 -11.887 10.129
644 HA LEU 82 HA LEU 82 9.775 -9.769 8.676
645 1HB LEU 82 2HB LEU 82 10.811 -12.317 9.921
646 2HB LEU 82 1HB LEU 82 11.820 -11.107 9.153
647 HG LEU 82 HG LEU 82 10.135 -10.668 11.621
648 1HD1 LEU 82 1HD1 LEU 82 12.049 -12.110 12.049
649 2HD1 LEU 82 2HD1 LEU 82 12.290 -10.522 12.779
650 3HD1 LEU 82 3HD1 LEU 82 13.120 -10.941 11.279
651 1HD2 LEU 82 1HD2 LEU 82 11.291 -8.512 11.749
652 2HD2 LEU 82 2HD2 LEU 82 10.337 -8.646 10.272
653 3HD2 LEU 82 3HD2 LEU 82 12.087 -8.847 10.212
654 H LYS 83 H LYS 83 8.232 -12.665 8.003
655 HA LYS 83 HA LYS 83 9.681 -13.056 5.489
656 1HB LYS 83 2HB LYS 83 7.960 -14.793 7.191
657 2HB LYS 83 1HB LYS 83 7.929 -15.074 5.456
658 1HG LYS 83 2HG LYS 83 9.543 -16.518 6.577
659 2HG LYS 83 1HG LYS 83 10.328 -15.426 5.440
660 1HD LYS 83 2HD LYS 83 10.946 -13.952 7.312
661 2HD LYS 83 1HD LYS 83 10.201 -15.089 8.437
662 1HE LYS 83 2HE LYS 83 12.481 -15.748 6.575
663 2HE LYS 83 1HE LYS 83 12.662 -15.339 8.281
664 1HZ LYS 83 1HZ LYS 83 11.353 -17.274 8.857
665 2HZ LYS 83 2HZ LYS 83 12.683 -17.734 7.914
666 3HZ LYS 83 3HZ LYS 83 11.135 -17.663 7.218
667 H VAL 84 H VAL 84 7.428 -11.084 6.475
668 HA VAL 84 HA VAL 84 5.493 -11.455 4.345
669 HB VAL 84 HB VAL 84 5.796 -9.169 6.313
670 1HG1 VAL 84 1HG1 VAL 84 4.611 -8.478 4.311
671 2HG1 VAL 84 2HG1 VAL 84 3.495 -8.594 5.672
672 3HG1 VAL 84 3HG1 VAL 84 3.530 -9.865 4.449
673 1HG2 VAL 84 1HG2 VAL 84 3.887 -10.187 7.480
674 2HG2 VAL 84 2HG2 VAL 84 5.293 -11.252 7.457
675 3HG2 VAL 84 3HG2 VAL 84 3.942 -11.550 6.362
676 H THR 85 H THR 85 5.994 -10.854 2.361
677 HA THR 85 HA THR 85 8.289 -9.779 1.450
678 HB THR 85 HB THR 85 5.703 -9.117 0.072
679 HG1 THR 85 HG1 THR 85 5.989 -11.394 -0.745
680 1HG2 THR 85 1HG2 THR 85 8.378 -10.103 -0.935
681 2HG2 THR 85 2HG2 THR 85 7.803 -8.437 -1.008
682 3HG2 THR 85 3HG2 THR 85 6.983 -9.693 -1.932
683 H ALA 86 H ALA 86 5.304 -7.844 1.861
684 HA ALA 86 HA ALA 86 6.633 -5.423 1.121
685 1HB ALA 86 1HB ALA 86 4.504 -4.340 1.589
686 2HB ALA 86 2HB ALA 86 3.908 -5.813 2.353
687 3HB ALA 86 3HB ALA 86 4.271 -5.800 0.628
688 H LEU 87 H LEU 87 6.311 -7.102 4.078
689 HA LEU 87 HA LEU 87 6.456 -4.685 5.701
690 1HB LEU 87 2HB LEU 87 5.008 -6.740 6.240
691 2HB LEU 87 1HB LEU 87 6.501 -7.523 6.707
692 HG LEU 87 HG LEU 87 5.111 -6.551 8.583
693 1HD1 LEU 87 1HD1 LEU 87 7.027 -5.676 9.812
694 2HD1 LEU 87 2HD1 LEU 87 7.937 -5.545 8.307
695 3HD1 LEU 87 3HD1 LEU 87 7.450 -7.130 8.908
696 1HD2 LEU 87 1HD2 LEU 87 5.322 -4.143 8.988
697 2HD2 LEU 87 2HD2 LEU 87 4.433 -4.486 7.504
698 3HD2 LEU 87 3HD2 LEU 87 6.113 -3.955 7.423
699 H LYS 88 H LYS 88 8.329 -7.570 4.931
700 HA LYS 88 HA LYS 88 10.589 -7.020 6.493
701 1HB LYS 88 2HB LYS 88 10.160 -9.183 5.331
702 2HB LYS 88 1HB LYS 88 10.515 -8.395 3.798
703 1HG LYS 88 2HG LYS 88 12.782 -7.866 4.670
704 2HG LYS 88 1HG LYS 88 12.404 -8.836 6.094
705 1HD LYS 88 2HD LYS 88 12.075 -10.798 4.681
706 2HD LYS 88 1HD LYS 88 12.407 -9.829 3.243
707 1HE LYS 88 2HE LYS 88 14.312 -10.493 5.486
708 2HE LYS 88 1HE LYS 88 14.396 -11.041 3.812
709 1HZ LYS 88 1HZ LYS 88 14.654 -8.652 3.180
710 2HZ LYS 88 2HZ LYS 88 15.945 -9.284 4.075
711 3HZ LYS 88 3HZ LYS 88 14.811 -8.281 4.830
712 H LYS 89 H LYS 89 9.641 -5.996 3.251
713 HA LYS 89 HA LYS 89 12.083 -4.609 2.726
714 1HB LYS 89 2HB LYS 89 9.359 -4.389 1.439
715 2HB LYS 89 1HB LYS 89 10.801 -3.565 0.853
716 1HG LYS 89 2HG LYS 89 11.897 -5.710 0.503
717 2HG LYS 89 1HG LYS 89 10.461 -6.546 1.094
718 1HD LYS 89 2HD LYS 89 9.156 -5.615 -0.750
719 2HD LYS 89 1HD LYS 89 10.584 -4.756 -1.332
720 1HE LYS 89 2HE LYS 89 11.723 -6.905 -1.662
721 2HE LYS 89 1HE LYS 89 10.279 -7.748 -1.107
722 1HZ LYS 89 1HZ LYS 89 10.431 -7.693 -3.518
723 2HZ LYS 89 2HZ LYS 89 10.433 -5.996 -3.500
724 3HZ LYS 89 3HZ LYS 89 9.062 -6.850 -2.977
725 H TYR 90 H TYR 90 8.964 -3.709 4.075
726 HA TYR 90 HA TYR 90 9.430 -0.915 4.213
727 1HB TYR 90 2HB TYR 90 7.200 -2.052 4.388
728 2HB TYR 90 1HB TYR 90 7.659 -2.615 5.989
729 HD1 TYR 90 HD1 TYR 90 7.094 -1.341 7.842
730 HD2 TYR 90 HD2 TYR 90 7.237 0.537 4.029
731 HE1 TYR 90 HE1 TYR 90 6.156 0.705 8.824
732 HE2 TYR 90 HE2 TYR 90 6.298 2.595 5.004
733 HH TYR 90 HH TYR 90 6.057 3.090 8.384
734 H ARG 91 H ARG 91 10.708 -3.540 5.936
735 HA ARG 91 HA ARG 91 11.562 -1.881 8.187
736 1HB ARG 91 2HB ARG 91 11.806 -4.839 7.625
737 2HB ARG 91 1HB ARG 91 12.553 -4.057 9.010
738 1HG ARG 91 2HG ARG 91 9.601 -3.930 8.463
739 2HG ARG 91 1HG ARG 91 10.353 -5.197 9.436
740 1HD ARG 91 2HD ARG 91 10.637 -2.253 9.994
741 2HD ARG 91 1HD ARG 91 9.423 -3.283 10.749
742 HE ARG 91 HE ARG 91 11.314 -4.587 11.668
743 1HH1 ARG 91 1HH1 ARG 91 11.865 -1.277 10.671
744 2HH1 ARG 91 2HH1 ARG 91 13.231 -1.059 11.728
745 1HH2 ARG 91 1HH2 ARG 91 13.061 -4.307 13.071
746 2HH2 ARG 91 2HH2 ARG 91 13.908 -2.780 13.117
747 H GLN 92 H GLN 92 12.960 -3.925 5.639
748 HA GLN 92 HA GLN 92 15.656 -3.400 6.348
749 1HB GLN 92 2HB GLN 92 14.922 -5.421 5.165
750 2HB GLN 92 1HB GLN 92 14.495 -4.450 3.763
751 1HG GLN 92 2HG GLN 92 16.787 -3.895 3.369
752 2HG GLN 92 1HG GLN 92 17.279 -4.654 4.882
753 1HE2 GLN 92 1HE2 GLN 92 16.146 -5.213 1.626
754 2HE2 GLN 92 2HE2 GLN 92 16.586 -6.892 1.557
755 H LEU 93 H LEU 93 13.414 -1.851 4.148
756 HA LEU 93 HA LEU 93 15.293 -0.422 2.596
757 1HB LEU 93 2HB LEU 93 12.907 -0.778 2.007
758 2HB LEU 93 1HB LEU 93 12.453 0.339 3.276
759 HG LEU 93 HG LEU 93 13.750 2.117 2.057
760 1HD1 LEU 93 1HD1 LEU 93 15.196 0.671 0.747
761 2HD1 LEU 93 2HD1 LEU 93 14.242 1.712 -0.309
762 3HD1 LEU 93 3HD1 LEU 93 13.796 0.018 -0.105
763 1HD2 LEU 93 1HD2 LEU 93 11.333 1.999 1.912
764 2HD2 LEU 93 2HD2 LEU 93 11.448 0.813 0.612
765 3HD2 LEU 93 3HD2 LEU 93 12.015 2.464 0.353
766 H LEU 94 H LEU 94 14.046 0.081 5.780
767 HA LEU 94 HA LEU 94 14.664 2.916 5.768
768 1HB LEU 94 2HB LEU 94 13.265 1.081 7.664
769 2HB LEU 94 1HB LEU 94 13.886 2.609 8.255
770 HG LEU 94 HG LEU 94 12.504 3.787 6.560
771 1HD1 LEU 94 1HD1 LEU 94 12.321 2.004 4.912
772 2HD1 LEU 94 2HD1 LEU 94 10.730 2.576 5.410
773 3HD1 LEU 94 3HD1 LEU 94 11.354 1.050 6.040
774 1HD2 LEU 94 1HD2 LEU 94 11.715 3.465 8.857
775 2HD2 LEU 94 2HD2 LEU 94 10.953 1.947 8.376
776 3HD2 LEU 94 3HD2 LEU 94 10.387 3.475 7.698
777 H GLU 95 H GLU 95 16.652 0.460 5.901
778 HA GLU 95 HA GLU 95 18.173 0.914 8.240
779 1HB GLU 95 2HB GLU 95 18.522 -1.073 6.833
780 2HB GLU 95 1HB GLU 95 19.088 -0.052 5.518
781 1HG GLU 95 2HG GLU 95 20.998 0.638 6.842
782 2HG GLU 95 1HG GLU 95 20.423 -0.321 8.203
783 H HIS 96 H HIS 96 18.801 2.911 8.767
784 HA HIS 96 HA HIS 96 19.246 4.945 6.812
785 1HB HIS 96 2HB HIS 96 19.735 4.922 9.797
786 2HB HIS 96 1HB HIS 96 19.889 6.348 8.776
787 HD1 HIS 96 HD1 HIS 96 17.753 5.683 11.185
788 HD2 HIS 96 HD2 HIS 96 17.061 5.893 7.089
789 HE1 HIS 96 HE1 HIS 96 15.307 6.204 10.934
790 HE2 HIS 96 HE2 HIS 96 14.945 6.476 8.452
791 H HIS 97 H HIS 97 21.241 2.696 8.533
792 HA HIS 97 HA HIS 97 23.689 4.066 7.734
793 1HB HIS 97 2HB HIS 97 23.219 1.515 9.290
794 2HB HIS 97 1HB HIS 97 24.816 2.120 8.869
795 HD1 HIS 97 HD1 HIS 97 25.864 3.634 10.515
796 HD2 HIS 97 HD2 HIS 97 21.733 3.442 10.968
797 HE1 HIS 97 HE1 HIS 97 25.339 4.982 12.580
798 HE2 HIS 97 HE2 HIS 97 22.821 4.986 12.733
799 H HIS 98 H HIS 98 23.099 3.861 5.439
800 HA HIS 98 HA HIS 98 23.071 1.221 4.287
801 1HB HIS 98 2HB HIS 98 22.797 3.986 3.190
802 2HB HIS 98 1HB HIS 98 23.192 2.668 2.093
803 HD1 HIS 98 HD1 HIS 98 21.406 0.450 2.821
804 HD2 HIS 98 HD2 HIS 98 20.135 4.411 3.028
805 HE1 HIS 98 HE1 HIS 98 18.894 0.366 2.671
806 HE2 HIS 98 HE2 HIS 98 18.149 2.746 3.016
807 H HIS 99 H HIS 99 25.542 3.165 5.366
808 HA HIS 99 HA HIS 99 27.498 2.598 3.378
809 1HB HIS 99 2HB HIS 99 27.694 4.292 5.285
810 2HB HIS 99 1HB HIS 99 28.045 2.925 6.334
811 HD1 HIS 99 HD1 HIS 99 30.428 2.069 6.350
812 HD2 HIS 99 HD2 HIS 99 29.689 4.753 3.255
813 HE1 HIS 99 HE1 HIS 99 32.668 2.567 5.332
814 HE2 HIS 99 HE2 HIS 99 32.225 4.329 3.587
815 H HIS 100 H HIS 100 26.384 1.015 6.296
816 HA HIS 100 HA HIS 100 26.543 -1.082 7.124
817 1HB HIS 100 2HB HIS 100 25.285 -1.214 4.834
818 2HB HIS 100 1HB HIS 100 26.710 -2.105 4.317
819 HD1 HIS 100 HD1 HIS 100 25.812 -4.429 4.168
820 HD2 HIS 100 HD2 HIS 100 24.833 -2.584 7.766
821 HE1 HIS 100 HE1 HIS 100 24.753 -6.221 5.589
822 HE2 HIS 100 HE2 HIS 100 24.258 -5.109 7.796
823 H HIS 101 H HIS 101 28.287 -2.222 4.327
824 HA HIS 101 HA HIS 101 30.869 -1.769 5.430
825 1HB HIS 101 2HB HIS 101 31.504 -4.225 5.508
826 2HB HIS 101 1HB HIS 101 30.532 -3.622 6.838
827 HD1 HIS 101 HD1 HIS 101 29.866 -5.410 3.524
828 HD2 HIS 101 HD2 HIS 101 28.538 -5.294 7.457
829 HE1 HIS 101 HE1 HIS 101 28.152 -7.238 3.711
830 HE2 HIS 101 HE2 HIS 101 27.566 -7.309 6.165
Start of MODEL 11
1 1H MET 1 1H MET 1 8.903 23.715 -27.695
2 2H MET 1 2H MET 1 10.263 22.849 -28.223
3 3H MET 1 3H MET 1 9.692 22.654 -26.639
4 HA MET 1 HA MET 1 8.205 21.917 -29.088
5 1HB MET 1 2HB MET 1 8.698 19.631 -28.597
6 2HB MET 1 1HB MET 1 10.228 20.494 -28.574
7 1HG MET 1 2HG MET 1 8.636 19.723 -26.134
8 2HG MET 1 1HG MET 1 10.026 18.846 -26.764
9 1HE MET 1 1HE MET 1 12.979 21.274 -26.119
10 2HE MET 1 2HE MET 1 12.072 21.023 -27.611
11 3HE MET 1 3HE MET 1 12.499 19.644 -26.597
12 H MET 2 H MET 2 6.405 20.339 -28.435
13 HA MET 2 HA MET 2 4.999 21.468 -26.146
14 1HB MET 2 2HB MET 2 3.060 20.260 -26.911
15 2HB MET 2 1HB MET 2 3.799 21.040 -28.302
16 1HG MET 2 2HG MET 2 4.734 18.974 -29.049
17 2HG MET 2 1HG MET 2 4.249 18.160 -27.564
18 1HE MET 2 1HE MET 2 3.198 16.230 -29.117
19 2HE MET 2 2HE MET 2 3.641 17.129 -30.568
20 3HE MET 2 3HE MET 2 1.991 16.540 -30.366
21 H PHE 3 H PHE 3 4.115 20.113 -24.458
22 HA PHE 3 HA PHE 3 5.906 18.039 -23.626
23 1HB PHE 3 2HB PHE 3 3.244 18.917 -22.480
24 2HB PHE 3 1HB PHE 3 4.339 17.773 -21.712
25 HD1 PHE 3 HD1 PHE 3 6.514 18.528 -20.854
26 HD2 PHE 3 HD2 PHE 3 3.641 21.257 -22.403
27 HE1 PHE 3 HE1 PHE 3 7.694 20.385 -19.761
28 HE2 PHE 3 HE2 PHE 3 4.819 23.121 -21.314
29 HZ PHE 3 HZ PHE 3 6.848 22.686 -19.989
30 H LEU 4 H LEU 4 5.722 15.907 -23.891
31 HA LEU 4 HA LEU 4 4.000 14.929 -25.909
32 1HB LEU 4 2HB LEU 4 5.890 13.559 -24.010
33 2HB LEU 4 1HB LEU 4 4.926 12.663 -25.166
34 HG LEU 4 HG LEU 4 6.009 14.083 -26.977
35 1HD1 LEU 4 1HD1 LEU 4 8.169 15.086 -26.440
36 2HD1 LEU 4 2HD1 LEU 4 7.906 14.741 -24.730
37 3HD1 LEU 4 3HD1 LEU 4 6.854 15.877 -25.570
38 1HD2 LEU 4 1HD2 LEU 4 7.753 12.249 -25.343
39 2HD2 LEU 4 2HD2 LEU 4 8.027 12.712 -27.022
40 3HD2 LEU 4 3HD2 LEU 4 6.605 11.760 -26.591
41 H ARG 5 H ARG 5 2.878 12.687 -25.437
42 HA ARG 5 HA ARG 5 0.696 13.440 -23.691
43 1HB ARG 5 2HB ARG 5 1.050 11.267 -25.749
44 2HB ARG 5 1HB ARG 5 -0.391 11.393 -24.745
45 1HG ARG 5 2HG ARG 5 -0.908 13.551 -25.629
46 2HG ARG 5 1HG ARG 5 0.630 13.623 -26.484
47 1HD ARG 5 2HD ARG 5 -0.046 11.869 -27.971
48 2HD ARG 5 1HD ARG 5 -1.517 11.584 -27.034
49 HE ARG 5 HE ARG 5 -2.385 13.657 -27.814
50 1HH1 ARG 5 1HH1 ARG 5 0.599 12.688 -29.393
51 2HH1 ARG 5 2HH1 ARG 5 0.427 13.828 -30.695
52 1HH2 ARG 5 1HH2 ARG 5 -2.595 15.169 -29.514
53 2HH2 ARG 5 2HH2 ARG 5 -1.396 15.209 -30.780
54 H LYS 6 H LYS 6 2.635 13.075 -22.099
55 HA LYS 6 HA LYS 6 2.100 10.516 -20.737
56 1HB LYS 6 2HB LYS 6 4.422 10.732 -21.763
57 2HB LYS 6 1HB LYS 6 4.703 12.064 -20.655
58 1HG LYS 6 2HG LYS 6 5.711 10.083 -19.773
59 2HG LYS 6 1HG LYS 6 4.327 10.504 -18.765
60 1HD LYS 6 2HD LYS 6 2.998 8.782 -19.722
61 2HD LYS 6 1HD LYS 6 4.177 8.495 -21.004
62 1HE LYS 6 2HE LYS 6 4.639 8.018 -18.064
63 2HE LYS 6 1HE LYS 6 4.258 6.772 -19.253
64 1HZ LYS 6 1HZ LYS 6 6.612 6.820 -18.887
65 2HZ LYS 6 2HZ LYS 6 6.683 8.486 -19.198
66 3HZ LYS 6 3HZ LYS 6 6.301 7.411 -20.447
67 H VAL 7 H VAL 7 1.226 13.490 -20.777
68 HA VAL 7 HA VAL 7 2.100 14.472 -18.199
69 HB VAL 7 HB VAL 7 1.946 15.923 -20.242
70 1HG1 VAL 7 1HG1 VAL 7 -0.105 15.101 -21.193
71 2HG1 VAL 7 2HG1 VAL 7 -0.261 16.827 -20.860
72 3HG1 VAL 7 3HG1 VAL 7 -1.020 15.647 -19.790
73 1HG2 VAL 7 1HG2 VAL 7 0.334 16.823 -17.856
74 2HG2 VAL 7 2HG2 VAL 7 1.045 17.877 -19.079
75 3HG2 VAL 7 3HG2 VAL 7 2.086 16.915 -18.032
76 H GLU 8 H GLU 8 0.255 12.140 -18.557
77 HA GLU 8 HA GLU 8 -2.310 12.754 -17.576
78 1HB GLU 8 2HB GLU 8 -0.789 10.237 -16.899
79 2HB GLU 8 1HB GLU 8 -2.525 10.436 -17.082
80 1HG GLU 8 2HG GLU 8 -0.468 10.533 -19.276
81 2HG GLU 8 1HG GLU 8 -1.613 9.232 -18.960
82 H GLY 9 H GLY 9 0.791 12.381 -16.110
83 1HA GLY 9 2HA GLY 9 0.447 13.895 -13.880
84 2HA GLY 9 1HA GLY 9 -0.101 12.296 -13.384
85 HA PRO 10 HA PRO 10 4.490 11.870 -15.091
86 1HB PRO 10 2HB PRO 10 5.472 14.559 -14.331
87 2HB PRO 10 1HB PRO 10 5.854 13.564 -15.738
88 1HG PRO 10 2HG PRO 10 4.245 15.672 -15.978
89 2HG PRO 10 1HG PRO 10 3.912 14.171 -16.863
90 1HD PRO 10 2HD PRO 10 2.619 15.239 -14.382
91 2HD PRO 10 1HD PRO 10 1.882 14.406 -15.768
92 H ARG 11 H ARG 11 3.543 13.527 -12.168
93 HA ARG 11 HA ARG 11 5.845 12.612 -10.694
94 1HB ARG 11 2HB ARG 11 4.391 14.663 -10.121
95 2HB ARG 11 1HB ARG 11 3.237 13.505 -9.467
96 1HG ARG 11 2HG ARG 11 4.673 14.423 -7.722
97 2HG ARG 11 1HG ARG 11 4.921 12.686 -7.911
98 1HD ARG 11 2HD ARG 11 6.891 13.160 -9.327
99 2HD ARG 11 1HD ARG 11 6.667 14.880 -9.018
100 HE ARG 11 HE ARG 11 6.999 14.245 -6.590
101 1HH1 ARG 11 1HH1 ARG 11 8.407 12.417 -9.228
102 2HH1 ARG 11 2HH1 ARG 11 9.766 11.863 -8.285
103 1HH2 ARG 11 1HH2 ARG 11 8.793 13.561 -5.365
104 2HH2 ARG 11 2HH2 ARG 11 9.996 12.540 -6.096
105 H SER 12 H SER 12 5.390 10.457 -11.754
106 HA SER 12 HA SER 12 3.441 8.871 -10.220
107 1HB SER 12 2HB SER 12 4.467 8.647 -13.042
108 2HB SER 12 1HB SER 12 3.681 7.285 -12.239
109 HG SER 12 HG SER 12 2.576 9.866 -12.714
110 H VAL 13 H VAL 13 4.001 6.811 -9.516
111 HA VAL 13 HA VAL 13 6.881 6.257 -9.340
112 HB VAL 13 HB VAL 13 6.189 4.541 -7.626
113 1HG1 VAL 13 1HG1 VAL 13 5.418 7.396 -7.047
114 2HG1 VAL 13 2HG1 VAL 13 7.046 6.724 -6.968
115 3HG1 VAL 13 3HG1 VAL 13 5.807 6.165 -5.844
116 1HG2 VAL 13 1HG2 VAL 13 3.879 4.214 -8.282
117 2HG2 VAL 13 2HG2 VAL 13 3.505 5.899 -7.914
118 3HG2 VAL 13 3HG2 VAL 13 3.950 4.787 -6.615
119 H THR 14 H THR 14 7.742 4.423 -10.219
120 HA THR 14 HA THR 14 5.950 2.863 -11.936
121 HB THR 14 HB THR 14 8.975 3.013 -12.007
122 HG1 THR 14 HG1 THR 14 7.230 4.817 -12.776
123 1HG2 THR 14 1HG2 THR 14 8.747 1.957 -14.204
124 2HG2 THR 14 2HG2 THR 14 7.000 1.866 -13.988
125 3HG2 THR 14 3HG2 THR 14 8.066 0.930 -12.942
126 H LEU 15 H LEU 15 5.316 0.981 -11.199
127 HA LEU 15 HA LEU 15 6.638 -0.329 -8.994
128 1HB LEU 15 2HB LEU 15 4.336 -1.291 -10.706
129 2HB LEU 15 1HB LEU 15 4.824 -1.946 -9.154
130 HG LEU 15 HG LEU 15 3.737 0.839 -9.584
131 1HD1 LEU 15 1HD1 LEU 15 2.059 -0.895 -9.989
132 2HD1 LEU 15 2HD1 LEU 15 1.720 0.012 -8.516
133 3HD1 LEU 15 3HD1 LEU 15 2.418 -1.604 -8.413
134 1HD2 LEU 15 1HD2 LEU 15 4.374 -0.699 -7.068
135 2HD2 LEU 15 2HD2 LEU 15 3.566 0.867 -7.134
136 3HD2 LEU 15 3HD2 LEU 15 5.236 0.714 -7.678
137 HA PRO 16 HA PRO 16 9.369 -2.901 -11.328
138 1HB PRO 16 2HB PRO 16 9.386 -5.136 -9.733
139 2HB PRO 16 1HB PRO 16 10.294 -3.663 -9.379
140 1HG PRO 16 2HG PRO 16 7.655 -4.570 -8.302
141 2HG PRO 16 1HG PRO 16 9.013 -3.813 -7.447
142 1HD PRO 16 2HD PRO 16 6.832 -2.414 -8.154
143 2HD PRO 16 1HD PRO 16 8.451 -1.689 -8.183
144 H ASP 17 H ASP 17 6.127 -3.660 -10.824
145 HA ASP 17 HA ASP 17 6.043 -6.165 -12.225
146 1HB ASP 17 2HB ASP 17 3.795 -4.223 -11.636
147 2HB ASP 17 1HB ASP 17 3.624 -5.912 -12.099
148 H GLY 18 H GLY 18 6.193 -2.860 -13.089
149 1HA GLY 18 2HA GLY 18 6.495 -2.100 -15.319
150 2HA GLY 18 1HA GLY 18 5.662 -3.537 -15.895
151 H SER 19 H SER 19 4.879 -0.952 -13.599
152 HA SER 19 HA SER 19 2.694 -0.013 -15.224
153 1HB SER 19 2HB SER 19 1.807 -2.058 -13.993
154 2HB SER 19 1HB SER 19 2.060 -1.167 -12.495
155 HG SER 19 HG SER 19 0.686 0.358 -14.247
156 H ILE 20 H ILE 20 1.952 2.034 -14.527
157 HA ILE 20 HA ILE 20 3.643 3.231 -12.434
158 HB ILE 20 HB ILE 20 3.254 5.410 -13.558
159 1HG1 ILE 20 2HG1 ILE 20 2.076 3.709 -15.766
160 2HG1 ILE 20 1HG1 ILE 20 1.167 4.804 -14.730
161 1HG2 ILE 20 1HG2 ILE 20 4.532 3.280 -15.267
162 2HG2 ILE 20 2HG2 ILE 20 5.303 4.165 -13.950
163 3HG2 ILE 20 3HG2 ILE 20 4.805 5.016 -15.413
164 1HD1 ILE 20 1HD1 ILE 20 2.391 6.699 -15.639
165 2HD1 ILE 20 2HD1 ILE 20 1.603 5.779 -16.922
166 3HD1 ILE 20 3HD1 ILE 20 3.339 5.613 -16.655
167 H MET 21 H MET 21 2.747 4.491 -10.881
168 HA MET 21 HA MET 21 -0.157 4.927 -10.926
169 1HB MET 21 2HB MET 21 1.451 3.718 -8.676
170 2HB MET 21 1HB MET 21 -0.118 4.464 -8.416
171 1HG MET 21 2HG MET 21 -1.133 2.845 -9.943
172 2HG MET 21 1HG MET 21 0.442 2.090 -10.179
173 1HE MET 21 1HE MET 21 -2.355 2.952 -7.541
174 2HE MET 21 2HE MET 21 -0.884 3.607 -6.822
175 3HE MET 21 3HE MET 21 -1.683 2.218 -6.085
176 H THR 22 H THR 22 -0.807 6.853 -10.051
177 HA THR 22 HA THR 22 1.136 8.402 -8.520
178 HB THR 22 HB THR 22 1.424 9.172 -10.813
179 HG1 THR 22 HG1 THR 22 1.738 10.923 -9.646
180 1HG2 THR 22 1HG2 THR 22 -0.391 10.274 -12.028
181 2HG2 THR 22 2HG2 THR 22 -1.516 9.840 -10.744
182 3HG2 THR 22 3HG2 THR 22 -0.757 8.579 -11.713
183 H ARG 23 H ARG 23 -0.188 10.644 -8.043
184 HA ARG 23 HA ARG 23 -2.036 9.865 -6.069
185 1HB ARG 23 2HB ARG 23 -2.424 12.357 -5.861
186 2HB ARG 23 1HB ARG 23 -0.759 11.815 -5.689
187 1HG ARG 23 2HG ARG 23 -0.392 12.420 -8.078
188 2HG ARG 23 1HG ARG 23 -2.010 13.118 -8.096
189 1HD ARG 23 2HD ARG 23 -1.402 14.718 -6.417
190 2HD ARG 23 1HD ARG 23 0.167 13.943 -6.186
191 HE ARG 23 HE ARG 23 -0.215 14.782 -8.889
192 1HH1 ARG 23 1HH1 ARG 23 0.593 15.968 -5.694
193 2HH1 ARG 23 2HH1 ARG 23 1.569 17.280 -6.291
194 1HH2 ARG 23 1HH2 ARG 23 1.029 16.517 -9.677
195 2HH2 ARG 23 2HH2 ARG 23 1.789 17.614 -8.559
196 H ALA 24 H ALA 24 -2.568 10.125 -9.344
197 HA ALA 24 HA ALA 24 -5.359 10.940 -9.094
198 1HB ALA 24 1HB ALA 24 -4.040 11.838 -10.958
199 2HB ALA 24 2HB ALA 24 -5.403 10.875 -11.530
200 3HB ALA 24 3HB ALA 24 -3.775 10.199 -11.554
201 H ASP 25 H ASP 25 -3.499 8.133 -8.990
202 HA ASP 25 HA ASP 25 -5.638 6.417 -10.042
203 1HB ASP 25 2HB ASP 25 -2.831 5.692 -9.177
204 2HB ASP 25 1HB ASP 25 -3.986 4.610 -9.948
205 H LEU 26 H LEU 26 -4.921 7.807 -7.226
206 HA LEU 26 HA LEU 26 -5.089 5.521 -5.475
207 1HB LEU 26 2HB LEU 26 -5.135 8.472 -4.841
208 2HB LEU 26 1HB LEU 26 -4.991 7.181 -3.665
209 HG LEU 26 HG LEU 26 -2.968 7.820 -5.811
210 1HD1 LEU 26 1HD1 LEU 26 -1.569 8.572 -3.950
211 2HD1 LEU 26 2HD1 LEU 26 -2.907 8.294 -2.834
212 3HD1 LEU 26 3HD1 LEU 26 -3.043 9.532 -4.083
213 1HD2 LEU 26 1HD2 LEU 26 -2.996 5.450 -5.262
214 2HD2 LEU 26 2HD2 LEU 26 -2.884 5.832 -3.545
215 3HD2 LEU 26 3HD2 LEU 26 -1.544 6.220 -4.624
216 HA PRO 27 HA PRO 27 -9.550 5.330 -4.928
217 1HB PRO 27 2HB PRO 27 -8.604 4.761 -2.144
218 2HB PRO 27 1HB PRO 27 -9.810 3.908 -3.120
219 1HG PRO 27 2HG PRO 27 -7.410 2.855 -2.831
220 2HG PRO 27 1HG PRO 27 -8.188 2.845 -4.418
221 1HD PRO 27 2HD PRO 27 -5.997 4.612 -3.401
222 2HD PRO 27 1HD PRO 27 -6.210 3.892 -5.010
223 HA PRO 28 HA PRO 28 -9.828 9.581 -3.455
224 1HB PRO 28 2HB PRO 28 -12.657 9.204 -4.202
225 2HB PRO 28 1HB PRO 28 -11.498 10.410 -4.761
226 1HG PRO 28 2HG PRO 28 -12.283 8.416 -6.354
227 2HG PRO 28 1HG PRO 28 -10.606 8.997 -6.372
228 1HD PRO 28 2HD PRO 28 -11.755 6.568 -5.037
229 2HD PRO 28 1HD PRO 28 -10.247 6.735 -5.962
230 H ALA 29 H ALA 29 -9.566 8.407 -1.298
231 HA ALA 29 HA ALA 29 -10.118 8.370 0.896
232 1HB ALA 29 1HB ALA 29 -11.916 9.778 1.714
233 2HB ALA 29 2HB ALA 29 -12.538 9.965 0.074
234 3HB ALA 29 3HB ALA 29 -10.961 10.634 0.502
235 H ASN 30 H ASN 30 -13.357 8.227 -0.572
236 HA ASN 30 HA ASN 30 -13.890 5.825 1.028
237 1HB ASN 30 2HB ASN 30 -15.725 7.770 -0.379
238 2HB ASN 30 1HB ASN 30 -16.295 6.258 0.316
239 1HD2 ASN 30 1HD2 ASN 30 -16.928 9.045 0.995
240 2HD2 ASN 30 2HD2 ASN 30 -16.551 9.209 2.678
241 H THR 31 H THR 31 -13.525 6.943 -2.238
242 HA THR 31 HA THR 31 -13.527 5.897 -4.260
243 HB THR 31 HB THR 31 -13.524 3.231 -2.843
244 HG1 THR 31 HG1 THR 31 -11.994 4.406 -1.726
245 1HG2 THR 31 1HG2 THR 31 -11.982 2.630 -4.658
246 2HG2 THR 31 2HG2 THR 31 -12.092 4.270 -5.296
247 3HG2 THR 31 3HG2 THR 31 -13.513 3.226 -5.298
248 H ARG 32 H ARG 32 -14.789 3.620 -5.225
249 HA ARG 32 HA ARG 32 -17.575 3.880 -4.310
250 1HB ARG 32 2HB ARG 32 -16.556 3.324 -7.104
251 2HB ARG 32 1HB ARG 32 -18.247 3.235 -6.628
252 1HG ARG 32 2HG ARG 32 -16.495 5.682 -6.622
253 2HG ARG 32 1HG ARG 32 -17.831 5.333 -7.719
254 1HD ARG 32 2HD ARG 32 -19.406 5.422 -5.879
255 2HD ARG 32 1HD ARG 32 -18.089 5.663 -4.732
256 HE ARG 32 HE ARG 32 -18.984 7.614 -6.747
257 1HH1 ARG 32 1HH1 ARG 32 -17.240 6.835 -3.808
258 2HH1 ARG 32 2HH1 ARG 32 -16.955 8.497 -3.383
259 1HH2 ARG 32 1HH2 ARG 32 -18.632 9.790 -6.196
260 2HH2 ARG 32 2HH2 ARG 32 -17.759 10.189 -4.741
261 H ARG 33 H ARG 33 -15.562 1.655 -6.220
262 HA ARG 33 HA ARG 33 -16.441 -0.511 -4.441
263 1HB ARG 33 2HB ARG 33 -16.044 -0.539 -7.429
264 2HB ARG 33 1HB ARG 33 -16.051 -2.015 -6.473
265 1HG ARG 33 2HG ARG 33 -18.306 -1.594 -5.749
266 2HG ARG 33 1HG ARG 33 -18.308 -0.027 -6.561
267 1HD ARG 33 2HD ARG 33 -18.245 -1.034 -8.700
268 2HD ARG 33 1HD ARG 33 -17.853 -2.615 -8.024
269 HE ARG 33 HE ARG 33 -20.124 -2.622 -7.071
270 1HH1 ARG 33 1HH1 ARG 33 -19.435 -0.493 -9.762
271 2HH1 ARG 33 2HH1 ARG 33 -21.086 -0.423 -10.297
272 1HH2 ARG 33 1HH2 ARG 33 -22.291 -2.551 -7.775
273 2HH2 ARG 33 2HH2 ARG 33 -22.707 -1.604 -9.169
274 H TRP 34 H TRP 34 -14.888 -1.652 -3.507
275 HA TRP 34 HA TRP 34 -12.119 -0.914 -4.069
276 1HB TRP 34 2HB TRP 34 -13.414 -2.440 -1.803
277 2HB TRP 34 1HB TRP 34 -11.673 -2.247 -1.965
278 HD1 TRP 34 HD1 TRP 34 -14.812 -0.339 -0.960
279 HE1 TRP 34 HE1 TRP 34 -14.107 1.894 0.113
280 HE3 TRP 34 HE3 TRP 34 -9.824 -0.467 -2.041
281 HZ2 TRP 34 HZ2 TRP 34 -11.738 3.399 0.456
282 HZ3 TRP 34 HZ3 TRP 34 -8.412 1.409 -1.310
283 HH2 TRP 34 HH2 TRP 34 -9.348 3.300 -0.087
284 H VAL 35 H VAL 35 -11.997 -2.063 -6.070
285 HA VAL 35 HA VAL 35 -12.282 -4.902 -6.147
286 HB VAL 35 HB VAL 35 -11.107 -4.777 -8.323
287 1HG1 VAL 35 1HG1 VAL 35 -13.522 -4.427 -8.212
288 2HG1 VAL 35 2HG1 VAL 35 -12.794 -3.468 -9.501
289 3HG1 VAL 35 3HG1 VAL 35 -13.264 -2.697 -7.985
290 1HG2 VAL 35 1HG2 VAL 35 -10.487 -2.606 -9.262
291 2HG2 VAL 35 2HG2 VAL 35 -9.547 -2.972 -7.815
292 3HG2 VAL 35 3HG2 VAL 35 -10.887 -1.828 -7.730
293 H ALA 36 H ALA 36 -10.477 -6.404 -6.536
294 HA ALA 36 HA ALA 36 -8.739 -6.418 -4.377
295 1HB ALA 36 1HB ALA 36 -9.386 -8.419 -5.639
296 2HB ALA 36 2HB ALA 36 -7.637 -8.302 -5.434
297 3HB ALA 36 3HB ALA 36 -8.375 -7.890 -6.983
298 H SER 37 H SER 37 -8.078 -5.507 -7.737
299 HA SER 37 HA SER 37 -5.327 -5.035 -7.442
300 1HB SER 37 2HB SER 37 -6.489 -5.270 -9.622
301 2HB SER 37 1HB SER 37 -7.251 -3.701 -9.366
302 HG SER 37 HG SER 37 -5.451 -3.373 -10.624
303 H ARG 38 H ARG 38 -8.112 -3.016 -6.736
304 HA ARG 38 HA ARG 38 -6.543 -0.608 -6.460
305 1HB ARG 38 2HB ARG 38 -8.821 -0.395 -7.238
306 2HB ARG 38 1HB ARG 38 -9.431 -1.194 -5.797
307 1HG ARG 38 2HG ARG 38 -9.154 0.648 -4.483
308 2HG ARG 38 1HG ARG 38 -7.823 1.278 -5.456
309 1HD ARG 38 2HD ARG 38 -10.638 1.149 -6.499
310 2HD ARG 38 1HD ARG 38 -10.056 2.521 -5.554
311 HE ARG 38 HE ARG 38 -8.340 1.892 -7.764
312 1HH1 ARG 38 1HH1 ARG 38 -11.279 3.557 -6.863
313 2HH1 ARG 38 2HH1 ARG 38 -11.185 4.716 -8.156
314 1HH2 ARG 38 1HH2 ARG 38 -8.188 3.413 -9.463
315 2HH2 ARG 38 2HH2 ARG 38 -9.423 4.627 -9.635
316 H LYS 39 H LYS 39 -7.844 -3.075 -4.330
317 HA LYS 39 HA LYS 39 -7.225 -1.839 -1.860
318 1HB LYS 39 2HB LYS 39 -7.150 -4.792 -2.547
319 2HB LYS 39 1HB LYS 39 -7.290 -4.107 -0.935
320 1HG LYS 39 2HG LYS 39 -9.484 -3.393 -1.297
321 2HG LYS 39 1HG LYS 39 -9.339 -3.549 -3.049
322 1HD LYS 39 2HD LYS 39 -10.641 -5.392 -2.364
323 2HD LYS 39 1HD LYS 39 -9.027 -6.038 -2.657
324 1HE LYS 39 2HE LYS 39 -9.630 -7.027 -0.644
325 2HE LYS 39 1HE LYS 39 -8.654 -5.650 -0.136
326 1HZ LYS 39 1HZ LYS 39 -11.622 -5.735 -0.212
327 2HZ LYS 39 2HZ LYS 39 -10.690 -4.408 0.285
328 3HZ LYS 39 3HZ LYS 39 -10.666 -5.849 1.185
329 H ILE 40 H ILE 40 -5.425 -4.137 -3.873
330 HA ILE 40 HA ILE 40 -3.001 -4.075 -2.470
331 HB ILE 40 HB ILE 40 -3.441 -4.537 -5.432
332 1HG1 ILE 40 2HG1 ILE 40 -3.258 -6.546 -3.176
333 2HG1 ILE 40 1HG1 ILE 40 -4.765 -6.020 -3.920
334 1HG2 ILE 40 1HG2 ILE 40 -1.105 -4.094 -4.921
335 2HG2 ILE 40 2HG2 ILE 40 -1.334 -5.794 -5.330
336 3HG2 ILE 40 3HG2 ILE 40 -1.133 -5.311 -3.645
337 1HD1 ILE 40 1HD1 ILE 40 -4.050 -8.167 -4.798
338 2HD1 ILE 40 2HD1 ILE 40 -2.515 -7.463 -5.304
339 3HD1 ILE 40 3HD1 ILE 40 -4.018 -6.935 -6.060
340 H ALA 41 H ALA 41 -4.359 -1.963 -4.911
341 HA ALA 41 HA ALA 41 -2.042 -0.502 -5.532
342 1HB ALA 41 1HB ALA 41 -4.078 -0.438 -6.900
343 2HB ALA 41 2HB ALA 41 -3.532 1.178 -6.448
344 3HB ALA 41 3HB ALA 41 -4.902 0.444 -5.614
345 H VAL 42 H VAL 42 -4.311 -0.276 -2.861
346 HA VAL 42 HA VAL 42 -3.437 2.281 -1.971
347 HB VAL 42 HB VAL 42 -4.582 0.145 -0.167
348 1HG1 VAL 42 1HG1 VAL 42 -5.390 2.044 1.120
349 2HG1 VAL 42 2HG1 VAL 42 -4.707 3.158 -0.065
350 3HG1 VAL 42 3HG1 VAL 42 -3.641 2.141 0.908
351 1HG2 VAL 42 1HG2 VAL 42 -6.043 0.371 -2.111
352 2HG2 VAL 42 2HG2 VAL 42 -6.092 2.118 -1.875
353 3HG2 VAL 42 3HG2 VAL 42 -6.794 1.046 -0.664
354 H VAL 43 H VAL 43 -2.643 -1.053 -0.918
355 HA VAL 43 HA VAL 43 -0.640 -0.223 0.902
356 HB VAL 43 HB VAL 43 0.287 -2.672 0.305
357 1HG1 VAL 43 1HG1 VAL 43 -2.129 -2.008 1.975
358 2HG1 VAL 43 2HG1 VAL 43 -0.442 -1.977 2.486
359 3HG1 VAL 43 3HG1 VAL 43 -1.216 -3.511 2.085
360 1HG2 VAL 43 1HG2 VAL 43 -1.639 -4.157 -0.154
361 2HG2 VAL 43 2HG2 VAL 43 -1.253 -3.104 -1.517
362 3HG2 VAL 43 3HG2 VAL 43 -2.628 -2.734 -0.478
363 H ARG 44 H ARG 44 -0.479 -1.021 -2.544
364 HA ARG 44 HA ARG 44 2.338 -0.821 -2.777
365 1HB ARG 44 2HB ARG 44 0.121 -0.413 -4.784
366 2HB ARG 44 1HB ARG 44 1.817 -0.292 -5.215
367 1HG ARG 44 2HG ARG 44 2.139 -2.624 -4.485
368 2HG ARG 44 1HG ARG 44 0.406 -2.731 -4.158
369 1HD ARG 44 2HD ARG 44 -0.095 -2.273 -6.484
370 2HD ARG 44 1HD ARG 44 1.615 -2.046 -6.835
371 HE ARG 44 HE ARG 44 0.314 -4.613 -6.204
372 1HH1 ARG 44 1HH1 ARG 44 3.048 -2.802 -7.399
373 2HH1 ARG 44 2HH1 ARG 44 3.795 -4.167 -8.177
374 1HH2 ARG 44 1HH2 ARG 44 1.274 -6.432 -7.228
375 2HH2 ARG 44 2HH2 ARG 44 2.783 -6.232 -8.082
376 H GLY 45 H GLY 45 -0.272 1.536 -3.188
377 1HA GLY 45 2HA GLY 45 1.323 3.643 -4.162
378 2HA GLY 45 1HA GLY 45 -0.280 3.805 -3.469
379 H VAL 46 H VAL 46 0.401 2.793 -0.843
380 HA VAL 46 HA VAL 46 1.555 5.242 0.150
381 HB VAL 46 HB VAL 46 1.098 4.334 2.422
382 1HG1 VAL 46 1HG1 VAL 46 -0.535 5.711 1.266
383 2HG1 VAL 46 2HG1 VAL 46 -1.338 4.483 2.245
384 3HG1 VAL 46 3HG1 VAL 46 -1.221 4.279 0.498
385 1HG2 VAL 46 1HG2 VAL 46 -0.295 2.324 2.652
386 2HG2 VAL 46 2HG2 VAL 46 1.295 1.948 1.987
387 3HG2 VAL 46 3HG2 VAL 46 -0.114 2.010 0.927
388 H ILE 47 H ILE 47 2.356 1.789 0.619
389 HA ILE 47 HA ILE 47 4.632 2.252 2.179
390 HB ILE 47 HB ILE 47 3.873 -0.145 0.505
391 1HG1 ILE 47 2HG1 ILE 47 3.574 0.405 3.468
392 2HG1 ILE 47 1HG1 ILE 47 2.275 0.462 2.283
393 1HG2 ILE 47 1HG2 ILE 47 6.257 -0.202 0.937
394 2HG2 ILE 47 2HG2 ILE 47 5.428 -1.429 1.895
395 3HG2 ILE 47 3HG2 ILE 47 5.976 0.066 2.657
396 1HD1 ILE 47 1HD1 ILE 47 2.224 -1.607 3.547
397 2HD1 ILE 47 2HD1 ILE 47 3.869 -1.977 3.030
398 3HD1 ILE 47 3HD1 ILE 47 2.564 -1.920 1.845
399 H TYR 48 H TYR 48 4.397 1.458 -1.283
400 HA TYR 48 HA TYR 48 7.279 1.753 -1.556
401 1HB TYR 48 2HB TYR 48 6.088 -0.135 -2.643
402 2HB TYR 48 1HB TYR 48 5.179 1.020 -3.608
403 HD1 TYR 48 HD1 TYR 48 8.699 0.014 -2.865
404 HD2 TYR 48 HD2 TYR 48 5.947 1.566 -5.714
405 HE1 TYR 48 HE1 TYR 48 10.447 -0.076 -4.595
406 HE2 TYR 48 HE2 TYR 48 7.688 1.492 -7.448
407 HH TYR 48 HH TYR 48 10.077 1.435 -7.658
408 H GLY 49 H GLY 49 4.447 3.603 -1.946
409 1HA GLY 49 2HA GLY 49 5.662 5.277 -4.022
410 2HA GLY 49 1HA GLY 49 3.960 5.244 -3.602
411 H LEU 50 H LEU 50 3.544 6.024 -1.221
412 HA LEU 50 HA LEU 50 4.762 8.693 -1.377
413 1HB LEU 50 2HB LEU 50 2.034 7.891 -0.389
414 2HB LEU 50 1HB LEU 50 2.650 9.533 -0.445
415 HG LEU 50 HG LEU 50 2.161 7.760 -2.844
416 1HD1 LEU 50 1HD1 LEU 50 0.092 8.490 -1.792
417 2HD1 LEU 50 2HD1 LEU 50 0.338 9.325 -3.325
418 3HD1 LEU 50 3HD1 LEU 50 0.657 10.161 -1.808
419 1HD2 LEU 50 1HD2 LEU 50 3.028 10.645 -2.668
420 2HD2 LEU 50 2HD2 LEU 50 2.621 9.779 -4.149
421 3HD2 LEU 50 3HD2 LEU 50 4.024 9.290 -3.199
422 H ILE 51 H ILE 51 2.965 6.996 1.228
423 HA ILE 51 HA ILE 51 4.915 8.172 3.085
424 HB ILE 51 HB ILE 51 3.252 9.027 4.540
425 1HG1 ILE 51 2HG1 ILE 51 1.575 7.210 4.250
426 2HG1 ILE 51 1HG1 ILE 51 0.862 8.816 4.231
427 1HG2 ILE 51 1HG2 ILE 51 3.824 10.486 2.706
428 2HG2 ILE 51 2HG2 ILE 51 2.132 10.706 3.148
429 3HG2 ILE 51 3HG2 ILE 51 2.554 9.775 1.710
430 1HD1 ILE 51 1HD1 ILE 51 -0.155 7.358 2.580
431 2HD1 ILE 51 2HD1 ILE 51 1.417 7.104 1.820
432 3HD1 ILE 51 3HD1 ILE 51 0.678 8.706 1.804
433 H THR 52 H THR 52 4.366 7.433 5.405
434 HA THR 52 HA THR 52 4.553 4.568 5.402
435 HB THR 52 HB THR 52 4.700 5.004 7.957
436 HG1 THR 52 HG1 THR 52 5.499 7.600 7.278
437 1HG2 THR 52 1HG2 THR 52 7.046 5.671 7.755
438 2HG2 THR 52 2HG2 THR 52 6.764 6.155 6.083
439 3HG2 THR 52 3HG2 THR 52 6.623 4.460 6.546
440 H LEU 53 H LEU 53 3.342 3.323 7.105
441 HA LEU 53 HA LEU 53 0.598 3.411 6.522
442 1HB LEU 53 2HB LEU 53 1.690 1.349 7.130
443 2HB LEU 53 1HB LEU 53 2.121 1.986 8.702
444 HG LEU 53 HG LEU 53 -0.239 2.008 9.358
445 1HD1 LEU 53 1HD1 LEU 53 -1.931 0.972 7.947
446 2HD1 LEU 53 2HD1 LEU 53 -0.743 0.768 6.659
447 3HD1 LEU 53 3HD1 LEU 53 -1.230 2.387 7.163
448 1HD2 LEU 53 1HD2 LEU 53 1.093 0.026 9.820
449 2HD2 LEU 53 2HD2 LEU 53 0.675 -0.638 8.241
450 3HD2 LEU 53 3HD2 LEU 53 -0.578 -0.411 9.464
451 H ALA 54 H ALA 54 2.457 4.912 9.059
452 HA ALA 54 HA ALA 54 0.492 5.375 10.973
453 1HB ALA 54 1HB ALA 54 1.828 7.298 11.684
454 2HB ALA 54 2HB ALA 54 2.763 7.203 10.190
455 3HB ALA 54 3HB ALA 54 2.843 5.890 11.365
456 H GLU 55 H GLU 55 1.498 7.585 8.358
457 HA GLU 55 HA GLU 55 -0.524 9.481 8.782
458 1HB GLU 55 2HB GLU 55 1.586 9.766 7.421
459 2HB GLU 55 1HB GLU 55 0.801 8.851 6.141
460 1HG GLU 55 2HG GLU 55 -0.948 10.536 5.988
461 2HG GLU 55 1HG GLU 55 -0.195 11.449 7.295
462 H ALA 56 H ALA 56 -0.387 6.600 6.766
463 HA ALA 56 HA ALA 56 -2.845 6.934 5.419
464 1HB ALA 56 1HB ALA 56 -1.450 4.360 6.156
465 2HB ALA 56 2HB ALA 56 -1.143 5.322 4.709
466 3HB ALA 56 3HB ALA 56 -2.715 4.557 4.940
467 H LYS 57 H LYS 57 -2.098 5.405 8.569
468 HA LYS 57 HA LYS 57 -4.657 4.383 9.056
469 1HB LYS 57 2HB LYS 57 -2.678 5.537 11.026
470 2HB LYS 57 1HB LYS 57 -4.126 4.656 11.481
471 1HG LYS 57 2HG LYS 57 -3.262 2.682 10.288
472 2HG LYS 57 1HG LYS 57 -1.778 3.577 9.942
473 1HD LYS 57 2HD LYS 57 -1.507 3.910 12.406
474 2HD LYS 57 1HD LYS 57 -2.871 2.821 12.648
475 1HE LYS 57 2HE LYS 57 -1.647 1.040 11.506
476 2HE LYS 57 1HE LYS 57 -0.285 2.134 11.262
477 1HZ LYS 57 1HZ LYS 57 0.200 0.826 13.149
478 2HZ LYS 57 2HZ LYS 57 -1.327 1.083 13.832
479 3HZ LYS 57 3HZ LYS 57 -0.213 2.361 13.741
480 H GLN 58 H GLN 58 -3.327 7.565 9.842
481 HA GLN 58 HA GLN 58 -5.521 8.552 11.253
482 1HB GLN 58 2HB GLN 58 -3.176 9.758 9.883
483 2HB GLN 58 1HB GLN 58 -4.495 10.831 10.321
484 1HG GLN 58 2HG GLN 58 -2.782 10.797 12.038
485 2HG GLN 58 1HG GLN 58 -4.304 10.154 12.649
486 1HE2 GLN 58 1HE2 GLN 58 -1.002 9.506 11.937
487 2HE2 GLN 58 2HE2 GLN 58 -0.953 7.903 12.587
488 H THR 59 H THR 59 -4.832 8.750 7.770
489 HA THR 59 HA THR 59 -7.410 10.106 7.417
490 HB THR 59 HB THR 59 -5.195 9.706 5.400
491 HG1 THR 59 HG1 THR 59 -5.688 11.620 7.377
492 1HG2 THR 59 1HG2 THR 59 -7.674 11.441 5.334
493 2HG2 THR 59 2HG2 THR 59 -7.368 10.017 4.336
494 3HG2 THR 59 3HG2 THR 59 -6.380 11.466 4.137
495 H TYR 60 H TYR 60 -5.597 7.335 6.102
496 HA TYR 60 HA TYR 60 -8.017 6.454 4.704
497 1HB TYR 60 2HB TYR 60 -5.132 5.758 4.170
498 2HB TYR 60 1HB TYR 60 -6.503 5.136 3.264
499 HD1 TYR 60 HD1 TYR 60 -7.952 6.812 1.999
500 HD2 TYR 60 HD2 TYR 60 -4.121 7.778 3.569
501 HE1 TYR 60 HE1 TYR 60 -7.816 8.728 0.469
502 HE2 TYR 60 HE2 TYR 60 -3.975 9.700 2.046
503 HH TYR 60 HH TYR 60 -6.648 10.874 0.309
504 H GLY 61 H GLY 61 -7.157 5.895 7.582
505 1HA GLY 61 2HA GLY 61 -5.931 3.426 7.851
506 2HA GLY 61 1HA GLY 61 -6.938 4.179 9.066
507 H LEU 62 H LEU 62 -9.235 4.005 7.041
508 HA LEU 62 HA LEU 62 -11.143 2.764 7.168
509 1HB LEU 62 2HB LEU 62 -10.244 0.271 6.191
510 2HB LEU 62 1HB LEU 62 -11.077 1.547 5.330
511 HG LEU 62 HG LEU 62 -8.550 2.481 5.197
512 1HD1 LEU 62 1HD1 LEU 62 -7.563 0.592 6.351
513 2HD1 LEU 62 2HD1 LEU 62 -7.053 0.618 4.661
514 3HD1 LEU 62 3HD1 LEU 62 -8.293 -0.519 5.191
515 1HD2 LEU 62 1HD2 LEU 62 -8.484 1.592 2.941
516 2HD2 LEU 62 2HD2 LEU 62 -10.103 2.174 3.334
517 3HD2 LEU 62 3HD2 LEU 62 -9.759 0.441 3.340
518 H SER 63 H SER 63 -9.302 -0.184 7.544
519 HA SER 63 HA SER 63 -9.834 -0.288 10.395
520 1HB SER 63 2HB SER 63 -10.909 -2.383 8.485
521 2HB SER 63 1HB SER 63 -10.919 -2.511 10.244
522 HG SER 63 HG SER 63 -12.008 -0.168 9.425
523 H ASP 64 H ASP 64 -8.492 -1.733 11.498
524 HA ASP 64 HA ASP 64 -5.922 -2.085 10.475
525 1HB ASP 64 2HB ASP 64 -6.460 -2.031 12.886
526 2HB ASP 64 1HB ASP 64 -7.249 -3.598 12.742
527 H GLU 65 H GLU 65 -8.501 -4.493 10.908
528 HA GLU 65 HA GLU 65 -7.097 -6.667 9.791
529 1HB GLU 65 2HB GLU 65 -9.988 -6.080 10.289
530 2HB GLU 65 1HB GLU 65 -9.522 -7.528 9.406
531 1HG GLU 65 2HG GLU 65 -8.546 -6.797 12.152
532 2HG GLU 65 1HG GLU 65 -9.865 -7.913 11.802
533 H GLU 66 H GLU 66 -9.148 -4.211 8.359
534 HA GLU 66 HA GLU 66 -9.405 -5.289 5.792
535 1HB GLU 66 2HB GLU 66 -10.637 -3.295 6.564
536 2HB GLU 66 1HB GLU 66 -9.140 -2.375 6.565
537 1HG GLU 66 2HG GLU 66 -10.362 -1.827 4.595
538 2HG GLU 66 1HG GLU 66 -8.947 -2.770 4.134
539 H PHE 67 H PHE 67 -6.920 -3.079 7.073
540 HA PHE 67 HA PHE 67 -5.354 -3.018 4.735
541 1HB PHE 67 2HB PHE 67 -5.189 -1.422 6.677
542 2HB PHE 67 1HB PHE 67 -4.370 -2.691 7.579
543 HD1 PHE 67 HD1 PHE 67 -4.104 -0.303 4.821
544 HD2 PHE 67 HD2 PHE 67 -2.094 -3.302 7.072
545 HE1 PHE 67 HE1 PHE 67 -1.958 0.423 3.869
546 HE2 PHE 67 HE2 PHE 67 0.058 -2.576 6.129
547 HZ PHE 67 HZ PHE 67 0.128 -0.708 4.522
548 H ASN 68 H ASN 68 -5.326 -5.106 7.589
549 HA ASN 68 HA ASN 68 -3.055 -6.631 6.976
550 1HB ASN 68 2HB ASN 68 -5.557 -7.346 8.505
551 2HB ASN 68 1HB ASN 68 -4.186 -8.436 8.356
552 1HD2 ASN 68 1HD2 ASN 68 -5.303 -7.326 10.744
553 2HD2 ASN 68 2HD2 ASN 68 -4.049 -6.390 11.495
554 H SER 69 H SER 69 -6.399 -6.950 5.904
555 HA SER 69 HA SER 69 -6.136 -9.530 4.826
556 1HB SER 69 2HB SER 69 -8.259 -9.176 3.791
557 2HB SER 69 1HB SER 69 -8.301 -8.315 5.324
558 HG SER 69 HG SER 69 -7.749 -6.392 4.083
559 H TRP 70 H TRP 70 -5.358 -6.360 3.522
560 HA TRP 70 HA TRP 70 -5.091 -7.209 0.815
561 1HB TRP 70 2HB TRP 70 -3.708 -4.870 2.148
562 2HB TRP 70 1HB TRP 70 -4.014 -5.080 0.430
563 HD1 TRP 70 HD1 TRP 70 -7.185 -6.091 1.427
564 HE1 TRP 70 HE1 TRP 70 -8.860 -4.160 1.766
565 HE3 TRP 70 HE3 TRP 70 -3.887 -2.206 1.760
566 HZ2 TRP 70 HZ2 TRP 70 -8.783 -1.365 2.090
567 HZ3 TRP 70 HZ3 TRP 70 -4.770 0.060 2.079
568 HH2 TRP 70 HH2 TRP 70 -7.165 0.474 2.242
569 H VAL 71 H VAL 71 -2.781 -6.620 3.442
570 HA VAL 71 HA VAL 71 -0.486 -7.424 2.000
571 HB VAL 71 HB VAL 71 -0.866 -7.523 4.993
572 1HG1 VAL 71 1HG1 VAL 71 1.127 -8.690 4.208
573 2HG1 VAL 71 2HG1 VAL 71 1.560 -7.219 5.078
574 3HG1 VAL 71 3HG1 VAL 71 1.625 -7.251 3.316
575 1HG2 VAL 71 1HG2 VAL 71 -1.468 -5.318 4.124
576 2HG2 VAL 71 2HG2 VAL 71 0.077 -5.228 3.277
577 3HG2 VAL 71 3HG2 VAL 71 0.037 -5.252 5.040
578 H SER 72 H SER 72 -2.800 -9.166 4.005
579 HA SER 72 HA SER 72 -1.389 -11.588 4.217
580 1HB SER 72 2HB SER 72 -4.360 -11.027 4.271
581 2HB SER 72 1HB SER 72 -3.643 -12.590 4.670
582 HG SER 72 HG SER 72 -3.240 -10.107 5.987
583 H ALA 73 H ALA 73 -3.490 -10.317 1.695
584 HA ALA 73 HA ALA 73 -3.609 -12.761 0.215
585 1HB ALA 73 1HB ALA 73 -4.117 -9.930 -0.698
586 2HB ALA 73 2HB ALA 73 -5.320 -11.028 -0.024
587 3HB ALA 73 3HB ALA 73 -4.560 -11.397 -1.571
588 H LEU 74 H LEU 74 -1.541 -9.937 0.239
589 HA LEU 74 HA LEU 74 -0.132 -10.598 -2.159
590 1HB LEU 74 2HB LEU 74 0.457 -8.670 0.089
591 2HB LEU 74 1HB LEU 74 1.427 -8.796 -1.370
592 HG LEU 74 HG LEU 74 -1.505 -8.081 -1.339
593 1HD1 LEU 74 1HD1 LEU 74 -0.773 -5.802 -1.817
594 2HD1 LEU 74 2HD1 LEU 74 0.908 -6.298 -1.618
595 3HD1 LEU 74 3HD1 LEU 74 -0.196 -6.349 -0.242
596 1HD2 LEU 74 1HD2 LEU 74 -1.100 -7.418 -3.658
597 2HD2 LEU 74 2HD2 LEU 74 -0.758 -9.131 -3.409
598 3HD2 LEU 74 3HD2 LEU 74 0.570 -7.974 -3.527
599 H ALA 75 H ALA 75 0.280 -11.178 1.259
600 HA ALA 75 HA ALA 75 2.911 -12.320 0.888
601 1HB ALA 75 1HB ALA 75 2.926 -12.626 3.299
602 2HB ALA 75 2HB ALA 75 1.227 -12.162 3.380
603 3HB ALA 75 3HB ALA 75 2.441 -10.980 2.886
604 H GLU 76 H GLU 76 0.009 -13.405 0.134
605 HA GLU 76 HA GLU 76 -1.003 -15.418 -0.127
606 1HB GLU 76 2HB GLU 76 1.193 -15.708 -1.349
607 2HB GLU 76 1HB GLU 76 1.786 -16.558 0.071
608 1HG GLU 76 2HG GLU 76 0.039 -18.237 -0.197
609 2HG GLU 76 1HG GLU 76 -0.579 -17.373 -1.606
610 H HIS 77 H HIS 77 -1.381 -14.626 2.311
611 HA HIS 77 HA HIS 77 -2.178 -15.369 4.303
612 1HB HIS 77 2HB HIS 77 -1.317 -18.069 3.256
613 2HB HIS 77 1HB HIS 77 -2.050 -17.849 4.839
614 HD1 HIS 77 HD1 HIS 77 -4.516 -18.019 4.910
615 HD2 HIS 77 HD2 HIS 77 -3.123 -17.104 1.095
616 HE1 HIS 77 HE1 HIS 77 -6.536 -18.084 3.411
617 HE2 HIS 77 HE2 HIS 77 -5.702 -17.316 1.164
618 H GLY 78 H GLY 78 0.837 -14.910 3.550
619 1HA GLY 78 2HA GLY 78 2.583 -14.351 5.011
620 2HA GLY 78 1HA GLY 78 1.757 -15.226 6.293
621 H LYS 79 H LYS 79 2.964 -16.067 3.064
622 HA LYS 79 HA LYS 79 3.662 -18.703 3.771
623 1HB LYS 79 2HB LYS 79 4.832 -18.756 1.595
624 2HB LYS 79 1HB LYS 79 3.207 -18.100 1.470
625 1HG LYS 79 2HG LYS 79 4.211 -15.814 1.522
626 2HG LYS 79 1HG LYS 79 5.800 -16.576 1.424
627 1HD LYS 79 2HD LYS 79 3.571 -16.844 -0.592
628 2HD LYS 79 1HD LYS 79 5.018 -15.856 -0.777
629 1HE LYS 79 2HE LYS 79 4.925 -18.862 -0.521
630 2HE LYS 79 1HE LYS 79 5.232 -17.953 -2.000
631 1HZ LYS 79 1HZ LYS 79 7.193 -16.972 -0.770
632 2HZ LYS 79 2HZ LYS 79 7.320 -18.601 -1.218
633 3HZ LYS 79 3HZ LYS 79 6.965 -18.194 0.387
634 H ASP 80 H ASP 80 5.390 -15.708 4.017
635 HA ASP 80 HA ASP 80 7.367 -16.940 5.671
636 1HB ASP 80 2HB ASP 80 9.347 -16.188 4.359
637 2HB ASP 80 1HB ASP 80 8.440 -17.472 3.571
638 H ALA 81 H ALA 81 6.434 -14.084 3.832
639 HA ALA 81 HA ALA 81 6.144 -11.913 4.403
640 1HB ALA 81 1HB ALA 81 5.826 -11.300 6.743
641 2HB ALA 81 2HB ALA 81 6.441 -12.876 7.247
642 3HB ALA 81 3HB ALA 81 4.930 -12.765 6.345
643 H LEU 82 H LEU 82 8.888 -13.359 4.292
644 HA LEU 82 HA LEU 82 10.464 -11.124 5.395
645 1HB LEU 82 2HB LEU 82 11.250 -14.029 5.134
646 2HB LEU 82 1HB LEU 82 12.335 -12.743 5.628
647 HG LEU 82 HG LEU 82 9.863 -13.600 7.135
648 1HD1 LEU 82 1HD1 LEU 82 11.466 -14.482 8.780
649 2HD1 LEU 82 2HD1 LEU 82 12.787 -14.101 7.675
650 3HD1 LEU 82 3HD1 LEU 82 11.582 -15.307 7.226
651 1HD2 LEU 82 1HD2 LEU 82 10.727 -12.155 8.909
652 2HD2 LEU 82 2HD2 LEU 82 10.384 -11.236 7.443
653 3HD2 LEU 82 3HD2 LEU 82 12.048 -11.649 7.857
654 H LYS 83 H LYS 83 9.847 -13.242 2.708
655 HA LYS 83 HA LYS 83 12.046 -12.064 1.163
656 1HB LYS 83 2HB LYS 83 10.126 -14.275 0.400
657 2HB LYS 83 1HB LYS 83 11.561 -13.788 -0.491
658 1HG LYS 83 2HG LYS 83 12.994 -14.580 1.255
659 2HG LYS 83 1HG LYS 83 11.611 -14.895 2.307
660 1HD LYS 83 2HD LYS 83 10.790 -16.522 0.595
661 2HD LYS 83 1HD LYS 83 12.307 -16.288 -0.273
662 1HE LYS 83 2HE LYS 83 13.564 -17.151 1.578
663 2HE LYS 83 1HE LYS 83 12.121 -17.209 2.591
664 1HZ LYS 83 1HZ LYS 83 11.199 -18.889 1.127
665 2HZ LYS 83 2HZ LYS 83 12.707 -19.393 1.720
666 3HZ LYS 83 3HZ LYS 83 12.570 -18.817 0.130
667 H VAL 84 H VAL 84 8.749 -11.689 1.738
668 HA VAL 84 HA VAL 84 7.787 -10.866 -0.777
669 HB VAL 84 HB VAL 84 6.878 -9.909 1.944
670 1HG1 VAL 84 1HG1 VAL 84 5.407 -10.008 -0.685
671 2HG1 VAL 84 2HG1 VAL 84 6.035 -8.552 0.086
672 3HG1 VAL 84 3HG1 VAL 84 4.743 -9.473 0.859
673 1HG2 VAL 84 1HG2 VAL 84 6.879 -12.347 1.810
674 2HG2 VAL 84 2HG2 VAL 84 5.928 -12.268 0.326
675 3HG2 VAL 84 3HG2 VAL 84 5.234 -11.709 1.848
676 H THR 85 H THR 85 8.386 -9.182 -1.952
677 HA THR 85 HA THR 85 10.426 -7.472 -1.383
678 HB THR 85 HB THR 85 8.146 -6.749 -3.221
679 HG1 THR 85 HG1 THR 85 10.278 -8.623 -3.503
680 1HG2 THR 85 1HG2 THR 85 11.119 -6.195 -3.358
681 2HG2 THR 85 2HG2 THR 85 9.869 -5.021 -2.948
682 3HG2 THR 85 3HG2 THR 85 9.923 -5.721 -4.566
683 H ALA 86 H ALA 86 6.974 -6.556 -1.251
684 HA ALA 86 HA ALA 86 7.447 -3.891 -0.481
685 1HB ALA 86 1HB ALA 86 5.363 -4.663 -1.523
686 2HB ALA 86 2HB ALA 86 5.068 -3.774 -0.027
687 3HB ALA 86 3HB ALA 86 4.958 -5.535 -0.046
688 H LEU 87 H LEU 87 7.291 -6.817 1.374
689 HA LEU 87 HA LEU 87 6.723 -5.400 3.853
690 1HB LEU 87 2HB LEU 87 5.856 -7.776 3.069
691 2HB LEU 87 1HB LEU 87 7.381 -8.315 3.739
692 HG LEU 87 HG LEU 87 5.540 -8.572 5.335
693 1HD1 LEU 87 1HD1 LEU 87 7.514 -6.453 6.160
694 2HD1 LEU 87 2HD1 LEU 87 7.766 -8.197 6.229
695 3HD1 LEU 87 3HD1 LEU 87 6.546 -7.440 7.254
696 1HD2 LEU 87 1HD2 LEU 87 4.482 -6.582 6.320
697 2HD2 LEU 87 2HD2 LEU 87 4.107 -6.770 4.607
698 3HD2 LEU 87 3HD2 LEU 87 5.298 -5.578 5.122
699 H LYS 88 H LYS 88 9.236 -7.382 2.370
700 HA LYS 88 HA LYS 88 11.160 -7.276 4.372
701 1HB LYS 88 2HB LYS 88 11.427 -8.722 2.448
702 2HB LYS 88 1HB LYS 88 11.477 -7.338 1.366
703 1HG LYS 88 2HG LYS 88 13.586 -6.621 2.389
704 2HG LYS 88 1HG LYS 88 13.538 -8.032 3.450
705 1HD LYS 88 2HD LYS 88 13.657 -9.516 1.539
706 2HD LYS 88 1HD LYS 88 13.588 -8.141 0.437
707 1HE LYS 88 2HE LYS 88 15.871 -9.001 0.698
708 2HE LYS 88 1HE LYS 88 15.722 -7.335 1.257
709 1HZ LYS 88 1HZ LYS 88 15.887 -7.988 3.466
710 2HZ LYS 88 2HZ LYS 88 17.008 -8.996 2.695
711 3HZ LYS 88 3HZ LYS 88 15.490 -9.603 3.140
712 H LYS 89 H LYS 89 10.406 -4.988 1.785
713 HA LYS 89 HA LYS 89 12.627 -3.291 2.355
714 1HB LYS 89 2HB LYS 89 10.110 -2.844 0.768
715 2HB LYS 89 1HB LYS 89 11.341 -1.605 0.963
716 1HG LYS 89 2HG LYS 89 12.992 -3.220 -0.004
717 2HG LYS 89 1HG LYS 89 11.629 -4.277 -0.379
718 1HD LYS 89 2HD LYS 89 10.642 -2.567 -1.772
719 2HD LYS 89 1HD LYS 89 11.919 -1.432 -1.334
720 1HE LYS 89 2HE LYS 89 12.237 -4.003 -2.877
721 2HE LYS 89 1HE LYS 89 12.355 -2.366 -3.524
722 1HZ LYS 89 1HZ LYS 89 14.226 -3.767 -1.710
723 2HZ LYS 89 2HZ LYS 89 14.241 -2.077 -1.859
724 3HZ LYS 89 3HZ LYS 89 14.546 -3.052 -3.213
725 H TYR 90 H TYR 90 9.170 -3.114 3.186
726 HA TYR 90 HA TYR 90 9.358 -0.589 4.444
727 1HB TYR 90 2HB TYR 90 7.252 -1.742 3.620
728 2HB TYR 90 1HB TYR 90 7.318 -2.722 5.079
729 HD1 TYR 90 HD1 TYR 90 7.421 0.882 4.084
730 HD2 TYR 90 HD2 TYR 90 6.074 -2.011 6.901
731 HE1 TYR 90 HE1 TYR 90 6.202 2.640 5.295
732 HE2 TYR 90 HE2 TYR 90 4.848 -0.259 8.118
733 HH TYR 90 HH TYR 90 4.837 2.135 8.410
734 H ARG 91 H ARG 91 10.193 -3.754 5.490
735 HA ARG 91 HA ARG 91 10.174 -3.005 8.308
736 1HB ARG 91 2HB ARG 91 9.436 -5.271 7.513
737 2HB ARG 91 1HB ARG 91 11.095 -5.588 7.035
738 1HG ARG 91 2HG ARG 91 11.806 -5.343 9.370
739 2HG ARG 91 1HG ARG 91 10.127 -5.056 9.836
740 1HD ARG 91 2HD ARG 91 9.522 -7.266 8.944
741 2HD ARG 91 1HD ARG 91 11.212 -7.547 8.538
742 HE ARG 91 HE ARG 91 10.167 -7.278 11.287
743 1HH1 ARG 91 1HH1 ARG 91 12.526 -8.475 9.000
744 2HH1 ARG 91 2HH1 ARG 91 13.330 -9.502 10.146
745 1HH2 ARG 91 1HH2 ARG 91 11.219 -8.617 12.822
746 2HH2 ARG 91 2HH2 ARG 91 12.561 -9.602 12.319
747 H GLN 92 H GLN 92 12.477 -3.890 5.760
748 HA GLN 92 HA GLN 92 14.762 -3.766 7.479
749 1HB GLN 92 2HB GLN 92 14.580 -5.211 5.448
750 2HB GLN 92 1HB GLN 92 14.664 -3.762 4.459
751 1HG GLN 92 2HG GLN 92 16.898 -3.295 5.407
752 2HG GLN 92 1HG GLN 92 16.807 -4.824 6.283
753 1HE2 GLN 92 1HE2 GLN 92 17.194 -3.308 3.200
754 2HE2 GLN 92 2HE2 GLN 92 17.678 -4.719 2.322
755 H LEU 93 H LEU 93 13.183 -1.538 5.274
756 HA LEU 93 HA LEU 93 15.300 0.285 4.927
757 1HB LEU 93 2HB LEU 93 13.241 0.179 3.541
758 2HB LEU 93 1HB LEU 93 12.334 0.846 4.884
759 HG LEU 93 HG LEU 93 13.761 2.896 4.748
760 1HD1 LEU 93 1HD1 LEU 93 15.694 1.918 3.644
761 2HD1 LEU 93 2HD1 LEU 93 15.053 3.266 2.706
762 3HD1 LEU 93 3HD1 LEU 93 14.728 1.607 2.201
763 1HD2 LEU 93 1HD2 LEU 93 11.553 2.869 3.755
764 2HD2 LEU 93 2HD2 LEU 93 12.196 2.139 2.282
765 3HD2 LEU 93 3HD2 LEU 93 12.662 3.780 2.730
766 H LEU 94 H LEU 94 13.138 -0.229 7.571
767 HA LEU 94 HA LEU 94 13.460 2.401 8.685
768 1HB LEU 94 2HB LEU 94 12.067 -0.096 9.511
769 2HB LEU 94 1HB LEU 94 12.451 1.083 10.753
770 HG LEU 94 HG LEU 94 11.174 2.794 9.527
771 1HD1 LEU 94 1HD1 LEU 94 10.447 0.551 7.645
772 2HD1 LEU 94 2HD1 LEU 94 11.486 1.924 7.260
773 3HD1 LEU 94 3HD1 LEU 94 9.781 2.185 7.631
774 1HD2 LEU 94 1HD2 LEU 94 8.948 1.872 9.945
775 2HD2 LEU 94 2HD2 LEU 94 10.068 1.458 11.244
776 3HD2 LEU 94 3HD2 LEU 94 9.632 0.250 10.035
777 H GLU 95 H GLU 95 15.459 -0.253 8.503
778 HA GLU 95 HA GLU 95 16.873 0.496 10.969
779 1HB GLU 95 2HB GLU 95 17.230 -1.903 9.163
780 2HB GLU 95 1HB GLU 95 18.228 -1.555 10.566
781 1HG GLU 95 2HG GLU 95 15.999 -1.539 11.859
782 2HG GLU 95 1HG GLU 95 15.367 -2.393 10.451
783 H HIS 96 H HIS 96 16.799 2.182 8.665
784 HA HIS 96 HA HIS 96 19.067 2.130 7.075
785 1HB HIS 96 2HB HIS 96 18.825 4.642 6.983
786 2HB HIS 96 1HB HIS 96 17.388 3.723 6.555
787 HD1 HIS 96 HD1 HIS 96 18.479 6.479 8.615
788 HD2 HIS 96 HD2 HIS 96 15.466 3.620 8.809
789 HE1 HIS 96 HE1 HIS 96 16.798 7.366 10.262
790 HE2 HIS 96 HE2 HIS 96 14.880 5.729 10.168
791 H HIS 97 H HIS 97 18.766 3.059 10.440
792 HA HIS 97 HA HIS 97 21.700 3.321 10.469
793 1HB HIS 97 2HB HIS 97 19.612 4.736 12.047
794 2HB HIS 97 1HB HIS 97 21.103 4.310 12.879
795 HD1 HIS 97 HD1 HIS 97 23.362 5.260 11.725
796 HD2 HIS 97 HD2 HIS 97 19.774 6.988 10.513
797 HE1 HIS 97 HE1 HIS 97 23.991 7.429 10.615
798 HE2 HIS 97 HE2 HIS 97 21.814 8.434 9.835
799 H HIS 98 H HIS 98 21.568 0.969 10.358
800 HA HIS 98 HA HIS 98 20.651 -0.468 12.669
801 1HB HIS 98 2HB HIS 98 20.812 -1.404 10.306
802 2HB HIS 98 1HB HIS 98 22.556 -1.443 10.527
803 HD1 HIS 98 HD1 HIS 98 23.503 -3.489 11.628
804 HD2 HIS 98 HD2 HIS 98 19.386 -3.167 12.124
805 HE1 HIS 98 HE1 HIS 98 22.773 -5.663 12.654
806 HE2 HIS 98 HE2 HIS 98 20.274 -5.475 12.894
807 H HIS 99 H HIS 99 23.878 -0.188 11.218
808 HA HIS 99 HA HIS 99 25.927 0.282 12.041
809 1HB HIS 99 2HB HIS 99 24.697 2.145 13.235
810 2HB HIS 99 1HB HIS 99 24.646 1.097 14.649
811 HD1 HIS 99 HD1 HIS 99 26.930 3.251 12.648
812 HD2 HIS 99 HD2 HIS 99 27.143 0.684 15.918
813 HE1 HIS 99 HE1 HIS 99 29.178 3.669 13.700
814 HE2 HIS 99 HE2 HIS 99 29.377 1.928 15.510
815 H HIS 100 H HIS 100 23.984 -1.188 14.639
816 HA HIS 100 HA HIS 100 26.029 -2.512 15.977
817 1HB HIS 100 2HB HIS 100 23.677 -2.275 16.781
818 2HB HIS 100 1HB HIS 100 23.179 -3.472 15.593
819 HD1 HIS 100 HD1 HIS 100 24.489 -3.118 18.986
820 HD2 HIS 100 HD2 HIS 100 24.233 -6.131 16.136
821 HE1 HIS 100 HE1 HIS 100 24.919 -5.257 20.228
822 HE2 HIS 100 HE2 HIS 100 24.957 -7.040 18.448
823 H HIS 101 H HIS 101 27.201 -4.306 15.570
824 HA HIS 101 HA HIS 101 26.641 -5.723 13.059
825 1HB HIS 101 2HB HIS 101 28.888 -4.686 13.329
826 2HB HIS 101 1HB HIS 101 29.171 -5.718 14.727
827 HD1 HIS 101 HD1 HIS 101 29.930 -8.093 14.294
828 HD2 HIS 101 HD2 HIS 101 28.823 -6.072 10.831
829 HE1 HIS 101 HE1 HIS 101 30.633 -9.573 12.387
830 HE2 HIS 101 HE2 HIS 101 30.001 -8.315 10.296
Start of MODEL 12
1 1H MET 1 1H MET 1 20.914 7.438 -11.950
2 2H MET 1 2H MET 1 20.862 8.946 -11.181
3 3H MET 1 3H MET 1 19.536 7.897 -11.074
4 HA MET 1 HA MET 1 20.825 6.320 -9.824
5 1HB MET 1 2HB MET 1 23.003 6.701 -10.763
6 2HB MET 1 1HB MET 1 23.014 8.365 -10.200
7 1HG MET 1 2HG MET 1 24.454 6.938 -8.853
8 2HG MET 1 1HG MET 1 23.137 7.621 -7.902
9 1HE MET 1 1HE MET 1 23.626 5.880 -5.982
10 2HE MET 1 2HE MET 1 24.938 5.173 -6.925
11 3HE MET 1 3HE MET 1 23.693 4.135 -6.228
12 H MET 2 H MET 2 21.247 9.844 -9.393
13 HA MET 2 HA MET 2 20.792 9.535 -6.528
14 1HB MET 2 2HB MET 2 22.629 10.953 -7.310
15 2HB MET 2 1HB MET 2 21.495 11.964 -8.190
16 1HG MET 2 2HG MET 2 20.469 12.659 -6.093
17 2HG MET 2 1HG MET 2 21.581 11.622 -5.197
18 1HE MET 2 1HE MET 2 22.321 13.710 -3.696
19 2HE MET 2 2HE MET 2 21.193 14.729 -4.591
20 3HE MET 2 3HE MET 2 22.866 15.244 -4.371
21 H PHE 3 H PHE 3 18.883 9.803 -5.602
22 HA PHE 3 HA PHE 3 16.841 11.417 -6.996
23 1HB PHE 3 2HB PHE 3 16.427 8.868 -5.421
24 2HB PHE 3 1HB PHE 3 15.131 9.887 -6.029
25 HD1 PHE 3 HD1 PHE 3 14.765 10.077 -8.472
26 HD2 PHE 3 HD2 PHE 3 17.546 7.322 -6.813
27 HE1 PHE 3 HE1 PHE 3 14.763 8.812 -10.583
28 HE2 PHE 3 HE2 PHE 3 17.556 6.054 -8.921
29 HZ PHE 3 HZ PHE 3 16.160 6.800 -10.808
30 H LEU 4 H LEU 4 17.166 9.826 -3.851
31 HA LEU 4 HA LEU 4 17.038 10.537 -1.711
32 1HB LEU 4 2HB LEU 4 17.758 13.185 -2.950
33 2HB LEU 4 1HB LEU 4 17.595 12.944 -1.222
34 HG LEU 4 HG LEU 4 19.596 11.568 -3.019
35 1HD1 LEU 4 1HD1 LEU 4 19.923 13.707 -0.919
36 2HD1 LEU 4 2HD1 LEU 4 20.132 13.902 -2.658
37 3HD1 LEU 4 3HD1 LEU 4 21.241 12.879 -1.747
38 1HD2 LEU 4 1HD2 LEU 4 19.193 11.389 -0.034
39 2HD2 LEU 4 2HD2 LEU 4 20.533 10.680 -0.933
40 3HD2 LEU 4 3HD2 LEU 4 18.887 10.107 -1.206
41 H ARG 5 H ARG 5 14.807 11.250 -3.944
42 HA ARG 5 HA ARG 5 12.626 11.835 -3.904
43 1HB ARG 5 2HB ARG 5 13.067 11.326 -0.970
44 2HB ARG 5 1HB ARG 5 11.497 11.796 -1.606
45 1HG ARG 5 2HG ARG 5 11.450 9.834 -3.025
