NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
10664 |
1q38   |
cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HT MET 1 -13.138 -8.355 12.700
2 2H MET 1 2HT MET 1 -14.721 -8.371 13.297
3 3H MET 1 3HT MET 1 -13.536 -7.444 14.070
4 HA MET 1 HA MET 1 -14.675 -6.994 11.372
5 1HB MET 1 2HB MET 1 -15.363 -4.823 12.447
6 2HB MET 1 1HB MET 1 -16.161 -6.251 13.092
7 1HG MET 1 2HG MET 1 -13.985 -6.019 14.726
8 2HG MET 1 1HG MET 1 -14.388 -4.335 14.393
9 1HE MET 1 1HE MET 1 -14.430 -4.994 17.253
10 2HE MET 1 2HE MET 1 -16.041 -4.597 17.851
11 3HE MET 1 3HE MET 1 -15.229 -3.512 16.724
12 H ARG 2 H ARG 2 -11.948 -6.706 13.387
13 HA ARG 2 HA ARG 2 -10.865 -4.382 12.022
14 1HB ARG 2 2HB ARG 2 -10.192 -5.956 14.422
15 2HB ARG 2 1HB ARG 2 -8.808 -5.343 13.527
16 1HG ARG 2 2HG ARG 2 -9.268 -3.698 15.116
17 2HG ARG 2 1HG ARG 2 -9.961 -3.074 13.617
18 1HD ARG 2 2HD ARG 2 -11.474 -2.750 15.516
19 2HD ARG 2 1HD ARG 2 -12.171 -3.825 14.304
20 HE ARG 2 HE ARG 2 -11.548 -5.686 15.788
21 1HH1 ARG 2 1HH1 ARG 2 -11.754 -2.475 17.121
22 2HH1 ARG 2 2HH1 ARG 2 -12.039 -3.025 18.739
23 1HH2 ARG 2 1HH2 ARG 2 -11.920 -6.420 17.914
24 2HH2 ARG 2 2HH2 ARG 2 -12.133 -5.268 19.189
25 H GLY 3 H GLY 3 -9.223 -7.433 12.792
26 1HA GLY 3 2HA GLY 3 -8.934 -8.481 10.250
27 2HA GLY 3 1HA GLY 3 -7.633 -7.312 10.432
28 H SER 4 H SER 4 -8.136 -10.455 10.502
29 HA SER 4 HA SER 4 -6.639 -11.062 12.930
30 1HB SER 4 2HB SER 4 -7.985 -12.807 10.863
31 2HB SER 4 1HB SER 4 -7.007 -13.458 12.179
32 HG SER 4 HG SER 4 -9.061 -11.648 12.777
33 H ASN 5 H ASN 5 -4.643 -12.139 12.928
34 HA ASN 5 HA ASN 5 -2.935 -11.434 10.719
35 1HB ASN 5 2HB ASN 5 -2.586 -11.877 13.476
36 2HB ASN 5 1HB ASN 5 -1.650 -13.131 12.667
37 1HD2 ASN 5 1HD2 ASN 5 -0.755 -11.901 10.441
38 2HD2 ASN 5 2HD2 ASN 5 0.273 -10.575 10.855
39 H ALA 6 H ALA 6 -1.999 -12.757 9.243
40 HA ALA 6 HA ALA 6 -2.662 -15.625 9.383
41 1HB ALA 6 1HB ALA 6 -2.384 -14.901 6.668
42 2HB ALA 6 2HB ALA 6 -3.465 -13.724 7.414
43 3HB ALA 6 3HB ALA 6 -3.835 -15.445 7.509
44 HA PRO 7 HA PRO 7 1.894 -15.361 9.054
45 1HB PRO 7 2HB PRO 7 2.396 -17.660 10.385
46 2HB PRO 7 1HB PRO 7 2.047 -16.138 11.213
47 1HG PRO 7 2HG PRO 7 0.232 -18.449 10.650
48 2HG PRO 7 1HG PRO 7 0.391 -17.486 12.130
49 1HD PRO 7 2HD PRO 7 -1.596 -17.098 10.313
50 2HD PRO 7 1HD PRO 7 -0.939 -15.795 11.321
51 H GLN 8 H GLN 8 2.416 -15.776 6.996
52 HA GLN 8 HA GLN 8 2.849 -16.874 5.055
53 1HB GLN 8 2HB GLN 8 3.119 -19.340 6.767
54 2HB GLN 8 1HB GLN 8 3.931 -18.990 5.248
55 1HG GLN 8 2HG GLN 8 5.387 -17.475 6.225