46 2HG ARG 5 1HG ARG 5 13.058 9.370 -2.466
47 1HD ARG 5 2HD ARG 5 11.210 8.129 -1.361
48 2HD ARG 5 1HD ARG 5 12.249 9.010 -0.241
49 HE ARG 5 HE ARG 5 10.466 10.726 -0.167
50 1HH1 ARG 5 1HH1 ARG 5 9.642 7.489 -1.250
51 2HH1 ARG 5 2HH1 ARG 5 7.999 7.595 -0.711
52 1HH2 ARG 5 1HH2 ARG 5 8.287 10.866 0.523
53 2HH2 ARG 5 2HH2 ARG 5 7.225 9.504 0.287
54 H LYS 6 H LYS 6 14.736 13.925 -3.662
55 HA LYS 6 HA LYS 6 12.961 16.061 -2.681
56 1HB LYS 6 2HB LYS 6 15.778 15.592 -2.186
57 2HB LYS 6 1HB LYS 6 15.512 17.175 -2.904
58 1HG LYS 6 2HG LYS 6 13.810 17.616 -1.147
59 2HG LYS 6 1HG LYS 6 14.267 16.092 -0.387
60 1HD LYS 6 2HD LYS 6 16.533 16.904 -0.069
61 2HD LYS 6 1HD LYS 6 16.135 18.404 -0.911
62 1HE LYS 6 2HE LYS 6 14.848 17.447 1.647
63 2HE LYS 6 1HE LYS 6 16.124 18.659 1.544
64 1HZ LYS 6 1HZ LYS 6 14.703 20.159 0.468
65 2HZ LYS 6 2HZ LYS 6 13.752 19.501 1.710
66 3HZ LYS 6 3HZ LYS 6 13.549 18.972 0.113
67 H VAL 7 H VAL 7 13.483 14.634 -5.371
68 HA VAL 7 HA VAL 7 14.163 16.928 -7.034
69 HB VAL 7 HB VAL 7 13.363 14.151 -7.928
70 1HG1 VAL 7 1HG1 VAL 7 13.097 15.841 -9.650
71 2HG1 VAL 7 2HG1 VAL 7 14.470 14.799 -10.030
72 3HG1 VAL 7 3HG1 VAL 7 14.741 16.412 -9.374
73 1HG2 VAL 7 1HG2 VAL 7 16.118 15.296 -7.469
74 2HG2 VAL 7 2HG2 VAL 7 15.778 13.760 -8.268
75 3HG2 VAL 7 3HG2 VAL 7 15.360 13.983 -6.568
76 H GLU 8 H GLU 8 12.600 18.329 -7.493
77 HA GLU 8 HA GLU 8 9.827 17.621 -7.279
78 1HB GLU 8 2HB GLU 8 11.127 20.167 -8.259
79 2HB GLU 8 1HB GLU 8 9.410 19.959 -7.941
80 1HG GLU 8 2HG GLU 8 9.898 19.516 -5.590
81 2HG GLU 8 1HG GLU 8 11.619 19.730 -5.906
82 H GLY 9 H GLY 9 9.314 16.138 -8.793
83 1HA GLY 9 2HA GLY 9 8.597 16.827 -11.364
84 2HA GLY 9 1HA GLY 9 10.245 16.222 -11.484
85 HA PRO 10 HA PRO 10 8.734 12.030 -11.108
86 1HB PRO 10 2HB PRO 10 10.420 11.287 -8.859
87 2HB PRO 10 1HB PRO 10 10.553 10.810 -10.551
88 1HG PRO 10 2HG PRO 10 12.338 12.464 -9.310
89 2HG PRO 10 1HG PRO 10 12.001 12.508 -11.051
90 1HD PRO 10 2HD PRO 10 11.014 14.300 -8.874
91 2HD PRO 10 1HD PRO 10 11.502 14.700 -10.534
92 H ARG 11 H ARG 11 6.770 13.198 -10.151
93 HA ARG 11 HA ARG 11 6.353 12.630 -7.318
94 1HB ARG 11 2HB ARG 11 5.676 14.813 -8.508
95 2HB ARG 11 1HB ARG 11 4.360 13.879 -9.206
96 1HG ARG 11 2HG ARG 11 3.624 15.121 -7.250
97 2HG ARG 11 1HG ARG 11 3.515 13.383 -6.973
98 1HD ARG 11 2HD ARG 11 4.431 14.620 -5.035
99 2HD ARG 11 1HD ARG 11 5.546 13.415 -5.678
100 HE ARG 11 HE ARG 11 6.339 15.639 -6.958
101 1HH1 ARG 11 1HH1 ARG 11 5.617 15.108 -3.567
102 2HH1 ARG 11 2HH1 ARG 11 6.840 16.209 -3.013
103 1HH2 ARG 11 1HH2 ARG 11 7.930 17.082 -6.229
104 2HH2 ARG 11 2HH2 ARG 11 8.166 17.335 -4.522
105 H SER 12 H SER 12 6.468 10.690 -9.692
106 HA SER 12 HA SER 12 4.123 9.126 -8.887
107 1HB SER 12 2HB SER 12 3.730 10.176 -11.134
108 2HB SER 12 1HB SER 12 5.149 9.320 -11.733
109 HG SER 12 HG SER 12 4.107 7.397 -11.460
110 H VAL 13 H VAL 13 4.495 6.881 -8.834
111 HA VAL 13 HA VAL 13 7.355 6.172 -8.966
112 HB VAL 13 HB VAL 13 6.828 4.372 -7.331
113 1HG1 VAL 13 1HG1 VAL 13 6.137 7.159 -6.406
114 2HG1 VAL 13 2HG1 VAL 13 7.768 6.525 -6.622
115 3HG1 VAL 13 3HG1 VAL 13 6.710 5.836 -5.391
116 1HG2 VAL 13 1HG2 VAL 13 4.434 4.155 -7.794
117 2HG2 VAL 13 2HG2 VAL 13 4.157 5.767 -7.137
118 3HG2 VAL 13 3HG2 VAL 13 4.724 4.471 -6.084
119 H THR 14 H THR 14 7.955 4.144 -9.766
120 HA THR 14 HA THR 14 5.915 2.837 -11.445
121 HB THR 14 HB THR 14 8.920 2.639 -11.745
122 HG1 THR 14 HG1 THR 14 7.344 4.689 -12.332
123 1HG2 THR 14 1HG2 THR 14 7.642 0.755 -12.683
124 2HG2 THR 14 2HG2 THR 14 8.392 1.723 -13.953
125 3HG2 THR 14 3HG2 THR 14 6.668 1.888 -13.620
126 H LEU 15 H LEU 15 5.201 0.961 -10.682
127 HA LEU 15 HA LEU 15 6.585 -0.389 -8.533
128 1HB LEU 15 2HB LEU 15 4.107 -1.256 -10.029
129 2HB LEU 15 1HB LEU 15 4.650 -1.840 -8.468
130 HG LEU 15 HG LEU 15 3.726 0.982 -9.019
131 1HD1 LEU 15 1HD1 LEU 15 1.705 0.350 -7.804
132 2HD1 LEU 15 2HD1 LEU 15 2.284 -1.312 -7.702
133 3HD1 LEU 15 3HD1 LEU 15 1.903 -0.605 -9.272
134 1HD2 LEU 15 1HD2 LEU 15 3.661 1.169 -6.576
135 2HD2 LEU 15 2HD2 LEU 15 5.290 0.846 -7.165
136 3HD2 LEU 15 3HD2 LEU 15 4.345 -0.451 -6.435
137 HA PRO 16 HA PRO 16 8.632 -3.497 -11.049
138 1HB PRO 16 2HB PRO 16 7.977 -5.437 -8.923
139 2HB PRO 16 1HB PRO 16 9.556 -4.920 -9.525
140 1HG PRO 16 2HG PRO 16 8.669 -4.164 -7.117
141 2HG PRO 16 1HG PRO 16 9.631 -3.078 -8.135
142 1HD PRO 16 2HD PRO 16 6.671 -3.103 -7.666
143 2HD PRO 16 1HD PRO 16 7.783 -1.721 -7.770
144 H ASP 17 H ASP 17 5.446 -3.427 -10.241
145 HA ASP 17 HA ASP 17 4.514 -5.878 -11.388
146 1HB ASP 17 2HB ASP 17 3.139 -4.772 -9.752
147 2HB ASP 17 1HB ASP 17 3.184 -3.262 -10.652
148 H GLY 18 H GLY 18 5.565 -2.832 -12.553
149 1HA GLY 18 2HA GLY 18 5.972 -2.372 -14.843
150 2HA GLY 18 1HA GLY 18 4.730 -3.540 -15.272
151 H SER 19 H SER 19 3.291 -2.051 -12.889
152 HA SER 19 HA SER 19 2.105 0.017 -14.593
153 1HB SER 19 2HB SER 19 1.043 -1.116 -11.992
154 2HB SER 19 1HB SER 19 0.175 -0.091 -13.134
155 HG SER 19 HG SER 19 0.848 -2.813 -13.300
156 H ILE 20 H ILE 20 1.759 2.133 -13.733
157 HA ILE 20 HA ILE 20 3.686 2.842 -11.639
158 HB ILE 20 HB ILE 20 3.403 5.159 -12.370
159 1HG1 ILE 20 2HG1 ILE 20 1.587 4.075 -14.535
160 2HG1 ILE 20 1HG1 ILE 20 1.011 4.894 -13.088
161 1HG2 ILE 20 1HG2 ILE 20 5.122 3.851 -13.437
162 2HG2 ILE 20 2HG2 ILE 20 4.404 4.950 -14.614
163 3HG2 ILE 20 3HG2 ILE 20 3.968 3.240 -14.621
164 1HD1 ILE 20 1HD1 ILE 20 1.069 6.389 -15.001
165 2HD1 ILE 20 2HD1 ILE 20 2.796 6.090 -15.190
166 3HD1 ILE 20 3HD1 ILE 20 2.196 6.909 -13.750
167 H MET 21 H MET 21 3.001 4.538 -10.086
168 HA MET 21 HA MET 21 0.110 4.634 -9.639
169 1HB MET 21 2HB MET 21 2.202 3.839 -7.639
170 2HB MET 21 1HB MET 21 0.722 4.629 -7.110
171 1HG MET 21 2HG MET 21 0.907 2.047 -8.644
172 2HG MET 21 1HG MET 21 0.539 2.229 -6.934
173 1HE MET 21 1HE MET 21 -2.951 3.962 -6.990
174 2HE MET 21 2HE MET 21 -1.371 4.733 -6.867
175 3HE MET 21 3HE MET 21 -1.695 3.243 -5.981
176 H THR 22 H THR 22 -0.632 6.568 -9.268
177 HA THR 22 HA THR 22 1.202 8.730 -8.509
178 HB THR 22 HB THR 22 -0.845 9.261 -10.630
179 HG1 THR 22 HG1 THR 22 1.749 8.215 -11.224
180 1HG2 THR 22 1HG2 THR 22 0.395 11.140 -9.745
181 2HG2 THR 22 2HG2 THR 22 0.909 10.841 -11.404
182 3HG2 THR 22 3HG2 THR 22 1.924 10.322 -10.057
183 H ARG 23 H ARG 23 -0.242 10.804 -8.128
184 HA ARG 23 HA ARG 23 -2.233 10.117 -6.197
185 1HB ARG 23 2HB ARG 23 -1.516 12.818 -7.351
186 2HB ARG 23 1HB ARG 23 -2.497 12.543 -5.918
187 1HG ARG 23 2HG ARG 23 -0.546 11.466 -4.845
188 2HG ARG 23 1HG ARG 23 0.419 11.884 -6.262
189 1HD ARG 23 2HD ARG 23 0.788 13.535 -4.555
190 2HD ARG 23 1HD ARG 23 -0.122 14.267 -5.874
191 HE ARG 23 HE ARG 23 -2.034 13.411 -4.108
192 1HH1 ARG 23 1HH1 ARG 23 0.711 15.591 -3.976
193 2HH1 ARG 23 2HH1 ARG 23 0.054 16.539 -2.669
194 1HH2 ARG 23 1HH2 ARG 23 -2.904 14.670 -2.424
195 2HH2 ARG 23 2HH2 ARG 23 -2.004 16.010 -1.784
196 H ALA 24 H ALA 24 -3.262 8.913 -8.216
197 HA ALA 24 HA ALA 24 -5.652 10.440 -8.877
198 1HB ALA 24 1HB ALA 24 -4.119 10.833 -10.771
199 2HB ALA 24 2HB ALA 24 -5.553 9.922 -11.246
200 3HB ALA 24 3HB ALA 24 -4.013 9.090 -11.025
201 H ASP 25 H ASP 25 -3.880 7.388 -8.991
202 HA ASP 25 HA ASP 25 -6.370 5.881 -9.083
203 1HB ASP 25 2HB ASP 25 -3.487 5.201 -9.434
204 2HB ASP 25 1HB ASP 25 -4.583 3.929 -8.898
205 H LEU 26 H LEU 26 -5.116 7.506 -6.769
206 HA LEU 26 HA LEU 26 -5.069 5.461 -4.702
207 1HB LEU 26 2HB LEU 26 -4.705 8.457 -4.564
208 2HB LEU 26 1HB LEU 26 -4.605 7.381 -3.184
209 HG LEU 26 HG LEU 26 -2.763 7.264 -5.574
210 1HD1 LEU 26 1HD1 LEU 26 -1.081 8.219 -4.083
211 2HD1 LEU 26 2HD1 LEU 26 -2.295 8.393 -2.815
212 3HD1 LEU 26 3HD1 LEU 26 -2.437 9.325 -4.305
213 1HD2 LEU 26 1HD2 LEU 26 -2.670 5.872 -2.899
214 2HD2 LEU 26 2HD2 LEU 26 -1.439 5.772 -4.158
215 3HD2 LEU 26 3HD2 LEU 26 -3.051 5.119 -4.448
216 HA PRO 27 HA PRO 27 -9.566 5.701 -4.223
217 1HB PRO 27 2HB PRO 27 -8.560 4.547 -1.638
218 2HB PRO 27 1HB PRO 27 -9.954 4.062 -2.613
219 1HG PRO 27 2HG PRO 27 -7.755 2.639 -2.763
220 2HG PRO 27 1HG PRO 27 -8.614 3.062 -4.252
221 1HD PRO 27 2HD PRO 27 -6.102 4.229 -3.126
222 2HD PRO 27 1HD PRO 27 -6.540 3.916 -4.819
223 HA PRO 28 HA PRO 28 -9.219 9.578 -1.950
224 1HB PRO 28 2HB PRO 28 -11.865 10.164 -3.006
225 2HB PRO 28 1HB PRO 28 -10.325 10.937 -3.381
226 1HG PRO 28 2HG PRO 28 -11.683 9.398 -5.160
227 2HG PRO 28 1HG PRO 28 -9.918 9.550 -5.163
228 1HD PRO 28 2HD PRO 28 -11.624 7.347 -4.062
229 2HD PRO 28 1HD PRO 28 -10.105 7.246 -4.979
230 H ALA 29 H ALA 29 -9.786 7.557 -0.313
231 HA ALA 29 HA ALA 29 -10.653 7.186 1.740
232 1HB ALA 29 1HB ALA 29 -12.279 9.685 1.311
233 2HB ALA 29 2HB ALA 29 -10.695 9.591 2.082
234 3HB ALA 29 3HB ALA 29 -12.090 8.819 2.835
235 H ASN 30 H ASN 30 -13.353 8.367 -0.310
236 HA ASN 30 HA ASN 30 -15.107 6.383 0.811
237 1HB ASN 30 2HB ASN 30 -15.461 8.757 -0.668
238 2HB ASN 30 1HB ASN 30 -16.132 7.457 -1.651
239 1HD2 ASN 30 1HD2 ASN 30 -16.686 5.901 0.866
240 2HD2 ASN 30 2HD2 ASN 30 -18.120 6.621 1.515
241 H THR 31 H THR 31 -14.134 6.964 -2.573
242 HA THR 31 HA THR 31 -13.675 5.550 -4.308
243 HB THR 31 HB THR 31 -13.120 3.389 -2.290
244 HG1 THR 31 HG1 THR 31 -11.926 4.983 -1.459
245 1HG2 THR 31 1HG2 THR 31 -12.980 2.775 -4.658
246 2HG2 THR 31 2HG2 THR 31 -11.380 2.777 -3.917
247 3HG2 THR 31 3HG2 THR 31 -11.875 4.120 -4.951
248 H ARG 32 H ARG 32 -15.667 5.211 -5.312
249 HA ARG 32 HA ARG 32 -17.681 3.591 -4.148
250 1HB ARG 32 2HB ARG 32 -18.833 3.693 -6.311
251 2HB ARG 32 1HB ARG 32 -18.315 5.274 -5.758
252 1HG ARG 32 2HG ARG 32 -16.610 5.395 -7.375
253 2HG ARG 32 1HG ARG 32 -16.741 3.675 -7.750
254 1HD ARG 32 2HD ARG 32 -18.912 3.990 -8.727
255 2HD ARG 32 1HD ARG 32 -18.957 5.670 -8.201
256 HE ARG 32 HE ARG 32 -17.385 6.217 -9.870
257 1HH1 ARG 32 1HH1 ARG 32 -18.348 2.850 -9.980
258 2HH1 ARG 32 2HH1 ARG 32 -17.849 2.626 -11.631
259 1HH2 ARG 32 1HH2 ARG 32 -16.763 5.941 -12.039
260 2HH2 ARG 32 2HH2 ARG 32 -16.951 4.387 -12.798
261 H ARG 33 H ARG 33 -17.478 1.569 -3.758
262 HA ARG 33 HA ARG 33 -17.286 -0.656 -4.001
263 1HB ARG 33 2HB ARG 33 -18.404 -0.125 -6.242
264 2HB ARG 33 1HB ARG 33 -16.801 -0.289 -6.946
265 1HG ARG 33 2HG ARG 33 -16.663 -2.574 -6.132
266 2HG ARG 33 1HG ARG 33 -18.257 -2.416 -5.389
267 1HD ARG 33 2HD ARG 33 -19.136 -1.869 -7.685
268 2HD ARG 33 1HD ARG 33 -17.562 -2.351 -8.315
269 HE ARG 33 HE ARG 33 -19.401 -4.144 -6.860
270 1HH1 ARG 33 1HH1 ARG 33 -16.929 -3.571 -9.258
271 2HH1 ARG 33 2HH1 ARG 33 -16.867 -5.221 -9.797
272 1HH2 ARG 33 1HH2 ARG 33 -19.364 -6.313 -7.578
273 2HH2 ARG 33 2HH2 ARG 33 -18.282 -6.787 -8.853
274 H TRP 34 H TRP 34 -15.432 -0.778 -2.810
275 HA TRP 34 HA TRP 34 -12.811 -0.431 -3.887
276 1HB TRP 34 2HB TRP 34 -13.855 -1.740 -1.376
277 2HB TRP 34 1HB TRP 34 -12.145 -1.753 -1.789
278 HD1 TRP 34 HD1 TRP 34 -14.954 0.851 -1.180
279 HE1 TRP 34 HE1 TRP 34 -13.881 2.935 -0.118
280 HE3 TRP 34 HE3 TRP 34 -10.061 -0.628 -1.283
281 HZ2 TRP 34 HZ2 TRP 34 -11.293 3.819 0.599
282 HZ3 TRP 34 HZ3 TRP 34 -8.354 0.892 -0.379
283 HH2 TRP 34 HH2 TRP 34 -8.961 3.067 0.537
284 H VAL 35 H VAL 35 -12.643 -1.681 -5.752
285 HA VAL 35 HA VAL 35 -13.084 -4.538 -5.584
286 HB VAL 35 HB VAL 35 -12.251 -4.623 -7.908
287 1HG1 VAL 35 1HG1 VAL 35 -14.615 -4.225 -7.494
288 2HG1 VAL 35 2HG1 VAL 35 -14.082 -3.349 -8.930
289 3HG1 VAL 35 3HG1 VAL 35 -14.323 -2.487 -7.411
290 1HG2 VAL 35 1HG2 VAL 35 -11.869 -1.646 -7.570
291 2HG2 VAL 35 2HG2 VAL 35 -11.790 -2.511 -9.106
292 3HG2 VAL 35 3HG2 VAL 35 -10.606 -2.846 -7.844
293 H ALA 36 H ALA 36 -11.307 -6.038 -6.280
294 HA ALA 36 HA ALA 36 -9.176 -5.987 -4.517
295 1HB ALA 36 1HB ALA 36 -9.302 -7.416 -7.171
296 2HB ALA 36 2HB ALA 36 -9.940 -8.019 -5.642
297 3HB ALA 36 3HB ALA 36 -8.204 -7.792 -5.844
298 H SER 37 H SER 37 -9.322 -4.853 -7.851
299 HA SER 37 HA SER 37 -6.617 -4.283 -8.232
300 1HB SER 37 2HB SER 37 -8.299 -4.324 -10.042
301 2HB SER 37 1HB SER 37 -9.019 -2.853 -9.394
302 HG SER 37 HG SER 37 -6.504 -3.216 -10.631
303 H ARG 38 H ARG 38 -9.180 -2.415 -6.682
304 HA ARG 38 HA ARG 38 -7.628 -0.028 -6.419
305 1HB ARG 38 2HB ARG 38 -10.127 -0.946 -4.992
306 2HB ARG 38 1HB ARG 38 -9.383 0.626 -4.741
307 1HG ARG 38 2HG ARG 38 -10.351 -0.337 -7.420
308 2HG ARG 38 1HG ARG 38 -11.343 0.585 -6.290
309 1HD ARG 38 2HD ARG 38 -10.429 2.117 -7.879
310 2HD ARG 38 1HD ARG 38 -9.617 2.374 -6.340
311 HE ARG 38 HE ARG 38 -7.918 0.708 -7.561
312 1HH1 ARG 38 1HH1 ARG 38 -9.494 3.612 -8.737
313 2HH1 ARG 38 2HH1 ARG 38 -8.213 4.011 -9.835
314 1HH2 ARG 38 1HH2 ARG 38 -6.228 1.253 -9.025
315 2HH2 ARG 38 2HH2 ARG 38 -6.369 2.687 -10.005
316 H LYS 39 H LYS 39 -8.461 -2.712 -4.268
317 HA LYS 39 HA LYS 39 -7.271 -1.754 -1.930
318 1HB LYS 39 2HB LYS 39 -7.628 -4.610 -2.862
319 2HB LYS 39 1HB LYS 39 -7.246 -4.130 -1.215
320 1HG LYS 39 2HG LYS 39 -9.368 -2.961 -1.034
321 2HG LYS 39 1HG LYS 39 -9.748 -3.358 -2.710
322 1HD LYS 39 2HD LYS 39 -9.714 -5.743 -2.158
323 2HD LYS 39 1HD LYS 39 -9.318 -5.355 -0.485
324 1HE LYS 39 2HE LYS 39 -11.835 -4.512 -1.922
325 2HE LYS 39 1HE LYS 39 -11.710 -5.871 -0.807
326 1HZ LYS 39 1HZ LYS 39 -11.106 -4.329 0.957
327 2HZ LYS 39 2HZ LYS 39 -12.608 -3.912 0.287
328 3HZ LYS 39 3HZ LYS 39 -11.225 -3.026 -0.117
329 H ILE 40 H ILE 40 -5.923 -3.950 -4.390
330 HA ILE 40 HA ILE 40 -3.381 -4.196 -3.202
331 HB ILE 40 HB ILE 40 -4.162 -4.522 -6.106
332 1HG1 ILE 40 2HG1 ILE 40 -3.886 -6.582 -3.902
333 2HG1 ILE 40 1HG1 ILE 40 -5.412 -5.980 -4.543
334 1HG2 ILE 40 1HG2 ILE 40 -1.766 -4.244 -5.894
335 2HG2 ILE 40 2HG2 ILE 40 -2.144 -5.923 -6.275
336 3HG2 ILE 40 3HG2 ILE 40 -1.713 -5.469 -4.628
337 1HD1 ILE 40 1HD1 ILE 40 -3.332 -7.529 -6.066
338 2HD1 ILE 40 2HD1 ILE 40 -4.842 -6.909 -6.734
339 3HD1 ILE 40 3HD1 ILE 40 -4.874 -8.147 -5.475
340 H ALA 41 H ALA 41 -4.724 -1.877 -5.476
341 HA ALA 41 HA ALA 41 -2.317 -0.607 -6.199
342 1HB ALA 41 1HB ALA 41 -3.705 1.240 -6.949
343 2HB ALA 41 2HB ALA 41 -5.078 0.593 -6.052
344 3HB ALA 41 3HB ALA 41 -4.423 -0.300 -7.423
345 H VAL 42 H VAL 42 -4.455 -0.229 -3.426
346 HA VAL 42 HA VAL 42 -3.395 2.224 -2.502
347 HB VAL 42 HB VAL 42 -4.591 0.059 -0.763
348 1HG1 VAL 42 1HG1 VAL 42 -3.460 1.844 0.462
349 2HG1 VAL 42 2HG1 VAL 42 -5.205 1.924 0.696
350 3HG1 VAL 42 3HG1 VAL 42 -4.412 3.050 -0.404
351 1HG2 VAL 42 1HG2 VAL 42 -6.114 0.552 -2.583
352 2HG2 VAL 42 2HG2 VAL 42 -5.977 2.278 -2.254
353 3HG2 VAL 42 3HG2 VAL 42 -6.731 1.213 -1.068
354 H VAL 43 H VAL 43 -2.761 -1.117 -1.364
355 HA VAL 43 HA VAL 43 -0.763 -0.396 0.459
356 HB VAL 43 HB VAL 43 0.075 -2.891 -0.194
357 1HG1 VAL 43 1HG1 VAL 43 -2.230 -2.056 1.550
358 2HG1 VAL 43 2HG1 VAL 43 -0.541 -2.241 2.013
359 3HG1 VAL 43 3HG1 VAL 43 -1.498 -3.658 1.588
360 1HG2 VAL 43 1HG2 VAL 43 -1.534 -3.155 -2.007
361 2HG2 VAL 43 2HG2 VAL 43 -2.860 -2.788 -0.901
362 3HG2 VAL 43 3HG2 VAL 43 -1.910 -4.256 -0.681
363 H ARG 44 H ARG 44 -0.449 -1.294 -2.956
364 HA ARG 44 HA ARG 44 2.398 -1.163 -2.976
365 1HB ARG 44 2HB ARG 44 0.353 -0.961 -5.184
366 2HB ARG 44 1HB ARG 44 2.086 -0.944 -5.474
367 1HG ARG 44 2HG ARG 44 2.293 -3.169 -4.532
368 2HG ARG 44 1HG ARG 44 0.569 -3.185 -4.152
369 1HD ARG 44 2HD ARG 44 0.007 -3.064 -6.497
370 2HD ARG 44 1HD ARG 44 1.708 -2.895 -6.929
371 HE ARG 44 HE ARG 44 1.392 -5.286 -5.506
372 1HH1 ARG 44 1HH1 ARG 44 0.407 -3.901 -8.565
373 2HH1 ARG 44 2HH1 ARG 44 0.418 -5.418 -9.406
374 1HH2 ARG 44 1HH2 ARG 44 1.376 -7.293 -6.603
375 2HH2 ARG 44 2HH2 ARG 44 0.947 -7.348 -8.295
376 H GLY 45 H GLY 45 -0.164 1.155 -3.679
377 1HA GLY 45 2HA GLY 45 1.523 3.157 -4.769
378 2HA GLY 45 1HA GLY 45 -0.134 3.371 -4.231
379 H VAL 46 H VAL 46 0.348 2.575 -1.470
380 HA VAL 46 HA VAL 46 1.471 5.107 -0.632
381 HB VAL 46 HB VAL 46 0.747 4.503 1.659
382 1HG1 VAL 46 1HG1 VAL 46 -1.653 4.646 1.228
383 2HG1 VAL 46 2HG1 VAL 46 -1.379 4.193 -0.454
384 3HG1 VAL 46 3HG1 VAL 46 -0.744 5.717 0.160
385 1HG2 VAL 46 1HG2 VAL 46 -0.317 1.997 0.354
386 2HG2 VAL 46 2HG2 VAL 46 -0.712 2.540 1.985
387 3HG2 VAL 46 3HG2 VAL 46 0.945 2.085 1.584
388 H ILE 47 H ILE 47 2.123 1.680 0.114
389 HA ILE 47 HA ILE 47 4.224 2.179 1.910
390 HB ILE 47 HB ILE 47 3.605 -0.301 0.300
391 1HG1 ILE 47 2HG1 ILE 47 2.986 0.425 3.172
392 2HG1 ILE 47 1HG1 ILE 47 1.822 0.406 1.850
393 1HG2 ILE 47 1HG2 ILE 47 5.443 0.002 2.670
394 2HG2 ILE 47 2HG2 ILE 47 5.931 -0.335 1.009
395 3HG2 ILE 47 3HG2 ILE 47 4.984 -1.521 1.908
396 1HD1 ILE 47 1HD1 ILE 47 3.335 -1.982 2.882
397 2HD1 ILE 47 2HD1 ILE 47 2.123 -1.989 1.600
398 3HD1 ILE 47 3HD1 ILE 47 1.656 -1.584 3.253
399 H TYR 48 H TYR 48 4.296 1.277 -1.533
400 HA TYR 48 HA TYR 48 7.208 1.604 -1.515
401 1HB TYR 48 2HB TYR 48 6.197 -0.456 -2.503
402 2HB TYR 48 1HB TYR 48 5.398 0.551 -3.704
403 HD1 TYR 48 HD1 TYR 48 6.416 0.873 -5.735
404 HD2 TYR 48 HD2 TYR 48 8.815 -0.200 -2.397
405 HE1 TYR 48 HE1 TYR 48 8.374 0.701 -7.212
406 HE2 TYR 48 HE2 TYR 48 10.785 -0.374 -3.858
407 HH TYR 48 HH TYR 48 10.811 0.810 -7.059
408 H GLY 49 H GLY 49 4.494 3.409 -2.075
409 1HA GLY 49 2HA GLY 49 5.622 4.828 -4.373
410 2HA GLY 49 1HA GLY 49 3.945 4.887 -3.865
411 H LEU 50 H LEU 50 3.637 5.921 -1.606
412 HA LEU 50 HA LEU 50 5.007 8.497 -1.975
413 1HB LEU 50 2HB LEU 50 2.199 7.817 -1.187
414 2HB LEU 50 1HB LEU 50 2.877 9.384 -0.803
415 HG LEU 50 HG LEU 50 3.333 9.674 -3.278
416 1HD1 LEU 50 1HD1 LEU 50 2.047 8.307 -4.827
417 2HD1 LEU 50 2HD1 LEU 50 1.492 7.296 -3.493
418 3HD1 LEU 50 3HD1 LEU 50 3.201 7.321 -3.929
419 1HD2 LEU 50 1HD2 LEU 50 1.492 10.789 -2.169
420 2HD2 LEU 50 2HD2 LEU 50 0.480 9.357 -2.358
421 3HD2 LEU 50 3HD2 LEU 50 1.001 10.265 -3.778
422 H ILE 51 H ILE 51 3.148 7.056 0.721
423 HA ILE 51 HA ILE 51 5.055 8.416 2.506
424 HB ILE 51 HB ILE 51 3.272 9.071 3.974
425 1HG1 ILE 51 2HG1 ILE 51 1.788 7.092 3.560
426 2HG1 ILE 51 1HG1 ILE 51 0.936 8.627 3.610
427 1HG2 ILE 51 1HG2 ILE 51 3.765 10.617 2.201
428 2HG2 ILE 51 2HG2 ILE 51 2.035 10.645 2.535
429 3HG2 ILE 51 3HG2 ILE 51 2.647 9.790 1.119
430 1HD1 ILE 51 1HD1 ILE 51 0.096 7.151 1.863
431 2HD1 ILE 51 2HD1 ILE 51 1.692 7.133 1.111
432 3HD1 ILE 51 3HD1 ILE 51 0.772 8.637 1.193
433 H THR 52 H THR 52 4.444 7.680 4.902
434 HA THR 52 HA THR 52 5.024 4.872 5.000
435 HB THR 52 HB THR 52 5.130 5.161 7.421
436 HG1 THR 52 HG1 THR 52 4.599 7.912 7.266
437 1HG2 THR 52 1HG2 THR 52 6.429 7.470 5.968
438 2HG2 THR 52 2HG2 THR 52 7.085 5.838 6.108
439 3HG2 THR 52 3HG2 THR 52 6.908 6.843 7.546
440 H LEU 53 H LEU 53 3.795 3.463 6.575
441 HA LEU 53 HA LEU 53 1.068 3.322 5.826
442 1HB LEU 53 2HB LEU 53 2.239 1.296 6.400
443 2HB LEU 53 1HB LEU 53 2.634 1.913 7.992
444 HG LEU 53 HG LEU 53 0.268 1.827 8.628
445 1HD1 LEU 53 1HD1 LEU 53 -0.694 2.220 6.412
446 2HD1 LEU 53 2HD1 LEU 53 -1.378 0.787 7.177
447 3HD1 LEU 53 3HD1 LEU 53 -0.171 0.615 5.902
448 1HD2 LEU 53 1HD2 LEU 53 0.035 -0.620 8.657
449 2HD2 LEU 53 2HD2 LEU 53 1.665 -0.101 9.081
450 3HD2 LEU 53 3HD2 LEU 53 1.335 -0.748 7.474
451 H ALA 54 H ALA 54 2.774 4.613 8.613
452 HA ALA 54 HA ALA 54 0.580 5.022 10.314
453 1HB ALA 54 1HB ALA 54 3.099 6.673 10.101
454 2HB ALA 54 2HB ALA 54 2.910 5.203 11.057
455 3HB ALA 54 3HB ALA 54 1.984 6.646 11.467
456 H GLU 55 H GLU 55 1.959 7.024 7.753
457 HA GLU 55 HA GLU 55 0.326 9.296 8.125
458 1HB GLU 55 2HB GLU 55 2.457 9.029 6.726
459 2HB GLU 55 1HB GLU 55 1.420 8.339 5.486
460 1HG GLU 55 2HG GLU 55 1.767 10.622 4.966
461 2HG GLU 55 1HG GLU 55 0.100 10.443 5.514
462 H ALA 56 H ALA 56 0.038 6.460 6.020
463 HA ALA 56 HA ALA 56 -2.522 7.208 4.943
464 1HB ALA 56 1HB ALA 56 -2.503 5.005 3.918
465 2HB ALA 56 2HB ALA 56 -1.133 4.525 4.921
466 3HB ALA 56 3HB ALA 56 -0.939 5.790 3.706
467 H LYS 57 H LYS 57 -1.653 6.100 7.969
468 HA LYS 57 HA LYS 57 -4.225 4.784 8.372
469 1HB LYS 57 2HB LYS 57 -1.807 5.162 10.115
470 2HB LYS 57 1HB LYS 57 -3.349 4.663 10.803
471 1HG LYS 57 2HG LYS 57 -3.384 2.686 9.457
472 2HG LYS 57 1HG LYS 57 -1.961 3.217 8.560
473 1HD LYS 57 2HD LYS 57 -1.365 1.520 10.197
474 2HD LYS 57 1HD LYS 57 -0.619 3.065 10.599
475 1HE LYS 57 2HE LYS 57 -2.219 3.466 12.329
476 2HE LYS 57 1HE LYS 57 -3.184 2.075 11.832
477 1HZ LYS 57 1HZ LYS 57 -1.758 1.670 13.807
478 2HZ LYS 57 2HZ LYS 57 -0.389 1.876 12.826
479 3HZ LYS 57 3HZ LYS 57 -1.467 0.603 12.522
480 H GLN 58 H GLN 58 -2.504 7.727 9.205
481 HA GLN 58 HA GLN 58 -4.386 8.881 10.925
482 1HB GLN 58 2HB GLN 58 -2.558 10.238 8.935
483 2HB GLN 58 1HB GLN 58 -3.381 11.038 10.268
484 1HG GLN 58 2HG GLN 58 -2.124 9.743 11.869
485 2HG GLN 58 1HG GLN 58 -1.357 8.833 10.569
486 1HE2 GLN 58 1HE2 GLN 58 0.691 9.435 11.149
487 2HE2 GLN 58 2HE2 GLN 58 1.303 11.033 10.924
488 H THR 59 H THR 59 -4.128 8.931 7.403
489 HA THR 59 HA THR 59 -6.675 10.369 7.251
490 HB THR 59 HB THR 59 -4.874 9.634 4.944
491 HG1 THR 59 HG1 THR 59 -4.761 11.804 6.778
492 1HG2 THR 59 1HG2 THR 59 -7.184 10.317 4.398
493 2HG2 THR 59 2HG2 THR 59 -5.991 11.487 3.827
494 3HG2 THR 59 3HG2 THR 59 -6.930 11.821 5.280
495 H TYR 60 H TYR 60 -5.153 7.382 6.009
496 HA TYR 60 HA TYR 60 -7.749 6.605 4.934
497 1HB TYR 60 2HB TYR 60 -5.028 5.678 4.041
498 2HB TYR 60 1HB TYR 60 -6.563 5.214 3.324
499 HD1 TYR 60 HD1 TYR 60 -3.887 7.559 3.240
500 HD2 TYR 60 HD2 TYR 60 -8.014 7.091 2.326
501 HE1 TYR 60 HE1 TYR 60 -3.764 9.490 1.722
502 HE2 TYR 60 HE2 TYR 60 -7.904 9.017 0.801
503 HH TYR 60 HH TYR 60 -6.509 11.039 0.486
504 H GLY 61 H GLY 61 -6.608 6.137 7.685
505 1HA GLY 61 2HA GLY 61 -5.399 3.861 8.303
506 2HA GLY 61 1HA GLY 61 -6.728 4.464 9.262
507 H LEU 62 H LEU 62 -8.754 3.870 7.231
508 HA LEU 62 HA LEU 62 -10.201 2.159 6.720
509 1HB LEU 62 2HB LEU 62 -7.679 0.497 6.548
510 2HB LEU 62 1HB LEU 62 -9.233 0.092 5.852
511 HG LEU 62 HG LEU 62 -8.062 2.647 4.952
512 1HD1 LEU 62 1HD1 LEU 62 -6.874 -0.017 4.196
513 2HD1 LEU 62 2HD1 LEU 62 -6.061 1.289 5.062
514 3HD1 LEU 62 3HD1 LEU 62 -6.551 1.514 3.383
515 1HD2 LEU 62 1HD2 LEU 62 -8.905 1.882 2.813
516 2HD2 LEU 62 2HD2 LEU 62 -10.154 1.749 4.051
517 3HD2 LEU 62 3HD2 LEU 62 -9.292 0.306 3.509
518 H SER 63 H SER 63 -9.744 -0.655 7.280
519 HA SER 63 HA SER 63 -9.874 -0.685 10.213
520 1HB SER 63 2HB SER 63 -10.989 -2.711 8.250
521 2HB SER 63 1HB SER 63 -11.180 -2.744 10.001
522 HG SER 63 HG SER 63 -12.687 -1.498 8.190
523 H ASP 64 H ASP 64 -8.685 -2.311 11.317
524 HA ASP 64 HA ASP 64 -6.124 -2.851 10.397
525 1HB ASP 64 2HB ASP 64 -7.738 -4.391 12.447
526 2HB ASP 64 1HB ASP 64 -6.003 -4.559 12.212
527 H GLU 65 H GLU 65 -8.934 -5.013 10.478
528 HA GLU 65 HA GLU 65 -7.686 -7.281 9.408
529 1HB GLU 65 2HB GLU 65 -10.578 -6.437 9.198
530 2HB GLU 65 1HB GLU 65 -9.966 -8.060 8.913
531 1HG GLU 65 2HG GLU 65 -9.411 -8.361 11.170
532 2HG GLU 65 1HG GLU 65 -9.591 -6.644 11.527
533 H GLU 66 H GLU 66 -9.313 -4.584 7.838
534 HA GLU 66 HA GLU 66 -9.426 -5.645 5.244
535 1HB GLU 66 2HB GLU 66 -10.692 -3.653 5.928
536 2HB GLU 66 1HB GLU 66 -9.190 -2.751 6.093
537 1HG GLU 66 2HG GLU 66 -10.053 -2.098 4.025
538 2HG GLU 66 1HG GLU 66 -8.792 -3.272 3.643
539 H PHE 67 H PHE 67 -7.038 -3.420 6.690
540 HA PHE 67 HA PHE 67 -5.362 -3.372 4.427
541 1HB PHE 67 2HB PHE 67 -5.307 -1.684 6.278
542 2HB PHE 67 1HB PHE 67 -4.536 -2.894 7.300
543 HD1 PHE 67 HD1 PHE 67 -2.226 -3.439 7.047
544 HD2 PHE 67 HD2 PHE 67 -4.132 -0.768 4.335
545 HE1 PHE 67 HE1 PHE 67 -0.030 -2.789 6.153
546 HE2 PHE 67 HE2 PHE 67 -1.938 -0.120 3.431
547 HZ PHE 67 HZ PHE 67 0.116 -1.130 4.338
548 H ASN 68 H ASN 68 -5.485 -5.421 7.285
549 HA ASN 68 HA ASN 68 -3.098 -6.852 6.942
550 1HB ASN 68 2HB ASN 68 -5.716 -7.461 8.264
551 2HB ASN 68 1HB ASN 68 -4.541 -8.754 8.063
552 1HD2 ASN 68 1HD2 ASN 68 -3.609 -5.423 8.606
553 2HD2 ASN 68 2HD2 ASN 68 -2.999 -5.665 10.203
554 H SER 69 H SER 69 -6.313 -7.355 5.558
555 HA SER 69 HA SER 69 -5.804 -9.899 4.487
556 1HB SER 69 2HB SER 69 -7.857 -9.633 3.256
557 2HB SER 69 1HB SER 69 -8.072 -8.864 4.827
558 HG SER 69 HG SER 69 -7.503 -6.854 3.716
559 H TRP 70 H TRP 70 -5.265 -6.657 3.178
560 HA TRP 70 HA TRP 70 -4.888 -7.434 0.491
561 1HB TRP 70 2HB TRP 70 -3.648 -5.064 1.907
562 2HB TRP 70 1HB TRP 70 -3.854 -5.252 0.172
563 HD1 TRP 70 HD1 TRP 70 -7.007 -6.469 1.208
564 HE1 TRP 70 HE1 TRP 70 -8.796 -4.628 1.409
565 HE3 TRP 70 HE3 TRP 70 -3.953 -2.372 1.248
566 HZ2 TRP 70 HZ2 TRP 70 -8.894 -1.811 1.523
567 HZ3 TRP 70 HZ3 TRP 70 -4.973 -0.140 1.395
568 HH2 TRP 70 HH2 TRP 70 -7.393 0.132 1.529
569 H VAL 71 H VAL 71 -2.524 -6.712 3.045
570 HA VAL 71 HA VAL 71 -0.269 -7.314 1.449
571 HB VAL 71 HB VAL 71 -0.391 -7.387 4.455
572 1HG1 VAL 71 1HG1 VAL 71 1.652 -8.313 3.541
573 2HG1 VAL 71 2HG1 VAL 71 1.979 -6.760 4.307
574 3HG1 VAL 71 3HG1 VAL 71 1.885 -6.872 2.550
575 1HG2 VAL 71 1HG2 VAL 71 0.245 -5.020 4.402
576 2HG2 VAL 71 2HG2 VAL 71 -1.333 -5.285 3.660
577 3HG2 VAL 71 3HG2 VAL 71 0.085 -5.021 2.646
578 H SER 72 H SER 72 -2.192 -9.254 3.698
579 HA SER 72 HA SER 72 -0.406 -11.449 3.783
580 1HB SER 72 2HB SER 72 -3.385 -11.401 4.297
581 2HB SER 72 1HB SER 72 -2.269 -12.676 4.788
582 HG SER 72 HG SER 72 -2.606 -10.094 5.811
583 H ALA 73 H ALA 73 -2.991 -10.552 1.585
584 HA ALA 73 HA ALA 73 -3.070 -13.097 0.251
585 1HB ALA 73 1HB ALA 73 -4.069 -10.405 -0.684
586 2HB ALA 73 2HB ALA 73 -5.002 -11.579 0.247
587 3HB ALA 73 3HB ALA 73 -4.476 -11.968 -1.391
588 H LEU 74 H LEU 74 -1.407 -10.061 -0.134
589 HA LEU 74 HA LEU 74 -0.230 -10.690 -2.671
590 1HB LEU 74 2HB LEU 74 0.417 -8.577 -0.606
591 2HB LEU 74 1HB LEU 74 1.148 -8.663 -2.203
592 HG LEU 74 HG LEU 74 -1.793 -8.255 -1.661
593 1HD1 LEU 74 1HD1 LEU 74 0.328 -6.315 -2.558
594 2HD1 LEU 74 2HD1 LEU 74 -0.489 -6.325 -0.994
595 3HD1 LEU 74 3HD1 LEU 74 -1.402 -5.980 -2.464
596 1HD2 LEU 74 1HD2 LEU 74 -1.343 -9.433 -3.763
597 2HD2 LEU 74 2HD2 LEU 74 -0.239 -8.143 -4.244
598 3HD2 LEU 74 3HD2 LEU 74 -1.960 -7.805 -4.045
599 H ALA 75 H ALA 75 0.496 -11.305 0.625
600 HA ALA 75 HA ALA 75 3.306 -11.699 0.340
601 1HB ALA 75 1HB ALA 75 3.190 -12.626 2.600
602 2HB ALA 75 2HB ALA 75 1.429 -12.637 2.506
603 3HB ALA 75 3HB ALA 75 2.303 -11.106 2.485
604 H GLU 76 H GLU 76 0.505 -13.642 -0.188
605 HA GLU 76 HA GLU 76 0.187 -15.720 -1.039
606 1HB GLU 76 2HB GLU 76 2.157 -15.246 -2.474
607 2HB GLU 76 1HB GLU 76 3.203 -15.893 -1.220
608 1HG GLU 76 2HG GLU 76 1.035 -17.627 -2.279
609 2HG GLU 76 1HG GLU 76 2.449 -17.334 -3.287
610 H HIS 77 H HIS 77 2.800 -15.494 1.308
611 HA HIS 77 HA HIS 77 1.547 -17.678 2.815
612 1HB HIS 77 2HB HIS 77 3.979 -18.208 3.577
613 2HB HIS 77 1HB HIS 77 3.428 -18.796 2.014
614 HD1 HIS 77 HD1 HIS 77 4.779 -18.153 0.017
615 HD2 HIS 77 HD2 HIS 77 5.692 -15.848 3.356
616 HE1 HIS 77 HE1 HIS 77 6.812 -16.819 -0.612
617 HE2 HIS 77 HE2 HIS 77 7.205 -15.272 1.333
618 H GLY 78 H GLY 78 0.857 -16.970 4.699
619 1HA GLY 78 2HA GLY 78 1.651 -14.434 5.763
620 2HA GLY 78 1HA GLY 78 0.568 -15.590 6.524
621 H LYS 79 H LYS 79 2.970 -17.517 5.995
622 HA LYS 79 HA LYS 79 4.088 -17.519 8.567
623 1HB LYS 79 2HB LYS 79 5.030 -18.722 5.964
624 2HB LYS 79 1HB LYS 79 5.851 -18.996 7.492
625 1HG LYS 79 2HG LYS 79 3.975 -20.141 8.389
626 2HG LYS 79 1HG LYS 79 2.960 -19.664 7.027
627 1HD LYS 79 2HD LYS 79 3.649 -21.986 6.799
628 2HD LYS 79 1HD LYS 79 4.352 -21.003 5.519
629 1HE LYS 79 2HE LYS 79 5.874 -21.636 8.030
630 2HE LYS 79 1HE LYS 79 5.838 -22.752 6.668
631 1HZ LYS 79 1HZ LYS 79 6.904 -19.979 6.691
632 2HZ LYS 79 2HZ LYS 79 6.680 -20.877 5.273
633 3HZ LYS 79 3HZ LYS 79 7.771 -21.416 6.452
634 H ASP 80 H ASP 80 5.810 -16.899 5.548
635 HA ASP 80 HA ASP 80 7.928 -15.540 6.962
636 1HB ASP 80 2HB ASP 80 7.612 -16.056 4.000
637 2HB ASP 80 1HB ASP 80 9.086 -15.563 4.824
638 H ALA 81 H ALA 81 6.013 -13.939 7.469
639 HA ALA 81 HA ALA 81 5.245 -12.079 5.485
640 1HB ALA 81 1HB ALA 81 5.321 -11.676 8.470
641 2HB ALA 81 2HB ALA 81 4.015 -12.470 7.587
642 3HB ALA 81 3HB ALA 81 4.366 -10.764 7.301
643 H LEU 82 H LEU 82 8.096 -12.390 7.406
644 HA LEU 82 HA LEU 82 8.961 -9.650 6.932
645 1HB LEU 82 2HB LEU 82 9.475 -10.787 9.065
646 2HB LEU 82 1HB LEU 82 10.422 -11.976 8.196
647 HG LEU 82 HG LEU 82 11.951 -10.139 7.462
648 1HD1 LEU 82 1HD1 LEU 82 10.345 -8.503 9.421
649 2HD1 LEU 82 2HD1 LEU 82 10.418 -8.270 7.674
650 3HD1 LEU 82 3HD1 LEU 82 11.858 -8.006 8.659
651 1HD2 LEU 82 1HD2 LEU 82 12.542 -11.556 9.325
652 2HD2 LEU 82 2HD2 LEU 82 11.610 -10.546 10.429
653 3HD2 LEU 82 3HD2 LEU 82 13.055 -9.900 9.650
654 H LYS 83 H LYS 83 8.874 -12.470 5.220
655 HA LYS 83 HA LYS 83 11.371 -11.975 3.768
656 1HB LYS 83 2HB LYS 83 10.884 -14.264 4.610
657 2HB LYS 83 1HB LYS 83 9.450 -14.305 3.601
658 1HG LYS 83 2HG LYS 83 10.798 -14.242 1.605
659 2HG LYS 83 1HG LYS 83 12.266 -14.048 2.569
660 1HD LYS 83 2HD LYS 83 10.406 -16.418 2.749
661 2HD LYS 83 1HD LYS 83 11.885 -16.382 1.786
662 1HE LYS 83 2HE LYS 83 13.250 -16.187 3.705
663 2HE LYS 83 1HE LYS 83 11.875 -15.789 4.735
664 1HZ LYS 83 1HZ LYS 83 12.765 -18.115 4.932
665 2HZ LYS 83 2HZ LYS 83 12.147 -18.416 3.382
666 3HZ LYS 83 3HZ LYS 83 11.098 -17.993 4.646
667 H VAL 84 H VAL 84 8.280 -10.986 3.716
668 HA VAL 84 HA VAL 84 7.798 -11.094 0.866
669 HB VAL 84 HB VAL 84 6.346 -9.482 2.973
670 1HG1 VAL 84 1HG1 VAL 84 5.524 -10.304 0.186
671 2HG1 VAL 84 2HG1 VAL 84 5.961 -8.677 0.708
672 3HG1 VAL 84 3HG1 VAL 84 4.510 -9.446 1.347
673 1HG2 VAL 84 1HG2 VAL 84 6.269 -11.835 3.537
674 2HG2 VAL 84 2HG2 VAL 84 5.745 -12.237 1.900
675 3HG2 VAL 84 3HG2 VAL 84 4.689 -11.301 2.959
676 H THR 85 H THR 85 8.533 -9.644 -0.556
677 HA THR 85 HA THR 85 10.540 -7.868 0.022
678 HB THR 85 HB THR 85 9.923 -6.835 -2.260
679 HG1 THR 85 HG1 THR 85 8.512 -8.717 -3.278
680 1HG2 THR 85 1HG2 THR 85 10.785 -8.804 -3.445
681 2HG2 THR 85 2HG2 THR 85 10.450 -9.805 -2.032
682 3HG2 THR 85 3HG2 THR 85 11.667 -8.532 -1.942
683 H ALA 86 H ALA 86 7.096 -7.080 -0.419
684 HA ALA 86 HA ALA 86 7.360 -4.286 -0.266
685 1HB ALA 86 1HB ALA 86 4.975 -5.955 0.518
686 2HB ALA 86 2HB ALA 86 5.363 -5.439 -1.125
687 3HB ALA 86 3HB ALA 86 4.968 -4.240 0.109
688 H LEU 87 H LEU 87 7.055 -6.716 2.243
689 HA LEU 87 HA LEU 87 6.563 -4.709 4.287
690 1HB LEU 87 2HB LEU 87 5.369 -6.930 4.229
691 2HB LEU 87 1HB LEU 87 6.897 -7.693 4.618
692 HG LEU 87 HG LEU 87 5.264 -7.347 6.536
693 1HD1 LEU 87 1HD1 LEU 87 7.007 -6.755 8.134
694 2HD1 LEU 87 2HD1 LEU 87 8.022 -6.161 6.816
695 3HD1 LEU 87 3HD1 LEU 87 7.610 -7.876 6.913
696 1HD2 LEU 87 1HD2 LEU 87 4.525 -5.102 5.995
697 2HD2 LEU 87 2HD2 LEU 87 6.163 -4.485 6.206
698 3HD2 LEU 87 3HD2 LEU 87 5.278 -5.126 7.591
699 H LYS 88 H LYS 88 8.997 -7.037 3.294
700 HA LYS 88 HA LYS 88 10.905 -6.567 5.277
701 1HB LYS 88 2HB LYS 88 11.080 -8.399 3.650
702 2HB LYS 88 1HB LYS 88 11.321 -7.236 2.356
703 1HG LYS 88 2HG LYS 88 13.417 -6.517 3.390
704 2HG LYS 88 1HG LYS 88 13.179 -7.698 4.681
705 1HD LYS 88 2HD LYS 88 13.256 -9.511 3.050
706 2HD LYS 88 1HD LYS 88 13.439 -8.342 1.741
707 1HE LYS 88 2HE LYS 88 15.590 -9.289 2.298
708 2HE LYS 88 1HE LYS 88 15.557 -7.587 2.749
709 1HZ LYS 88 1HZ LYS 88 16.582 -8.955 4.456
710 2HZ LYS 88 2HZ LYS 88 15.156 -9.867 4.612
711 3HZ LYS 88 3HZ LYS 88 15.165 -8.226 5.040
712 H LYS 89 H LYS 89 10.149 -4.832 2.292
713 HA LYS 89 HA LYS 89 12.291 -2.982 2.458
714 1HB LYS 89 2HB LYS 89 9.641 -2.955 1.060
715 2HB LYS 89 1HB LYS 89 10.623 -1.498 1.107
716 1HG LYS 89 2HG LYS 89 12.479 -2.772 0.071
717 2HG LYS 89 1HG LYS 89 11.397 -4.162 -0.064
718 1HD LYS 89 2HD LYS 89 9.938 -2.977 -1.535
719 2HD LYS 89 1HD LYS 89 10.794 -1.459 -1.251
720 1HE LYS 89 2HE LYS 89 11.427 -2.360 -3.401
721 2HE LYS 89 1HE LYS 89 12.801 -2.422 -2.300
722 1HZ LYS 89 1HZ LYS 89 12.386 -4.768 -1.944
723 2HZ LYS 89 2HZ LYS 89 12.581 -4.454 -3.597
724 3HZ LYS 89 3HZ LYS 89 11.029 -4.715 -2.964
725 H TYR 90 H TYR 90 8.910 -2.766 3.562
726 HA TYR 90 HA TYR 90 9.128 -0.177 4.621
727 1HB TYR 90 2HB TYR 90 6.994 -1.493 4.217
728 2HB TYR 90 1HB TYR 90 7.337 -2.349 5.715
729 HD1 TYR 90 HD1 TYR 90 6.670 1.010 4.304
730 HD2 TYR 90 HD2 TYR 90 6.768 -1.404 7.806
731 HE1 TYR 90 HE1 TYR 90 5.578 2.810 5.569
732 HE2 TYR 90 HE2 TYR 90 5.670 0.389 9.080
733 HH TYR 90 HH TYR 90 5.382 2.808 8.968
734 H ARG 91 H ARG 91 9.625 -3.346 6.116
735 HA ARG 91 HA ARG 91 10.064 -2.390 8.743
736 1HB ARG 91 2HB ARG 91 9.452 -4.712 8.281
737 2HB ARG 91 1HB ARG 91 10.968 -4.957 7.424
738 1HG ARG 91 2HG ARG 91 11.153 -5.933 9.595
739 2HG ARG 91 1HG ARG 91 12.177 -4.499 9.539
740 1HD ARG 91 2HD ARG 91 11.054 -4.446 11.624
741 2HD ARG 91 1HD ARG 91 10.282 -3.234 10.602
742 HE ARG 91 HE ARG 91 8.675 -5.294 10.185
743 1HH1 ARG 91 1HH1 ARG 91 10.090 -4.200 13.189
744 2HH1 ARG 91 2HH1 ARG 91 8.730 -4.688 14.158
745 1HH2 ARG 91 1HH2 ARG 91 6.906 -5.982 11.459
746 2HH2 ARG 91 2HH2 ARG 91 6.935 -5.709 13.175
747 H GLN 92 H GLN 92 12.234 -3.022 6.028
748 HA GLN 92 HA GLN 92 14.601 -2.617 7.622
749 1HB GLN 92 2HB GLN 92 14.458 -4.145 5.616
750 2HB GLN 92 1HB GLN 92 14.410 -2.705 4.611
751 1HG GLN 92 2HG GLN 92 16.642 -3.496 4.626
752 2HG GLN 92 1HG GLN 92 16.594 -2.029 5.604
753 1HE2 GLN 92 1HE2 GLN 92 18.422 -2.562 6.774
754 2HE2 GLN 92 2HE2 GLN 92 18.441 -3.835 7.943
755 H LEU 93 H LEU 93 12.624 -0.724 5.431
756 HA LEU 93 HA LEU 93 14.446 1.368 4.954
757 1HB LEU 93 2HB LEU 93 12.475 0.997 3.582
758 2HB LEU 93 1HB LEU 93 11.429 1.377 4.931
759 HG LEU 93 HG LEU 93 12.351 3.697 4.921
760 1HD1 LEU 93 1HD1 LEU 93 14.493 3.187 3.869
761 2HD1 LEU 93 2HD1 LEU 93 13.621 4.451 2.995
762 3HD1 LEU 93 3HD1 LEU 93 13.660 2.803 2.361
763 1HD2 LEU 93 1HD2 LEU 93 10.246 3.219 3.820
764 2HD2 LEU 93 2HD2 LEU 93 11.097 2.735 2.354
765 3HD2 LEU 93 3HD2 LEU 93 11.157 4.411 2.895
766 H LEU 94 H LEU 94 12.293 0.718 7.622
767 HA LEU 94 HA LEU 94 12.416 3.260 8.842
768 1HB LEU 94 2HB LEU 94 11.698 0.525 9.710
769 2HB LEU 94 1HB LEU 94 12.191 1.626 10.981
770 HG LEU 94 HG LEU 94 10.419 3.184 10.352
771 1HD1 LEU 94 1HD1 LEU 94 10.340 2.691 7.953
772 2HD1 LEU 94 2HD1 LEU 94 8.743 2.598 8.695
773 3HD1 LEU 94 3HD1 LEU 94 9.623 1.118 8.305
774 1HD2 LEU 94 1HD2 LEU 94 9.481 0.353 10.753
775 2HD2 LEU 94 2HD2 LEU 94 8.500 1.796 11.001
776 3HD2 LEU 94 3HD2 LEU 94 9.918 1.510 12.010
777 H GLU 95 H GLU 95 14.468 0.416 9.025
778 HA GLU 95 HA GLU 95 16.659 0.135 9.494
779 1HB GLU 95 2HB GLU 95 17.038 2.181 8.216
780 2HB GLU 95 1HB GLU 95 16.746 3.150 9.652
781 1HG GLU 95 2HG GLU 95 19.102 3.012 9.266
782 2HG GLU 95 1HG GLU 95 18.705 2.096 10.719
783 H HIS 96 H HIS 96 15.134 2.536 11.596
784 HA HIS 96 HA HIS 96 16.785 2.509 13.775
785 1HB HIS 96 2HB HIS 96 13.792 2.776 13.599
786 2HB HIS 96 1HB HIS 96 14.635 2.899 15.137
787 HD1 HIS 96 HD1 HIS 96 15.565 5.146 15.725
788 HD2 HIS 96 HD2 HIS 96 14.629 4.816 11.686
789 HE1 HIS 96 HE1 HIS 96 15.902 7.443 14.758
790 HE2 HIS 96 HE2 HIS 96 15.480 7.176 12.285
791 H HIS 97 H HIS 97 17.624 0.873 14.799
792 HA HIS 97 HA HIS 97 16.595 -1.719 15.025
793 1HB HIS 97 2HB HIS 97 18.975 -1.033 15.420
794 2HB HIS 97 1HB HIS 97 18.472 -0.293 16.934
795 HD1 HIS 97 HD1 HIS 97 19.898 -1.814 18.390
796 HD2 HIS 97 HD2 HIS 97 17.247 -3.877 15.943
797 HE1 HIS 97 HE1 HIS 97 19.935 -4.195 19.204
798 HE2 HIS 97 HE2 HIS 97 18.494 -5.461 17.561
799 H HIS 98 H HIS 98 15.053 -2.580 16.321
800 HA HIS 98 HA HIS 98 13.383 -0.780 17.745
801 1HB HIS 98 2HB HIS 98 13.290 -3.617 17.011
802 2HB HIS 98 1HB HIS 98 12.459 -3.221 18.515
803 HD1 HIS 98 HD1 HIS 98 10.050 -3.031 17.967
804 HD2 HIS 98 HD2 HIS 98 12.447 -1.221 15.090
805 HE1 HIS 98 HE1 HIS 98 8.462 -1.952 16.346
806 HE2 HIS 98 HE2 HIS 98 9.946 -0.608 14.814
807 H HIS 99 H HIS 99 14.639 0.130 19.250
808 HA HIS 99 HA HIS 99 14.350 -0.943 21.846
809 1HB HIS 99 2HB HIS 99 16.544 -2.036 20.844
810 2HB HIS 99 1HB HIS 99 17.240 -0.449 21.159
811 HD1 HIS 99 HD1 HIS 99 18.505 -2.622 22.689
812 HD2 HIS 99 HD2 HIS 99 15.062 -0.726 24.055
813 HE1 HIS 99 HE1 HIS 99 18.433 -3.039 25.165
814 HE2 HIS 99 HE2 HIS 99 16.235 -2.073 25.928
815 H HIS 100 H HIS 100 13.454 1.195 20.418
816 HA HIS 100 HA HIS 100 14.923 3.521 20.228
817 1HB HIS 100 2HB HIS 100 12.577 2.969 19.366
818 2HB HIS 100 1HB HIS 100 11.997 3.453 20.955
819 HD1 HIS 100 HD1 HIS 100 12.043 4.763 17.784
820 HD2 HIS 100 HD2 HIS 100 13.353 6.281 21.431
821 HE1 HIS 100 HE1 HIS 100 12.066 7.268 17.513
822 HE2 HIS 100 HE2 HIS 100 12.899 8.167 19.720
823 H HIS 101 H HIS 101 13.093 2.307 22.991
824 HA HIS 101 HA HIS 101 14.348 4.395 24.632
825 1HB HIS 101 2HB HIS 101 11.862 4.719 24.245
826 2HB HIS 101 1HB HIS 101 11.606 3.225 25.142
827 HD1 HIS 101 HD1 HIS 101 11.480 3.407 27.623
828 HD2 HIS 101 HD2 HIS 101 13.067 6.821 25.854
829 HE1 HIS 101 HE1 HIS 101 11.689 5.103 29.476
830 HE2 HIS 101 HE2 HIS 101 12.481 7.211 28.340
Start of MODEL 13
1 1H MET 1 1H MET 1 -2.693 19.600 -14.708
2 2H MET 1 2H MET 1 -4.260 20.024 -15.195
3 3H MET 1 3H MET 1 -3.068 19.707 -16.356
4 HA MET 1 HA MET 1 -2.969 17.426 -15.770
5 1HB MET 1 2HB MET 1 -4.934 18.209 -13.608
6 2HB MET 1 1HB MET 1 -4.655 16.545 -14.097
7 1HG MET 1 2HG MET 1 -3.392 17.008 -12.122
8 2HG MET 1 1HG MET 1 -2.282 16.792 -13.474
9 1HE MET 1 1HE MET 1 -1.497 18.128 -10.646
10 2HE MET 1 2HE MET 1 -0.481 19.453 -11.215
11 3HE MET 1 3HE MET 1 -0.362 17.864 -11.969
12 H MET 2 H MET 2 -3.883 16.456 -17.409
13 HA MET 2 HA MET 2 -6.664 16.237 -17.822
14 1HB MET 2 2HB MET 2 -6.406 18.598 -18.562
15 2HB MET 2 1HB MET 2 -5.236 18.074 -19.764
16 1HG MET 2 2HG MET 2 -6.936 16.778 -20.896
17 2HG MET 2 1HG MET 2 -8.114 17.203 -19.656
18 1HE MET 2 1HE MET 2 -8.601 17.610 -22.808
19 2HE MET 2 2HE MET 2 -9.383 19.191 -22.788
20 3HE MET 2 3HE MET 2 -9.784 17.990 -21.560
21 H PHE 3 H PHE 3 -3.438 16.217 -19.177
22 HA PHE 3 HA PHE 3 -4.115 13.829 -20.764
23 1HB PHE 3 2HB PHE 3 -1.724 15.660 -21.070
24 2HB PHE 3 1HB PHE 3 -2.179 14.342 -22.141
25 HD1 PHE 3 HD1 PHE 3 -4.051 14.577 -23.676
26 HD2 PHE 3 HD2 PHE 3 -2.837 17.783 -21.159
27 HE1 PHE 3 HE1 PHE 3 -5.350 16.146 -25.055
28 HE2 PHE 3 HE2 PHE 3 -4.137 19.358 -22.531
29 HZ PHE 3 HZ PHE 3 -5.396 18.538 -24.482
30 H LEU 4 H LEU 4 -3.549 12.004 -19.729
31 HA LEU 4 HA LEU 4 -1.429 11.977 -17.781
32 1HB LEU 4 2HB LEU 4 -1.925 9.645 -17.463
33 2HB LEU 4 1HB LEU 4 -3.421 10.552 -17.509
34 HG LEU 4 HG LEU 4 -2.382 9.063 -19.915
35 1HD1 LEU 4 1HD1 LEU 4 -2.622 7.478 -18.073
36 2HD1 LEU 4 2HD1 LEU 4 -3.879 7.239 -19.289
37 3HD1 LEU 4 3HD1 LEU 4 -4.259 8.063 -17.777
38 1HD2 LEU 4 1HD2 LEU 4 -5.134 10.017 -19.126
39 2HD2 LEU 4 2HD2 LEU 4 -4.729 9.131 -20.596
40 3HD2 LEU 4 3HD2 LEU 4 -4.092 10.755 -20.343
41 H ARG 5 H ARG 5 -1.350 12.175 -20.973
42 HA ARG 5 HA ARG 5 0.697 10.234 -21.565
43 1HB ARG 5 2HB ARG 5 -1.006 10.932 -23.235
44 2HB ARG 5 1HB ARG 5 -0.325 12.551 -23.221
45 1HG ARG 5 2HG ARG 5 1.795 11.659 -24.070
46 2HG ARG 5 1HG ARG 5 1.088 10.041 -24.106
47 1HD ARG 5 2HD ARG 5 -0.637 10.869 -25.669
48 2HD ARG 5 1HD ARG 5 0.152 12.444 -25.671
49 HE ARG 5 HE ARG 5 1.959 10.349 -26.393
50 1HH1 ARG 5 1HH1 ARG 5 -0.608 12.394 -27.621
51 2HH1 ARG 5 2HH1 ARG 5 -0.101 12.271 -29.277
52 1HH2 ARG 5 1HH2 ARG 5 2.645 10.190 -28.575
53 2HH2 ARG 5 2HH2 ARG 5 1.755 11.020 -29.821
54 H LYS 6 H LYS 6 0.489 13.571 -20.591
55 HA LYS 6 HA LYS 6 3.328 13.708 -20.203
56 1HB LYS 6 2HB LYS 6 3.237 14.256 -22.576
57 2HB LYS 6 1HB LYS 6 2.039 15.504 -22.263
58 1HG LYS 6 2HG LYS 6 3.653 16.785 -20.994
59 2HG LYS 6 1HG LYS 6 4.854 15.509 -21.194
60 1HD LYS 6 2HD LYS 6 3.598 17.060 -23.455
61 2HD LYS 6 1HD LYS 6 5.177 17.409 -22.748
62 1HE LYS 6 2HE LYS 6 4.362 14.850 -24.124
63 2HE LYS 6 1HE LYS 6 5.408 16.102 -24.791
64 1HZ LYS 6 1HZ LYS 6 6.913 15.671 -22.851
65 2HZ LYS 6 2HZ LYS 6 6.802 14.406 -23.971
66 3HZ LYS 6 3HZ LYS 6 5.969 14.302 -22.500
67 H VAL 7 H VAL 7 3.369 14.483 -18.220
68 HA VAL 7 HA VAL 7 1.968 17.023 -17.697
69 HB VAL 7 HB VAL 7 2.589 14.950 -15.587
70 1HG1 VAL 7 1HG1 VAL 7 1.057 16.284 -14.197
71 2HG1 VAL 7 2HG1 VAL 7 0.882 17.439 -15.519
72 3HG1 VAL 7 3HG1 VAL 7 2.449 17.222 -14.738
73 1HG2 VAL 7 1HG2 VAL 7 0.180 14.454 -15.554
74 2HG2 VAL 7 2HG2 VAL 7 0.924 14.026 -17.093
75 3HG2 VAL 7 3HG2 VAL 7 -0.045 15.495 -16.961
76 H GLU 8 H GLU 8 3.168 18.512 -16.317
77 HA GLU 8 HA GLU 8 5.873 18.613 -17.108
78 1HB GLU 8 2HB GLU 8 4.346 20.254 -15.096
79 2HB GLU 8 1HB GLU 8 6.002 20.597 -15.575
80 1HG GLU 8 2HG GLU 8 5.185 20.782 -17.935
81 2HG GLU 8 1HG GLU 8 3.542 20.672 -17.300
82 H GLY 9 H GLY 9 4.391 17.895 -13.952
83 1HA GLY 9 2HA GLY 9 6.827 16.413 -13.309
84 2HA GLY 9 1HA GLY 9 6.406 17.732 -12.237
85 HA PRO 10 HA PRO 10 2.926 14.454 -11.467
86 1HB PRO 10 2HB PRO 10 3.121 12.122 -12.873
87 2HB PRO 10 1HB PRO 10 2.121 13.480 -13.382
88 1HG PRO 10 2HG PRO 10 4.857 12.691 -14.300
89 2HG PRO 10 1HG PRO 10 3.476 13.252 -15.261
90 1HD PRO 10 2HD PRO 10 5.506 14.892 -14.627
91 2HD PRO 10 1HD PRO 10 3.835 15.466 -14.719
92 H ARG 11 H ARG 11 3.559 13.638 -9.525
93 HA ARG 11 HA ARG 11 5.888 11.936 -9.376
94 1HB ARG 11 2HB ARG 11 5.563 13.294 -7.441
95 2HB ARG 11 1HB ARG 11 3.886 12.784 -7.284
96 1HG ARG 11 2HG ARG 11 4.425 10.827 -6.285
97 2HG ARG 11 1HG ARG 11 5.927 10.653 -7.192
98 1HD ARG 11 2HD ARG 11 7.041 12.203 -5.793
99 2HD ARG 11 1HD ARG 11 5.537 12.669 -4.999
100 HE ARG 11 HE ARG 11 5.755 9.981 -4.542
101 1HH1 ARG 11 1HH1 ARG 11 7.851 12.719 -3.939
102 2HH1 ARG 11 2HH1 ARG 11 8.524 12.042 -2.484
103 1HH2 ARG 11 1HH2 ARG 11 6.644 9.083 -2.644
104 2HH2 ARG 11 2HH2 ARG 11 7.834 9.981 -1.744
105 H SER 12 H SER 12 5.299 10.366 -10.791
106 HA SER 12 HA SER 12 3.301 8.466 -9.765
107 1HB SER 12 2HB SER 12 2.873 9.365 -12.079
108 2HB SER 12 1HB SER 12 4.375 8.598 -12.587
109 HG SER 12 HG SER 12 1.977 7.506 -12.419
110 H VAL 13 H VAL 13 3.981 6.506 -9.191
111 HA VAL 13 HA VAL 13 6.871 6.067 -9.318
112 HB VAL 13 HB VAL 13 6.475 4.328 -7.557
113 1HG1 VAL 13 1HG1 VAL 13 5.567 7.117 -6.849
114 2HG1 VAL 13 2HG1 VAL 13 7.246 6.626 -7.078
115 3HG1 VAL 13 3HG1 VAL 13 6.295 5.937 -5.761
116 1HG2 VAL 13 1HG2 VAL 13 4.116 3.885 -7.957
117 2HG2 VAL 13 2HG2 VAL 13 3.711 5.540 -7.502
118 3HG2 VAL 13 3HG2 VAL 13 4.369 4.429 -6.298
119 H THR 14 H THR 14 7.717 4.625 -10.562
120 HA THR 14 HA THR 14 6.016 2.851 -12.106
121 HB THR 14 HB THR 14 9.023 3.087 -12.255
122 HG1 THR 14 HG1 THR 14 7.374 5.051 -12.596
123 1HG2 THR 14 1HG2 THR 14 6.929 2.296 -14.283
124 2HG2 THR 14 2HG2 THR 14 8.020 1.194 -13.447
125 3HG2 THR 14 3HG2 THR 14 8.667 2.386 -14.576
126 H LEU 15 H LEU 15 5.398 1.098 -11.038
127 HA LEU 15 HA LEU 15 6.810 -0.110 -8.908
128 1HB LEU 15 2HB LEU 15 4.657 -1.296 -10.666
129 2HB LEU 15 1HB LEU 15 5.144 -1.891 -9.091
130 HG LEU 15 HG LEU 15 3.882 0.807 -9.584
131 1HD1 LEU 15 1HD1 LEU 15 1.869 -0.162 -8.603
132 2HD1 LEU 15 2HD1 LEU 15 2.661 -1.734 -8.516
133 3HD1 LEU 15 3HD1 LEU 15 2.325 -1.002 -10.085
134 1HD2 LEU 15 1HD2 LEU 15 3.600 0.840 -7.156
135 2HD2 LEU 15 2HD2 LEU 15 5.302 0.743 -7.608
136 3HD2 LEU 15 3HD2 LEU 15 4.459 -0.696 -7.035
137 HA PRO 16 HA PRO 16 9.502 -3.000 -11.081
138 1HB PRO 16 2HB PRO 16 8.985 -4.897 -8.896
139 2HB PRO 16 1HB PRO 16 10.500 -4.127 -9.368
140 1HG PRO 16 2HG PRO 16 9.227 -3.465 -7.099
141 2HG PRO 16 1HG PRO 16 10.120 -2.269 -8.057
142 1HD PRO 16 2HD PRO 16 7.168 -2.779 -7.937
143 2HD PRO 16 1HD PRO 16 8.041 -1.232 -7.958
144 H ASP 17 H ASP 17 6.838 -2.905 -11.878
145 HA ASP 17 HA ASP 17 6.226 -5.713 -12.462
146 1HB ASP 17 2HB ASP 17 4.717 -5.074 -10.672
147 2HB ASP 17 1HB ASP 17 4.278 -3.594 -11.519
148 H GLY 18 H GLY 18 5.699 -2.304 -13.200
149 1HA GLY 18 2HA GLY 18 6.215 -1.780 -15.625
150 2HA GLY 18 1HA GLY 18 5.026 -3.028 -15.977
151 H SER 19 H SER 19 3.439 -2.236 -13.622
152 HA SER 19 HA SER 19 1.880 -0.169 -14.860
153 1HB SER 19 2HB SER 19 0.541 -0.539 -12.635
154 2HB SER 19 1HB SER 19 0.535 -1.793 -13.876
155 HG SER 19 HG SER 19 1.793 -3.048 -12.655
156 H ILE 20 H ILE 20 1.370 1.856 -13.906
157 HA ILE 20 HA ILE 20 3.397 2.806 -11.991
158 HB ILE 20 HB ILE 20 3.066 5.071 -12.993
159 1HG1 ILE 20 2HG1 ILE 20 1.636 3.527 -15.169
160 2HG1 ILE 20 1HG1 ILE 20 0.867 4.627 -14.032
161 1HG2 ILE 20 1HG2 ILE 20 4.996 3.704 -13.564
162 2HG2 ILE 20 2HG2 ILE 20 4.466 4.648 -14.957
163 3HG2 ILE 20 3HG2 ILE 20 4.079 2.930 -14.858
164 1HD1 ILE 20 1HD1 ILE 20 1.212 5.664 -16.211
165 2HD1 ILE 20 2HD1 ILE 20 2.949 5.394 -16.065
166 3HD1 ILE 20 3HD1 ILE 20 2.129 6.486 -14.948
167 H MET 21 H MET 21 2.740 4.025 -10.271
168 HA MET 21 HA MET 21 -0.165 4.430 -9.987
169 1HB MET 21 2HB MET 21 1.789 3.237 -8.053
170 2HB MET 21 1HB MET 21 0.365 4.077 -7.456
171 1HG MET 21 2HG MET 21 0.340 1.735 -9.345
172 2HG MET 21 1HG MET 21 0.035 1.655 -7.610
173 1HE MET 21 1HE MET 21 -3.262 3.801 -7.325
174 2HE MET 21 2HE MET 21 -1.604 4.388 -7.193
175 3HE MET 21 3HE MET 21 -2.061 2.866 -6.431
176 H THR 22 H THR 22 -0.825 6.217 -8.741
177 HA THR 22 HA THR 22 1.127 8.047 -7.688
178 HB THR 22 HB THR 22 1.261 8.633 -10.054
179 HG1 THR 22 HG1 THR 22 1.518 10.458 -8.941
180 1HG2 THR 22 1HG2 THR 22 -0.925 7.839 -10.788
181 2HG2 THR 22 2HG2 THR 22 -0.681 9.520 -11.263
182 3HG2 THR 22 3HG2 THR 22 -1.711 9.133 -9.885
183 H ARG 23 H ARG 23 -0.213 10.237 -7.238
184 HA ARG 23 HA ARG 23 -2.075 9.468 -5.243
185 1HB ARG 23 2HB ARG 23 -0.567 11.523 -5.255
186 2HB ARG 23 1HB ARG 23 -1.730 12.255 -6.352
187 1HG ARG 23 2HG ARG 23 -3.481 11.809 -4.591
188 2HG ARG 23 1HG ARG 23 -2.153 11.407 -3.504
189 1HD ARG 23 2HD ARG 23 -2.667 14.037 -4.873
190 2HD ARG 23 1HD ARG 23 -2.781 13.693 -3.150
191 HE ARG 23 HE ARG 23 -0.254 13.739 -4.684
192 1HH1 ARG 23 1HH1 ARG 23 -2.036 14.120 -1.682
193 2HH1 ARG 23 2HH1 ARG 23 -0.679 14.807 -0.830
194 1HH2 ARG 23 1HH2 ARG 23 1.515 14.628 -3.555
195 2HH2 ARG 23 2HH2 ARG 23 1.328 15.094 -1.895
196 H ALA 24 H ALA 24 -2.380 10.368 -8.560
197 HA ALA 24 HA ALA 24 -5.085 11.224 -8.514
198 1HB ALA 24 1HB ALA 24 -3.559 11.849 -10.307
199 2HB ALA 24 2HB ALA 24 -4.978 11.022 -10.947
200 3HB ALA 24 3HB ALA 24 -3.446 10.161 -10.810
201 H ASP 25 H ASP 25 -3.639 8.128 -8.367
202 HA ASP 25 HA ASP 25 -6.119 6.817 -9.230
203 1HB ASP 25 2HB ASP 25 -3.303 5.808 -8.894
204 2HB ASP 25 1HB ASP 25 -4.667 4.703 -9.007
205 H LEU 26 H LEU 26 -4.520 7.804 -6.457
206 HA LEU 26 HA LEU 26 -5.089 5.620 -4.735
207 1HB LEU 26 2HB LEU 26 -4.500 8.512 -4.136
208 2HB LEU 26 1HB LEU 26 -4.641 7.265 -2.914
209 HG LEU 26 HG LEU 26 -2.566 7.361 -5.102
210 1HD1 LEU 26 1HD1 LEU 26 -2.317 7.762 -2.126
211 2HD1 LEU 26 2HD1 LEU 26 -2.226 9.033 -3.346
212 3HD1 LEU 26 3HD1 LEU 26 -0.995 7.771 -3.292
213 1HD2 LEU 26 1HD2 LEU 26 -3.161 5.072 -4.569
214 2HD2 LEU 26 2HD2 LEU 26 -2.971 5.404 -2.847
215 3HD2 LEU 26 3HD2 LEU 26 -1.568 5.454 -3.913
216 HA PRO 27 HA PRO 27 -9.500 6.326 -4.164
217 1HB PRO 27 2HB PRO 27 -8.871 4.554 -1.854
218 2HB PRO 27 1HB PRO 27 -10.149 4.407 -3.065
219 1HG PRO 27 2HG PRO 27 -8.030 2.817 -3.159
220 2HG PRO 27 1HG PRO 27 -8.721 3.483 -4.648
221 1HD PRO 27 2HD PRO 27 -6.271 4.328 -3.150
222 2HD PRO 27 1HD PRO 27 -6.538 4.221 -4.904
223 HA PRO 28 HA PRO 28 -8.697 9.476 -1.014
224 1HB PRO 28 2HB PRO 28 -10.973 10.870 -1.407
225 2HB PRO 28 1HB PRO 28 -9.611 10.963 -2.524
226 1HG PRO 28 2HG PRO 28 -12.140 9.383 -2.752
227 2HG PRO 28 1HG PRO 28 -11.289 10.319 -3.995
228 1HD PRO 28 2HD PRO 28 -11.102 7.612 -3.766
229 2HD PRO 28 1HD PRO 28 -9.805 8.627 -4.429
230 H ALA 29 H ALA 29 -9.424 7.069 0.001
231 HA ALA 29 HA ALA 29 -10.370 6.064 1.792
232 1HB ALA 29 1HB ALA 29 -11.547 7.350 3.484
233 2HB ALA 29 2HB ALA 29 -11.645 8.731 2.393
234 3HB ALA 29 3HB ALA 29 -10.076 8.185 2.981
235 H ASN 30 H ASN 30 -12.753 8.286 0.363
236 HA ASN 30 HA ASN 30 -14.729 6.104 0.399
237 1HB ASN 30 2HB ASN 30 -16.385 7.977 -0.011
238 2HB ASN 30 1HB ASN 30 -15.570 8.017 1.548
239 1HD2 ASN 30 1HD2 ASN 30 -14.094 9.636 1.977
240 2HD2 ASN 30 2HD2 ASN 30 -13.935 11.050 0.980
241 H THR 31 H THR 31 -13.008 5.633 -1.496
242 HA THR 31 HA THR 31 -13.461 6.940 -3.976
243 HB THR 31 HB THR 31 -11.412 5.591 -3.420
244 HG1 THR 31 HG1 THR 31 -11.152 5.017 -5.562
245 1HG2 THR 31 1HG2 THR 31 -12.497 3.625 -2.456
246 2HG2 THR 31 2HG2 THR 31 -11.502 3.168 -3.839
247 3HG2 THR 31 3HG2 THR 31 -13.254 3.268 -4.009
248 H ARG 32 H ARG 32 -14.284 5.764 -5.910
249 HA ARG 32 HA ARG 32 -16.889 4.627 -5.274
250 1HB ARG 32 2HB ARG 32 -17.313 4.982 -7.736
251 2HB ARG 32 1HB ARG 32 -17.004 6.446 -6.812
252 1HG ARG 32 2HG ARG 32 -14.693 6.464 -7.614
253 2HG ARG 32 1HG ARG 32 -15.011 5.002 -8.548
254 1HD ARG 32 2HD ARG 32 -15.124 6.983 -9.961
255 2HD ARG 32 1HD ARG 32 -16.696 6.192 -9.854
256 HE ARG 32 HE ARG 32 -17.434 7.959 -8.410
257 1HH1 ARG 32 1HH1 ARG 32 -14.316 8.505 -9.914
258 2HH1 ARG 32 2HH1 ARG 32 -14.378 10.230 -9.710
259 1HH2 ARG 32 1HH2 ARG 32 -17.541 10.204 -8.171
260 2HH2 ARG 32 2HH2 ARG 32 -16.240 11.210 -8.748
261 H ARG 33 H ARG 33 -17.258 2.540 -5.370
262 HA ARG 33 HA ARG 33 -17.171 0.340 -5.886
263 1HB ARG 33 2HB ARG 33 -15.894 1.381 -8.414
264 2HB ARG 33 1HB ARG 33 -16.383 -0.290 -8.172
265 1HG ARG 33 2HG ARG 33 -18.368 1.917 -7.825
266 2HG ARG 33 1HG ARG 33 -17.944 1.345 -9.437
267 1HD ARG 33 2HD ARG 33 -19.893 0.169 -8.731
268 2HD ARG 33 1HD ARG 33 -18.540 -0.956 -8.704
269 HE ARG 33 HE ARG 33 -18.821 0.148 -6.140
270 1HH1 ARG 33 1HH1 ARG 33 -20.535 -1.977 -8.333
271 2HH1 ARG 33 2HH1 ARG 33 -21.322 -2.858 -7.066
272 1HH2 ARG 33 1HH2 ARG 33 -19.863 -1.001 -4.473
273 2HH2 ARG 33 2HH2 ARG 33 -20.969 -2.288 -4.865
274 H TRP 34 H TRP 34 -15.738 -0.106 -4.149
275 HA TRP 34 HA TRP 34 -12.917 -0.256 -4.507
276 1HB TRP 34 2HB TRP 34 -14.800 -1.568 -2.542
277 2HB TRP 34 1HB TRP 34 -13.069 -1.890 -2.538
278 HD1 TRP 34 HD1 TRP 34 -15.632 0.734 -1.559
279 HE1 TRP 34 HE1 TRP 34 -14.465 2.562 -0.170
280 HE3 TRP 34 HE3 TRP 34 -10.774 -0.689 -2.283
281 HZ2 TRP 34 HZ2 TRP 34 -11.830 3.306 0.511
282 HZ3 TRP 34 HZ3 TRP 34 -8.989 0.640 -1.230
283 HH2 TRP 34 HH2 TRP 34 -9.508 2.597 0.135
284 H VAL 35 H VAL 35 -11.868 -1.623 -5.785
285 HA VAL 35 HA VAL 35 -12.962 -4.331 -6.150
286 HB VAL 35 HB VAL 35 -11.783 -4.412 -8.344
287 1HG1 VAL 35 1HG1 VAL 35 -13.848 -2.233 -8.078
288 2HG1 VAL 35 2HG1 VAL 35 -14.171 -3.959 -8.251
289 3HG1 VAL 35 3HG1 VAL 35 -13.416 -3.063 -9.571
290 1HG2 VAL 35 1HG2 VAL 35 -11.384 -1.465 -7.853
291 2HG2 VAL 35 2HG2 VAL 35 -11.145 -2.271 -9.402
292 3HG2 VAL 35 3HG2 VAL 35 -10.126 -2.690 -8.027
293 H ALA 36 H ALA 36 -11.273 -5.979 -6.545
294 HA ALA 36 HA ALA 36 -9.495 -6.078 -4.425
295 1HB ALA 36 1HB ALA 36 -8.547 -8.051 -5.491
296 2HB ALA 36 2HB ALA 36 -9.327 -7.613 -7.012
297 3HB ALA 36 3HB ALA 36 -10.306 -8.049 -5.611
298 H SER 37 H SER 37 -8.823 -5.293 -7.819
299 HA SER 37 HA SER 37 -6.036 -4.938 -7.449
300 1HB SER 37 2HB SER 37 -7.868 -3.879 -9.611
301 2HB SER 37 1HB SER 37 -6.109 -3.875 -9.682
302 HG SER 37 HG SER 37 -6.346 -6.249 -9.291
303 H ARG 38 H ARG 38 -8.757 -2.846 -6.873
304 HA ARG 38 HA ARG 38 -7.232 -0.410 -6.912
305 1HB ARG 38 2HB ARG 38 -9.751 -0.567 -7.252
306 2HB ARG 38 1HB ARG 38 -9.877 -0.836 -5.518
307 1HG ARG 38 2HG ARG 38 -8.739 1.327 -5.140
308 2HG ARG 38 1HG ARG 38 -8.758 1.604 -6.879
309 1HD ARG 38 2HD ARG 38 -11.159 1.301 -5.076
310 2HD ARG 38 1HD ARG 38 -10.587 2.793 -5.813
311 HE ARG 38 HE ARG 38 -12.275 0.841 -6.994
312 1HH1 ARG 38 1HH1 ARG 38 -9.694 3.094 -7.805
313 2HH1 ARG 38 2HH1 ARG 38 -10.223 3.275 -9.447
314 1HH2 ARG 38 1HH2 ARG 38 -12.955 1.129 -9.154
315 2HH2 ARG 38 2HH2 ARG 38 -12.049 2.172 -10.209
316 H LYS 39 H LYS 39 -8.330 -2.702 -4.482
317 HA LYS 39 HA LYS 39 -7.411 -1.403 -2.169
318 1HB LYS 39 2HB LYS 39 -7.406 -4.384 -2.717
319 2HB LYS 39 1HB LYS 39 -7.445 -3.607 -1.139
320 1HG LYS 39 2HG LYS 39 -9.651 -2.925 -1.385
321 2HG LYS 39 1HG LYS 39 -9.618 -3.115 -3.139
322 1HD LYS 39 2HD LYS 39 -10.886 -4.933 -2.372
323 2HD LYS 39 1HD LYS 39 -9.289 -5.609 -2.688
324 1HE LYS 39 2HE LYS 39 -10.094 -6.478 -0.605
325 2HE LYS 39 1HE LYS 39 -8.770 -5.364 -0.273
326 1HZ LYS 39 1HZ LYS 39 -10.409 -3.659 0.250
327 2HZ LYS 39 2HZ LYS 39 -10.599 -5.009 1.254
328 3HZ LYS 39 3HZ LYS 39 -11.667 -4.751 -0.042
329 H ILE 40 H ILE 40 -5.837 -3.737 -4.301
330 HA ILE 40 HA ILE 40 -3.312 -3.759 -3.092
331 HB ILE 40 HB ILE 40 -4.089 -4.254 -5.973
332 1HG1 ILE 40 2HG1 ILE 40 -3.547 -6.168 -3.691
333 2HG1 ILE 40 1HG1 ILE 40 -5.143 -5.735 -4.295
334 1HG2 ILE 40 1HG2 ILE 40 -1.954 -5.416 -6.203
335 2HG2 ILE 40 2HG2 ILE 40 -1.518 -4.954 -4.559
336 3HG2 ILE 40 3HG2 ILE 40 -1.710 -3.717 -5.801
337 1HD1 ILE 40 1HD1 ILE 40 -4.421 -7.897 -5.130
338 2HD1 ILE 40 2HD1 ILE 40 -2.995 -7.150 -5.853
339 3HD1 ILE 40 3HD1 ILE 40 -4.604 -6.735 -6.445
340 H ALA 41 H ALA 41 -4.714 -1.657 -5.560
341 HA ALA 41 HA ALA 41 -2.395 -0.250 -6.264
342 1HB ALA 41 1HB ALA 41 -3.893 1.465 -7.123
343 2HB ALA 41 2HB ALA 41 -5.239 0.754 -6.233
344 3HB ALA 41 3HB ALA 41 -4.480 -0.143 -7.548
345 H VAL 42 H VAL 42 -4.657 0.161 -3.585
346 HA VAL 42 HA VAL 42 -3.749 2.670 -2.690
347 HB VAL 42 HB VAL 42 -4.776 0.462 -0.902
348 1HG1 VAL 42 1HG1 VAL 42 -4.853 3.465 -0.629
349 2HG1 VAL 42 2HG1 VAL 42 -3.796 2.369 0.264
350 3HG1 VAL 42 3HG1 VAL 42 -5.542 2.304 0.508
351 1HG2 VAL 42 1HG2 VAL 42 -6.336 2.504 -2.474
352 2HG2 VAL 42 2HG2 VAL 42 -7.009 1.428 -1.248
353 3HG2 VAL 42 3HG2 VAL 42 -6.333 0.761 -2.734
354 H VAL 43 H VAL 43 -2.898 -0.591 -1.461
355 HA VAL 43 HA VAL 43 -0.888 0.346 0.272
356 HB VAL 43 HB VAL 43 0.011 -2.125 -0.066
357 1HG1 VAL 43 1HG1 VAL 43 -2.544 -1.356 1.336
358 2HG1 VAL 43 2HG1 VAL 43 -0.909 -1.310 1.997
359 3HG1 VAL 43 3HG1 VAL 43 -1.665 -2.857 1.615
360 1HG2 VAL 43 1HG2 VAL 43 -1.342 -2.662 -1.999
361 2HG2 VAL 43 2HG2 VAL 43 -2.812 -2.241 -1.122
362 3HG2 VAL 43 3HG2 VAL 43 -1.858 -3.639 -0.624
363 H ARG 44 H ARG 44 -0.751 -0.559 -3.123
364 HA ARG 44 HA ARG 44 2.069 -0.474 -3.405
365 1HB ARG 44 2HB ARG 44 -0.257 -0.525 -5.164
366 2HB ARG 44 1HB ARG 44 1.021 0.497 -5.798
367 1HG ARG 44 2HG ARG 44 1.309 -1.654 -6.725
368 2HG ARG 44 1HG ARG 44 2.584 -1.434 -5.529
369 1HD ARG 44 2HD ARG 44 0.050 -2.735 -4.676
370 2HD ARG 44 1HD ARG 44 1.169 -3.661 -5.672
371 HE ARG 44 HE ARG 44 1.854 -2.503 -3.046
372 1HH1 ARG 44 1HH1 ARG 44 2.237 -4.920 -5.550
373 2HH1 ARG 44 2HH1 ARG 44 3.254 -5.951 -4.584
374 1HH2 ARG 44 1HH2 ARG 44 3.205 -3.882 -1.762
375 2HH2 ARG 44 2HH2 ARG 44 3.779 -5.378 -2.435
376 H GLY 45 H GLY 45 -0.452 1.984 -3.829
377 1HA GLY 45 2HA GLY 45 1.354 4.013 -4.686
378 2HA GLY 45 1HA GLY 45 -0.329 4.229 -4.251
379 H VAL 46 H VAL 46 0.149 3.094 -1.505
380 HA VAL 46 HA VAL 46 1.113 5.561 -0.362
381 HB VAL 46 HB VAL 46 0.640 4.502 1.860
382 1HG1 VAL 46 1HG1 VAL 46 -0.994 5.920 0.770
383 2HG1 VAL 46 2HG1 VAL 46 -1.792 4.602 1.630
384 3HG1 VAL 46 3HG1 VAL 46 -1.623 4.536 -0.126
385 1HG2 VAL 46 1HG2 VAL 46 -0.469 2.252 0.183
386 2HG2 VAL 46 2HG2 VAL 46 -0.725 2.462 1.916
387 3HG2 VAL 46 3HG2 VAL 46 0.898 2.157 1.296
388 H ILE 47 H ILE 47 2.045 2.146 0.094
389 HA ILE 47 HA ILE 47 4.241 2.691 1.737
390 HB ILE 47 HB ILE 47 3.686 0.261 0.026
391 1HG1 ILE 47 2HG1 ILE 47 3.082 0.806 2.941
392 2HG1 ILE 47 1HG1 ILE 47 1.900 0.803 1.638
393 1HG2 ILE 47 1HG2 ILE 47 5.564 0.575 2.363
394 2HG2 ILE 47 2HG2 ILE 47 6.019 0.309 0.680
395 3HG2 ILE 47 3HG2 ILE 47 5.157 -0.947 1.568
396 1HD1 ILE 47 1HD1 ILE 47 1.794 -1.261 2.878
397 2HD1 ILE 47 2HD1 ILE 47 3.510 -1.553 2.595
398 3HD1 ILE 47 3HD1 ILE 47 2.378 -1.572 1.244
399 H TYR 48 H TYR 48 4.134 1.920 -1.737
400 HA TYR 48 HA TYR 48 7.010 2.441 -1.903
401 1HB TYR 48 2HB TYR 48 6.110 0.342 -2.869
402 2HB TYR 48 1HB TYR 48 5.103 1.288 -3.956
403 HD1 TYR 48 HD1 TYR 48 8.663 0.666 -3.057
404 HD2 TYR 48 HD2 TYR 48 5.906 1.891 -6.055
405 HE1 TYR 48 HE1 TYR 48 10.479 0.671 -4.714
406 HE2 TYR 48 HE2 TYR 48 7.716 1.905 -7.723
407 HH TYR 48 HH TYR 48 10.194 2.114 -7.754
408 H GLY 49 H GLY 49 4.157 4.088 -2.216
409 1HA GLY 49 2HA GLY 49 5.020 5.654 -4.537
410 2HA GLY 49 1HA GLY 49 3.394 5.610 -3.881
411 H LEU 50 H LEU 50 3.188 6.551 -1.611
412 HA LEU 50 HA LEU 50 4.558 9.142 -1.819
413 1HB LEU 50 2HB LEU 50 1.783 8.415 -0.967
414 2HB LEU 50 1HB LEU 50 2.500 9.927 -0.455
415 HG LEU 50 HG LEU 50 2.848 10.468 -2.907
416 1HD1 LEU 50 1HD1 LEU 50 0.999 8.118 -3.257
417 2HD1 LEU 50 2HD1 LEU 50 2.658 8.248 -3.844
418 3HD1 LEU 50 3HD1 LEU 50 1.402 9.296 -4.505
419 1HD2 LEU 50 1HD2 LEU 50 1.090 11.499 -1.609
420 2HD2 LEU 50 2HD2 LEU 50 0.043 10.105 -1.872
421 3HD2 LEU 50 3HD2 LEU 50 0.504 11.131 -3.231
422 H ILE 51 H ILE 51 2.818 7.485 0.843
423 HA ILE 51 HA ILE 51 4.814 8.719 2.612
424 HB ILE 51 HB ILE 51 2.847 8.824 4.286
425 1HG1 ILE 51 2HG1 ILE 51 0.666 9.322 3.095
426 2HG1 ILE 51 1HG1 ILE 51 1.373 8.613 1.655
427 1HG2 ILE 51 1HG2 ILE 51 3.001 10.688 1.924
428 2HG2 ILE 51 2HG2 ILE 51 3.994 10.757 3.381
429 3HG2 ILE 51 3HG2 ILE 51 2.258 11.059 3.479
430 1HD1 ILE 51 1HD1 ILE 51 0.882 7.203 4.260
431 2HD1 ILE 51 2HD1 ILE 51 1.617 6.487 2.826
432 3HD1 ILE 51 3HD1 ILE 51 -0.060 7.033 2.777
433 H THR 52 H THR 52 4.236 7.854 4.992
434 HA THR 52 HA THR 52 4.978 5.059 4.845
435 HB THR 52 HB THR 52 5.067 5.668 7.498
436 HG1 THR 52 HG1 THR 52 4.452 7.856 7.130
437 1HG2 THR 52 1HG2 THR 52 7.456 6.062 7.147
438 2HG2 THR 52 2HG2 THR 52 7.160 6.292 5.424
439 3HG2 THR 52 3HG2 THR 52 6.879 4.717 6.164
440 H LEU 53 H LEU 53 4.144 3.644 6.709
441 HA LEU 53 HA LEU 53 1.442 3.144 6.212
442 1HB LEU 53 2HB LEU 53 2.977 1.402 6.914
443 2HB LEU 53 1HB LEU 53 3.188 2.177 8.473
444 HG LEU 53 HG LEU 53 0.835 1.734 9.019
445 1HD1 LEU 53 1HD1 LEU 53 -0.077 1.785 6.755
446 2HD1 LEU 53 2HD1 LEU 53 -0.513 0.292 7.588
447 3HD1 LEU 53 3HD1 LEU 53 0.766 0.283 6.376
448 1HD2 LEU 53 1HD2 LEU 53 2.364 -0.709 8.126
449 2HD2 LEU 53 2HD2 LEU 53 1.021 -0.694 9.270
450 3HD2 LEU 53 3HD2 LEU 53 2.534 0.118 9.674
451 H ALA 54 H ALA 54 2.956 5.043 8.734
452 HA ALA 54 HA ALA 54 0.826 5.152 10.547
453 1HB ALA 54 1HB ALA 54 2.867 7.289 9.941
454 2HB ALA 54 2HB ALA 54 3.083 5.950 11.066
455 3HB ALA 54 3HB ALA 54 1.871 7.189 11.391
456 H GLU 55 H GLU 55 1.672 7.332 7.877
457 HA GLU 55 HA GLU 55 -0.571 9.021 8.096
458 1HB GLU 55 2HB GLU 55 1.332 8.388 5.842
459 2HB GLU 55 1HB GLU 55 0.021 9.548 5.652
460 1HG GLU 55 2HG GLU 55 2.081 10.692 6.153
461 2HG GLU 55 1HG GLU 55 0.956 10.875 7.497
462 H ALA 56 H ALA 56 0.079 6.255 5.975
463 HA ALA 56 HA ALA 56 -2.405 6.227 4.652
464 1HB ALA 56 1HB ALA 56 -0.431 5.029 3.846
465 2HB ALA 56 2HB ALA 56 -1.825 3.958 3.994
466 3HB ALA 56 3HB ALA 56 -0.548 3.914 5.208
467 H LYS 57 H LYS 57 -1.532 5.054 7.831
468 HA LYS 57 HA LYS 57 -3.933 3.442 7.987
469 1HB LYS 57 2HB LYS 57 -1.745 2.867 9.139
470 2HB LYS 57 1HB LYS 57 -2.097 4.170 10.266
471 1HG LYS 57 2HG LYS 57 -3.654 2.978 11.364
472 2HG LYS 57 1HG LYS 57 -4.260 2.209 9.896
473 1HD LYS 57 2HD LYS 57 -3.280 0.491 11.210
474 2HD LYS 57 1HD LYS 57 -2.160 0.818 9.888
475 1HE LYS 57 2HE LYS 57 -0.827 0.613 11.815
476 2HE LYS 57 1HE LYS 57 -0.929 2.342 11.497
477 1HZ LYS 57 1HZ LYS 57 -2.629 0.889 13.450
478 2HZ LYS 57 2HZ LYS 57 -2.569 2.570 13.211
479 3HZ LYS 57 3HZ LYS 57 -1.228 1.758 13.855
480 H GLN 58 H GLN 58 -2.754 6.505 9.342
481 HA GLN 58 HA GLN 58 -5.096 7.001 10.865
482 1HB GLN 58 2HB GLN 58 -2.931 8.847 9.860
483 2HB GLN 58 1HB GLN 58 -4.231 9.367 10.924
484 1HG GLN 58 2HG GLN 58 -3.493 7.796 12.628
485 2HG GLN 58 1HG GLN 58 -2.226 7.208 11.555
486 1HE2 GLN 58 1HE2 GLN 58 -0.622 7.736 13.022
487 2HE2 GLN 58 2HE2 GLN 58 -0.138 9.377 13.304
488 H THR 59 H THR 59 -4.242 7.591 7.531
489 HA THR 59 HA THR 59 -6.692 9.153 7.155
490 HB THR 59 HB THR 59 -4.491 8.612 5.157
491 HG1 THR 59 HG1 THR 59 -3.627 9.852 6.803
492 1HG2 THR 59 1HG2 THR 59 -5.467 10.503 3.940
493 2HG2 THR 59 2HG2 THR 59 -6.728 10.645 5.165
494 3HG2 THR 59 3HG2 THR 59 -6.647 9.206 4.145
495 H TYR 60 H TYR 60 -5.029 6.366 5.616
496 HA TYR 60 HA TYR 60 -7.580 5.673 4.352
497 1HB TYR 60 2HB TYR 60 -4.862 4.640 3.569
498 2HB TYR 60 1HB TYR 60 -6.359 4.508 2.659
499 HD1 TYR 60 HD1 TYR 60 -3.403 6.423 3.187
500 HD2 TYR 60 HD2 TYR 60 -7.413 6.698 1.791
501 HE1 TYR 60 HE1 TYR 60 -2.830 8.476 1.965
502 HE2 TYR 60 HE2 TYR 60 -6.850 8.754 0.565
503 HH TYR 60 HH TYR 60 -5.187 10.552 0.644
504 H GLY 61 H GLY 61 -6.524 4.940 7.131
505 1HA GLY 61 2HA GLY 61 -5.518 2.337 7.144
506 2HA GLY 61 1HA GLY 61 -6.267 3.139 8.509
507 H LEU 62 H LEU 62 -8.821 3.382 6.917
508 HA LEU 62 HA LEU 62 -10.837 2.339 7.045
509 1HB LEU 62 2HB LEU 62 -9.908 -0.284 6.138
510 2HB LEU 62 1HB LEU 62 -11.109 0.782 5.444
511 HG LEU 62 HG LEU 62 -8.699 2.037 4.865
512 1HD1 LEU 62 1HD1 LEU 62 -7.445 0.067 5.522
513 2HD1 LEU 62 2HD1 LEU 62 -7.369 0.284 3.771
514 3HD1 LEU 62 3HD1 LEU 62 -8.432 -0.940 4.463
515 1HD2 LEU 62 1HD2 LEU 62 -9.188 1.409 2.574
516 2HD2 LEU 62 2HD2 LEU 62 -10.666 1.874 3.418
517 3HD2 LEU 62 3HD2 LEU 62 -10.311 0.169 3.138
518 H SER 63 H SER 63 -9.265 -0.726 7.400
519 HA SER 63 HA SER 63 -9.701 -0.752 10.289
520 1HB SER 63 2HB SER 63 -11.652 -1.908 9.527
521 2HB SER 63 1HB SER 63 -10.738 -2.791 8.305
522 HG SER 63 HG SER 63 -11.267 -3.528 10.802
523 H ASP 64 H ASP 64 -8.173 -1.993 11.390
524 HA ASP 64 HA ASP 64 -5.646 -2.290 10.240
525 1HB ASP 64 2HB ASP 64 -6.045 -2.132 12.674
526 2HB ASP 64 1HB ASP 64 -6.774 -3.734 12.656
527 H GLU 65 H GLU 65 -8.222 -4.632 10.783
528 HA GLU 65 HA GLU 65 -6.911 -6.913 9.789
529 1HB GLU 65 2HB GLU 65 -9.853 -6.225 9.758
530 2HB GLU 65 1HB GLU 65 -9.182 -7.828 9.487
531 1HG GLU 65 2HG GLU 65 -8.380 -7.937 11.735
532 2HG GLU 65 1HG GLU 65 -8.825 -6.254 12.023
533 H GLU 66 H GLU 66 -9.018 -4.541 8.219
534 HA GLU 66 HA GLU 66 -9.171 -5.693 5.689
535 1HB GLU 66 2HB GLU 66 -10.576 -3.822 6.412
536 2HB GLU 66 1HB GLU 66 -9.171 -2.769 6.465
537 1HG GLU 66 2HG GLU 66 -10.405 -2.297 4.488
538 2HG GLU 66 1HG GLU 66 -8.901 -3.093 4.024
539 H PHE 67 H PHE 67 -6.932 -3.212 6.875
540 HA PHE 67 HA PHE 67 -5.562 -2.880 4.448
541 1HB PHE 67 2HB PHE 67 -5.622 -1.319 6.469
542 2HB PHE 67 1HB PHE 67 -4.382 -2.351 7.174
543 HD1 PHE 67 HD1 PHE 67 -5.127 0.201 4.712
544 HD2 PHE 67 HD2 PHE 67 -2.151 -2.485 6.143
545 HE1 PHE 67 HE1 PHE 67 -3.404 1.469 3.496
546 HE2 PHE 67 HE2 PHE 67 -0.425 -1.224 4.929
547 HZ PHE 67 HZ PHE 67 -1.049 0.753 3.606
548 H ASN 68 H ASN 68 -4.879 -4.941 7.277
549 HA ASN 68 HA ASN 68 -2.328 -5.748 6.293
550 1HB ASN 68 2HB ASN 68 -2.187 -7.275 8.119
551 2HB ASN 68 1HB ASN 68 -2.945 -5.814 8.719
552 1HD2 ASN 68 1HD2 ASN 68 -3.921 -6.700 10.438
553 2HD2 ASN 68 2HD2 ASN 68 -5.198 -7.867 10.348
554 H SER 69 H SER 69 -5.530 -6.748 5.616
555 HA SER 69 HA SER 69 -4.895 -9.349 4.633
556 1HB SER 69 2HB SER 69 -7.249 -7.556 3.983
557 2HB SER 69 1HB SER 69 -7.132 -9.270 3.588
558 HG SER 69 HG SER 69 -7.142 -8.111 6.188
559 H TRP 70 H TRP 70 -4.838 -6.114 3.290
560 HA TRP 70 HA TRP 70 -4.577 -6.898 0.568
561 1HB TRP 70 2HB TRP 70 -3.537 -4.372 1.870
562 2HB TRP 70 1HB TRP 70 -3.830 -4.618 0.155
563 HD1 TRP 70 HD1 TRP 70 -6.728 -6.138 1.631
564 HE1 TRP 70 HE1 TRP 70 -8.700 -4.506 1.846
565 HE3 TRP 70 HE3 TRP 70 -4.224 -1.746 0.878
566 HZ2 TRP 70 HZ2 TRP 70 -9.142 -1.728 1.664
567 HZ3 TRP 70 HZ3 TRP 70 -5.502 0.352 0.902
568 HH2 TRP 70 HH2 TRP 70 -7.909 0.359 1.287
569 H VAL 71 H VAL 71 -2.278 -6.081 3.119
570 HA VAL 71 HA VAL 71 0.067 -6.417 1.576
571 HB VAL 71 HB VAL 71 -0.206 -6.754 4.562
572 1HG1 VAL 71 1HG1 VAL 71 2.161 -6.007 2.851
573 2HG1 VAL 71 2HG1 VAL 71 1.926 -7.535 3.697
574 3HG1 VAL 71 3HG1 VAL 71 2.145 -6.044 4.615
575 1HG2 VAL 71 1HG2 VAL 71 -1.178 -4.629 3.832
576 2HG2 VAL 71 2HG2 VAL 71 0.318 -4.239 2.984
577 3HG2 VAL 71 3HG2 VAL 71 0.310 -4.377 4.743
578 H SER 72 H SER 72 -1.810 -8.611 3.621
579 HA SER 72 HA SER 72 -0.044 -10.787 3.594
580 1HB SER 72 2HB SER 72 -2.043 -10.563 5.090
581 2HB SER 72 1HB SER 72 -3.072 -10.909 3.702
582 HG SER 72 HG SER 72 -2.143 -12.667 5.295
583 H ALA 73 H ALA 73 -2.627 -9.848 1.356
584 HA ALA 73 HA ALA 73 -2.448 -12.169 -0.273
585 1HB ALA 73 1HB ALA 73 -4.431 -10.748 -0.269
586 2HB ALA 73 2HB ALA 73 -3.764 -10.894 -1.893
587 3HB ALA 73 3HB ALA 73 -3.494 -9.422 -0.958
588 H LEU 74 H LEU 74 -0.726 -9.175 -0.113
589 HA LEU 74 HA LEU 74 0.547 -9.515 -2.697
590 1HB LEU 74 2HB LEU 74 0.845 -7.467 -0.511
591 2HB LEU 74 1HB LEU 74 1.757 -7.432 -2.012
592 HG LEU 74 HG LEU 74 -1.253 -7.332 -1.857
593 1HD1 LEU 74 1HD1 LEU 74 -0.276 -5.361 -0.830
594 2HD1 LEU 74 2HD1 LEU 74 -1.022 -4.961 -2.378
595 3HD1 LEU 74 3HD1 LEU 74 0.732 -5.104 -2.255
596 1HD2 LEU 74 1HD2 LEU 74 -1.079 -6.621 -4.193
597 2HD2 LEU 74 2HD2 LEU 74 -0.407 -8.234 -3.949
598 3HD2 LEU 74 3HD2 LEU 74 0.668 -6.847 -4.129
599 H ALA 75 H ALA 75 1.034 -10.655 0.399
600 HA ALA 75 HA ALA 75 3.916 -11.018 0.001
601 1HB ALA 75 1HB ALA 75 2.187 -11.704 2.378
602 2HB ALA 75 2HB ALA 75 3.180 -10.256 2.209
603 3HB ALA 75 3HB ALA 75 3.941 -11.845 2.296
604 H GLU 76 H GLU 76 0.932 -12.553 -0.378
605 HA GLU 76 HA GLU 76 0.301 -14.541 -1.241
606 1HB GLU 76 2HB GLU 76 2.374 -14.391 -2.634
607 2HB GLU 76 1HB GLU 76 3.222 -15.292 -1.384
608 1HG GLU 76 2HG GLU 76 1.648 -17.159 -1.703
609 2HG GLU 76 1HG GLU 76 0.886 -16.259 -3.012
610 H HIS 77 H HIS 77 3.002 -14.910 1.019
611 HA HIS 77 HA HIS 77 1.365 -16.863 2.491
612 1HB HIS 77 2HB HIS 77 4.300 -16.996 1.824
613 2HB HIS 77 1HB HIS 77 3.599 -17.924 3.146
614 HD1 HIS 77 HD1 HIS 77 4.833 -18.843 0.205
615 HD2 HIS 77 HD2 HIS 77 0.917 -18.988 1.590
616 HE1 HIS 77 HE1 HIS 77 3.710 -20.651 -1.132
617 HE2 HIS 77 HE2 HIS 77 1.442 -20.915 -0.055
618 H GLY 78 H GLY 78 0.739 -15.833 4.275
619 1HA GLY 78 2HA GLY 78 2.558 -14.081 5.717
620 2HA GLY 78 1HA GLY 78 0.911 -14.494 6.185
621 H LYS 79 H LYS 79 0.611 -15.959 7.720
622 HA LYS 79 HA LYS 79 0.849 -17.747 9.078
623 1HB LYS 79 2HB LYS 79 1.605 -18.909 7.025
624 2HB LYS 79 1HB LYS 79 3.257 -18.444 7.396
625 1HG LYS 79 2HG LYS 79 3.243 -19.786 9.388
626 2HG LYS 79 1HG LYS 79 1.531 -20.160 9.165
627 1HD LYS 79 2HD LYS 79 2.084 -21.271 7.031
628 2HD LYS 79 1HD LYS 79 3.793 -20.943 7.321
629 1HE LYS 79 2HE LYS 79 3.194 -23.232 7.939
630 2HE LYS 79 1HE LYS 79 3.730 -22.300 9.335
631 1HZ LYS 79 1HZ LYS 79 1.493 -22.038 10.060
632 2HZ LYS 79 2HZ LYS 79 1.731 -23.688 9.734
633 3HZ LYS 79 3HZ LYS 79 0.877 -22.720 8.633
634 H ASP 80 H ASP 80 4.107 -16.633 8.302
635 HA ASP 80 HA ASP 80 4.948 -16.872 11.069
636 1HB ASP 80 2HB ASP 80 6.464 -17.545 9.256
637 2HB ASP 80 1HB ASP 80 6.418 -15.912 8.604
638 H ALA 81 H ALA 81 4.328 -14.388 8.679
639 HA ALA 81 HA ALA 81 3.540 -12.274 8.885
640 1HB ALA 81 1HB ALA 81 3.773 -12.604 11.866
641 2HB ALA 81 2HB ALA 81 2.350 -12.989 10.899
642 3HB ALA 81 3HB ALA 81 2.914 -11.323 11.010
643 H LEU 82 H LEU 82 6.579 -13.255 10.020
644 HA LEU 82 HA LEU 82 7.509 -10.481 10.217
645 1HB LEU 82 2HB LEU 82 8.131 -12.249 11.938
646 2HB LEU 82 1HB LEU 82 9.121 -12.985 10.695
647 HG LEU 82 HG LEU 82 9.564 -10.117 11.491
648 1HD1 LEU 82 1HD1 LEU 82 11.241 -10.906 13.100
649 2HD1 LEU 82 2HD1 LEU 82 10.703 -12.565 12.836
650 3HD1 LEU 82 3HD1 LEU 82 9.608 -11.387 13.558
651 1HD2 LEU 82 1HD2 LEU 82 10.684 -10.948 9.475
652 2HD2 LEU 82 2HD2 LEU 82 11.394 -12.265 10.411
653 3HD2 LEU 82 3HD2 LEU 82 11.843 -10.594 10.757
654 H LYS 83 H LYS 83 7.899 -13.404 8.300
655 HA LYS 83 HA LYS 83 9.883 -12.153 6.591
656 1HB LYS 83 2HB LYS 83 8.590 -14.882 6.506
657 2HB LYS 83 1HB LYS 83 9.746 -14.322 5.310
658 1HG LYS 83 2HG LYS 83 10.969 -15.650 6.821
659 2HG LYS 83 1HG LYS 83 11.370 -13.981 7.226
660 1HD LYS 83 2HD LYS 83 9.844 -14.023 9.090
661 2HD LYS 83 1HD LYS 83 9.283 -15.631 8.641
662 1HE LYS 83 2HE LYS 83 11.562 -16.499 9.051
663 2HE LYS 83 1HE LYS 83 12.054 -14.890 9.582
664 1HZ LYS 83 1HZ LYS 83 11.477 -16.393 11.429
665 2HZ LYS 83 2HZ LYS 83 9.883 -16.490 10.840
666 3HZ LYS 83 3HZ LYS 83 10.496 -15.012 11.388
667 H VAL 84 H VAL 84 6.983 -11.282 6.795
668 HA VAL 84 HA VAL 84 5.669 -11.751 4.358
669 HB VAL 84 HB VAL 84 5.566 -9.323 6.164
670 1HG1 VAL 84 1HG1 VAL 84 3.403 -8.841 5.095
671 2HG1 VAL 84 2HG1 VAL 84 3.701 -10.142 3.941
672 3HG1 VAL 84 3HG1 VAL 84 4.751 -8.727 3.964
673 1HG2 VAL 84 1HG2 VAL 84 3.786 -11.749 5.976
674 2HG2 VAL 84 2HG2 VAL 84 3.485 -10.338 6.991
675 3HG2 VAL 84 3HG2 VAL 84 4.893 -11.356 7.293
676 H THR 85 H THR 85 6.216 -11.181 2.366
677 HA THR 85 HA THR 85 8.577 -10.049 1.609
678 HB THR 85 HB THR 85 6.016 -9.849 0.020
679 HG1 THR 85 HG1 THR 85 7.770 -12.028 0.532
680 1HG2 THR 85 1HG2 THR 85 7.921 -8.649 -0.953
681 2HG2 THR 85 2HG2 THR 85 7.489 -10.059 -1.919
682 3HG2 THR 85 3HG2 THR 85 8.895 -10.116 -0.855
683 H ALA 86 H ALA 86 5.442 -8.330 1.732
684 HA ALA 86 HA ALA 86 6.614 -5.863 0.888
685 1HB ALA 86 1HB ALA 86 3.886 -6.367 2.059
686 2HB ALA 86 2HB ALA 86 4.305 -6.460 0.348
687 3HB ALA 86 3HB ALA 86 4.406 -4.918 1.196
688 H LEU 87 H LEU 87 6.312 -7.392 3.918
689 HA LEU 87 HA LEU 87 6.278 -4.885 5.415
690 1HB LEU 87 2HB LEU 87 5.034 -7.178 5.951
691 2HB LEU 87 1HB LEU 87 6.556 -7.546 6.736
692 HG LEU 87 HG LEU 87 4.811 -6.662 8.273
693 1HD1 LEU 87 1HD1 LEU 87 7.261 -4.933 7.991
694 2HD1 LEU 87 2HD1 LEU 87 7.154 -6.456 8.873
695 3HD1 LEU 87 3HD1 LEU 87 6.241 -5.051 9.425
696 1HD2 LEU 87 1HD2 LEU 87 3.734 -5.112 6.741
697 2HD2 LEU 87 2HD2 LEU 87 5.188 -4.115 6.707
698 3HD2 LEU 87 3HD2 LEU 87 4.267 -4.283 8.202
699 H LYS 88 H LYS 88 8.291 -7.727 4.890
700 HA LYS 88 HA LYS 88 10.504 -6.966 6.447
701 1HB LYS 88 2HB LYS 88 10.203 -9.226 5.648
702 2HB LYS 88 1HB LYS 88 10.264 -8.692 3.979
703 1HG LYS 88 2HG LYS 88 12.611 -8.128 4.212
704 2HG LYS 88 1HG LYS 88 12.563 -8.576 5.921
705 1HD LYS 88 2HD LYS 88 12.083 -10.860 5.375
706 2HD LYS 88 1HD LYS 88 11.889 -10.461 3.669
707 1HE LYS 88 2HE LYS 88 14.253 -9.869 3.533
708 2HE LYS 88 1HE LYS 88 14.452 -10.243 5.247
709 1HZ LYS 88 1HZ LYS 88 14.064 -12.510 4.862
710 2HZ LYS 88 2HZ LYS 88 15.111 -12.035 3.609
711 3HZ LYS 88 3HZ LYS 88 13.456 -12.241 3.302
712 H LYS 89 H LYS 89 9.606 -6.269 3.110
713 HA LYS 89 HA LYS 89 11.997 -4.799 2.544
714 1HB LYS 89 2HB LYS 89 9.365 -5.134 1.151
715 2HB LYS 89 1HB LYS 89 10.490 -3.886 0.624
716 1HG LYS 89 2HG LYS 89 12.182 -5.524 0.168
717 2HG LYS 89 1HG LYS 89 11.184 -6.806 0.855
718 1HD LYS 89 2HD LYS 89 9.637 -6.691 -0.922
719 2HD LYS 89 1HD LYS 89 10.287 -5.152 -1.489
720 1HE LYS 89 2HE LYS 89 10.935 -7.098 -2.894
721 2HE LYS 89 1HE LYS 89 12.302 -6.204 -2.237
722 1HZ LYS 89 1HZ LYS 89 11.229 -8.722 -1.074
723 2HZ LYS 89 2HZ LYS 89 12.625 -7.895 -0.583
724 3HZ LYS 89 3HZ LYS 89 12.569 -8.630 -2.107
725 H TYR 90 H TYR 90 8.767 -3.948 3.689
726 HA TYR 90 HA TYR 90 9.079 -1.161 3.682
727 1HB TYR 90 2HB TYR 90 6.918 -2.303 4.094
728 2HB TYR 90 1HB TYR 90 7.516 -2.858 5.650
729 HD1 TYR 90 HD1 TYR 90 7.315 0.405 3.822
730 HD2 TYR 90 HD2 TYR 90 6.673 -1.718 7.448
731 HE1 TYR 90 HE1 TYR 90 6.463 2.462 4.865
732 HE2 TYR 90 HE2 TYR 90 5.818 0.332 8.503
733 HH TYR 90 HH TYR 90 6.016 2.771 8.209
734 H ARG 91 H ARG 91 9.870 -3.593 6.145
735 HA ARG 91 HA ARG 91 10.824 -1.869 8.127
736 1HB ARG 91 2HB ARG 91 11.666 -4.691 7.449
737 2HB ARG 91 1HB ARG 91 12.199 -3.834 8.885
738 1HG ARG 91 2HG ARG 91 9.359 -4.551 8.200
739 2HG ARG 91 1HG ARG 91 10.377 -5.336 9.408
740 1HD ARG 91 2HD ARG 91 9.355 -2.501 9.433
741 2HD ARG 91 1HD ARG 91 8.901 -3.808 10.523
742 HE ARG 91 HE ARG 91 11.699 -2.918 10.471
743 1HH1 ARG 91 1HH1 ARG 91 8.649 -3.204 12.184
744 2HH1 ARG 91 2HH1 ARG 91 9.317 -2.639 13.695
745 1HH2 ARG 91 1HH2 ARG 91 12.555 -2.217 12.461
746 2HH2 ARG 91 2HH2 ARG 91 11.512 -2.090 13.850
747 H GLN 92 H GLN 92 12.658 -3.610 5.624
748 HA GLN 92 HA GLN 92 15.168 -2.509 6.209
749 1HB GLN 92 2HB GLN 92 14.882 -4.472 4.772
750 2HB GLN 92 1HB GLN 92 14.097 -3.476 3.554
751 1HG GLN 92 2HG GLN 92 16.213 -2.157 3.382
752 2HG GLN 92 1HG GLN 92 16.965 -3.342 4.449
753 1HE2 GLN 92 1HE2 GLN 92 14.567 -4.193 2.075
754 2HE2 GLN 92 2HE2 GLN 92 15.630 -5.053 1.016
755 H LEU 93 H LEU 93 12.623 -1.402 4.029
756 HA LEU 93 HA LEU 93 14.105 0.691 2.845
757 1HB LEU 93 2HB LEU 93 12.173 -0.207 1.752
758 2HB LEU 93 1HB LEU 93 11.144 0.203 3.108
759 HG LEU 93 HG LEU 93 11.559 2.622 2.614
760 1HD1 LEU 93 1HD1 LEU 93 12.913 1.506 0.159
761 2HD1 LEU 93 2HD1 LEU 93 13.671 2.446 1.447
762 3HD1 LEU 93 3HD1 LEU 93 12.469 3.196 0.397
763 1HD2 LEU 93 1HD2 LEU 93 10.094 2.696 0.650
764 2HD2 LEU 93 2HD2 LEU 93 9.542 1.510 1.834
765 3HD2 LEU 93 3HD2 LEU 93 10.382 0.977 0.377
766 H LEU 94 H LEU 94 12.159 0.493 5.754
767 HA LEU 94 HA LEU 94 11.966 3.269 6.245
768 1HB LEU 94 2HB LEU 94 11.860 0.889 8.084
769 2HB LEU 94 1HB LEU 94 11.632 2.531 8.647
770 HG LEU 94 HG LEU 94 9.898 1.144 6.606
771 1HD1 LEU 94 1HD1 LEU 94 9.690 0.191 8.856
772 2HD1 LEU 94 2HD1 LEU 94 8.232 1.052 8.364
773 3HD1 LEU 94 3HD1 LEU 94 9.358 1.800 9.497
774 1HD2 LEU 94 1HD2 LEU 94 9.598 3.810 7.986
775 2HD2 LEU 94 2HD2 LEU 94 8.418 3.069 6.905
776 3HD2 LEU 94 3HD2 LEU 94 9.995 3.562 6.285
777 H GLU 95 H GLU 95 14.062 0.863 7.857
778 HA GLU 95 HA GLU 95 15.963 1.099 9.088
779 1HB GLU 95 2HB GLU 95 16.428 2.361 6.656
780 2HB GLU 95 1HB GLU 95 16.927 3.564 7.835
781 1HG GLU 95 2HG GLU 95 17.899 0.735 7.969
782 2HG GLU 95 1HG GLU 95 18.683 1.942 6.952
783 H HIS 96 H HIS 96 17.302 3.125 10.262
784 HA HIS 96 HA HIS 96 17.247 4.748 11.863
785 1HB HIS 96 2HB HIS 96 14.784 5.612 10.340
786 2HB HIS 96 1HB HIS 96 15.440 6.513 11.698
787 HD1 HIS 96 HD1 HIS 96 17.058 8.284 11.103
788 HD2 HIS 96 HD2 HIS 96 16.769 5.385 8.140
789 HE1 HIS 96 HE1 HIS 96 18.484 9.112 9.208
790 HE2 HIS 96 HE2 HIS 96 18.456 7.244 7.515
791 H HIS 97 H HIS 97 16.952 3.526 13.698
792 HA HIS 97 HA HIS 97 14.507 2.299 14.399
793 1HB HIS 97 2HB HIS 97 16.892 1.867 15.343
794 2HB HIS 97 1HB HIS 97 16.512 3.177 16.459
795 HD1 HIS 97 HD1 HIS 97 16.036 -0.398 15.908
796 HD2 HIS 97 HD2 HIS 97 14.201 2.587 18.152
797 HE1 HIS 97 HE1 HIS 97 14.605 -1.596 17.598
798 HE2 HIS 97 HE2 HIS 97 13.371 0.230 18.818
799 H HIS 98 H HIS 98 16.012 5.352 15.362
800 HA HIS 98 HA HIS 98 15.178 7.303 16.170
801 1HB HIS 98 2HB HIS 98 13.925 6.930 13.946
802 2HB HIS 98 1HB HIS 98 12.538 6.522 14.947
803 HD1 HIS 98 HD1 HIS 98 14.030 9.290 13.252
804 HD2 HIS 98 HD2 HIS 98 11.911 8.809 16.804
805 HE1 HIS 98 HE1 HIS 98 13.155 11.574 13.840
806 HE2 HIS 98 HE2 HIS 98 11.882 11.267 15.996
807 H HIS 99 H HIS 99 11.907 6.175 16.360
808 HA HIS 99 HA HIS 99 12.193 5.394 19.171
809 1HB HIS 99 2HB HIS 99 10.327 7.538 18.139
810 2HB HIS 99 1HB HIS 99 10.026 6.679 19.644
811 HD1 HIS 99 HD1 HIS 99 10.868 9.814 18.980
812 HD2 HIS 99 HD2 HIS 99 13.043 6.845 20.925
813 HE1 HIS 99 HE1 HIS 99 12.544 11.026 20.420
814 HE2 HIS 99 HE2 HIS 99 13.742 9.213 21.702
815 H HIS 100 H HIS 100 11.668 4.177 16.483
816 HA HIS 100 HA HIS 100 8.902 3.253 16.819
817 1HB HIS 100 2HB HIS 100 9.460 4.336 14.661
818 2HB HIS 100 1HB HIS 100 10.683 3.102 14.376
819 HD1 HIS 100 HD1 HIS 100 6.946 3.471 14.746
820 HD2 HIS 100 HD2 HIS 100 9.731 0.784 13.231
821 HE1 HIS 100 HE1 HIS 100 5.606 1.715 13.546
822 HE2 HIS 100 HE2 HIS 100 7.297 -0.045 12.923
823 H HIS 101 H HIS 101 8.435 1.168 17.119
824 HA HIS 101 HA HIS 101 10.641 -0.760 17.160
825 1HB HIS 101 2HB HIS 101 9.499 -0.766 19.250
826 2HB HIS 101 1HB HIS 101 7.919 -0.757 18.472
827 HD1 HIS 101 HD1 HIS 101 10.938 -3.102 18.284
828 HD2 HIS 101 HD2 HIS 101 6.798 -3.187 18.725
829 HE1 HIS 101 HE1 HIS 101 10.317 -5.538 18.441
830 HE2 HIS 101 HE2 HIS 101 7.821 -5.559 18.815
Start of MODEL 14
1 1H MET 1 1H MET 1 13.506 6.176 -27.776
2 2H MET 1 2H MET 1 13.421 5.770 -26.131
3 3H MET 1 3H MET 1 14.920 5.805 -26.921
4 HA MET 1 HA MET 1 14.549 7.743 -25.494
5 1HB MET 1 2HB MET 1 15.984 7.734 -27.591
6 2HB MET 1 1HB MET 1 14.631 8.487 -28.421
7 1HG MET 1 2HG MET 1 14.741 10.380 -26.865
8 2HG MET 1 1HG MET 1 16.121 9.628 -26.067
9 1HE MET 1 1HE MET 1 17.524 11.862 -26.401
10 2HE MET 1 2HE MET 1 16.135 12.604 -27.197
11 3HE MET 1 3HE MET 1 17.724 12.662 -27.959
12 H MET 2 H MET 2 11.803 6.673 -26.310
13 HA MET 2 HA MET 2 10.438 9.127 -27.077
14 1HB MET 2 2HB MET 2 8.455 7.798 -27.320
15 2HB MET 2 1HB MET 2 9.789 6.950 -28.089
16 1HG MET 2 2HG MET 2 9.959 5.432 -26.235
17 2HG MET 2 1HG MET 2 8.749 6.341 -25.329
18 1HE MET 2 1HE MET 2 6.175 6.521 -26.081
19 2HE MET 2 2HE MET 2 5.536 5.736 -27.526
20 3HE MET 2 3HE MET 2 6.691 7.060 -27.680
21 H PHE 3 H PHE 3 11.740 8.530 -24.364
22 HA PHE 3 HA PHE 3 9.649 8.509 -22.451
23 1HB PHE 3 2HB PHE 3 12.073 7.941 -22.003
24 2HB PHE 3 1HB PHE 3 12.422 9.664 -22.084
25 HD1 PHE 3 HD1 PHE 3 11.953 11.099 -20.256
26 HD2 PHE 3 HD2 PHE 3 10.612 7.060 -20.204
27 HE1 PHE 3 HE1 PHE 3 11.389 11.319 -17.874
28 HE2 PHE 3 HE2 PHE 3 10.041 7.278 -17.819
29 HZ PHE 3 HZ PHE 3 10.431 9.409 -16.651
30 H LEU 4 H LEU 4 8.438 10.132 -21.661
31 HA LEU 4 HA LEU 4 8.369 12.562 -23.158
32 1HB LEU 4 2HB LEU 4 6.759 11.591 -20.804
33 2HB LEU 4 1HB LEU 4 6.507 13.157 -21.548
34 HG LEU 4 HG LEU 4 4.857 11.765 -22.465
35 1HD1 LEU 4 1HD1 LEU 4 5.991 13.139 -24.122
36 2HD1 LEU 4 2HD1 LEU 4 5.416 11.631 -24.830
37 3HD1 LEU 4 3HD1 LEU 4 7.126 11.828 -24.445
38 1HD2 LEU 4 1HD2 LEU 4 5.325 9.574 -23.481
39 2HD2 LEU 4 2HD2 LEU 4 5.717 9.610 -21.761
40 3HD2 LEU 4 3HD2 LEU 4 7.005 9.706 -22.963
41 H ARG 5 H ARG 5 9.426 14.337 -22.794
42 HA ARG 5 HA ARG 5 10.419 16.094 -21.789
43 1HB ARG 5 2HB ARG 5 9.116 14.985 -19.301
44 2HB ARG 5 1HB ARG 5 10.022 16.493 -19.343
45 1HG ARG 5 2HG ARG 5 7.563 15.900 -20.975
46 2HG ARG 5 1HG ARG 5 7.601 16.839 -19.481
47 1HD ARG 5 2HD ARG 5 9.097 17.523 -22.007
48 2HD ARG 5 1HD ARG 5 7.584 18.261 -21.487
49 HE ARG 5 HE ARG 5 9.292 18.626 -19.371
50 1HH1 ARG 5 1HH1 ARG 5 9.421 19.389 -22.789
51 2HH1 ARG 5 2HH1 ARG 5 10.293 20.878 -22.557
52 1HH2 ARG 5 1HH2 ARG 5 10.453 20.570 -19.054
53 2HH2 ARG 5 2HH2 ARG 5 10.883 21.551 -20.425
54 H LYS 6 H LYS 6 10.937 14.722 -18.722
55 HA LYS 6 HA LYS 6 13.492 13.544 -19.361
56 1HB LYS 6 2HB LYS 6 13.288 16.117 -17.772
57 2HB LYS 6 1HB LYS 6 14.707 15.081 -17.772
58 1HG LYS 6 2HG LYS 6 14.983 15.441 -20.162
59 2HG LYS 6 1HG LYS 6 13.543 16.460 -20.177
60 1HD LYS 6 2HD LYS 6 14.630 18.039 -18.684
61 2HD LYS 6 1HD LYS 6 16.058 17.005 -18.607
62 1HE LYS 6 2HE LYS 6 14.962 18.332 -21.084
63 2HE LYS 6 1HE LYS 6 16.379 18.855 -20.173
64 1HZ LYS 6 1HZ LYS 6 16.071 16.275 -21.619
65 2HZ LYS 6 2HZ LYS 6 17.414 16.704 -20.674
66 3HZ LYS 6 3HZ LYS 6 17.053 17.578 -22.083
67 H VAL 7 H VAL 7 14.600 12.945 -17.188
68 HA VAL 7 HA VAL 7 12.542 11.661 -15.564
69 HB VAL 7 HB VAL 7 15.512 11.291 -15.219
70 1HG1 VAL 7 1HG1 VAL 7 14.043 10.324 -13.519
71 2HG1 VAL 7 2HG1 VAL 7 14.858 9.066 -14.449
72 3HG1 VAL 7 3HG1 VAL 7 13.168 9.446 -14.772
73 1HG2 VAL 7 1HG2 VAL 7 15.078 10.985 -17.589
74 2HG2 VAL 7 2HG2 VAL 7 13.749 9.887 -17.222
75 3HG2 VAL 7 3HG2 VAL 7 15.405 9.431 -16.823
76 H GLU 8 H GLU 8 13.105 14.538 -15.431
77 HA GLU 8 HA GLU 8 14.174 14.868 -12.738
78 1HB GLU 8 2HB GLU 8 13.270 16.880 -14.801
79 2HB GLU 8 1HB GLU 8 13.790 17.316 -13.181
80 1HG GLU 8 2HG GLU 8 15.976 16.196 -13.689
81 2HG GLU 8 1HG GLU 8 15.423 16.051 -15.357
82 H GLY 9 H GLY 9 12.716 14.093 -11.359
83 1HA GLY 9 2HA GLY 9 10.919 14.320 -9.927
84 2HA GLY 9 1HA GLY 9 10.333 15.648 -10.910
85 HA PRO 10 HA PRO 10 8.276 11.902 -12.937
86 1HB PRO 10 2HB PRO 10 9.240 9.414 -12.683
87 2HB PRO 10 1HB PRO 10 9.913 10.550 -13.859
88 1HG PRO 10 2HG PRO 10 10.974 9.729 -11.191
89 2HG PRO 10 1HG PRO 10 11.850 10.050 -12.696
90 1HD PRO 10 2HD PRO 10 11.611 11.834 -10.598
91 2HD PRO 10 1HD PRO 10 11.988 12.281 -12.269
92 H ARG 11 H ARG 11 6.970 12.601 -11.094
93 HA ARG 11 HA ARG 11 7.065 11.275 -8.599
94 1HB ARG 11 2HB ARG 11 4.894 12.989 -9.806
95 2HB ARG 11 1HB ARG 11 4.970 12.493 -8.120
96 1HG ARG 11 2HG ARG 11 6.976 14.215 -9.563
97 2HG ARG 11 1HG ARG 11 5.793 14.752 -8.368
98 1HD ARG 11 2HD ARG 11 8.020 12.782 -7.854
99 2HD ARG 11 1HD ARG 11 8.043 14.487 -7.404
100 HE ARG 11 HE ARG 11 6.016 13.920 -6.010
101 1HH1 ARG 11 1HH1 ARG 11 8.491 11.530 -6.749
102 2HH1 ARG 11 2HH1 ARG 11 8.172 10.598 -5.318
103 1HH2 ARG 11 1HH2 ARG 11 5.638 12.697 -4.128
104 2HH2 ARG 11 2HH2 ARG 11 6.560 11.248 -3.837
105 H SER 12 H SER 12 5.518 10.488 -11.564
106 HA SER 12 HA SER 12 3.621 8.645 -10.497
107 1HB SER 12 2HB SER 12 3.783 7.698 -12.886
108 2HB SER 12 1HB SER 12 3.227 9.366 -12.723
109 HG SER 12 HG SER 12 5.875 8.527 -13.328
110 H VAL 13 H VAL 13 4.221 6.918 -9.330
111 HA VAL 13 HA VAL 13 6.949 6.081 -9.296
112 HB VAL 13 HB VAL 13 6.203 4.380 -7.637
113 1HG1 VAL 13 1HG1 VAL 13 5.288 7.210 -7.135
114 2HG1 VAL 13 2HG1 VAL 13 6.925 6.588 -6.923
115 3HG1 VAL 13 3HG1 VAL 13 5.620 6.003 -5.893
116 1HG2 VAL 13 1HG2 VAL 13 3.486 5.623 -8.072
117 2HG2 VAL 13 2HG2 VAL 13 3.903 4.504 -6.773
118 3HG2 VAL 13 3HG2 VAL 13 3.951 3.964 -8.452
119 H THR 14 H THR 14 7.910 4.501 -10.311
120 HA THR 14 HA THR 14 6.308 2.783 -12.047
121 HB THR 14 HB THR 14 9.316 3.113 -12.015
122 HG1 THR 14 HG1 THR 14 7.498 4.895 -12.707
123 1HG2 THR 14 1HG2 THR 14 9.180 2.197 -14.284
124 2HG2 THR 14 2HG2 THR 14 7.428 2.058 -14.134
125 3HG2 THR 14 3HG2 THR 14 8.480 1.072 -13.119
126 H LEU 15 H LEU 15 5.685 0.962 -11.063
127 HA LEU 15 HA LEU 15 7.173 -0.250 -8.940
128 1HB LEU 15 2HB LEU 15 4.887 -1.346 -10.581
129 2HB LEU 15 1HB LEU 15 5.483 -2.025 -9.080
130 HG LEU 15 HG LEU 15 4.199 0.691 -9.364
131 1HD1 LEU 15 1HD1 LEU 15 2.326 -0.322 -8.144
132 2HD1 LEU 15 2HD1 LEU 15 3.122 -1.891 -8.249
133 3HD1 LEU 15 3HD1 LEU 15 2.586 -1.075 -9.718
134 1HD2 LEU 15 1HD2 LEU 15 5.820 0.618 -7.552
135 2HD2 LEU 15 2HD2 LEU 15 5.062 -0.839 -6.916
136 3HD2 LEU 15 3HD2 LEU 15 4.176 0.685 -6.917
137 HA PRO 16 HA PRO 16 9.882 -2.958 -11.221
138 1HB PRO 16 2HB PRO 16 9.660 -5.262 -9.726
139 2HB PRO 16 1HB PRO 16 10.682 -3.887 -9.294
140 1HG PRO 16 2HG PRO 16 7.950 -4.599 -8.312
141 2HG PRO 16 1HG PRO 16 9.342 -3.987 -7.399
142 1HD PRO 16 2HD PRO 16 7.308 -2.383 -8.097
143 2HD PRO 16 1HD PRO 16 8.985 -1.799 -8.089
144 H ASP 17 H ASP 17 6.594 -3.455 -10.877
145 HA ASP 17 HA ASP 17 6.302 -5.840 -12.434
146 1HB ASP 17 2HB ASP 17 4.465 -5.455 -11.057
147 2HB ASP 17 1HB ASP 17 4.466 -3.723 -11.372
148 H GLY 18 H GLY 18 6.101 -2.359 -13.043
149 1HA GLY 18 2HA GLY 18 6.953 -1.718 -15.318
150 2HA GLY 18 1HA GLY 18 5.851 -2.943 -15.925
151 H SER 19 H SER 19 3.858 -2.167 -13.817
152 HA SER 19 HA SER 19 2.572 -0.081 -15.325
153 1HB SER 19 2HB SER 19 1.348 -2.018 -14.299
154 2HB SER 19 1HB SER 19 1.695 -1.334 -12.711
155 HG SER 19 HG SER 19 0.529 0.407 -14.527
156 H ILE 20 H ILE 20 2.355 2.028 -14.811
157 HA ILE 20 HA ILE 20 3.830 2.985 -12.465
158 HB ILE 20 HB ILE 20 3.539 5.261 -13.557
159 1HG1 ILE 20 2HG1 ILE 20 3.336 4.941 -16.160
160 2HG1 ILE 20 1HG1 ILE 20 2.425 3.502 -15.718
161 1HG2 ILE 20 1HG2 ILE 20 5.392 4.887 -15.114
162 2HG2 ILE 20 2HG2 ILE 20 5.119 3.149 -15.008
163 3HG2 ILE 20 3HG2 ILE 20 5.635 4.048 -13.581
164 1HD1 ILE 20 1HD1 ILE 20 0.952 5.370 -16.155
165 2HD1 ILE 20 2HD1 ILE 20 1.768 6.331 -14.920
166 3HD1 ILE 20 3HD1 ILE 20 0.857 4.892 -14.461
167 H MET 21 H MET 21 2.926 4.301 -10.922
168 HA MET 21 HA MET 21 -0.005 4.548 -11.038
169 1HB MET 21 2HB MET 21 1.722 3.752 -8.698
170 2HB MET 21 1HB MET 21 0.065 4.303 -8.511
171 1HG MET 21 2HG MET 21 -0.675 2.445 -9.955
172 2HG MET 21 1HG MET 21 0.989 1.872 -10.022
173 1HE MET 21 1HE MET 21 -2.048 2.657 -7.633
174 2HE MET 21 2HE MET 21 -0.702 3.548 -6.920
175 3HE MET 21 3HE MET 21 -1.387 2.157 -6.078
176 H THR 22 H THR 22 -0.814 6.488 -10.659
177 HA THR 22 HA THR 22 0.964 8.557 -9.530
178 HB THR 22 HB THR 22 -0.502 10.207 -10.610
179 HG1 THR 22 HG1 THR 22 -1.880 7.878 -11.537
180 1HG2 THR 22 1HG2 THR 22 1.430 9.416 -11.860
181 2HG2 THR 22 2HG2 THR 22 0.084 9.747 -12.950
182 3HG2 THR 22 3HG2 THR 22 0.479 8.083 -12.520
183 H ARG 23 H ARG 23 -0.605 10.395 -8.527
184 HA ARG 23 HA ARG 23 -2.038 9.034 -6.413
185 1HB ARG 23 2HB ARG 23 -0.559 11.258 -6.359
186 2HB ARG 23 1HB ARG 23 -2.117 12.005 -6.675
187 1HG ARG 23 2HG ARG 23 -1.838 10.038 -4.439
188 2HG ARG 23 1HG ARG 23 -1.296 11.703 -4.230
189 1HD ARG 23 2HD ARG 23 -3.411 12.546 -4.314
190 2HD ARG 23 1HD ARG 23 -3.995 11.265 -5.368
191 HE ARG 23 HE ARG 23 -3.513 10.882 -2.480
192 1HH1 ARG 23 1HH1 ARG 23 -5.395 10.409 -5.378
193 2HH1 ARG 23 2HH1 ARG 23 -6.601 9.429 -4.612
194 1HH2 ARG 23 1HH2 ARG 23 -5.130 9.587 -1.429
195 2HH2 ARG 23 2HH2 ARG 23 -6.443 8.957 -2.369
196 H ALA 24 H ALA 24 -2.825 9.607 -9.468
197 HA ALA 24 HA ALA 24 -5.619 10.287 -8.981
198 1HB ALA 24 1HB ALA 24 -4.523 11.196 -10.978
199 2HB ALA 24 2HB ALA 24 -5.869 10.142 -11.409
200 3HB ALA 24 3HB ALA 24 -4.211 9.559 -11.551
201 H ASP 25 H ASP 25 -3.541 7.572 -9.535
202 HA ASP 25 HA ASP 25 -5.626 5.657 -10.043
203 1HB ASP 25 2HB ASP 25 -2.742 5.220 -9.214
204 2HB ASP 25 1HB ASP 25 -3.836 3.980 -9.811
205 H LEU 26 H LEU 26 -3.758 6.790 -7.323
206 HA LEU 26 HA LEU 26 -4.513 4.834 -5.432
207 1HB LEU 26 2HB LEU 26 -2.644 6.694 -5.421
208 2HB LEU 26 1HB LEU 26 -3.887 7.670 -4.670
209 HG LEU 26 HG LEU 26 -2.301 6.620 -3.067
210 1HD1 LEU 26 1HD1 LEU 26 -5.161 5.725 -2.780
211 2HD1 LEU 26 2HD1 LEU 26 -4.517 7.303 -2.327
212 3HD1 LEU 26 3HD1 LEU 26 -3.978 5.853 -1.480
213 1HD2 LEU 26 1HD2 LEU 26 -3.594 4.063 -3.988
214 2HD2 LEU 26 2HD2 LEU 26 -2.537 4.225 -2.585
215 3HD2 LEU 26 3HD2 LEU 26 -1.907 4.527 -4.204
216 HA PRO 27 HA PRO 27 -8.860 5.815 -4.940
217 1HB PRO 27 2HB PRO 27 -8.211 4.650 -2.260
218 2HB PRO 27 1HB PRO 27 -9.575 4.309 -3.332
219 1HG PRO 27 2HG PRO 27 -7.568 2.597 -3.213
220 2HG PRO 27 1HG PRO 27 -8.271 3.022 -4.778
221 1HD PRO 27 2HD PRO 27 -5.711 3.945 -3.548
222 2HD PRO 27 1HD PRO 27 -6.069 3.550 -5.242
223 HA PRO 28 HA PRO 28 -8.672 9.834 -2.952
224 1HB PRO 28 2HB PRO 28 -11.588 9.236 -2.701
225 2HB PRO 28 1HB PRO 28 -10.790 10.691 -3.302
226 1HG PRO 28 2HG PRO 28 -11.892 8.967 -4.994
227 2HG PRO 28 1HG PRO 28 -10.347 9.749 -5.377
228 1HD PRO 28 2HD PRO 28 -10.887 6.959 -4.481
229 2HD PRO 28 1HD PRO 28 -9.649 7.568 -5.596
230 H ALA 29 H ALA 29 -11.000 7.513 -1.642
231 HA ALA 29 HA ALA 29 -9.752 7.550 0.957
232 1HB ALA 29 1HB ALA 29 -11.180 9.530 1.105
233 2HB ALA 29 2HB ALA 29 -11.776 8.245 2.157
234 3HB ALA 29 3HB ALA 29 -12.576 8.566 0.619
235 H ASN 30 H ASN 30 -12.673 6.669 -0.869
236 HA ASN 30 HA ASN 30 -12.386 3.922 0.169
237 1HB ASN 30 2HB ASN 30 -14.789 3.691 0.296
238 2HB ASN 30 1HB ASN 30 -14.319 5.117 1.217
239 1HD2 ASN 30 1HD2 ASN 30 -16.861 4.350 -0.092
240 2HD2 ASN 30 2HD2 ASN 30 -17.249 5.677 -1.136
241 H THR 31 H THR 31 -12.095 5.759 -2.428
242 HA THR 31 HA THR 31 -12.212 5.670 -4.642
243 HB THR 31 HB THR 31 -10.891 3.541 -4.213
244 HG1 THR 31 HG1 THR 31 -11.727 4.657 -6.394
245 1HG2 THR 31 1HG2 THR 31 -11.900 1.433 -4.960
246 2HG2 THR 31 2HG2 THR 31 -13.474 2.225 -5.060
247 3HG2 THR 31 3HG2 THR 31 -12.675 2.039 -3.498
248 H ARG 32 H ARG 32 -14.601 3.307 -3.426
249 HA ARG 32 HA ARG 32 -16.848 4.692 -4.228
250 1HB ARG 32 2HB ARG 32 -15.866 4.225 -6.551
251 2HB ARG 32 1HB ARG 32 -16.249 2.533 -6.261
252 1HG ARG 32 2HG ARG 32 -18.367 4.625 -5.999
253 2HG ARG 32 1HG ARG 32 -17.905 4.015 -7.585
254 1HD ARG 32 2HD ARG 32 -18.552 1.811 -7.032
255 2HD ARG 32 1HD ARG 32 -18.689 2.204 -5.319
256 HE ARG 32 HE ARG 32 -20.664 3.509 -5.858
257 1HH1 ARG 32 1HH1 ARG 32 -19.495 1.401 -8.403
258 2HH1 ARG 32 2HH1 ARG 32 -21.057 1.213 -9.140
259 1HH2 ARG 32 1HH2 ARG 32 -22.699 3.279 -6.812
260 2HH2 ARG 32 2HH2 ARG 32 -22.892 2.292 -8.233
261 H ARG 33 H ARG 33 -15.777 1.324 -4.656
262 HA ARG 33 HA ARG 33 -17.450 0.554 -2.371
263 1HB ARG 33 2HB ARG 33 -18.726 0.185 -4.474
264 2HB ARG 33 1HB ARG 33 -17.446 -0.881 -5.033
265 1HG ARG 33 2HG ARG 33 -17.887 -2.355 -3.092
266 2HG ARG 33 1HG ARG 33 -19.242 -1.311 -2.657
267 1HD ARG 33 2HD ARG 33 -18.944 -2.738 -5.291
268 2HD ARG 33 1HD ARG 33 -19.922 -3.313 -3.941
269 HE ARG 33 HE ARG 33 -21.152 -1.107 -4.221
270 1HH1 ARG 33 1HH1 ARG 33 -19.488 -2.633 -6.908
271 2HH1 ARG 33 2HH1 ARG 33 -20.660 -2.118 -8.086
272 1HH2 ARG 33 1HH2 ARG 33 -22.669 -0.398 -5.774
273 2HH2 ARG 33 2HH2 ARG 33 -22.459 -0.835 -7.442
274 H TRP 34 H TRP 34 -14.508 0.670 -3.626
275 HA TRP 34 HA TRP 34 -12.521 -0.350 -3.293
276 1HB TRP 34 2HB TRP 34 -14.123 -1.708 -1.140
277 2HB TRP 34 1HB TRP 34 -12.442 -2.125 -1.438
278 HD1 TRP 34 HD1 TRP 34 -14.471 0.121 0.609
279 HE1 TRP 34 HE1 TRP 34 -13.021 1.984 1.645
280 HE3 TRP 34 HE3 TRP 34 -10.286 -0.447 -2.262
281 HZ2 TRP 34 HZ2 TRP 34 -10.439 3.061 1.271
282 HZ3 TRP 34 HZ3 TRP 34 -8.371 1.038 -1.863
283 HH2 TRP 34 HH2 TRP 34 -8.445 2.756 -0.130
284 H VAL 35 H VAL 35 -12.341 -1.306 -5.311
285 HA VAL 35 HA VAL 35 -13.136 -4.089 -5.570
286 HB VAL 35 HB VAL 35 -11.987 -3.994 -7.784
287 1HG1 VAL 35 1HG1 VAL 35 -14.027 -1.827 -7.302
288 2HG1 VAL 35 2HG1 VAL 35 -14.372 -3.532 -7.592
289 3HG1 VAL 35 3HG1 VAL 35 -13.637 -2.553 -8.863
290 1HG2 VAL 35 1HG2 VAL 35 -11.597 -1.082 -7.101
291 2HG2 VAL 35 2HG2 VAL 35 -11.301 -1.824 -8.674
292 3HG2 VAL 35 3HG2 VAL 35 -10.322 -2.290 -7.284
293 H ALA 36 H ALA 36 -11.673 -5.812 -5.702
294 HA ALA 36 HA ALA 36 -9.721 -5.850 -3.746
295 1HB ALA 36 1HB ALA 36 -9.928 -7.665 -6.144
296 2HB ALA 36 2HB ALA 36 -10.791 -7.857 -4.619
297 3HB ALA 36 3HB ALA 36 -9.035 -8.005 -4.664
298 H SER 37 H SER 37 -9.248 -5.553 -7.255
299 HA SER 37 HA SER 37 -6.473 -5.562 -7.272
300 1HB SER 37 2HB SER 37 -8.299 -4.041 -9.143
301 2HB SER 37 1HB SER 37 -6.640 -4.537 -9.475
302 HG SER 37 HG SER 37 -8.612 -5.898 -10.179
303 H ARG 38 H ARG 38 -8.692 -2.936 -6.507
304 HA ARG 38 HA ARG 38 -6.565 -0.976 -6.704
305 1HB ARG 38 2HB ARG 38 -9.107 -0.642 -7.266
306 2HB ARG 38 1HB ARG 38 -9.230 -0.308 -5.543
307 1HG ARG 38 2HG ARG 38 -7.791 1.541 -5.684
308 2HG ARG 38 1HG ARG 38 -7.222 1.076 -7.286
309 1HD ARG 38 2HD ARG 38 -9.600 1.439 -8.080
310 2HD ARG 38 1HD ARG 38 -9.900 2.201 -6.517
311 HE ARG 38 HE ARG 38 -7.740 3.542 -7.376
312 1HH1 ARG 38 1HH1 ARG 38 -10.773 2.782 -8.955
313 2HH1 ARG 38 2HH1 ARG 38 -10.719 4.164 -9.997
314 1HH2 ARG 38 1HH2 ARG 38 -7.675 5.360 -8.745
315 2HH2 ARG 38 2HH2 ARG 38 -8.952 5.618 -9.893
316 H LYS 39 H LYS 39 -8.152 -2.856 -4.227
317 HA LYS 39 HA LYS 39 -7.171 -1.496 -1.963
318 1HB LYS 39 2HB LYS 39 -7.704 -4.427 -2.472
319 2HB LYS 39 1HB LYS 39 -7.138 -3.838 -0.919
320 1HG LYS 39 2HG LYS 39 -9.136 -2.487 -0.666
321 2HG LYS 39 1HG LYS 39 -9.699 -2.992 -2.262
322 1HD LYS 39 2HD LYS 39 -9.895 -5.275 -1.533
323 2HD LYS 39 1HD LYS 39 -9.141 -4.893 0.015
324 1HE LYS 39 2HE LYS 39 -11.733 -3.681 -0.918
325 2HE LYS 39 1HE LYS 39 -11.647 -5.146 0.054
326 1HZ LYS 39 1HZ LYS 39 -12.024 -3.136 1.393
327 2HZ LYS 39 2HZ LYS 39 -10.538 -2.511 0.869
328 3HZ LYS 39 3HZ LYS 39 -10.579 -3.917 1.813
329 H ILE 40 H ILE 40 -5.784 -4.107 -3.884
330 HA ILE 40 HA ILE 40 -3.273 -4.257 -2.684
331 HB ILE 40 HB ILE 40 -4.375 -5.007 -5.359
332 1HG1 ILE 40 2HG1 ILE 40 -3.580 -7.259 -4.639
333 2HG1 ILE 40 1HG1 ILE 40 -3.013 -6.541 -3.138
334 1HG2 ILE 40 1HG2 ILE 40 -2.224 -5.895 -6.094
335 2HG2 ILE 40 2HG2 ILE 40 -1.445 -5.169 -4.688
336 3HG2 ILE 40 3HG2 ILE 40 -2.176 -4.140 -5.917
337 1HD1 ILE 40 1HD1 ILE 40 -5.128 -7.662 -2.817
338 2HD1 ILE 40 2HD1 ILE 40 -5.868 -6.677 -4.078
339 3HD1 ILE 40 3HD1 ILE 40 -5.317 -5.923 -2.580
340 H ALA 41 H ALA 41 -4.528 -2.106 -5.164
341 HA ALA 41 HA ALA 41 -2.057 -0.937 -5.886
342 1HB ALA 41 1HB ALA 41 -4.079 -0.763 -7.275
343 2HB ALA 41 2HB ALA 41 -3.374 0.816 -6.927
344 3HB ALA 41 3HB ALA 41 -4.813 0.281 -6.057
345 H VAL 42 H VAL 42 -4.328 -0.308 -3.270
346 HA VAL 42 HA VAL 42 -3.347 2.246 -2.554
347 HB VAL 42 HB VAL 42 -4.558 0.242 -0.643
348 1HG1 VAL 42 1HG1 VAL 42 -4.485 3.257 -0.593
349 2HG1 VAL 42 2HG1 VAL 42 -3.488 2.187 0.396
350 3HG1 VAL 42 3HG1 VAL 42 -5.239 2.211 0.612
351 1HG2 VAL 42 1HG2 VAL 42 -6.021 0.515 -2.562
352 2HG2 VAL 42 2HG2 VAL 42 -5.944 2.269 -2.385
353 3HG2 VAL 42 3HG2 VAL 42 -6.706 1.287 -1.133
354 H VAL 43 H VAL 43 -2.662 -0.981 -1.158
355 HA VAL 43 HA VAL 43 -0.746 -0.073 0.683
356 HB VAL 43 HB VAL 43 0.186 -2.494 0.479
357 1HG1 VAL 43 1HG1 VAL 43 -1.107 -1.748 2.350
358 2HG1 VAL 43 2HG1 VAL 43 -1.720 -3.322 1.837
359 3HG1 VAL 43 3HG1 VAL 43 -2.598 -1.853 1.418
360 1HG2 VAL 43 1HG2 VAL 43 -2.410 -2.750 -1.032
361 2HG2 VAL 43 2HG2 VAL 43 -1.450 -4.096 -0.417
362 3HG2 VAL 43 3HG2 VAL 43 -0.795 -3.044 -1.673
363 H ARG 44 H ARG 44 -0.349 -1.089 -2.679
364 HA ARG 44 HA ARG 44 2.489 -0.899 -2.651
365 1HB ARG 44 2HB ARG 44 0.492 -0.806 -4.915
366 2HB ARG 44 1HB ARG 44 2.234 -0.775 -5.160
367 1HG ARG 44 2HG ARG 44 2.440 -2.958 -4.107
368 2HG ARG 44 1HG ARG 44 0.700 -2.988 -3.806
369 1HD ARG 44 2HD ARG 44 0.244 -2.992 -6.173
370 2HD ARG 44 1HD ARG 44 1.956 -2.791 -6.543
371 HE ARG 44 HE ARG 44 1.907 -5.086 -5.116
372 1HH1 ARG 44 1HH1 ARG 44 0.078 -3.993 -7.886
373 2HH1 ARG 44 2HH1 ARG 44 -0.121 -5.586 -8.554
374 1HH2 ARG 44 1HH2 ARG 44 1.695 -7.181 -5.985
375 2HH2 ARG 44 2HH2 ARG 44 0.826 -7.401 -7.475
376 H GLY 45 H GLY 45 -0.120 1.326 -3.490
377 1HA GLY 45 2HA GLY 45 1.482 3.389 -4.535
378 2HA GLY 45 1HA GLY 45 -0.147 3.575 -3.907
379 H VAL 46 H VAL 46 0.391 2.773 -1.208
380 HA VAL 46 HA VAL 46 1.577 5.261 -0.341
381 HB VAL 46 HB VAL 46 0.949 4.537 1.969
382 1HG1 VAL 46 1HG1 VAL 46 -0.504 5.948 0.628
383 2HG1 VAL 46 2HG1 VAL 46 -1.454 4.850 1.630
384 3HG1 VAL 46 3HG1 VAL 46 -1.251 4.523 -0.091
385 1HG2 VAL 46 1HG2 VAL 46 1.000 2.105 1.645
386 2HG2 VAL 46 2HG2 VAL 46 -0.377 2.222 0.549
387 3HG2 VAL 46 3HG2 VAL 46 -0.568 2.640 2.252
388 H ILE 47 H ILE 47 2.195 1.836 0.496
389 HA ILE 47 HA ILE 47 4.367 2.422 2.183
390 HB ILE 47 HB ILE 47 3.707 -0.176 0.784
391 1HG1 ILE 47 2HG1 ILE 47 2.967 0.804 3.553
392 2HG1 ILE 47 1HG1 ILE 47 1.873 0.729 2.178
393 1HG2 ILE 47 1HG2 ILE 47 5.990 -0.192 1.603
394 2HG2 ILE 47 2HG2 ILE 47 4.975 -1.244 2.591
395 3HG2 ILE 47 3HG2 ILE 47 5.446 0.345 3.194
396 1HD1 ILE 47 1HD1 ILE 47 1.518 -1.140 3.666
397 2HD1 ILE 47 2HD1 ILE 47 3.209 -1.613 3.514
398 3HD1 ILE 47 3HD1 ILE 47 2.138 -1.704 2.114
399 H TYR 48 H TYR 48 4.225 1.657 -1.246
400 HA TYR 48 HA TYR 48 7.149 1.622 -1.383
401 1HB TYR 48 2HB TYR 48 5.742 -0.162 -2.500
402 2HB TYR 48 1HB TYR 48 5.165 1.079 -3.601
403 HD1 TYR 48 HD1 TYR 48 7.980 -1.049 -2.670
404 HD2 TYR 48 HD2 TYR 48 6.651 2.008 -5.314
405 HE1 TYR 48 HE1 TYR 48 9.889 -1.503 -4.149
406 HE2 TYR 48 HE2 TYR 48 8.563 1.563 -6.797
407 HH TYR 48 HH TYR 48 10.825 0.574 -6.644
408 H GLY 49 H GLY 49 4.412 3.605 -2.094
409 1HA GLY 49 2HA GLY 49 5.945 5.208 -4.008
410 2HA GLY 49 1HA GLY 49 4.206 5.230 -3.823
411 H LEU 50 H LEU 50 3.537 6.023 -1.467
412 HA LEU 50 HA LEU 50 4.824 8.665 -1.443
413 1HB LEU 50 2HB LEU 50 1.980 7.847 -0.960
414 2HB LEU 50 1HB LEU 50 2.580 9.414 -0.462
415 HG LEU 50 HG LEU 50 3.306 9.615 -2.975
416 1HD1 LEU 50 1HD1 LEU 50 2.754 7.354 -3.652
417 2HD1 LEU 50 2HD1 LEU 50 1.728 8.517 -4.494
418 3HD1 LEU 50 3HD1 LEU 50 1.082 7.592 -3.140
419 1HD2 LEU 50 1HD2 LEU 50 0.446 9.858 -2.066
420 2HD2 LEU 50 2HD2 LEU 50 1.144 10.637 -3.487
421 3HD2 LEU 50 3HD2 LEU 50 1.713 11.071 -1.875
422 H ILE 51 H ILE 51 2.752 6.925 0.905
423 HA ILE 51 HA ILE 51 4.414 8.167 2.994
424 HB ILE 51 HB ILE 51 2.346 8.452 4.337
425 1HG1 ILE 51 2HG1 ILE 51 0.958 7.699 1.749
426 2HG1 ILE 51 1HG1 ILE 51 0.982 6.737 3.219
427 1HG2 ILE 51 1HG2 ILE 51 1.524 10.411 3.115
428 2HG2 ILE 51 2HG2 ILE 51 2.360 9.857 1.664
429 3HG2 ILE 51 3HG2 ILE 51 3.285 10.319 3.092
430 1HD1 ILE 51 1HD1 ILE 51 -0.254 8.481 4.384
431 2HD1 ILE 51 2HD1 ILE 51 -1.120 7.907 2.957
432 3HD1 ILE 51 3HD1 ILE 51 -0.269 9.453 2.912
433 H THR 52 H THR 52 4.185 7.208 5.148
434 HA THR 52 HA THR 52 4.311 4.331 5.035
435 HB THR 52 HB THR 52 4.823 4.499 7.461
436 HG1 THR 52 HG1 THR 52 4.910 7.314 7.199
437 1HG2 THR 52 1HG2 THR 52 6.631 4.661 5.809
438 2HG2 THR 52 2HG2 THR 52 6.968 5.653 7.226
439 3HG2 THR 52 3HG2 THR 52 6.405 6.407 5.734
440 H LEU 53 H LEU 53 3.233 3.281 7.173
441 HA LEU 53 HA LEU 53 0.410 3.478 6.721
442 1HB LEU 53 2HB LEU 53 1.492 1.329 7.197
443 2HB LEU 53 1HB LEU 53 1.963 1.906 8.781
444 HG LEU 53 HG LEU 53 -0.392 2.036 9.450
445 1HD1 LEU 53 1HD1 LEU 53 -2.138 1.106 8.018
446 2HD1 LEU 53 2HD1 LEU 53 -0.962 0.889 6.721
447 3HD1 LEU 53 3HD1 LEU 53 -1.376 2.511 7.273
448 1HD2 LEU 53 1HD2 LEU 53 -0.836 -0.379 9.493
449 2HD2 LEU 53 2HD2 LEU 53 0.843 -0.003 9.885
450 3HD2 LEU 53 3HD2 LEU 53 0.426 -0.621 8.287
451 H ALA 54 H ALA 54 2.559 5.210 8.613
452 HA ALA 54 HA ALA 54 0.941 5.772 10.866
453 1HB ALA 54 1HB ALA 54 3.051 7.500 9.577
454 2HB ALA 54 2HB ALA 54 3.329 6.278 10.817
455 3HB ALA 54 3HB ALA 54 2.378 7.714 11.193
456 H GLU 55 H GLU 55 1.586 7.780 7.983
457 HA GLU 55 HA GLU 55 -0.568 9.558 8.471
458 1HB GLU 55 2HB GLU 55 1.447 10.053 7.053
459 2HB GLU 55 1HB GLU 55 0.780 8.988 5.824
460 1HG GLU 55 2HG GLU 55 0.296 11.274 5.264
461 2HG GLU 55 1HG GLU 55 -1.201 10.437 5.674
462 H ALA 56 H ALA 56 -0.202 6.642 6.520
463 HA ALA 56 HA ALA 56 -2.767 6.741 5.301
464 1HB ALA 56 1HB ALA 56 -1.020 4.332 5.801
465 2HB ALA 56 2HB ALA 56 -0.894 5.409 4.411
466 3HB ALA 56 3HB ALA 56 -2.352 4.445 4.651
467 H LYS 57 H LYS 57 -1.824 6.003 8.509
468 HA LYS 57 HA LYS 57 -4.215 4.435 9.033
469 1HB LYS 57 2HB LYS 57 -1.958 4.184 10.241
470 2HB LYS 57 1HB LYS 57 -2.402 5.645 11.108
471 1HG LYS 57 2HG LYS 57 -4.468 4.485 11.863
472 2HG LYS 57 1HG LYS 57 -3.848 3.010 11.122
473 1HD LYS 57 2HD LYS 57 -2.545 4.588 13.339
474 2HD LYS 57 1HD LYS 57 -3.366 3.039 13.505
475 1HE LYS 57 2HE LYS 57 -1.090 2.491 13.474
476 2HE LYS 57 1HE LYS 57 -1.646 2.145 11.839
477 1HZ LYS 57 1HZ LYS 57 0.517 3.353 12.000
478 2HZ LYS 57 2HZ LYS 57 -0.331 4.694 12.608
479 3HZ LYS 57 3HZ LYS 57 -0.647 4.125 11.043
480 H GLN 58 H GLN 58 -2.913 7.635 9.689
481 HA GLN 58 HA GLN 58 -5.022 8.590 11.273
482 1HB GLN 58 2HB GLN 58 -3.125 10.135 9.488
483 2HB GLN 58 1HB GLN 58 -4.096 10.820 10.788
484 1HG GLN 58 2HG GLN 58 -2.900 9.508 12.424
485 2HG GLN 58 1HG GLN 58 -1.984 8.705 11.152
486 1HE2 GLN 58 1HE2 GLN 58 -1.663 11.204 9.620
487 2HE2 GLN 58 2HE2 GLN 58 -0.474 12.118 10.483
488 H THR 59 H THR 59 -4.521 8.597 7.783
489 HA THR 59 HA THR 59 -7.108 9.926 7.433
490 HB THR 59 HB THR 59 -5.026 9.314 5.327
491 HG1 THR 59 HG1 THR 59 -4.110 10.822 6.676
492 1HG2 THR 59 1HG2 THR 59 -6.246 11.003 4.013
493 2HG2 THR 59 2HG2 THR 59 -7.436 11.141 5.309
494 3HG2 THR 59 3HG2 THR 59 -7.272 9.626 4.418
495 H TYR 60 H TYR 60 -5.374 6.992 6.336
496 HA TYR 60 HA TYR 60 -7.877 6.038 5.158
497 1HB TYR 60 2HB TYR 60 -5.054 5.238 4.462
498 2HB TYR 60 1HB TYR 60 -6.510 4.609 3.707
499 HD1 TYR 60 HD1 TYR 60 -4.187 7.407 3.872
500 HD2 TYR 60 HD2 TYR 60 -7.864 6.032 2.237
501 HE1 TYR 60 HE1 TYR 60 -4.132 9.230 2.222
502 HE2 TYR 60 HE2 TYR 60 -7.815 7.844 0.580
503 HH TYR 60 HH TYR 60 -6.838 10.013 0.251
504 H GLY 61 H GLY 61 -6.859 5.737 7.996
505 1HA GLY 61 2HA GLY 61 -5.507 3.453 8.566
506 2HA GLY 61 1HA GLY 61 -6.739 4.115 9.619
507 H LEU 62 H LEU 62 -8.948 3.589 7.824