56 2HG GLN 8 1HG GLN 8 4.355 -17.242 7.634
57 1HE2 GLN 8 1HE2 GLN 8 4.196 -18.989 9.161
58 2HE2 GLN 8 2HE2 GLN 8 5.525 -20.074 9.364
59 HA PRO 9 HA PRO 9 -1.321 -18.938 4.802
60 1HB PRO 9 2HB PRO 9 -2.786 -16.994 3.717
61 2HB PRO 9 1HB PRO 9 -2.444 -17.008 5.451
62 1HG PRO 9 2HG PRO 9 -1.195 -15.373 3.286
63 2HG PRO 9 1HG PRO 9 -1.623 -14.905 4.941
64 1HD PRO 9 2HD PRO 9 0.923 -15.636 4.071
65 2HD PRO 9 1HD PRO 9 0.380 -15.606 5.760
66 H SER 10 H SER 10 -2.858 -18.362 2.545
67 HA SER 10 HA SER 10 -1.435 -19.708 0.511
68 1HB SER 10 2HB SER 10 -3.403 -19.603 -0.750
69 2HB SER 10 1HB SER 10 -4.006 -19.517 0.905
70 HG SER 10 HG SER 10 -4.994 -17.900 -0.246
71 H HIS 11 H HIS 11 -1.786 -16.382 1.341
72 HA HIS 11 HA HIS 11 -0.703 -15.463 -1.213
73 1HB HIS 11 2HB HIS 11 -2.532 -14.359 0.550
74 2HB HIS 11 1HB HIS 11 -1.062 -13.450 0.882
75 HD2 HIS 11 2HD HIS 11 -0.206 -11.754 -1.134
76 HE1 HIS 11 1HE HIS 11 -3.582 -12.390 -3.605
77 HE2 HIS 11 2HE HIS 11 -1.616 -10.864 -3.121
78 H ILE 12 H ILE 12 0.651 -13.178 -0.112
79 HA ILE 12 HA ILE 12 3.201 -14.361 0.400
80 HB ILE 12 HB ILE 12 3.007 -12.265 -0.854
81 1HG1 ILE 12 2HG1 ILE 12 4.574 -10.901 0.890
82 2HG1 ILE 12 1HG1 ILE 12 4.649 -12.512 1.596
83 1HG2 ILE 12 1HG2 ILE 12 2.235 -10.932 1.731
84 2HG2 ILE 12 2HG2 ILE 12 1.072 -11.402 0.490
85 3HG2 ILE 12 3HG2 ILE 12 2.321 -10.211 0.123
86 1HD1 ILE 12 1HD1 ILE 12 5.693 -13.416 -0.258
87 2HD1 ILE 12 2HD1 ILE 12 6.424 -11.816 -0.126
88 3HD1 ILE 12 3HD1 ILE 12 5.159 -12.113 -1.319
89 H SER 13 H SER 13 4.493 -14.137 2.286
90 HA SER 13 HA SER 13 3.274 -14.693 4.706
91 1HB SER 13 2HB SER 13 5.999 -13.693 3.956
92 2HB SER 13 1HB SER 13 5.551 -13.776 5.659
93 HG SER 13 HG SER 13 6.531 -15.711 4.378
94 H LYS 14 H LYS 14 4.420 -11.591 3.452
95 HA LYS 14 HA LYS 14 2.414 -10.109 4.777
96 1HB LYS 14 2HB LYS 14 3.652 -8.948 6.450
97 2HB LYS 14 1HB LYS 14 3.939 -10.663 6.709
98 1HG LYS 14 2HG LYS 14 6.060 -10.285 5.283
99 2HG LYS 14 1HG LYS 14 5.797 -8.579 5.647
100 1HD LYS 14 2HD LYS 14 6.763 -8.862 7.628
101 2HD LYS 14 1HD LYS 14 5.511 -10.026 8.066
102 1HE LYS 14 2HE LYS 14 8.127 -10.596 6.682
103 2HE LYS 14 1HE LYS 14 7.664 -11.067 8.316
104 1HZ LYS 14 1HZ LYS 14 7.182 -12.984 7.242
105 2HZ LYS 14 2HZ LYS 14 6.888 -12.230 5.756
106 3HZ LYS 14 3HZ LYS 14 5.707 -12.200 6.967
107 H TYR 15 H TYR 15 2.288 -8.022 4.016
108 HA TYR 15 HA TYR 15 4.192 -7.326 1.889
109 1HB TYR 15 2HB TYR 15 1.359 -7.288 2.021
110 2HB TYR 15 1HB TYR 15 1.881 -5.610 1.957
111 HD1 TYR 15 1HD TYR 15 0.639 -7.998 -0.041