508 HA LEU 62 HA LEU 62 -10.602 1.992 7.790
509 1HB LEU 62 2HB LEU 62 -8.578 -0.106 7.098
510 2HB LEU 62 1HB LEU 62 -10.197 0.120 6.471
511 HG LEU 62 HG LEU 62 -8.429 2.309 5.741
512 1HD1 LEU 62 1HD1 LEU 62 -6.711 0.607 5.819
513 2HD1 LEU 62 2HD1 LEU 62 -7.089 1.004 4.143
514 3HD1 LEU 62 3HD1 LEU 62 -7.713 -0.483 4.858
515 1HD2 LEU 62 1HD2 LEU 62 -10.636 1.804 4.736
516 2HD2 LEU 62 2HD2 LEU 62 -9.948 0.324 4.062
517 3HD2 LEU 62 3HD2 LEU 62 -9.329 1.898 3.557
518 H SER 63 H SER 63 -8.560 -0.654 8.287
519 HA SER 63 HA SER 63 -8.349 -0.517 11.148
520 1HB SER 63 2HB SER 63 -9.918 -2.760 9.827
521 2HB SER 63 1HB SER 63 -9.434 -2.717 11.522
522 HG SER 63 HG SER 63 -10.733 -0.445 10.846
523 H ASP 64 H ASP 64 -6.626 -1.901 11.850
524 HA ASP 64 HA ASP 64 -4.612 -2.316 9.980
525 1HB ASP 64 2HB ASP 64 -3.372 -3.472 11.675
526 2HB ASP 64 1HB ASP 64 -4.273 -2.181 12.460
527 H GLU 65 H GLU 65 -7.088 -4.540 11.114
528 HA GLU 65 HA GLU 65 -6.099 -6.871 9.890
529 1HB GLU 65 2HB GLU 65 -7.872 -6.777 11.639
530 2HB GLU 65 1HB GLU 65 -8.980 -6.146 10.429
531 1HG GLU 65 2HG GLU 65 -8.851 -8.185 9.174
532 2HG GLU 65 1HG GLU 65 -7.604 -8.815 10.250
533 H GLU 66 H GLU 66 -8.323 -4.371 8.723
534 HA GLU 66 HA GLU 66 -8.931 -5.492 6.223
535 1HB GLU 66 2HB GLU 66 -10.181 -3.596 7.085
536 2HB GLU 66 1HB GLU 66 -8.736 -2.606 7.113
537 1HG GLU 66 2HG GLU 66 -9.968 -1.887 5.253
538 2HG GLU 66 1HG GLU 66 -8.647 -2.852 4.609
539 H PHE 67 H PHE 67 -6.407 -3.216 7.199
540 HA PHE 67 HA PHE 67 -5.337 -2.789 4.641
541 1HB PHE 67 2HB PHE 67 -5.043 -1.285 6.612
542 2HB PHE 67 1HB PHE 67 -3.955 -2.474 7.315
543 HD1 PHE 67 HD1 PHE 67 -1.722 -2.811 6.402
544 HD2 PHE 67 HD2 PHE 67 -4.370 0.087 4.757
545 HE1 PHE 67 HE1 PHE 67 0.165 -1.761 5.224
546 HE2 PHE 67 HE2 PHE 67 -2.485 1.143 3.578
547 HZ PHE 67 HZ PHE 67 -0.215 0.218 3.812
548 H ASN 68 H ASN 68 -4.335 -4.971 7.293
549 HA ASN 68 HA ASN 68 -2.018 -5.844 5.884
550 1HB ASN 68 2HB ASN 68 -1.677 -7.460 7.646
551 2HB ASN 68 1HB ASN 68 -2.130 -5.921 8.352
552 1HD2 ASN 68 1HD2 ASN 68 -2.817 -6.779 10.267
553 2HD2 ASN 68 2HD2 ASN 68 -4.247 -7.745 10.409
554 H SER 69 H SER 69 -5.326 -6.809 5.806
555 HA SER 69 HA SER 69 -4.952 -9.406 4.759
556 1HB SER 69 2HB SER 69 -7.251 -7.463 4.459
557 2HB SER 69 1HB SER 69 -7.292 -9.131 3.887
558 HG SER 69 HG SER 69 -6.944 -8.238 6.567
559 H TRP 70 H TRP 70 -4.875 -6.214 3.331
560 HA TRP 70 HA TRP 70 -4.989 -7.081 0.616
561 1HB TRP 70 2HB TRP 70 -3.646 -4.581 1.674
562 2HB TRP 70 1HB TRP 70 -4.213 -4.861 0.033
563 HD1 TRP 70 HD1 TRP 70 -6.959 -6.196 1.829
564 HE1 TRP 70 HE1 TRP 70 -8.789 -4.462 2.338
565 HE3 TRP 70 HE3 TRP 70 -4.294 -1.928 0.929
566 HZ2 TRP 70 HZ2 TRP 70 -9.073 -1.654 2.311
567 HZ3 TRP 70 HZ3 TRP 70 -5.424 0.241 1.183
568 HH2 TRP 70 HH2 TRP 70 -7.765 0.372 1.857
569 H VAL 71 H VAL 71 -2.346 -6.344 2.841
570 HA VAL 71 HA VAL 71 -0.243 -6.921 1.025
571 HB VAL 71 HB VAL 71 -0.165 -7.028 4.043
572 1HG1 VAL 71 1HG1 VAL 71 2.228 -6.579 3.781
573 2HG1 VAL 71 2HG1 VAL 71 2.045 -6.643 2.028
574 3HG1 VAL 71 3HG1 VAL 71 1.764 -8.089 2.996
575 1HG2 VAL 71 1HG2 VAL 71 -1.003 -4.873 3.313
576 2HG2 VAL 71 2HG2 VAL 71 0.342 -4.709 2.185
577 3HG2 VAL 71 3HG2 VAL 71 0.642 -4.707 3.922
578 H SER 72 H SER 72 -1.899 -8.821 3.522
579 HA SER 72 HA SER 72 -0.360 -11.154 3.276
580 1HB SER 72 2HB SER 72 -3.191 -10.699 4.212
581 2HB SER 72 1HB SER 72 -2.393 -12.270 4.299
582 HG SER 72 HG SER 72 -1.963 -11.371 6.223
583 H ALA 73 H ALA 73 -3.041 -9.942 1.378
584 HA ALA 73 HA ALA 73 -3.533 -12.385 -0.023
585 1HB ALA 73 1HB ALA 73 -5.222 -10.630 0.083
586 2HB ALA 73 2HB ALA 73 -4.802 -10.993 -1.591
587 3HB ALA 73 3HB ALA 73 -4.167 -9.542 -0.815
588 H LEU 74 H LEU 74 -1.411 -9.656 -0.414
589 HA LEU 74 HA LEU 74 -0.444 -10.402 -3.005
590 1HB LEU 74 2HB LEU 74 0.555 -8.486 -0.899
591 2HB LEU 74 1HB LEU 74 1.333 -8.693 -2.461
592 HG LEU 74 HG LEU 74 -1.531 -7.817 -2.103
593 1HD1 LEU 74 1HD1 LEU 74 0.935 -6.190 -2.692
594 2HD1 LEU 74 2HD1 LEU 74 -0.037 -6.129 -1.222
595 3HD1 LEU 74 3HD1 LEU 74 -0.726 -5.598 -2.757
596 1HD2 LEU 74 1HD2 LEU 74 0.276 -7.870 -4.513
597 2HD2 LEU 74 2HD2 LEU 74 -1.365 -7.228 -4.463
598 3HD2 LEU 74 3HD2 LEU 74 -1.084 -8.950 -4.211
599 H ALA 75 H ALA 75 0.397 -11.047 0.303
600 HA ALA 75 HA ALA 75 2.941 -12.217 -0.239
601 1HB ALA 75 1HB ALA 75 2.824 -13.028 2.062
602 2HB ALA 75 2HB ALA 75 1.127 -12.558 2.148
603 3HB ALA 75 3HB ALA 75 2.376 -11.324 1.971
604 H GLU 76 H GLU 76 -0.348 -13.292 -0.233
605 HA GLU 76 HA GLU 76 -1.370 -15.200 -0.890
606 1HB GLU 76 2HB GLU 76 0.136 -15.313 -2.780
607 2HB GLU 76 1HB GLU 76 1.404 -16.006 -1.778
608 1HG GLU 76 2HG GLU 76 0.442 -17.748 -3.084
609 2HG GLU 76 1HG GLU 76 -0.047 -17.985 -1.409
610 H HIS 77 H HIS 77 1.776 -16.306 0.288
611 HA HIS 77 HA HIS 77 0.361 -18.124 2.107
612 1HB HIS 77 2HB HIS 77 2.635 -19.304 2.184
613 2HB HIS 77 1HB HIS 77 1.724 -19.415 0.686
614 HD1 HIS 77 HD1 HIS 77 3.025 -18.937 -1.367
615 HD2 HIS 77 HD2 HIS 77 4.720 -17.166 1.992
616 HE1 HIS 77 HE1 HIS 77 5.160 -17.879 -2.162
617 HE2 HIS 77 HE2 HIS 77 6.279 -17.023 -0.067
618 H GLY 78 H GLY 78 0.500 -17.877 4.219
619 1HA GLY 78 2HA GLY 78 1.974 -15.648 5.316
620 2HA GLY 78 1HA GLY 78 0.930 -16.752 6.203
621 H LYS 79 H LYS 79 4.051 -16.613 4.553
622 HA LYS 79 HA LYS 79 5.234 -18.239 6.671
623 1HB LYS 79 2HB LYS 79 4.668 -19.914 5.074
624 2HB LYS 79 1HB LYS 79 5.218 -18.922 3.733
625 1HG LYS 79 2HG LYS 79 7.524 -19.181 4.479
626 2HG LYS 79 1HG LYS 79 6.975 -20.167 5.837
627 1HD LYS 79 2HD LYS 79 6.409 -21.949 4.486
628 2HD LYS 79 1HD LYS 79 6.195 -20.932 3.058
629 1HE LYS 79 2HE LYS 79 8.876 -21.362 4.345
630 2HE LYS 79 1HE LYS 79 8.241 -22.438 3.100
631 1HZ LYS 79 1HZ LYS 79 8.368 -19.524 2.640
632 2HZ LYS 79 2HZ LYS 79 8.320 -20.782 1.507
633 3HZ LYS 79 3HZ LYS 79 9.737 -20.498 2.398
634 H ASP 80 H ASP 80 6.480 -17.351 3.489
635 HA ASP 80 HA ASP 80 8.702 -16.014 4.775
636 1HB ASP 80 2HB ASP 80 9.471 -15.795 2.296
637 2HB ASP 80 1HB ASP 80 9.516 -17.370 3.076
638 H ALA 81 H ALA 81 6.965 -14.444 5.505
639 HA ALA 81 HA ALA 81 6.014 -12.465 3.710
640 1HB ALA 81 1HB ALA 81 5.562 -11.146 5.725
641 2HB ALA 81 2HB ALA 81 6.512 -12.283 6.681
642 3HB ALA 81 3HB ALA 81 5.018 -12.812 5.909
643 H LEU 82 H LEU 82 9.079 -13.150 4.911
644 HA LEU 82 HA LEU 82 10.158 -10.486 4.852
645 1HB LEU 82 2HB LEU 82 11.566 -13.157 4.869
646 2HB LEU 82 1HB LEU 82 12.318 -11.601 5.162
647 HG LEU 82 HG LEU 82 10.194 -12.841 6.913
648 1HD1 LEU 82 1HD1 LEU 82 12.016 -13.225 8.496
649 2HD1 LEU 82 2HD1 LEU 82 13.173 -12.628 7.308
650 3HD1 LEU 82 3HD1 LEU 82 12.270 -14.108 6.992
651 1HD2 LEU 82 1HD2 LEU 82 10.777 -11.067 8.476
652 2HD2 LEU 82 2HD2 LEU 82 10.218 -10.390 6.948
653 3HD2 LEU 82 3HD2 LEU 82 11.940 -10.415 7.323
654 H LYS 83 H LYS 83 9.217 -12.646 2.508
655 HA LYS 83 HA LYS 83 11.213 -11.702 0.575
656 1HB LYS 83 2HB LYS 83 10.100 -14.198 0.982
657 2HB LYS 83 1HB LYS 83 9.177 -13.586 -0.382
658 1HG LYS 83 2HG LYS 83 12.178 -13.809 -0.242
659 2HG LYS 83 1HG LYS 83 11.098 -14.901 -1.107
660 1HD LYS 83 2HD LYS 83 10.342 -12.959 -2.477
661 2HD LYS 83 1HD LYS 83 11.576 -11.980 -1.682
662 1HE LYS 83 2HE LYS 83 12.401 -12.752 -3.810
663 2HE LYS 83 1HE LYS 83 13.301 -13.531 -2.511
664 1HZ LYS 83 1HZ LYS 83 12.715 -15.104 -4.234
665 2HZ LYS 83 2HZ LYS 83 11.068 -14.748 -4.045
666 3HZ LYS 83 3HZ LYS 83 11.920 -15.501 -2.789
667 H VAL 84 H VAL 84 8.121 -11.034 1.692
668 HA VAL 84 HA VAL 84 6.940 -10.146 -0.760
669 HB VAL 84 HB VAL 84 6.198 -9.340 2.059
670 1HG1 VAL 84 1HG1 VAL 84 5.257 -7.878 0.350
671 2HG1 VAL 84 2HG1 VAL 84 3.996 -8.864 1.095
672 3HG1 VAL 84 3HG1 VAL 84 4.608 -9.278 -0.506
673 1HG2 VAL 84 1HG2 VAL 84 4.520 -11.123 1.960
674 2HG2 VAL 84 2HG2 VAL 84 6.158 -11.766 1.831
675 3HG2 VAL 84 3HG2 VAL 84 5.151 -11.626 0.391
676 H THR 85 H THR 85 7.629 -8.465 -1.855
677 HA THR 85 HA THR 85 9.652 -6.760 -1.187
678 HB THR 85 HB THR 85 7.414 -5.891 -3.002
679 HG1 THR 85 HG1 THR 85 9.462 -7.429 -4.080
680 1HG2 THR 85 1HG2 THR 85 9.283 -4.997 -4.338
681 2HG2 THR 85 2HG2 THR 85 10.417 -5.578 -3.117
682 3HG2 THR 85 3HG2 THR 85 9.252 -4.320 -2.709
683 H ALA 86 H ALA 86 6.166 -6.039 -0.898
684 HA ALA 86 HA ALA 86 6.592 -3.377 0.022
685 1HB ALA 86 1HB ALA 86 4.102 -5.065 0.253
686 2HB ALA 86 2HB ALA 86 4.545 -4.091 -1.149
687 3HB ALA 86 3HB ALA 86 4.201 -3.310 0.394
688 H LEU 87 H LEU 87 6.342 -6.464 1.596
689 HA LEU 87 HA LEU 87 5.722 -5.320 4.187
690 1HB LEU 87 2HB LEU 87 4.927 -7.601 3.237
691 2HB LEU 87 1HB LEU 87 6.524 -8.175 3.662
692 HG LEU 87 HG LEU 87 4.777 -8.721 5.342
693 1HD1 LEU 87 1HD1 LEU 87 7.102 -8.618 6.034
694 2HD1 LEU 87 2HD1 LEU 87 6.039 -8.031 7.316
695 3HD1 LEU 87 3HD1 LEU 87 6.948 -6.887 6.329
696 1HD2 LEU 87 1HD2 LEU 87 4.714 -5.741 5.760
697 2HD2 LEU 87 2HD2 LEU 87 3.928 -6.942 6.788
698 3HD2 LEU 87 3HD2 LEU 87 3.407 -6.735 5.114
699 H LYS 88 H LYS 88 8.408 -6.982 2.588
700 HA LYS 88 HA LYS 88 10.223 -6.822 4.732
701 1HB LYS 88 2HB LYS 88 10.544 -8.248 2.702
702 2HB LYS 88 1HB LYS 88 10.884 -6.791 1.780
703 1HG LYS 88 2HG LYS 88 12.816 -6.342 3.229
704 2HG LYS 88 1HG LYS 88 12.483 -7.834 4.109
705 1HD LYS 88 2HD LYS 88 12.842 -9.127 2.077
706 2HD LYS 88 1HD LYS 88 13.140 -7.641 1.172
707 1HE LYS 88 2HE LYS 88 15.089 -7.168 2.508
708 2HE LYS 88 1HE LYS 88 14.761 -8.555 3.542
709 1HZ LYS 88 1HZ LYS 88 16.509 -8.955 1.870
710 2HZ LYS 88 2HZ LYS 88 15.360 -8.740 0.638
711 3HZ LYS 88 3HZ LYS 88 15.202 -10.027 1.730
712 H LYS 89 H LYS 89 9.314 -4.586 2.188
713 HA LYS 89 HA LYS 89 11.275 -2.617 2.532
714 1HB LYS 89 2HB LYS 89 9.357 -2.753 0.798
715 2HB LYS 89 1HB LYS 89 8.387 -1.975 2.040
716 1HG LYS 89 2HG LYS 89 9.797 -0.045 2.033
717 2HG LYS 89 1HG LYS 89 10.923 -0.820 0.912
718 1HD LYS 89 2HD LYS 89 9.145 -0.933 -0.779
719 2HD LYS 89 1HD LYS 89 8.037 -0.137 0.338
720 1HE LYS 89 2HE LYS 89 10.609 1.070 -0.667
721 2HE LYS 89 1HE LYS 89 9.027 1.367 -1.383
722 1HZ LYS 89 1HZ LYS 89 8.322 2.194 0.850
723 2HZ LYS 89 2HZ LYS 89 9.497 3.147 0.079
724 3HZ LYS 89 3HZ LYS 89 9.948 2.104 1.338
725 H TYR 90 H TYR 90 8.037 -2.796 3.971
726 HA TYR 90 HA TYR 90 8.406 -0.541 5.614
727 1HB TYR 90 2HB TYR 90 6.222 -1.759 4.867
728 2HB TYR 90 1HB TYR 90 6.476 -2.720 6.320
729 HD1 TYR 90 HD1 TYR 90 6.303 0.829 5.202
730 HD2 TYR 90 HD2 TYR 90 5.619 -1.959 8.339
731 HE1 TYR 90 HE1 TYR 90 5.275 2.611 6.546
732 HE2 TYR 90 HE2 TYR 90 4.580 -0.180 9.693
733 HH TYR 90 HH TYR 90 4.565 2.225 9.875
734 H ARG 91 H ARG 91 8.816 -3.999 6.203
735 HA ARG 91 HA ARG 91 9.170 -3.767 9.005
736 1HB ARG 91 2HB ARG 91 8.542 -5.863 7.834
737 2HB ARG 91 1HB ARG 91 10.161 -5.943 7.157
738 1HG ARG 91 2HG ARG 91 11.129 -6.302 9.299
739 2HG ARG 91 1HG ARG 91 9.601 -5.948 10.111
740 1HD ARG 91 2HD ARG 91 8.591 -7.916 9.108
741 2HD ARG 91 1HD ARG 91 10.085 -8.260 8.239
742 HE ARG 91 HE ARG 91 11.130 -8.705 10.393
743 1HH1 ARG 91 1HH1 ARG 91 7.628 -8.561 10.361
744 2HH1 ARG 91 2HH1 ARG 91 7.445 -9.545 11.782
745 1HH2 ARG 91 1HH2 ARG 91 10.904 -10.015 12.232
746 2HH2 ARG 91 2HH2 ARG 91 9.313 -10.390 12.841
747 H GLN 92 H GLN 92 11.448 -3.801 6.283
748 HA GLN 92 HA GLN 92 13.745 -3.568 8.034
749 1HB GLN 92 2HB GLN 92 13.852 -4.757 5.845
750 2HB GLN 92 1HB GLN 92 13.571 -3.226 5.033
751 1HG GLN 92 2HG GLN 92 15.898 -3.721 4.936
752 2HG GLN 92 1HG GLN 92 15.665 -2.364 6.038
753 1HE2 GLN 92 1HE2 GLN 92 16.471 -5.744 5.776
754 2HE2 GLN 92 2HE2 GLN 92 17.127 -5.913 7.363
755 H LEU 93 H LEU 93 11.449 -1.486 6.692
756 HA LEU 93 HA LEU 93 13.125 0.833 6.480
757 1HB LEU 93 2HB LEU 93 11.164 0.570 5.051
758 2HB LEU 93 1HB LEU 93 10.117 0.520 6.448
759 HG LEU 93 HG LEU 93 10.753 2.873 6.967
760 1HD1 LEU 93 1HD1 LEU 93 12.161 2.734 4.303
761 2HD1 LEU 93 2HD1 LEU 93 12.945 2.864 5.877
762 3HD1 LEU 93 3HD1 LEU 93 11.931 4.181 5.286
763 1HD2 LEU 93 1HD2 LEU 93 8.721 2.382 5.717
764 2HD2 LEU 93 2HD2 LEU 93 9.632 2.394 4.206
765 3HD2 LEU 93 3HD2 LEU 93 9.461 3.877 5.146
766 H LEU 94 H LEU 94 11.745 -0.833 9.034
767 HA LEU 94 HA LEU 94 11.599 1.503 10.785
768 1HB LEU 94 2HB LEU 94 10.603 -1.284 10.890
769 2HB LEU 94 1HB LEU 94 11.071 -0.576 12.422
770 HG LEU 94 HG LEU 94 9.484 1.276 12.040
771 1HD1 LEU 94 1HD1 LEU 94 7.828 1.104 10.257
772 2HD1 LEU 94 2HD1 LEU 94 8.668 -0.305 9.607
773 3HD1 LEU 94 3HD1 LEU 94 9.458 1.272 9.604
774 1HD2 LEU 94 1HD2 LEU 94 8.784 -0.655 13.326
775 2HD2 LEU 94 2HD2 LEU 94 8.295 -1.484 11.848
776 3HD2 LEU 94 3HD2 LEU 94 7.439 -0.032 12.368
777 H GLU 95 H GLU 95 14.172 1.001 9.854
778 HA GLU 95 HA GLU 95 15.703 -0.579 11.643
779 1HB GLU 95 2HB GLU 95 16.492 1.688 9.810
780 2HB GLU 95 1HB GLU 95 17.652 0.783 10.775
781 1HG GLU 95 2HG GLU 95 16.922 -1.284 9.644
782 2HG GLU 95 1HG GLU 95 15.854 -0.317 8.629
783 H HIS 96 H HIS 96 14.235 2.467 11.975
784 HA HIS 96 HA HIS 96 16.004 3.420 14.045
785 1HB HIS 96 2HB HIS 96 14.383 5.266 14.298
786 2HB HIS 96 1HB HIS 96 14.898 5.061 12.630
787 HD1 HIS 96 HD1 HIS 96 11.946 5.420 14.688
788 HD2 HIS 96 HD2 HIS 96 12.834 3.673 11.020
789 HE1 HIS 96 HE1 HIS 96 9.741 5.151 13.509
790 HE2 HIS 96 HE2 HIS 96 10.335 4.308 11.209
791 H HIS 97 H HIS 97 15.392 0.995 14.814
792 HA HIS 97 HA HIS 97 13.833 1.370 17.235
793 1HB HIS 97 2HB HIS 97 12.169 0.623 15.535
794 2HB HIS 97 1HB HIS 97 13.142 -0.810 15.242
795 HD1 HIS 97 HD1 HIS 97 12.832 -2.771 16.809
796 HD2 HIS 97 HD2 HIS 97 10.870 0.667 18.091
797 HE1 HIS 97 HE1 HIS 97 11.353 -3.502 18.705
798 HE2 HIS 97 HE2 HIS 97 9.998 -1.457 19.294
799 H HIS 98 H HIS 98 14.557 0.006 18.890
800 HA HIS 98 HA HIS 98 17.042 -1.392 18.281
801 1HB HIS 98 2HB HIS 98 15.723 -0.596 20.876
802 2HB HIS 98 1HB HIS 98 17.136 -1.643 20.824
803 HD1 HIS 98 HD1 HIS 98 17.615 0.843 22.300
804 HD2 HIS 98 HD2 HIS 98 18.000 0.675 18.161
805 HE1 HIS 98 HE1 HIS 98 19.128 2.752 21.675
806 HE2 HIS 98 HE2 HIS 98 19.516 2.490 19.199
807 H HIS 99 H HIS 99 17.469 -3.532 19.007
808 HA HIS 99 HA HIS 99 15.262 -5.277 18.408
809 1HB HIS 99 2HB HIS 99 16.843 -7.008 18.234
810 2HB HIS 99 1HB HIS 99 17.735 -5.586 17.719
811 HD1 HIS 99 HD1 HIS 99 18.168 -8.467 19.695
812 HD2 HIS 99 HD2 HIS 99 19.197 -4.466 20.196
813 HE1 HIS 99 HE1 HIS 99 19.986 -8.443 21.431
814 HE2 HIS 99 HE2 HIS 99 20.426 -6.008 21.881
815 H HIS 100 H HIS 100 14.915 -7.273 19.771
816 HA HIS 100 HA HIS 100 14.344 -6.456 22.484
817 1HB HIS 100 2HB HIS 100 12.694 -7.781 21.266
818 2HB HIS 100 1HB HIS 100 13.864 -9.075 21.035
819 HD1 HIS 100 HD1 HIS 100 12.008 -7.322 23.840
820 HD2 HIS 100 HD2 HIS 100 13.886 -10.942 23.021
821 HE1 HIS 100 HE1 HIS 100 11.510 -8.810 25.808
822 HE2 HIS 100 HE2 HIS 100 12.844 -10.903 25.390
823 H HIS 101 H HIS 101 15.671 -6.729 24.147
824 HA HIS 101 HA HIS 101 17.842 -8.692 23.892
825 1HB HIS 101 2HB HIS 101 18.574 -6.362 24.229
826 2HB HIS 101 1HB HIS 101 17.635 -6.282 25.716
827 HD1 HIS 101 HD1 HIS 101 18.903 -6.775 27.780
828 HD2 HIS 101 HD2 HIS 101 20.674 -8.482 24.424
829 HE1 HIS 101 HE1 HIS 101 21.032 -7.833 28.599
830 HE2 HIS 101 HE2 HIS 101 22.017 -8.980 26.583
Start of MODEL 15
1 1H MET 1 1H MET 1 16.488 18.405 -22.073
2 2H MET 1 2H MET 1 14.819 18.440 -22.349
3 3H MET 1 3H MET 1 15.874 19.163 -23.462
4 HA MET 1 HA MET 1 15.100 17.099 -24.333
5 1HB MET 1 2HB MET 1 17.394 17.759 -24.859
6 2HB MET 1 1HB MET 1 17.978 16.972 -23.401
7 1HG MET 1 2HG MET 1 17.289 14.806 -24.286
8 2HG MET 1 1HG MET 1 16.677 15.590 -25.741
9 1HE MET 1 1HE MET 1 18.820 13.151 -25.598
10 2HE MET 1 2HE MET 1 19.913 13.632 -26.893
11 3HE MET 1 3HE MET 1 18.171 13.801 -27.105
12 H MET 2 H MET 2 17.318 16.100 -21.710
13 HA MET 2 HA MET 2 15.424 13.909 -21.148
14 1HB MET 2 2HB MET 2 17.332 12.466 -20.666
15 2HB MET 2 1HB MET 2 17.414 13.087 -22.308
16 1HG MET 2 2HG MET 2 19.021 14.797 -21.539
17 2HG MET 2 1HG MET 2 18.986 14.060 -19.937
18 1HE MET 2 1HE MET 2 22.514 13.030 -21.222
19 2HE MET 2 2HE MET 2 21.595 13.779 -19.917
20 3HE MET 2 3HE MET 2 21.681 14.560 -21.496
21 H PHE 3 H PHE 3 17.067 16.565 -19.905
22 HA PHE 3 HA PHE 3 17.184 17.519 -17.859
23 1HB PHE 3 2HB PHE 3 14.764 16.617 -17.814
24 2HB PHE 3 1HB PHE 3 15.394 15.342 -16.781
25 HD1 PHE 3 HD1 PHE 3 15.413 19.060 -17.044
26 HD2 PHE 3 HD2 PHE 3 15.297 15.652 -14.503
27 HE1 PHE 3 HE1 PHE 3 15.140 20.529 -15.089
28 HE2 PHE 3 HE2 PHE 3 15.025 17.112 -12.545
29 HZ PHE 3 HZ PHE 3 14.947 19.555 -12.837
30 H LEU 4 H LEU 4 17.429 16.580 -15.311
31 HA LEU 4 HA LEU 4 19.967 15.176 -15.498
32 1HB LEU 4 2HB LEU 4 18.620 16.422 -13.100
33 2HB LEU 4 1HB LEU 4 20.274 15.845 -13.172
34 HG LEU 4 HG LEU 4 19.153 18.179 -14.728
35 1HD1 LEU 4 1HD1 LEU 4 19.377 18.661 -12.359
36 2HD1 LEU 4 2HD1 LEU 4 20.606 19.520 -13.284
37 3HD1 LEU 4 3HD1 LEU 4 21.037 18.070 -12.379
38 1HD2 LEU 4 1HD2 LEU 4 21.477 18.584 -15.383
39 2HD2 LEU 4 2HD2 LEU 4 20.906 17.023 -15.973
40 3HD2 LEU 4 3HD2 LEU 4 21.967 17.100 -14.566
41 H ARG 5 H ARG 5 17.059 14.015 -15.558
42 HA ARG 5 HA ARG 5 16.000 12.116 -14.942
43 1HB ARG 5 2HB ARG 5 18.837 11.390 -14.297
44 2HB ARG 5 1HB ARG 5 17.528 10.271 -13.946
45 1HG ARG 5 2HG ARG 5 18.137 11.420 -16.662
46 2HG ARG 5 1HG ARG 5 18.620 9.819 -16.097
47 1HD ARG 5 2HD ARG 5 16.276 9.209 -15.796
48 2HD ARG 5 1HD ARG 5 15.783 10.815 -16.332
49 HE ARG 5 HE ARG 5 17.126 10.055 -18.460
50 1HH1 ARG 5 1HH1 ARG 5 14.968 8.127 -16.475
51 2HH1 ARG 5 2HH1 ARG 5 14.426 7.136 -17.796
52 1HH2 ARG 5 1HH2 ARG 5 16.407 8.762 -20.199
53 2HH2 ARG 5 2HH2 ARG 5 15.264 7.485 -19.916
54 H LYS 6 H LYS 6 16.547 14.337 -12.956
55 HA LYS 6 HA LYS 6 15.554 12.851 -10.626
56 1HB LYS 6 2HB LYS 6 17.488 15.150 -10.735
57 2HB LYS 6 1HB LYS 6 16.554 14.811 -9.287
58 1HG LYS 6 2HG LYS 6 17.551 12.585 -9.162
59 2HG LYS 6 1HG LYS 6 18.479 12.920 -10.625
60 1HD LYS 6 2HD LYS 6 19.683 14.683 -9.531
61 2HD LYS 6 1HD LYS 6 18.654 14.562 -8.103
62 1HE LYS 6 2HE LYS 6 20.500 12.402 -9.114
63 2HE LYS 6 1HE LYS 6 20.853 13.501 -7.781
64 1HZ LYS 6 1HZ LYS 6 18.796 11.369 -7.901
65 2HZ LYS 6 2HZ LYS 6 18.752 12.599 -6.734
66 3HZ LYS 6 3HZ LYS 6 20.073 11.544 -6.796
67 H VAL 7 H VAL 7 13.441 13.248 -11.484
68 HA VAL 7 HA VAL 7 12.583 16.059 -11.284
69 HB VAL 7 HB VAL 7 10.889 13.982 -12.619
70 1HG1 VAL 7 1HG1 VAL 7 9.936 16.164 -12.198
71 2HG1 VAL 7 2HG1 VAL 7 10.163 15.938 -13.933
72 3HG1 VAL 7 3HG1 VAL 7 11.288 16.943 -13.019
73 1HG2 VAL 7 1HG2 VAL 7 13.045 13.682 -13.683
74 2HG2 VAL 7 2HG2 VAL 7 13.193 15.421 -13.931
75 3HG2 VAL 7 3HG2 VAL 7 11.946 14.512 -14.783
76 H GLU 8 H GLU 8 11.577 16.483 -9.429
77 HA GLU 8 HA GLU 8 10.612 14.275 -7.811
78 1HB GLU 8 2HB GLU 8 10.449 15.877 -5.998
79 2HB GLU 8 1HB GLU 8 12.017 16.008 -6.776
80 1HG GLU 8 2HG GLU 8 9.691 17.854 -7.272
81 2HG GLU 8 1HG GLU 8 11.024 18.183 -6.168
82 H GLY 9 H GLY 9 9.291 16.298 -10.079
83 1HA GLY 9 2HA GLY 9 6.695 16.720 -9.017
84 2HA GLY 9 1HA GLY 9 7.123 16.721 -10.723
85 HA PRO 10 HA PRO 10 5.384 12.681 -11.318
86 1HB PRO 10 2HB PRO 10 7.918 11.423 -12.101
87 2HB PRO 10 1HB PRO 10 6.460 11.702 -13.059
88 1HG PRO 10 2HG PRO 10 8.754 13.085 -13.453
89 2HG PRO 10 1HG PRO 10 7.150 13.784 -13.736
90 1HD PRO 10 2HD PRO 10 9.016 14.169 -11.442
91 2HD PRO 10 1HD PRO 10 7.944 15.339 -12.237
92 H ARG 11 H ARG 11 4.863 11.944 -9.319
93 HA ARG 11 HA ARG 11 6.861 10.392 -7.834
94 1HB ARG 11 2HB ARG 11 4.061 11.274 -7.075
95 2HB ARG 11 1HB ARG 11 5.132 10.336 -6.043
96 1HG ARG 11 2HG ARG 11 5.719 13.102 -7.074
97 2HG ARG 11 1HG ARG 11 5.106 12.719 -5.464
98 1HD ARG 11 2HD ARG 11 7.099 11.507 -4.923
99 2HD ARG 11 1HD ARG 11 7.689 11.640 -6.580
100 HE ARG 11 HE ARG 11 7.624 14.163 -6.058
101 1HH1 ARG 11 1HH1 ARG 11 8.448 11.639 -3.776
102 2HH1 ARG 11 2HH1 ARG 11 9.470 12.660 -2.813
103 1HH2 ARG 11 1HH2 ARG 11 8.980 15.504 -4.816
104 2HH2 ARG 11 2HH2 ARG 11 9.791 14.866 -3.420
105 H SER 12 H SER 12 5.413 9.752 -10.387
106 HA SER 12 HA SER 12 3.571 7.666 -9.896
107 1HB SER 12 2HB SER 12 5.184 7.867 -12.415
108 2HB SER 12 1HB SER 12 3.477 7.467 -12.211
109 HG SER 12 HG SER 12 3.330 9.509 -12.858
110 H VAL 13 H VAL 13 4.237 5.961 -8.747
111 HA VAL 13 HA VAL 13 6.872 4.812 -9.225
112 HB VAL 13 HB VAL 13 6.270 3.253 -7.350
113 1HG1 VAL 13 1HG1 VAL 13 7.584 5.261 -6.959
114 2HG1 VAL 13 2HG1 VAL 13 6.511 4.951 -5.595
115 3HG1 VAL 13 3HG1 VAL 13 6.108 6.208 -6.766
116 1HG2 VAL 13 1HG2 VAL 13 3.839 3.331 -7.542
117 2HG2 VAL 13 2HG2 VAL 13 3.846 5.042 -7.118
118 3HG2 VAL 13 3HG2 VAL 13 4.348 3.838 -5.930
119 H THR 14 H THR 14 7.207 3.196 -10.575
120 HA THR 14 HA THR 14 5.024 1.900 -11.896
121 HB THR 14 HB THR 14 7.961 1.181 -12.026
122 HG1 THR 14 HG1 THR 14 7.571 3.365 -12.668
123 1HG2 THR 14 1HG2 THR 14 6.478 -0.576 -12.871
124 2HG2 THR 14 2HG2 THR 14 7.356 0.185 -14.197
125 3HG2 THR 14 3HG2 THR 14 5.665 0.594 -13.912
126 H LEU 15 H LEU 15 3.853 0.491 -10.783
127 HA LEU 15 HA LEU 15 4.994 -1.305 -8.854
128 1HB LEU 15 2HB LEU 15 2.278 -1.438 -10.172
129 2HB LEU 15 1HB LEU 15 2.767 -2.246 -8.697
130 HG LEU 15 HG LEU 15 2.358 0.713 -9.094
131 1HD1 LEU 15 1HD1 LEU 15 0.596 0.421 -7.440
132 2HD1 LEU 15 2HD1 LEU 15 0.952 -1.304 -7.349
133 3HD1 LEU 15 3HD1 LEU 15 0.321 -0.612 -8.843
134 1HD2 LEU 15 1HD2 LEU 15 4.296 0.319 -7.648
135 2HD2 LEU 15 2HD2 LEU 15 3.323 -0.745 -6.634
136 3HD2 LEU 15 3HD2 LEU 15 2.934 0.974 -6.739
137 HA PRO 16 HA PRO 16 6.387 -4.420 -11.654
138 1HB PRO 16 2HB PRO 16 5.581 -6.344 -9.553
139 2HB PRO 16 1HB PRO 16 7.164 -6.083 -10.294
140 1HG PRO 16 2HG PRO 16 6.669 -5.277 -7.801
141 2HG PRO 16 1HG PRO 16 7.665 -4.300 -8.896
142 1HD PRO 16 2HD PRO 16 4.804 -3.930 -8.098
143 2HD PRO 16 1HD PRO 16 6.081 -2.712 -8.310
144 H ASP 17 H ASP 17 3.208 -4.210 -10.481
145 HA ASP 17 HA ASP 17 2.114 -6.480 -11.855
146 1HB ASP 17 2HB ASP 17 0.644 -4.004 -10.918
147 2HB ASP 17 1HB ASP 17 -0.055 -5.579 -11.271
148 H GLY 18 H GLY 18 3.170 -3.382 -12.734
149 1HA GLY 18 2HA GLY 18 3.449 -2.731 -14.993
150 2HA GLY 18 1HA GLY 18 2.092 -3.754 -15.433
151 H SER 19 H SER 19 2.400 -1.239 -12.962
152 HA SER 19 HA SER 19 0.702 0.568 -14.463
153 1HB SER 19 2HB SER 19 -0.148 -0.526 -11.766
154 2HB SER 19 1HB SER 19 -0.947 0.786 -12.629
155 HG SER 19 HG SER 19 -0.661 -1.390 -14.215
156 H ILE 20 H ILE 20 0.917 2.714 -13.781
157 HA ILE 20 HA ILE 20 2.985 3.107 -11.720
158 HB ILE 20 HB ILE 20 3.309 5.371 -12.731
159 1HG1 ILE 20 2HG1 ILE 20 1.638 4.264 -15.000
160 2HG1 ILE 20 1HG1 ILE 20 1.097 5.502 -13.871
161 1HG2 ILE 20 1HG2 ILE 20 4.822 3.542 -13.217
162 2HG2 ILE 20 2HG2 ILE 20 4.613 4.564 -14.638
163 3HG2 ILE 20 3HG2 ILE 20 3.785 3.010 -14.541
164 1HD1 ILE 20 1HD1 ILE 20 1.811 6.478 -15.973
165 2HD1 ILE 20 2HD1 ILE 20 3.406 5.746 -15.791
166 3HD1 ILE 20 3HD1 ILE 20 2.869 6.989 -14.657
167 H MET 21 H MET 21 2.299 3.804 -9.835
168 HA MET 21 HA MET 21 -0.350 5.021 -9.665
169 1HB MET 21 2HB MET 21 1.483 3.854 -7.575
170 2HB MET 21 1HB MET 21 0.016 4.738 -7.169
171 1HG MET 21 2HG MET 21 0.173 2.228 -8.814
172 2HG MET 21 1HG MET 21 -0.368 2.353 -7.143
173 1HE MET 21 1HE MET 21 -2.627 3.460 -6.383
174 2HE MET 21 2HE MET 21 -3.679 4.367 -7.470
175 3HE MET 21 3HE MET 21 -2.065 4.971 -7.099
176 H THR 22 H THR 22 -0.718 7.028 -9.088
177 HA THR 22 HA THR 22 1.595 8.730 -8.447
178 HB THR 22 HB THR 22 0.299 10.607 -9.423
179 HG1 THR 22 HG1 THR 22 -1.468 9.356 -10.921
180 1HG2 THR 22 1HG2 THR 22 1.924 9.427 -10.816
181 2HG2 THR 22 2HG2 THR 22 0.549 9.967 -11.778
182 3HG2 THR 22 3HG2 THR 22 0.683 8.275 -11.302
183 H ARG 23 H ARG 23 0.758 10.814 -7.279
184 HA ARG 23 HA ARG 23 -0.457 9.990 -4.848
185 1HB ARG 23 2HB ARG 23 1.141 11.794 -4.830
186 2HB ARG 23 1HB ARG 23 0.168 12.732 -5.954
187 1HG ARG 23 2HG ARG 23 -1.577 12.955 -4.268
188 2HG ARG 23 1HG ARG 23 -0.615 12.002 -3.140
189 1HD ARG 23 2HD ARG 23 -0.490 14.474 -2.798
190 2HD ARG 23 1HD ARG 23 1.065 13.678 -3.027
191 HE ARG 23 HE ARG 23 1.398 15.073 -4.777
192 1HH1 ARG 23 1HH1 ARG 23 -2.080 14.627 -4.490
193 2HH1 ARG 23 2HH1 ARG 23 -2.446 15.732 -5.785
194 1HH2 ARG 23 1HH2 ARG 23 0.906 16.523 -6.466
195 2HH2 ARG 23 2HH2 ARG 23 -0.752 16.820 -6.901
196 H ALA 24 H ALA 24 -1.649 11.346 -7.805
197 HA ALA 24 HA ALA 24 -4.215 12.098 -6.723
198 1HB ALA 24 1HB ALA 24 -3.276 11.932 -9.582
199 2HB ALA 24 2HB ALA 24 -3.216 13.364 -8.555
200 3HB ALA 24 3HB ALA 24 -4.772 12.681 -9.024
201 H ASP 25 H ASP 25 -2.820 9.351 -8.391
202 HA ASP 25 HA ASP 25 -5.312 8.186 -9.164
203 1HB ASP 25 2HB ASP 25 -2.923 7.722 -10.107
204 2HB ASP 25 1HB ASP 25 -2.800 6.577 -8.774
205 H LEU 26 H LEU 26 -3.291 8.036 -6.333
206 HA LEU 26 HA LEU 26 -4.224 5.721 -5.107
207 1HB LEU 26 2HB LEU 26 -3.300 8.332 -3.914
208 2HB LEU 26 1HB LEU 26 -3.628 6.900 -2.958
209 HG LEU 26 HG LEU 26 -1.547 7.052 -5.143
210 1HD1 LEU 26 1HD1 LEU 26 -0.962 8.507 -3.275
211 2HD1 LEU 26 2HD1 LEU 26 0.083 7.085 -3.320
212 3HD1 LEU 26 3HD1 LEU 26 -1.230 7.180 -2.144
213 1HD2 LEU 26 1HD2 LEU 26 -2.106 4.957 -3.042
214 2HD2 LEU 26 2HD2 LEU 26 -0.771 4.935 -4.194
215 3HD2 LEU 26 3HD2 LEU 26 -2.433 4.806 -4.767
216 HA PRO 27 HA PRO 27 -8.581 6.489 -4.187
217 1HB PRO 27 2HB PRO 27 -7.698 4.656 -1.983
218 2HB PRO 27 1HB PRO 27 -9.168 4.598 -2.968
219 1HG PRO 27 2HG PRO 27 -7.203 2.945 -3.516
220 2HG PRO 27 1HG PRO 27 -8.027 3.785 -4.840
221 1HD PRO 27 2HD PRO 27 -5.348 4.335 -3.627
222 2HD PRO 27 1HD PRO 27 -5.858 4.431 -5.326
223 HA PRO 28 HA PRO 28 -7.336 9.886 -1.485
224 1HB PRO 28 2HB PRO 28 -10.284 10.312 -1.507
225 2HB PRO 28 1HB PRO 28 -8.976 11.461 -1.816
226 1HG PRO 28 2HG PRO 28 -10.416 10.485 -3.826
227 2HG PRO 28 1HG PRO 28 -8.666 10.718 -3.998
228 1HD PRO 28 2HD PRO 28 -10.216 8.204 -3.563
229 2HD PRO 28 1HD PRO 28 -8.768 8.479 -4.553
230 H ALA 29 H ALA 29 -10.307 8.086 -0.760
231 HA ALA 29 HA ALA 29 -9.518 7.155 1.755
232 1HB ALA 29 1HB ALA 29 -10.847 8.558 3.253
233 2HB ALA 29 2HB ALA 29 -11.300 9.595 1.899
234 3HB ALA 29 3HB ALA 29 -9.618 9.518 2.427
235 H ASN 30 H ASN 30 -12.191 8.339 -0.200
236 HA ASN 30 HA ASN 30 -14.000 6.343 0.922
237 1HB ASN 30 2HB ASN 30 -14.726 8.295 -1.250
238 2HB ASN 30 1HB ASN 30 -15.762 7.583 -0.017
239 1HD2 ASN 30 1HD2 ASN 30 -15.763 8.460 2.064
240 2HD2 ASN 30 2HD2 ASN 30 -15.082 10.020 2.406
241 H THR 31 H THR 31 -13.004 7.491 -2.296
242 HA THR 31 HA THR 31 -12.583 6.421 -4.260
243 HB THR 31 HB THR 31 -12.691 3.816 -2.748
244 HG1 THR 31 HG1 THR 31 -11.042 4.600 -1.704
245 1HG2 THR 31 1HG2 THR 31 -12.613 3.665 -5.213
246 2HG2 THR 31 2HG2 THR 31 -11.144 3.050 -4.456
247 3HG2 THR 31 3HG2 THR 31 -11.148 4.647 -5.204
248 H ARG 32 H ARG 32 -13.846 5.754 -5.959
249 HA ARG 32 HA ARG 32 -16.654 5.412 -5.290
250 1HB ARG 32 2HB ARG 32 -15.957 7.086 -6.964
251 2HB ARG 32 1HB ARG 32 -15.321 5.797 -7.975
252 1HG ARG 32 2HG ARG 32 -17.440 4.992 -8.499
253 2HG ARG 32 1HG ARG 32 -18.194 5.820 -7.136
254 1HD ARG 32 2HD ARG 32 -18.720 6.907 -9.264
255 2HD ARG 32 1HD ARG 32 -17.810 7.969 -8.193
256 HE ARG 32 HE ARG 32 -16.711 6.589 -10.558
257 1HH1 ARG 32 1HH1 ARG 32 -16.521 9.115 -8.126
258 2HH1 ARG 32 2HH1 ARG 32 -15.322 10.030 -8.995
259 1HH2 ARG 32 1HH2 ARG 32 -15.160 7.822 -11.714
260 2HH2 ARG 32 2HH2 ARG 32 -14.569 9.317 -11.036
261 H ARG 33 H ARG 33 -14.030 3.597 -6.730
262 HA ARG 33 HA ARG 33 -15.752 1.245 -6.640
263 1HB ARG 33 2HB ARG 33 -15.009 0.456 -8.817
264 2HB ARG 33 1HB ARG 33 -15.805 2.013 -8.965
265 1HG ARG 33 2HG ARG 33 -13.553 3.074 -9.052
266 2HG ARG 33 1HG ARG 33 -12.851 1.456 -9.092
267 1HD ARG 33 2HD ARG 33 -14.675 2.727 -11.125
268 2HD ARG 33 1HD ARG 33 -12.993 2.250 -11.340
269 HE ARG 33 HE ARG 33 -14.890 0.129 -10.691
270 1HH1 ARG 33 1HH1 ARG 33 -13.038 1.799 -13.150
271 2HH1 ARG 33 2HH1 ARG 33 -13.217 0.535 -14.327
272 1HH2 ARG 33 1HH2 ARG 33 -15.149 -1.526 -12.236
273 2HH2 ARG 33 2HH2 ARG 33 -14.426 -1.360 -13.810
274 H TRP 34 H TRP 34 -14.839 -0.032 -5.227
275 HA TRP 34 HA TRP 34 -11.921 -0.195 -5.048
276 1HB TRP 34 2HB TRP 34 -14.154 -1.203 -3.289
277 2HB TRP 34 1HB TRP 34 -12.496 -1.745 -3.083
278 HD1 TRP 34 HD1 TRP 34 -14.769 1.231 -2.473
279 HE1 TRP 34 HE1 TRP 34 -13.518 2.948 -1.022
280 HE3 TRP 34 HE3 TRP 34 -10.106 -0.851 -2.591
281 HZ2 TRP 34 HZ2 TRP 34 -10.903 3.362 -0.051
282 HZ3 TRP 34 HZ3 TRP 34 -8.288 0.266 -1.372
283 HH2 TRP 34 HH2 TRP 34 -8.677 2.330 -0.130
284 H VAL 35 H VAL 35 -11.529 -1.318 -6.992
285 HA VAL 35 HA VAL 35 -12.567 -4.039 -7.177
286 HB VAL 35 HB VAL 35 -11.442 -4.158 -9.354
287 1HG1 VAL 35 1HG1 VAL 35 -13.704 -3.273 -9.284
288 2HG1 VAL 35 2HG1 VAL 35 -12.767 -2.452 -10.531
289 3HG1 VAL 35 3HG1 VAL 35 -13.080 -1.650 -8.994
290 1HG2 VAL 35 1HG2 VAL 35 -9.498 -2.789 -8.919
291 2HG2 VAL 35 2HG2 VAL 35 -10.511 -1.357 -8.733
292 3HG2 VAL 35 3HG2 VAL 35 -10.377 -2.145 -10.305
293 H ALA 36 H ALA 36 -10.806 -5.711 -7.881
294 HA ALA 36 HA ALA 36 -9.154 -6.114 -5.654
295 1HB ALA 36 1HB ALA 36 -8.227 -8.003 -6.889
296 2HB ALA 36 2HB ALA 36 -8.950 -7.396 -8.379
297 3HB ALA 36 3HB ALA 36 -9.984 -7.938 -7.055
298 H SER 37 H SER 37 -8.368 -4.976 -8.926
299 HA SER 37 HA SER 37 -5.592 -4.694 -8.475
300 1HB SER 37 2HB SER 37 -7.308 -3.150 -10.433
301 2HB SER 37 1HB SER 37 -5.570 -3.438 -10.547
302 HG SER 37 HG SER 37 -6.458 -5.812 -10.370
303 H ARG 38 H ARG 38 -8.308 -2.769 -7.576
304 HA ARG 38 HA ARG 38 -6.887 -0.309 -7.184
305 1HB ARG 38 2HB ARG 38 -9.358 -0.418 -7.514
306 2HB ARG 38 1HB ARG 38 -9.502 -1.222 -5.960
307 1HG ARG 38 2HG ARG 38 -9.998 0.915 -5.360
308 2HG ARG 38 1HG ARG 38 -8.253 0.922 -5.095
309 1HD ARG 38 2HD ARG 38 -9.718 1.964 -7.518
310 2HD ARG 38 1HD ARG 38 -8.933 2.930 -6.273
311 HE ARG 38 HE ARG 38 -7.345 1.069 -7.912
312 1HH1 ARG 38 1HH1 ARG 38 -8.068 4.325 -6.867
313 2HH1 ARG 38 2HH1 ARG 38 -6.668 5.022 -7.626
314 1HH2 ARG 38 1HH2 ARG 38 -5.527 1.979 -8.957
315 2HH2 ARG 38 2HH2 ARG 38 -5.251 3.702 -8.854
316 H LYS 39 H LYS 39 -7.938 -3.002 -5.158
317 HA LYS 39 HA LYS 39 -7.078 -2.189 -2.660
318 1HB LYS 39 2HB LYS 39 -7.493 -4.788 -4.007
319 2HB LYS 39 1HB LYS 39 -6.435 -4.832 -2.606
320 1HG LYS 39 2HG LYS 39 -8.726 -5.360 -2.007
321 2HG LYS 39 1HG LYS 39 -8.189 -3.874 -1.231
322 1HD LYS 39 2HD LYS 39 -9.385 -2.560 -2.902
323 2HD LYS 39 1HD LYS 39 -9.902 -4.045 -3.706
324 1HE LYS 39 2HE LYS 39 -10.540 -3.368 -0.843
325 2HE LYS 39 1HE LYS 39 -11.612 -3.013 -2.191
326 1HZ LYS 39 1HZ LYS 39 -11.761 -5.359 -2.677
327 2HZ LYS 39 2HZ LYS 39 -12.188 -5.082 -1.058
328 3HZ LYS 39 3HZ LYS 39 -10.666 -5.727 -1.431
329 H ILE 40 H ILE 40 -5.228 -4.146 -4.977
330 HA ILE 40 HA ILE 40 -2.826 -4.209 -3.564
331 HB ILE 40 HB ILE 40 -3.107 -4.290 -6.572
332 1HG1 ILE 40 2HG1 ILE 40 -4.698 -5.849 -5.646
333 2HG1 ILE 40 1HG1 ILE 40 -3.324 -6.761 -6.261
334 1HG2 ILE 40 1HG2 ILE 40 -0.806 -4.137 -5.787
335 2HG2 ILE 40 2HG2 ILE 40 -1.129 -5.728 -6.478
336 3HG2 ILE 40 3HG2 ILE 40 -1.064 -5.523 -4.726
337 1HD1 ILE 40 1HD1 ILE 40 -4.092 -7.643 -4.135
338 2HD1 ILE 40 2HD1 ILE 40 -3.835 -6.070 -3.377
339 3HD1 ILE 40 3HD1 ILE 40 -2.460 -6.987 -3.991
340 H ALA 41 H ALA 41 -4.057 -1.887 -5.904
341 HA ALA 41 HA ALA 41 -1.704 -0.406 -6.290
342 1HB ALA 41 1HB ALA 41 -3.649 -0.233 -7.759
343 2HB ALA 41 2HB ALA 41 -3.153 1.347 -7.156
344 3HB ALA 41 3HB ALA 41 -4.561 0.543 -6.462
345 H VAL 42 H VAL 42 -4.126 -0.306 -3.742
346 HA VAL 42 HA VAL 42 -3.278 2.180 -2.634
347 HB VAL 42 HB VAL 42 -4.665 -0.079 -1.173
348 1HG1 VAL 42 1HG1 VAL 42 -3.694 1.613 0.296
349 2HG1 VAL 42 2HG1 VAL 42 -5.456 1.688 0.318
350 3HG1 VAL 42 3HG1 VAL 42 -4.535 2.880 -0.599
351 1HG2 VAL 42 1HG2 VAL 42 -5.825 2.226 -2.713
352 2HG2 VAL 42 2HG2 VAL 42 -6.745 1.149 -1.666
353 3HG2 VAL 42 3HG2 VAL 42 -5.963 0.517 -3.116
354 H VAL 43 H VAL 43 -2.671 -1.208 -1.719
355 HA VAL 43 HA VAL 43 -0.995 -0.624 0.460
356 HB VAL 43 HB VAL 43 -0.290 -3.080 -0.991
357 1HG1 VAL 43 1HG1 VAL 43 -0.643 -4.065 1.212
358 2HG1 VAL 43 2HG1 VAL 43 -1.272 -2.522 1.795
359 3HG1 VAL 43 3HG1 VAL 43 0.410 -2.652 1.278
360 1HG2 VAL 43 1HG2 VAL 43 -2.627 -2.952 -1.672
361 2HG2 VAL 43 2HG2 VAL 43 -3.119 -2.692 0.002
362 3HG2 VAL 43 3HG2 VAL 43 -2.403 -4.231 -0.478
363 H ARG 44 H ARG 44 -0.208 -1.403 -2.926
364 HA ARG 44 HA ARG 44 2.599 -1.150 -2.533
365 1HB ARG 44 2HB ARG 44 0.992 -0.985 -5.086
366 2HB ARG 44 1HB ARG 44 2.742 -1.100 -5.003
367 1HG ARG 44 2HG ARG 44 1.904 -3.262 -3.523
368 2HG ARG 44 1HG ARG 44 0.721 -3.179 -4.830
369 1HD ARG 44 2HD ARG 44 2.984 -2.770 -6.223
370 2HD ARG 44 1HD ARG 44 3.613 -3.772 -4.917
371 HE ARG 44 HE ARG 44 1.628 -4.553 -6.943
372 1HH1 ARG 44 1HH1 ARG 44 3.677 -5.456 -4.233
373 2HH1 ARG 44 2HH1 ARG 44 3.508 -7.162 -4.513
374 1HH2 ARG 44 1HH2 ARG 44 1.419 -6.775 -7.315
375 2HH2 ARG 44 2HH2 ARG 44 2.231 -7.911 -6.276
376 H GLY 45 H GLY 45 0.040 1.073 -3.391
377 1HA GLY 45 2HA GLY 45 1.653 3.161 -4.394
378 2HA GLY 45 1HA GLY 45 0.019 3.328 -3.774
379 H VAL 46 H VAL 46 0.437 2.487 -1.119
380 HA VAL 46 HA VAL 46 1.733 4.882 -0.138
381 HB VAL 46 HB VAL 46 0.865 4.250 2.085
382 1HG1 VAL 46 1HG1 VAL 46 -0.465 5.642 0.619
383 2HG1 VAL 46 2HG1 VAL 46 -1.510 4.568 1.549
384 3HG1 VAL 46 3HG1 VAL 46 -1.162 4.214 -0.144
385 1HG2 VAL 46 1HG2 VAL 46 0.894 1.821 1.874
386 2HG2 VAL 46 2HG2 VAL 46 -0.364 1.901 0.640
387 3HG2 VAL 46 3HG2 VAL 46 -0.720 2.394 2.297
388 H ILE 47 H ILE 47 2.104 1.373 0.332
389 HA ILE 47 HA ILE 47 4.236 1.648 2.204
390 HB ILE 47 HB ILE 47 3.065 -0.685 0.713
391 1HG1 ILE 47 2HG1 ILE 47 3.072 0.166 3.610
392 2HG1 ILE 47 1HG1 ILE 47 1.704 0.174 2.503
393 1HG2 ILE 47 1HG2 ILE 47 5.320 -0.836 2.704
394 2HG2 ILE 47 2HG2 ILE 47 5.440 -1.153 0.972
395 3HG2 ILE 47 3HG2 ILE 47 4.453 -2.202 1.991
396 1HD1 ILE 47 1HD1 ILE 47 1.545 -1.689 4.028
397 2HD1 ILE 47 2HD1 ILE 47 3.144 -2.255 3.540
398 3HD1 ILE 47 3HD1 ILE 47 1.810 -2.275 2.386
399 H TYR 48 H TYR 48 4.098 0.695 -1.208
400 HA TYR 48 HA TYR 48 6.997 0.474 -1.335
401 1HB TYR 48 2HB TYR 48 5.466 -1.171 -2.442
402 2HB TYR 48 1HB TYR 48 4.905 0.111 -3.501
403 HD1 TYR 48 HD1 TYR 48 7.874 -1.911 -2.586
404 HD2 TYR 48 HD2 TYR 48 6.079 0.635 -5.482
405 HE1 TYR 48 HE1 TYR 48 9.625 -2.521 -4.202
406 HE2 TYR 48 HE2 TYR 48 7.834 0.042 -7.100
407 HH TYR 48 HH TYR 48 10.038 -0.862 -7.198
408 H GLY 49 H GLY 49 4.601 2.802 -1.765
409 1HA GLY 49 2HA GLY 49 6.135 4.304 -3.758
410 2HA GLY 49 1HA GLY 49 4.446 4.558 -3.367
411 H LEU 50 H LEU 50 4.106 5.321 -0.975
412 HA LEU 50 HA LEU 50 5.811 7.706 -0.946
413 1HB LEU 50 2HB LEU 50 2.894 7.325 -0.425
414 2HB LEU 50 1HB LEU 50 3.727 8.715 0.231
415 HG LEU 50 HG LEU 50 4.427 9.266 -2.145
416 1HD1 LEU 50 1HD1 LEU 50 3.062 8.351 -3.941
417 2HD1 LEU 50 2HD1 LEU 50 2.291 7.248 -2.801
418 3HD1 LEU 50 3HD1 LEU 50 4.012 7.089 -3.155
419 1HD2 LEU 50 1HD2 LEU 50 2.276 10.295 -2.672
420 2HD2 LEU 50 2HD2 LEU 50 2.685 10.478 -0.965
421 3HD2 LEU 50 3HD2 LEU 50 1.494 9.276 -1.463
422 H ILE 51 H ILE 51 3.650 6.193 1.516
423 HA ILE 51 HA ILE 51 5.602 7.179 3.482
424 HB ILE 51 HB ILE 51 3.913 8.150 4.861
425 1HG1 ILE 51 2HG1 ILE 51 2.079 6.550 4.379
426 2HG1 ILE 51 1HG1 ILE 51 1.552 8.225 4.310
427 1HG2 ILE 51 1HG2 ILE 51 3.543 9.054 2.013
428 2HG2 ILE 51 2HG2 ILE 51 4.808 9.579 3.124
429 3HG2 ILE 51 3HG2 ILE 51 3.123 9.983 3.450
430 1HD1 ILE 51 1HD1 ILE 51 1.575 8.142 1.881
431 2HD1 ILE 51 2HD1 ILE 51 0.550 6.875 2.555
432 3HD1 ILE 51 3HD1 ILE 51 2.152 6.473 1.939
433 H THR 52 H THR 52 4.622 6.618 5.794
434 HA THR 52 HA THR 52 4.761 3.765 5.983
435 HB THR 52 HB THR 52 5.901 4.723 7.733
436 HG1 THR 52 HG1 THR 52 4.572 3.293 8.784
437 1HG2 THR 52 1HG2 THR 52 5.151 6.652 9.049
438 2HG2 THR 52 2HG2 THR 52 3.671 6.720 8.091
439 3HG2 THR 52 3HG2 THR 52 5.231 7.028 7.327
440 H LEU 53 H LEU 53 3.270 2.474 7.206
441 HA LEU 53 HA LEU 53 0.632 2.625 6.288
442 1HB LEU 53 2HB LEU 53 1.654 0.530 6.896
443 2HB LEU 53 1HB LEU 53 1.900 1.077 8.542
444 HG LEU 53 HG LEU 53 -0.543 1.081 8.900
445 1HD1 LEU 53 1HD1 LEU 53 -0.659 -0.097 6.125
446 2HD1 LEU 53 2HD1 LEU 53 -1.256 1.491 6.604
447 3HD1 LEU 53 3HD1 LEU 53 -2.010 0.034 7.250
448 1HD2 LEU 53 1HD2 LEU 53 0.752 -0.886 9.496
449 2HD2 LEU 53 2HD2 LEU 53 0.585 -1.517 7.857
450 3HD2 LEU 53 3HD2 LEU 53 -0.835 -1.355 8.890
451 H ALA 54 H ALA 54 2.164 3.907 9.162
452 HA ALA 54 HA ALA 54 -0.117 4.305 10.749
453 1HB ALA 54 1HB ALA 54 2.176 4.562 11.585
454 2HB ALA 54 2HB ALA 54 1.193 5.985 11.926
455 3HB ALA 54 3HB ALA 54 2.363 6.018 10.607
456 H GLU 55 H GLU 55 1.329 6.268 8.201
457 HA GLU 55 HA GLU 55 -0.552 8.411 8.481
458 1HB GLU 55 2HB GLU 55 1.177 7.764 6.088
459 2HB GLU 55 1HB GLU 55 0.446 9.314 6.478
460 1HG GLU 55 2HG GLU 55 2.702 7.931 7.900
461 2HG GLU 55 1HG GLU 55 2.747 9.458 7.020
462 H ALA 56 H ALA 56 -0.225 5.538 6.507
463 HA ALA 56 HA ALA 56 -2.526 6.035 4.870
464 1HB ALA 56 1HB ALA 56 -1.048 3.461 5.424
465 2HB ALA 56 2HB ALA 56 -0.705 4.593 4.114
466 3HB ALA 56 3HB ALA 56 -2.237 3.717 4.145
467 H LYS 57 H LYS 57 -2.199 5.172 8.099
468 HA LYS 57 HA LYS 57 -4.719 3.747 8.218
469 1HB LYS 57 2HB LYS 57 -2.658 4.582 10.222
470 2HB LYS 57 1HB LYS 57 -4.273 4.159 10.776
471 1HG LYS 57 2HG LYS 57 -4.075 1.948 9.998
472 2HG LYS 57 1HG LYS 57 -2.663 2.335 9.017
473 1HD LYS 57 2HD LYS 57 -2.093 1.076 11.065
474 2HD LYS 57 1HD LYS 57 -1.322 2.660 11.002
475 1HE LYS 57 2HE LYS 57 -2.189 2.163 13.234
476 2HE LYS 57 1HE LYS 57 -2.991 3.555 12.516
477 1HZ LYS 57 1HZ LYS 57 -4.895 2.221 12.019
478 2HZ LYS 57 2HZ LYS 57 -4.513 2.008 13.654
479 3HZ LYS 57 3HZ LYS 57 -4.114 0.802 12.531
480 H GLN 58 H GLN 58 -3.417 6.891 9.169
481 HA GLN 58 HA GLN 58 -5.771 7.989 10.214
482 1HB GLN 58 2HB GLN 58 -3.443 9.340 8.841
483 2HB GLN 58 1HB GLN 58 -4.697 10.186 9.737
484 1HG GLN 58 2HG GLN 58 -4.022 9.216 11.782
485 2HG GLN 58 1HG GLN 58 -2.980 8.052 10.966
486 1HE2 GLN 58 1HE2 GLN 58 -1.002 8.703 10.192
487 2HE2 GLN 58 2HE2 GLN 58 -0.267 10.201 10.639
488 H THR 59 H THR 59 -4.577 7.804 6.909
489 HA THR 59 HA THR 59 -6.890 9.328 5.968
490 HB THR 59 HB THR 59 -4.578 8.367 4.291
491 HG1 THR 59 HG1 THR 59 -4.066 10.811 4.743
492 1HG2 THR 59 1HG2 THR 59 -6.585 9.164 3.098
493 2HG2 THR 59 2HG2 THR 59 -5.206 10.235 2.853
494 3HG2 THR 59 3HG2 THR 59 -6.489 10.690 3.976
495 H TYR 60 H TYR 60 -5.207 6.258 5.199
496 HA TYR 60 HA TYR 60 -7.568 5.459 3.664
497 1HB TYR 60 2HB TYR 60 -4.906 4.105 3.447
498 2HB TYR 60 1HB TYR 60 -6.214 4.144 2.278
499 HD1 TYR 60 HD1 TYR 60 -6.700 6.370 1.114
500 HD2 TYR 60 HD2 TYR 60 -3.127 5.623 3.283
501 HE1 TYR 60 HE1 TYR 60 -5.592 8.211 -0.085
502 HE2 TYR 60 HE2 TYR 60 -2.011 7.466 2.103
503 HH TYR 60 HH TYR 60 -3.749 9.681 0.075
504 H GLY 61 H GLY 61 -6.979 5.161 6.641
505 1HA GLY 61 2HA GLY 61 -5.963 2.665 7.270
506 2HA GLY 61 1HA GLY 61 -6.998 3.615 8.313
507 H LEU 62 H LEU 62 -9.299 3.519 6.537
508 HA LEU 62 HA LEU 62 -11.244 2.297 6.495
509 1HB LEU 62 2HB LEU 62 -9.711 -0.244 6.149
510 2HB LEU 62 1HB LEU 62 -11.180 0.281 5.351
511 HG LEU 62 HG LEU 62 -8.862 1.915 4.644
512 1HD1 LEU 62 1HD1 LEU 62 -7.788 0.213 3.255
513 2HD1 LEU 62 2HD1 LEU 62 -8.848 -1.018 3.945
514 3HD1 LEU 62 3HD1 LEU 62 -7.680 -0.182 4.972
515 1HD2 LEU 62 1HD2 LEU 62 -9.681 1.531 2.405
516 2HD2 LEU 62 2HD2 LEU 62 -11.021 1.963 3.470
517 3HD2 LEU 62 3HD2 LEU 62 -10.778 0.281 2.991
518 H SER 63 H SER 63 -9.739 -0.624 7.452
519 HA SER 63 HA SER 63 -9.853 -0.045 10.298
520 1HB SER 63 2HB SER 63 -10.837 -2.354 10.683
521 2HB SER 63 1HB SER 63 -11.956 -1.181 9.992
522 HG SER 63 HG SER 63 -11.999 -2.260 8.165
523 H ASP 64 H ASP 64 -8.293 -1.266 11.465
524 HA ASP 64 HA ASP 64 -5.869 -1.559 10.225
525 1HB ASP 64 2HB ASP 64 -6.930 -2.746 12.767
526 2HB ASP 64 1HB ASP 64 -5.304 -3.126 12.211
527 H GLU 65 H GLU 65 -8.100 -4.216 11.018
528 HA GLU 65 HA GLU 65 -6.405 -6.241 10.040
529 1HB GLU 65 2HB GLU 65 -8.413 -6.456 11.618
530 2HB GLU 65 1HB GLU 65 -9.403 -6.467 10.165
531 1HG GLU 65 2HG GLU 65 -9.014 -8.721 10.846
532 2HG GLU 65 1HG GLU 65 -8.112 -8.424 9.361
533 H GLU 66 H GLU 66 -8.855 -4.265 8.485
534 HA GLU 66 HA GLU 66 -9.174 -5.822 6.149
535 1HB GLU 66 2HB GLU 66 -10.711 -3.991 6.917
536 2HB GLU 66 1HB GLU 66 -9.496 -2.831 6.402
537 1HG GLU 66 2HG GLU 66 -9.724 -3.484 4.124
538 2HG GLU 66 1HG GLU 66 -10.754 -4.845 4.559
539 H PHE 67 H PHE 67 -7.210 -2.904 6.753
540 HA PHE 67 HA PHE 67 -6.038 -2.845 4.187
541 1HB PHE 67 2HB PHE 67 -6.110 -0.984 5.968
542 2HB PHE 67 1HB PHE 67 -4.706 -1.776 6.674
543 HD1 PHE 67 HD1 PHE 67 -2.671 -2.138 5.118
544 HD2 PHE 67 HD2 PHE 67 -5.844 0.570 4.278
545 HE1 PHE 67 HE1 PHE 67 -1.213 -0.918 3.556
546 HE2 PHE 67 HE2 PHE 67 -4.394 1.791 2.715
547 HZ PHE 67 HZ PHE 67 -2.077 1.045 2.349
548 H ASN 68 H ASN 68 -4.951 -4.197 7.286
549 HA ASN 68 HA ASN 68 -2.434 -5.119 6.366
550 1HB ASN 68 2HB ASN 68 -4.137 -5.962 8.710
551 2HB ASN 68 1HB ASN 68 -2.527 -6.604 8.406
552 1HD2 ASN 68 1HD2 ASN 68 -3.556 -5.040 10.649
553 2HD2 ASN 68 2HD2 ASN 68 -2.554 -3.626 10.747
554 H SER 69 H SER 69 -5.631 -6.395 6.091
555 HA SER 69 HA SER 69 -4.926 -9.094 5.598
556 1HB SER 69 2HB SER 69 -7.260 -8.078 6.123
557 2HB SER 69 1HB SER 69 -7.347 -7.766 4.390
558 HG SER 69 HG SER 69 -7.320 -9.916 3.980
559 H TRP 70 H TRP 70 -5.046 -6.204 3.635
560 HA TRP 70 HA TRP 70 -4.750 -7.508 1.117
561 1HB TRP 70 2HB TRP 70 -3.921 -4.699 1.881
562 2HB TRP 70 1HB TRP 70 -4.146 -5.308 0.249
563 HD1 TRP 70 HD1 TRP 70 -7.010 -6.796 1.589
564 HE1 TRP 70 HE1 TRP 70 -9.088 -5.271 1.541
565 HE3 TRP 70 HE3 TRP 70 -4.684 -2.301 0.904
566 HZ2 TRP 70 HZ2 TRP 70 -9.650 -2.520 1.242
567 HZ3 TRP 70 HZ3 TRP 70 -6.060 -0.274 0.739
568 HH2 TRP 70 HH2 TRP 70 -8.490 -0.381 0.904
569 H VAL 71 H VAL 71 -2.515 -5.996 3.406
570 HA VAL 71 HA VAL 71 -0.137 -6.356 1.963
571 HB VAL 71 HB VAL 71 -0.312 -6.506 4.966
572 1HG1 VAL 71 1HG1 VAL 71 1.803 -5.438 3.102
573 2HG1 VAL 71 2HG1 VAL 71 1.880 -6.933 4.034
574 3HG1 VAL 71 3HG1 VAL 71 1.868 -5.379 4.865
575 1HG2 VAL 71 1HG2 VAL 71 -0.356 -4.016 3.270
576 2HG2 VAL 71 2HG2 VAL 71 -0.198 -4.060 5.025
577 3HG2 VAL 71 3HG2 VAL 71 -1.682 -4.626 4.258
578 H SER 72 H SER 72 -1.729 -8.405 4.369
579 HA SER 72 HA SER 72 0.273 -10.404 4.398
580 1HB SER 72 2HB SER 72 -1.526 -11.766 5.543
581 2HB SER 72 1HB SER 72 -1.171 -10.208 6.288
582 HG SER 72 HG SER 72 -3.099 -9.508 5.787
583 H ALA 73 H ALA 73 -2.482 -9.819 2.346
584 HA ALA 73 HA ALA 73 -2.506 -12.425 1.144
585 1HB ALA 73 1HB ALA 73 -4.503 -10.997 1.123
586 2HB ALA 73 2HB ALA 73 -4.005 -11.431 -0.511
587 3HB ALA 73 3HB ALA 73 -3.649 -9.824 0.120
588 H LEU 74 H LEU 74 -0.914 -9.377 0.589
589 HA LEU 74 HA LEU 74 0.229 -10.115 -1.935
590 1HB LEU 74 2HB LEU 74 0.730 -7.882 0.022
591 2HB LEU 74 1HB LEU 74 1.701 -8.084 -1.429
592 HG LEU 74 HG LEU 74 -1.298 -7.731 -1.451
593 1HD1 LEU 74 1HD1 LEU 74 -0.230 -5.735 -0.558
594 2HD1 LEU 74 2HD1 LEU 74 -0.865 -5.445 -2.179
595 3HD1 LEU 74 3HD1 LEU 74 0.866 -5.690 -1.940
596 1HD2 LEU 74 1HD2 LEU 74 -0.371 -8.898 -3.393
597 2HD2 LEU 74 2HD2 LEU 74 0.760 -7.570 -3.650
598 3HD2 LEU 74 3HD2 LEU 74 -0.973 -7.298 -3.824
599 H ALA 75 H ALA 75 0.999 -10.594 1.377
600 HA ALA 75 HA ALA 75 3.761 -11.165 1.099
601 1HB ALA 75 1HB ALA 75 2.779 -10.714 3.286
602 2HB ALA 75 2HB ALA 75 3.545 -12.304 3.266
603 3HB ALA 75 3HB ALA 75 1.790 -12.171 3.156
604 H GLU 76 H GLU 76 0.835 -13.132 1.034
605 HA GLU 76 HA GLU 76 0.311 -15.118 0.092
606 1HB GLU 76 2HB GLU 76 1.547 -14.269 -1.874
607 2HB GLU 76 1HB GLU 76 3.024 -14.964 -1.226
608 1HG GLU 76 2HG GLU 76 2.043 -16.344 -2.984
609 2HG GLU 76 1HG GLU 76 2.116 -17.193 -1.439
610 H HIS 77 H HIS 77 3.712 -15.115 1.086
611 HA HIS 77 HA HIS 77 3.509 -17.825 2.076
612 1HB HIS 77 2HB HIS 77 5.786 -15.842 2.264
613 2HB HIS 77 1HB HIS 77 5.873 -17.548 2.694
614 HD1 HIS 77 HD1 HIS 77 6.588 -15.325 -0.021
615 HD2 HIS 77 HD2 HIS 77 5.209 -19.240 0.292
616 HE1 HIS 77 HE1 HIS 77 6.967 -16.363 -2.280
617 HE2 HIS 77 HE2 HIS 77 5.966 -18.672 -2.118
618 H GLY 78 H GLY 78 4.115 -14.610 3.460
619 1HA GLY 78 2HA GLY 78 3.275 -13.700 5.407
620 2HA GLY 78 1HA GLY 78 2.403 -15.195 5.684
621 H LYS 79 H LYS 79 4.251 -17.066 5.992
622 HA LYS 79 HA LYS 79 5.099 -16.705 8.631
623 1HB LYS 79 2HB LYS 79 6.007 -18.730 6.587
624 2HB LYS 79 1HB LYS 79 6.324 -18.836 8.313
625 1HG LYS 79 2HG LYS 79 3.628 -18.910 6.974
626 2HG LYS 79 1HG LYS 79 4.469 -20.262 7.736
627 1HD LYS 79 2HD LYS 79 4.364 -19.088 9.895
628 2HD LYS 79 1HD LYS 79 3.487 -17.767 9.122
629 1HE LYS 79 2HE LYS 79 2.568 -20.629 9.367
630 2HE LYS 79 1HE LYS 79 1.957 -19.254 10.283
631 1HZ LYS 79 1HZ LYS 79 0.419 -19.599 8.577
632 2HZ LYS 79 2HZ LYS 79 1.617 -19.838 7.404
633 3HZ LYS 79 3HZ LYS 79 1.347 -18.284 8.032
634 H ASP 80 H ASP 80 6.900 -16.492 5.601
635 HA ASP 80 HA ASP 80 9.459 -16.072 6.648
636 1HB ASP 80 2HB ASP 80 8.253 -14.801 4.174
637 2HB ASP 80 1HB ASP 80 9.971 -14.933 4.528
638 H ALA 81 H ALA 81 7.331 -13.596 5.348
639 HA ALA 81 HA ALA 81 6.586 -11.590 6.074
640 1HB ALA 81 1HB ALA 81 6.292 -12.618 8.274
641 2HB ALA 81 2HB ALA 81 6.809 -10.934 8.403
642 3HB ALA 81 3HB ALA 81 7.968 -12.236 8.672
643 H LEU 82 H LEU 82 9.881 -12.472 6.384
644 HA LEU 82 HA LEU 82 10.749 -9.681 6.237
645 1HB LEU 82 2HB LEU 82 12.856 -10.468 7.056
646 2HB LEU 82 1HB LEU 82 11.572 -11.137 8.044
647 HG LEU 82 HG LEU 82 11.856 -13.203 6.417
648 1HD1 LEU 82 1HD1 LEU 82 14.225 -13.565 5.874
649 2HD1 LEU 82 2HD1 LEU 82 14.579 -11.912 6.374
650 3HD1 LEU 82 3HD1 LEU 82 13.535 -12.206 4.986
651 1HD2 LEU 82 1HD2 LEU 82 12.075 -13.246 8.842
652 2HD2 LEU 82 2HD2 LEU 82 13.711 -12.599 8.715
653 3HD2 LEU 82 3HD2 LEU 82 13.343 -14.198 8.070
654 H LYS 83 H LYS 83 10.146 -12.297 4.285
655 HA LYS 83 HA LYS 83 12.237 -11.623 2.351
656 1HB LYS 83 2HB LYS 83 11.789 -14.019 3.062
657 2HB LYS 83 1HB LYS 83 10.258 -13.894 2.208
658 1HG LYS 83 2HG LYS 83 11.949 -14.997 0.853
659 2HG LYS 83 1HG LYS 83 11.437 -13.474 0.121
660 1HD LYS 83 2HD LYS 83 13.419 -12.368 0.970
661 2HD LYS 83 1HD LYS 83 13.912 -13.842 1.804
662 1HE LYS 83 2HE LYS 83 14.125 -14.989 -0.343
663 2HE LYS 83 1HE LYS 83 13.628 -13.519 -1.181
664 1HZ LYS 83 1HZ LYS 83 15.581 -12.407 -0.471
665 2HZ LYS 83 2HZ LYS 83 16.075 -13.909 -1.090
666 3HZ LYS 83 3HZ LYS 83 16.005 -13.664 0.584
667 H VAL 84 H VAL 84 9.081 -10.889 3.099
668 HA VAL 84 HA VAL 84 8.014 -10.682 0.435
669 HB VAL 84 HB VAL 84 6.993 -9.421 2.987
670 1HG1 VAL 84 1HG1 VAL 84 4.842 -9.340 1.817
671 2HG1 VAL 84 2HG1 VAL 84 5.609 -9.991 0.369
672 3HG1 VAL 84 3HG1 VAL 84 6.078 -8.403 0.976
673 1HG2 VAL 84 1HG2 VAL 84 6.280 -12.073 1.740
674 2HG2 VAL 84 2HG2 VAL 84 5.470 -11.341 3.125
675 3HG2 VAL 84 3HG2 VAL 84 7.160 -11.830 3.249
676 H THR 85 H THR 85 8.719 -9.167 -0.932
677 HA THR 85 HA THR 85 10.524 -7.181 -0.322
678 HB THR 85 HB THR 85 8.598 -7.030 -2.638
679 HG1 THR 85 HG1 THR 85 9.478 -8.809 -3.373
680 1HG2 THR 85 1HG2 THR 85 10.102 -5.112 -2.374
681 2HG2 THR 85 2HG2 THR 85 10.526 -6.057 -3.803
682 3HG2 THR 85 3HG2 THR 85 11.490 -6.201 -2.334
683 H ALA 86 H ALA 86 7.001 -6.940 -0.415
684 HA ALA 86 HA ALA 86 6.839 -4.119 -0.273
685 1HB ALA 86 1HB ALA 86 4.828 -6.154 0.682
686 2HB ALA 86 2HB ALA 86 4.966 -5.554 -0.970
687 3HB ALA 86 3HB ALA 86 4.515 -4.453 0.331
688 H LEU 87 H LEU 87 7.177 -6.606 2.173
689 HA LEU 87 HA LEU 87 6.614 -4.722 4.325
690 1HB LEU 87 2HB LEU 87 5.867 -7.246 4.146
691 2HB LEU 87 1HB LEU 87 7.478 -7.561 4.753
692 HG LEU 87 HG LEU 87 5.707 -7.560 6.504
693 1HD1 LEU 87 1HD1 LEU 87 7.798 -5.415 6.837
694 2HD1 LEU 87 2HD1 LEU 87 8.044 -7.143 7.089
695 3HD1 LEU 87 3HD1 LEU 87 6.939 -6.249 8.135
696 1HD2 LEU 87 1HD2 LEU 87 5.552 -4.617 5.864
697 2HD2 LEU 87 2HD2 LEU 87 4.804 -5.404 7.254
698 3HD2 LEU 87 3HD2 LEU 87 4.278 -5.814 5.621
699 H LYS 88 H LYS 88 9.197 -6.671 2.972
700 HA LYS 88 HA LYS 88 11.223 -6.044 4.801
701 1HB LYS 88 2HB LYS 88 11.492 -7.838 3.195
702 2HB LYS 88 1HB LYS 88 11.370 -6.709 1.853
703 1HG LYS 88 2HG LYS 88 13.472 -5.705 2.430
704 2HG LYS 88 1HG LYS 88 13.573 -6.669 3.904
705 1HD LYS 88 2HD LYS 88 13.711 -8.710 2.582
706 2HD LYS 88 1HD LYS 88 13.543 -7.775 1.095
707 1HE LYS 88 2HE LYS 88 15.884 -8.434 1.616
708 2HE LYS 88 1HE LYS 88 15.647 -6.693 1.461
709 1HZ LYS 88 1HZ LYS 88 17.050 -7.420 3.386
710 2HZ LYS 88 2HZ LYS 88 15.656 -8.102 4.074
711 3HZ LYS 88 3HZ LYS 88 15.737 -6.432 3.791
712 H LYS 89 H LYS 89 10.006 -4.344 1.952
713 HA LYS 89 HA LYS 89 12.033 -2.310 2.016
714 1HB LYS 89 2HB LYS 89 10.391 -2.966 0.072
715 2HB LYS 89 1HB LYS 89 9.317 -1.821 0.871
716 1HG LYS 89 2HG LYS 89 11.008 -0.076 0.650
717 2HG LYS 89 1HG LYS 89 12.068 -1.217 -0.186
718 1HD LYS 89 2HD LYS 89 10.320 -1.498 -1.917
719 2HD LYS 89 1HD LYS 89 9.348 -0.273 -1.096
720 1HE LYS 89 2HE LYS 89 10.546 0.724 -2.944
721 2HE LYS 89 1HE LYS 89 11.164 1.351 -1.416
722 1HZ LYS 89 1HZ LYS 89 12.959 0.821 -2.929
723 2HZ LYS 89 2HZ LYS 89 12.422 -0.783 -3.059
724 3HZ LYS 89 3HZ LYS 89 13.017 -0.205 -1.580
725 H TYR 90 H TYR 90 8.728 -2.601 3.213
726 HA TYR 90 HA TYR 90 8.411 -0.005 4.160
727 1HB TYR 90 2HB TYR 90 6.572 -1.629 4.006
728 2HB TYR 90 1HB TYR 90 7.288 -2.566 5.313
729 HD1 TYR 90 HD1 TYR 90 6.026 0.861 4.569
730 HD2 TYR 90 HD2 TYR 90 6.587 -2.181 7.488
731 HE1 TYR 90 HE1 TYR 90 4.782 2.207 6.201
732 HE2 TYR 90 HE2 TYR 90 5.336 -0.843 9.131
733 HH TYR 90 HH TYR 90 4.667 1.390 9.565
734 H ARG 91 H ARG 91 9.526 -2.889 5.928
735 HA ARG 91 HA ARG 91 9.987 -1.511 8.360
736 1HB ARG 91 2HB ARG 91 9.719 -4.070 7.817
737 2HB ARG 91 1HB ARG 91 11.469 -4.014 7.661
738 1HG ARG 91 2HG ARG 91 11.713 -3.275 9.924
739 2HG ARG 91 1HG ARG 91 9.967 -3.082 10.094
740 1HD ARG 91 2HD ARG 91 9.808 -5.567 9.558
741 2HD ARG 91 1HD ARG 91 11.548 -5.626 9.835
742 HE ARG 91 HE ARG 91 10.212 -4.365 12.001
743 1HH1 ARG 91 1HH1 ARG 91 10.888 -7.497 10.591
744 2HH1 ARG 91 2HH1 ARG 91 10.663 -8.361 12.087
745 1HH2 ARG 91 1HH2 ARG 91 9.914 -5.492 13.962
746 2HH2 ARG 91 2HH2 ARG 91 10.107 -7.220 14.009
747 H GLN 92 H GLN 92 11.982 -2.203 5.571
748 HA GLN 92 HA GLN 92 14.456 -1.288 6.615
749 1HB GLN 92 2HB GLN 92 14.373 -2.632 4.599
750 2HB GLN 92 1HB GLN 92 13.386 -1.423 3.790
751 1HG GLN 92 2HG GLN 92 15.369 0.153 4.113
752 2HG GLN 92 1HG GLN 92 16.296 -1.299 4.500
753 1HE2 GLN 92 1HE2 GLN 92 13.671 -1.228 2.202
754 2HE2 GLN 92 2HE2 GLN 92 14.632 -1.474 0.783
755 H LEU 93 H LEU 93 11.874 0.255 4.779
756 HA LEU 93 HA LEU 93 13.165 2.686 4.267
757 1HB LEU 93 2HB LEU 93 11.308 1.970 2.941
758 2HB LEU 93 1HB LEU 93 10.261 1.885 4.341
759 HG LEU 93 HG LEU 93 10.495 4.397 4.547
760 1HD1 LEU 93 1HD1 LEU 93 12.540 4.675 3.278
761 2HD1 LEU 93 2HD1 LEU 93 11.233 5.612 2.552
762 3HD1 LEU 93 3HD1 LEU 93 11.740 4.089 1.823
763 1HD2 LEU 93 1HD2 LEU 93 9.282 3.295 2.015
764 2HD2 LEU 93 2HD2 LEU 93 8.910 4.863 2.733
765 3HD2 LEU 93 3HD2 LEU 93 8.506 3.379 3.596
766 H LEU 94 H LEU 94 11.198 1.649 6.995
767 HA LEU 94 HA LEU 94 10.961 4.266 8.134
768 1HB LEU 94 2HB LEU 94 10.331 1.501 9.041
769 2HB LEU 94 1HB LEU 94 10.483 2.752 10.258
770 HG LEU 94 HG LEU 94 8.713 4.053 9.109
771 1HD1 LEU 94 1HD1 LEU 94 7.335 2.940 7.416
772 2HD1 LEU 94 2HD1 LEU 94 8.473 1.592 7.382
773 3HD1 LEU 94 3HD1 LEU 94 8.987 3.194 6.853
774 1HD2 LEU 94 1HD2 LEU 94 7.972 1.236 9.881
775 2HD2 LEU 94 2HD2 LEU 94 6.858 2.599 9.779
776 3HD2 LEU 94 3HD2 LEU 94 8.156 2.606 10.975
777 H GLU 95 H GLU 95 13.457 1.972 8.024
778 HA GLU 95 HA GLU 95 14.711 3.112 10.427
779 1HB GLU 95 2HB GLU 95 14.232 0.652 10.456
780 2HB GLU 95 1HB GLU 95 15.328 0.468 9.095
781 1HG GLU 95 2HG GLU 95 16.327 -0.104 11.284
782 2HG GLU 95 1HG GLU 95 17.193 1.159 10.408
783 H HIS 96 H HIS 96 17.167 3.123 10.278
784 HA HIS 96 HA HIS 96 18.039 3.738 7.540
785 1HB HIS 96 2HB HIS 96 18.544 5.376 10.029
786 2HB HIS 96 1HB HIS 96 19.454 5.582 8.533
787 HD1 HIS 96 HD1 HIS 96 16.660 6.988 10.232
788 HD2 HIS 96 HD2 HIS 96 17.485 6.040 6.266
789 HE1 HIS 96 HE1 HIS 96 15.030 8.319 8.862
790 HE2 HIS 96 HE2 HIS 96 15.435 7.592 6.485
791 H HIS 97 H HIS 97 20.236 3.419 7.106
792 HA HIS 97 HA HIS 97 21.280 1.057 8.105
793 1HB HIS 97 2HB HIS 97 23.452 1.795 6.998
794 2HB HIS 97 1HB HIS 97 22.028 1.687 5.978
795 HD1 HIS 97 HD1 HIS 97 23.307 3.267 4.322
796 HD2 HIS 97 HD2 HIS 97 22.313 4.997 7.976
797 HE1 HIS 97 HE1 HIS 97 23.538 5.750 3.989
798 HE2 HIS 97 HE2 HIS 97 22.734 6.777 6.137
799 H HIS 98 H HIS 98 22.879 0.468 9.462
800 HA HIS 98 HA HIS 98 24.309 0.488 11.206
801 1HB HIS 98 2HB HIS 98 24.363 3.452 10.710
802 2HB HIS 98 1HB HIS 98 25.230 2.707 12.049
803 HD1 HIS 98 HD1 HIS 98 26.754 0.496 11.067
804 HD2 HIS 98 HD2 HIS 98 25.981 3.743 8.574
805 HE1 HIS 98 HE1 HIS 98 28.509 0.404 9.259
806 HE2 HIS 98 HE2 HIS 98 27.952 2.309 7.699
807 H HIS 99 H HIS 99 21.255 1.653 11.237
808 HA HIS 99 HA HIS 99 21.200 1.684 14.176
809 1HB HIS 99 2HB HIS 99 19.125 2.428 12.109
810 2HB HIS 99 1HB HIS 99 18.719 2.205 13.806
811 HD1 HIS 99 HD1 HIS 99 18.004 4.705 13.968
812 HD2 HIS 99 HD2 HIS 99 22.005 4.114 12.995
813 HE1 HIS 99 HE1 HIS 99 19.115 6.936 14.277
814 HE2 HIS 99 HE2 HIS 99 21.477 6.603 13.465
815 H HIS 100 H HIS 100 20.235 -0.027 11.324
816 HA HIS 100 HA HIS 100 19.767 -2.454 12.822
817 1HB HIS 100 2HB HIS 100 17.557 -1.355 12.842
818 2HB HIS 100 1HB HIS 100 17.613 -1.208 11.091
819 HD1 HIS 100 HD1 HIS 100 17.252 -3.405 9.713
820 HD2 HIS 100 HD2 HIS 100 16.776 -3.825 13.815
821 HE1 HIS 100 HE1 HIS 100 16.057 -5.584 10.030
822 HE2 HIS 100 HE2 HIS 100 15.571 -5.690 12.497
823 H HIS 101 H HIS 101 19.999 -4.299 11.510
824 HA HIS 101 HA HIS 101 20.328 -3.942 8.638
825 1HB HIS 101 2HB HIS 101 22.600 -3.591 9.520
826 2HB HIS 101 1HB HIS 101 22.505 -5.116 10.392
827 HD1 HIS 101 HD1 HIS 101 22.954 -7.259 9.092
828 HD2 HIS 101 HD2 HIS 101 22.969 -3.844 6.712
829 HE1 HIS 101 HE1 HIS 101 23.893 -7.983 6.874
830 HE2 HIS 101 HE2 HIS 101 23.810 -5.930 5.415
Start of MODEL 16
1 1H MET 1 1H MET 1 6.178 25.027 -17.443
2 2H MET 1 2H MET 1 5.669 23.994 -18.684
3 3H MET 1 3H MET 1 7.152 23.727 -17.912
4 HA MET 1 HA MET 1 5.931 23.406 -15.802
5 1HB MET 1 2HB MET 1 3.621 23.488 -17.729
6 2HB MET 1 1HB MET 1 3.514 22.669 -16.173
7 1HG MET 1 2HG MET 1 4.105 25.582 -16.636
8 2HG MET 1 1HG MET 1 2.612 24.893 -15.999
9 1HE MET 1 1HE MET 1 4.338 26.779 -12.953
10 2HE MET 1 2HE MET 1 2.920 26.735 -14.003
11 3HE MET 1 3HE MET 1 4.483 27.230 -14.652
12 H MET 2 H MET 2 5.855 22.032 -19.028
13 HA MET 2 HA MET 2 6.005 19.336 -18.009
14 1HB MET 2 2HB MET 2 6.360 18.650 -20.273
15 2HB MET 2 1HB MET 2 5.123 19.895 -20.301
16 1HG MET 2 2HG MET 2 8.029 20.287 -20.987
17 2HG MET 2 1HG MET 2 6.708 20.126 -22.139
18 1HE MET 2 1HE MET 2 7.413 22.347 -23.345
19 2HE MET 2 2HE MET 2 8.765 22.539 -22.226
20 3HE MET 2 3HE MET 2 7.668 23.886 -22.521
21 H PHE 3 H PHE 3 7.922 18.035 -18.070
22 HA PHE 3 HA PHE 3 10.128 17.602 -17.687
23 1HB PHE 3 2HB PHE 3 10.488 18.715 -19.869
24 2HB PHE 3 1HB PHE 3 10.601 20.269 -19.057
25 HD1 PHE 3 HD1 PHE 3 12.711 21.099 -18.865
26 HD2 PHE 3 HD2 PHE 3 12.158 16.885 -18.709
27 HE1 PHE 3 HE1 PHE 3 15.140 20.793 -18.624
28 HE2 PHE 3 HE2 PHE 3 14.586 16.571 -18.467
29 HZ PHE 3 HZ PHE 3 16.077 18.529 -18.425
30 H LEU 4 H LEU 4 8.386 19.067 -15.849
31 HA LEU 4 HA LEU 4 10.310 20.710 -14.364
32 1HB LEU 4 2HB LEU 4 8.137 21.738 -14.887
33 2HB LEU 4 1HB LEU 4 7.319 20.455 -14.017
34 HG LEU 4 HG LEU 4 8.446 21.200 -11.931
35 1HD1 LEU 4 1HD1 LEU 4 10.407 22.249 -12.933
36 2HD1 LEU 4 2HD1 LEU 4 9.544 23.380 -11.889
37 3HD1 LEU 4 3HD1 LEU 4 9.384 23.500 -13.641
38 1HD2 LEU 4 1HD2 LEU 4 7.099 23.213 -11.624
39 2HD2 LEU 4 2HD2 LEU 4 6.193 21.949 -12.458
40 3HD2 LEU 4 3HD2 LEU 4 6.848 23.312 -13.368
41 H ARG 5 H ARG 5 11.528 19.132 -13.412
42 HA ARG 5 HA ARG 5 12.188 17.737 -11.770
43 1HB ARG 5 2HB ARG 5 9.810 19.029 -10.488
44 2HB ARG 5 1HB ARG 5 10.739 17.805 -9.635
45 1HG ARG 5 2HG ARG 5 12.780 19.229 -10.107
46 2HG ARG 5 1HG ARG 5 11.652 20.496 -10.599
47 1HD ARG 5 2HD ARG 5 10.641 20.516 -8.426
48 2HD ARG 5 1HD ARG 5 11.582 19.114 -7.922
49 HE ARG 5 HE ARG 5 12.839 21.708 -8.579
50 1HH1 ARG 5 1HH1 ARG 5 12.459 18.916 -6.502
51 2HH1 ARG 5 2HH1 ARG 5 13.690 19.416 -5.388
52 1HH2 ARG 5 1HH2 ARG 5 14.475 22.363 -7.112
53 2HH2 ARG 5 2HH2 ARG 5 14.857 21.350 -5.744
54 H LYS 6 H LYS 6 10.327 16.647 -13.808
55 HA LYS 6 HA LYS 6 9.240 14.409 -12.274
56 1HB LYS 6 2HB LYS 6 8.972 15.151 -15.189
57 2HB LYS 6 1HB LYS 6 8.332 13.663 -14.503
58 1HG LYS 6 2HG LYS 6 7.057 15.124 -12.874
59 2HG LYS 6 1HG LYS 6 7.514 16.488 -13.892
60 1HD LYS 6 2HD LYS 6 6.405 15.425 -15.802
61 2HD LYS 6 1HD LYS 6 5.947 14.061 -14.776
62 1HE LYS 6 2HE LYS 6 4.700 15.638 -13.324
63 2HE LYS 6 1HE LYS 6 5.084 16.936 -14.450
64 1HZ LYS 6 1HZ LYS 6 2.897 16.120 -14.902
65 2HZ LYS 6 2HZ LYS 6 3.452 14.522 -15.016
66 3HZ LYS 6 3HZ LYS 6 3.910 15.662 -16.184
67 H VAL 7 H VAL 7 12.121 15.252 -13.207
68 HA VAL 7 HA VAL 7 12.992 12.467 -13.564
69 HB VAL 7 HB VAL 7 14.363 14.844 -14.853
70 1HG1 VAL 7 1HG1 VAL 7 15.888 13.045 -14.320
71 2HG1 VAL 7 2HG1 VAL 7 15.634 13.104 -16.064
72 3HG1 VAL 7 3HG1 VAL 7 14.824 11.874 -15.096
73 1HG2 VAL 7 1HG2 VAL 7 13.557 14.012 -16.996
74 2HG2 VAL 7 2HG2 VAL 7 12.207 14.421 -15.935
75 3HG2 VAL 7 3HG2 VAL 7 12.661 12.734 -16.173
76 H GLU 8 H GLU 8 14.896 11.952 -12.399
77 HA GLU 8 HA GLU 8 16.082 11.940 -10.477
78 1HB GLU 8 2HB GLU 8 16.471 14.799 -11.330
79 2HB GLU 8 1HB GLU 8 17.199 14.170 -9.856
80 1HG GLU 8 2HG GLU 8 17.637 13.078 -12.632
81 2HG GLU 8 1HG GLU 8 18.756 14.110 -11.739
82 H GLY 9 H GLY 9 14.247 11.396 -9.323
83 1HA GLY 9 2HA GLY 9 13.018 11.658 -7.356
84 2HA GLY 9 1HA GLY 9 13.410 13.371 -7.366
85 HA PRO 10 HA PRO 10 9.674 13.168 -10.362
86 1HB PRO 10 2HB PRO 10 8.668 10.742 -11.068
87 2HB PRO 10 1HB PRO 10 9.919 11.573 -11.997
88 1HG PRO 10 2HG PRO 10 10.187 9.348 -10.025
89 2HG PRO 10 1HG PRO 10 11.030 9.591 -11.566
90 1HD PRO 10 2HD PRO 10 12.154 10.146 -9.156
91 2HD PRO 10 1HD PRO 10 12.566 11.018 -10.643
92 H ARG 11 H ARG 11 7.349 12.845 -10.008
93 HA ARG 11 HA ARG 11 6.906 12.396 -7.171
94 1HB ARG 11 2HB ARG 11 6.151 14.463 -8.493
95 2HB ARG 11 1HB ARG 11 4.885 13.433 -9.145
96 1HG ARG 11 2HG ARG 11 3.855 13.181 -7.067
97 2HG ARG 11 1HG ARG 11 5.283 13.742 -6.192
98 1HD ARG 11 2HD ARG 11 4.974 15.966 -7.288
99 2HD ARG 11 1HD ARG 11 3.448 15.370 -7.935
100 HE ARG 11 HE ARG 11 2.485 15.643 -5.879
101 1HH1 ARG 11 1HH1 ARG 11 5.976 15.713 -5.478
102 2HH1 ARG 11 2HH1 ARG 11 5.906 16.352 -3.873
103 1HH2 ARG 11 1HH2 ARG 11 2.403 16.519 -3.769
104 2HH2 ARG 11 2HH2 ARG 11 3.882 16.828 -2.900
105 H SER 12 H SER 12 5.965 11.055 -10.256
106 HA SER 12 HA SER 12 4.209 9.114 -8.969
107 1HB SER 12 2HB SER 12 4.932 9.471 -11.892
108 2HB SER 12 1HB SER 12 3.710 8.368 -11.262
109 HG SER 12 HG SER 12 2.392 9.999 -10.860
110 H VAL 13 H VAL 13 4.699 6.949 -8.783
111 HA VAL 13 HA VAL 13 7.509 6.257 -9.334
112 HB VAL 13 HB VAL 13 7.273 4.520 -7.582
113 1HG1 VAL 13 1HG1 VAL 13 8.223 6.685 -7.009
114 2HG1 VAL 13 2HG1 VAL 13 7.291 6.037 -5.659
115 3HG1 VAL 13 3HG1 VAL 13 6.612 7.315 -6.665
116 1HG2 VAL 13 1HG2 VAL 13 4.855 4.185 -7.709
117 2HG2 VAL 13 2HG2 VAL 13 4.594 5.806 -7.060
118 3HG2 VAL 13 3HG2 VAL 13 5.358 4.568 -6.063
119 H THR 14 H THR 14 8.011 4.320 -10.324
120 HA THR 14 HA THR 14 5.772 3.011 -11.688
121 HB THR 14 HB THR 14 8.717 2.724 -12.309
122 HG1 THR 14 HG1 THR 14 8.067 4.891 -12.616
123 1HG2 THR 14 1HG2 THR 14 7.262 0.929 -13.157
124 2HG2 THR 14 2HG2 THR 14 7.924 1.905 -14.468
125 3HG2 THR 14 3HG2 THR 14 6.251 2.133 -13.955
126 H LEU 15 H LEU 15 5.068 1.183 -10.870
127 HA LEU 15 HA LEU 15 6.524 -0.343 -8.932
128 1HB LEU 15 2HB LEU 15 4.041 -1.099 -10.484
129 2HB LEU 15 1HB LEU 15 4.618 -1.859 -9.016
130 HG LEU 15 HG LEU 15 3.647 0.995 -9.199
131 1HD1 LEU 15 1HD1 LEU 15 1.659 0.175 -8.025
132 2HD1 LEU 15 2HD1 LEU 15 2.261 -1.477 -8.165
133 3HD1 LEU 15 3HD1 LEU 15 1.832 -0.569 -9.615
134 1HD2 LEU 15 1HD2 LEU 15 5.246 0.659 -7.403
135 2HD2 LEU 15 2HD2 LEU 15 4.340 -0.743 -6.833
136 3HD2 LEU 15 3HD2 LEU 15 3.621 0.866 -6.746
137 HA PRO 16 HA PRO 16 8.731 -3.191 -11.564
138 1HB PRO 16 2HB PRO 16 7.724 -5.346 -9.786
139 2HB PRO 16 1HB PRO 16 9.385 -4.923 -10.211
140 1HG PRO 16 2HG PRO 16 8.402 -4.353 -7.798
141 2HG PRO 16 1HG PRO 16 9.507 -3.242 -8.626
142 1HD PRO 16 2HD PRO 16 6.540 -3.070 -8.294
143 2HD PRO 16 1HD PRO 16 7.758 -1.778 -8.253
144 H ASP 17 H ASP 17 5.396 -3.514 -10.797
145 HA ASP 17 HA ASP 17 4.731 -5.639 -12.571
146 1HB ASP 17 2HB ASP 17 2.941 -3.418 -11.550
147 2HB ASP 17 1HB ASP 17 2.420 -4.961 -12.212
148 H GLY 18 H GLY 18 5.533 -2.355 -13.037
149 1HA GLY 18 2HA GLY 18 5.930 -1.461 -15.207
150 2HA GLY 18 1HA GLY 18 4.703 -2.545 -15.849
151 H SER 19 H SER 19 3.565 -1.244 -13.027
152 HA SER 19 HA SER 19 1.905 0.645 -14.527
153 1HB SER 19 2HB SER 19 0.755 -1.151 -13.255
154 2HB SER 19 1HB SER 19 1.481 -0.544 -11.768
155 HG SER 19 HG SER 19 -0.743 0.169 -12.304
156 H ILE 20 H ILE 20 1.727 2.788 -13.930
157 HA ILE 20 HA ILE 20 3.736 3.747 -12.020
158 HB ILE 20 HB ILE 20 3.287 6.006 -13.008
159 1HG1 ILE 20 2HG1 ILE 20 1.776 4.455 -15.129
160 2HG1 ILE 20 1HG1 ILE 20 1.006 5.439 -13.890
161 1HG2 ILE 20 1HG2 ILE 20 4.531 5.575 -15.084
162 2HG2 ILE 20 2HG2 ILE 20 4.214 3.849 -14.898
163 3HG2 ILE 20 3HG2 ILE 20 5.196 4.700 -13.706
164 1HD1 ILE 20 1HD1 ILE 20 1.141 6.619 -16.007
165 2HD1 ILE 20 2HD1 ILE 20 2.895 6.432 -16.009
166 3HD1 ILE 20 3HD1 ILE 20 2.116 7.420 -14.773
167 H MET 21 H MET 21 3.161 4.636 -10.136
168 HA MET 21 HA MET 21 0.276 5.035 -9.693
169 1HB MET 21 2HB MET 21 2.395 4.026 -7.808
170 2HB MET 21 1HB MET 21 0.804 4.546 -7.271
171 1HG MET 21 2HG MET 21 1.388 2.298 -9.183
172 2HG MET 21 1HG MET 21 0.912 2.140 -7.496
173 1HE MET 21 1HE MET 21 -2.750 3.552 -7.563
174 2HE MET 21 2HE MET 21 -1.256 4.412 -7.187
175 3HE MET 21 3HE MET 21 -1.516 2.781 -6.565
176 H THR 22 H THR 22 -0.425 6.832 -8.789
177 HA THR 22 HA THR 22 1.484 8.758 -7.664
178 HB THR 22 HB THR 22 -0.857 9.840 -9.157
179 HG1 THR 22 HG1 THR 22 -0.122 8.442 -10.726
180 1HG2 THR 22 1HG2 THR 22 0.762 11.603 -9.719
181 2HG2 THR 22 2HG2 THR 22 2.034 10.681 -8.916
182 3HG2 THR 22 3HG2 THR 22 0.687 11.328 -7.979
183 H ARG 23 H ARG 23 0.122 10.488 -6.378
184 HA ARG 23 HA ARG 23 -1.336 9.041 -4.438
185 1HB ARG 23 2HB ARG 23 -0.045 11.194 -4.079
186 2HB ARG 23 1HB ARG 23 -1.421 12.035 -4.780
187 1HG ARG 23 2HG ARG 23 -2.861 11.176 -3.015
188 2HG ARG 23 1HG ARG 23 -1.501 10.291 -2.323
189 1HD ARG 23 2HD ARG 23 -1.749 12.282 -1.056
190 2HD ARG 23 1HD ARG 23 -0.324 12.489 -2.070
191 HE ARG 23 HE ARG 23 -2.867 13.571 -3.035
192 1HH1 ARG 23 1HH1 ARG 23 0.338 14.114 -1.743
193 2HH1 ARG 23 2HH1 ARG 23 0.305 15.827 -2.007
194 1HH2 ARG 23 1HH2 ARG 23 -2.921 15.819 -3.412
195 2HH2 ARG 23 2HH2 ARG 23 -1.557 16.803 -2.980
196 H ALA 24 H ALA 24 -2.344 10.907 -7.233
197 HA ALA 24 HA ALA 24 -5.140 10.846 -6.520
198 1HB ALA 24 1HB ALA 24 -4.167 12.675 -7.860
199 2HB ALA 24 2HB ALA 24 -5.529 11.887 -8.660
200 3HB ALA 24 3HB ALA 24 -3.879 11.531 -9.169
201 H ASP 25 H ASP 25 -3.054 8.520 -7.634
202 HA ASP 25 HA ASP 25 -5.127 7.105 -9.152
203 1HB ASP 25 2HB ASP 25 -2.181 6.561 -8.774
204 2HB ASP 25 1HB ASP 25 -3.270 5.407 -9.535
205 H LEU 26 H LEU 26 -4.220 7.544 -6.072
206 HA LEU 26 HA LEU 26 -4.688 4.811 -5.167
207 1HB LEU 26 2HB LEU 26 -4.007 7.356 -3.691
208 2HB LEU 26 1HB LEU 26 -4.315 5.824 -2.898
209 HG LEU 26 HG LEU 26 -2.088 6.294 -4.880
210 1HD1 LEU 26 1HD1 LEU 26 -1.723 7.603 -2.862
211 2HD1 LEU 26 2HD1 LEU 26 -0.609 6.238 -2.925
212 3HD1 LEU 26 3HD1 LEU 26 -2.017 6.178 -1.867
213 1HD2 LEU 26 1HD2 LEU 26 -2.833 3.984 -4.790
214 2HD2 LEU 26 2HD2 LEU 26 -2.695 3.990 -3.033
215 3HD2 LEU 26 3HD2 LEU 26 -1.252 4.155 -4.029
216 HA PRO 27 HA PRO 27 -9.080 5.251 -4.479
217 1HB PRO 27 2HB PRO 27 -8.251 3.828 -1.970
218 2HB PRO 27 1HB PRO 27 -9.617 3.499 -3.045
219 1HG PRO 27 2HG PRO 27 -7.461 1.996 -3.188
220 2HG PRO 27 1HG PRO 27 -8.264 2.528 -4.672
221 1HD PRO 27 2HD PRO 27 -5.730 3.502 -3.441
222 2HD PRO 27 1HD PRO 27 -6.165 3.349 -5.156
223 HA PRO 28 HA PRO 28 -8.482 8.907 -1.928
224 1HB PRO 28 2HB PRO 28 -11.050 9.798 -2.938
225 2HB PRO 28 1HB PRO 28 -9.443 10.442 -3.274
226 1HG PRO 28 2HG PRO 28 -10.948 9.145 -5.132
227 2HG PRO 28 1HG PRO 28 -9.176 9.144 -5.145
228 1HD PRO 28 2HD PRO 28 -11.066 7.034 -4.167
229 2HD PRO 28 1HD PRO 28 -9.562 6.857 -5.098
230 H ALA 29 H ALA 29 -9.138 6.967 -0.331
231 HA ALA 29 HA ALA 29 -10.050 6.568 1.704
232 1HB ALA 29 1HB ALA 29 -11.312 8.275 2.866
233 2HB ALA 29 2HB ALA 29 -11.534 9.168 1.361
234 3HB ALA 29 3HB ALA 29 -9.920 8.992 2.053
235 H ASN 30 H ASN 30 -12.644 8.036 -0.249
236 HA ASN 30 HA ASN 30 -14.594 6.168 0.703
237 1HB ASN 30 2HB ASN 30 -14.688 8.104 -1.621
238 2HB ASN 30 1HB ASN 30 -16.068 7.193 -1.017
239 1HD2 ASN 30 1HD2 ASN 30 -16.963 7.734 0.972
240 2HD2 ASN 30 2HD2 ASN 30 -16.633 9.257 1.749
241 H THR 31 H THR 31 -13.459 6.781 -2.608
242 HA THR 31 HA THR 31 -12.950 5.401 -4.348
243 HB THR 31 HB THR 31 -13.098 3.066 -2.440
244 HG1 THR 31 HG1 THR 31 -11.563 4.181 -1.458
245 1HG2 THR 31 1HG2 THR 31 -11.471 2.067 -3.966
246 2HG2 THR 31 2HG2 THR 31 -11.494 3.521 -4.961
247 3HG2 THR 31 3HG2 THR 31 -12.937 2.518 -4.837
248 H ARG 32 H ARG 32 -14.166 4.494 -5.932
249 HA ARG 32 HA ARG 32 -16.928 3.859 -5.212
250 1HB ARG 32 2HB ARG 32 -16.563 5.585 -6.921
251 2HB ARG 32 1HB ARG 32 -15.681 4.428 -7.910
252 1HG ARG 32 2HG ARG 32 -17.580 3.308 -8.533
253 2HG ARG 32 1HG ARG 32 -18.477 3.812 -7.099
254 1HD ARG 32 2HD ARG 32 -19.287 4.916 -9.133
255 2HD ARG 32 1HD ARG 32 -18.649 6.064 -7.962
256 HE ARG 32 HE ARG 32 -16.541 5.570 -9.615
257 1HH1 ARG 32 1HH1 ARG 32 -19.828 6.635 -10.052
258 2HH1 ARG 32 2HH1 ARG 32 -19.493 7.544 -11.491
259 1HH2 ARG 32 1HH2 ARG 32 -16.064 6.787 -11.514
260 2HH2 ARG 32 2HH2 ARG 32 -17.348 7.657 -12.307
261 H ARG 33 H ARG 33 -16.705 1.814 -4.415
262 HA ARG 33 HA ARG 33 -16.874 -0.443 -4.518
263 1HB ARG 33 2HB ARG 33 -17.983 -0.160 -6.692
264 2HB ARG 33 1HB ARG 33 -16.421 -0.131 -7.491
265 1HG ARG 33 2HG ARG 33 -16.013 -2.422 -6.893
266 2HG ARG 33 1HG ARG 33 -17.495 -2.471 -5.936
267 1HD ARG 33 2HD ARG 33 -18.815 -2.077 -7.945
268 2HD ARG 33 1HD ARG 33 -17.344 -1.987 -8.909
269 HE ARG 33 HE ARG 33 -17.012 -4.393 -8.019
270 1HH1 ARG 33 1HH1 ARG 33 -20.119 -2.944 -8.796
271 2HH1 ARG 33 2HH1 ARG 33 -20.835 -4.461 -9.267
272 1HH2 ARG 33 1HH2 ARG 33 -17.959 -6.354 -8.644
273 2HH2 ARG 33 2HH2 ARG 33 -19.601 -6.387 -9.211
274 H TRP 34 H TRP 34 -15.253 -1.261 -3.408
275 HA TRP 34 HA TRP 34 -12.504 -0.915 -4.235
276 1HB TRP 34 2HB TRP 34 -13.799 -2.266 -1.869
277 2HB TRP 34 1HB TRP 34 -12.065 -2.325 -2.153
278 HD1 TRP 34 HD1 TRP 34 -14.854 0.205 -1.341
279 HE1 TRP 34 HE1 TRP 34 -13.776 2.242 -0.195
280 HE3 TRP 34 HE3 TRP 34 -9.943 -1.096 -1.858
281 HZ2 TRP 34 HZ2 TRP 34 -11.175 3.172 0.401
282 HZ3 TRP 34 HZ3 TRP 34 -8.220 0.423 -0.978
283 HH2 TRP 34 HH2 TRP 34 -8.827 2.512 0.128
284 H VAL 35 H VAL 35 -12.373 -2.117 -6.166
285 HA VAL 35 HA VAL 35 -12.828 -4.967 -6.095
286 HB VAL 35 HB VAL 35 -11.895 -5.020 -8.346
287 1HG1 VAL 35 1HG1 VAL 35 -14.234 -4.408 -8.085
288 2HG1 VAL 35 2HG1 VAL 35 -13.517 -3.582 -9.470
289 3HG1 VAL 35 3HG1 VAL 35 -13.787 -2.705 -7.963
290 1HG2 VAL 35 1HG2 VAL 35 -10.117 -3.358 -8.039
291 2HG2 VAL 35 2HG2 VAL 35 -11.330 -2.079 -7.989
292 3HG2 VAL 35 3HG2 VAL 35 -11.099 -3.014 -9.463
293 H ALA 36 H ALA 36 -10.930 -6.417 -6.818
294 HA ALA 36 HA ALA 36 -9.032 -6.420 -4.760
295 1HB ALA 36 1HB ALA 36 -9.714 -8.428 -5.990
296 2HB ALA 36 2HB ALA 36 -7.961 -8.244 -5.954
297 3HB ALA 36 3HB ALA 36 -8.863 -7.838 -7.416
298 H SER 37 H SER 37 -8.771 -5.330 -8.120
299 HA SER 37 HA SER 37 -6.034 -4.745 -8.140
300 1HB SER 37 2HB SER 37 -8.224 -3.306 -9.659
301 2HB SER 37 1HB SER 37 -6.513 -3.363 -10.085
302 HG SER 37 HG SER 37 -6.713 -5.392 -10.758
303 H ARG 38 H ARG 38 -8.754 -2.951 -6.849
304 HA ARG 38 HA ARG 38 -7.379 -0.460 -6.643
305 1HB ARG 38 2HB ARG 38 -9.909 -1.496 -5.379
306 2HB ARG 38 1HB ARG 38 -9.255 0.088 -4.993
307 1HG ARG 38 2HG ARG 38 -9.956 -0.796 -7.781
308 2HG ARG 38 1HG ARG 38 -11.058 0.073 -6.716
309 1HD ARG 38 2HD ARG 38 -10.003 1.633 -8.223
310 2HD ARG 38 1HD ARG 38 -9.428 1.924 -6.582
311 HE ARG 38 HE ARG 38 -7.401 0.612 -7.287
312 1HH1 ARG 38 1HH1 ARG 38 -9.334 2.348 -9.647
313 2HH1 ARG 38 2HH1 ARG 38 -8.018 2.531 -10.766
314 1HH2 ARG 38 1HH2 ARG 38 -5.673 0.870 -8.769
315 2HH2 ARG 38 2HH2 ARG 38 -5.943 1.724 -10.259
316 H LYS 39 H LYS 39 -8.072 -3.086 -4.382
317 HA LYS 39 HA LYS 39 -6.996 -1.810 -2.108
318 1HB LYS 39 2HB LYS 39 -7.295 -4.765 -2.665
319 2HB LYS 39 1HB LYS 39 -7.015 -4.045 -1.085
320 1HG LYS 39 2HG LYS 39 -9.164 -2.800 -1.359
321 2HG LYS 39 1HG LYS 39 -9.451 -3.750 -2.819
322 1HD LYS 39 2HD LYS 39 -9.360 -5.806 -1.523
323 2HD LYS 39 1HD LYS 39 -9.016 -4.883 -0.059
324 1HE LYS 39 2HE LYS 39 -11.206 -3.690 -0.447
325 2HE LYS 39 1HE LYS 39 -11.543 -4.894 -1.691
326 1HZ LYS 39 1HZ LYS 39 -11.208 -6.618 0.055
327 2HZ LYS 39 2HZ LYS 39 -12.554 -5.616 0.318
328 3HZ LYS 39 3HZ LYS 39 -11.130 -5.372 1.210
329 H ILE 40 H ILE 40 -5.604 -4.288 -4.250
330 HA ILE 40 HA ILE 40 -3.086 -4.428 -3.067
331 HB ILE 40 HB ILE 40 -3.861 -4.880 -5.953
332 1HG1 ILE 40 2HG1 ILE 40 -3.567 -6.788 -3.623
333 2HG1 ILE 40 1HG1 ILE 40 -5.084 -6.300 -4.372
334 1HG2 ILE 40 1HG2 ILE 40 -1.822 -6.268 -6.065
335 2HG2 ILE 40 2HG2 ILE 40 -1.373 -5.688 -4.461
336 3HG2 ILE 40 3HG2 ILE 40 -1.478 -4.558 -5.811
337 1HD1 ILE 40 1HD1 ILE 40 -2.886 -7.884 -5.682
338 2HD1 ILE 40 2HD1 ILE 40 -4.391 -7.385 -6.453
339 3HD1 ILE 40 3HD1 ILE 40 -4.426 -8.513 -5.097
340 H ALA 41 H ALA 41 -4.400 -2.166 -5.409
341 HA ALA 41 HA ALA 41 -1.972 -0.929 -6.137
342 1HB ALA 41 1HB ALA 41 -4.082 -0.686 -7.396
343 2HB ALA 41 2HB ALA 41 -3.312 0.856 -7.030
344 3HB ALA 41 3HB ALA 41 -4.713 0.326 -6.097
345 H VAL 42 H VAL 42 -4.137 -0.479 -3.400
346 HA VAL 42 HA VAL 42 -3.090 2.028 -2.572
347 HB VAL 42 HB VAL 42 -4.263 -0.008 -0.678
348 1HG1 VAL 42 1HG1 VAL 42 -5.005 1.958 0.546
349 2HG1 VAL 42 2HG1 VAL 42 -4.332 3.009 -0.700
350 3HG1 VAL 42 3HG1 VAL 42 -3.261 2.015 0.287
351 1HG2 VAL 42 1HG2 VAL 42 -6.466 0.922 -1.159
352 2HG2 VAL 42 2HG2 VAL 42 -5.767 0.150 -2.584
353 3HG2 VAL 42 3HG2 VAL 42 -5.773 1.911 -2.444
354 H VAL 43 H VAL 43 -2.494 -1.297 -1.424
355 HA VAL 43 HA VAL 43 -0.519 -0.601 0.446
356 HB VAL 43 HB VAL 43 0.183 -3.170 -0.476
357 1HG1 VAL 43 1HG1 VAL 43 -0.796 -3.887 1.651
358 2HG1 VAL 43 2HG1 VAL 43 -1.592 -2.321 1.811
359 3HG1 VAL 43 3HG1 VAL 43 0.169 -2.424 1.839
360 1HG2 VAL 43 1HG2 VAL 43 -1.987 -4.344 -0.407
361 2HG2 VAL 43 2HG2 VAL 43 -1.842 -3.275 -1.803
362 3HG2 VAL 43 3HG2 VAL 43 -2.810 -2.784 -0.413
363 H ARG 44 H ARG 44 -0.206 -1.572 -2.960
364 HA ARG 44 HA ARG 44 2.614 -1.448 -3.097
365 1HB ARG 44 2HB ARG 44 0.370 -1.402 -5.042
366 2HB ARG 44 1HB ARG 44 1.905 -0.761 -5.608
367 1HG ARG 44 2HG ARG 44 2.992 -2.830 -5.321
368 2HG ARG 44 1HG ARG 44 1.670 -3.477 -4.345
369 1HD ARG 44 2HD ARG 44 0.280 -3.765 -6.179
370 2HD ARG 44 1HD ARG 44 1.160 -2.593 -7.154
371 HE ARG 44 HE ARG 44 2.594 -4.254 -7.843
372 1HH1 ARG 44 1HH1 ARG 44 0.804 -5.442 -5.066
373 2HH1 ARG 44 2HH1 ARG 44 1.206 -7.097 -5.366
374 1HH2 ARG 44 1HH2 ARG 44 3.076 -6.430 -8.258
375 2HH2 ARG 44 2HH2 ARG 44 2.496 -7.672 -7.177
376 H GLY 45 H GLY 45 0.114 1.004 -3.600
377 1HA GLY 45 2HA GLY 45 1.871 2.989 -4.597
378 2HA GLY 45 1HA GLY 45 0.241 3.248 -4.010
379 H VAL 46 H VAL 46 0.452 2.543 -1.338
380 HA VAL 46 HA VAL 46 1.716 4.930 -0.391
381 HB VAL 46 HB VAL 46 0.968 4.260 1.863
382 1HG1 VAL 46 1HG1 VAL 46 -1.443 4.366 1.398
383 2HG1 VAL 46 2HG1 VAL 46 -1.111 4.048 -0.305
384 3HG1 VAL 46 3HG1 VAL 46 -0.516 5.526 0.450
385 1HG2 VAL 46 1HG2 VAL 46 1.197 1.836 1.666
386 2HG2 VAL 46 2HG2 VAL 46 -0.126 1.797 0.499
387 3HG2 VAL 46 3HG2 VAL 46 -0.433 2.284 2.166
388 H ILE 47 H ILE 47 2.377 1.471 0.061
389 HA ILE 47 HA ILE 47 4.450 1.756 1.934
390 HB ILE 47 HB ILE 47 3.671 -0.446 0.044
391 1HG1 ILE 47 2HG1 ILE 47 3.573 -0.173 3.053
392 2HG1 ILE 47 1HG1 ILE 47 2.209 -0.019 1.952
393 1HG2 ILE 47 1HG2 ILE 47 5.257 -1.940 1.132
394 2HG2 ILE 47 2HG2 ILE 47 5.912 -0.586 2.054
395 3HG2 ILE 47 3HG2 ILE 47 6.087 -0.626 0.297
396 1HD1 ILE 47 1HD1 ILE 47 2.220 -2.182 3.061
397 2HD1 ILE 47 2HD1 ILE 47 3.825 -2.515 2.409
398 3HD1 ILE 47 3HD1 ILE 47 2.447 -2.360 1.319
399 H TYR 48 H TYR 48 4.541 1.448 -1.592
400 HA TYR 48 HA TYR 48 7.452 1.578 -1.541
401 1HB TYR 48 2HB TYR 48 6.436 -0.151 -2.894
402 2HB TYR 48 1HB TYR 48 5.455 1.035 -3.742
403 HD1 TYR 48 HD1 TYR 48 9.113 0.580 -3.022
404 HD2 TYR 48 HD2 TYR 48 6.080 1.383 -5.893
405 HE1 TYR 48 HE1 TYR 48 10.828 0.738 -4.782
406 HE2 TYR 48 HE2 TYR 48 7.784 1.543 -7.663
407 HH TYR 48 HH TYR 48 10.170 1.993 -7.884
408 H GLY 49 H GLY 49 4.683 3.515 -2.436
409 1HA GLY 49 2HA GLY 49 6.425 5.386 -3.877
410 2HA GLY 49 1HA GLY 49 4.685 5.283 -4.040
411 H LEU 50 H LEU 50 3.833 5.535 -1.367
412 HA LEU 50 HA LEU 50 4.144 8.431 -1.547
413 1HB LEU 50 2HB LEU 50 1.930 7.411 -1.892
414 2HB LEU 50 1HB LEU 50 1.958 6.826 -0.240
415 HG LEU 50 HG LEU 50 1.983 9.140 0.585
416 1HD1 LEU 50 1HD1 LEU 50 1.771 9.876 -2.327
417 2HD1 LEU 50 2HD1 LEU 50 3.146 10.190 -1.269
418 3HD1 LEU 50 3HD1 LEU 50 1.603 10.991 -0.972
419 1HD2 LEU 50 1HD2 LEU 50 -0.160 8.004 0.262
420 2HD2 LEU 50 2HD2 LEU 50 -0.232 8.608 -1.394
421 3HD2 LEU 50 3HD2 LEU 50 -0.296 9.736 -0.038
422 H ILE 51 H ILE 51 3.247 6.384 1.277
423 HA ILE 51 HA ILE 51 5.168 7.816 2.900
424 HB ILE 51 HB ILE 51 3.223 8.455 4.524
425 1HG1 ILE 51 2HG1 ILE 51 1.235 9.321 3.239
426 2HG1 ILE 51 1HG1 ILE 51 1.812 8.411 1.853
427 1HG2 ILE 51 1HG2 ILE 51 3.134 10.702 3.533
428 2HG2 ILE 51 2HG2 ILE 51 3.885 10.067 2.070
429 3HG2 ILE 51 3HG2 ILE 51 4.771 10.047 3.595
430 1HD1 ILE 51 1HD1 ILE 51 0.050 7.216 2.986
431 2HD1 ILE 51 2HD1 ILE 51 0.957 7.266 4.499
432 3HD1 ILE 51 3HD1 ILE 51 1.573 6.338 3.133
433 H THR 52 H THR 52 4.601 7.356 5.335
434 HA THR 52 HA THR 52 4.793 4.528 5.640
435 HB THR 52 HB THR 52 4.960 5.053 8.069
436 HG1 THR 52 HG1 THR 52 5.098 7.387 8.541
437 1HG2 THR 52 1HG2 THR 52 6.690 6.770 6.281
438 2HG2 THR 52 2HG2 THR 52 6.979 5.077 6.682
439 3HG2 THR 52 3HG2 THR 52 7.067 6.310 7.940
440 H LEU 53 H LEU 53 3.502 3.385 7.323
441 HA LEU 53 HA LEU 53 0.776 3.433 6.602
442 1HB LEU 53 2HB LEU 53 1.927 1.389 7.282
443 2HB LEU 53 1HB LEU 53 2.149 2.034 8.897
444 HG LEU 53 HG LEU 53 -0.249 1.956 9.304
445 1HD1 LEU 53 1HD1 LEU 53 -1.784 0.990 7.678
446 2HD1 LEU 53 2HD1 LEU 53 -0.475 0.854 6.505
447 3HD1 LEU 53 3HD1 LEU 53 -1.023 2.445 7.036
448 1HD2 LEU 53 1HD2 LEU 53 0.833 -0.610 8.149
449 2HD2 LEU 53 2HD2 LEU 53 -0.570 -0.481 9.210
450 3HD2 LEU 53 3HD2 LEU 53 1.031 -0.040 9.806
451 H ALA 54 H ALA 54 2.546 5.130 9.019
452 HA ALA 54 HA ALA 54 0.527 5.637 10.891
453 1HB ALA 54 1HB ALA 54 2.770 7.460 10.028
454 2HB ALA 54 2HB ALA 54 2.870 6.214 11.271
455 3HB ALA 54 3HB ALA 54 1.822 7.614 11.506
456 H GLU 55 H GLU 55 1.462 7.464 7.993
457 HA GLU 55 HA GLU 55 -0.608 9.401 8.233
458 1HB GLU 55 2HB GLU 55 1.652 9.432 6.900
459 2HB GLU 55 1HB GLU 55 0.701 8.692 5.623
460 1HG GLU 55 2HG GLU 55 -0.101 11.275 6.925
461 2HG GLU 55 1HG GLU 55 1.008 11.212 5.561
462 H ALA 56 H ALA 56 -0.155 6.575 6.132
463 HA ALA 56 HA ALA 56 -2.603 6.612 4.799
464 1HB ALA 56 1HB ALA 56 -0.693 5.174 4.191
465 2HB ALA 56 2HB ALA 56 -2.205 4.274 4.313
466 3HB ALA 56 3HB ALA 56 -1.012 4.174 5.608
467 H LYS 57 H LYS 57 -1.842 5.164 7.981
468 HA LYS 57 HA LYS 57 -4.363 3.879 8.205
469 1HB LYS 57 2HB LYS 57 -2.442 3.153 9.519
470 2HB LYS 57 1HB LYS 57 -2.401 4.697 10.354
471 1HG LYS 57 2HG LYS 57 -4.350 4.225 11.558
472 2HG LYS 57 1HG LYS 57 -4.804 2.912 10.476
473 1HD LYS 57 2HD LYS 57 -3.933 2.121 12.659
474 2HD LYS 57 1HD LYS 57 -2.992 1.547 11.282
475 1HE LYS 57 2HE LYS 57 -1.311 3.258 11.696
476 2HE LYS 57 1HE LYS 57 -2.266 3.895 13.035
477 1HZ LYS 57 1HZ LYS 57 -1.231 1.115 12.952
478 2HZ LYS 57 2HZ LYS 57 -1.907 1.926 14.278
479 3HZ LYS 57 3HZ LYS 57 -0.394 2.394 13.677
480 H GLN 58 H GLN 58 -3.157 7.007 9.359
481 HA GLN 58 HA GLN 58 -5.484 7.667 10.824
482 1HB GLN 58 2HB GLN 58 -3.293 9.389 9.680
483 2HB GLN 58 1HB GLN 58 -4.586 10.017 10.691
484 1HG GLN 58 2HG GLN 58 -3.879 8.563 12.513
485 2HG GLN 58 1HG GLN 58 -2.595 7.908 11.497
486 1HE2 GLN 58 1HE2 GLN 58 -1.002 8.581 12.931
487 2HE2 GLN 58 2HE2 GLN 58 -0.557 10.253 13.092
488 H THR 59 H THR 59 -4.588 8.175 7.456
489 HA THR 59 HA THR 59 -7.040 9.726 7.046
490 HB THR 59 HB THR 59 -4.849 9.203 5.035
491 HG1 THR 59 HG1 THR 59 -3.710 10.661 6.045
492 1HG2 THR 59 1HG2 THR 59 -5.770 11.207 3.947
493 2HG2 THR 59 2HG2 THR 59 -7.022 11.297 5.184
494 3HG2 THR 59 3HG2 THR 59 -6.975 9.927 4.075
495 H TYR 60 H TYR 60 -5.325 6.977 5.542
496 HA TYR 60 HA TYR 60 -7.809 6.243 4.178
497 1HB TYR 60 2HB TYR 60 -5.055 5.239 3.502
498 2HB TYR 60 1HB TYR 60 -6.505 5.136 2.521
499 HD1 TYR 60 HD1 TYR 60 -7.274 7.032 1.215
500 HD2 TYR 60 HD2 TYR 60 -3.788 7.330 3.643
501 HE1 TYR 60 HE1 TYR 60 -6.642 9.104 0.048
502 HE2 TYR 60 HE2 TYR 60 -3.151 9.399 2.483
503 HH TYR 60 HH TYR 60 -3.534 10.643 0.600
504 H GLY 61 H GLY 61 -6.849 5.524 7.009
505 1HA GLY 61 2HA GLY 61 -5.788 2.917 6.985
506 2HA GLY 61 1HA GLY 61 -6.499 3.722 8.368
507 H LEU 62 H LEU 62 -9.027 3.949 6.591
508 HA LEU 62 HA LEU 62 -11.042 2.897 6.523
509 1HB LEU 62 2HB LEU 62 -9.869 0.212 6.096
510 2HB LEU 62 1HB LEU 62 -11.119 1.047 5.197
511 HG LEU 62 HG LEU 62 -8.758 2.445 4.629
512 1HD1 LEU 62 1HD1 LEU 62 -7.463 0.587 5.537
513 2HD1 LEU 62 2HD1 LEU 62 -7.264 0.702 3.786
514 3HD1 LEU 62 3HD1 LEU 62 -8.318 -0.534 4.475
515 1HD2 LEU 62 1HD2 LEU 62 -10.145 0.330 2.999
516 2HD2 LEU 62 2HD2 LEU 62 -9.094 1.615 2.391
517 3HD2 LEU 62 3HD2 LEU 62 -10.649 2.018 3.123
518 H SER 63 H SER 63 -9.702 -0.132 7.399
519 HA SER 63 HA SER 63 -9.995 0.212 10.246
520 1HB SER 63 2HB SER 63 -12.290 -0.464 9.461
521 2HB SER 63 1HB SER 63 -11.581 -1.931 8.790
522 HG SER 63 HG SER 63 -12.050 -2.678 10.719
523 H ASP 64 H ASP 64 -8.848 -1.463 11.377
524 HA ASP 64 HA ASP 64 -6.488 -2.330 10.257
525 1HB ASP 64 2HB ASP 64 -6.826 -2.405 12.661
526 2HB ASP 64 1HB ASP 64 -8.077 -3.629 12.485
527 H GLU 65 H GLU 65 -9.484 -4.136 10.602
528 HA GLU 65 HA GLU 65 -8.789 -6.608 9.645
529 1HB GLU 65 2HB GLU 65 -11.399 -5.223 9.021
530 2HB GLU 65 1HB GLU 65 -11.126 -6.944 9.267
531 1HG GLU 65 2HG GLU 65 -11.023 -6.749 11.543
532 2HG GLU 65 1HG GLU 65 -10.471 -5.076 11.482
533 H GLU 66 H GLU 66 -9.803 -3.781 7.760
534 HA GLU 66 HA GLU 66 -9.970 -5.096 5.262
535 1HB GLU 66 2HB GLU 66 -11.076 -2.939 5.768
536 2HB GLU 66 1HB GLU 66 -9.501 -2.167 5.853
537 1HG GLU 66 2HG GLU 66 -10.499 -1.675 3.736
538 2HG GLU 66 1HG GLU 66 -9.123 -2.748 3.484
539 H PHE 67 H PHE 67 -7.547 -2.743 6.395
540 HA PHE 67 HA PHE 67 -5.770 -3.077 4.265
541 1HB PHE 67 2HB PHE 67 -5.773 -1.176 5.889
542 2HB PHE 67 1HB PHE 67 -5.092 -2.254 7.099
543 HD1 PHE 67 HD1 PHE 67 -4.445 -0.392 4.025
544 HD2 PHE 67 HD2 PHE 67 -2.771 -2.942 6.994
545 HE1 PHE 67 HE1 PHE 67 -2.188 0.179 3.235
546 HE2 PHE 67 HE2 PHE 67 -0.506 -2.377 6.206
547 HZ PHE 67 HZ PHE 67 -0.216 -0.812 4.325
548 H ASN 68 H ASN 68 -6.064 -4.743 7.333
549 HA ASN 68 HA ASN 68 -3.680 -6.177 7.448
550 1HB ASN 68 2HB ASN 68 -5.918 -6.002 8.970
551 2HB ASN 68 1HB ASN 68 -6.153 -7.590 8.258
552 1HD2 ASN 68 1HD2 ASN 68 -5.603 -6.673 11.008
553 2HD2 ASN 68 2HD2 ASN 68 -4.220 -7.579 11.513
554 H SER 69 H SER 69 -6.736 -6.949 5.852
555 HA SER 69 HA SER 69 -6.044 -9.553 5.034
556 1HB SER 69 2HB SER 69 -8.063 -7.648 3.833
557 2HB SER 69 1HB SER 69 -8.003 -9.391 3.568
558 HG SER 69 HG SER 69 -8.739 -7.952 5.870
559 H TRP 70 H TRP 70 -5.489 -6.393 3.591
560 HA TRP 70 HA TRP 70 -4.945 -7.244 0.962
561 1HB TRP 70 2HB TRP 70 -3.706 -4.889 2.408
562 2HB TRP 70 1HB TRP 70 -3.807 -5.112 0.665
563 HD1 TRP 70 HD1 TRP 70 -7.074 -6.167 1.652
564 HE1 TRP 70 HE1 TRP 70 -8.786 -4.243 1.640
565 HE3 TRP 70 HE3 TRP 70 -3.837 -2.220 1.495
566 HZ2 TRP 70 HZ2 TRP 70 -8.754 -1.416 1.538
567 HZ3 TRP 70 HZ3 TRP 70 -4.759 0.058 1.438
568 HH2 TRP 70 HH2 TRP 70 -7.165 0.449 1.459
569 H VAL 71 H VAL 71 -2.792 -6.619 3.708
570 HA VAL 71 HA VAL 71 -0.429 -7.396 2.331
571 HB VAL 71 HB VAL 71 -0.840 -7.322 5.317
572 1HG1 VAL 71 1HG1 VAL 71 1.650 -7.008 3.642
573 2HG1 VAL 71 2HG1 VAL 71 1.226 -8.408 4.628
574 3HG1 VAL 71 3HG1 VAL 71 1.562 -6.859 5.397
575 1HG2 VAL 71 1HG2 VAL 71 -1.567 -5.211 4.351
576 2HG2 VAL 71 2HG2 VAL 71 -0.045 -5.074 3.470
577 3HG2 VAL 71 3HG2 VAL 71 -0.054 -5.001 5.234
578 H SER 72 H SER 72 -2.718 -9.090 4.417
579 HA SER 72 HA SER 72 -1.223 -11.443 4.774
580 1HB SER 72 2HB SER 72 -3.216 -10.913 6.113
581 2HB SER 72 1HB SER 72 -4.233 -11.097 4.686
582 HG SER 72 HG SER 72 -2.752 -13.090 6.073
583 H ALA 73 H ALA 73 -3.468 -10.438 2.228
584 HA ALA 73 HA ALA 73 -3.459 -12.970 0.894
585 1HB ALA 73 1HB ALA 73 -4.660 -11.813 -0.881
586 2HB ALA 73 2HB ALA 73 -4.284 -10.258 -0.139
587 3HB ALA 73 3HB ALA 73 -5.334 -11.402 0.697
588 H LEU 74 H LEU 74 -1.513 -10.111 0.807
589 HA LEU 74 HA LEU 74 -0.213 -10.801 -1.673
590 1HB LEU 74 2HB LEU 74 0.303 -8.668 0.396
591 2HB LEU 74 1HB LEU 74 1.262 -8.855 -1.066
592 HG LEU 74 HG LEU 74 -1.713 -8.333 -1.034
593 1HD1 LEU 74 1HD1 LEU 74 0.573 -6.440 -1.544
594 2HD1 LEU 74 2HD1 LEU 74 -0.520 -6.417 -0.157
595 3HD1 LEU 74 3HD1 LEU 74 -1.140 -6.077 -1.774
596 1HD2 LEU 74 1HD2 LEU 74 -0.946 -9.516 -3.021
597 2HD2 LEU 74 2HD2 LEU 74 0.289 -8.286 -3.284
598 3HD2 LEU 74 3HD2 LEU 74 -1.417 -7.860 -3.409
599 H ALA 75 H ALA 75 0.296 -11.275 1.730
600 HA ALA 75 HA ALA 75 3.015 -12.153 1.505
601 1HB ALA 75 1HB ALA 75 2.730 -12.915 3.821
602 2HB ALA 75 2HB ALA 75 1.005 -12.561 3.721
603 3HB ALA 75 3HB ALA 75 2.184 -11.252 3.605
604 H GLU 76 H GLU 76 -0.150 -13.695 1.748
605 HA GLU 76 HA GLU 76 -0.927 -15.708 1.079
606 1HB GLU 76 2HB GLU 76 1.732 -15.760 -0.285
607 2HB GLU 76 1HB GLU 76 0.756 -17.222 -0.233
608 1HG GLU 76 2HG GLU 76 -0.276 -14.594 -1.251
609 2HG GLU 76 1HG GLU 76 0.503 -15.794 -2.282
610 H HIS 77 H HIS 77 2.347 -15.897 2.391
611 HA HIS 77 HA HIS 77 1.699 -18.458 3.634
612 1HB HIS 77 2HB HIS 77 4.314 -16.939 3.539
613 2HB HIS 77 1HB HIS 77 4.093 -18.534 4.247
614 HD1 HIS 77 HD1 HIS 77 4.101 -20.523 2.687
615 HD2 HIS 77 HD2 HIS 77 4.204 -16.876 0.688
616 HE1 HIS 77 HE1 HIS 77 4.592 -21.079 0.285
617 HE2 HIS 77 HE2 HIS 77 4.877 -18.849 -0.851
618 H GLY 78 H GLY 78 3.649 -15.760 4.907
619 1HA GLY 78 2HA GLY 78 3.007 -14.425 6.797
620 2HA GLY 78 1HA GLY 78 1.864 -15.683 7.253
621 H LYS 79 H LYS 79 3.796 -17.813 6.777
622 HA LYS 79 HA LYS 79 5.146 -17.905 9.265
623 1HB LYS 79 2HB LYS 79 4.412 -19.900 7.958
624 2HB LYS 79 1HB LYS 79 5.647 -19.536 6.763
625 1HG LYS 79 2HG LYS 79 6.394 -21.302 8.226
626 2HG LYS 79 1HG LYS 79 7.379 -19.859 8.475
627 1HD LYS 79 2HD LYS 79 6.211 -19.330 10.497
628 2HD LYS 79 1HD LYS 79 5.014 -20.592 10.195
629 1HE LYS 79 2HE LYS 79 7.949 -21.010 10.761
630 2HE LYS 79 1HE LYS 79 6.617 -21.304 11.883
631 1HZ LYS 79 1HZ LYS 79 5.759 -22.905 10.141
632 2HZ LYS 79 2HZ LYS 79 7.147 -23.385 10.984
633 3HZ LYS 79 3HZ LYS 79 7.282 -22.784 9.404
634 H ASP 80 H ASP 80 5.906 -16.786 6.103
635 HA ASP 80 HA ASP 80 8.738 -16.406 6.715
636 1HB ASP 80 2HB ASP 80 8.963 -15.881 4.326
637 2HB ASP 80 1HB ASP 80 8.201 -17.446 4.567
638 H ALA 81 H ALA 81 6.804 -14.842 8.094
639 HA ALA 81 HA ALA 81 6.501 -12.267 6.953
640 1HB ALA 81 1HB ALA 81 5.107 -13.109 8.805
641 2HB ALA 81 2HB ALA 81 5.841 -11.549 9.168
642 3HB ALA 81 3HB ALA 81 6.509 -13.018 9.874
643 H LEU 82 H LEU 82 9.235 -13.838 7.936
644 HA LEU 82 HA LEU 82 10.680 -11.500 8.863
645 1HB LEU 82 2HB LEU 82 11.131 -13.785 9.752
646 2HB LEU 82 1HB LEU 82 11.700 -14.259 8.164
647 HG LEU 82 HG LEU 82 13.518 -12.593 8.336
648 1HD1 LEU 82 1HD1 LEU 82 12.416 -11.023 9.847
649 2HD1 LEU 82 2HD1 LEU 82 13.976 -11.539 10.492
650 3HD1 LEU 82 3HD1 LEU 82 12.484 -12.215 11.145
651 1HD2 LEU 82 1HD2 LEU 82 13.361 -14.563 10.615
652 2HD2 LEU 82 2HD2 LEU 82 14.835 -13.803 10.019
653 3HD2 LEU 82 3HD2 LEU 82 13.927 -14.902 8.981
654 H LYS 83 H LYS 83 9.819 -12.979 5.943
655 HA LYS 83 HA LYS 83 11.930 -11.556 4.477
656 1HB LYS 83 2HB LYS 83 11.715 -13.970 3.973
657 2HB LYS 83 1HB LYS 83 10.045 -13.714 3.490
658 1HG LYS 83 2HG LYS 83 10.906 -12.134 1.732
659 2HG LYS 83 1HG LYS 83 12.530 -12.691 2.137
660 1HD LYS 83 2HD LYS 83 11.702 -13.921 0.225
661 2HD LYS 83 1HD LYS 83 11.830 -15.005 1.612
662 1HE LYS 83 2HE LYS 83 9.465 -14.883 2.001
663 2HE LYS 83 1HE LYS 83 9.279 -13.640 0.766
664 1HZ LYS 83 1HZ LYS 83 10.103 -16.457 0.294
665 2HZ LYS 83 2HZ LYS 83 9.976 -15.263 -0.897
666 3HZ LYS 83 3HZ LYS 83 8.591 -15.779 -0.070
667 H VAL 84 H VAL 84 8.798 -12.499 3.207
668 HA VAL 84 HA VAL 84 7.354 -11.347 1.870
669 HB VAL 84 HB VAL 84 7.287 -9.478 4.242
670 1HG1 VAL 84 1HG1 VAL 84 6.077 -8.631 2.305
671 2HG1 VAL 84 2HG1 VAL 84 4.951 -9.125 3.570
672 3HG1 VAL 84 3HG1 VAL 84 5.206 -10.158 2.164
673 1HG2 VAL 84 1HG2 VAL 84 5.767 -12.046 3.790
674 2HG2 VAL 84 2HG2 VAL 84 5.553 -10.937 5.145
675 3HG2 VAL 84 3HG2 VAL 84 7.072 -11.811 4.954
676 H THR 85 H THR 85 8.187 -10.485 0.076
677 HA THR 85 HA THR 85 10.288 -8.730 -0.159
678 HB THR 85 HB THR 85 9.257 -8.151 -2.435
679 HG1 THR 85 HG1 THR 85 7.587 -10.254 -2.458
680 1HG2 THR 85 1HG2 THR 85 9.724 -10.403 -3.319
681 2HG2 THR 85 2HG2 THR 85 9.702 -11.040 -1.674
682 3HG2 THR 85 3HG2 THR 85 10.945 -9.886 -2.153
683 H ALA 86 H ALA 86 6.846 -7.888 -0.014
684 HA ALA 86 HA ALA 86 7.260 -5.107 -0.436
685 1HB ALA 86 1HB ALA 86 4.918 -4.856 0.139
686 2HB ALA 86 2HB ALA 86 4.881 -6.497 0.782
687 3HB ALA 86 3HB ALA 86 5.140 -6.233 -0.940
688 H LEU 87 H LEU 87 7.436 -7.118 2.369
689 HA LEU 87 HA LEU 87 6.996 -4.898 4.207
690 1HB LEU 87 2HB LEU 87 5.992 -7.160 4.609
691 2HB LEU 87 1HB LEU 87 7.610 -7.790 4.816
692 HG LEU 87 HG LEU 87 6.226 -7.287 6.918
693 1HD1 LEU 87 1HD1 LEU 87 8.999 -6.136 6.661
694 2HD1 LEU 87 2HD1 LEU 87 8.593 -7.816 7.010
695 3HD1 LEU 87 3HD1 LEU 87 8.191 -6.553 8.173
696 1HD2 LEU 87 1HD2 LEU 87 7.076 -4.483 6.218
697 2HD2 LEU 87 2HD2 LEU 87 6.363 -4.994 7.747
698 3HD2 LEU 87 3HD2 LEU 87 5.421 -5.089 6.256
699 H LYS 88 H LYS 88 9.483 -7.212 3.269
700 HA LYS 88 HA LYS 88 11.553 -6.284 4.912
701 1HB LYS 88 2HB LYS 88 11.604 -8.392 3.596
702 2HB LYS 88 1HB LYS 88 11.770 -7.445 2.127
703 1HG LYS 88 2HG LYS 88 13.919 -6.649 2.801
704 2HG LYS 88 1HG LYS 88 13.739 -7.380 4.398
705 1HD LYS 88 2HD LYS 88 13.621 -9.603 3.324
706 2HD LYS 88 1HD LYS 88 13.920 -8.834 1.765
707 1HE LYS 88 2HE LYS 88 16.076 -8.068 2.503
708 2HE LYS 88 1HE LYS 88 15.770 -8.663 4.133
709 1HZ LYS 88 1HZ LYS 88 15.739 -10.908 3.296
710 2HZ LYS 88 2HZ LYS 88 17.191 -10.155 2.844
711 3HZ LYS 88 3HZ LYS 88 15.953 -10.364 1.704
712 H LYS 89 H LYS 89 10.451 -5.283 1.710
713 HA LYS 89 HA LYS 89 12.454 -3.311 1.270
714 1HB LYS 89 2HB LYS 89 10.756 -4.321 -0.412
715 2HB LYS 89 1HB LYS 89 9.646 -3.118 0.226
716 1HG LYS 89 2HG LYS 89 11.151 -1.335 -0.451
717 2HG LYS 89 1HG LYS 89 12.292 -2.527 -1.078
718 1HD LYS 89 2HD LYS 89 9.464 -2.100 -2.049
719 2HD LYS 89 1HD LYS 89 10.930 -1.574 -2.874
720 1HE LYS 89 2HE LYS 89 10.306 -4.447 -2.211
721 2HE LYS 89 1HE LYS 89 9.930 -3.692 -3.761
722 1HZ LYS 89 1HZ LYS 89 12.669 -3.859 -2.608
723 2HZ LYS 89 2HZ LYS 89 12.244 -3.328 -4.162
724 3HZ LYS 89 3HZ LYS 89 12.044 -4.956 -3.740
725 H TYR 90 H TYR 90 9.211 -3.249 2.640
726 HA TYR 90 HA TYR 90 8.921 -0.520 3.025
727 1HB TYR 90 2HB TYR 90 7.166 -2.311 3.315
728 2HB TYR 90 1HB TYR 90 7.887 -2.670 4.879
729 HD1 TYR 90 HD1 TYR 90 6.618 -1.880 6.614
730 HD2 TYR 90 HD2 TYR 90 6.936 0.463 3.081
731 HE1 TYR 90 HE1 TYR 90 5.209 -0.149 7.641
732 HE2 TYR 90 HE2 TYR 90 5.530 2.200 4.097
733 HH TYR 90 HH TYR 90 3.846 2.385 5.842
734 H ARG 91 H ARG 91 10.194 -2.958 5.287
735 HA ARG 91 HA ARG 91 10.793 -1.143 7.351
736 1HB ARG 91 2HB ARG 91 10.673 -3.481 7.839
737 2HB ARG 91 1HB ARG 91 11.946 -3.845 6.681
738 1HG ARG 91 2HG ARG 91 13.570 -2.680 8.069
739 2HG ARG 91 1HG ARG 91 12.298 -2.258 9.217
740 1HD ARG 91 2HD ARG 91 13.666 -4.202 9.919
741 2HD ARG 91 1HD ARG 91 11.946 -4.556 9.775
742 HE ARG 91 HE ARG 91 12.418 -6.040 8.101
743 1HH1 ARG 91 1HH1 ARG 91 15.234 -3.987 8.547
744 2HH1 ARG 91 2HH1 ARG 91 16.274 -5.009 7.600
745 1HH2 ARG 91 1HH2 ARG 91 13.784 -7.379 6.869
746 2HH2 ARG 91 2HH2 ARG 91 15.459 -6.941 6.658
747 H GLN 92 H GLN 92 12.856 -2.507 4.799
748 HA GLN 92 HA GLN 92 15.239 -1.210 5.508
749 1HB GLN 92 2HB GLN 92 15.112 -3.081 3.916
750 2HB GLN 92 1HB GLN 92 14.256 -2.055 2.775
751 1HG GLN 92 2HG GLN 92 16.239 -0.605 2.628
752 2HG GLN 92 1HG GLN 92 17.094 -1.699 3.717
753 1HE2 GLN 92 1HE2 GLN 92 17.720 -0.961 0.969
754 2HE2 GLN 92 2HE2 GLN 92 17.763 -2.438 0.066
755 H LEU 93 H LEU 93 12.580 -0.244 3.425
756 HA LEU 93 HA LEU 93 13.731 2.172 2.496
757 1HB LEU 93 2HB LEU 93 11.938 0.990 1.313
758 2HB LEU 93 1HB LEU 93 10.848 1.280 2.649
759 HG LEU 93 HG LEU 93 10.988 3.719 2.210
760 1HD1 LEU 93 1HD1 LEU 93 12.573 2.890 -0.221
761 2HD1 LEU 93 2HD1 LEU 93 13.211 3.750 1.179
762 3HD1 LEU 93 3HD1 LEU 93 12.004 4.519 0.148
763 1HD2 LEU 93 1HD2 LEU 93 9.160 2.453 1.259
764 2HD2 LEU 93 2HD2 LEU 93 10.154 1.998 -0.124
765 3HD2 LEU 93 3HD2 LEU 93 9.687 3.682 0.111
766 H LEU 94 H LEU 94 11.731 1.341 5.271
767 HA LEU 94 HA LEU 94 11.260 4.034 6.083
768 1HB LEU 94 2HB LEU 94 10.745 1.357 7.164
769 2HB LEU 94 1HB LEU 94 11.024 2.585 8.384
770 HG LEU 94 HG LEU 94 9.191 3.934 7.455
771 1HD1 LEU 94 1HD1 LEU 94 7.711 3.007 5.761
772 2HD1 LEU 94 2HD1 LEU 94 8.772 1.607 5.591
773 3HD1 LEU 94 3HD1 LEU 94 9.347 3.211 5.132
774 1HD2 LEU 94 1HD2 LEU 94 8.692 2.374 9.241
775 2HD2 LEU 94 2HD2 LEU 94 8.445 1.079 8.070
776 3HD2 LEU 94 3HD2 LEU 94 7.342 2.454 8.109
777 H GLU 95 H GLU 95 13.572 1.533 7.154
778 HA GLU 95 HA GLU 95 14.892 3.055 9.090
779 1HB GLU 95 2HB GLU 95 15.991 0.919 7.252
780 2HB GLU 95 1HB GLU 95 16.846 1.559 8.649
781 1HG GLU 95 2HG GLU 95 15.032 0.769 10.104
782 2HG GLU 95 1HG GLU 95 14.217 0.092 8.696
783 H HIS 96 H HIS 96 15.721 2.606 5.661
784 HA HIS 96 HA HIS 96 16.575 4.031 4.101
785 1HB HIS 96 2HB HIS 96 14.389 5.101 5.015
786 2HB HIS 96 1HB HIS 96 15.463 6.279 5.755
787 HD1 HIS 96 HD1 HIS 96 14.941 8.290 4.372
788 HD2 HIS 96 HD2 HIS 96 15.796 4.943 2.057
789 HE1 HIS 96 HE1 HIS 96 15.048 9.111 2.001
790 HE2 HIS 96 HE2 HIS 96 15.270 7.025 0.609
791 H HIS 97 H HIS 97 18.412 3.424 6.277
792 HA HIS 97 HA HIS 97 19.687 5.771 7.191
793 1HB HIS 97 2HB HIS 97 21.563 4.285 7.856
794 2HB HIS 97 1HB HIS 97 19.998 3.715 8.412
795 HD1 HIS 97 HD1 HIS 97 23.007 2.500 6.977
796 HD2 HIS 97 HD2 HIS 97 18.972 1.604 6.482
797 HE1 HIS 97 HE1 HIS 97 22.936 0.213 5.920
798 HE2 HIS 97 HE2 HIS 97 20.487 -0.282 5.571
799 H HIS 98 H HIS 98 20.791 3.466 4.697
800 HA HIS 98 HA HIS 98 21.772 5.687 3.116
801 1HB HIS 98 2HB HIS 98 23.567 3.622 4.349
802 2HB HIS 98 1HB HIS 98 23.952 4.254 2.752
803 HD1 HIS 98 HD1 HIS 98 24.757 6.678 2.595
804 HD2 HIS 98 HD2 HIS 98 23.898 5.445 6.470
805 HE1 HIS 98 HE1 HIS 98 25.686 8.470 4.098
806 HE2 HIS 98 HE2 HIS 98 24.966 7.799 6.419
807 H HIS 99 H HIS 99 22.624 4.767 0.934
808 HA HIS 99 HA HIS 99 20.862 2.513 0.222
809 1HB HIS 99 2HB HIS 99 20.398 3.614 -1.939
810 2HB HIS 99 1HB HIS 99 19.822 4.558 -0.573
811 HD1 HIS 99 HD1 HIS 99 22.467 4.568 -3.264
812 HD2 HIS 99 HD2 HIS 99 20.955 7.077 -0.309
813 HE1 HIS 99 HE1 HIS 99 23.428 6.838 -3.739
814 HE2 HIS 99 HE2 HIS 99 22.324 8.375 -2.077
815 H HIS 100 H HIS 100 21.558 1.086 -1.307
816 HA HIS 100 HA HIS 100 23.909 1.535 -2.877
817 1HB HIS 100 2HB HIS 100 25.264 -0.283 -2.008
818 2HB HIS 100 1HB HIS 100 24.925 0.846 -0.704
819 HD1 HIS 100 HD1 HIS 100 24.027 -2.616 -1.923
820 HD2 HIS 100 HD2 HIS 100 23.566 -0.224 1.457
821 HE1 HIS 100 HE1 HIS 100 23.152 -4.135 -0.125
822 HE2 HIS 100 HE2 HIS 100 23.036 -2.714 1.945
823 H HIS 101 H HIS 101 24.402 -0.624 -4.122
824 HA HIS 101 HA HIS 101 21.868 -2.083 -4.499
825 1HB HIS 101 2HB HIS 101 23.900 -1.346 -6.620
826 2HB HIS 101 1HB HIS 101 22.511 -2.393 -6.883
827 HD1 HIS 101 HD1 HIS 101 20.136 -1.235 -6.842
828 HD2 HIS 101 HD2 HIS 101 23.382 1.368 -6.679
829 HE1 HIS 101 HE1 HIS 101 19.207 1.044 -7.367
830 HE2 HIS 101 HE2 HIS 101 21.211 2.578 -7.410
Start of MODEL 17
1 1H MET 1 1H MET 1 5.289 12.766 -34.260
2 2H MET 1 2H MET 1 6.857 12.405 -34.788
3 3H MET 1 3H MET 1 6.596 13.721 -33.754
4 HA MET 1 HA MET 1 6.149 10.874 -33.075
5 1HB MET 1 2HB MET 1 8.295 12.818 -32.204
6 2HB MET 1 1HB MET 1 8.037 11.234 -31.494
7 1HG MET 1 2HG MET 1 9.848 11.050 -33.005
8 2HG MET 1 1HG MET 1 8.465 10.239 -33.735
9 1HE MET 1 1HE MET 1 10.489 11.778 -36.767
10 2HE MET 1 2HE MET 1 9.871 10.288 -36.052
11 3HE MET 1 3HE MET 1 11.166 11.179 -35.254
12 H MET 2 H MET 2 5.713 10.570 -30.783
13 HA MET 2 HA MET 2 4.697 12.946 -29.389
14 1HB MET 2 2HB MET 2 3.193 10.352 -29.769
15 2HB MET 2 1HB MET 2 2.759 11.560 -28.567
16 1HG MET 2 2HG MET 2 2.396 13.193 -30.345
17 2HG MET 2 1HG MET 2 2.811 11.971 -31.547
18 1HE MET 2 1HE MET 2 -1.068 12.407 -31.996
19 2HE MET 2 2HE MET 2 0.503 12.462 -32.797
20 3HE MET 2 3HE MET 2 0.092 13.668 -31.578
21 H PHE 3 H PHE 3 4.834 12.853 -27.150
22 HA PHE 3 HA PHE 3 6.663 10.810 -26.153
23 1HB PHE 3 2HB PHE 3 5.680 13.401 -24.941
24 2HB PHE 3 1HB PHE 3 6.770 12.283 -24.126
25 HD1 PHE 3 HD1 PHE 3 9.072 12.066 -24.810
26 HD2 PHE 3 HD2 PHE 3 6.431 14.729 -26.830
27 HE1 PHE 3 HE1 PHE 3 10.996 13.158 -25.882
28 HE2 PHE 3 HE2 PHE 3 8.356 15.822 -27.907
29 HZ PHE 3 HZ PHE 3 10.641 15.039 -27.431
30 H LEU 4 H LEU 4 5.493 8.999 -25.782
31 HA LEU 4 HA LEU 4 2.893 9.166 -24.537
32 1HB LEU 4 2HB LEU 4 3.003 6.639 -24.665
33 2HB LEU 4 1HB LEU 4 3.000 7.515 -26.180
34 HG LEU 4 HG LEU 4 5.562 7.236 -26.121
35 1HD1 LEU 4 1HD1 LEU 4 5.756 6.474 -23.813
36 2HD1 LEU 4 2HD1 LEU 4 6.366 5.266 -24.943
37 3HD1 LEU 4 3HD1 LEU 4 4.783 5.053 -24.195
38 1HD2 LEU 4 1HD2 LEU 4 5.373 5.015 -27.151
39 2HD2 LEU 4 2HD2 LEU 4 4.137 6.135 -27.722
40 3HD2 LEU 4 3HD2 LEU 4 3.723 4.891 -26.542
41 H ARG 5 H ARG 5 6.109 8.832 -23.494
42 HA ARG 5 HA ARG 5 5.207 8.038 -20.807
43 1HB ARG 5 2HB ARG 5 7.133 6.811 -21.910
44 2HB ARG 5 1HB ARG 5 8.049 8.305 -21.801
45 1HG ARG 5 2HG ARG 5 8.740 7.051 -19.966
46 2HG ARG 5 1HG ARG 5 7.594 8.216 -19.302
47 1HD ARG 5 2HD ARG 5 6.829 5.413 -20.095
48 2HD ARG 5 1HD ARG 5 7.374 5.839 -18.475
49 HE ARG 5 HE ARG 5 5.268 7.548 -19.157
50 1HH1 ARG 5 1HH1 ARG 5 5.806 4.140 -18.542
51 2HH1 ARG 5 2HH1 ARG 5 4.196 3.871 -17.938
52 1HH2 ARG 5 1HH2 ARG 5 3.170 7.210 -18.367
53 2HH2 ARG 5 2HH2 ARG 5 2.693 5.623 -17.842
54 H LYS 6 H LYS 6 6.578 10.544 -22.748
55 HA LYS 6 HA LYS 6 6.690 12.783 -22.505
56 1HB LYS 6 2HB LYS 6 4.537 12.644 -21.325
57 2HB LYS 6 1HB LYS 6 5.384 12.359 -19.814
58 1HG LYS 6 2HG LYS 6 6.365 14.556 -19.895
59 2HG LYS 6 1HG LYS 6 5.662 14.842 -21.485
60 1HD LYS 6 2HD LYS 6 3.965 14.226 -19.084
61 2HD LYS 6 1HD LYS 6 4.475 15.869 -19.467
62 1HE LYS 6 2HE LYS 6 2.353 15.672 -20.433
63 2HE LYS 6 1HE LYS 6 3.471 15.463 -21.775
64 1HZ LYS 6 1HZ LYS 6 3.184 13.033 -21.503
65 2HZ LYS 6 2HZ LYS 6 1.759 13.834 -21.937
66 3HZ LYS 6 3HZ LYS 6 1.991 13.328 -20.335
67 H VAL 7 H VAL 7 7.136 11.910 -19.112
68 HA VAL 7 HA VAL 7 8.830 12.253 -17.655
69 HB VAL 7 HB VAL 7 10.631 11.832 -20.046
70 1HG1 VAL 7 1HG1 VAL 7 11.791 12.789 -18.113
71 2HG1 VAL 7 2HG1 VAL 7 12.292 11.124 -18.403
72 3HG1 VAL 7 3HG1 VAL 7 11.166 11.490 -17.094
73 1HG2 VAL 7 1HG2 VAL 7 9.519 9.831 -18.078
74 2HG2 VAL 7 2HG2 VAL 7 10.693 9.486 -19.347
75 3HG2 VAL 7 3HG2 VAL 7 9.056 9.985 -19.773
76 H GLU 8 H GLU 8 8.139 14.434 -17.406
77 HA GLU 8 HA GLU 8 10.374 16.238 -17.967
78 1HB GLU 8 2HB GLU 8 8.832 18.119 -18.317
79 2HB GLU 8 1HB GLU 8 8.598 16.872 -19.535
80 1HG GLU 8 2HG GLU 8 6.610 16.094 -18.426
81 2HG GLU 8 1HG GLU 8 6.880 17.210 -17.087
82 H GLY 9 H GLY 9 9.640 14.562 -15.778
83 1HA GLY 9 2HA GLY 9 10.029 15.231 -13.441
84 2HA GLY 9 1HA GLY 9 8.859 16.519 -13.716
85 HA PRO 10 HA PRO 10 6.412 12.288 -13.947
86 1HB PRO 10 2HB PRO 10 8.224 10.540 -12.392
87 2HB PRO 10 1HB PRO 10 7.326 10.193 -13.873
88 1HG PRO 10 2HG PRO 10 9.970 10.536 -13.923
89 2HG PRO 10 1HG PRO 10 8.940 11.145 -15.234
90 1HD PRO 10 2HD PRO 10 10.184 12.641 -12.954
91 2HD PRO 10 1HD PRO 10 10.038 13.106 -14.663
92 H ARG 11 H ARG 11 4.887 12.893 -12.587
93 HA ARG 11 HA ARG 11 5.405 13.073 -9.715
94 1HB ARG 11 2HB ARG 11 3.089 13.956 -9.606
95 2HB ARG 11 1HB ARG 11 4.106 14.869 -10.712
96 1HG ARG 11 2HG ARG 11 3.128 13.621 -12.597
97 2HG ARG 11 1HG ARG 11 2.061 12.793 -11.462
98 1HD ARG 11 2HD ARG 11 1.026 14.886 -10.851
99 2HD ARG 11 1HD ARG 11 2.161 15.780 -11.863
100 HE ARG 11 HE ARG 11 0.954 14.001 -13.558
101 1HH1 ARG 11 1HH1 ARG 11 -0.157 16.562 -11.437
102 2HH1 ARG 11 2HH1 ARG 11 -1.555 16.928 -12.411
103 1HH2 ARG 11 1HH2 ARG 11 -0.850 14.490 -14.838
104 2HH2 ARG 11 2HH2 ARG 11 -1.964 15.731 -14.341
105 H SER 12 H SER 12 4.724 10.723 -11.835
106 HA SER 12 HA SER 12 2.938 9.228 -10.045
107 1HB SER 12 2HB SER 12 3.651 8.580 -12.916
108 2HB SER 12 1HB SER 12 2.339 7.894 -11.959
109 HG SER 12 HG SER 12 1.255 9.819 -12.047
110 H VAL 13 H VAL 13 3.568 7.259 -9.224
111 HA VAL 13 HA VAL 13 6.396 6.598 -9.413
112 HB VAL 13 HB VAL 13 5.842 4.819 -7.725
113 1HG1 VAL 13 1HG1 VAL 13 6.675 7.021 -7.046
114 2HG1 VAL 13 2HG1 VAL 13 5.559 6.346 -5.860
115 3HG1 VAL 13 3HG1 VAL 13 5.016 7.617 -6.957
116 1HG2 VAL 13 1HG2 VAL 13 3.125 6.137 -7.737
117 2HG2 VAL 13 2HG2 VAL 13 3.677 4.910 -6.595
118 3HG2 VAL 13 3HG2 VAL 13 3.489 4.504 -8.300
119 H THR 14 H THR 14 7.221 4.778 -10.357
120 HA THR 14 HA THR 14 5.372 3.271 -12.058
121 HB THR 14 HB THR 14 8.389 3.109 -12.085
122 HG1 THR 14 HG1 THR 14 7.462 5.276 -12.548
123 1HG2 THR 14 1HG2 THR 14 6.303 2.384 -14.155
124 2HG2 THR 14 2HG2 THR 14 7.198 1.243 -13.153
125 3HG2 THR 14 3HG2 THR 14 8.050 2.224 -14.346
126 H LEU 15 H LEU 15 4.561 1.505 -11.206
127 HA LEU 15 HA LEU 15 5.822 0.176 -8.981
128 1HB LEU 15 2HB LEU 15 3.331 -0.529 -10.544
129 2HB LEU 15 1HB LEU 15 3.820 -1.251 -9.023
130 HG LEU 15 HG LEU 15 3.127 1.664 -9.396
131 1HD1 LEU 15 1HD1 LEU 15 1.528 -0.572 -8.160
132 2HD1 LEU 15 2HD1 LEU 15 1.177 0.234 -9.690
133 3HD1 LEU 15 3HD1 LEU 15 1.086 1.135 -8.177
134 1HD2 LEU 15 1HD2 LEU 15 4.720 1.284 -7.598
135 2HD2 LEU 15 2HD2 LEU 15 3.677 0.036 -6.916
136 3HD2 LEU 15 3HD2 LEU 15 3.139 1.716 -6.943
137 HA PRO 16 HA PRO 16 8.038 -2.997 -11.062
138 1HB PRO 16 2HB PRO 16 7.320 -5.264 -9.702
139 2HB PRO 16 1HB PRO 16 8.467 -4.066 -9.097
140 1HG PRO 16 2HG PRO 16 5.562 -4.394 -8.461
141 2HG PRO 16 1HG PRO 16 6.912 -4.036 -7.369
142 1HD PRO 16 2HD PRO 16 5.234 -2.121 -8.214