112 HD2 TYR 15 2HD TYR 15 4.089 -5.518 0.165
113 HE1 TYR 15 1HE TYR 15 0.910 -8.181 -2.480
114 HE2 TYR 15 2HE TYR 15 4.370 -5.695 -2.270
115 HH TYR 15 HH TYR 15 2.007 -7.402 -4.274
116 H ILE 16 H ILE 16 5.124 -5.247 1.826
117 HA ILE 16 HA ILE 16 4.906 -3.749 4.351
118 HB ILE 16 HB ILE 16 7.253 -4.640 2.860
119 1HG1 ILE 16 2HG1 ILE 16 6.747 -5.086 5.256
120 2HG1 ILE 16 1HG1 ILE 16 8.323 -4.336 5.016
121 1HG2 ILE 16 1HG2 ILE 16 8.575 -2.556 3.347
122 2HG2 ILE 16 2HG2 ILE 16 7.036 -1.720 3.563
123 3HG2 ILE 16 3HG2 ILE 16 7.440 -2.436 2.002
124 1HD1 ILE 16 1HD1 ILE 16 7.099 -3.418 6.941
125 2HD1 ILE 16 2HD1 ILE 16 5.828 -2.871 5.846
126 3HD1 ILE 16 3HD1 ILE 16 7.454 -2.198 5.717
127 H LEU 17 H LEU 17 4.123 -1.767 4.236
128 HA LEU 17 HA LEU 17 4.059 -0.461 1.600
129 1HB LEU 17 2HB LEU 17 1.901 -1.139 2.981
130 2HB LEU 17 1HB LEU 17 2.239 0.370 3.806
131 HG LEU 17 HG LEU 17 2.262 0.576 0.877
132 1HD1 LEU 17 1HD1 LEU 17 -0.171 0.494 0.657
133 2HD1 LEU 17 2HD1 LEU 17 -0.306 -0.055 2.328
134 3HD1 LEU 17 3HD1 LEU 17 0.485 -1.075 1.126
135 1HD2 LEU 17 1HD2 LEU 17 0.471 2.377 1.866
136 2HD2 LEU 17 2HD2 LEU 17 2.201 2.664 1.690
137 3HD2 LEU 17 3HD2 LEU 17 1.548 2.145 3.243
138 H ARG 18 H ARG 18 5.495 1.109 1.435
139 HA ARG 18 HA ARG 18 6.104 2.702 3.832
140 1HB ARG 18 2HB ARG 18 7.918 2.433 1.445
141 2HB ARG 18 1HB ARG 18 8.315 3.035 3.047
142 1HG ARG 18 2HG ARG 18 8.707 0.987 3.858
143 2HG ARG 18 1HG ARG 18 7.343 0.272 2.996
144 1HD ARG 18 2HD ARG 18 9.050 -0.736 1.875
145 2HD ARG 18 1HD ARG 18 8.902 0.729 0.906
146 HE ARG 18 HE ARG 18 10.731 1.547 2.575
147 1HH1 ARG 18 1HH1 ARG 18 10.429 -1.628 1.169
148 2HH1 ARG 18 2HH1 ARG 18 12.131 -1.944 1.198
149 1HH2 ARG 18 1HH2 ARG 18 12.975 1.139 2.618
150 2HH2 ARG 18 2HH2 ARG 18 13.579 -0.372 2.020
151 H TRP 19 H TRP 19 5.671 4.820 3.772
152 HA TRP 19 HA TRP 19 5.453 6.123 1.178
153 1HB TRP 19 2HB TRP 19 3.279 6.964 1.481
154 2HB TRP 19 1HB TRP 19 3.171 5.266 1.923
155 HD1 TRP 19 HD TRP 19 2.643 8.732 3.281
156 HE1 TRP 19 1HE TRP 19 1.745 8.580 5.692
157 HE3 TRP 19 3HE TRP 19 3.376 3.741 4.111
158 HZ2 TRP 19 2HZ TRP 19 1.395 6.604 7.678
159 HZ3 TRP 19 3HZ TRP 19 2.735 2.798 6.290
160 HH2 TRP 19 HH TRP 19 1.763 4.201 8.037
161 H ARG 20 H ARG 20 5.692 8.332 1.168
162 HA ARG 20 HA ARG 20 6.156 9.781 3.624
163 1HB ARG 20 2HB ARG 20 8.354 9.250 3.679
164 2HB ARG 20 1HB ARG 20 8.361 8.701 2.011
165 1HG ARG 20 2HG ARG 20 8.167 11.618 2.426
166 2HG ARG 20 1HG ARG 20 9.697 10.855 2.859
167 1HD ARG 20 2HD ARG 20 8.837 9.798 0.360
168 2HD ARG 20 1HD ARG 20 8.731 11.556 0.283