143 2HD PRO 16 1HD PRO 16 6.964 -1.802 -7.969
144 H ASP 17 H ASP 17 4.655 -3.057 -11.059
145 HA ASP 17 HA ASP 17 4.329 -5.355 -12.776
146 1HB ASP 17 2HB ASP 17 2.397 -3.120 -12.102
147 2HB ASP 17 1HB ASP 17 1.986 -4.602 -12.954
148 H GLY 18 H GLY 18 5.253 -2.119 -13.138
149 1HA GLY 18 2HA GLY 18 6.017 -1.228 -15.210
150 2HA GLY 18 1HA GLY 18 4.897 -2.296 -16.048
151 H SER 19 H SER 19 3.075 -1.293 -13.650
152 HA SER 19 HA SER 19 1.789 0.743 -15.257
153 1HB SER 19 2HB SER 19 0.001 0.556 -13.490
154 2HB SER 19 1HB SER 19 0.343 -0.944 -14.350
155 HG SER 19 HG SER 19 0.362 -0.564 -11.763
156 H ILE 20 H ILE 20 1.463 2.852 -14.656
157 HA ILE 20 HA ILE 20 3.065 3.770 -12.372
158 HB ILE 20 HB ILE 20 2.927 6.037 -13.447
159 1HG1 ILE 20 2HG1 ILE 20 2.584 5.711 -16.070
160 2HG1 ILE 20 1HG1 ILE 20 1.500 4.437 -15.526
161 1HG2 ILE 20 1HG2 ILE 20 4.922 4.676 -13.603
162 2HG2 ILE 20 2HG2 ILE 20 4.669 5.563 -15.103
163 3HG2 ILE 20 3HG2 ILE 20 4.274 3.846 -15.016
164 1HD1 ILE 20 1HD1 ILE 20 1.329 7.348 -14.780
165 2HD1 ILE 20 2HD1 ILE 20 0.239 6.077 -14.224
166 3HD1 ILE 20 3HD1 ILE 20 0.300 6.503 -15.935
167 H MET 21 H MET 21 2.195 5.001 -10.781
168 HA MET 21 HA MET 21 -0.626 5.775 -11.018
169 1HB MET 21 2HB MET 21 0.603 4.278 -8.698
170 2HB MET 21 1HB MET 21 -0.944 5.106 -8.608
171 1HG MET 21 2HG MET 21 -1.778 3.666 -10.427
172 2HG MET 21 1HG MET 21 -0.248 2.794 -10.399
173 1HE MET 21 1HE MET 21 -3.261 2.870 -6.904
174 2HE MET 21 2HE MET 21 -3.498 3.709 -8.438
175 3HE MET 21 3HE MET 21 -2.246 4.250 -7.320
176 H THR 22 H THR 22 -1.099 7.725 -10.171
177 HA THR 22 HA THR 22 1.150 9.249 -9.068
178 HB THR 22 HB THR 22 -1.535 10.398 -9.798
179 HG1 THR 22 HG1 THR 22 -1.062 9.384 -11.678
180 1HG2 THR 22 1HG2 THR 22 1.282 11.488 -9.927
181 2HG2 THR 22 2HG2 THR 22 0.082 11.864 -8.689
182 3HG2 THR 22 3HG2 THR 22 -0.184 12.371 -10.358
183 H ARG 23 H ARG 23 0.670 10.713 -7.210
184 HA ARG 23 HA ARG 23 -0.868 9.423 -5.178
185 1HB ARG 23 2HB ARG 23 -0.366 11.708 -3.965
186 2HB ARG 23 1HB ARG 23 0.889 10.505 -4.194
187 1HG ARG 23 2HG ARG 23 1.884 12.554 -4.721
188 2HG ARG 23 1HG ARG 23 1.545 11.797 -6.275
189 1HD ARG 23 2HD ARG 23 -0.375 13.192 -6.605
190 2HD ARG 23 1HD ARG 23 -0.245 13.835 -4.969
191 HE ARG 23 HE ARG 23 2.162 14.404 -6.206
192 1HH1 ARG 23 1HH1 ARG 23 -1.220 15.169 -6.732
193 2HH1 ARG 23 2HH1 ARG 23 -0.891 16.720 -7.444
194 1HH2 ARG 23 1HH2 ARG 23 2.595 16.443 -7.134
195 2HH2 ARG 23 2HH2 ARG 23 1.275 17.452 -7.653
196 H ALA 24 H ALA 24 -2.623 9.567 -6.946
197 HA ALA 24 HA ALA 24 -4.668 11.368 -6.043
198 1HB ALA 24 1HB ALA 24 -3.500 12.821 -7.644
199 2HB ALA 24 2HB ALA 24 -5.118 12.403 -8.210
200 3HB ALA 24 3HB ALA 24 -3.709 11.599 -8.898
201 H ASP 25 H ASP 25 -3.514 8.923 -8.284
202 HA ASP 25 HA ASP 25 -6.081 7.937 -9.028
203 1HB ASP 25 2HB ASP 25 -3.404 6.516 -9.095
204 2HB ASP 25 1HB ASP 25 -4.862 6.021 -9.949
205 H LEU 26 H LEU 26 -4.343 7.807 -6.191
206 HA LEU 26 HA LEU 26 -4.968 5.215 -5.235
207 1HB LEU 26 2HB LEU 26 -4.481 7.738 -3.642
208 2HB LEU 26 1HB LEU 26 -4.370 6.096 -3.043
209 HG LEU 26 HG LEU 26 -2.550 7.274 -5.145
210 1HD1 LEU 26 1HD1 LEU 26 -0.862 7.279 -3.367
211 2HD1 LEU 26 2HD1 LEU 26 -2.096 6.792 -2.206
212 3HD1 LEU 26 3HD1 LEU 26 -2.207 8.361 -3.003
213 1HD2 LEU 26 1HD2 LEU 26 -2.814 4.847 -5.313
214 2HD2 LEU 26 2HD2 LEU 26 -2.407 4.684 -3.604
215 3HD2 LEU 26 3HD2 LEU 26 -1.201 5.281 -4.745
216 HA PRO 27 HA PRO 27 -9.280 5.706 -4.177
217 1HB PRO 27 2HB PRO 27 -8.687 3.992 -1.850
218 2HB PRO 27 1HB PRO 27 -9.813 3.724 -3.179
219 1HG PRO 27 2HG PRO 27 -7.539 2.331 -2.959
220 2HG PRO 27 1HG PRO 27 -8.210 2.790 -4.531
221 1HD PRO 27 2HD PRO 27 -5.925 3.991 -3.022
222 2HD PRO 27 1HD PRO 27 -6.111 3.734 -4.770
223 HA PRO 28 HA PRO 28 -8.496 8.903 -1.100
224 1HB PRO 28 2HB PRO 28 -11.156 9.889 -1.755
225 2HB PRO 28 1HB PRO 28 -9.589 10.638 -2.061
226 1HG PRO 28 2HG PRO 28 -11.172 9.662 -4.041
227 2HG PRO 28 1HG PRO 28 -9.403 9.693 -4.148
228 1HD PRO 28 2HD PRO 28 -11.218 7.412 -3.462
229 2HD PRO 28 1HD PRO 28 -9.773 7.429 -4.496
230 H ALA 29 H ALA 29 -8.796 6.975 0.387
231 HA ALA 29 HA ALA 29 -9.532 6.263 2.399
232 1HB ALA 29 1HB ALA 29 -9.958 8.637 2.910
233 2HB ALA 29 2HB ALA 29 -11.084 7.546 3.717
234 3HB ALA 29 3HB ALA 29 -11.599 8.451 2.292
235 H ASN 30 H ASN 30 -12.104 6.958 0.091
236 HA ASN 30 HA ASN 30 -13.025 4.239 0.360
237 1HB ASN 30 2HB ASN 30 -14.323 5.520 2.084
238 2HB ASN 30 1HB ASN 30 -14.988 6.502 0.782
239 1HD2 ASN 30 1HD2 ASN 30 -14.912 3.360 2.263
240 2HD2 ASN 30 2HD2 ASN 30 -16.332 2.733 1.479
241 H THR 31 H THR 31 -12.510 3.872 -1.699
242 HA THR 31 HA THR 31 -13.290 5.576 -3.869
243 HB THR 31 HB THR 31 -11.287 4.151 -3.996
244 HG1 THR 31 HG1 THR 31 -13.279 4.210 -5.888
245 1HG2 THR 31 1HG2 THR 31 -13.243 1.861 -4.127
246 2HG2 THR 31 2HG2 THR 31 -12.115 2.188 -2.809
247 3HG2 THR 31 3HG2 THR 31 -11.506 1.748 -4.405
248 H ARG 32 H ARG 32 -15.284 4.171 -1.950
249 HA ARG 32 HA ARG 32 -17.446 3.535 -2.018
250 1HB ARG 32 2HB ARG 32 -17.502 5.082 -4.063
251 2HB ARG 32 1HB ARG 32 -17.406 3.614 -5.027
252 1HG ARG 32 2HG ARG 32 -19.461 2.810 -3.805
253 2HG ARG 32 1HG ARG 32 -19.593 4.436 -3.133
254 1HD ARG 32 2HD ARG 32 -19.740 3.606 -6.019
255 2HD ARG 32 1HD ARG 32 -21.008 4.342 -5.040
256 HE ARG 32 HE ARG 32 -18.759 6.059 -5.169
257 1HH1 ARG 32 1HH1 ARG 32 -21.486 4.932 -7.048
258 2HH1 ARG 32 2HH1 ARG 32 -21.458 6.285 -8.134
259 1HH2 ARG 32 1HH2 ARG 32 -18.720 7.839 -6.609
260 2HH2 ARG 32 2HH2 ARG 32 -19.887 7.925 -7.897
261 H ARG 33 H ARG 33 -15.766 2.028 -4.778
262 HA ARG 33 HA ARG 33 -16.712 -0.564 -3.761
263 1HB ARG 33 2HB ARG 33 -16.419 0.358 -6.622
264 2HB ARG 33 1HB ARG 33 -16.663 -1.325 -6.162
265 1HG ARG 33 2HG ARG 33 -18.783 -0.814 -5.176
266 2HG ARG 33 1HG ARG 33 -18.528 0.914 -5.418
267 1HD ARG 33 2HD ARG 33 -18.580 0.605 -7.824
268 2HD ARG 33 1HD ARG 33 -18.771 -1.137 -7.610
269 HE ARG 33 HE ARG 33 -20.943 -0.692 -6.610
270 1HH1 ARG 33 1HH1 ARG 33 -19.451 1.981 -8.322
271 2HH1 ARG 33 2HH1 ARG 33 -20.975 2.736 -8.703
272 1HH2 ARG 33 1HH2 ARG 33 -22.930 0.341 -7.064
273 2HH2 ARG 33 2HH2 ARG 33 -22.934 1.839 -7.947
274 H TRP 34 H TRP 34 -15.081 -1.494 -2.825
275 HA TRP 34 HA TRP 34 -12.351 -0.948 -3.688
276 1HB TRP 34 2HB TRP 34 -13.506 -2.365 -1.280
277 2HB TRP 34 1HB TRP 34 -11.779 -2.244 -1.600
278 HD1 TRP 34 HD1 TRP 34 -14.769 -0.150 -0.460
279 HE1 TRP 34 HE1 TRP 34 -13.888 2.075 0.499
280 HE3 TRP 34 HE3 TRP 34 -9.865 -0.606 -1.777
281 HZ2 TRP 34 HZ2 TRP 34 -11.414 3.449 0.658
282 HZ3 TRP 34 HZ3 TRP 34 -8.312 1.197 -1.190
283 HH2 TRP 34 HH2 TRP 34 -9.066 3.183 0.004
284 H VAL 35 H VAL 35 -12.218 -2.154 -5.593
285 HA VAL 35 HA VAL 35 -12.657 -4.998 -5.541
286 HB VAL 35 HB VAL 35 -11.661 -4.995 -7.803
287 1HG1 VAL 35 1HG1 VAL 35 -14.049 -4.544 -7.500
288 2HG1 VAL 35 2HG1 VAL 35 -13.397 -3.687 -8.895
289 3HG1 VAL 35 3HG1 VAL 35 -13.707 -2.818 -7.392
290 1HG2 VAL 35 1HG2 VAL 35 -11.265 -2.050 -7.289
291 2HG2 VAL 35 2HG2 VAL 35 -11.099 -2.833 -8.860
292 3HG2 VAL 35 3HG2 VAL 35 -10.004 -3.255 -7.545
293 H ALA 36 H ALA 36 -10.940 -6.562 -5.959
294 HA ALA 36 HA ALA 36 -8.984 -6.498 -3.998
295 1HB ALA 36 1HB ALA 36 -9.801 -8.552 -5.051
296 2HB ALA 36 2HB ALA 36 -8.040 -8.470 -5.061
297 3HB ALA 36 3HB ALA 36 -8.946 -8.128 -6.534
298 H SER 37 H SER 37 -8.636 -5.813 -7.469
299 HA SER 37 HA SER 37 -5.862 -5.463 -7.505
300 1HB SER 37 2HB SER 37 -7.262 -5.698 -9.534
301 2HB SER 37 1HB SER 37 -7.945 -4.102 -9.237
302 HG SER 37 HG SER 37 -6.196 -3.193 -9.995
303 H ARG 38 H ARG 38 -8.447 -3.232 -6.643
304 HA ARG 38 HA ARG 38 -6.657 -0.970 -6.620
305 1HB ARG 38 2HB ARG 38 -9.180 -0.942 -7.195
306 2HB ARG 38 1HB ARG 38 -9.420 -0.932 -5.452
307 1HG ARG 38 2HG ARG 38 -8.271 1.126 -5.212
308 2HG ARG 38 1HG ARG 38 -7.692 1.072 -6.876
309 1HD ARG 38 2HD ARG 38 -10.143 1.137 -7.564
310 2HD ARG 38 1HD ARG 38 -10.489 1.565 -5.886
311 HE ARG 38 HE ARG 38 -8.795 3.447 -6.361
312 1HH1 ARG 38 1HH1 ARG 38 -11.077 2.150 -8.681
313 2HH1 ARG 38 2HH1 ARG 38 -11.167 3.623 -9.594
314 1HH2 ARG 38 1HH2 ARG 38 -8.920 5.397 -7.571
315 2HH2 ARG 38 2HH2 ARG 38 -9.955 5.463 -8.968
316 H LYS 39 H LYS 39 -7.942 -3.261 -4.323
317 HA LYS 39 HA LYS 39 -7.142 -1.939 -1.953
318 1HB LYS 39 2HB LYS 39 -7.309 -4.894 -2.588
319 2HB LYS 39 1HB LYS 39 -7.031 -4.244 -0.979
320 1HG LYS 39 2HG LYS 39 -9.224 -3.069 -1.154
321 2HG LYS 39 1HG LYS 39 -9.498 -3.935 -2.671
322 1HD LYS 39 2HD LYS 39 -9.341 -6.064 -1.519
323 2HD LYS 39 1HD LYS 39 -8.940 -5.246 -0.009
324 1HE LYS 39 2HE LYS 39 -11.173 -4.103 -0.158
325 2HE LYS 39 1HE LYS 39 -11.554 -5.182 -1.502
326 1HZ LYS 39 1HZ LYS 39 -12.429 -6.155 0.464
327 2HZ LYS 39 2HZ LYS 39 -10.977 -5.932 1.315
328 3HZ LYS 39 3HZ LYS 39 -11.054 -7.062 0.052
329 H ILE 40 H ILE 40 -5.535 -4.387 -3.948
330 HA ILE 40 HA ILE 40 -3.022 -4.371 -2.749
331 HB ILE 40 HB ILE 40 -3.594 -4.688 -5.705
332 1HG1 ILE 40 2HG1 ILE 40 -3.512 -6.831 -3.571
333 2HG1 ILE 40 1HG1 ILE 40 -4.996 -6.146 -4.226
334 1HG2 ILE 40 1HG2 ILE 40 -1.570 -6.050 -5.736
335 2HG2 ILE 40 2HG2 ILE 40 -1.328 -5.746 -4.016
336 3HG2 ILE 40 3HG2 ILE 40 -1.224 -4.418 -5.169
337 1HD1 ILE 40 1HD1 ILE 40 -4.359 -6.958 -6.452
338 2HD1 ILE 40 2HD1 ILE 40 -4.519 -8.259 -5.273
339 3HD1 ILE 40 3HD1 ILE 40 -2.917 -7.694 -5.753
340 H ALA 41 H ALA 41 -4.447 -2.240 -5.164
341 HA ALA 41 HA ALA 41 -2.175 -0.778 -5.875
342 1HB ALA 41 1HB ALA 41 -5.019 0.203 -5.746
343 2HB ALA 41 2HB ALA 41 -4.292 -0.669 -7.095
344 3HB ALA 41 3HB ALA 41 -3.699 0.933 -6.663
345 H VAL 42 H VAL 42 -4.309 -0.452 -3.073
346 HA VAL 42 HA VAL 42 -3.293 2.074 -2.265
347 HB VAL 42 HB VAL 42 -4.417 0.030 -0.334
348 1HG1 VAL 42 1HG1 VAL 42 -4.478 3.043 -0.372
349 2HG1 VAL 42 2HG1 VAL 42 -3.414 2.044 0.620
350 3HG1 VAL 42 3HG1 VAL 42 -5.158 2.001 0.877
351 1HG2 VAL 42 1HG2 VAL 42 -6.627 0.942 -0.774
352 2HG2 VAL 42 2HG2 VAL 42 -5.959 0.183 -2.220
353 3HG2 VAL 42 3HG2 VAL 42 -5.973 1.942 -2.073
354 H VAL 43 H VAL 43 -2.529 -1.270 -1.222
355 HA VAL 43 HA VAL 43 -0.498 -0.467 0.575
356 HB VAL 43 HB VAL 43 0.367 -2.942 0.024
357 1HG1 VAL 43 1HG1 VAL 43 -2.015 -2.141 1.681
358 2HG1 VAL 43 2HG1 VAL 43 -0.329 -2.227 2.190
359 3HG1 VAL 43 3HG1 VAL 43 -1.209 -3.704 1.798
360 1HG2 VAL 43 1HG2 VAL 43 -2.551 -2.963 -0.745
361 2HG2 VAL 43 2HG2 VAL 43 -1.562 -4.391 -0.440
362 3HG2 VAL 43 3HG2 VAL 43 -1.191 -3.332 -1.803
363 H ARG 44 H ARG 44 -0.249 -1.562 -2.827
364 HA ARG 44 HA ARG 44 2.599 -1.401 -2.843
365 1HB ARG 44 2HB ARG 44 2.453 -1.674 -5.259
366 2HB ARG 44 1HB ARG 44 1.385 -2.806 -4.447
367 1HG ARG 44 2HG ARG 44 -0.376 -0.875 -4.870
368 2HG ARG 44 1HG ARG 44 0.740 -0.495 -6.185
369 1HD ARG 44 2HD ARG 44 0.009 -3.336 -5.860
370 2HD ARG 44 1HD ARG 44 -1.281 -2.263 -6.397
371 HE ARG 44 HE ARG 44 1.242 -2.159 -7.859
372 1HH1 ARG 44 1HH1 ARG 44 -2.044 -3.316 -7.650
373 2HH1 ARG 44 2HH1 ARG 44 -2.176 -3.690 -9.337
374 1HH2 ARG 44 1HH2 ARG 44 1.076 -2.624 -10.111
375 2HH2 ARG 44 2HH2 ARG 44 -0.401 -3.285 -10.744
376 H GLY 45 H GLY 45 0.033 0.890 -3.490
377 1HA GLY 45 2HA GLY 45 1.623 2.839 -4.799
378 2HA GLY 45 1HA GLY 45 0.075 3.123 -4.017
379 H VAL 46 H VAL 46 0.636 2.465 -1.395
380 HA VAL 46 HA VAL 46 2.025 4.850 -0.633
381 HB VAL 46 HB VAL 46 1.489 4.231 1.695
382 1HG1 VAL 46 1HG1 VAL 46 -0.954 4.393 1.468
383 2HG1 VAL 46 2HG1 VAL 46 -0.803 4.035 -0.253
384 3HG1 VAL 46 3HG1 VAL 46 -0.101 5.514 0.406
385 1HG2 VAL 46 1HG2 VAL 46 0.230 1.780 0.469
386 2HG2 VAL 46 2HG2 VAL 46 0.050 2.297 2.145
387 3HG2 VAL 46 3HG2 VAL 46 1.633 1.808 1.536
388 H ILE 47 H ILE 47 2.664 1.373 -0.128
389 HA ILE 47 HA ILE 47 4.930 1.863 1.528
390 HB ILE 47 HB ILE 47 4.040 -0.679 0.162
391 1HG1 ILE 47 2HG1 ILE 47 3.657 0.290 3.006
392 2HG1 ILE 47 1HG1 ILE 47 2.412 0.263 1.763
393 1HG2 ILE 47 1HG2 ILE 47 6.400 -0.797 0.716
394 2HG2 ILE 47 2HG2 ILE 47 5.467 -1.833 1.796
395 3HG2 ILE 47 3HG2 ILE 47 6.059 -0.271 2.365
396 1HD1 ILE 47 1HD1 ILE 47 2.179 -1.607 3.290
397 2HD1 ILE 47 2HD1 ILE 47 3.814 -2.141 2.902
398 3HD1 ILE 47 3HD1 ILE 47 2.560 -2.168 1.662
399 H TYR 48 H TYR 48 4.553 0.994 -1.893
400 HA TYR 48 HA TYR 48 7.396 0.663 -2.261
401 1HB TYR 48 2HB TYR 48 5.675 -0.618 -3.548
402 2HB TYR 48 1HB TYR 48 5.214 0.880 -4.345
403 HD1 TYR 48 HD1 TYR 48 7.768 -1.740 -4.100
404 HD2 TYR 48 HD2 TYR 48 6.627 1.865 -6.057
405 HE1 TYR 48 HE1 TYR 48 9.446 -2.163 -5.849
406 HE2 TYR 48 HE2 TYR 48 8.302 1.452 -7.810
407 HH TYR 48 HH TYR 48 10.371 0.213 -8.123
408 H GLY 49 H GLY 49 5.000 3.161 -2.793
409 1HA GLY 49 2HA GLY 49 6.970 4.718 -4.306
410 2HA GLY 49 1HA GLY 49 5.235 4.963 -4.339
411 H LEU 50 H LEU 50 4.519 5.356 -1.743
412 HA LEU 50 HA LEU 50 5.678 8.055 -1.646
413 1HB LEU 50 2HB LEU 50 2.914 7.182 -0.839
414 2HB LEU 50 1HB LEU 50 3.497 8.828 -0.966
415 HG LEU 50 HG LEU 50 3.201 6.925 -3.292
416 1HD1 LEU 50 1HD1 LEU 50 1.482 9.236 -2.411
417 2HD1 LEU 50 2HD1 LEU 50 1.040 7.529 -2.368
418 3HD1 LEU 50 3HD1 LEU 50 1.299 8.335 -3.917
419 1HD2 LEU 50 1HD2 LEU 50 4.946 8.578 -3.658
420 2HD2 LEU 50 2HD2 LEU 50 3.841 9.870 -3.188
421 3HD2 LEU 50 3HD2 LEU 50 3.536 8.939 -4.655
422 H ILE 51 H ILE 51 3.756 6.084 0.667
423 HA ILE 51 HA ILE 51 5.203 7.552 2.770
424 HB ILE 51 HB ILE 51 3.059 7.794 3.977
425 1HG1 ILE 51 2HG1 ILE 51 1.908 6.652 1.421
426 2HG1 ILE 51 1HG1 ILE 51 1.826 5.937 3.025
427 1HG2 ILE 51 1HG2 ILE 51 3.078 8.997 1.214
428 2HG2 ILE 51 2HG2 ILE 51 3.911 9.631 2.632
429 3HG2 ILE 51 3HG2 ILE 51 2.148 9.593 2.589
430 1HD1 ILE 51 1HD1 ILE 51 0.408 7.780 3.762
431 2HD1 ILE 51 2HD1 ILE 51 -0.291 6.913 2.395
432 3HD1 ILE 51 3HD1 ILE 51 0.481 8.479 2.144
433 H THR 52 H THR 52 4.253 6.704 5.004
434 HA THR 52 HA THR 52 4.732 3.815 5.056
435 HB THR 52 HB THR 52 4.957 4.116 7.503
436 HG1 THR 52 HG1 THR 52 4.693 6.913 6.958
437 1HG2 THR 52 1HG2 THR 52 6.950 4.306 6.105
438 2HG2 THR 52 2HG2 THR 52 7.046 5.411 7.478
439 3HG2 THR 52 3HG2 THR 52 6.640 6.028 5.877
440 H LEU 53 H LEU 53 3.444 2.792 7.035
441 HA LEU 53 HA LEU 53 0.690 2.883 6.289
442 1HB LEU 53 2HB LEU 53 1.643 0.774 6.932
443 2HB LEU 53 1HB LEU 53 2.154 1.418 8.479
444 HG LEU 53 HG LEU 53 -0.172 1.575 9.211
445 1HD1 LEU 53 1HD1 LEU 53 -1.984 0.692 7.860
446 2HD1 LEU 53 2HD1 LEU 53 -0.863 0.371 6.540
447 3HD1 LEU 53 3HD1 LEU 53 -1.192 2.031 7.030
448 1HD2 LEU 53 1HD2 LEU 53 -0.652 -0.813 9.337
449 2HD2 LEU 53 2HD2 LEU 53 1.063 -0.496 9.604
450 3HD2 LEU 53 3HD2 LEU 53 0.512 -1.121 8.050
451 H ALA 54 H ALA 54 2.638 4.517 8.610
452 HA ALA 54 HA ALA 54 0.718 5.159 10.549
453 1HB ALA 54 1HB ALA 54 3.026 6.857 9.602
454 2HB ALA 54 2HB ALA 54 3.111 5.602 10.836
455 3HB ALA 54 3HB ALA 54 2.146 7.049 11.120
456 H GLU 55 H GLU 55 1.702 6.973 7.653
457 HA GLU 55 HA GLU 55 -0.388 8.900 7.851
458 1HB GLU 55 2HB GLU 55 1.641 9.433 6.648
459 2HB GLU 55 1HB GLU 55 1.399 8.081 5.554
460 1HG GLU 55 2HG GLU 55 0.837 10.114 4.429
461 2HG GLU 55 1HG GLU 55 -0.628 9.173 4.693
462 H ALA 56 H ALA 56 0.049 5.874 6.076
463 HA ALA 56 HA ALA 56 -2.344 5.933 4.612
464 1HB ALA 56 1HB ALA 56 -0.504 4.383 4.140
465 2HB ALA 56 2HB ALA 56 -2.047 3.547 4.319
466 3HB ALA 56 3HB ALA 56 -0.867 3.512 5.631
467 H LYS 57 H LYS 57 -1.837 5.319 8.005
468 HA LYS 57 HA LYS 57 -4.468 4.171 8.332
469 1HB LYS 57 2HB LYS 57 -2.457 5.219 10.325
470 2HB LYS 57 1HB LYS 57 -4.040 4.623 10.794
471 1HG LYS 57 2HG LYS 57 -3.469 2.431 9.812
472 2HG LYS 57 1HG LYS 57 -1.853 3.049 9.454
473 1HD LYS 57 2HD LYS 57 -1.582 3.538 11.884
474 2HD LYS 57 1HD LYS 57 -3.125 2.730 12.171
475 1HE LYS 57 2HE LYS 57 -0.664 1.481 10.949
476 2HE LYS 57 1HE LYS 57 -1.231 1.243 12.600
477 1HZ LYS 57 1HZ LYS 57 -1.859 -0.584 11.134
478 2HZ LYS 57 2HZ LYS 57 -2.733 0.480 10.154
479 3HZ LYS 57 3HZ LYS 57 -3.227 0.200 11.749
480 H GLN 58 H GLN 58 -2.933 7.317 8.848
481 HA GLN 58 HA GLN 58 -5.098 8.590 10.077
482 1HB GLN 58 2HB GLN 58 -3.006 9.885 8.320
483 2HB GLN 58 1HB GLN 58 -3.991 10.682 9.538
484 1HG GLN 58 2HG GLN 58 -1.814 8.660 9.974
485 2HG GLN 58 1HG GLN 58 -1.825 10.357 10.450
486 1HE2 GLN 58 1HE2 GLN 58 -1.487 7.891 12.015
487 2HE2 GLN 58 2HE2 GLN 58 -2.694 7.943 13.252
488 H THR 59 H THR 59 -4.253 8.256 6.671
489 HA THR 59 HA THR 59 -6.676 9.728 5.928
490 HB THR 59 HB THR 59 -4.446 8.785 4.119
491 HG1 THR 59 HG1 THR 59 -3.531 10.302 5.472
492 1HG2 THR 59 1HG2 THR 59 -5.357 10.462 2.571
493 2HG2 THR 59 2HG2 THR 59 -6.644 10.821 3.724
494 3HG2 THR 59 3HG2 THR 59 -6.553 9.230 2.967
495 H TYR 60 H TYR 60 -5.044 6.626 5.279
496 HA TYR 60 HA TYR 60 -7.422 5.744 3.806
497 1HB TYR 60 2HB TYR 60 -4.632 4.592 3.684
498 2HB TYR 60 1HB TYR 60 -5.985 4.182 2.636
499 HD1 TYR 60 HD1 TYR 60 -6.820 5.850 0.990
500 HD2 TYR 60 HD2 TYR 60 -3.302 6.532 3.275
501 HE1 TYR 60 HE1 TYR 60 -6.162 7.641 -0.560
502 HE2 TYR 60 HE2 TYR 60 -2.631 8.317 1.732
503 HH TYR 60 HH TYR 60 -3.014 9.159 -0.386
504 H GLY 61 H GLY 61 -6.871 5.671 6.772
505 1HA GLY 61 2HA GLY 61 -6.147 3.063 7.557
506 2HA GLY 61 1HA GLY 61 -6.868 4.289 8.575
507 H LEU 62 H LEU 62 -8.836 3.630 5.914
508 HA LEU 62 HA LEU 62 -11.175 3.107 6.603
509 1HB LEU 62 2HB LEU 62 -10.959 0.672 5.330
510 2HB LEU 62 1HB LEU 62 -11.247 2.225 4.577
511 HG LEU 62 HG LEU 62 -8.702 2.423 4.375
512 1HD1 LEU 62 1HD1 LEU 62 -7.489 0.282 4.241
513 2HD1 LEU 62 2HD1 LEU 62 -8.892 -0.532 4.941
514 3HD1 LEU 62 3HD1 LEU 62 -8.011 0.672 5.884
515 1HD2 LEU 62 1HD2 LEU 62 -8.680 1.118 2.324
516 2HD2 LEU 62 2HD2 LEU 62 -10.186 2.020 2.498
517 3HD2 LEU 62 3HD2 LEU 62 -10.150 0.287 2.829
518 H SER 63 H SER 63 -9.685 -0.089 6.685
519 HA SER 63 HA SER 63 -10.345 -0.257 9.533
520 1HB SER 63 2HB SER 63 -12.011 -1.622 8.530
521 2HB SER 63 1HB SER 63 -10.867 -2.302 7.376
522 HG SER 63 HG SER 63 -11.545 -3.232 9.775
523 H ASP 64 H ASP 64 -8.700 -0.918 10.775
524 HA ASP 64 HA ASP 64 -6.080 -0.951 9.860
525 1HB ASP 64 2HB ASP 64 -6.762 -0.640 12.233
526 2HB ASP 64 1HB ASP 64 -7.138 -2.357 12.325
527 H GLU 65 H GLU 65 -8.277 -3.637 10.481
528 HA GLU 65 HA GLU 65 -6.326 -5.634 9.890
529 1HB GLU 65 2HB GLU 65 -8.300 -5.921 11.432
530 2HB GLU 65 1HB GLU 65 -9.319 -5.985 10.000
531 1HG GLU 65 2HG GLU 65 -8.760 -8.202 10.872
532 2HG GLU 65 1HG GLU 65 -8.195 -7.960 9.223
533 H GLU 66 H GLU 66 -8.834 -3.966 8.094
534 HA GLU 66 HA GLU 66 -8.901 -5.522 5.781
535 1HB GLU 66 2HB GLU 66 -10.398 -3.587 6.199
536 2HB GLU 66 1HB GLU 66 -9.042 -2.504 5.951
537 1HG GLU 66 2HG GLU 66 -10.326 -2.525 3.960
538 2HG GLU 66 1HG GLU 66 -8.824 -3.393 3.646
539 H PHE 67 H PHE 67 -6.776 -2.765 6.569
540 HA PHE 67 HA PHE 67 -5.222 -2.814 4.245
541 1HB PHE 67 2HB PHE 67 -5.221 -1.035 6.052
542 2HB PHE 67 1HB PHE 67 -4.206 -2.108 7.009
543 HD1 PHE 67 HD1 PHE 67 -4.303 0.355 4.417
544 HD2 PHE 67 HD2 PHE 67 -1.946 -2.788 6.062
545 HE1 PHE 67 HE1 PHE 67 -2.312 1.261 3.287
546 HE2 PHE 67 HE2 PHE 67 0.048 -1.882 4.944
547 HZ PHE 67 HZ PHE 67 -0.131 0.144 3.555
548 H ASN 68 H ASN 68 -4.846 -4.516 7.320
549 HA ASN 68 HA ASN 68 -2.418 -5.808 6.764
550 1HB ASN 68 2HB ASN 68 -4.706 -6.734 8.517
551 2HB ASN 68 1HB ASN 68 -3.087 -7.419 8.527
552 1HD2 ASN 68 1HD2 ASN 68 -4.577 -6.164 10.677
553 2HD2 ASN 68 2HD2 ASN 68 -3.625 -4.822 11.215
554 H SER 69 H SER 69 -5.764 -6.706 6.090
555 HA SER 69 HA SER 69 -5.192 -9.364 5.320
556 1HB SER 69 2HB SER 69 -7.475 -9.487 4.579
557 2HB SER 69 1HB SER 69 -7.440 -8.531 6.057
558 HG SER 69 HG SER 69 -7.279 -6.683 4.434
559 H TRP 70 H TRP 70 -4.940 -6.350 3.615
560 HA TRP 70 HA TRP 70 -5.060 -7.396 0.982
561 1HB TRP 70 2HB TRP 70 -3.536 -4.979 1.989
562 2HB TRP 70 1HB TRP 70 -3.912 -5.329 0.306
563 HD1 TRP 70 HD1 TRP 70 -7.014 -6.287 1.396
564 HE1 TRP 70 HE1 TRP 70 -8.709 -4.374 1.674
565 HE3 TRP 70 HE3 TRP 70 -3.772 -2.351 1.557
566 HZ2 TRP 70 HZ2 TRP 70 -8.673 -1.566 1.909
567 HZ3 TRP 70 HZ3 TRP 70 -4.678 -0.081 1.804
568 HH2 TRP 70 HH2 TRP 70 -7.081 0.305 1.976
569 H VAL 71 H VAL 71 -2.316 -6.573 3.076
570 HA VAL 71 HA VAL 71 -0.335 -7.720 1.414
571 HB VAL 71 HB VAL 71 -0.259 -7.282 4.407
572 1HG1 VAL 71 1HG1 VAL 71 1.988 -7.637 2.426
573 2HG1 VAL 71 2HG1 VAL 71 1.496 -8.800 3.658
574 3HG1 VAL 71 3HG1 VAL 71 2.176 -7.245 4.135
575 1HG2 VAL 71 1HG2 VAL 71 0.858 -5.173 3.876
576 2HG2 VAL 71 2HG2 VAL 71 -0.771 -5.229 3.200
577 3HG2 VAL 71 3HG2 VAL 71 0.627 -5.485 2.157
578 H SER 72 H SER 72 -2.294 -8.971 4.054
579 HA SER 72 HA SER 72 -0.973 -11.438 4.363
580 1HB SER 72 2HB SER 72 -2.562 -10.431 6.013
581 2HB SER 72 1HB SER 72 -3.886 -10.837 4.923
582 HG SER 72 HG SER 72 -2.856 -13.078 5.106
583 H ALA 73 H ALA 73 -3.395 -10.347 2.075
584 HA ALA 73 HA ALA 73 -3.939 -13.041 1.135
585 1HB ALA 73 1HB ALA 73 -5.428 -11.971 -0.473
586 2HB ALA 73 2HB ALA 73 -4.833 -10.384 0.015
587 3HB ALA 73 3HB ALA 73 -5.737 -11.377 1.159
588 H LEU 74 H LEU 74 -1.850 -10.391 0.377
589 HA LEU 74 HA LEU 74 -1.194 -11.200 -2.273
590 1HB LEU 74 2HB LEU 74 0.207 -9.408 -0.289
591 2HB LEU 74 1HB LEU 74 0.801 -9.690 -1.918
592 HG LEU 74 HG LEU 74 -1.875 -8.467 -1.227
593 1HD1 LEU 74 1HD1 LEU 74 -0.044 -6.969 -0.678
594 2HD1 LEU 74 2HD1 LEU 74 -0.913 -6.394 -2.101
595 3HD1 LEU 74 3HD1 LEU 74 0.648 -7.198 -2.284
596 1HD2 LEU 74 1HD2 LEU 74 -1.896 -9.730 -3.322
597 2HD2 LEU 74 2HD2 LEU 74 -0.500 -8.813 -3.887
598 3HD2 LEU 74 3HD2 LEU 74 -2.037 -7.996 -3.605
599 H ALA 75 H ALA 75 -0.105 -11.992 0.924
600 HA ALA 75 HA ALA 75 1.950 -13.764 -0.102
601 1HB ALA 75 1HB ALA 75 2.334 -14.341 2.262
602 2HB ALA 75 2HB ALA 75 0.978 -13.311 2.719
603 3HB ALA 75 3HB ALA 75 2.415 -12.602 1.981
604 H GLU 76 H GLU 76 -0.819 -14.128 2.072
605 HA GLU 76 HA GLU 76 -2.357 -15.718 2.427
606 1HB GLU 76 2HB GLU 76 -2.925 -15.068 0.070
607 2HB GLU 76 1HB GLU 76 -1.997 -16.460 -0.473
608 1HG GLU 76 2HG GLU 76 -3.485 -17.963 0.646
609 2HG GLU 76 1HG GLU 76 -4.351 -16.619 1.388
610 H HIS 77 H HIS 77 -0.595 -17.586 -0.009
611 HA HIS 77 HA HIS 77 0.206 -19.443 2.120
612 1HB HIS 77 2HB HIS 77 -0.348 -21.367 0.656
613 2HB HIS 77 1HB HIS 77 -1.767 -20.431 1.105
614 HD1 HIS 77 HD1 HIS 77 0.142 -21.641 -1.815
615 HD2 HIS 77 HD2 HIS 77 -2.858 -18.866 -1.048
616 HE1 HIS 77 HE1 HIS 77 -0.865 -21.090 -4.052
617 HE2 HIS 77 HE2 HIS 77 -2.753 -19.495 -3.551
618 H GLY 78 H GLY 78 1.438 -17.362 0.202
619 1HA GLY 78 2HA GLY 78 3.256 -18.643 -1.499
620 2HA GLY 78 1HA GLY 78 3.506 -17.072 -0.748
621 H LYS 79 H LYS 79 3.329 -18.099 1.937
622 HA LYS 79 HA LYS 79 4.522 -19.013 3.612
623 1HB LYS 79 2HB LYS 79 4.391 -21.141 2.429
624 2HB LYS 79 1HB LYS 79 5.807 -20.715 1.474
625 1HG LYS 79 2HG LYS 79 7.236 -20.865 3.330
626 2HG LYS 79 1HG LYS 79 5.888 -20.869 4.468
627 1HD LYS 79 2HD LYS 79 5.188 -23.056 3.626
628 2HD LYS 79 1HD LYS 79 6.543 -23.051 2.493
629 1HE LYS 79 2HE LYS 79 6.935 -24.377 4.576
630 2HE LYS 79 1HE LYS 79 8.127 -23.112 4.285
631 1HZ LYS 79 1HZ LYS 79 5.789 -22.805 6.092
632 2HZ LYS 79 2HZ LYS 79 7.089 -21.730 5.908
633 3HZ LYS 79 3HZ LYS 79 7.342 -23.249 6.615
634 H ASP 80 H ASP 80 6.361 -18.026 0.784
635 HA ASP 80 HA ASP 80 8.645 -17.276 2.372
636 1HB ASP 80 2HB ASP 80 9.029 -17.928 0.050
637 2HB ASP 80 1HB ASP 80 7.975 -16.633 -0.512
638 H ALA 81 H ALA 81 7.100 -16.166 3.800
639 HA ALA 81 HA ALA 81 6.490 -13.439 2.954
640 1HB ALA 81 1HB ALA 81 4.765 -14.628 4.189
641 2HB ALA 81 2HB ALA 81 5.352 -13.248 5.122
642 3HB ALA 81 3HB ALA 81 5.881 -14.879 5.534
643 H LEU 82 H LEU 82 9.171 -14.841 3.668
644 HA LEU 82 HA LEU 82 10.118 -13.097 5.810
645 1HB LEU 82 2HB LEU 82 11.532 -15.336 4.359
646 2HB LEU 82 1HB LEU 82 12.123 -14.491 5.776
647 HG LEU 82 HG LEU 82 9.655 -16.230 5.695
648 1HD1 LEU 82 1HD1 LEU 82 10.970 -17.793 7.035
649 2HD1 LEU 82 2HD1 LEU 82 12.381 -16.748 6.874
650 3HD1 LEU 82 3HD1 LEU 82 11.699 -17.535 5.450
651 1HD2 LEU 82 1HD2 LEU 82 9.704 -16.001 8.133
652 2HD2 LEU 82 2HD2 LEU 82 9.467 -14.445 7.334
653 3HD2 LEU 82 3HD2 LEU 82 11.047 -14.867 7.996
654 H LYS 83 H LYS 83 10.454 -13.649 2.365
655 HA LYS 83 HA LYS 83 12.511 -11.543 2.257
656 1HB LYS 83 2HB LYS 83 13.057 -13.902 1.447
657 2HB LYS 83 1HB LYS 83 11.958 -13.593 0.114
658 1HG LYS 83 2HG LYS 83 13.330 -11.739 -0.625
659 2HG LYS 83 1HG LYS 83 14.407 -11.970 0.752
660 1HD LYS 83 2HD LYS 83 14.955 -14.220 -0.069
661 2HD LYS 83 1HD LYS 83 13.909 -13.953 -1.466
662 1HE LYS 83 2HE LYS 83 16.262 -13.569 -2.017
663 2HE LYS 83 1HE LYS 83 15.306 -12.095 -2.183
664 1HZ LYS 83 1HZ LYS 83 16.116 -11.356 -0.037
665 2HZ LYS 83 2HZ LYS 83 17.416 -11.678 -1.073
666 3HZ LYS 83 3HZ LYS 83 17.018 -12.782 0.149
667 H VAL 84 H VAL 84 9.464 -11.387 2.236
668 HA VAL 84 HA VAL 84 8.667 -10.514 -0.344
669 HB VAL 84 HB VAL 84 7.469 -9.675 2.304
670 1HG1 VAL 84 1HG1 VAL 84 6.294 -9.746 -0.477
671 2HG1 VAL 84 2HG1 VAL 84 6.722 -8.299 0.436
672 3HG1 VAL 84 3HG1 VAL 84 5.415 -9.344 0.998
673 1HG2 VAL 84 1HG2 VAL 84 6.796 -12.034 0.555
674 2HG2 VAL 84 2HG2 VAL 84 5.900 -11.525 1.987
675 3HG2 VAL 84 3HG2 VAL 84 7.561 -12.097 2.144
676 H THR 85 H THR 85 9.118 -8.706 -1.376
677 HA THR 85 HA THR 85 11.106 -6.965 -0.572
678 HB THR 85 HB THR 85 10.239 -5.484 -2.450
679 HG1 THR 85 HG1 THR 85 8.617 -6.686 -3.767
680 1HG2 THR 85 1HG2 THR 85 11.955 -7.188 -2.817
681 2HG2 THR 85 2HG2 THR 85 10.858 -7.104 -4.196
682 3HG2 THR 85 3HG2 THR 85 10.705 -8.416 -3.028
683 H ALA 86 H ALA 86 7.682 -6.046 -0.978
684 HA ALA 86 HA ALA 86 7.947 -3.493 0.123
685 1HB ALA 86 1HB ALA 86 6.078 -4.140 -1.296
686 2HB ALA 86 2HB ALA 86 5.507 -3.464 0.229
687 3HB ALA 86 3HB ALA 86 5.473 -5.209 -0.028
688 H LEU 87 H LEU 87 7.656 -6.546 1.701
689 HA LEU 87 HA LEU 87 6.598 -5.435 4.158
690 1HB LEU 87 2HB LEU 87 6.168 -7.802 3.187
691 2HB LEU 87 1HB LEU 87 7.743 -8.200 3.836
692 HG LEU 87 HG LEU 87 5.858 -8.893 5.295
693 1HD1 LEU 87 1HD1 LEU 87 6.772 -8.045 7.386
694 2HD1 LEU 87 2HD1 LEU 87 7.647 -6.791 6.507
695 3HD1 LEU 87 3HD1 LEU 87 8.058 -8.493 6.265
696 1HD2 LEU 87 1HD2 LEU 87 4.616 -7.206 6.538
697 2HD2 LEU 87 2HD2 LEU 87 4.337 -7.053 4.803
698 3HD2 LEU 87 3HD2 LEU 87 5.420 -5.928 5.625
699 H LYS 88 H LYS 88 9.600 -6.960 3.050
700 HA LYS 88 HA LYS 88 11.001 -6.574 5.476
701 1HB LYS 88 2HB LYS 88 11.603 -8.245 3.728
702 2HB LYS 88 1HB LYS 88 12.148 -6.926 2.701
703 1HG LYS 88 2HG LYS 88 13.953 -6.429 4.100
704 2HG LYS 88 1HG LYS 88 13.276 -7.353 5.442
705 1HD LYS 88 2HD LYS 88 13.574 -9.417 4.100
706 2HD LYS 88 1HD LYS 88 14.375 -8.449 2.860
707 1HE LYS 88 2HE LYS 88 16.194 -7.965 4.252
708 2HE LYS 88 1HE LYS 88 15.319 -8.433 5.708
709 1HZ LYS 88 1HZ LYS 88 16.948 -10.106 5.083
710 2HZ LYS 88 2HZ LYS 88 16.218 -10.281 3.562
711 3HZ LYS 88 3HZ LYS 88 15.372 -10.728 4.961
712 H LYS 89 H LYS 89 10.551 -4.616 2.608
713 HA LYS 89 HA LYS 89 12.467 -2.625 3.275
714 1HB LYS 89 2HB LYS 89 10.065 -2.674 1.491
715 2HB LYS 89 1HB LYS 89 10.870 -1.150 1.840
716 1HG LYS 89 2HG LYS 89 13.009 -2.271 1.072
717 2HG LYS 89 1HG LYS 89 11.979 -3.561 0.444
718 1HD LYS 89 2HD LYS 89 10.919 -2.120 -1.077
719 2HD LYS 89 1HD LYS 89 11.516 -0.676 -0.251
720 1HE LYS 89 2HE LYS 89 13.838 -1.424 -0.879
721 2HE LYS 89 1HE LYS 89 13.081 -2.645 -1.902
722 1HZ LYS 89 1HZ LYS 89 13.743 -0.497 -3.004
723 2HZ LYS 89 2HZ LYS 89 12.463 0.239 -2.169
724 3HZ LYS 89 3HZ LYS 89 12.151 -1.005 -3.274
725 H TYR 90 H TYR 90 8.996 -2.917 3.976
726 HA TYR 90 HA TYR 90 8.826 -0.422 5.273
727 1HB TYR 90 2HB TYR 90 6.873 -1.862 4.499
728 2HB TYR 90 1HB TYR 90 7.122 -2.815 5.959
729 HD1 TYR 90 HD1 TYR 90 6.647 0.705 4.863
730 HD2 TYR 90 HD2 TYR 90 6.022 -2.184 7.924
731 HE1 TYR 90 HE1 TYR 90 5.365 2.355 6.146
732 HE2 TYR 90 HE2 TYR 90 4.724 -0.535 9.216
733 HH TYR 90 HH TYR 90 4.477 1.869 9.417
734 H ARG 91 H ARG 91 9.415 -3.692 6.501
735 HA ARG 91 HA ARG 91 9.501 -2.997 9.226
736 1HB ARG 91 2HB ARG 91 9.285 -5.309 8.339
737 2HB ARG 91 1HB ARG 91 10.974 -5.246 7.854
738 1HG ARG 91 2HG ARG 91 11.649 -4.993 10.175
739 2HG ARG 91 1HG ARG 91 9.957 -5.006 10.679
740 1HD ARG 91 2HD ARG 91 9.741 -7.283 9.717
741 2HD ARG 91 1HD ARG 91 11.469 -7.257 9.355
742 HE ARG 91 HE ARG 91 10.846 -6.704 12.110
743 1HH1 ARG 91 1HH1 ARG 91 11.444 -9.264 9.775
744 2HH1 ARG 91 2HH1 ARG 91 11.962 -10.402 10.983
745 1HH2 ARG 91 1HH2 ARG 91 11.569 -8.194 13.675
746 2HH2 ARG 91 2HH2 ARG 91 12.046 -9.791 13.185
747 H GLN 92 H GLN 92 11.933 -2.861 6.695
748 HA GLN 92 HA GLN 92 14.081 -2.291 8.528
749 1HB GLN 92 2HB GLN 92 14.465 -3.374 6.318
750 2HB GLN 92 1HB GLN 92 13.997 -1.870 5.535
751 1HG GLN 92 2HG GLN 92 16.404 -2.067 5.624
752 2HG GLN 92 1HG GLN 92 15.858 -0.720 6.625
753 1HE2 GLN 92 1HE2 GLN 92 17.608 -0.695 7.978
754 2HE2 GLN 92 2HE2 GLN 92 17.955 -1.974 9.095
755 H LEU 93 H LEU 93 11.914 -0.466 6.462
756 HA LEU 93 HA LEU 93 13.218 2.016 6.611
757 1HB LEU 93 2HB LEU 93 11.641 1.588 4.889
758 2HB LEU 93 1HB LEU 93 10.371 1.220 6.030
759 HG LEU 93 HG LEU 93 10.420 3.640 6.732
760 1HD1 LEU 93 1HD1 LEU 93 12.227 3.890 4.332
761 2HD1 LEU 93 2HD1 LEU 93 12.680 4.168 6.015
762 3HD1 LEU 93 3HD1 LEU 93 11.514 5.233 5.229
763 1HD2 LEU 93 1HD2 LEU 93 8.753 2.782 5.164
764 2HD2 LEU 93 2HD2 LEU 93 9.850 3.099 3.820
765 3HD2 LEU 93 3HD2 LEU 93 9.212 4.440 4.771
766 H LEU 94 H LEU 94 11.278 0.350 8.914
767 HA LEU 94 HA LEU 94 10.677 2.747 10.445
768 1HB LEU 94 2HB LEU 94 9.919 -0.122 10.623
769 2HB LEU 94 1HB LEU 94 9.901 0.814 12.104
770 HG LEU 94 HG LEU 94 8.313 2.396 11.089
771 1HD1 LEU 94 1HD1 LEU 94 8.363 0.510 8.736
772 2HD1 LEU 94 2HD1 LEU 94 8.945 2.176 8.757
773 3HD1 LEU 94 3HD1 LEU 94 7.226 1.843 8.960
774 1HD2 LEU 94 1HD2 LEU 94 7.474 0.525 12.386
775 2HD2 LEU 94 2HD2 LEU 94 7.463 -0.492 10.945
776 3HD2 LEU 94 3HD2 LEU 94 6.378 0.894 11.055
777 H GLU 95 H GLU 95 13.482 1.467 9.996
778 HA GLU 95 HA GLU 95 14.392 0.628 12.555
779 1HB GLU 95 2HB GLU 95 16.635 0.821 11.647
780 2HB GLU 95 1HB GLU 95 15.582 0.068 10.457
781 1HG GLU 95 2HG GLU 95 15.404 2.176 9.254
782 2HG GLU 95 1HG GLU 95 16.393 2.972 10.474
783 H HIS 96 H HIS 96 13.736 3.713 11.226
784 HA HIS 96 HA HIS 96 15.808 5.087 12.686
785 1HB HIS 96 2HB HIS 96 13.793 5.888 10.649
786 2HB HIS 96 1HB HIS 96 14.473 7.140 11.688
787 HD1 HIS 96 HD1 HIS 96 16.954 7.714 11.396
788 HD2 HIS 96 HD2 HIS 96 15.593 4.758 8.807
789 HE1 HIS 96 HE1 HIS 96 18.767 7.434 9.673
790 HE2 HIS 96 HE2 HIS 96 18.020 5.483 8.261
791 H HIS 97 H HIS 97 13.800 3.750 14.321
792 HA HIS 97 HA HIS 97 12.860 6.105 15.797
793 1HB HIS 97 2HB HIS 97 12.391 3.148 16.196
794 2HB HIS 97 1HB HIS 97 12.021 4.322 17.452
795 HD1 HIS 97 HD1 HIS 97 9.708 5.185 17.418
796 HD2 HIS 97 HD2 HIS 97 10.911 3.813 13.675
797 HE1 HIS 97 HE1 HIS 97 7.679 5.372 15.938
798 HE2 HIS 97 HE2 HIS 97 8.462 4.670 13.650
799 H HIS 98 H HIS 98 14.383 3.070 16.832
800 HA HIS 98 HA HIS 98 16.317 2.606 17.925
801 1HB HIS 98 2HB HIS 98 16.994 3.522 15.633
802 2HB HIS 98 1HB HIS 98 17.441 4.997 16.479
803 HD1 HIS 98 HD1 HIS 98 18.336 1.324 16.349
804 HD2 HIS 98 HD2 HIS 98 19.945 4.951 17.597
805 HE1 HIS 98 HE1 HIS 98 20.731 0.840 16.931
806 HE2 HIS 98 HE2 HIS 98 21.724 3.073 17.530
807 H HIS 99 H HIS 99 15.286 3.331 19.967
808 HA HIS 99 HA HIS 99 16.685 5.703 21.032
809 1HB HIS 99 2HB HIS 99 13.960 4.643 21.820
810 2HB HIS 99 1HB HIS 99 14.800 5.957 22.634
811 HD1 HIS 99 HD1 HIS 99 15.405 8.049 20.880
812 HD2 HIS 99 HD2 HIS 99 12.283 5.490 19.882
813 HE1 HIS 99 HE1 HIS 99 14.011 9.297 19.205
814 HE2 HIS 99 HE2 HIS 99 12.267 7.643 18.453
815 H HIS 100 H HIS 100 15.462 2.475 21.709
816 HA HIS 100 HA HIS 100 16.050 0.857 23.171
817 1HB HIS 100 2HB HIS 100 18.272 1.143 22.146
818 2HB HIS 100 1HB HIS 100 18.668 2.368 23.344
819 HD1 HIS 100 HD1 HIS 100 20.128 1.481 25.110
820 HD2 HIS 100 HD2 HIS 100 17.549 -1.436 23.648
821 HE1 HIS 100 HE1 HIS 100 20.692 -0.618 26.372
822 HE2 HIS 100 HE2 HIS 100 19.284 -2.411 25.303
823 H HIS 101 H HIS 101 18.014 3.283 24.825
824 HA HIS 101 HA HIS 101 16.138 3.788 26.905
825 1HB HIS 101 2HB HIS 101 16.726 1.410 27.398
826 2HB HIS 101 1HB HIS 101 18.409 1.891 27.562
827 HD1 HIS 101 HD1 HIS 101 19.142 2.695 29.808
828 HD2 HIS 101 HD2 HIS 101 15.005 2.509 29.456
829 HE1 HIS 101 HE1 HIS 101 18.245 3.085 32.125
830 HE2 HIS 101 HE2 HIS 101 15.757 2.758 31.916
Start of MODEL 18
1 1H MET 1 1H MET 1 17.819 22.193 -18.356
2 2H MET 1 2H MET 1 16.781 21.534 -17.191
3 3H MET 1 3H MET 1 16.361 22.971 -17.980
4 HA MET 1 HA MET 1 15.135 21.032 -18.779
5 1HB MET 1 2HB MET 1 15.632 21.452 -21.224
6 2HB MET 1 1HB MET 1 15.244 22.867 -20.262
7 1HG MET 1 2HG MET 1 17.022 23.473 -21.682
8 2HG MET 1 1HG MET 1 17.710 23.289 -20.070
9 1HE MET 1 1HE MET 1 19.445 23.448 -22.717
10 2HE MET 1 2HE MET 1 20.623 22.168 -22.429
11 3HE MET 1 3HE MET 1 20.151 23.242 -21.112
12 H MET 2 H MET 2 18.374 20.428 -18.240
13 HA MET 2 HA MET 2 18.816 18.377 -20.180
14 1HB MET 2 2HB MET 2 20.690 19.577 -19.184
15 2HB MET 2 1HB MET 2 20.255 18.979 -17.589
16 1HG MET 2 2HG MET 2 20.664 16.666 -18.414
17 2HG MET 2 1HG MET 2 21.242 17.360 -19.926
18 1HE MET 2 1HE MET 2 23.528 18.708 -20.175
19 2HE MET 2 2HE MET 2 24.416 19.318 -18.778
20 3HE MET 2 3HE MET 2 22.776 19.886 -19.098
21 H PHE 3 H PHE 3 17.728 18.435 -16.834
22 HA PHE 3 HA PHE 3 16.847 15.662 -17.124
23 1HB PHE 3 2HB PHE 3 17.631 15.183 -14.786
24 2HB PHE 3 1HB PHE 3 18.925 15.408 -15.955
25 HD1 PHE 3 HD1 PHE 3 17.274 16.766 -12.993
26 HD2 PHE 3 HD2 PHE 3 20.361 17.360 -15.868
27 HE1 PHE 3 HE1 PHE 3 18.297 18.468 -11.542
28 HE2 PHE 3 HE2 PHE 3 21.386 19.063 -14.417
29 HZ PHE 3 HZ PHE 3 20.354 19.619 -12.255
30 H LEU 4 H LEU 4 14.976 15.165 -16.028
31 HA LEU 4 HA LEU 4 13.834 17.017 -14.136
32 1HB LEU 4 2HB LEU 4 13.264 18.103 -16.258
33 2HB LEU 4 1HB LEU 4 12.524 16.620 -16.829
34 HG LEU 4 HG LEU 4 10.849 16.798 -14.998
35 1HD1 LEU 4 1HD1 LEU 4 12.126 19.491 -14.544
36 2HD1 LEU 4 2HD1 LEU 4 12.137 18.129 -13.423
37 3HD1 LEU 4 3HD1 LEU 4 10.617 18.931 -13.821
38 1HD2 LEU 4 1HD2 LEU 4 9.579 18.623 -16.020
39 2HD2 LEU 4 2HD2 LEU 4 10.334 17.589 -17.234
40 3HD2 LEU 4 3HD2 LEU 4 11.036 19.162 -16.856
41 H ARG 5 H ARG 5 12.800 14.453 -16.407
42 HA ARG 5 HA ARG 5 10.906 13.477 -14.461
43 1HB ARG 5 2HB ARG 5 11.614 12.284 -17.145
44 2HB ARG 5 1HB ARG 5 10.186 11.933 -16.177
45 1HG ARG 5 2HG ARG 5 9.483 14.297 -16.454
46 2HG ARG 5 1HG ARG 5 10.856 14.537 -17.537
47 1HD ARG 5 2HD ARG 5 9.938 12.649 -18.932
48 2HD ARG 5 1HD ARG 5 8.485 12.720 -17.934
49 HE ARG 5 HE ARG 5 9.430 15.102 -19.390
50 1HH1 ARG 5 1HH1 ARG 5 6.940 12.715 -18.766
51 2HH1 ARG 5 2HH1 ARG 5 5.733 13.541 -19.703
52 1HH2 ARG 5 1HH2 ARG 5 7.856 16.178 -20.619
53 2HH2 ARG 5 2HH2 ARG 5 6.263 15.506 -20.768
54 H LYS 6 H LYS 6 12.506 12.961 -12.852
55 HA LYS 6 HA LYS 6 12.931 10.260 -12.464
56 1HB LYS 6 2HB LYS 6 14.596 10.440 -14.318
57 2HB LYS 6 1HB LYS 6 15.483 11.628 -13.372
58 1HG LYS 6 2HG LYS 6 15.773 9.897 -11.602
59 2HG LYS 6 1HG LYS 6 15.039 8.727 -12.699
60 1HD LYS 6 2HD LYS 6 16.819 9.143 -14.331
61 2HD LYS 6 1HD LYS 6 17.552 10.314 -13.231
62 1HE LYS 6 2HE LYS 6 17.172 7.363 -12.714
63 2HE LYS 6 1HE LYS 6 18.695 8.167 -13.087
64 1HZ LYS 6 1HZ LYS 6 18.426 7.737 -10.711
65 2HZ LYS 6 2HZ LYS 6 17.030 8.695 -10.679
66 3HZ LYS 6 3HZ LYS 6 18.533 9.397 -11.030
67 H VAL 7 H VAL 7 13.912 13.540 -11.940
68 HA VAL 7 HA VAL 7 14.494 12.974 -9.117
69 HB VAL 7 HB VAL 7 16.360 14.712 -9.327
70 1HG1 VAL 7 1HG1 VAL 7 17.999 13.039 -10.062
71 2HG1 VAL 7 2HG1 VAL 7 16.684 12.033 -10.666
72 3HG1 VAL 7 3HG1 VAL 7 16.819 12.366 -8.939
73 1HG2 VAL 7 1HG2 VAL 7 17.392 14.828 -11.590
74 2HG2 VAL 7 2HG2 VAL 7 15.808 15.599 -11.487
75 3HG2 VAL 7 3HG2 VAL 7 15.964 14.009 -12.230
76 H GLU 8 H GLU 8 15.122 15.389 -8.215
77 HA GLU 8 HA GLU 8 14.402 17.431 -7.589
78 1HB GLU 8 2HB GLU 8 13.039 17.435 -10.287
79 2HB GLU 8 1HB GLU 8 13.132 18.827 -9.220
80 1HG GLU 8 2HG GLU 8 15.485 17.396 -10.438
81 2HG GLU 8 1HG GLU 8 14.788 18.913 -11.010
82 H GLY 9 H GLY 9 11.630 16.365 -9.466
83 1HA GLY 9 2HA GLY 9 10.117 15.589 -7.166
84 2HA GLY 9 1HA GLY 9 9.580 17.122 -7.845
85 HA PRO 10 HA PRO 10 9.050 13.806 -11.338
86 1HB PRO 10 2HB PRO 10 8.984 11.208 -10.504
87 2HB PRO 10 1HB PRO 10 10.465 12.011 -11.060
88 1HG PRO 10 2HG PRO 10 9.496 11.554 -8.259
89 2HG PRO 10 1HG PRO 10 11.123 11.329 -8.933
90 1HD PRO 10 2HD PRO 10 10.472 13.518 -7.514
91 2HD PRO 10 1HD PRO 10 11.591 13.601 -8.891
92 H ARG 11 H ARG 11 7.005 13.416 -11.988
93 HA ARG 11 HA ARG 11 4.957 14.174 -10.225
94 1HB ARG 11 2HB ARG 11 4.989 14.551 -12.705
95 2HB ARG 11 1HB ARG 11 4.613 12.843 -12.914
96 1HG ARG 11 2HG ARG 11 2.540 13.168 -11.635
97 2HG ARG 11 1HG ARG 11 2.911 14.887 -11.502
98 1HD ARG 11 2HD ARG 11 2.924 15.005 -13.990
99 2HD ARG 11 1HD ARG 11 2.366 13.331 -14.024
100 HE ARG 11 HE ARG 11 0.795 15.264 -12.508
101 1HH1 ARG 11 1HH1 ARG 11 1.116 13.234 -15.343
102 2HH1 ARG 11 2HH1 ARG 11 -0.537 13.435 -15.825
103 1HH2 ARG 11 1HH2 ARG 11 -1.394 15.494 -13.110
104 2HH2 ARG 11 2HH2 ARG 11 -1.971 14.703 -14.550
105 H SER 12 H SER 12 5.622 11.029 -11.731
106 HA SER 12 HA SER 12 3.633 9.834 -9.921
107 1HB SER 12 2HB SER 12 4.529 8.791 -12.612
108 2HB SER 12 1HB SER 12 3.171 8.216 -11.645
109 HG SER 12 HG SER 12 2.024 9.993 -12.146
110 H VAL 13 H VAL 13 4.078 7.734 -9.073
111 HA VAL 13 HA VAL 13 6.929 7.088 -8.908
112 HB VAL 13 HB VAL 13 6.197 5.397 -7.184
113 1HG1 VAL 13 1HG1 VAL 13 7.089 7.561 -6.520
114 2HG1 VAL 13 2HG1 VAL 13 5.818 7.039 -5.415
115 3HG1 VAL 13 3HG1 VAL 13 5.478 8.273 -6.632
116 1HG2 VAL 13 1HG2 VAL 13 3.886 5.118 -7.864
117 2HG2 VAL 13 2HG2 VAL 13 3.547 6.808 -7.481
118 3HG2 VAL 13 3HG2 VAL 13 3.964 5.676 -6.192
119 H THR 14 H THR 14 7.809 5.379 -9.899
120 HA THR 14 HA THR 14 6.069 3.651 -11.474
121 HB THR 14 HB THR 14 9.094 3.700 -11.400
122 HG1 THR 14 HG1 THR 14 7.485 5.524 -12.366
123 1HG2 THR 14 1HG2 THR 14 7.199 2.531 -13.441
124 2HG2 THR 14 2HG2 THR 14 8.055 1.597 -12.217
125 3HG2 THR 14 3HG2 THR 14 8.962 2.447 -13.470
126 H LEU 15 H LEU 15 5.174 2.162 -10.195
127 HA LEU 15 HA LEU 15 6.614 0.966 -8.010
128 1HB LEU 15 2HB LEU 15 3.893 0.333 -9.162
129 2HB LEU 15 1HB LEU 15 4.528 -0.297 -7.651
130 HG LEU 15 HG LEU 15 3.947 2.609 -8.242
131 1HD1 LEU 15 1HD1 LEU 15 2.155 2.376 -6.628
132 2HD1 LEU 15 2HD1 LEU 15 2.534 0.666 -6.429
133 3HD1 LEU 15 3HD1 LEU 15 1.932 1.262 -7.975
134 1HD2 LEU 15 1HD2 LEU 15 4.409 2.957 -5.857
135 2HD2 LEU 15 2HD2 LEU 15 5.830 2.398 -6.736
136 3HD2 LEU 15 3HD2 LEU 15 4.927 1.276 -5.719
137 HA PRO 16 HA PRO 16 8.434 -2.525 -9.872
138 1HB PRO 16 2HB PRO 16 7.176 -4.319 -7.882
139 2HB PRO 16 1HB PRO 16 8.887 -4.015 -8.203
140 1HG PRO 16 2HG PRO 16 7.715 -3.040 -6.018
141 2HG PRO 16 1HG PRO 16 8.928 -2.097 -6.905
142 1HD PRO 16 2HD PRO 16 5.943 -1.842 -6.923
143 2HD PRO 16 1HD PRO 16 7.183 -0.569 -6.897
144 H ASP 17 H ASP 17 5.086 -2.330 -9.790
145 HA ASP 17 HA ASP 17 4.619 -4.838 -11.183
146 1HB ASP 17 2HB ASP 17 2.810 -2.604 -10.274
147 2HB ASP 17 1HB ASP 17 2.238 -3.897 -11.322
148 H GLY 18 H GLY 18 5.811 -1.902 -12.014
149 1HA GLY 18 2HA GLY 18 6.349 -1.117 -14.131
150 2HA GLY 18 1HA GLY 18 5.330 -2.370 -14.825
151 H SER 19 H SER 19 4.156 -0.223 -12.364
152 HA SER 19 HA SER 19 2.467 1.094 -14.384
153 1HB SER 19 2HB SER 19 1.717 0.512 -11.510
154 2HB SER 19 1HB SER 19 0.663 1.141 -12.777
155 HG SER 19 HG SER 19 1.170 -0.920 -13.899
156 H ILE 20 H ILE 20 2.458 3.279 -14.392
157 HA ILE 20 HA ILE 20 3.935 4.653 -12.274
158 HB ILE 20 HB ILE 20 3.628 6.697 -13.733
159 1HG1 ILE 20 2HG1 ILE 20 2.774 4.626 -15.772
160 2HG1 ILE 20 1HG1 ILE 20 1.727 5.853 -15.066
161 1HG2 ILE 20 1HG2 ILE 20 5.719 5.520 -13.638
162 2HG2 ILE 20 2HG2 ILE 20 5.402 6.017 -15.301
163 3HG2 ILE 20 3HG2 ILE 20 5.150 4.339 -14.819
164 1HD1 ILE 20 1HD1 ILE 20 4.151 6.397 -16.767
165 2HD1 ILE 20 2HD1 ILE 20 3.050 7.605 -16.103
166 3HD1 ILE 20 3HD1 ILE 20 2.475 6.456 -17.311
167 H MET 21 H MET 21 2.717 4.989 -10.554
168 HA MET 21 HA MET 21 -0.053 5.864 -10.960
169 1HB MET 21 2HB MET 21 1.292 4.584 -8.576
170 2HB MET 21 1HB MET 21 -0.333 5.259 -8.523
171 1HG MET 21 2HG MET 21 -1.018 3.704 -10.294
172 2HG MET 21 1HG MET 21 0.600 3.008 -10.289
173 1HE MET 21 1HE MET 21 -2.697 3.563 -8.210
174 2HE MET 21 2HE MET 21 -1.452 4.264 -7.174
175 3HE MET 21 3HE MET 21 -2.278 2.784 -6.684
176 H THR 22 H THR 22 -0.685 7.813 -10.420
177 HA THR 22 HA THR 22 1.238 9.587 -9.088
178 HB THR 22 HB THR 22 -1.221 10.505 -10.569
179 HG1 THR 22 HG1 THR 22 -0.380 9.584 -12.296
180 1HG2 THR 22 1HG2 THR 22 0.295 12.426 -11.108
181 2HG2 THR 22 2HG2 THR 22 1.500 11.701 -10.042
182 3HG2 THR 22 3HG2 THR 22 -0.050 12.234 -9.390
183 H ARG 23 H ARG 23 -0.027 11.393 -7.811
184 HA ARG 23 HA ARG 23 -1.332 10.246 -5.641
185 1HB ARG 23 2HB ARG 23 -0.181 12.465 -5.707
186 2HB ARG 23 1HB ARG 23 -1.565 13.113 -6.573
187 1HG ARG 23 2HG ARG 23 -2.993 12.758 -4.690
188 2HG ARG 23 1HG ARG 23 -1.721 11.884 -3.833
189 1HD ARG 23 2HD ARG 23 -1.699 14.804 -4.598
190 2HD ARG 23 1HD ARG 23 -1.895 14.140 -2.973
191 HE ARG 23 HE ARG 23 0.578 14.080 -4.577
192 1HH1 ARG 23 1HH1 ARG 23 -1.072 13.774 -1.500
193 2HH1 ARG 23 2HH1 ARG 23 0.402 13.615 -0.590
194 1HH2 ARG 23 1HH2 ARG 23 2.501 13.899 -3.390
195 2HH2 ARG 23 2HH2 ARG 23 2.436 13.701 -1.659
196 H ALA 24 H ALA 24 -2.592 11.000 -8.723
197 HA ALA 24 HA ALA 24 -5.343 11.198 -7.784
198 1HB ALA 24 1HB ALA 24 -4.243 11.338 -10.587
199 2HB ALA 24 2HB ALA 24 -4.591 12.717 -9.544
200 3HB ALA 24 3HB ALA 24 -5.905 11.680 -10.103
201 H ASP 25 H ASP 25 -3.256 8.728 -8.426
202 HA ASP 25 HA ASP 25 -5.274 6.989 -9.655
203 1HB ASP 25 2HB ASP 25 -2.322 6.550 -9.145
204 2HB ASP 25 1HB ASP 25 -3.396 5.353 -9.862
205 H LEU 26 H LEU 26 -4.468 7.964 -6.682
206 HA LEU 26 HA LEU 26 -4.694 5.344 -5.397
207 1HB LEU 26 2HB LEU 26 -4.155 8.057 -4.171
208 2HB LEU 26 1HB LEU 26 -4.091 6.515 -3.341
209 HG LEU 26 HG LEU 26 -2.246 7.297 -5.600
210 1HD1 LEU 26 1HD1 LEU 26 -0.557 7.608 -3.868
211 2HD1 LEU 26 2HD1 LEU 26 -1.768 7.295 -2.625
212 3HD1 LEU 26 3HD1 LEU 26 -1.906 8.722 -3.653
213 1HD2 LEU 26 1HD2 LEU 26 -2.166 5.003 -3.642
214 2HD2 LEU 26 2HD2 LEU 26 -0.941 5.367 -4.856
215 3HD2 LEU 26 3HD2 LEU 26 -2.563 4.887 -5.356
216 HA PRO 27 HA PRO 27 -9.057 6.146 -4.515
217 1HB PRO 27 2HB PRO 27 -8.611 4.135 -2.392
218 2HB PRO 27 1HB PRO 27 -9.783 4.130 -3.710
219 1HG PRO 27 2HG PRO 27 -7.662 2.494 -3.709
220 2HG PRO 27 1HG PRO 27 -8.305 3.191 -5.203
221 1HD PRO 27 2HD PRO 27 -5.880 3.977 -3.638
222 2HD PRO 27 1HD PRO 27 -6.123 3.937 -5.397
223 HA PRO 28 HA PRO 28 -7.702 9.127 -1.375
224 1HB PRO 28 2HB PRO 28 -10.566 9.898 -1.561
225 2HB PRO 28 1HB PRO 28 -9.122 10.904 -1.688
226 1HG PRO 28 2HG PRO 28 -10.528 10.286 -3.857
227 2HG PRO 28 1HG PRO 28 -8.755 10.328 -3.911
228 1HD PRO 28 2HD PRO 28 -10.599 7.977 -3.771
229 2HD PRO 28 1HD PRO 28 -9.092 8.173 -4.691
230 H ALA 29 H ALA 29 -10.707 7.329 -1.197
231 HA ALA 29 HA ALA 29 -10.258 6.292 1.376
232 1HB ALA 29 1HB ALA 29 -11.990 7.458 2.647
233 2HB ALA 29 2HB ALA 29 -12.306 8.515 1.270
234 3HB ALA 29 3HB ALA 29 -10.753 8.592 2.102
235 H ASN 30 H ASN 30 -12.529 7.259 -1.104
236 HA ASN 30 HA ASN 30 -13.823 4.644 -0.895
237 1HB ASN 30 2HB ASN 30 -15.213 7.322 -1.078
238 2HB ASN 30 1HB ASN 30 -16.016 5.792 -1.419
239 1HD2 ASN 30 1HD2 ASN 30 -16.553 4.435 0.259
240 2HD2 ASN 30 2HD2 ASN 30 -16.455 4.913 1.922
241 H THR 31 H THR 31 -12.561 4.051 -2.735
242 HA THR 31 HA THR 31 -12.931 5.330 -5.258
243 HB THR 31 HB THR 31 -11.061 3.732 -4.830
244 HG1 THR 31 HG1 THR 31 -11.122 3.681 -6.940
245 1HG2 THR 31 1HG2 THR 31 -13.244 1.656 -4.976
246 2HG2 THR 31 2HG2 THR 31 -12.250 2.032 -3.566
247 3HG2 THR 31 3HG2 THR 31 -11.511 1.321 -5.002
248 H ARG 32 H ARG 32 -14.180 4.247 -7.074
249 HA ARG 32 HA ARG 32 -16.877 4.067 -6.259
250 1HB ARG 32 2HB ARG 32 -15.486 3.652 -8.879
251 2HB ARG 32 1HB ARG 32 -17.188 3.248 -8.709
252 1HG ARG 32 2HG ARG 32 -17.199 5.413 -9.548
253 2HG ARG 32 1HG ARG 32 -17.481 5.625 -7.821
254 1HD ARG 32 2HD ARG 32 -15.900 7.264 -8.408
255 2HD ARG 32 1HD ARG 32 -14.983 5.989 -7.604
256 HE ARG 32 HE ARG 32 -14.801 5.303 -10.218
257 1HH1 ARG 32 1HH1 ARG 32 -14.136 8.245 -8.435
258 2HH1 ARG 32 2HH1 ARG 32 -12.966 8.840 -9.578
259 1HH2 ARG 32 1HH2 ARG 32 -13.265 6.065 -11.722
260 2HH2 ARG 32 2HH2 ARG 32 -12.458 7.574 -11.447
261 H ARG 33 H ARG 33 -14.501 1.610 -7.158
262 HA ARG 33 HA ARG 33 -16.192 -0.400 -5.894
263 1HB ARG 33 2HB ARG 33 -15.067 -0.750 -8.687
264 2HB ARG 33 1HB ARG 33 -15.886 -1.996 -7.759
265 1HG ARG 33 2HG ARG 33 -17.937 -0.640 -7.772
266 2HG ARG 33 1HG ARG 33 -17.106 0.580 -8.734
267 1HD ARG 33 2HD ARG 33 -18.425 -0.751 -10.208
268 2HD ARG 33 1HD ARG 33 -16.733 -1.158 -10.481
269 HE ARG 33 HE ARG 33 -17.097 -3.205 -9.240
270 1HH1 ARG 33 1HH1 ARG 33 -19.977 -1.467 -10.226
271 2HH1 ARG 33 2HH1 ARG 33 -21.001 -2.868 -10.146
272 1HH2 ARG 33 1HH2 ARG 33 -18.429 -5.034 -9.136
273 2HH2 ARG 33 2HH2 ARG 33 -20.119 -4.907 -9.526
274 H TRP 34 H TRP 34 -14.900 -1.111 -4.328
275 HA TRP 34 HA TRP 34 -12.034 -1.156 -4.570
276 1HB TRP 34 2HB TRP 34 -13.935 -2.222 -2.477
277 2HB TRP 34 1HB TRP 34 -12.192 -2.442 -2.370
278 HD1 TRP 34 HD1 TRP 34 -14.918 0.143 -1.868
279 HE1 TRP 34 HE1 TRP 34 -13.890 2.240 -0.782
280 HE3 TRP 34 HE3 TRP 34 -9.972 -1.074 -2.274
281 HZ2 TRP 34 HZ2 TRP 34 -11.312 3.247 -0.189
282 HZ3 TRP 34 HZ3 TRP 34 -8.295 0.501 -1.426
283 HH2 TRP 34 HH2 TRP 34 -8.951 2.619 -0.407
284 H VAL 35 H VAL 35 -11.688 -2.498 -6.399
285 HA VAL 35 HA VAL 35 -12.364 -5.324 -6.119
286 HB VAL 35 HB VAL 35 -11.415 -5.608 -8.366
287 1HG1 VAL 35 1HG1 VAL 35 -13.087 -4.309 -9.603
288 2HG1 VAL 35 2HG1 VAL 35 -13.383 -3.333 -8.163
289 3HG1 VAL 35 3HG1 VAL 35 -13.766 -5.055 -8.158
290 1HG2 VAL 35 1HG2 VAL 35 -9.677 -3.910 -8.287
291 2HG2 VAL 35 2HG2 VAL 35 -10.898 -2.638 -8.254
292 3HG2 VAL 35 3HG2 VAL 35 -10.725 -3.657 -9.682
293 H ALA 36 H ALA 36 -10.518 -6.863 -6.808
294 HA ALA 36 HA ALA 36 -8.579 -6.897 -4.826
295 1HB ALA 36 1HB ALA 36 -7.504 -8.680 -6.098
296 2HB ALA 36 2HB ALA 36 -8.453 -8.249 -7.523
297 3HB ALA 36 3HB ALA 36 -9.255 -8.880 -6.084
298 H SER 37 H SER 37 -8.285 -5.797 -8.182
299 HA SER 37 HA SER 37 -5.540 -5.225 -8.127
300 1HB SER 37 2HB SER 37 -7.698 -3.908 -9.790
301 2HB SER 37 1HB SER 37 -5.969 -3.918 -10.146
302 HG SER 37 HG SER 37 -6.116 -6.228 -10.284
303 H ARG 38 H ARG 38 -8.358 -3.292 -7.207
304 HA ARG 38 HA ARG 38 -6.947 -0.870 -6.810
305 1HB ARG 38 2HB ARG 38 -9.569 -1.911 -5.770
306 2HB ARG 38 1HB ARG 38 -8.915 -0.383 -5.203
307 1HG ARG 38 2HG ARG 38 -9.398 -0.987 -8.107
308 2HG ARG 38 1HG ARG 38 -10.602 -0.239 -7.055
309 1HD ARG 38 2HD ARG 38 -9.451 1.481 -8.292
310 2HD ARG 38 1HD ARG 38 -9.004 1.596 -6.593
311 HE ARG 38 HE ARG 38 -6.931 0.314 -7.318
312 1HH1 ARG 38 1HH1 ARG 38 -8.662 2.460 -9.473
313 2HH1 ARG 38 2HH1 ARG 38 -7.248 2.863 -10.405
314 1HH2 ARG 38 1HH2 ARG 38 -5.080 0.825 -8.560
315 2HH2 ARG 38 2HH2 ARG 38 -5.218 1.924 -9.899
316 H LYS 39 H LYS 39 -7.841 -3.517 -4.621
317 HA LYS 39 HA LYS 39 -6.976 -2.388 -2.228
318 1HB LYS 39 2HB LYS 39 -6.912 -5.313 -3.008
319 2HB LYS 39 1HB LYS 39 -6.870 -4.685 -1.367
320 1HG LYS 39 2HG LYS 39 -9.105 -3.813 -1.590
321 2HG LYS 39 1HG LYS 39 -9.156 -4.285 -3.289
322 1HD LYS 39 2HD LYS 39 -10.323 -5.996 -2.227
323 2HD LYS 39 1HD LYS 39 -8.703 -6.668 -2.406
324 1HE LYS 39 2HE LYS 39 -9.435 -7.169 -0.199
325 2HE LYS 39 1HE LYS 39 -8.223 -5.894 -0.072
326 1HZ LYS 39 1HZ LYS 39 -11.176 -5.546 0.066
327 2HZ LYS 39 2HZ LYS 39 -10.054 -4.279 0.088
328 3HZ LYS 39 3HZ LYS 39 -10.085 -5.398 1.358
329 H ILE 40 H ILE 40 -5.172 -4.670 -4.305
330 HA ILE 40 HA ILE 40 -2.764 -4.583 -2.895
331 HB ILE 40 HB ILE 40 -3.154 -5.056 -5.855
332 1HG1 ILE 40 2HG1 ILE 40 -3.035 -7.033 -3.565
333 2HG1 ILE 40 1HG1 ILE 40 -4.505 -6.549 -4.404
334 1HG2 ILE 40 1HG2 ILE 40 -1.041 -6.278 -5.737
335 2HG2 ILE 40 2HG2 ILE 40 -0.873 -5.839 -4.037
336 3HG2 ILE 40 3HG2 ILE 40 -0.826 -4.589 -5.281
337 1HD1 ILE 40 1HD1 ILE 40 -2.160 -7.973 -5.645
338 2HD1 ILE 40 2HD1 ILE 40 -3.650 -7.510 -6.469
339 3HD1 ILE 40 3HD1 ILE 40 -3.694 -8.710 -5.177
340 H ALA 41 H ALA 41 -3.974 -2.534 -5.501
341 HA ALA 41 HA ALA 41 -1.586 -1.150 -6.034
342 1HB ALA 41 1HB ALA 41 -2.982 0.516 -7.127
343 2HB ALA 41 2HB ALA 41 -4.419 -0.181 -6.378
344 3HB ALA 41 3HB ALA 41 -3.495 -1.116 -7.555
345 H VAL 42 H VAL 42 -4.049 -0.698 -3.571
346 HA VAL 42 HA VAL 42 -3.144 1.903 -2.800
347 HB VAL 42 HB VAL 42 -4.731 -0.038 -1.117
348 1HG1 VAL 42 1HG1 VAL 42 -4.510 2.969 -0.997
349 2HG1 VAL 42 2HG1 VAL 42 -3.744 1.840 0.123
350 3HG1 VAL 42 3HG1 VAL 42 -5.503 1.953 0.050
351 1HG2 VAL 42 1HG2 VAL 42 -5.890 0.299 -3.204
352 2HG2 VAL 42 2HG2 VAL 42 -5.678 2.045 -3.076
353 3HG2 VAL 42 3HG2 VAL 42 -6.713 1.198 -1.928
354 H VAL 43 H VAL 43 -2.526 -1.399 -1.633
355 HA VAL 43 HA VAL 43 -1.074 -0.806 0.670
356 HB VAL 43 HB VAL 43 0.082 -2.987 -0.957
357 1HG1 VAL 43 1HG1 VAL 43 0.707 -2.688 1.352
358 2HG1 VAL 43 2HG1 VAL 43 -0.145 -4.219 1.148
359 3HG1 VAL 43 3HG1 VAL 43 -0.978 -2.834 1.856
360 1HG2 VAL 43 1HG2 VAL 43 -2.247 -3.136 -1.659
361 2HG2 VAL 43 2HG2 VAL 43 -2.759 -3.169 0.026
362 3HG2 VAL 43 3HG2 VAL 43 -1.803 -4.496 -0.628
363 H ARG 44 H ARG 44 0.355 -1.658 -2.493
364 HA ARG 44 HA ARG 44 2.859 -0.559 -1.603
365 1HB ARG 44 2HB ARG 44 3.517 -1.147 -4.071
366 2HB ARG 44 1HB ARG 44 3.332 -2.398 -2.857
367 1HG ARG 44 2HG ARG 44 2.262 -3.278 -4.704
368 2HG ARG 44 1HG ARG 44 0.936 -2.626 -3.745
369 1HD ARG 44 2HD ARG 44 0.645 -0.799 -5.186
370 2HD ARG 44 1HD ARG 44 2.225 -1.030 -5.937
371 HE ARG 44 HE ARG 44 0.769 -3.336 -6.434
372 1HH1 ARG 44 1HH1 ARG 44 0.457 0.061 -7.194
373 2HH1 ARG 44 2HH1 ARG 44 -0.295 -0.220 -8.729
374 1HH2 ARG 44 1HH2 ARG 44 -0.242 -3.718 -8.453
375 2HH2 ARG 44 2HH2 ARG 44 -0.680 -2.358 -9.457
376 H GLY 45 H GLY 45 0.147 0.793 -2.921
377 1HA GLY 45 2HA GLY 45 1.379 2.803 -4.555
378 2HA GLY 45 1HA GLY 45 -0.268 2.827 -3.934
379 H VAL 46 H VAL 46 0.128 2.739 -1.218
380 HA VAL 46 HA VAL 46 1.200 5.387 -0.731
381 HB VAL 46 HB VAL 46 0.394 5.092 1.590
382 1HG1 VAL 46 1HG1 VAL 46 -2.010 5.056 1.051
383 2HG1 VAL 46 2HG1 VAL 46 -1.615 4.473 -0.567
384 3HG1 VAL 46 3HG1 VAL 46 -1.076 6.071 -0.049
385 1HG2 VAL 46 1HG2 VAL 46 -0.993 3.161 2.170
386 2HG2 VAL 46 2HG2 VAL 46 0.666 2.678 1.812
387 3HG2 VAL 46 3HG2 VAL 46 -0.607 2.416 0.619
388 H ILE 47 H ILE 47 1.914 2.062 0.172
389 HA ILE 47 HA ILE 47 3.899 2.614 2.086
390 HB ILE 47 HB ILE 47 3.098 0.184 0.531
391 1HG1 ILE 47 2HG1 ILE 47 3.148 0.858 3.479
392 2HG1 ILE 47 1HG1 ILE 47 1.735 0.897 2.430
393 1HG2 ILE 47 1HG2 ILE 47 5.538 0.040 0.728
394 2HG2 ILE 47 2HG2 ILE 47 4.707 -1.194 1.673
395 3HG2 ILE 47 3HG2 ILE 47 5.395 0.220 2.477
396 1HD1 ILE 47 1HD1 ILE 47 1.775 -1.098 3.821
397 2HD1 ILE 47 2HD1 ILE 47 3.329 -1.555 3.127
398 3HD1 ILE 47 3HD1 ILE 47 1.890 -1.507 2.110
399 H TYR 48 H TYR 48 4.149 1.863 -1.389
400 HA TYR 48 HA TYR 48 7.056 2.203 -1.213
401 1HB TYR 48 2HB TYR 48 5.685 0.320 -2.515
402 2HB TYR 48 1HB TYR 48 5.676 1.552 -3.776
403 HD1 TYR 48 HD1 TYR 48 7.876 -0.535 -1.659
404 HD2 TYR 48 HD2 TYR 48 7.611 1.963 -5.090
405 HE1 TYR 48 HE1 TYR 48 10.122 -1.258 -2.351
406 HE2 TYR 48 HE2 TYR 48 9.858 1.247 -5.791
407 HH TYR 48 HH TYR 48 11.891 0.314 -4.779
408 H GLY 49 H GLY 49 4.349 4.029 -1.765
409 1HA GLY 49 2HA GLY 49 5.559 5.630 -3.903
410 2HA GLY 49 1HA GLY 49 3.860 5.628 -3.471
411 H LEU 50 H LEU 50 3.437 6.474 -1.139
412 HA LEU 50 HA LEU 50 4.773 9.087 -1.244
413 1HB LEU 50 2HB LEU 50 1.995 8.415 -0.294
414 2HB LEU 50 1HB LEU 50 2.697 10.021 -0.334
415 HG LEU 50 HG LEU 50 2.052 8.285 -2.721
416 1HD1 LEU 50 1HD1 LEU 50 0.106 9.298 -1.685
417 2HD1 LEU 50 2HD1 LEU 50 0.451 10.065 -3.234
418 3HD1 LEU 50 3HD1 LEU 50 0.883 10.879 -1.730
419 1HD2 LEU 50 1HD2 LEU 50 4.087 9.571 -3.121
420 2HD2 LEU 50 2HD2 LEU 50 3.259 11.047 -2.623
421 3HD2 LEU 50 3HD2 LEU 50 2.742 10.191 -4.076
422 H ILE 51 H ILE 51 2.871 7.416 1.286
423 HA ILE 51 HA ILE 51 4.747 8.611 3.211
424 HB ILE 51 HB ILE 51 2.611 8.756 4.710
425 1HG1 ILE 51 2HG1 ILE 51 0.609 9.429 3.329
426 2HG1 ILE 51 1HG1 ILE 51 1.428 8.779 1.921
427 1HG2 ILE 51 1HG2 ILE 51 2.247 11.054 3.936
428 2HG2 ILE 51 2HG2 ILE 51 3.157 10.696 2.468
429 3HG2 ILE 51 3HG2 ILE 51 3.961 10.651 4.036
430 1HD1 ILE 51 1HD1 ILE 51 -0.209 7.226 2.799
431 2HD1 ILE 51 2HD1 ILE 51 0.618 7.221 4.356
432 3HD1 ILE 51 3HD1 ILE 51 1.421 6.566 2.927
433 H THR 52 H THR 52 4.016 7.742 5.548
434 HA THR 52 HA THR 52 4.656 4.930 5.468
435 HB THR 52 HB THR 52 4.738 5.071 7.912
436 HG1 THR 52 HG1 THR 52 4.465 7.613 8.446
437 1HG2 THR 52 1HG2 THR 52 6.081 7.411 6.555
438 2HG2 THR 52 2HG2 THR 52 6.721 5.772 6.690
439 3HG2 THR 52 3HG2 THR 52 6.518 6.762 8.137
440 H LEU 53 H LEU 53 3.424 3.502 7.136
441 HA LEU 53 HA LEU 53 0.742 3.294 6.244
442 1HB LEU 53 2HB LEU 53 2.130 1.355 6.888
443 2HB LEU 53 1HB LEU 53 2.081 1.889 8.556
444 HG LEU 53 HG LEU 53 -0.333 1.535 8.629
445 1HD1 LEU 53 1HD1 LEU 53 -0.863 2.045 6.308
446 2HD1 LEU 53 2HD1 LEU 53 -1.495 0.462 6.764
447 3HD1 LEU 53 3HD1 LEU 53 -0.031 0.578 5.786
448 1HD2 LEU 53 1HD2 LEU 53 1.103 -0.313 9.248
449 2HD2 LEU 53 2HD2 LEU 53 1.200 -0.829 7.564
450 3HD2 LEU 53 3HD2 LEU 53 -0.338 -0.911 8.423
451 H ALA 54 H ALA 54 2.183 5.147 8.691
452 HA ALA 54 HA ALA 54 0.021 5.277 10.526
453 1HB ALA 54 1HB ALA 54 1.121 7.317 11.359
454 2HB ALA 54 2HB ALA 54 2.210 7.286 9.972
455 3HB ALA 54 3HB ALA 54 2.264 5.987 11.163
456 H GLU 55 H GLU 55 1.094 7.543 7.986
457 HA GLU 55 HA GLU 55 -1.214 9.173 8.065
458 1HB GLU 55 2HB GLU 55 1.208 9.294 6.789
459 2HB GLU 55 1HB GLU 55 0.129 8.918 5.456
460 1HG GLU 55 2HG GLU 55 -0.016 11.282 7.307
461 2HG GLU 55 1HG GLU 55 0.397 11.285 5.596
462 H ALA 56 H ALA 56 -0.263 6.411 6.084
463 HA ALA 56 HA ALA 56 -2.535 6.244 4.456
464 1HB ALA 56 1HB ALA 56 -0.460 5.001 4.040
465 2HB ALA 56 2HB ALA 56 -1.874 3.945 4.038
466 3HB ALA 56 3HB ALA 56 -0.798 3.981 5.437
467 H LYS 57 H LYS 57 -2.209 5.503 7.833
468 HA LYS 57 HA LYS 57 -4.719 4.011 7.707
469 1HB LYS 57 2HB LYS 57 -2.566 3.559 9.276
470 2HB LYS 57 1HB LYS 57 -3.525 4.567 10.355
471 1HG LYS 57 2HG LYS 57 -5.430 3.047 10.049
472 2HG LYS 57 1HG LYS 57 -4.432 2.018 9.034
473 1HD LYS 57 2HD LYS 57 -3.946 2.661 11.937
474 2HD LYS 57 1HD LYS 57 -4.579 1.142 11.304
475 1HE LYS 57 2HE LYS 57 -2.447 0.913 10.000
476 2HE LYS 57 1HE LYS 57 -1.837 2.310 10.881
477 1HZ LYS 57 1HZ LYS 57 -2.733 -0.245 12.115
478 2HZ LYS 57 2HZ LYS 57 -2.141 1.105 12.950
479 3HZ LYS 57 3HZ LYS 57 -1.118 0.242 11.906
480 H GLN 58 H GLN 58 -3.392 7.055 8.887
481 HA GLN 58 HA GLN 58 -5.706 7.962 10.219
482 1HB GLN 58 2HB GLN 58 -3.506 9.521 8.855
483 2HB GLN 58 1HB GLN 58 -4.748 10.245 9.866
484 1HG GLN 58 2HG GLN 58 -3.970 8.888 11.762
485 2HG GLN 58 1HG GLN 58 -2.695 8.227 10.739
486 1HE2 GLN 58 1HE2 GLN 58 -2.514 9.778 13.206
487 2HE2 GLN 58 2HE2 GLN 58 -1.539 11.160 12.813
488 H THR 59 H THR 59 -4.690 8.157 6.852
489 HA THR 59 HA THR 59 -7.207 9.488 6.168
490 HB THR 59 HB THR 59 -4.851 8.863 4.379
491 HG1 THR 59 HG1 THR 59 -3.973 10.540 5.328
492 1HG2 THR 59 1HG2 THR 59 -6.945 9.139 3.152
493 2HG2 THR 59 2HG2 THR 59 -5.883 10.520 2.878
494 3HG2 THR 59 3HG2 THR 59 -7.250 10.663 3.984
495 H TYR 60 H TYR 60 -5.326 6.597 5.193
496 HA TYR 60 HA TYR 60 -7.656 5.691 3.667
497 1HB TYR 60 2HB TYR 60 -4.825 4.685 3.431
498 2HB TYR 60 1HB TYR 60 -6.161 4.355 2.342
499 HD1 TYR 60 HD1 TYR 60 -6.713 5.843 0.581
500 HD2 TYR 60 HD2 TYR 60 -3.800 6.977 3.465
501 HE1 TYR 60 HE1 TYR 60 -6.049 7.736 -0.840
502 HE2 TYR 60 HE2 TYR 60 -3.131 8.876 2.053
503 HH TYR 60 HH TYR 60 -4.961 9.813 -0.738
504 H GLY 61 H GLY 61 -6.985 5.369 6.627
505 1HA GLY 61 2HA GLY 61 -5.881 2.933 7.248
506 2HA GLY 61 1HA GLY 61 -7.033 3.779 8.258
507 H LEU 62 H LEU 62 -9.233 3.560 6.389
508 HA LEU 62 HA LEU 62 -11.090 2.234 6.229
509 1HB LEU 62 2HB LEU 62 -9.530 -0.275 5.971
510 2HB LEU 62 1HB LEU 62 -10.880 0.305 5.019
511 HG LEU 62 HG LEU 62 -8.594 1.960 4.505
512 1HD1 LEU 62 1HD1 LEU 62 -7.250 0.076 5.244
513 2HD1 LEU 62 2HD1 LEU 62 -7.124 0.277 3.497
514 3HD1 LEU 62 3HD1 LEU 62 -8.139 -1.000 4.166
515 1HD2 LEU 62 1HD2 LEU 62 -10.032 -0.044 2.781
516 2HD2 LEU 62 2HD2 LEU 62 -8.970 1.248 2.218
517 3HD2 LEU 62 3HD2 LEU 62 -10.500 1.645 3.004
518 H SER 63 H SER 63 -9.066 -0.325 7.421
519 HA SER 63 HA SER 63 -9.691 0.025 10.190
520 1HB SER 63 2HB SER 63 -11.721 -1.205 9.395
521 2HB SER 63 1HB SER 63 -10.674 -2.474 8.760
522 HG SER 63 HG SER 63 -11.033 -1.705 11.471
523 H ASP 64 H ASP 64 -8.152 -1.197 11.449
524 HA ASP 64 HA ASP 64 -5.673 -1.541 10.203
525 1HB ASP 64 2HB ASP 64 -6.084 -1.243 12.691
526 2HB ASP 64 1HB ASP 64 -6.490 -2.956 12.745
527 H GLU 65 H GLU 65 -8.155 -3.894 11.048
528 HA GLU 65 HA GLU 65 -6.804 -6.222 10.253
529 1HB GLU 65 2HB GLU 65 -9.755 -5.575 10.342
530 2HB GLU 65 1HB GLU 65 -9.115 -7.185 10.037
531 1HG GLU 65 2HG GLU 65 -8.538 -5.585 12.518
532 2HG GLU 65 1HG GLU 65 -9.825 -6.785 12.380
533 H GLU 66 H GLU 66 -8.812 -3.956 8.433
534 HA GLU 66 HA GLU 66 -9.093 -5.450 6.082
535 1HB GLU 66 2HB GLU 66 -10.421 -3.440 6.571
536 2HB GLU 66 1HB GLU 66 -8.981 -2.446 6.420
537 1HG GLU 66 2HG GLU 66 -10.333 -2.280 4.428
538 2HG GLU 66 1HG GLU 66 -8.800 -3.064 4.060
539 H PHE 67 H PHE 67 -6.843 -2.737 6.681
540 HA PHE 67 HA PHE 67 -5.393 -3.095 4.301
541 1HB PHE 67 2HB PHE 67 -5.463 -1.073 5.913
542 2HB PHE 67 1HB PHE 67 -4.195 -1.912 6.798
543 HD1 PHE 67 HD1 PHE 67 -2.084 -2.571 5.453
544 HD2 PHE 67 HD2 PHE 67 -4.941 0.291 4.131
545 HE1 PHE 67 HE1 PHE 67 -0.413 -1.612 3.922
546 HE2 PHE 67 HE2 PHE 67 -3.278 1.250 2.593
547 HZ PHE 67 HZ PHE 67 -1.008 0.296 2.489
548 H ASN 68 H ASN 68 -5.009 -4.398 7.538
549 HA ASN 68 HA ASN 68 -2.469 -5.567 7.329
550 1HB ASN 68 2HB ASN 68 -4.503 -5.448 9.223
551 2HB ASN 68 1HB ASN 68 -4.384 -7.163 8.848
552 1HD2 ASN 68 1HD2 ASN 68 -3.648 -5.374 11.175
553 2HD2 ASN 68 2HD2 ASN 68 -2.037 -5.857 11.572
554 H SER 69 H SER 69 -5.675 -6.753 6.479
555 HA SER 69 HA SER 69 -4.902 -9.387 5.811
556 1HB SER 69 2HB SER 69 -7.248 -8.573 6.310
557 2HB SER 69 1HB SER 69 -7.271 -7.884 4.686
558 HG SER 69 HG SER 69 -7.658 -10.444 5.478
559 H TRP 70 H TRP 70 -4.817 -6.368 4.050
560 HA TRP 70 HA TRP 70 -4.600 -7.419 1.432
561 1HB TRP 70 2HB TRP 70 -3.417 -4.859 2.550
562 2HB TRP 70 1HB TRP 70 -3.566 -5.245 0.842
563 HD1 TRP 70 HD1 TRP 70 -6.670 -6.419 2.278
564 HE1 TRP 70 HE1 TRP 70 -8.545 -4.669 2.097
565 HE3 TRP 70 HE3 TRP 70 -3.841 -2.329 1.112
566 HZ2 TRP 70 HZ2 TRP 70 -8.791 -1.921 1.480
567 HZ3 TRP 70 HZ3 TRP 70 -4.974 -0.186 0.725
568 HH2 TRP 70 HH2 TRP 70 -7.395 0.014 0.907
569 H VAL 71 H VAL 71 -2.180 -6.502 3.841
570 HA VAL 71 HA VAL 71 0.079 -7.294 2.324
571 HB VAL 71 HB VAL 71 -0.113 -7.181 5.334
572 1HG1 VAL 71 1HG1 VAL 71 1.918 -8.232 4.477
573 2HG1 VAL 71 2HG1 VAL 71 2.278 -6.675 5.222
574 3HG1 VAL 71 3HG1 VAL 71 2.226 -6.822 3.466
575 1HG2 VAL 71 1HG2 VAL 71 0.618 -4.846 5.153
576 2HG2 VAL 71 2HG2 VAL 71 -0.956 -5.096 4.398
577 3HG2 VAL 71 3HG2 VAL 71 0.490 -4.949 3.398
578 H SER 72 H SER 72 -1.995 -8.934 4.646
579 HA SER 72 HA SER 72 -0.513 -11.309 4.902
580 1HB SER 72 2HB SER 72 -2.357 -10.686 6.421
581 2HB SER 72 1HB SER 72 -3.511 -10.914 5.107
582 HG SER 72 HG SER 72 -1.776 -13.018 5.816
583 H ALA 73 H ALA 73 -2.787 -10.199 2.467
584 HA ALA 73 HA ALA 73 -2.997 -12.729 1.130
585 1HB ALA 73 1HB ALA 73 -4.122 -11.485 -0.628
586 2HB ALA 73 2HB ALA 73 -3.604 -9.961 0.090
587 3HB ALA 73 3HB ALA 73 -4.742 -10.999 0.950
588 H LEU 74 H LEU 74 -0.866 -10.000 1.013
589 HA LEU 74 HA LEU 74 0.351 -10.815 -1.491
590 1HB LEU 74 2HB LEU 74 0.944 -8.545 0.410
591 2HB LEU 74 1HB LEU 74 1.805 -8.822 -1.094
592 HG LEU 74 HG LEU 74 -1.161 -8.305 -0.913
593 1HD1 LEU 74 1HD1 LEU 74 1.067 -6.430 -1.680
594 2HD1 LEU 74 2HD1 LEU 74 0.129 -6.364 -0.186
595 3HD1 LEU 74 3HD1 LEU 74 -0.663 -6.079 -1.739
596 1HD2 LEU 74 1HD2 LEU 74 -0.525 -9.583 -2.877
597 2HD2 LEU 74 2HD2 LEU 74 0.731 -8.404 -3.258
598 3HD2 LEU 74 3HD2 LEU 74 -0.967 -7.937 -3.333
599 H ALA 75 H ALA 75 0.659 -11.678 1.696
600 HA ALA 75 HA ALA 75 3.432 -12.017 2.011
601 1HB ALA 75 1HB ALA 75 1.192 -13.676 3.166
602 2HB ALA 75 2HB ALA 75 1.862 -12.204 3.871
603 3HB ALA 75 3HB ALA 75 2.861 -13.652 3.733
604 H GLU 76 H GLU 76 0.956 -14.331 0.956
605 HA GLU 76 HA GLU 76 0.988 -16.078 -0.482
606 1HB GLU 76 2HB GLU 76 2.223 -14.236 -1.848
607 2HB GLU 76 1HB GLU 76 3.661 -15.193 -1.528
608 1HG GLU 76 2HG GLU 76 2.712 -15.730 -3.692
609 2HG GLU 76 1HG GLU 76 2.628 -17.118 -2.606
610 H HIS 77 H HIS 77 2.519 -16.081 2.149
611 HA HIS 77 HA HIS 77 4.156 -18.469 1.606
612 1HB HIS 77 2HB HIS 77 4.638 -16.208 3.538
613 2HB HIS 77 1HB HIS 77 5.367 -17.789 3.788
614 HD1 HIS 77 HD1 HIS 77 7.595 -16.169 3.519
615 HD2 HIS 77 HD2 HIS 77 5.402 -17.058 0.090
616 HE1 HIS 77 HE1 HIS 77 9.132 -15.716 1.579
617 HE2 HIS 77 HE2 HIS 77 7.854 -16.467 -0.460
618 H GLY 78 H GLY 78 2.669 -16.894 4.454
619 1HA GLY 78 2HA GLY 78 1.050 -17.820 5.891
620 2HA GLY 78 1HA GLY 78 1.221 -19.358 5.052
621 H LYS 79 H LYS 79 1.621 -18.052 7.945
622 HA LYS 79 HA LYS 79 2.837 -18.421 9.803
623 1HB LYS 79 2HB LYS 79 3.838 -20.773 8.209
624 2HB LYS 79 1HB LYS 79 4.376 -20.447 9.852
625 1HG LYS 79 2HG LYS 79 1.553 -20.992 8.959
626 2HG LYS 79 1HG LYS 79 2.593 -22.057 9.910
627 1HD LYS 79 2HD LYS 79 2.628 -20.443 11.725
628 2HD LYS 79 1HD LYS 79 1.664 -19.317 10.770
629 1HE LYS 79 2HE LYS 79 -0.161 -21.000 10.729
630 2HE LYS 79 1HE LYS 79 0.803 -22.016 11.804
631 1HZ LYS 79 1HZ LYS 79 -0.178 -19.277 12.414
632 2HZ LYS 79 2HZ LYS 79 0.773 -20.231 13.445
633 3HZ LYS 79 3HZ LYS 79 -0.801 -20.717 13.053
634 H ASP 80 H ASP 80 4.739 -18.521 6.855
635 HA ASP 80 HA ASP 80 6.999 -17.260 8.126
636 1HB ASP 80 2HB ASP 80 7.379 -18.848 6.274
637 2HB ASP 80 1HB ASP 80 6.458 -17.802 5.197
638 H ALA 81 H ALA 81 5.670 -15.566 8.928
639 HA ALA 81 HA ALA 81 4.810 -13.519 7.060
640 1HB ALA 81 1HB ALA 81 4.854 -13.502 10.077
641 2HB ALA 81 2HB ALA 81 3.480 -13.956 9.067
642 3HB ALA 81 3HB ALA 81 4.083 -12.298 9.044
643 H LEU 82 H LEU 82 7.685 -14.428 7.592
644 HA LEU 82 HA LEU 82 8.886 -11.938 8.523
645 1HB LEU 82 2HB LEU 82 10.221 -14.546 7.796
646 2HB LEU 82 1HB LEU 82 10.973 -13.177 8.591
647 HG LEU 82 HG LEU 82 8.761 -14.856 9.774
648 1HD1 LEU 82 1HD1 LEU 82 10.860 -16.097 9.571
649 2HD1 LEU 82 2HD1 LEU 82 10.483 -15.732 11.255
650 3HD1 LEU 82 3HD1 LEU 82 11.709 -14.793 10.404
651 1HD2 LEU 82 1HD2 LEU 82 9.266 -13.652 11.841
652 2HD2 LEU 82 2HD2 LEU 82 8.742 -12.546 10.569
653 3HD2 LEU 82 3HD2 LEU 82 10.453 -12.669 10.980
654 H LYS 83 H LYS 83 8.619 -13.975 5.669
655 HA LYS 83 HA LYS 83 10.292 -12.078 4.174
656 1HB LYS 83 2HB LYS 83 9.329 -14.790 3.264
657 2HB LYS 83 1HB LYS 83 10.587 -13.805 2.530
658 1HG LYS 83 2HG LYS 83 12.003 -14.119 4.476
659 2HG LYS 83 1HG LYS 83 10.728 -15.046 5.269
660 1HD LYS 83 2HD LYS 83 10.839 -16.626 3.294
661 2HD LYS 83 1HD LYS 83 12.321 -15.786 2.827
662 1HE LYS 83 2HE LYS 83 11.805 -17.247 5.412
663 2HE LYS 83 1HE LYS 83 12.881 -17.752 4.111
664 1HZ LYS 83 1HZ LYS 83 14.301 -15.897 4.537
665 2HZ LYS 83 2HZ LYS 83 14.033 -16.704 6.007
666 3HZ LYS 83 3HZ LYS 83 13.224 -15.256 5.676
667 H VAL 84 H VAL 84 7.419 -11.751 4.981
668 HA VAL 84 HA VAL 84 5.726 -11.888 2.758
669 HB VAL 84 HB VAL 84 5.769 -9.787 4.935
670 1HG1 VAL 84 1HG1 VAL 84 4.484 -9.032 3.014
671 2HG1 VAL 84 2HG1 VAL 84 3.415 -9.414 4.364
672 3HG1 VAL 84 3HG1 VAL 84 3.568 -10.539 3.015
673 1HG2 VAL 84 1HG2 VAL 84 5.545 -12.034 5.826
674 2HG2 VAL 84 2HG2 VAL 84 4.215 -12.361 4.714
675 3HG2 VAL 84 3HG2 VAL 84 4.027 -11.152 5.987
676 H THR 85 H THR 85 5.613 -10.760 0.921
677 HA THR 85 HA THR 85 7.802 -9.510 -0.124
678 HB THR 85 HB THR 85 6.242 -8.589 -1.876
679 HG1 THR 85 HG1 THR 85 4.108 -10.059 -0.941
680 1HG2 THR 85 1HG2 THR 85 5.575 -10.798 -2.716
681 2HG2 THR 85 2HG2 THR 85 5.884 -11.494 -1.125
682 3HG2 THR 85 3HG2 THR 85 7.216 -10.829 -2.071
683 H ALA 86 H ALA 86 4.810 -7.660 0.493
684 HA ALA 86 HA ALA 86 6.058 -5.162 0.205
685 1HB ALA 86 1HB ALA 86 3.496 -5.786 1.657
686 2HB ALA 86 2HB ALA 86 3.654 -5.523 -0.080
687 3HB ALA 86 3HB ALA 86 3.997 -4.210 1.047
688 H LEU 87 H LEU 87 5.946 -7.273 2.908
689 HA LEU 87 HA LEU 87 6.230 -5.195 4.893
690 1HB LEU 87 2HB LEU 87 5.087 -7.543 5.115
691 2HB LEU 87 1HB LEU 87 6.716 -8.108 5.418
692 HG LEU 87 HG LEU 87 5.420 -7.711 7.488
693 1HD1 LEU 87 1HD1 LEU 87 7.115 -6.398 8.672
694 2HD1 LEU 87 2HD1 LEU 87 7.781 -5.873 7.125
695 3HD1 LEU 87 3HD1 LEU 87 7.838 -7.577 7.578
696 1HD2 LEU 87 1HD2 LEU 87 5.492 -4.818 6.633
697 2HD2 LEU 87 2HD2 LEU 87 4.901 -5.432 8.178
698 3HD2 LEU 87 3HD2 LEU 87 4.061 -5.846 6.684
699 H LYS 88 H LYS 88 8.226 -7.812 3.563
700 HA LYS 88 HA LYS 88 10.545 -7.052 5.027
701 1HB LYS 88 2HB LYS 88 10.135 -9.349 4.113
702 2HB LYS 88 1HB LYS 88 10.422 -8.712 2.501
703 1HG LYS 88 2HG LYS 88 12.695 -8.266 2.972
704 2HG LYS 88 1HG LYS 88 12.456 -8.505 4.702
705 1HD LYS 88 2HD LYS 88 11.989 -10.881 4.301
706 2HD LYS 88 1HD LYS 88 12.247 -10.634 2.571
707 1HE LYS 88 2HE LYS 88 14.552 -10.056 2.941
708 2HE LYS 88 1HE LYS 88 14.324 -10.072 4.689
709 1HZ LYS 88 1HZ LYS 88 13.982 -12.462 2.955
710 2HZ LYS 88 2HZ LYS 88 14.008 -12.417 4.652
711 3HZ LYS 88 3HZ LYS 88 15.421 -12.087 3.775
712 H LYS 89 H LYS 89 9.204 -6.132 1.916
713 HA LYS 89 HA LYS 89 11.474 -4.775 0.897
714 1HB LYS 89 2HB LYS 89 8.537 -4.157 0.524
715 2HB LYS 89 1HB LYS 89 9.832 -3.403 -0.389
716 1HG LYS 89 2HG LYS 89 10.435 -5.562 -1.338
717 2HG LYS 89 1HG LYS 89 9.150 -6.337 -0.406
718 1HD LYS 89 2HD LYS 89 7.554 -4.720 -1.549
719 2HD LYS 89 1HD LYS 89 8.885 -4.336 -2.640
720 1HE LYS 89 2HE LYS 89 7.632 -7.046 -2.212
721 2HE LYS 89 1HE LYS 89 7.436 -6.011 -3.627
722 1HZ LYS 89 1HZ LYS 89 9.030 -7.644 -4.169
723 2HZ LYS 89 2HZ LYS 89 9.890 -7.414 -2.731
724 3HZ LYS 89 3HZ LYS 89 9.902 -6.206 -3.927
725 H TYR 90 H TYR 90 8.725 -3.594 2.802
726 HA TYR 90 HA TYR 90 9.647 -0.939 3.007
727 1HB TYR 90 2HB TYR 90 7.304 -2.001 3.480
728 2HB TYR 90 1HB TYR 90 7.932 -2.233 5.104
729 HD1 TYR 90 HD1 TYR 90 6.872 -0.706 6.492
730 HD2 TYR 90 HD2 TYR 90 8.294 0.600 2.701
731 HE1 TYR 90 HE1 TYR 90 6.223 1.601 7.048
732 HE2 TYR 90 HE2 TYR 90 7.650 2.909 3.246
733 HH TYR 90 HH TYR 90 6.160 4.098 4.690
734 H ARG 91 H ARG 91 10.030 -3.765 5.087
735 HA ARG 91 HA ARG 91 11.236 -2.359 7.238
736 1HB ARG 91 2HB ARG 91 10.049 -4.648 7.220
737 2HB ARG 91 1HB ARG 91 11.597 -5.291 6.696
738 1HG ARG 91 2HG ARG 91 12.658 -4.557 8.712
739 2HG ARG 91 1HG ARG 91 11.196 -3.706 9.220
740 1HD ARG 91 2HD ARG 91 10.016 -5.925 9.170
741 2HD ARG 91 1HD ARG 91 11.590 -6.679 8.932
742 HE ARG 91 HE ARG 91 12.165 -5.476 11.126
743 1HH1 ARG 91 1HH1 ARG 91 9.011 -6.765 10.321
744 2HH1 ARG 91 2HH1 ARG 91 8.542 -7.034 11.971
745 1HH2 ARG 91 1HH2 ARG 91 11.586 -5.825 13.294
746 2HH2 ARG 91 2HH2 ARG 91 10.017 -6.493 13.682
747 H GLN 92 H GLN 92 12.521 -4.175 4.483
748 HA GLN 92 HA GLN 92 15.244 -4.013 5.355
749 1HB GLN 92 2HB GLN 92 14.512 -5.827 3.894
750 2HB GLN 92 1HB GLN 92 14.062 -4.673 2.649
751 1HG GLN 92 2HG GLN 92 16.136 -5.680 2.043
752 2HG GLN 92 1HG GLN 92 16.437 -3.999 2.478
753 1HE2 GLN 92 1HE2 GLN 92 17.503 -3.537 4.418
754 2HE2 GLN 92 2HE2 GLN 92 18.428 -4.738 5.256
755 H LEU 93 H LEU 93 13.149 -2.094 3.302
756 HA LEU 93 HA LEU 93 15.140 -0.561 2.026
757 1HB LEU 93 2HB LEU 93 12.918 -0.668 1.138
758 2HB LEU 93 1HB LEU 93 12.233 -0.010 2.606
759 HG LEU 93 HG LEU 93 13.416 2.143 2.115
760 1HD1 LEU 93 1HD1 LEU 93 14.031 0.776 -0.503
761 2HD1 LEU 93 2HD1 LEU 93 15.202 1.280 0.716
762 3HD1 LEU 93 3HD1 LEU 93 14.268 2.490 -0.163
763 1HD2 LEU 93 1HD2 LEU 93 11.072 1.853 1.553
764 2HD2 LEU 93 2HD2 LEU 93 11.512 1.123 0.010
765 3HD2 LEU 93 3HD2 LEU 93 11.882 2.818 0.319
766 H LEU 94 H LEU 94 13.800 -0.396 5.216
767 HA LEU 94 HA LEU 94 14.766 2.276 5.719
768 1HB LEU 94 2HB LEU 94 13.351 0.198 7.298
769 2HB LEU 94 1HB LEU 94 14.286 1.382 8.186
770 HG LEU 94 HG LEU 94 12.967 3.189 7.135
771 1HD1 LEU 94 1HD1 LEU 94 10.921 2.661 5.923
772 2HD1 LEU 94 2HD1 LEU 94 11.323 0.944 5.975
773 3HD1 LEU 94 3HD1 LEU 94 12.341 2.062 5.067
774 1HD2 LEU 94 1HD2 LEU 94 11.371 1.067 8.556
775 2HD2 LEU 94 2HD2 LEU 94 10.878 2.749 8.356
776 3HD2 LEU 94 3HD2 LEU 94 12.313 2.356 9.302
777 H GLU 95 H GLU 95 16.185 -0.744 5.513
778 HA GLU 95 HA GLU 95 18.345 -0.032 7.370
779 1HB GLU 95 2HB GLU 95 17.801 -2.626 5.915
780 2HB GLU 95 1HB GLU 95 19.149 -2.345 7.002
781 1HG GLU 95 2HG GLU 95 17.540 -1.972 8.836
782 2HG GLU 95 1HG GLU 95 16.231 -2.371 7.719
783 H HIS 96 H HIS 96 20.290 0.589 6.620
784 HA HIS 96 HA HIS 96 20.745 0.636 3.742
785 1HB HIS 96 2HB HIS 96 22.410 1.680 6.052
786 2HB HIS 96 1HB HIS 96 22.823 1.876 4.350
787 HD1 HIS 96 HD1 HIS 96 21.502 3.802 6.933
788 HD2 HIS 96 HD2 HIS 96 20.316 3.120 3.002
789 HE1 HIS 96 HE1 HIS 96 19.975 5.715 6.336
790 HE2 HIS 96 HE2 HIS 96 19.137 5.191 4.021
791 H HIS 97 H HIS 97 20.504 -1.880 4.770
792 HA HIS 97 HA HIS 97 23.059 -3.055 5.397
793 1HB HIS 97 2HB HIS 97 20.882 -3.847 6.341
794 2HB HIS 97 1HB HIS 97 20.413 -4.376 4.732
795 HD1 HIS 97 HD1 HIS 97 21.430 -6.560 3.855
796 HD2 HIS 97 HD2 HIS 97 22.786 -5.467 7.634
797 HE1 HIS 97 HE1 HIS 97 22.633 -8.576 4.755
798 HE2 HIS 97 HE2 HIS 97 23.289 -7.952 7.109
799 H HIS 98 H HIS 98 24.266 -4.413 4.082
800 HA HIS 98 HA HIS 98 24.297 -3.844 1.314
801 1HB HIS 98 2HB HIS 98 25.681 -5.967 2.952
802 2HB HIS 98 1HB HIS 98 25.932 -5.798 1.220
803 HD1 HIS 98 HD1 HIS 98 28.012 -4.587 0.737
804 HD2 HIS 98 HD2 HIS 98 26.219 -3.204 4.226
805 HE1 HIS 98 HE1 HIS 98 29.520 -2.776 1.603
806 HE2 HIS 98 HE2 HIS 98 28.502 -2.068 3.795
807 H HIS 99 H HIS 99 22.848 -4.510 -0.123
808 HA HIS 99 HA HIS 99 21.198 -6.789 0.211
809 1HB HIS 99 2HB HIS 99 20.452 -6.425 -2.065
810 2HB HIS 99 1HB HIS 99 20.605 -4.868 -1.265
811 HD1 HIS 99 HD1 HIS 99 21.568 -6.650 -4.291
812 HD2 HIS 99 HD2 HIS 99 23.074 -3.459 -2.072
813 HE1 HIS 99 HE1 HIS 99 23.137 -5.427 -5.825
814 HE2 HIS 99 HE2 HIS 99 24.144 -3.595 -4.422
815 H HIS 100 H HIS 100 21.432 -8.873 -0.406
816 HA HIS 100 HA HIS 100 24.101 -9.728 -1.127
817 1HB HIS 100 2HB HIS 100 21.631 -11.440 -0.736
818 2HB HIS 100 1HB HIS 100 23.299 -11.994 -0.774
819 HD1 HIS 100 HD1 HIS 100 24.769 -11.459 1.348
820 HD2 HIS 100 HD2 HIS 100 20.731 -10.506 1.696
821 HE1 HIS 100 HE1 HIS 100 24.355 -11.131 3.808
822 HE2 HIS 100 HE2 HIS 100 21.867 -10.772 4.005
823 H HIS 101 H HIS 101 23.969 -8.581 -3.218
824 HA HIS 101 HA HIS 101 23.709 -8.448 -5.466
825 1HB HIS 101 2HB HIS 101 24.785 -10.621 -5.526
826 2HB HIS 101 1HB HIS 101 23.262 -11.427 -5.168
827 HD1 HIS 101 HD1 HIS 101 22.093 -12.344 -7.134
828 HD2 HIS 101 HD2 HIS 101 24.606 -9.202 -8.177
829 HE1 HIS 101 HE1 HIS 101 21.960 -12.176 -9.638
830 HE2 HIS 101 HE2 HIS 101 23.380 -10.181 -10.238
Start of MODEL 19
1 1H MET 1 1H MET 1 25.066 11.450 -14.076
2 2H MET 1 2H MET 1 26.318 11.436 -15.214
3 3H MET 1 3H MET 1 24.704 11.519 -15.729
4 HA MET 1 HA MET 1 26.112 13.584 -14.139
5 1HB MET 1 2HB MET 1 25.365 13.510 -17.067
6 2HB MET 1 1HB MET 1 25.871 14.965 -16.222
7 1HG MET 1 2HG MET 1 28.023 13.897 -15.714
8 2HG MET 1 1HG MET 1 27.507 12.476 -16.619
9 1HE MET 1 1HE MET 1 27.201 12.412 -19.258
10 2HE MET 1 2HE MET 1 27.246 13.857 -20.265
11 3HE MET 1 3HE MET 1 25.968 13.658 -19.066
12 H MET 2 H MET 2 23.460 13.541 -16.512
13 HA MET 2 HA MET 2 21.734 14.754 -14.449
14 1HB MET 2 2HB MET 2 22.253 16.364 -16.207
15 2HB MET 2 1HB MET 2 21.749 15.217 -17.441
16 1HG MET 2 2HG MET 2 19.457 15.298 -16.527
17 2HG MET 2 1HG MET 2 19.990 16.517 -15.372
18 1HE MET 2 1HE MET 2 21.939 18.333 -17.013
19 2HE MET 2 2HE MET 2 20.647 18.995 -16.011
20 3HE MET 2 3HE MET 2 20.845 19.548 -17.674
21 H PHE 3 H PHE 3 19.653 13.959 -14.243
22 HA PHE 3 HA PHE 3 19.233 11.302 -15.304
23 1HB PHE 3 2HB PHE 3 17.530 12.972 -13.445
24 2HB PHE 3 1HB PHE 3 17.287 11.266 -13.801
25 HD1 PHE 3 HD1 PHE 3 19.091 13.679 -11.828
26 HD2 PHE 3 HD2 PHE 3 18.990 9.607 -13.060
27 HE1 PHE 3 HE1 PHE 3 20.578 13.084 -9.962
28 HE2 PHE 3 HE2 PHE 3 20.476 9.003 -11.194
29 HZ PHE 3 HZ PHE 3 21.271 10.742 -9.644
30 H LEU 4 H LEU 4 19.144 13.553 -17.146
31 HA LEU 4 HA LEU 4 18.035 14.197 -19.008
32 1HB LEU 4 2HB LEU 4 15.913 12.217 -18.177
33 2HB LEU 4 1HB LEU 4 16.032 13.000 -19.743
34 HG LEU 4 HG LEU 4 18.039 11.058 -18.589
35 1HD1 LEU 4 1HD1 LEU 4 17.236 9.573 -20.388
36 2HD1 LEU 4 2HD1 LEU 4 15.975 10.749 -20.766
37 3HD1 LEU 4 3HD1 LEU 4 15.989 9.943 -19.197
38 1HD2 LEU 4 1HD2 LEU 4 19.085 12.734 -20.030
39 2HD2 LEU 4 2HD2 LEU 4 17.927 12.364 -21.307
40 3HD2 LEU 4 3HD2 LEU 4 19.086 11.142 -20.789
41 H ARG 5 H ARG 5 15.777 13.751 -16.312
42 HA ARG 5 HA ARG 5 14.975 16.561 -16.594
43 1HB ARG 5 2HB ARG 5 13.281 14.951 -17.633
44 2HB ARG 5 1HB ARG 5 13.003 14.345 -16.006
45 1HG ARG 5 2HG ARG 5 12.499 16.768 -15.385
46 2HG ARG 5 1HG ARG 5 12.400 17.058 -17.123
47 1HD ARG 5 2HD ARG 5 10.193 16.626 -16.334
48 2HD ARG 5 1HD ARG 5 10.719 15.216 -17.252
49 HE ARG 5 HE ARG 5 11.378 14.599 -14.687
50 1HH1 ARG 5 1HH1 ARG 5 8.418 15.664 -16.216
51 2HH1 ARG 5 2HH1 ARG 5 7.393 14.775 -15.132
52 1HH2 ARG 5 1HH2 ARG 5 10.016 13.452 -13.235
53 2HH2 ARG 5 2HH2 ARG 5 8.289 13.526 -13.438
54 H LYS 6 H LYS 6 13.775 17.243 -14.522
55 HA LYS 6 HA LYS 6 15.324 16.589 -12.264
56 1HB LYS 6 2HB LYS 6 13.646 17.903 -10.990
57 2HB LYS 6 1HB LYS 6 14.280 18.743 -12.396
58 1HG LYS 6 2HG LYS 6 12.267 18.319 -13.630
59 2HG LYS 6 1HG LYS 6 11.638 17.297 -12.336
60 1HD LYS 6 2HD LYS 6 10.620 19.514 -12.278
61 2HD LYS 6 1HD LYS 6 11.592 19.228 -10.835
62 1HE LYS 6 2HE LYS 6 11.981 21.469 -11.639
63 2HE LYS 6 1HE LYS 6 13.436 20.504 -11.865
64 1HZ LYS 6 1HZ LYS 6 12.947 21.879 -13.793
65 2HZ LYS 6 2HZ LYS 6 11.441 21.125 -13.977
66 3HZ LYS 6 3HZ LYS 6 12.867 20.232 -14.189
67 H VAL 7 H VAL 7 15.107 15.170 -10.691
68 HA VAL 7 HA VAL 7 12.713 13.432 -10.658
69 HB VAL 7 HB VAL 7 15.415 12.655 -9.554
70 1HG1 VAL 7 1HG1 VAL 7 14.559 10.369 -9.848
71 2HG1 VAL 7 2HG1 VAL 7 13.033 11.027 -10.436
72 3HG1 VAL 7 3HG1 VAL 7 13.541 11.327 -8.774
73 1HG2 VAL 7 1HG2 VAL 7 15.832 11.407 -11.633
74 2HG2 VAL 7 2HG2 VAL 7 15.773 13.150 -11.900
75 3HG2 VAL 7 3HG2 VAL 7 14.396 12.142 -12.345
76 H GLU 8 H GLU 8 13.353 16.023 -9.385
77 HA GLU 8 HA GLU 8 13.561 15.454 -6.573
78 1HB GLU 8 2HB GLU 8 13.144 17.919 -6.338
79 2HB GLU 8 1HB GLU 8 14.542 17.500 -7.317
80 1HG GLU 8 2HG GLU 8 13.183 17.853 -9.349
81 2HG GLU 8 1HG GLU 8 11.842 18.366 -8.326
82 H GLY 9 H GLY 9 11.943 14.639 -5.496
83 1HA GLY 9 2HA GLY 9 9.837 14.155 -4.754
84 2HA GLY 9 1HA GLY 9 9.431 15.796 -5.220
85 HA PRO 10 HA PRO 10 8.107 13.182 -9.052
86 1HB PRO 10 2HB PRO 10 8.628 10.511 -9.015
87 2HB PRO 10 1HB PRO 10 9.728 11.694 -9.729
88 1HG PRO 10 2HG PRO 10 9.829 10.399 -7.033
89 2HG PRO 10 1HG PRO 10 11.147 10.683 -8.185
90 1HD PRO 10 2HD PRO 10 10.754 12.279 -6.059
91 2HD PRO 10 1HD PRO 10 11.351 12.907 -7.600
92 H ARG 11 H ARG 11 5.977 13.081 -8.754
93 HA ARG 11 HA ARG 11 4.908 11.665 -6.429
94 1HB ARG 11 2HB ARG 11 2.869 12.892 -6.819
95 2HB ARG 11 1HB ARG 11 4.226 14.006 -6.893
96 1HG ARG 11 2HG ARG 11 4.135 13.754 -9.404
97 2HG ARG 11 1HG ARG 11 2.597 12.921 -9.171
98 1HD ARG 11 2HD ARG 11 3.305 15.769 -8.532
99 2HD ARG 11 1HD ARG 11 2.039 15.167 -9.600
100 HE ARG 11 HE ARG 11 1.956 14.821 -6.671
101 1HH1 ARG 11 1HH1 ARG 11 0.416 15.641 -9.703
102 2HH1 ARG 11 2HH1 ARG 11 -1.135 15.947 -8.986
103 1HH2 ARG 11 1HH2 ARG 11 -0.067 15.231 -5.716
104 2HH2 ARG 11 2HH2 ARG 11 -1.411 15.733 -6.700
105 H SER 12 H SER 12 5.707 10.786 -9.403
106 HA SER 12 HA SER 12 3.429 8.943 -9.701
107 1HB SER 12 2HB SER 12 5.443 9.437 -11.879
108 2HB SER 12 1HB SER 12 3.758 8.936 -12.013
109 HG SER 12 HG SER 12 3.177 11.072 -11.315
110 H VAL 13 H VAL 13 3.876 6.894 -9.077
111 HA VAL 13 HA VAL 13 6.714 6.121 -8.930
112 HB VAL 13 HB VAL 13 6.009 4.415 -7.271
113 1HG1 VAL 13 1HG1 VAL 13 5.621 6.011 -5.431
114 2HG1 VAL 13 2HG1 VAL 13 5.335 7.281 -6.621
115 3HG1 VAL 13 3HG1 VAL 13 6.919 6.511 -6.512
116 1HG2 VAL 13 1HG2 VAL 13 3.341 5.825 -7.405
117 2HG2 VAL 13 2HG2 VAL 13 3.802 4.590 -6.231
118 3HG2 VAL 13 3HG2 VAL 13 3.673 4.176 -7.940
119 H THR 14 H THR 14 7.396 4.126 -9.662
120 HA THR 14 HA THR 14 5.591 2.815 -11.561
121 HB THR 14 HB THR 14 8.577 2.427 -11.298
122 HG1 THR 14 HG1 THR 14 7.096 4.469 -12.430
123 1HG2 THR 14 1HG2 THR 14 6.652 1.844 -13.552
124 2HG2 THR 14 2HG2 THR 14 7.395 0.645 -12.494
125 3HG2 THR 14 3HG2 THR 14 8.394 1.591 -13.598
126 H LEU 15 H LEU 15 4.557 1.087 -10.785
127 HA LEU 15 HA LEU 15 5.542 -0.311 -8.460
128 1HB LEU 15 2HB LEU 15 3.113 -0.760 -10.196
129 2HB LEU 15 1HB LEU 15 3.468 -1.670 -8.740
130 HG LEU 15 HG LEU 15 2.885 1.288 -8.898
131 1HD1 LEU 15 1HD1 LEU 15 1.342 -1.009 -7.709
132 2HD1 LEU 15 2HD1 LEU 15 0.907 -0.095 -9.154
133 3HD1 LEU 15 3HD1 LEU 15 0.910 0.696 -7.576
134 1HD2 LEU 15 1HD2 LEU 15 2.993 1.239 -6.446
135 2HD2 LEU 15 2HD2 LEU 15 4.549 0.843 -7.178
136 3HD2 LEU 15 3HD2 LEU 15 3.537 -0.439 -6.511
137 HA PRO 16 HA PRO 16 7.777 -3.589 -10.271
138 1HB PRO 16 2HB PRO 16 6.727 -5.792 -8.962
139 2HB PRO 16 1HB PRO 16 7.981 -4.724 -8.331
140 1HG PRO 16 2HG PRO 16 5.058 -4.759 -7.761
141 2HG PRO 16 1HG PRO 16 6.413 -4.418 -6.671
142 1HD PRO 16 2HD PRO 16 4.854 -2.467 -7.673
143 2HD PRO 16 1HD PRO 16 6.587 -2.229 -7.370
144 H ASP 17 H ASP 17 4.408 -3.492 -10.753
145 HA ASP 17 HA ASP 17 4.296 -5.820 -12.476
146 1HB ASP 17 2HB ASP 17 2.323 -3.568 -12.030
147 2HB ASP 17 1HB ASP 17 2.029 -4.919 -13.113
148 H GLY 18 H GLY 18 5.479 -2.706 -12.714
149 1HA GLY 18 2HA GLY 18 6.466 -1.731 -14.617
150 2HA GLY 18 1HA GLY 18 5.539 -2.826 -15.634
151 H SER 19 H SER 19 3.666 -1.495 -13.216
152 HA SER 19 HA SER 19 2.373 0.300 -15.124
153 1HB SER 19 2HB SER 19 0.515 0.223 -13.367
154 2HB SER 19 1HB SER 19 0.852 -1.290 -14.210
155 HG SER 19 HG SER 19 0.689 -1.661 -11.981
156 H ILE 20 H ILE 20 1.913 2.452 -14.602
157 HA ILE 20 HA ILE 20 3.522 3.538 -12.406
158 HB ILE 20 HB ILE 20 3.146 5.758 -13.532
159 1HG1 ILE 20 2HG1 ILE 20 2.145 4.016 -15.799
160 2HG1 ILE 20 1HG1 ILE 20 1.149 5.103 -14.840
161 1HG2 ILE 20 1HG2 ILE 20 4.575 3.600 -15.078
162 2HG2 ILE 20 2HG2 ILE 20 5.237 4.578 -13.767
163 3HG2 ILE 20 3HG2 ILE 20 4.812 5.335 -15.302
164 1HD1 ILE 20 1HD1 ILE 20 2.420 7.008 -15.670
165 2HD1 ILE 20 2HD1 ILE 20 1.716 6.075 -16.991
166 3HD1 ILE 20 3HD1 ILE 20 3.433 5.918 -16.617
167 H MET 21 H MET 21 2.595 4.426 -10.685
168 HA MET 21 HA MET 21 -0.288 4.980 -10.809
169 1HB MET 21 2HB MET 21 1.228 3.341 -8.825
170 2HB MET 21 1HB MET 21 -0.166 4.264 -8.277
171 1HG MET 21 2HG MET 21 -0.221 2.277 -10.532
172 2HG MET 21 1HG MET 21 -0.685 1.921 -8.869
173 1HE MET 21 1HE MET 21 -2.202 4.554 -7.948
174 2HE MET 21 2HE MET 21 -2.762 2.907 -7.661
175 3HE MET 21 3HE MET 21 -3.857 4.100 -8.359
176 H THR 22 H THR 22 -1.041 6.390 -9.080
177 HA THR 22 HA THR 22 0.789 8.095 -7.723
178 HB THR 22 HB THR 22 1.082 9.006 -9.969
179 HG1 THR 22 HG1 THR 22 1.156 10.546 -8.359
180 1HG2 THR 22 1HG2 THR 22 -1.025 8.318 -10.978
181 2HG2 THR 22 2HG2 THR 22 -0.785 10.054 -11.180
182 3HG2 THR 22 3HG2 THR 22 -1.901 9.454 -9.953
183 H ARG 23 H ARG 23 -0.657 10.171 -7.035
184 HA ARG 23 HA ARG 23 -2.630 8.996 -5.356
185 1HB ARG 23 2HB ARG 23 -1.277 10.877 -4.607
186 2HB ARG 23 1HB ARG 23 -1.954 11.900 -5.862
187 1HG ARG 23 2HG ARG 23 -2.909 12.375 -3.667
188 2HG ARG 23 1HG ARG 23 -4.128 11.809 -4.810
189 1HD ARG 23 2HD ARG 23 -4.084 9.606 -3.824
190 2HD ARG 23 1HD ARG 23 -2.770 10.081 -2.748
191 HE ARG 23 HE ARG 23 -4.383 11.683 -1.740
192 1HH1 ARG 23 1HH1 ARG 23 -5.616 8.973 -3.571
193 2HH1 ARG 23 2HH1 ARG 23 -7.060 8.811 -2.628
194 1HH2 ARG 23 1HH2 ARG 23 -6.294 11.501 -0.490
195 2HH2 ARG 23 2HH2 ARG 23 -7.459 10.273 -0.881
196 H ALA 24 H ALA 24 -2.769 10.363 -8.487
197 HA ALA 24 HA ALA 24 -5.397 11.291 -8.594
198 1HB ALA 24 1HB ALA 24 -5.249 10.967 -11.003
199 2HB ALA 24 2HB ALA 24 -3.817 9.959 -10.789
200 3HB ALA 24 3HB ALA 24 -3.761 11.671 -10.368
201 H ASP 25 H ASP 25 -4.165 8.024 -9.390
202 HA ASP 25 HA ASP 25 -6.910 7.058 -9.557
203 1HB ASP 25 2HB ASP 25 -5.121 6.366 -11.222
204 2HB ASP 25 1HB ASP 25 -4.394 5.422 -9.924
205 H LEU 26 H LEU 26 -4.377 7.264 -7.312
206 HA LEU 26 HA LEU 26 -4.927 5.116 -5.594
207 1HB LEU 26 2HB LEU 26 -3.077 6.983 -5.535
208 2HB LEU 26 1HB LEU 26 -4.248 7.867 -4.585
209 HG LEU 26 HG LEU 26 -2.544 6.713 -3.216
210 1HD1 LEU 26 1HD1 LEU 26 -4.708 7.203 -2.234
211 2HD1 LEU 26 2HD1 LEU 26 -4.064 5.684 -1.612
212 3HD1 LEU 26 3HD1 LEU 26 -5.339 5.666 -2.831
213 1HD2 LEU 26 1HD2 LEU 26 -3.811 4.197 -4.280
214 2HD2 LEU 26 2HD2 LEU 26 -2.603 4.284 -2.996
215 3HD2 LEU 26 3HD2 LEU 26 -2.183 4.775 -4.636
216 HA PRO 27 HA PRO 27 -9.240 5.521 -4.801
217 1HB PRO 27 2HB PRO 27 -8.145 4.865 -2.077
218 2HB PRO 27 1HB PRO 27 -9.628 4.279 -2.847
219 1HG PRO 27 2HG PRO 27 -7.463 2.774 -2.928
220 2HG PRO 27 1HG PRO 27 -8.458 2.956 -4.378
221 1HD PRO 27 2HD PRO 27 -5.791 4.095 -3.772
222 2HD PRO 27 1HD PRO 27 -6.520 3.694 -5.339
223 HA PRO 28 HA PRO 28 -9.177 9.805 -3.305
224 1HB PRO 28 2HB PRO 28 -11.765 9.896 -4.677
225 2HB PRO 28 1HB PRO 28 -10.304 10.828 -4.993
226 1HG PRO 28 2HG PRO 28 -11.165 8.932 -6.692
227 2HG PRO 28 1HG PRO 28 -9.437 9.234 -6.425
228 1HD PRO 28 2HD PRO 28 -11.181 7.086 -5.260
229 2HD PRO 28 1HD PRO 28 -9.546 6.957 -5.947
230 H ALA 29 H ALA 29 -9.781 8.082 -1.340
231 HA ALA 29 HA ALA 29 -10.870 8.008 0.650
232 1HB ALA 29 1HB ALA 29 -12.480 10.348 -0.366
233 2HB ALA 29 2HB ALA 29 -10.953 10.456 0.512
234 3HB ALA 29 3HB ALA 29 -12.381 9.790 1.304
235 H ASN 30 H ASN 30 -13.539 9.019 -1.522
236 HA ASN 30 HA ASN 30 -15.266 7.005 -0.450
237 1HB ASN 30 2HB ASN 30 -16.860 7.689 -2.241
238 2HB ASN 30 1HB ASN 30 -16.287 9.041 -1.270
239 1HD2 ASN 30 1HD2 ASN 30 -15.024 10.609 -2.202
240 2HD2 ASN 30 2HD2 ASN 30 -14.798 10.723 -3.918
241 H THR 31 H THR 31 -13.682 7.419 -3.604
242 HA THR 31 HA THR 31 -12.801 5.924 -5.059
243 HB THR 31 HB THR 31 -13.114 3.835 -2.908
244 HG1 THR 31 HG1 THR 31 -11.951 5.345 -1.874
245 1HG2 THR 31 1HG2 THR 31 -12.458 3.008 -5.124
246 2HG2 THR 31 2HG2 THR 31 -11.136 2.856 -3.966
247 3HG2 THR 31 3HG2 THR 31 -11.119 4.156 -5.155
248 H ARG 32 H ARG 32 -14.348 5.794 -6.620
249 HA ARG 32 HA ARG 32 -16.744 4.290 -6.380
250 1HB ARG 32 2HB ARG 32 -16.230 6.185 -8.030
251 2HB ARG 32 1HB ARG 32 -15.362 4.980 -8.972
252 1HG ARG 32 2HG ARG 32 -17.567 3.645 -8.862
253 2HG ARG 32 1HG ARG 32 -18.289 5.191 -8.415
254 1HD ARG 32 2HD ARG 32 -16.920 4.413 -10.964
255 2HD ARG 32 1HD ARG 32 -18.533 5.082 -10.737
256 HE ARG 32 HE ARG 32 -16.075 6.662 -10.277
257 1HH1 ARG 32 1HH1 ARG 32 -19.340 6.369 -11.533
258 2HH1 ARG 32 2HH1 ARG 32 -19.300 7.912 -12.328
259 1HH2 ARG 32 1HH2 ARG 32 -16.029 8.685 -11.309
260 2HH2 ARG 32 2HH2 ARG 32 -17.423 9.246 -12.183
261 H ARG 33 H ARG 33 -16.706 2.157 -6.080
262 HA ARG 33 HA ARG 33 -16.437 -0.054 -6.484
263 1HB ARG 33 2HB ARG 33 -15.259 1.029 -9.010
264 2HB ARG 33 1HB ARG 33 -15.074 -0.676 -8.628
265 1HG ARG 33 2HG ARG 33 -17.710 0.762 -8.789
266 2HG ARG 33 1HG ARG 33 -16.999 -0.195 -10.092
267 1HD ARG 33 2HD ARG 33 -16.977 -2.155 -8.583
268 2HD ARG 33 1HD ARG 33 -17.778 -1.182 -7.353
269 HE ARG 33 HE ARG 33 -19.266 -1.124 -9.758
270 1HH1 ARG 33 1HH1 ARG 33 -18.452 -3.247 -7.081
271 2HH1 ARG 33 2HH1 ARG 33 -19.941 -4.150 -7.186
272 1HH2 ARG 33 1HH2 ARG 33 -21.203 -2.315 -9.904
273 2HH2 ARG 33 2HH2 ARG 33 -21.506 -3.620 -8.796
274 H TRP 34 H TRP 34 -15.241 -0.616 -4.755
275 HA TRP 34 HA TRP 34 -12.346 -0.486 -4.860
276 1HB TRP 34 2HB TRP 34 -14.272 -1.724 -2.895
277 2HB TRP 34 1HB TRP 34 -12.532 -1.959 -2.783
278 HD1 TRP 34 HD1 TRP 34 -15.261 0.552 -2.035
279 HE1 TRP 34 HE1 TRP 34 -14.244 2.535 -0.744
280 HE3 TRP 34 HE3 TRP 34 -10.295 -0.561 -2.629
281 HZ2 TRP 34 HZ2 TRP 34 -11.667 3.491 -0.064
282 HZ3 TRP 34 HZ3 TRP 34 -8.625 0.937 -1.619
283 HH2 TRP 34 HH2 TRP 34 -9.295 2.920 -0.369
284 H VAL 35 H VAL 35 -11.545 -1.736 -6.455
285 HA VAL 35 HA VAL 35 -12.463 -4.506 -6.654
286 HB VAL 35 HB VAL 35 -11.088 -4.616 -8.719
287 1HG1 VAL 35 1HG1 VAL 35 -12.546 -3.208 -10.090
288 2HG1 VAL 35 2HG1 VAL 35 -13.062 -2.334 -8.648
289 3HG1 VAL 35 3HG1 VAL 35 -13.465 -4.040 -8.834
290 1HG2 VAL 35 1HG2 VAL 35 -10.218 -2.518 -9.681
291 2HG2 VAL 35 2HG2 VAL 35 -9.405 -2.955 -8.180
292 3HG2 VAL 35 3HG2 VAL 35 -10.624 -1.682 -8.181
293 H ALA 36 H ALA 36 -10.750 -6.186 -6.940
294 HA ALA 36 HA ALA 36 -9.087 -6.297 -4.703
295 1HB ALA 36 1HB ALA 36 -9.873 -8.284 -5.869
296 2HB ALA 36 2HB ALA 36 -8.116 -8.295 -5.726
297 3HB ALA 36 3HB ALA 36 -8.872 -7.876 -7.263
298 H SER 37 H SER 37 -8.400 -5.350 -8.021
299 HA SER 37 HA SER 37 -5.619 -5.121 -7.846
300 1HB SER 37 2HB SER 37 -7.505 -3.413 -9.492
301 2HB SER 37 1HB SER 37 -5.789 -3.680 -9.806
302 HG SER 37 HG SER 37 -6.389 -5.359 -10.904
303 H ARG 38 H ARG 38 -8.184 -2.885 -6.875
304 HA ARG 38 HA ARG 38 -6.331 -0.745 -6.391
305 1HB ARG 38 2HB ARG 38 -9.258 -1.070 -6.188
306 2HB ARG 38 1HB ARG 38 -8.531 0.102 -5.090
307 1HG ARG 38 2HG ARG 38 -7.411 1.149 -7.036
308 2HG ARG 38 1HG ARG 38 -8.293 0.046 -8.088
309 1HD ARG 38 2HD ARG 38 -10.395 0.998 -7.399
310 2HD ARG 38 1HD ARG 38 -9.581 2.013 -6.204
311 HE ARG 38 HE ARG 38 -8.419 3.038 -8.196
312 1HH1 ARG 38 1HH1 ARG 38 -11.643 1.686 -8.398
313 2HH1 ARG 38 2HH1 ARG 38 -12.063 2.584 -9.823
314 1HH2 ARG 38 1HH2 ARG 38 -8.962 4.242 -10.050
315 2HH2 ARG 38 2HH2 ARG 38 -10.558 4.073 -10.736
316 H LYS 39 H LYS 39 -7.789 -3.283 -4.453
317 HA LYS 39 HA LYS 39 -7.000 -2.460 -1.913
318 1HB LYS 39 2HB LYS 39 -6.769 -5.233 -3.105
319 2HB LYS 39 1HB LYS 39 -6.677 -4.862 -1.390
320 1HG LYS 39 2HG LYS 39 -9.006 -3.998 -1.527
321 2HG LYS 39 1HG LYS 39 -9.069 -4.585 -3.194
322 1HD LYS 39 2HD LYS 39 -8.630 -6.848 -2.440
323 2HD LYS 39 1HD LYS 39 -8.460 -6.290 -0.777
324 1HE LYS 39 2HE LYS 39 -10.842 -5.475 -0.933
325 2HE LYS 39 1HE LYS 39 -10.947 -6.332 -2.471
326 1HZ LYS 39 1HZ LYS 39 -10.372 -7.533 0.187
327 2HZ LYS 39 2HZ LYS 39 -10.334 -8.386 -1.277
328 3HZ LYS 39 3HZ LYS 39 -11.794 -7.724 -0.720
329 H ILE 40 H ILE 40 -5.194 -4.324 -4.296
330 HA ILE 40 HA ILE 40 -2.702 -4.330 -3.002
331 HB ILE 40 HB ILE 40 -3.224 -4.484 -5.978
332 1HG1 ILE 40 2HG1 ILE 40 -3.160 -6.732 -3.955
333 2HG1 ILE 40 1HG1 ILE 40 -4.625 -6.074 -4.676
334 1HG2 ILE 40 1HG2 ILE 40 -0.961 -5.551 -4.296
335 2HG2 ILE 40 2HG2 ILE 40 -0.876 -4.194 -5.420
336 3HG2 ILE 40 3HG2 ILE 40 -1.172 -5.824 -6.024
337 1HD1 ILE 40 1HD1 ILE 40 -3.943 -8.151 -5.745
338 2HD1 ILE 40 2HD1 ILE 40 -2.388 -7.429 -6.164
339 3HD1 ILE 40 3HD1 ILE 40 -3.874 -6.797 -6.872
340 H ALA 41 H ALA 41 -4.217 -2.084 -5.243
341 HA ALA 41 HA ALA 41 -1.934 -0.552 -5.851
342 1HB ALA 41 1HB ALA 41 -3.974 -0.506 -7.198
343 2HB ALA 41 2HB ALA 41 -3.478 1.112 -6.700
344 3HB ALA 41 3HB ALA 41 -4.819 0.310 -5.883
345 H VAL 42 H VAL 42 -4.248 -0.365 -3.180
346 HA VAL 42 HA VAL 42 -3.358 2.194 -2.292
347 HB VAL 42 HB VAL 42 -4.672 0.076 -0.572
348 1HG1 VAL 42 1HG1 VAL 42 -4.545 3.077 -0.298
349 2HG1 VAL 42 2HG1 VAL 42 -3.611 1.922 0.655
350 3HG1 VAL 42 3HG1 VAL 42 -5.370 1.966 0.794
351 1HG2 VAL 42 1HG2 VAL 42 -5.915 2.252 -2.239
352 2HG2 VAL 42 2HG2 VAL 42 -6.774 1.247 -1.072
353 3HG2 VAL 42 3HG2 VAL 42 -6.061 0.516 -2.510
354 H VAL 43 H VAL 43 -2.717 -1.104 -1.034
355 HA VAL 43 HA VAL 43 -0.885 -0.276 0.916
356 HB VAL 43 HB VAL 43 0.097 -2.714 0.495
357 1HG1 VAL 43 1HG1 VAL 43 -2.596 -2.111 1.709
358 2HG1 VAL 43 2HG1 VAL 43 -1.027 -1.953 2.503
359 3HG1 VAL 43 3HG1 VAL 43 -1.624 -3.546 2.032
360 1HG2 VAL 43 1HG2 VAL 43 -2.623 -2.774 -0.809
361 2HG2 VAL 43 2HG2 VAL 43 -1.747 -4.203 -0.261
362 3HG2 VAL 43 3HG2 VAL 43 -1.077 -3.196 -1.547
363 H ARG 44 H ARG 44 -0.278 -1.251 -2.455
364 HA ARG 44 HA ARG 44 2.553 -0.924 -2.181
365 1HB ARG 44 2HB ARG 44 0.831 -1.064 -4.656
366 2HB ARG 44 1HB ARG 44 2.588 -1.049 -4.664
367 1HG ARG 44 2HG ARG 44 2.530 -3.125 -3.277
368 2HG ARG 44 1HG ARG 44 0.785 -3.169 -3.531
369 1HD ARG 44 2HD ARG 44 2.931 -3.305 -5.643
370 2HD ARG 44 1HD ARG 44 1.863 -4.612 -5.135
371 HE ARG 44 HE ARG 44 0.332 -2.418 -6.030
372 1HH1 ARG 44 1HH1 ARG 44 2.385 -4.987 -7.254
373 2HH1 ARG 44 2HH1 ARG 44 1.625 -5.010 -8.819
374 1HH2 ARG 44 1HH2 ARG 44 -0.655 -2.466 -8.105
375 2HH2 ARG 44 2HH2 ARG 44 -0.072 -3.582 -9.300
376 H GLY 45 H GLY 45 -0.111 1.127 -3.173
377 1HA GLY 45 2HA GLY 45 1.432 3.188 -4.337
378 2HA GLY 45 1HA GLY 45 -0.221 3.336 -3.762
379 H VAL 46 H VAL 46 0.472 2.569 -1.002
380 HA VAL 46 HA VAL 46 1.537 5.168 -0.235
381 HB VAL 46 HB VAL 46 0.831 4.592 2.076
382 1HG1 VAL 46 1HG1 VAL 46 -1.570 4.798 1.648
383 2HG1 VAL 46 2HG1 VAL 46 -1.304 4.360 -0.040
384 3HG1 VAL 46 3HG1 VAL 46 -0.628 5.859 0.599
385 1HG2 VAL 46 1HG2 VAL 46 -0.355 2.135 0.787
386 2HG2 VAL 46 2HG2 VAL 46 -0.646 2.672 2.441
387 3HG2 VAL 46 3HG2 VAL 46 0.970 2.158 1.952
388 H ILE 47 H ILE 47 2.184 1.752 0.587
389 HA ILE 47 HA ILE 47 4.340 2.294 2.314
390 HB ILE 47 HB ILE 47 3.662 -0.220 0.778
391 1HG1 ILE 47 2HG1 ILE 47 3.130 0.553 3.657
392 2HG1 ILE 47 1HG1 ILE 47 1.929 0.558 2.367
393 1HG2 ILE 47 1HG2 ILE 47 5.071 -1.406 2.377
394 2HG2 ILE 47 2HG2 ILE 47 5.548 0.130 3.102
395 3HG2 ILE 47 3HG2 ILE 47 6.005 -0.240 1.439
396 1HD1 ILE 47 1HD1 ILE 47 1.712 -1.421 3.739
397 2HD1 ILE 47 2HD1 ILE 47 3.393 -1.852 3.425
398 3HD1 ILE 47 3HD1 ILE 47 2.220 -1.863 2.108
399 H TYR 48 H TYR 48 4.267 1.412 -1.117
400 HA TYR 48 HA TYR 48 7.177 1.672 -1.257
401 1HB TYR 48 2HB TYR 48 6.086 -0.315 -2.268
402 2HB TYR 48 1HB TYR 48 5.182 0.746 -3.341
403 HD1 TYR 48 HD1 TYR 48 6.036 1.256 -5.437
404 HD2 TYR 48 HD2 TYR 48 8.683 -0.174 -2.431
405 HE1 TYR 48 HE1 TYR 48 7.843 1.130 -7.098
406 HE2 TYR 48 HE2 TYR 48 10.498 -0.301 -4.086
407 HH TYR 48 HH TYR 48 10.360 1.180 -7.090
408 H GLY 49 H GLY 49 4.380 3.472 -1.752
409 1HA GLY 49 2HA GLY 49 5.529 4.994 -3.971
410 2HA GLY 49 1HA GLY 49 3.837 4.975 -3.526
411 H LEU 50 H LEU 50 3.468 5.900 -1.184
412 HA LEU 50 HA LEU 50 4.536 8.600 -1.595
413 1HB LEU 50 2HB LEU 50 1.974 7.754 -0.252
414 2HB LEU 50 1HB LEU 50 2.468 9.404 -0.592
415 HG LEU 50 HG LEU 50 1.835 7.294 -2.664
416 1HD1 LEU 50 1HD1 LEU 50 0.310 9.748 -1.805
417 2HD1 LEU 50 2HD1 LEU 50 -0.151 8.074 -1.499
418 3HD1 LEU 50 3HD1 LEU 50 -0.114 8.689 -3.150
419 1HD2 LEU 50 1HD2 LEU 50 2.537 10.209 -2.982
420 2HD2 LEU 50 2HD2 LEU 50 2.014 9.127 -4.272
421 3HD2 LEU 50 3HD2 LEU 50 3.546 8.838 -3.446
422 H ILE 51 H ILE 51 3.052 7.008 1.261
423 HA ILE 51 HA ILE 51 5.124 8.323 2.878
424 HB ILE 51 HB ILE 51 3.558 9.171 4.464
425 1HG1 ILE 51 2HG1 ILE 51 1.883 7.327 4.306
426 2HG1 ILE 51 1HG1 ILE 51 1.158 8.927 4.328
427 1HG2 ILE 51 1HG2 ILE 51 2.320 10.814 3.131
428 2HG2 ILE 51 2HG2 ILE 51 2.659 9.871 1.678
429 3HG2 ILE 51 3HG2 ILE 51 3.983 10.611 2.577
430 1HD1 ILE 51 1HD1 ILE 51 0.803 8.807 1.925
431 2HD1 ILE 51 2HD1 ILE 51 0.041 7.453 2.761
432 3HD1 ILE 51 3HD1 ILE 51 1.555 7.213 1.891
433 H THR 52 H THR 52 4.836 7.660 5.277
434 HA THR 52 HA THR 52 5.169 4.839 5.398
435 HB THR 52 HB THR 52 5.372 5.203 7.857
436 HG1 THR 52 HG1 THR 52 5.074 7.980 7.255
437 1HG2 THR 52 1HG2 THR 52 7.415 6.562 7.759
438 2HG2 THR 52 2HG2 THR 52 6.964 7.119 6.148
439 3HG2 THR 52 3HG2 THR 52 7.341 5.417 6.418
440 H LEU 53 H LEU 53 4.016 3.473 7.018
441 HA LEU 53 HA LEU 53 1.250 3.402 6.472
442 1HB LEU 53 2HB LEU 53 2.459 1.371 6.953
443 2HB LEU 53 1HB LEU 53 2.909 1.962 8.539
444 HG LEU 53 HG LEU 53 0.574 1.844 9.264
445 1HD1 LEU 53 1HD1 LEU 53 -0.537 2.271 7.157
446 2HD1 LEU 53 2HD1 LEU 53 -1.100 0.749 7.851
447 3HD1 LEU 53 3HD1 LEU 53 0.049 0.735 6.512
448 1HD2 LEU 53 1HD2 LEU 53 0.368 -0.581 9.307
449 2HD2 LEU 53 2HD2 LEU 53 2.036 -0.080 9.584
450 3HD2 LEU 53 3HD2 LEU 53 1.557 -0.712 8.010
451 H ALA 54 H ALA 54 3.064 5.088 8.850
452 HA ALA 54 HA ALA 54 1.194 5.321 10.918
453 1HB ALA 54 1HB ALA 54 3.525 6.065 11.114
454 2HB ALA 54 2HB ALA 54 2.393 7.338 11.572
455 3HB ALA 54 3HB ALA 54 3.191 7.391 10.001
456 H GLU 55 H GLU 55 1.722 7.423 8.086
457 HA GLU 55 HA GLU 55 -0.639 8.967 8.707
458 1HB GLU 55 2HB GLU 55 1.415 9.957 7.662
459 2HB GLU 55 1HB GLU 55 1.054 9.047 6.202
460 1HG GLU 55 2HG GLU 55 -1.072 10.217 5.988
461 2HG GLU 55 1HG GLU 55 -0.722 11.126 7.457
462 H ALA 56 H ALA 56 0.316 6.411 6.495
463 HA ALA 56 HA ALA 56 -2.011 6.417 4.882
464 1HB ALA 56 1HB ALA 56 -0.195 4.094 5.538
465 2HB ALA 56 2HB ALA 56 0.073 5.270 4.253
466 3HB ALA 56 3HB ALA 56 -1.323 4.195 4.185
467 H LYS 57 H LYS 57 -1.413 5.264 8.083
468 HA LYS 57 HA LYS 57 -3.814 3.663 8.194
469 1HB LYS 57 2HB LYS 57 -1.907 3.124 9.627
470 2HB LYS 57 1HB LYS 57 -1.989 4.712 10.371
471 1HG LYS 57 2HG LYS 57 -4.224 4.130 11.253
472 2HG LYS 57 1HG LYS 57 -4.020 2.505 10.599
473 1HD LYS 57 2HD LYS 57 -2.122 3.793 12.558
474 2HD LYS 57 1HD LYS 57 -3.443 2.721 13.025
475 1HE LYS 57 2HE LYS 57 -1.305 1.919 11.065
476 2HE LYS 57 1HE LYS 57 -1.140 1.668 12.802
477 1HZ LYS 57 1HZ LYS 57 -2.005 -0.279 11.561
478 2HZ LYS 57 2HZ LYS 57 -3.399 0.610 11.195
479 3HZ LYS 57 3HZ LYS 57 -3.028 0.246 12.805
480 H GLN 58 H GLN 58 -2.756 6.849 9.335
481 HA GLN 58 HA GLN 58 -5.129 7.587 10.629
482 1HB GLN 58 2HB GLN 58 -2.970 9.238 9.329
483 2HB GLN 58 1HB GLN 58 -4.298 9.944 10.238
484 1HG GLN 58 2HG GLN 58 -3.595 8.839 12.243
485 2HG GLN 58 1HG GLN 58 -2.366 7.934 11.360
486 1HE2 GLN 58 1HE2 GLN 58 -0.473 8.942 10.763
487 2HE2 GLN 58 2HE2 GLN 58 -0.007 10.491 11.373
488 H THR 59 H THR 59 -4.105 8.078 7.261
489 HA THR 59 HA THR 59 -6.669 9.350 6.672
490 HB THR 59 HB THR 59 -4.366 8.901 4.766
491 HG1 THR 59 HG1 THR 59 -4.929 11.158 6.440
492 1HG2 THR 59 1HG2 THR 59 -6.653 10.880 4.733
493 2HG2 THR 59 2HG2 THR 59 -6.539 9.429 3.734
494 3HG2 THR 59 3HG2 THR 59 -5.378 10.740 3.522
495 H TYR 60 H TYR 60 -4.723 6.583 5.480
496 HA TYR 60 HA TYR 60 -7.059 5.748 3.917
497 1HB TYR 60 2HB TYR 60 -4.236 4.778 3.534
498 2HB TYR 60 1HB TYR 60 -5.590 4.612 2.426
499 HD1 TYR 60 HD1 TYR 60 -6.587 6.793 1.458
500 HD2 TYR 60 HD2 TYR 60 -2.765 6.577 3.312
501 HE1 TYR 60 HE1 TYR 60 -5.931 8.888 0.347
502 HE2 TYR 60 HE2 TYR 60 -2.099 8.668 2.206
503 HH TYR 60 HH TYR 60 -4.281 10.754 0.759
504 H GLY 61 H GLY 61 -6.290 5.165 6.842
505 1HA GLY 61 2HA GLY 61 -5.550 2.421 6.951
506 2HA GLY 61 1HA GLY 61 -6.130 3.396 8.290
507 H LEU 62 H LEU 62 -8.529 3.968 6.431
508 HA LEU 62 HA LEU 62 -10.727 3.351 6.695
509 1HB LEU 62 2HB LEU 62 -10.710 0.856 5.432
510 2HB LEU 62 1HB LEU 62 -11.021 2.421 4.714
511 HG LEU 62 HG LEU 62 -8.378 2.484 4.534
512 1HD1 LEU 62 1HD1 LEU 62 -8.022 0.364 5.700
513 2HD1 LEU 62 2HD1 LEU 62 -7.441 0.302 4.035
514 3HD1 LEU 62 3HD1 LEU 62 -8.969 -0.470 4.464
515 1HD2 LEU 62 1HD2 LEU 62 -8.575 1.546 2.278
516 2HD2 LEU 62 2HD2 LEU 62 -9.886 2.663 2.656
517 3HD2 LEU 62 3HD2 LEU 62 -10.171 0.922 2.690
518 H SER 63 H SER 63 -10.155 -0.047 6.586
519 HA SER 63 HA SER 63 -10.704 -0.224 9.470
520 1HB SER 63 2HB SER 63 -12.446 -1.299 8.126
521 2HB SER 63 1HB SER 63 -11.233 -2.250 7.272
522 HG SER 63 HG SER 63 -12.061 -2.437 9.974
523 H ASP 64 H ASP 64 -9.156 -1.091 10.740
524 HA ASP 64 HA ASP 64 -6.541 -1.440 9.828
525 1HB ASP 64 2HB ASP 64 -7.299 -1.045 12.219
526 2HB ASP 64 1HB ASP 64 -7.686 -2.760 12.299
527 H GLU 65 H GLU 65 -9.065 -3.830 10.468
528 HA GLU 65 HA GLU 65 -7.543 -6.135 9.887
529 1HB GLU 65 2HB GLU 65 -10.521 -5.680 9.633
530 2HB GLU 65 1HB GLU 65 -9.732 -7.250 9.598
531 1HG GLU 65 2HG GLU 65 -9.751 -5.335 11.919
532 2HG GLU 65 1HG GLU 65 -10.731 -6.792 11.765
533 H GLU 66 H GLU 66 -9.342 -3.893 7.904
534 HA GLU 66 HA GLU 66 -9.396 -5.439 5.534
535 1HB GLU 66 2HB GLU 66 -10.893 -3.508 5.895
536 2HB GLU 66 1HB GLU 66 -9.503 -2.434 5.861
537 1HG GLU 66 2HG GLU 66 -9.124 -2.808 3.584
538 2HG GLU 66 1HG GLU 66 -10.180 -4.217 3.557
539 H PHE 67 H PHE 67 -7.271 -2.787 6.582
540 HA PHE 67 HA PHE 67 -5.612 -2.742 4.336
541 1HB PHE 67 2HB PHE 67 -5.747 -1.081 6.302
542 2HB PHE 67 1HB PHE 67 -4.638 -2.166 7.132
543 HD1 PHE 67 HD1 PHE 67 -5.008 0.380 4.603
544 HD2 PHE 67 HD2 PHE 67 -2.350 -2.528 6.222
545 HE1 PHE 67 HE1 PHE 67 -3.117 1.497 3.491
546 HE2 PHE 67 HE2 PHE 67 -0.457 -1.412 5.117
547 HZ PHE 67 HZ PHE 67 -0.834 0.601 3.751
548 H ASN 68 H ASN 68 -5.485 -4.674 7.287
549 HA ASN 68 HA ASN 68 -2.983 -5.896 6.822
550 1HB ASN 68 2HB ASN 68 -5.358 -6.957 8.368
551 2HB ASN 68 1HB ASN 68 -3.736 -7.635 8.414
552 1HD2 ASN 68 1HD2 ASN 68 -5.293 -6.626 10.588
553 2HD2 ASN 68 2HD2 ASN 68 -4.421 -5.301 11.278
554 H SER 69 H SER 69 -6.280 -6.833 5.903
555 HA SER 69 HA SER 69 -5.611 -9.414 4.997
556 1HB SER 69 2HB SER 69 -7.795 -9.430 3.899
557 2HB SER 69 1HB SER 69 -7.918 -8.778 5.531
558 HG SER 69 HG SER 69 -7.598 -6.652 4.249
559 H TRP 70 H TRP 70 -5.306 -6.295 3.496
560 HA TRP 70 HA TRP 70 -5.079 -7.241 0.818
561 1HB TRP 70 2HB TRP 70 -3.982 -4.714 2.077
562 2HB TRP 70 1HB TRP 70 -4.088 -5.032 0.349
563 HD1 TRP 70 HD1 TRP 70 -7.204 -6.384 1.179
564 HE1 TRP 70 HE1 TRP 70 -9.118 -4.652 1.166
565 HE3 TRP 70 HE3 TRP 70 -4.417 -2.108 1.431
566 HZ2 TRP 70 HZ2 TRP 70 -9.392 -1.847 1.250
567 HZ3 TRP 70 HZ3 TRP 70 -5.582 0.057 1.456
568 HH2 TRP 70 HH2 TRP 70 -8.017 0.183 1.365
569 H VAL 71 H VAL 71 -2.761 -6.469 3.376
570 HA VAL 71 HA VAL 71 -0.442 -7.008 1.842
571 HB VAL 71 HB VAL 71 -0.727 -7.120 4.841
572 1HG1 VAL 71 1HG1 VAL 71 1.334 -8.129 4.022
573 2HG1 VAL 71 2HG1 VAL 71 1.662 -6.624 4.879
574 3HG1 VAL 71 3HG1 VAL 71 1.700 -6.661 3.115
575 1HG2 VAL 71 1HG2 VAL 71 -1.529 -4.989 4.007
576 2HG2 VAL 71 2HG2 VAL 71 -0.054 -4.782 3.065
577 3HG2 VAL 71 3HG2 VAL 71 0.018 -4.783 4.828
578 H SER 72 H SER 72 -2.402 -8.976 4.050
579 HA SER 72 HA SER 72 -0.662 -11.223 3.999
580 1HB SER 72 2HB SER 72 -2.580 -12.441 5.000
581 2HB SER 72 1HB SER 72 -2.242 -10.919 5.822
582 HG SER 72 HG SER 72 -4.529 -11.656 4.956
583 H ALA 73 H ALA 73 -3.216 -10.100 1.919
584 HA ALA 73 HA ALA 73 -3.537 -12.556 0.476
585 1HB ALA 73 1HB ALA 73 -4.768 -11.178 -1.152
586 2HB ALA 73 2HB ALA 73 -4.264 -9.726 -0.290
587 3HB ALA 73 3HB ALA 73 -5.320 -10.897 0.499
588 H LEU 74 H LEU 74 -1.445 -9.807 0.337
589 HA LEU 74 HA LEU 74 -0.370 -10.378 -2.265
590 1HB LEU 74 2HB LEU 74 0.520 -8.554 -0.032
591 2HB LEU 74 1HB LEU 74 1.340 -8.668 -1.579
592 HG LEU 74 HG LEU 74 -1.526 -7.811 -1.205
593 1HD1 LEU 74 1HD1 LEU 74 0.935 -6.183 -1.805
594 2HD1 LEU 74 2HD1 LEU 74 0.027 -6.178 -0.293
595 3HD1 LEU 74 3HD1 LEU 74 -0.722 -5.579 -1.773
596 1HD2 LEU 74 1HD2 LEU 74 -1.399 -7.174 -3.556
597 2HD2 LEU 74 2HD2 LEU 74 -1.110 -8.902 -3.347
598 3HD2 LEU 74 3HD2 LEU 74 0.243 -7.812 -3.643
599 H ALA 75 H ALA 75 0.550 -10.886 1.083
600 HA ALA 75 HA ALA 75 3.070 -12.064 0.526
601 1HB ALA 75 1HB ALA 75 2.528 -11.073 2.703
602 2HB ALA 75 2HB ALA 75 3.043 -12.752 2.869
603 3HB ALA 75 3HB ALA 75 1.331 -12.340 2.978
604 H GLU 76 H GLU 76 -0.192 -13.248 0.777
605 HA GLU 76 HA GLU 76 -1.189 -15.194 0.204
606 1HB GLU 76 2HB GLU 76 0.446 -15.161 -1.708
607 2HB GLU 76 1HB GLU 76 1.501 -16.179 -0.741
608 1HG GLU 76 2HG GLU 76 -0.150 -17.931 -0.710
609 2HG GLU 76 1HG GLU 76 -1.300 -16.901 -1.566
610 H HIS 77 H HIS 77 2.045 -15.898 1.469
611 HA HIS 77 HA HIS 77 0.989 -17.885 3.310
612 1HB HIS 77 2HB HIS 77 3.711 -16.900 2.567
613 2HB HIS 77 1HB HIS 77 3.499 -17.657 4.140
614 HD1 HIS 77 HD1 HIS 77 4.472 -19.897 3.920
615 HD2 HIS 77 HD2 HIS 77 2.134 -18.894 0.633
616 HE1 HIS 77 HE1 HIS 77 4.448 -21.945 2.454
617 HE2 HIS 77 HE2 HIS 77 3.230 -21.222 0.366
618 H GLY 78 H GLY 78 -0.339 -16.737 4.710
619 1HA GLY 78 2HA GLY 78 0.530 -14.337 6.033
620 2HA GLY 78 1HA GLY 78 -0.902 -15.285 6.415
621 H LYS 79 H LYS 79 2.631 -15.621 6.577
622 HA LYS 79 HA LYS 79 2.605 -16.116 9.396
623 1HB LYS 79 2HB LYS 79 1.849 -18.327 8.488
624 2HB LYS 79 1HB LYS 79 3.352 -18.419 7.576
625 1HG LYS 79 2HG LYS 79 4.578 -18.283 9.753
626 2HG LYS 79 1HG LYS 79 3.021 -18.431 10.566
627 1HD LYS 79 2HD LYS 79 4.148 -20.447 8.622
628 2HD LYS 79 1HD LYS 79 4.247 -20.580 10.375
629 1HE LYS 79 2HE LYS 79 2.419 -21.909 9.832
630 2HE LYS 79 1HE LYS 79 1.687 -20.387 10.332
631 1HZ LYS 79 1HZ LYS 79 2.190 -21.163 7.503
632 2HZ LYS 79 2HZ LYS 79 1.352 -19.793 8.044
633 3HZ LYS 79 3HZ LYS 79 0.700 -21.333 8.297
634 H ASP 80 H ASP 80 4.418 -16.837 6.448
635 HA ASP 80 HA ASP 80 6.978 -16.501 7.609
636 1HB ASP 80 2HB ASP 80 6.228 -16.370 4.678
637 2HB ASP 80 1HB ASP 80 7.827 -16.692 5.339
638 H ALA 81 H ALA 81 5.725 -14.623 4.892
639 HA ALA 81 HA ALA 81 5.768 -12.429 4.347
640 1HB ALA 81 1HB ALA 81 5.365 -10.802 6.089
641 2HB ALA 81 2HB ALA 81 5.845 -11.966 7.322
642 3HB ALA 81 3HB ALA 81 4.387 -12.245 6.370
643 H LEU 82 H LEU 82 8.375 -13.917 4.945
644 HA LEU 82 HA LEU 82 10.127 -11.760 5.790
645 1HB LEU 82 2HB LEU 82 10.356 -14.217 6.469
646 2HB LEU 82 1HB LEU 82 10.936 -14.508 4.845
647 HG LEU 82 HG LEU 82 12.701 -14.285 6.634
648 1HD1 LEU 82 1HD1 LEU 82 12.856 -12.353 4.331
649 2HD1 LEU 82 2HD1 LEU 82 13.253 -14.070 4.275
650 3HD1 LEU 82 3HD1 LEU 82 14.222 -12.973 5.259
651 1HD2 LEU 82 1HD2 LEU 82 13.319 -12.030 7.329
652 2HD2 LEU 82 2HD2 LEU 82 11.701 -12.453 7.884
653 3HD2 LEU 82 3HD2 LEU 82 11.905 -11.383 6.498
654 H LYS 83 H LYS 83 9.550 -13.741 2.915
655 HA LYS 83 HA LYS 83 11.498 -12.263 1.362
656 1HB LYS 83 2HB LYS 83 11.033 -14.757 1.150
657 2HB LYS 83 1HB LYS 83 9.540 -14.320 0.339
658 1HG LYS 83 2HG LYS 83 11.287 -14.884 -1.257
659 2HG LYS 83 1HG LYS 83 10.807 -13.193 -1.415
660 1HD LYS 83 2HD LYS 83 12.760 -12.497 -0.146
661 2HD LYS 83 1HD LYS 83 13.216 -14.182 0.112
662 1HE LYS 83 2HE LYS 83 14.539 -13.141 -1.670
663 2HE LYS 83 1HE LYS 83 13.562 -14.481 -2.272
664 1HZ LYS 83 1HZ LYS 83 12.594 -11.690 -2.444
665 2HZ LYS 83 2HZ LYS 83 12.123 -13.043 -3.364
666 3HZ LYS 83 3HZ LYS 83 13.638 -12.327 -3.620
667 H VAL 84 H VAL 84 8.610 -11.384 2.399
668 HA VAL 84 HA VAL 84 7.279 -10.591 -0.004
669 HB VAL 84 HB VAL 84 6.859 -9.620 2.829
670 1HG1 VAL 84 1HG1 VAL 84 4.670 -8.848 2.045
671 2HG1 VAL 84 2HG1 VAL 84 5.084 -9.335 0.401
672 3HG1 VAL 84 3HG1 VAL 84 5.980 -8.034 1.185
673 1HG2 VAL 84 1HG2 VAL 84 4.971 -11.178 2.849
674 2HG2 VAL 84 2HG2 VAL 84 6.501 -12.016 2.590
675 3HG2 VAL 84 3HG2 VAL 84 5.413 -11.729 1.232
676 H THR 85 H THR 85 8.056 -9.124 -1.304
677 HA THR 85 HA THR 85 10.193 -7.476 -0.963
678 HB THR 85 HB THR 85 7.810 -6.887 -2.721
679 HG1 THR 85 HG1 THR 85 10.040 -8.287 -3.667
680 1HG2 THR 85 1HG2 THR 85 9.473 -5.882 -4.218
681 2HG2 THR 85 2HG2 THR 85 10.739 -6.211 -3.035
682 3HG2 THR 85 3HG2 THR 85 9.447 -5.070 -2.653
683 H ALA 86 H ALA 86 6.781 -6.472 -0.592
684 HA ALA 86 HA ALA 86 7.385 -3.759 -0.062
685 1HB ALA 86 1HB ALA 86 5.216 -4.498 -0.909
686 2HB ALA 86 2HB ALA 86 5.046 -3.552 0.567
687 3HB ALA 86 3HB ALA 86 4.890 -5.307 0.623
688 H LEU 87 H LEU 87 7.301 -6.564 1.965
689 HA LEU 87 HA LEU 87 6.836 -5.007 4.381
690 1HB LEU 87 2HB LEU 87 5.799 -7.317 3.823
691 2HB LEU 87 1HB LEU 87 7.363 -7.968 4.263
692 HG LEU 87 HG LEU 87 5.631 -8.076 6.064
693 1HD1 LEU 87 1HD1 LEU 87 7.086 -7.347 7.864
694 2HD1 LEU 87 2HD1 LEU 87 8.049 -6.401 6.727
695 3HD1 LEU 87 3HD1 LEU 87 8.016 -8.163 6.607
696 1HD2 LEU 87 1HD2 LEU 87 5.087 -6.031 7.282
697 2HD2 LEU 87 2HD2 LEU 87 4.520 -5.958 5.612
698 3HD2 LEU 87 3HD2 LEU 87 5.973 -5.082 6.090
699 H LYS 88 H LYS 88 9.271 -7.142 2.966
700 HA LYS 88 HA LYS 88 11.139 -6.943 5.048
701 1HB LYS 88 2HB LYS 88 11.203 -8.635 3.210
702 2HB LYS 88 1HB LYS 88 11.746 -7.368 2.117
703 1HG LYS 88 2HG LYS 88 13.722 -7.021 3.557
704 2HG LYS 88 1HG LYS 88 13.187 -8.367 4.564
705 1HD LYS 88 2HD LYS 88 13.312 -9.843 2.579
706 2HD LYS 88 1HD LYS 88 13.964 -8.488 1.652
707 1HE LYS 88 2HE LYS 88 15.822 -8.329 3.285
708 2HE LYS 88 1HE LYS 88 15.195 -9.765 4.094
709 1HZ LYS 88 1HZ LYS 88 15.482 -10.945 1.929
710 2HZ LYS 88 2HZ LYS 88 16.925 -10.439 2.655
711 3HZ LYS 88 3HZ LYS 88 16.291 -9.571 1.344
712 H LYS 89 H LYS 89 10.553 -4.960 2.195
713 HA LYS 89 HA LYS 89 12.879 -3.336 2.531
714 1HB LYS 89 2HB LYS 89 10.338 -2.912 0.968
715 2HB LYS 89 1HB LYS 89 11.655 -1.749 0.985
716 1HG LYS 89 2HG LYS 89 13.160 -3.452 0.062
717 2HG LYS 89 1HG LYS 89 11.818 -4.597 0.027
718 1HD LYS 89 2HD LYS 89 10.594 -3.092 -1.479
719 2HD LYS 89 1HD LYS 89 11.966 -1.985 -1.474
720 1HE LYS 89 2HE LYS 89 12.023 -4.844 -2.433
721 2HE LYS 89 1HE LYS 89 11.915 -3.424 -3.471
722 1HZ LYS 89 1HZ LYS 89 14.188 -4.193 -1.721
723 2HZ LYS 89 2HZ LYS 89 14.077 -2.704 -2.520
724 3HZ LYS 89 3HZ LYS 89 14.164 -4.143 -3.414
725 H TYR 90 H TYR 90 9.478 -2.985 3.461
726 HA TYR 90 HA TYR 90 9.666 -0.398 4.511
727 1HB TYR 90 2HB TYR 90 7.552 -1.751 4.079
728 2HB TYR 90 1HB TYR 90 7.872 -2.575 5.600
729 HD1 TYR 90 HD1 TYR 90 7.807 0.960 4.376
730 HD2 TYR 90 HD2 TYR 90 6.630 -1.811 7.383
731 HE1 TYR 90 HE1 TYR 90 6.649 2.764 5.576
732 HE2 TYR 90 HE2 TYR 90 5.468 -0.011 8.593
733 HH TYR 90 HH TYR 90 5.585 2.454 8.771
734 H ARG 91 H ARG 91 10.090 -3.562 6.070
735 HA ARG 91 HA ARG 91 10.649 -2.511 8.642
736 1HB ARG 91 2HB ARG 91 9.921 -4.754 8.569
737 2HB ARG 91 1HB ARG 91 11.113 -5.195 7.355
738 1HG ARG 91 2HG ARG 91 12.892 -5.011 8.979
739 2HG ARG 91 1HG ARG 91 11.755 -4.441 10.200
740 1HD ARG 91 2HD ARG 91 10.732 -6.534 10.388
741 2HD ARG 91 1HD ARG 91 11.379 -7.090 8.845
742 HE ARG 91 HE ARG 91 13.529 -7.328 9.883
743 1HH1 ARG 91 1HH1 ARG 91 10.861 -6.787 12.106
744 2HH1 ARG 91 2HH1 ARG 91 11.730 -7.393 13.484
745 1HH2 ARG 91 1HH2 ARG 91 14.651 -8.150 11.687
746 2HH2 ARG 91 2HH2 ARG 91 13.872 -8.202 13.242
747 H GLN 92 H GLN 92 12.779 -3.610 5.998
748 HA GLN 92 HA GLN 92 15.208 -3.297 7.383
749 1HB GLN 92 2HB GLN 92 15.058 -4.546 5.291
750 2HB GLN 92 1HB GLN 92 14.631 -3.080 4.420
751 1HG GLN 92 2HG GLN 92 16.825 -2.140 4.908
752 2HG GLN 92 1HG GLN 92 17.255 -3.593 5.806
753 1HE2 GLN 92 1HE2 GLN 92 18.990 -4.022 4.471
754 2HE2 GLN 92 2HE2 GLN 92 18.800 -4.598 2.852
755 H LEU 93 H LEU 93 13.350 -1.063 5.371
756 HA LEU 93 HA LEU 93 15.192 1.063 5.439
757 1HB LEU 93 2HB LEU 93 13.431 1.011 3.809
758 2HB LEU 93 1HB LEU 93 12.203 1.018 5.057
759 HG LEU 93 HG LEU 93 12.947 3.319 5.696
760 1HD1 LEU 93 1HD1 LEU 93 14.601 3.111 3.183
761 2HD1 LEU 93 2HD1 LEU 93 15.232 3.188 4.828
762 3HD1 LEU 93 3HD1 LEU 93 14.359 4.563 4.151
763 1HD2 LEU 93 1HD2 LEU 93 11.033 2.946 4.215
764 2HD2 LEU 93 2HD2 LEU 93 12.113 2.974 2.820
765 3HD2 LEU 93 3HD2 LEU 93 11.899 4.424 3.800
766 H LEU 94 H LEU 94 12.410 0.292 7.519
767 HA LEU 94 HA LEU 94 12.706 2.640 9.125
768 1HB LEU 94 2HB LEU 94 11.201 0.088 9.674
769 2HB LEU 94 1HB LEU 94 11.074 1.555 10.622
770 HG LEU 94 HG LEU 94 10.211 1.182 7.759
771 1HD1 LEU 94 1HD1 LEU 94 7.984 1.579 8.647
772 2HD1 LEU 94 2HD1 LEU 94 8.646 1.736 10.275
773 3HD1 LEU 94 3HD1 LEU 94 8.733 0.188 9.430
774 1HD2 LEU 94 1HD2 LEU 94 11.147 3.406 8.068
775 2HD2 LEU 94 2HD2 LEU 94 10.125 3.652 9.484
776 3HD2 LEU 94 3HD2 LEU 94 9.393 3.482 7.888
777 H GLU 95 H GLU 95 14.294 -0.379 9.078
778 HA GLU 95 HA GLU 95 14.904 -0.506 11.868
779 1HB GLU 95 2HB GLU 95 14.941 -2.460 10.239
780 2HB GLU 95 1HB GLU 95 16.470 -1.822 9.649
781 1HG GLU 95 2HG GLU 95 16.859 -3.587 11.244
782 2HG GLU 95 1HG GLU 95 17.423 -2.049 11.893
783 H HIS 96 H HIS 96 16.019 1.371 9.299
784 HA HIS 96 HA HIS 96 17.476 3.098 9.203
785 1HB HIS 96 2HB HIS 96 16.720 3.547 11.532
786 2HB HIS 96 1HB HIS 96 18.040 2.545 12.126
787 HD1 HIS 96 HD1 HIS 96 20.079 3.790 12.728
788 HD2 HIS 96 HD2 HIS 96 17.788 5.828 9.920
789 HE1 HIS 96 HE1 HIS 96 21.249 5.990 12.361
790 HE2 HIS 96 HE2 HIS 96 19.934 7.136 10.539
791 H HIS 97 H HIS 97 18.346 -0.027 9.633
792 HA HIS 97 HA HIS 97 21.212 0.360 9.681
793 1HB HIS 97 2HB HIS 97 19.938 -1.704 10.577
794 2HB HIS 97 1HB HIS 97 19.797 -2.190 8.890
795 HD1 HIS 97 HD1 HIS 97 22.268 -1.777 11.656
796 HD2 HIS 97 HD2 HIS 97 22.160 -3.154 7.732
797 HE1 HIS 97 HE1 HIS 97 24.461 -2.959 11.293
798 HE2 HIS 97 HE2 HIS 97 24.334 -3.886 8.949
799 H HIS 98 H HIS 98 21.516 1.739 7.933
800 HA HIS 98 HA HIS 98 20.416 0.879 5.345
801 1HB HIS 98 2HB HIS 98 19.843 3.135 6.561
802 2HB HIS 98 1HB HIS 98 21.392 3.656 5.904
803 HD1 HIS 98 HD1 HIS 98 17.950 3.746 5.146
804 HD2 HIS 98 HD2 HIS 98 21.392 3.070 2.904
805 HE1 HIS 98 HE1 HIS 98 17.299 4.169 2.749
806 HE2 HIS 98 HE2 HIS 98 19.342 3.552 1.405
807 H HIS 99 H HIS 99 23.294 2.295 6.856
808 HA HIS 99 HA HIS 99 25.467 2.429 6.238
809 1HB HIS 99 2HB HIS 99 24.583 0.024 4.734
810 2HB HIS 99 1HB HIS 99 26.111 0.756 4.256
811 HD1 HIS 99 HD1 HIS 99 24.854 -1.769 6.392
812 HD2 HIS 99 HD2 HIS 99 27.840 1.109 6.720
813 HE1 HIS 99 HE1 HIS 99 26.370 -2.566 8.235
814 HE2 HIS 99 HE2 HIS 99 28.309 -0.960 8.197
815 H HIS 100 H HIS 100 25.809 4.371 5.382
816 HA HIS 100 HA HIS 100 25.116 4.818 2.568
817 1HB HIS 100 2HB HIS 100 25.725 7.180 2.973
818 2HB HIS 100 1HB HIS 100 24.464 6.619 4.061
819 HD1 HIS 100 HD1 HIS 100 24.964 6.625 6.556
820 HD2 HIS 100 HD2 HIS 100 28.235 7.707 4.220
821 HE1 HIS 100 HE1 HIS 100 26.674 7.540 8.161
822 HE2 HIS 100 HE2 HIS 100 28.655 8.176 6.734
823 H HIS 101 H HIS 101 27.672 3.825 4.470
824 HA HIS 101 HA HIS 101 29.459 3.769 2.215
825 1HB HIS 101 2HB HIS 101 30.003 5.990 3.078
826 2HB HIS 101 1HB HIS 101 30.202 5.339 4.701
827 HD1 HIS 101 HD1 HIS 101 31.838 5.180 1.281
828 HD2 HIS 101 HD2 HIS 101 32.711 4.429 5.279
829 HE1 HIS 101 HE1 HIS 101 34.303 4.693 1.361
830 HE2 HIS 101 HE2 HIS 101 34.840 4.440 3.805
Start of MODEL 20
1 1H MET 1 1H MET 1 0.838 18.330 -27.580
2 2H MET 1 2H MET 1 1.837 18.040 -28.924
3 3H MET 1 3H MET 1 1.697 19.605 -28.293
4 HA MET 1 HA MET 1 3.792 18.545 -27.688
5 1HB MET 1 2HB MET 1 1.845 19.176 -25.468
6 2HB MET 1 1HB MET 1 3.554 18.887 -25.183
7 1HG MET 1 2HG MET 1 3.132 21.252 -25.263
8 2HG MET 1 1HG MET 1 4.103 20.773 -26.652
9 1HE MET 1 1HE MET 1 3.578 23.087 -27.821
10 2HE MET 1 2HE MET 1 2.590 23.575 -26.444
11 3HE MET 1 3HE MET 1 1.949 23.711 -28.081
12 H MET 2 H MET 2 1.083 16.573 -27.446
13 HA MET 2 HA MET 2 0.831 14.340 -27.171
14 1HB MET 2 2HB MET 2 3.823 14.333 -26.745
15 2HB MET 2 1HB MET 2 2.834 12.881 -26.811
16 1HG MET 2 2HG MET 2 2.199 13.392 -29.095
17 2HG MET 2 1HG MET 2 3.125 14.890 -29.029
18 1HE MET 2 1HE MET 2 5.727 14.087 -27.470
19 2HE MET 2 2HE MET 2 5.772 15.010 -28.972
20 3HE MET 2 3HE MET 2 6.804 13.593 -28.776
21 H PHE 3 H PHE 3 3.254 15.396 -24.767
22 HA PHE 3 HA PHE 3 1.431 14.414 -22.675
23 1HB PHE 3 2HB PHE 3 3.441 13.692 -21.377
24 2HB PHE 3 1HB PHE 3 3.171 12.758 -22.843
25 HD1 PHE 3 HD1 PHE 3 4.644 13.113 -24.810
26 HD2 PHE 3 HD2 PHE 3 5.407 14.968 -21.056
27 HE1 PHE 3 HE1 PHE 3 6.959 13.572 -25.507
28 HE2 PHE 3 HE2 PHE 3 7.721 15.429 -21.747
29 HZ PHE 3 HZ PHE 3 8.499 14.733 -23.978
30 H LEU 4 H LEU 4 1.206 15.691 -20.909
31 HA LEU 4 HA LEU 4 2.984 17.998 -20.607
32 1HB LEU 4 2HB LEU 4 -0.018 18.117 -20.858
33 2HB LEU 4 1HB LEU 4 0.920 19.405 -20.130
34 HG LEU 4 HG LEU 4 1.234 18.445 -22.976
35 1HD1 LEU 4 1HD1 LEU 4 0.164 20.556 -23.589
36 2HD1 LEU 4 2HD1 LEU 4 -0.100 20.918 -21.881
37 3HD1 LEU 4 3HD1 LEU 4 -0.916 19.543 -22.627
38 1HD2 LEU 4 1HD2 LEU 4 2.619 20.440 -23.247
39 2HD2 LEU 4 2HD2 LEU 4 3.291 19.367 -22.018
40 3HD2 LEU 4 3HD2 LEU 4 2.416 20.821 -21.537
41 H ARG 5 H ARG 5 0.141 16.345 -19.229
42 HA ARG 5 HA ARG 5 0.769 17.271 -16.578
43 1HB ARG 5 2HB ARG 5 -1.568 16.856 -17.456
44 2HB ARG 5 1HB ARG 5 -1.227 15.134 -17.340
45 1HG ARG 5 2HG ARG 5 -0.851 15.378 -14.932
46 2HG ARG 5 1HG ARG 5 -1.216 17.102 -15.056
47 1HD ARG 5 2HD ARG 5 -3.466 16.517 -15.910
48 2HD ARG 5 1HD ARG 5 -3.087 14.813 -15.667
49 HE ARG 5 HE ARG 5 -2.931 16.617 -13.369
50 1HH1 ARG 5 1HH1 ARG 5 -4.561 14.025 -15.060
51 2HH1 ARG 5 2HH1 ARG 5 -5.534 13.569 -13.685
52 1HH2 ARG 5 1HH2 ARG 5 -4.220 16.046 -11.563
53 2HH2 ARG 5 2HH2 ARG 5 -5.331 14.715 -11.700
54 H LYS 6 H LYS 6 2.859 16.476 -16.377
55 HA LYS 6 HA LYS 6 3.096 14.036 -14.970
56 1HB LYS 6 2HB LYS 6 3.039 13.177 -17.349
57 2HB LYS 6 1HB LYS 6 4.509 14.089 -17.651
58 1HG LYS 6 2HG LYS 6 5.694 12.772 -15.994
59 2HG LYS 6 1HG LYS 6 4.215 11.890 -15.615
60 1HD LYS 6 2HD LYS 6 4.146 11.111 -17.978
61 2HD LYS 6 1HD LYS 6 5.710 11.886 -18.237
62 1HE LYS 6 2HE LYS 6 5.159 9.729 -16.203
63 2HE LYS 6 1HE LYS 6 5.883 9.461 -17.786
64 1HZ LYS 6 1HZ LYS 6 7.780 10.717 -17.183
65 2HZ LYS 6 2HZ LYS 6 7.485 9.649 -15.897
66 3HZ LYS 6 3HZ LYS 6 7.056 11.281 -15.756
67 H VAL 7 H VAL 7 4.568 16.608 -16.825
68 HA VAL 7 HA VAL 7 6.844 16.877 -15.077
69 HB VAL 7 HB VAL 7 5.726 18.875 -17.066
70 1HG1 VAL 7 1HG1 VAL 7 8.008 19.742 -17.149
71 2HG1 VAL 7 2HG1 VAL 7 8.502 18.566 -15.931
72 3HG1 VAL 7 3HG1 VAL 7 7.350 19.836 -15.517
73 1HG2 VAL 7 1HG2 VAL 7 7.740 16.681 -17.480
74 2HG2 VAL 7 2HG2 VAL 7 7.359 17.943 -18.653
75 3HG2 VAL 7 3HG2 VAL 7 6.126 16.771 -18.183
76 H GLU 8 H GLU 8 7.111 19.046 -13.897
77 HA GLU 8 HA GLU 8 6.436 20.592 -12.369
78 1HB GLU 8 2HB GLU 8 3.624 19.927 -13.261
79 2HB GLU 8 1HB GLU 8 4.023 21.141 -12.057
80 1HG GLU 8 2HG GLU 8 5.257 22.414 -13.729
81 2HG GLU 8 1HG GLU 8 4.889 21.183 -14.940
82 H GLY 9 H GLY 9 4.852 17.479 -12.488
83 1HA GLY 9 2HA GLY 9 5.466 17.165 -9.645
84 2HA GLY 9 1HA GLY 9 3.808 16.889 -10.161
85 HA PRO 10 HA PRO 10 6.338 13.319 -12.209
86 1HB PRO 10 2HB PRO 10 9.081 13.603 -11.256
87 2HB PRO 10 1HB PRO 10 8.487 13.454 -12.910
88 1HG PRO 10 2HG PRO 10 9.548 15.742 -11.931
89 2HG PRO 10 1HG PRO 10 8.295 15.722 -13.182
90 1HD PRO 10 2HD PRO 10 8.039 16.262 -10.253
91 2HD PRO 10 1HD PRO 10 7.231 17.048 -11.627
92 H ARG 11 H ARG 11 5.259 13.649 -9.564
93 HA ARG 11 HA ARG 11 6.898 12.009 -7.808
94 1HB ARG 11 2HB ARG 11 5.688 14.012 -6.958
95 2HB ARG 11 1HB ARG 11 4.167 13.222 -7.337
96 1HG ARG 11 2HG ARG 11 4.721 13.092 -4.959
97 2HG ARG 11 1HG ARG 11 4.618 11.495 -5.701
98 1HD ARG 11 2HD ARG 11 7.006 11.311 -5.781
99 2HD ARG 11 1HD ARG 11 7.202 12.987 -5.265
100 HE ARG 11 HE ARG 11 6.019 12.171 -3.146
101 1HH1 ARG 11 1HH1 ARG 11 8.186 10.181 -5.066
102 2HH1 ARG 11 2HH1 ARG 11 8.651 9.190 -3.720
103 1HH2 ARG 11 1HH2 ARG 11 6.649 10.902 -1.395
104 2HH2 ARG 11 2HH2 ARG 11 7.785 9.603 -1.619
105 H SER 12 H SER 12 4.828 11.455 -10.276
106 HA SER 12 HA SER 12 3.336 9.235 -9.330
107 1HB SER 12 2HB SER 12 4.246 9.887 -12.147
108 2HB SER 12 1HB SER 12 2.953 8.769 -11.704
109 HG SER 12 HG SER 12 2.488 11.136 -12.285
110 H VAL 13 H VAL 13 4.260 7.473 -8.526
111 HA VAL 13 HA VAL 13 7.047 6.966 -9.036
112 HB VAL 13 HB VAL 13 6.782 5.127 -7.364
113 1HG1 VAL 13 1HG1 VAL 13 5.806 7.845 -6.487
114 2HG1 VAL 13 2HG1 VAL 13 7.490 7.361 -6.684
115 3HG1 VAL 13 3HG1 VAL 13 6.496 6.606 -5.437
116 1HG2 VAL 13 1HG2 VAL 13 3.955 6.175 -7.198
117 2HG2 VAL 13 2HG2 VAL 13 4.692 5.060 -6.044
118 3HG2 VAL 13 3HG2 VAL 13 4.456 4.567 -7.722
119 H THR 14 H THR 14 7.938 5.401 -10.192
120 HA THR 14 HA THR 14 6.177 3.550 -11.617
121 HB THR 14 HB THR 14 9.150 4.005 -11.973
122 HG1 THR 14 HG1 THR 14 7.355 5.693 -12.542
123 1HG2 THR 14 1HG2 THR 14 8.873 2.799 -14.068
124 2HG2 THR 14 2HG2 THR 14 7.152 2.590 -13.747
125 3HG2 THR 14 3HG2 THR 14 8.342 1.790 -12.721
126 H LEU 15 H LEU 15 5.688 1.880 -10.377
127 HA LEU 15 HA LEU 15 7.305 0.717 -8.388
128 1HB LEU 15 2HB LEU 15 5.092 -0.517 -10.042
129 2HB LEU 15 1HB LEU 15 5.763 -1.214 -8.580
130 HG LEU 15 HG LEU 15 4.416 1.483 -8.617
131 1HD1 LEU 15 1HD1 LEU 15 2.799 -0.159 -9.366
132 2HD1 LEU 15 2HD1 LEU 15 2.441 0.333 -7.712
133 3HD1 LEU 15 3HD1 LEU 15 3.219 -1.219 -8.020
134 1HD2 LEU 15 1HD2 LEU 15 5.917 0.999 -6.736
135 2HD2 LEU 15 2HD2 LEU 15 4.995 -0.467 -6.393
136 3HD2 LEU 15 3HD2 LEU 15 4.231 1.114 -6.229
137 HA PRO 16 HA PRO 16 10.374 -1.373 -10.884
138 1HB PRO 16 2HB PRO 16 10.463 -3.248 -8.579
139 2HB PRO 16 1HB PRO 16 11.771 -2.331 -9.332
140 1HG PRO 16 2HG PRO 16 10.803 -1.607 -6.967
141 2HG PRO 16 1HG PRO 16 11.253 -0.388 -8.175
142 1HD PRO 16 2HD PRO 16 8.532 -1.385 -7.410
143 2HD PRO 16 1HD PRO 16 9.064 0.269 -7.780
144 H ASP 17 H ASP 17 7.466 -2.665 -9.749
145 HA ASP 17 HA ASP 17 7.695 -5.275 -10.951
146 1HB ASP 17 2HB ASP 17 6.292 -5.008 -9.000
147 2HB ASP 17 1HB ASP 17 5.362 -3.739 -9.788
148 H GLY 18 H GLY 18 6.814 -2.108 -11.925
149 1HA GLY 18 2HA GLY 18 6.676 -1.557 -14.252
150 2HA GLY 18 1HA GLY 18 5.978 -3.142 -14.550
151 H SER 19 H SER 19 5.218 -0.412 -12.374
152 HA SER 19 HA SER 19 2.660 -0.036 -13.678
153 1HB SER 19 2HB SER 19 2.701 -0.703 -10.725
154 2HB SER 19 1HB SER 19 1.288 -0.436 -11.742
155 HG SER 19 HG SER 19 2.541 -2.358 -12.920
156 H ILE 20 H ILE 20 1.638 1.888 -13.123
157 HA ILE 20 HA ILE 20 3.510 3.824 -11.925
158 HB ILE 20 HB ILE 20 1.280 4.437 -13.866
159 1HG1 ILE 20 2HG1 ILE 20 2.884 2.926 -14.956
160 2HG1 ILE 20 1HG1 ILE 20 2.997 4.549 -15.626
161 1HG2 ILE 20 1HG2 ILE 20 3.713 5.979 -13.018
162 2HG2 ILE 20 2HG2 ILE 20 2.057 6.285 -12.495
163 3HG2 ILE 20 3HG2 ILE 20 2.506 6.515 -14.185
164 1HD1 ILE 20 1HD1 ILE 20 4.875 3.353 -13.596
165 2HD1 ILE 20 2HD1 ILE 20 5.001 4.962 -14.309
166 3HD1 ILE 20 3HD1 ILE 20 5.193 3.531 -15.323
167 H MET 21 H MET 21 2.897 4.607 -10.012
168 HA MET 21 HA MET 21 0.007 4.731 -9.457
169 1HB MET 21 2HB MET 21 2.257 4.063 -7.560
170 2HB MET 21 1HB MET 21 0.634 4.481 -7.025
171 1HG MET 21 2HG MET 21 1.413 2.133 -8.736
172 2HG MET 21 1HG MET 21 0.913 2.092 -7.047
173 1HE MET 21 1HE MET 21 -1.531 2.770 -6.226
174 2HE MET 21 2HE MET 21 -2.855 3.188 -7.315
175 3HE MET 21 3HE MET 21 -1.486 4.287 -7.127
176 H THR 22 H THR 22 -0.799 6.541 -8.554
177 HA THR 22 HA THR 22 0.824 8.600 -7.447
178 HB THR 22 HB THR 22 1.322 8.981 -9.820
179 HG1 THR 22 HG1 THR 22 1.125 11.108 -9.641
180 1HG2 THR 22 1HG2 THR 22 -1.649 9.377 -10.128
181 2HG2 THR 22 2HG2 THR 22 -0.685 8.077 -10.833
182 3HG2 THR 22 3HG2 THR 22 -0.437 9.743 -11.356
183 H ARG 23 H ARG 23 -0.767 10.731 -7.539
184 HA ARG 23 HA ARG 23 -2.729 9.972 -5.642
185 1HB ARG 23 2HB ARG 23 -2.506 12.639 -7.042
186 2HB ARG 23 1HB ARG 23 -3.251 12.317 -5.482
187 1HG ARG 23 2HG ARG 23 -1.061 11.702 -4.568
188 2HG ARG 23 1HG ARG 23 -0.325 12.055 -6.134
189 1HD ARG 23 2HD ARG 23 0.032 13.964 -4.782
190 2HD ARG 23 1HD ARG 23 -1.254 14.389 -5.911
191 HE ARG 23 HE ARG 23 -2.149 13.380 -3.343
192 1HH1 ARG 23 1HH1 ARG 23 -1.365 16.201 -5.275
193 2HH1 ARG 23 2HH1 ARG 23 -2.205 17.312 -4.234
194 1HH2 ARG 23 1HH2 ARG 23 -3.263 14.822 -1.983
195 2HH2 ARG 23 2HH2 ARG 23 -3.310 16.520 -2.361
196 H ALA 24 H ALA 24 -2.852 10.178 -9.044
197 HA ALA 24 HA ALA 24 -5.720 10.602 -9.169
198 1HB ALA 24 1HB ALA 24 -3.758 9.993 -11.375
199 2HB ALA 24 2HB ALA 24 -4.255 11.604 -10.856
200 3HB ALA 24 3HB ALA 24 -5.433 10.506 -11.577
201 H ASP 25 H ASP 25 -3.612 7.993 -8.784
202 HA ASP 25 HA ASP 25 -5.547 6.086 -9.912
203 1HB ASP 25 2HB ASP 25 -2.608 5.777 -9.251
204 2HB ASP 25 1HB ASP 25 -3.644 4.436 -9.728
205 H LEU 26 H LEU 26 -4.151 7.257 -7.021
206 HA LEU 26 HA LEU 26 -4.791 5.033 -5.344
207 1HB LEU 26 2HB LEU 26 -4.127 7.915 -4.766
208 2HB LEU 26 1HB LEU 26 -4.476 6.750 -3.505
209 HG LEU 26 HG LEU 26 -2.219 6.464 -5.489
210 1HD1 LEU 26 1HD1 LEU 26 -0.759 7.096 -3.629
211 2HD1 LEU 26 2HD1 LEU 26 -2.173 7.417 -2.626
212 3HD1 LEU 26 3HD1 LEU 26 -1.863 8.405 -4.053
213 1HD2 LEU 26 1HD2 LEU 26 -1.436 4.758 -3.899
214 2HD2 LEU 26 2HD2 LEU 26 -3.002 4.346 -4.596
215 3HD2 LEU 26 3HD2 LEU 26 -2.907 4.981 -2.953
216 HA PRO 27 HA PRO 27 -9.229 5.787 -4.824
217 1HB PRO 27 2HB PRO 27 -8.468 4.290 -2.341
218 2HB PRO 27 1HB PRO 27 -9.858 4.054 -3.409
219 1HG PRO 27 2HG PRO 27 -7.819 2.383 -3.573
220 2HG PRO 27 1HG PRO 27 -8.561 3.002 -5.059
221 1HD PRO 27 2HD PRO 27 -6.005 3.835 -3.735
222 2HD PRO 27 1HD PRO 27 -6.359 3.624 -5.463
223 HA PRO 28 HA PRO 28 -8.355 9.601 -2.625
224 1HB PRO 28 2HB PRO 28 -11.069 10.211 -2.275
225 2HB PRO 28 1HB PRO 28 -10.049 10.707 -3.621
226 1HG PRO 28 2HG PRO 28 -11.977 8.450 -3.443
227 2HG PRO 28 1HG PRO 28 -11.577 9.482 -4.826
228 1HD PRO 28 2HD PRO 28 -10.663 6.976 -4.657
229 2HD PRO 28 1HD PRO 28 -9.661 8.279 -5.331
230 H ALA 29 H ALA 29 -10.839 7.408 -1.478
231 HA ALA 29 HA ALA 29 -9.910 7.260 1.169
232 1HB ALA 29 1HB ALA 29 -10.785 9.541 1.361
233 2HB ALA 29 2HB ALA 29 -11.735 8.417 2.332
234 3HB ALA 29 3HB ALA 29 -12.360 8.993 0.786
235 H ASN 30 H ASN 30 -12.598 7.107 -1.058
236 HA ASN 30 HA ASN 30 -12.948 4.318 -0.431
237 1HB ASN 30 2HB ASN 30 -14.620 6.114 0.880
238 2HB ASN 30 1HB ASN 30 -15.571 5.595 -0.512
239 1HD2 ASN 30 1HD2 ASN 30 -14.042 4.625 2.440
240 2HD2 ASN 30 2HD2 ASN 30 -14.786 3.069 2.550
241 H THR 31 H THR 31 -12.340 3.864 -2.468
242 HA THR 31 HA THR 31 -13.236 5.269 -4.768
243 HB THR 31 HB THR 31 -11.092 4.020 -4.667
244 HG1 THR 31 HG1 THR 31 -11.271 3.189 -6.781
245 1HG2 THR 31 1HG2 THR 31 -12.756 1.520 -4.948
246 2HG2 THR 31 2HG2 THR 31 -12.053 2.057 -3.422
247 3HG2 THR 31 3HG2 THR 31 -11.004 1.642 -4.772
248 H ARG 32 H ARG 32 -14.251 3.896 -6.631
249 HA ARG 32 HA ARG 32 -16.768 2.886 -5.575
250 1HB ARG 32 2HB ARG 32 -15.950 3.528 -8.416
251 2HB ARG 32 1HB ARG 32 -17.544 2.966 -7.934
252 1HG ARG 32 2HG ARG 32 -17.945 5.196 -7.989
253 2HG ARG 32 1HG ARG 32 -17.395 5.056 -6.318
254 1HD ARG 32 2HD ARG 32 -16.136 6.836 -7.047
255 2HD ARG 32 1HD ARG 32 -15.040 5.495 -7.380
256 HE ARG 32 HE ARG 32 -16.818 6.528 -9.488
257 1HH1 ARG 32 1HH1 ARG 32 -13.582 5.827 -8.321
258 2HH1 ARG 32 2HH1 ARG 32 -12.807 6.259 -9.813
259 1HH2 ARG 32 1HH2 ARG 32 -15.809 7.130 -11.427
260 2HH2 ARG 32 2HH2 ARG 32 -14.078 7.007 -11.589
261 H ARG 33 H ARG 33 -16.822 0.852 -5.072
262 HA ARG 33 HA ARG 33 -16.619 -1.388 -5.106
263 1HB ARG 33 2HB ARG 33 -15.876 -0.964 -8.003
264 2HB ARG 33 1HB ARG 33 -16.044 -2.553 -7.261
265 1HG ARG 33 2HG ARG 33 -18.386 -2.032 -6.724
266 2HG ARG 33 1HG ARG 33 -18.204 -0.467 -7.520
267 1HD ARG 33 2HD ARG 33 -17.763 -1.552 -9.634
268 2HD ARG 33 1HD ARG 33 -17.791 -3.137 -8.859
269 HE ARG 33 HE ARG 33 -20.229 -1.969 -8.293
270 1HH1 ARG 33 1HH1 ARG 33 -18.470 -2.914 -11.179
271 2HH1 ARG 33 2HH1 ARG 33 -19.906 -3.268 -12.090
272 1HH2 ARG 33 1HH2 ARG 33 -22.112 -2.401 -9.508
273 2HH2 ARG 33 2HH2 ARG 33 -21.971 -2.977 -11.142
274 H TRP 34 H TRP 34 -15.058 -1.484 -3.603
275 HA TRP 34 HA TRP 34 -12.269 -1.212 -4.187
276 1HB TRP 34 2HB TRP 34 -13.781 -2.332 -1.825
277 2HB TRP 34 1HB TRP 34 -12.026 -2.357 -1.910
278 HD1 TRP 34 HD1 TRP 34 -14.963 0.075 -1.511
279 HE1 TRP 34 HE1 TRP 34 -14.059 2.287 -0.561
280 HE3 TRP 34 HE3 TRP 34 -9.960 -0.917 -1.807
281 HZ2 TRP 34 HZ2 TRP 34 -11.543 3.458 -0.015
282 HZ3 TRP 34 HZ3 TRP 34 -8.374 0.803 -1.050
283 HH2 TRP 34 HH2 TRP 34 -9.148 2.947 -0.176
284 H VAL 35 H VAL 35 -12.195 -2.661 -6.051
285 HA VAL 35 HA VAL 35 -12.474 -5.476 -5.637
286 HB VAL 35 HB VAL 35 -11.348 -5.732 -7.822
287 1HG1 VAL 35 1HG1 VAL 35 -13.061 -4.608 -9.168
288 2HG1 VAL 35 2HG1 VAL 35 -13.516 -3.638 -7.766
289 3HG1 VAL 35 3HG1 VAL 35 -13.749 -5.387 -7.742
290 1HG2 VAL 35 1HG2 VAL 35 -10.796 -3.735 -9.143
291 2HG2 VAL 35 2HG2 VAL 35 -9.781 -3.886 -7.710
292 3HG2 VAL 35 3HG2 VAL 35 -11.110 -2.727 -7.730
293 H ALA 36 H ALA 36 -10.622 -7.001 -5.883
294 HA ALA 36 HA ALA 36 -8.889 -6.633 -3.727
295 1HB ALA 36 1HB ALA 36 -8.511 -8.542 -6.027
296 2HB ALA 36 2HB ALA 36 -9.551 -8.829 -4.631
297 3HB ALA 36 3HB ALA 36 -7.806 -8.678 -4.416
298 H SER 37 H SER 37 -8.271 -6.269 -7.192
299 HA SER 37 HA SER 37 -5.503 -5.801 -6.959
300 1HB SER 37 2HB SER 37 -5.928 -4.714 -9.291
301 2HB SER 37 1HB SER 37 -6.181 -6.447 -9.084
302 HG SER 37 HG SER 37 -7.932 -5.464 -10.172
303 H ARG 38 H ARG 38 -8.290 -3.698 -6.732
304 HA ARG 38 HA ARG 38 -6.803 -1.261 -6.969
305 1HB ARG 38 2HB ARG 38 -9.462 -1.865 -7.109
306 2HB ARG 38 1HB ARG 38 -9.354 -1.132 -5.515
307 1HG ARG 38 2HG ARG 38 -8.371 0.868 -6.460
308 2HG ARG 38 1HG ARG 38 -8.370 0.134 -8.066
309 1HD ARG 38 2HD ARG 38 -10.898 -0.128 -7.725
310 2HD ARG 38 1HD ARG 38 -10.701 1.016 -6.400
311 HE ARG 38 HE ARG 38 -9.576 2.420 -8.312
312 1HH1 ARG 38 1HH1 ARG 38 -12.460 0.436 -8.457
313 2HH1 ARG 38 2HH1 ARG 38 -13.195 1.358 -9.730
314 1HH2 ARG 38 1HH2 ARG 38 -10.556 3.651 -9.995
315 2HH2 ARG 38 2HH2 ARG 38 -12.115 3.180 -10.609
316 H LYS 39 H LYS 39 -7.854 -3.323 -4.344
317 HA LYS 39 HA LYS 39 -7.029 -1.627 -2.225
318 1HB LYS 39 2HB LYS 39 -7.231 -4.643 -2.358
319 2HB LYS 39 1HB LYS 39 -6.944 -3.734 -0.883
320 1HG LYS 39 2HG LYS 39 -9.115 -2.588 -1.224
321 2HG LYS 39 1HG LYS 39 -9.407 -3.640 -2.610
322 1HD LYS 39 2HD LYS 39 -9.335 -5.596 -1.199
323 2HD LYS 39 1HD LYS 39 -8.881 -4.616 0.195
324 1HE LYS 39 2HE LYS 39 -11.066 -3.402 -0.081
325 2HE LYS 39 1HE LYS 39 -11.506 -4.617 -1.282
326 1HZ LYS 39 1HZ LYS 39 -10.835 -5.141 1.571
327 2HZ LYS 39 2HZ LYS 39 -11.217 -6.332 0.422
328 3HZ LYS 39 3HZ LYS 39 -12.388 -5.198 0.888
329 H ILE 40 H ILE 40 -5.448 -4.270 -3.956
330 HA ILE 40 HA ILE 40 -2.942 -4.181 -2.736
331 HB ILE 40 HB ILE 40 -3.711 -4.906 -5.568
332 1HG1 ILE 40 2HG1 ILE 40 -3.086 -6.642 -3.170
333 2HG1 ILE 40 1HG1 ILE 40 -4.707 -6.275 -3.753
334 1HG2 ILE 40 1HG2 ILE 40 -1.102 -5.382 -4.141
335 2HG2 ILE 40 2HG2 ILE 40 -1.360 -4.349 -5.545
336 3HG2 ILE 40 3HG2 ILE 40 -1.559 -6.097 -5.689
337 1HD1 ILE 40 1HD1 ILE 40 -4.024 -8.470 -4.483
338 2HD1 ILE 40 2HD1 ILE 40 -2.575 -7.803 -5.232
339 3HD1 ILE 40 3HD1 ILE 40 -4.166 -7.396 -5.875
340 H ALA 41 H ALA 41 -4.297 -2.271 -5.367
341 HA ALA 41 HA ALA 41 -1.952 -0.933 -6.143
342 1HB ALA 41 1HB ALA 41 -4.787 0.093 -6.276
343 2HB ALA 41 2HB ALA 41 -4.025 -0.955 -7.471
344 3HB ALA 41 3HB ALA 41 -3.412 0.678 -7.212
345 H VAL 42 H VAL 42 -4.267 -0.297 -3.554
346 HA VAL 42 HA VAL 42 -3.370 2.313 -2.948
347 HB VAL 42 HB VAL 42 -4.533 0.395 -0.925
348 1HG1 VAL 42 1HG1 VAL 42 -3.616 2.472 -0.022
349 2HG1 VAL 42 2HG1 VAL 42 -5.374 2.433 0.126
350 3HG1 VAL 42 3HG1 VAL 42 -4.618 3.405 -1.136
351 1HG2 VAL 42 1HG2 VAL 42 -5.985 2.132 -2.915
352 2HG2 VAL 42 2HG2 VAL 42 -6.735 1.324 -1.541
353 3HG2 VAL 42 3HG2 VAL 42 -6.005 0.371 -2.832
354 H VAL 43 H VAL 43 -2.593 -0.828 -1.418
355 HA VAL 43 HA VAL 43 -0.783 0.209 0.448
356 HB VAL 43 HB VAL 43 0.262 -2.288 -0.009
357 1HG1 VAL 43 1HG1 VAL 43 -2.122 -1.559 1.688
358 2HG1 VAL 43 2HG1 VAL 43 -0.430 -1.343 2.132
359 3HG1 VAL 43 3HG1 VAL 43 -1.086 -2.966 1.911
360 1HG2 VAL 43 1HG2 VAL 43 -1.370 -2.783 -1.748
361 2HG2 VAL 43 2HG2 VAL 43 -2.686 -2.393 -0.640
362 3HG2 VAL 43 3HG2 VAL 43 -1.653 -3.787 -0.326
363 H ARG 44 H ARG 44 -0.153 -1.019 -2.824
364 HA ARG 44 HA ARG 44 2.655 -0.657 -2.782
365 1HB ARG 44 2HB ARG 44 0.655 -0.669 -5.054
366 2HB ARG 44 1HB ARG 44 2.396 -0.575 -5.306
367 1HG ARG 44 2HG ARG 44 2.751 -2.730 -4.550
368 2HG ARG 44 1HG ARG 44 1.229 -2.775 -3.658
369 1HD ARG 44 2HD ARG 44 1.035 -4.192 -5.580
370 2HD ARG 44 1HD ARG 44 0.022 -2.775 -5.824
371 HE ARG 44 HE ARG 44 1.869 -1.936 -7.285
372 1HH1 ARG 44 1HH1 ARG 44 1.521 -5.356 -6.667
373 2HH1 ARG 44 2HH1 ARG 44 2.186 -5.852 -8.192
374 1HH2 ARG 44 1HH2 ARG 44 2.748 -2.577 -9.330
375 2HH2 ARG 44 2HH2 ARG 44 2.904 -4.268 -9.708
376 H GLY 45 H GLY 45 -0.005 1.484 -3.693
377 1HA GLY 45 2HA GLY 45 1.653 3.581 -4.654
378 2HA GLY 45 1HA GLY 45 -0.047 3.708 -4.249
379 H VAL 46 H VAL 46 0.187 2.966 -1.473
380 HA VAL 46 HA VAL 46 1.077 5.520 -0.493
381 HB VAL 46 HB VAL 46 0.363 4.735 1.754
382 1HG1 VAL 46 1HG1 VAL 46 -2.023 4.691 1.276
383 2HG1 VAL 46 2HG1 VAL 46 -1.684 4.359 -0.424
384 3HG1 VAL 46 3HG1 VAL 46 -1.195 5.897 0.289
385 1HG2 VAL 46 1HG2 VAL 46 -0.495 2.229 0.308
386 2HG2 VAL 46 2HG2 VAL 46 -0.895 2.652 1.973
387 3HG2 VAL 46 3HG2 VAL 46 0.781 2.343 1.522
388 H ILE 47 H ILE 47 2.031 2.159 0.215
389 HA ILE 47 HA ILE 47 3.967 2.789 2.129
390 HB ILE 47 HB ILE 47 3.651 0.353 0.377
391 1HG1 ILE 47 2HG1 ILE 47 2.997 0.848 3.290
392 2HG1 ILE 47 1HG1 ILE 47 1.829 0.793 1.973
393 1HG2 ILE 47 1HG2 ILE 47 5.971 0.495 1.060
394 2HG2 ILE 47 2HG2 ILE 47 5.154 -0.808 1.924
395 3HG2 ILE 47 3HG2 ILE 47 5.482 0.721 2.741
396 1HD1 ILE 47 1HD1 ILE 47 2.390 -1.549 1.575
397 2HD1 ILE 47 2HD1 ILE 47 1.843 -1.284 3.231
398 3HD1 ILE 47 3HD1 ILE 47 3.561 -1.490 2.893
399 H TYR 48 H TYR 48 4.398 1.996 -1.324
400 HA TYR 48 HA TYR 48 7.240 2.598 -1.053
401 1HB TYR 48 2HB TYR 48 6.692 0.547 -2.215
402 2HB TYR 48 1HB TYR 48 5.622 1.412 -3.313
403 HD1 TYR 48 HD1 TYR 48 9.195 1.285 -2.253
404 HD2 TYR 48 HD2 TYR 48 6.410 2.096 -5.356
405 HE1 TYR 48 HE1 TYR 48 11.058 1.614 -3.824
406 HE2 TYR 48 HE2 TYR 48 8.264 2.438 -6.941
407 HH TYR 48 HH TYR 48 11.497 1.562 -6.195
408 H GLY 49 H GLY 49 4.364 4.092 -2.019
409 1HA GLY 49 2HA GLY 49 5.646 5.728 -4.059
410 2HA GLY 49 1HA GLY 49 3.928 5.656 -3.716
411 H LEU 50 H LEU 50 3.368 6.573 -1.416
412 HA LEU 50 HA LEU 50 4.551 9.258 -1.633
413 1HB LEU 50 2HB LEU 50 1.759 8.351 -1.019
414 2HB LEU 50 1HB LEU 50 2.298 9.968 -0.617
415 HG LEU 50 HG LEU 50 2.888 10.245 -3.076
416 1HD1 LEU 50 1HD1 LEU 50 2.898 7.893 -3.705
417 2HD1 LEU 50 2HD1 LEU 50 1.725 8.802 -4.658
418 3HD1 LEU 50 3HD1 LEU 50 1.179 7.777 -3.329
419 1HD2 LEU 50 1HD2 LEU 50 -0.001 9.802 -2.338
420 2HD2 LEU 50 2HD2 LEU 50 0.591 10.770 -3.687
421 3HD2 LEU 50 3HD2 LEU 50 0.933 11.266 -2.029
422 H ILE 51 H ILE 51 2.619 7.637 0.904
423 HA ILE 51 HA ILE 51 4.299 9.091 2.834
424 HB ILE 51 HB ILE 51 2.414 9.400 4.275
425 1HG1 ILE 51 2HG1 ILE 51 1.276 7.224 3.779
426 2HG1 ILE 51 1HG1 ILE 51 0.180 8.598 3.833
427 1HG2 ILE 51 1HG2 ILE 51 2.684 11.051 2.529
428 2HG2 ILE 51 2HG2 ILE 51 0.976 10.828 2.907
429 3HG2 ILE 51 3HG2 ILE 51 1.656 10.108 1.449
430 1HD1 ILE 51 1HD1 ILE 51 -0.351 7.041 2.037
431 2HD1 ILE 51 2HD1 ILE 51 1.241 7.319 1.328
432 3HD1 ILE 51 3HD1 ILE 51 0.072 8.637 1.421
433 H THR 52 H THR 52 4.219 8.176 5.080
434 HA THR 52 HA THR 52 4.810 5.367 5.012
435 HB THR 52 HB THR 52 5.153 5.624 7.465
436 HG1 THR 52 HG1 THR 52 4.639 8.400 7.030
437 1HG2 THR 52 1HG2 THR 52 7.014 6.014 5.947
438 2HG2 THR 52 2HG2 THR 52 7.097 7.134 7.309
439 3HG2 THR 52 3HG2 THR 52 6.517 7.694 5.740
440 H LEU 53 H LEU 53 3.820 3.944 6.778
441 HA LEU 53 HA LEU 53 1.090 3.637 6.229
442 1HB LEU 53 2HB LEU 53 2.442 1.740 6.850
443 2HB LEU 53 1HB LEU 53 2.795 2.445 8.416
444 HG LEU 53 HG LEU 53 0.462 2.175 9.088
445 1HD1 LEU 53 1HD1 LEU 53 0.058 0.851 6.411
446 2HD1 LEU 53 2HD1 LEU 53 -0.555 2.441 6.866
447 3HD1 LEU 53 3HD1 LEU 53 -1.133 1.003 7.705
448 1HD2 LEU 53 1HD2 LEU 53 0.414 -0.274 9.179
449 2HD2 LEU 53 2HD2 LEU 53 2.013 0.370 9.551
450 3HD2 LEU 53 3HD2 LEU 53 1.693 -0.337 7.967
451 H ALA 54 H ALA 54 2.697 5.526 8.646
452 HA ALA 54 HA ALA 54 0.660 5.702 10.566
453 1HB ALA 54 1HB ALA 54 2.934 6.515 10.963
454 2HB ALA 54 2HB ALA 54 1.737 7.771 11.283
455 3HB ALA 54 3HB ALA 54 2.675 7.809 9.790
456 H GLU 55 H GLU 55 1.432 7.955 7.923
457 HA GLU 55 HA GLU 55 -0.833 9.595 8.200
458 1HB GLU 55 2HB GLU 55 1.431 9.743 6.761
459 2HB GLU 55 1HB GLU 55 0.358 9.164 5.502
460 1HG GLU 55 2HG GLU 55 -0.022 11.666 7.129
461 2HG GLU 55 1HG GLU 55 0.576 11.588 5.475
462 H ALA 56 H ALA 56 -0.206 6.700 6.299
463 HA ALA 56 HA ALA 56 -2.688 6.761 4.884
464 1HB ALA 56 1HB ALA 56 -0.764 4.470 5.253
465 2HB ALA 56 2HB ALA 56 -0.684 5.683 3.975
466 3HB ALA 56 3HB ALA 56 -2.053 4.574 4.056
467 H LYS 57 H LYS 57 -1.936 5.864 8.076
468 HA LYS 57 HA LYS 57 -4.109 3.919 8.194
469 1HB LYS 57 2HB LYS 57 -2.015 3.415 9.390
470 2HB LYS 57 1HB LYS 57 -2.230 4.857 10.370
471 1HG LYS 57 2HG LYS 57 -4.080 3.953 11.490
472 2HG LYS 57 1HG LYS 57 -4.269 2.659 10.313
473 1HD LYS 57 2HD LYS 57 -3.298 1.805 12.378
474 2HD LYS 57 1HD LYS 57 -2.145 1.680 11.049
475 1HE LYS 57 2HE LYS 57 -1.002 2.458 13.017
476 2HE LYS 57 1HE LYS 57 -1.069 3.761 11.833
477 1HZ LYS 57 1HZ LYS 57 -2.778 4.832 13.057
478 2HZ LYS 57 2HZ LYS 57 -1.568 4.421 14.167
479 3HZ LYS 57 3HZ LYS 57 -2.987 3.500 14.086
480 H GLN 58 H GLN 58 -3.244 7.079 9.584
481 HA GLN 58 HA GLN 58 -5.726 7.337 10.965
482 1HB GLN 58 2HB GLN 58 -3.494 9.222 10.314
483 2HB GLN 58 1HB GLN 58 -5.015 9.854 10.931
484 1HG GLN 58 2HG GLN 58 -3.467 9.567 12.741
485 2HG GLN 58 1HG GLN 58 -4.786 8.411 12.907
486 1HE2 GLN 58 1HE2 GLN 58 -1.422 8.844 12.218
487 2HE2 GLN 58 2HE2 GLN 58 -0.961 7.178 12.370
488 H THR 59 H THR 59 -4.665 8.036 7.732
489 HA THR 59 HA THR 59 -7.162 9.454 7.191
490 HB THR 59 HB THR 59 -4.762 9.090 5.386
491 HG1 THR 59 HG1 THR 59 -3.958 10.770 6.404
492 1HG2 THR 59 1HG2 THR 59 -6.819 9.493 4.136
493 2HG2 THR 59 2HG2 THR 59 -5.780 10.917 4.085
494 3HG2 THR 59 3HG2 THR 59 -7.181 10.888 5.154
495 H TYR 60 H TYR 60 -5.257 6.756 5.748
496 HA TYR 60 HA TYR 60 -7.713 5.923 4.369
497 1HB TYR 60 2HB TYR 60 -4.940 4.947 3.726
498 2HB TYR 60 1HB TYR 60 -6.384 4.828 2.735
499 HD1 TYR 60 HD1 TYR 60 -7.441 7.149 2.036
500 HD2 TYR 60 HD2 TYR 60 -3.400 6.591 3.239
501 HE1 TYR 60 HE1 TYR 60 -6.809 9.211 0.851
502 HE2 TYR 60 HE2 TYR 60 -2.757 8.648 2.062
503 HH TYR 60 HH TYR 60 -3.705 9.997 0.071
504 H GLY 61 H GLY 61 -6.734 5.274 7.217
505 1HA GLY 61 2HA GLY 61 -5.675 2.686 7.297
506 2HA GLY 61 1HA GLY 61 -6.496 3.481 8.623
507 H LEU 62 H LEU 62 -8.952 3.678 6.866
508 HA LEU 62 HA LEU 62 -10.944 2.584 6.719
509 1HB LEU 62 2HB LEU 62 -9.660 -0.041 6.163
510 2HB LEU 62 1HB LEU 62 -11.001 0.743 5.355
511 HG LEU 62 HG LEU 62 -8.723 2.299 4.780
512 1HD1 LEU 62 1HD1 LEU 62 -7.234 0.662 3.748
513 2HD1 LEU 62 2HD1 LEU 62 -8.221 -0.649 4.397
514 3HD1 LEU 62 3HD1 LEU 62 -7.344 0.421 5.492
515 1HD2 LEU 62 1HD2 LEU 62 -9.160 1.619 2.503
516 2HD2 LEU 62 2HD2 LEU 62 -10.683 1.926 3.342
517 3HD2 LEU 62 3HD2 LEU 62 -10.144 0.268 3.068
518 H SER 63 H SER 63 -9.441 -0.429 7.514
519 HA SER 63 HA SER 63 -9.879 -0.170 10.366
520 1HB SER 63 2HB SER 63 -11.167 -2.397 8.747
521 2HB SER 63 1HB SER 63 -11.153 -2.283 10.507
522 HG SER 63 HG SER 63 -12.082 0.003 9.392
523 H ASP 64 H ASP 64 -8.522 -1.620 11.526
524 HA ASP 64 HA ASP 64 -6.070 -2.101 10.330
525 1HB ASP 64 2HB ASP 64 -5.432 -3.258 12.341
526 2HB ASP 64 1HB ASP 64 -6.459 -1.902 12.780
527 H GLU 65 H GLU 65 -8.730 -4.381 10.876
528 HA GLU 65 HA GLU 65 -7.408 -6.681 9.936
529 1HB GLU 65 2HB GLU 65 -10.356 -6.100 9.690
530 2HB GLU 65 1HB GLU 65 -9.585 -7.677 9.765
531 1HG GLU 65 2HG GLU 65 -8.923 -7.275 12.063
532 2HG GLU 65 1HG GLU 65 -9.620 -5.657 11.998
533 H GLU 66 H GLU 66 -9.276 -4.205 8.275
534 HA GLU 66 HA GLU 66 -9.427 -5.380 5.730
535 1HB GLU 66 2HB GLU 66 -10.793 -3.463 6.318
536 2HB GLU 66 1HB GLU 66 -9.365 -2.474 6.572
537 1HG GLU 66 2HG GLU 66 -10.290 -1.825 4.505
538 2HG GLU 66 1HG GLU 66 -8.843 -2.758 4.142
539 H PHE 67 H PHE 67 -7.159 -2.919 6.942
540 HA PHE 67 HA PHE 67 -5.614 -2.792 4.601
541 1HB PHE 67 2HB PHE 67 -5.723 -1.155 6.605
542 2HB PHE 67 1HB PHE 67 -4.505 -2.194 7.336
543 HD1 PHE 67 HD1 PHE 67 -2.275 -2.417 6.282
544 HD2 PHE 67 HD2 PHE 67 -5.183 0.346 4.848
545 HE1 PHE 67 HE1 PHE 67 -0.520 -1.209 5.053
546 HE2 PHE 67 HE2 PHE 67 -3.430 1.557 3.618
547 HZ PHE 67 HZ PHE 67 -1.098 0.780 3.718
548 H ASN 68 H ASN 68 -5.241 -4.695 7.575
549 HA ASN 68 HA ASN 68 -2.754 -5.865 6.987
550 1HB ASN 68 2HB ASN 68 -5.069 -6.794 8.674
551 2HB ASN 68 1HB ASN 68 -3.632 -7.787 8.469
552 1HD2 ASN 68 1HD2 ASN 68 -4.663 -6.653 10.893
553 2HD2 ASN 68 2HD2 ASN 68 -3.443 -5.605 11.520
554 H SER 69 H SER 69 -5.999 -6.678 5.948
555 HA SER 69 HA SER 69 -5.448 -9.249 4.952
556 1HB SER 69 2HB SER 69 -7.741 -8.379 5.309
557 2HB SER 69 1HB SER 69 -7.516 -7.269 3.959
558 HG SER 69 HG SER 69 -7.165 -9.164 2.639
559 H TRP 70 H TRP 70 -5.034 -6.039 3.569
560 HA TRP 70 HA TRP 70 -4.582 -6.862 0.896
561 1HB TRP 70 2HB TRP 70 -3.420 -4.431 2.280
562 2HB TRP 70 1HB TRP 70 -3.627 -4.657 0.549
563 HD1 TRP 70 HD1 TRP 70 -6.735 -5.890 1.930
564 HE1 TRP 70 HE1 TRP 70 -8.561 -4.077 1.981
565 HE3 TRP 70 HE3 TRP 70 -3.803 -1.782 1.143
566 HZ2 TRP 70 HZ2 TRP 70 -8.727 -1.274 1.687
567 HZ3 TRP 70 HZ3 TRP 70 -4.875 0.427 1.036
568 HH2 TRP 70 HH2 TRP 70 -7.285 0.674 1.301
569 H VAL 71 H VAL 71 -2.380 -6.059 3.552
570 HA VAL 71 HA VAL 71 0.009 -6.657 2.164
571 HB VAL 71 HB VAL 71 -0.414 -6.743 5.152
572 1HG1 VAL 71 1HG1 VAL 71 1.957 -6.084 5.234
573 2HG1 VAL 71 2HG1 VAL 71 2.037 -6.224 3.477
574 3HG1 VAL 71 3HG1 VAL 71 1.715 -7.651 4.464
575 1HG2 VAL 71 1HG2 VAL 71 0.225 -4.372 3.404
576 2HG2 VAL 71 2HG2 VAL 71 0.213 -4.374 5.167
577 3HG2 VAL 71 3HG2 VAL 71 -1.283 -4.648 4.276
578 H SER 72 H SER 72 -2.162 -8.563 4.169
579 HA SER 72 HA SER 72 -0.525 -10.856 4.389
580 1HB SER 72 2HB SER 72 -3.525 -10.525 4.578
581 2HB SER 72 1HB SER 72 -2.663 -12.006 5.004
582 HG SER 72 HG SER 72 -2.482 -9.452 6.216
583 H ALA 73 H ALA 73 -2.732 -9.741 1.906
584 HA ALA 73 HA ALA 73 -2.713 -12.222 0.452
585 1HB ALA 73 1HB ALA 73 -3.808 -10.958 -1.329
586 2HB ALA 73 2HB ALA 73 -3.488 -9.453 -0.468
587 3HB ALA 73 3HB ALA 73 -4.579 -10.649 0.226
588 H LEU 74 H LEU 74 -0.925 -9.220 0.435
589 HA LEU 74 HA LEU 74 0.643 -9.875 -1.889
590 1HB LEU 74 2HB LEU 74 0.883 -7.713 0.200
591 2HB LEU 74 1HB LEU 74 1.949 -7.850 -1.191
592 HG LEU 74 HG LEU 74 -1.040 -7.495 -1.378
593 1HD1 LEU 74 1HD1 LEU 74 0.025 -5.553 -0.355
594 2HD1 LEU 74 2HD1 LEU 74 -0.560 -5.191 -1.982
595 3HD1 LEU 74 3HD1 LEU 74 1.162 -5.465 -1.700
596 1HD2 LEU 74 1HD2 LEU 74 -0.034 -8.607 -3.303
597 2HD2 LEU 74 2HD2 LEU 74 1.154 -7.312 -3.443
598 3HD2 LEU 74 3HD2 LEU 74 -0.556 -6.974 -3.721
599 H ALA 75 H ALA 75 0.638 -10.937 1.225
600 HA ALA 75 HA ALA 75 3.445 -11.286 1.641
601 1HB ALA 75 1HB ALA 75 2.747 -12.815 3.437
602 2HB ALA 75 2HB ALA 75 1.078 -12.692 2.878
603 3HB ALA 75 3HB ALA 75 1.901 -11.269 3.517
604 H GLU 76 H GLU 76 0.972 -12.918 -0.094
605 HA GLU 76 HA GLU 76 0.844 -14.811 -1.321
606 1HB GLU 76 2HB GLU 76 3.074 -14.062 -2.202
607 2HB GLU 76 1HB GLU 76 3.834 -15.064 -0.972
608 1HG GLU 76 2HG GLU 76 2.732 -17.039 -1.942
609 2HG GLU 76 1HG GLU 76 2.052 -16.011 -3.205
610 H HIS 77 H HIS 77 3.401 -15.427 1.059
611 HA HIS 77 HA HIS 77 1.776 -17.625 2.147
612 1HB HIS 77 2HB HIS 77 4.730 -17.023 2.417
613 2HB HIS 77 1HB HIS 77 3.903 -18.265 3.350
614 HD1 HIS 77 HD1 HIS 77 3.310 -20.451 2.158
615 HD2 HIS 77 HD2 HIS 77 5.112 -17.637 -0.323
616 HE1 HIS 77 HE1 HIS 77 3.909 -21.686 0.048
617 HE2 HIS 77 HE2 HIS 77 5.049 -19.985 -1.419
618 H GLY 78 H GLY 78 0.363 -16.427 3.390
619 1HA GLY 78 2HA GLY 78 1.510 -14.380 5.163
620 2HA GLY 78 1HA GLY 78 -0.180 -14.513 4.700
621 H LYS 79 H LYS 79 1.980 -17.009 5.980
622 HA LYS 79 HA LYS 79 0.254 -17.119 8.366
623 1HB LYS 79 2HB LYS 79 1.593 -19.331 6.830
624 2HB LYS 79 1HB LYS 79 1.094 -19.548 8.502
625 1HG LYS 79 2HG LYS 79 -0.671 -18.913 6.149
626 2HG LYS 79 1HG LYS 79 -0.601 -20.425 7.057
627 1HD LYS 79 2HD LYS 79 -1.200 -18.974 9.100
628 2HD LYS 79 1HD LYS 79 -1.684 -17.763 7.911
629 1HE LYS 79 2HE LYS 79 -3.611 -19.041 8.552
630 2HE LYS 79 1HE LYS 79 -3.187 -19.436 6.885
631 1HZ LYS 79 1HZ LYS 79 -2.241 -21.479 7.566
632 2HZ LYS 79 2HZ LYS 79 -3.749 -21.374 8.340
633 3HZ LYS 79 3HZ LYS 79 -2.322 -21.064 9.207
634 H ASP 80 H ASP 80 3.522 -17.366 7.115
635 HA ASP 80 HA ASP 80 4.666 -17.541 9.768
636 1HB ASP 80 2HB ASP 80 5.876 -17.362 7.010
637 2HB ASP 80 1HB ASP 80 6.853 -17.336 8.474
638 H ALA 81 H ALA 81 4.144 -15.141 7.298
639 HA ALA 81 HA ALA 81 4.052 -12.881 7.379
640 1HB ALA 81 1HB ALA 81 4.740 -13.164 10.299
641 2HB ALA 81 2HB ALA 81 3.121 -13.070 9.609
642 3HB ALA 81 3HB ALA 81 4.208 -11.685 9.500
643 H LEU 82 H LEU 82 6.855 -14.597 8.350
644 HA LEU 82 HA LEU 82 8.630 -12.326 8.149
645 1HB LEU 82 2HB LEU 82 9.002 -15.261 8.592
646 2HB LEU 82 1HB LEU 82 10.372 -14.295 8.085
647 HG LEU 82 HG LEU 82 10.454 -14.533 10.463
648 1HD1 LEU 82 1HD1 LEU 82 10.381 -12.200 11.194
649 2HD1 LEU 82 2HD1 LEU 82 9.478 -11.776 9.740
650 3HD1 LEU 82 3HD1 LEU 82 11.135 -12.369 9.609
651 1HD2 LEU 82 1HD2 LEU 82 8.661 -13.761 11.937
652 2HD2 LEU 82 2HD2 LEU 82 8.128 -15.082 10.896
653 3HD2 LEU 82 3HD2 LEU 82 7.654 -13.424 10.531
654 H LYS 83 H LYS 83 6.903 -13.805 5.890
655 HA LYS 83 HA LYS 83 9.026 -13.618 3.854
656 1HB LYS 83 2HB LYS 83 6.664 -15.508 3.795
657 2HB LYS 83 1HB LYS 83 7.985 -15.438 2.636
658 1HG LYS 83 2HG LYS 83 9.546 -16.203 4.314
659 2HG LYS 83 1HG LYS 83 8.282 -16.171 5.543
660 1HD LYS 83 2HD LYS 83 7.036 -17.869 4.247
661 2HD LYS 83 1HD LYS 83 8.382 -17.948 3.107
662 1HE LYS 83 2HE LYS 83 8.501 -18.584 6.054
663 2HE LYS 83 1HE LYS 83 8.498 -19.759 4.739
664 1HZ LYS 83 1HZ LYS 83 10.726 -19.316 5.628
665 2HZ LYS 83 2HZ LYS 83 10.597 -17.692 5.163
666 3HZ LYS 83 3HZ LYS 83 10.605 -18.913 3.987
667 H VAL 84 H VAL 84 6.541 -11.983 4.971
668 HA VAL 84 HA VAL 84 4.766 -11.632 2.816
669 HB VAL 84 HB VAL 84 5.554 -9.572 4.887
670 1HG1 VAL 84 1HG1 VAL 84 4.373 -8.613 2.986
671 2HG1 VAL 84 2HG1 VAL 84 3.355 -8.596 4.427
672 3HG1 VAL 84 3HG1 VAL 84 3.086 -9.803 3.169
673 1HG2 VAL 84 1HG2 VAL 84 4.796 -11.662 5.920
674 2HG2 VAL 84 2HG2 VAL 84 3.315 -11.592 4.964
675 3HG2 VAL 84 3HG2 VAL 84 3.643 -10.351 6.174
676 H THR 85 H THR 85 5.295 -10.982 0.840
677 HA THR 85 HA THR 85 7.795 -10.045 0.099
678 HB THR 85 HB THR 85 5.231 -9.612 -1.444
679 HG1 THR 85 HG1 THR 85 6.585 -11.905 -0.744
680 1HG2 THR 85 1HG2 THR 85 7.171 -8.447 -2.382
681 2HG2 THR 85 2HG2 THR 85 6.696 -9.798 -3.413
682 3HG2 THR 85 3HG2 THR 85 8.098 -9.945 -2.352
683 H ALA 86 H ALA 86 4.772 -8.160 0.413
684 HA ALA 86 HA ALA 86 5.934 -5.689 -0.329
685 1HB ALA 86 1HB ALA 86 3.520 -6.152 -0.453
686 2HB ALA 86 2HB ALA 86 3.876 -4.681 0.451
687 3HB ALA 86 3HB ALA 86 3.448 -6.160 1.310
688 H LEU 87 H LEU 87 5.875 -7.410 2.675
689 HA LEU 87 HA LEU 87 6.318 -4.996 4.240
690 1HB LEU 87 2HB LEU 87 4.764 -6.928 4.930
691 2HB LEU 87 1HB LEU 87 6.227 -7.814 5.298
692 HG LEU 87 HG LEU 87 5.054 -6.718 7.250
693 1HD1 LEU 87 1HD1 LEU 87 7.378 -7.488 7.357
694 2HD1 LEU 87 2HD1 LEU 87 7.102 -6.055 8.348
695 3HD1 LEU 87 3HD1 LEU 87 7.915 -5.906 6.788
696 1HD2 LEU 87 1HD2 LEU 87 4.475 -4.621 6.160
697 2HD2 LEU 87 2HD2 LEU 87 6.187 -4.221 6.002
698 3HD2 LEU 87 3HD2 LEU 87 5.453 -4.339 7.600
699 H LYS 88 H LYS 88 7.931 -7.996 3.343
700 HA LYS 88 HA LYS 88 10.308 -7.581 4.777
701 1HB LYS 88 2HB LYS 88 9.830 -9.758 3.871
702 2HB LYS 88 1HB LYS 88 9.759 -9.124 2.234
703 1HG LYS 88 2HG LYS 88 12.100 -8.768 2.179
704 2HG LYS 88 1HG LYS 88 12.248 -9.054 3.912
705 1HD LYS 88 2HD LYS 88 11.213 -11.191 2.084
706 2HD LYS 88 1HD LYS 88 12.948 -10.927 2.281
707 1HE LYS 88 2HE LYS 88 12.641 -11.155 4.734
708 2HE LYS 88 1HE LYS 88 10.955 -11.580 4.441
709 1HZ LYS 88 1HZ LYS 88 12.398 -13.527 4.736
710 2HZ LYS 88 2HZ LYS 88 13.286 -13.077 3.361
711 3HZ LYS 88 3HZ LYS 88 11.657 -13.509 3.213
712 H LYS 89 H LYS 89 9.200 -6.407 1.656
713 HA LYS 89 HA LYS 89 11.701 -5.231 0.914
714 1HB LYS 89 2HB LYS 89 8.890 -4.565 0.023
715 2HB LYS 89 1HB LYS 89 10.352 -3.920 -0.709
716 1HG LYS 89 2HG LYS 89 11.019 -6.183 -1.364
717 2HG LYS 89 1HG LYS 89 9.544 -6.819 -0.633
718 1HD LYS 89 2HD LYS 89 9.138 -6.631 -2.967
719 2HD LYS 89 1HD LYS 89 8.246 -5.328 -2.181
720 1HE LYS 89 2HE LYS 89 9.285 -4.391 -4.097
721 2HE LYS 89 1HE LYS 89 10.201 -3.826 -2.700
722 1HZ LYS 89 1HZ LYS 89 10.956 -6.072 -4.486
723 2HZ LYS 89 2HZ LYS 89 11.844 -5.556 -3.131
724 3HZ LYS 89 3HZ LYS 89 11.666 -4.532 -4.475
725 H TYR 90 H TYR 90 8.742 -3.938 2.388
726 HA TYR 90 HA TYR 90 9.606 -1.293 2.655
727 1HB TYR 90 2HB TYR 90 7.262 -2.224 2.971
728 2HB TYR 90 1HB TYR 90 7.770 -2.725 4.578
729 HD1 TYR 90 HD1 TYR 90 6.348 -1.381 5.905
730 HD2 TYR 90 HD2 TYR 90 8.713 0.428 2.868
731 HE1 TYR 90 HE1 TYR 90 5.737 0.844 6.763
732 HE2 TYR 90 HE2 TYR 90 8.110 2.654 3.716
733 HH TYR 90 HH TYR 90 6.354 3.714 5.004
734 H ARG 91 H ARG 91 9.719 -3.970 4.995
735 HA ARG 91 HA ARG 91 10.909 -2.591 7.105
736 1HB ARG 91 2HB ARG 91 9.955 -4.731 7.510
737 2HB ARG 91 1HB ARG 91 10.998 -5.499 6.320
738 1HG ARG 91 2HG ARG 91 12.939 -5.068 7.737
739 2HG ARG 91 1HG ARG 91 11.895 -4.293 8.930
740 1HD ARG 91 2HD ARG 91 10.744 -6.348 9.355
741 2HD ARG 91 1HD ARG 91 11.568 -7.145 8.013
742 HE ARG 91 HE ARG 91 13.615 -7.040 9.291
743 1HH1 ARG 91 1HH1 ARG 91 10.669 -6.353 11.057
744 2HH1 ARG 91 2HH1 ARG 91 11.368 -6.694 12.611
745 1HH2 ARG 91 1HH2 ARG 91 14.531 -7.505 11.342
746 2HH2 ARG 91 2HH2 ARG 91 13.541 -7.367 12.764
747 H GLN 92 H GLN 92 12.453 -4.485 4.522
748 HA GLN 92 HA GLN 92 15.090 -4.135 5.463
749 1HB GLN 92 2HB GLN 92 14.606 -5.934 3.950
750 2HB GLN 92 1HB GLN 92 13.994 -4.819 2.735
751 1HG GLN 92 2HG GLN 92 16.214 -3.922 2.390
752 2HG GLN 92 1HG GLN 92 16.853 -4.957 3.665
753 1HE2 GLN 92 1HE2 GLN 92 15.225 -7.236 2.910
754 2HE2 GLN 92 2HE2 GLN 92 15.927 -7.874 1.463
755 H LEU 93 H LEU 93 13.052 -2.255 3.308
756 HA LEU 93 HA LEU 93 15.178 -0.505 2.477
757 1HB LEU 93 2HB LEU 93 13.304 -0.995 1.008
758 2HB LEU 93 1HB LEU 93 12.179 -0.310 2.161
759 HG LEU 93 HG LEU 93 13.294 1.912 1.825
760 1HD1 LEU 93 1HD1 LEU 93 14.731 0.414 -0.361
761 2HD1 LEU 93 2HD1 LEU 93 15.458 1.165 1.061
762 3HD1 LEU 93 3HD1 LEU 93 14.706 2.167 -0.182
763 1HD2 LEU 93 1HD2 LEU 93 12.163 0.585 -0.637
764 2HD2 LEU 93 2HD2 LEU 93 12.277 2.325 -0.366
765 3HD2 LEU 93 3HD2 LEU 93 11.233 1.340 0.657
766 H LEU 94 H LEU 94 13.268 -0.743 5.251
767 HA LEU 94 HA LEU 94 13.218 2.081 5.879
768 1HB LEU 94 2HB LEU 94 12.474 -0.379 7.440
769 2HB LEU 94 1HB LEU 94 12.438 1.226 8.140
770 HG LEU 94 HG LEU 94 10.829 0.390 5.731
771 1HD1 LEU 94 1HD1 LEU 94 10.148 -0.847 7.703
772 2HD1 LEU 94 2HD1 LEU 94 8.929 0.356 7.273
773 3HD1 LEU 94 3HD1 LEU 94 10.026 0.651 8.622
774 1HD2 LEU 94 1HD2 LEU 94 10.718 2.844 7.483
775 2HD2 LEU 94 2HD2 LEU 94 9.596 2.465 6.174
776 3HD2 LEU 94 3HD2 LEU 94 11.296 2.778 5.820
777 H GLU 95 H GLU 95 15.588 -0.205 5.925
778 HA GLU 95 HA GLU 95 16.882 0.249 8.372
779 1HB GLU 95 2HB GLU 95 17.482 -1.610 6.890
780 2HB GLU 95 1HB GLU 95 18.124 -0.471 5.712
781 1HG GLU 95 2HG GLU 95 19.861 -1.568 7.087
782 2HG GLU 95 1HG GLU 95 19.870 0.191 7.205
783 H HIS 96 H HIS 96 17.165 2.208 9.047
784 HA HIS 96 HA HIS 96 19.318 3.757 8.190
785 1HB HIS 96 2HB HIS 96 18.043 5.859 7.572
786 2HB HIS 96 1HB HIS 96 18.040 4.594 6.355
787 HD1 HIS 96 HD1 HIS 96 15.842 4.141 5.351
788 HD2 HIS 96 HD2 HIS 96 15.473 5.839 9.127
789 HE1 HIS 96 HE1 HIS 96 13.380 4.548 5.675
790 HE2 HIS 96 HE2 HIS 96 13.208 5.769 7.876
791 H HIS 97 H HIS 97 17.935 6.286 9.188
792 HA HIS 97 HA HIS 97 18.423 6.091 11.907
793 1HB HIS 97 2HB HIS 97 16.514 7.907 10.428
794 2HB HIS 97 1HB HIS 97 16.877 8.075 12.145
795 HD1 HIS 97 HD1 HIS 97 18.171 8.870 8.784
796 HD2 HIS 97 HD2 HIS 97 19.597 8.823 12.693
797 HE1 HIS 97 HE1 HIS 97 20.300 10.206 8.749
798 HE2 HIS 97 HE2 HIS 97 21.040 10.322 11.155
799 H HIS 98 H HIS 98 16.991 6.012 13.731
800 HA HIS 98 HA HIS 98 15.489 3.628 13.578
801 1HB HIS 98 2HB HIS 98 15.799 5.652 15.796
802 2HB HIS 98 1HB HIS 98 14.932 4.130 15.981
803 HD1 HIS 98 HD1 HIS 98 16.298 2.004 16.213
804 HD2 HIS 98 HD2 HIS 98 18.622 5.375 15.479
805 HE1 HIS 98 HE1 HIS 98 18.678 1.281 16.586
806 HE2 HIS 98 HE2 HIS 98 20.058 3.251 15.832
807 H HIS 99 H HIS 99 13.432 3.229 13.278
808 HA HIS 99 HA HIS 99 11.673 5.519 12.741
809 1HB HIS 99 2HB HIS 99 10.363 3.778 11.388
810 2HB HIS 99 1HB HIS 99 11.930 4.270 10.753
811 HD1 HIS 99 HD1 HIS 99 10.133 1.336 12.254
812 HD2 HIS 99 HD2 HIS 99 13.893 2.276 10.730
813 HE1 HIS 99 HE1 HIS 99 11.320 -0.860 11.964
814 HE2 HIS 99 HE2 HIS 99 13.657 -0.242 11.256
815 H HIS 100 H HIS 100 12.244 3.719 15.230
816 HA HIS 100 HA HIS 100 9.829 4.100 16.558
817 1HB HIS 100 2HB HIS 100 9.001 2.282 15.066
818 2HB HIS 100 1HB HIS 100 10.255 1.221 15.695
819 HD1 HIS 100 HD1 HIS 100 6.990 2.825 16.635
820 HD2 HIS 100 HD2 HIS 100 9.717 0.079 18.171
821 HE1 HIS 100 HE1 HIS 100 5.828 1.716 18.579
822 HE2 HIS 100 HE2 HIS 100 7.497 0.064 19.500
823 H HIS 101 H HIS 101 12.318 1.583 16.294
824 HA HIS 101 HA HIS 101 13.893 2.741 18.358
825 1HB HIS 101 2HB HIS 101 12.106 1.508 19.685
826 2HB HIS 101 1HB HIS 101 12.746 0.015 19.007
827 HD1 HIS 101 HD1 HIS 101 13.421 -0.811 21.368
828 HD2 HIS 101 HD2 HIS 101 15.292 2.713 20.193
829 HE1 HIS 101 HE1 HIS 101 15.299 -0.457 23.006
830 HE2 HIS 101 HE2 HIS 101 16.348 1.739 22.345
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