169 HE ARG 20 HE ARG 20 11.199 10.913 1.400
170 1HH1 ARG 20 1HH1 ARG 20 9.517 10.493 -1.623
171 2HH1 ARG 20 2HH1 ARG 20 10.962 10.518 -2.578
172 1HH2 ARG 20 1HH2 ARG 20 13.105 10.948 0.149
173 2HH2 ARG 20 2HH2 ARG 20 13.000 10.776 -1.571
174 HA PRO 21 HA PRO 21 4.486 13.052 1.173
175 1HB PRO 21 2HB PRO 21 6.316 14.813 2.725
176 2HB PRO 21 1HB PRO 21 4.564 14.919 2.510
177 1HG PRO 21 2HG PRO 21 5.564 14.063 4.812
178 2HG PRO 21 1HG PRO 21 4.140 13.279 4.099
179 1HD PRO 21 2HD PRO 21 6.982 12.361 4.118
180 2HD PRO 21 1HD PRO 21 5.496 11.424 4.366
181 H LYS 22 H LYS 22 5.182 13.029 -0.885
182 HA LYS 22 HA LYS 22 7.935 13.391 -1.602
183 1HB LYS 22 2HB LYS 22 6.368 11.956 -2.881
184 2HB LYS 22 1HB LYS 22 5.463 13.389 -3.333
185 1HG LYS 22 2HG LYS 22 6.762 13.094 -5.193
186 2HG LYS 22 1HG LYS 22 7.780 14.190 -4.257
187 1HD LYS 22 2HD LYS 22 8.486 11.659 -3.360
188 2HD LYS 22 1HD LYS 22 8.280 11.462 -5.102
189 1HE LYS 22 2HE LYS 22 10.587 12.063 -4.496
190 2HE LYS 22 1HE LYS 22 9.826 13.280 -5.519
191 1HZ LYS 22 1HZ LYS 22 9.386 13.859 -2.779
192 2HZ LYS 22 2HZ LYS 22 10.141 14.805 -3.961
193 3HZ LYS 22 3HZ LYS 22 11.042 13.680 -3.076
194 H ASN 23 H ASN 23 5.186 15.421 -1.158
195 HA ASN 23 HA ASN 23 6.406 17.643 -2.610
196 1HB ASN 23 2HB ASN 23 3.933 17.066 -2.788
197 2HB ASN 23 1HB ASN 23 3.771 17.664 -1.140
198 1HD2 ASN 23 1HD2 ASN 23 5.747 18.862 -3.813
199 2HD2 ASN 23 2HD2 ASN 23 5.022 20.428 -3.878
200 H SER 24 H SER 24 6.053 16.428 0.576
201 HA SER 24 HA SER 24 6.921 19.004 1.706
202 1HB SER 24 2HB SER 24 5.075 16.936 2.639
203 2HB SER 24 1HB SER 24 6.256 17.410 3.859
204 HG SER 24 HG SER 24 4.466 19.097 2.447
205 H VAL 25 H VAL 25 8.183 16.244 0.604
206 HA VAL 25 HA VAL 25 9.922 14.837 1.168
207 HB VAL 25 HB VAL 25 11.011 16.633 0.006
208 1HG1 VAL 25 1HG1 VAL 25 12.166 18.322 1.814
209 2HG1 VAL 25 2HG1 VAL 25 10.557 18.090 2.496
210 3HG1 VAL 25 3HG1 VAL 25 10.737 18.685 0.846
211 1HG2 VAL 25 1HG2 VAL 25 13.183 16.171 0.614
212 2HG2 VAL 25 2HG2 VAL 25 12.315 14.833 1.367
213 3HG2 VAL 25 3HG2 VAL 25 12.822 16.212 2.341
214 H GLY 26 H GLY 26 9.161 13.824 3.060
215 1HA GLY 26 2HA GLY 26 10.524 14.765 5.505
216 2HA GLY 26 1HA GLY 26 8.876 14.157 5.549
217 H ARG 27 H ARG 27 9.322 12.464 6.944
218 HA ARG 27 HA ARG 27 11.308 10.486 6.111
219 1HB ARG 27 2HB ARG 27 9.713 10.814 8.655
220 2HB ARG 27 1HB ARG 27 10.770 9.442 8.345
221 1HG ARG 27 2HG ARG 27 12.696 10.760 8.402
222 2HG ARG 27 1HG ARG 27 11.784 12.258 8.201
223 1HD ARG 27 2HD ARG 27 11.056 12.260 10.404
224 2HD ARG 27 1HD ARG 27 11.332 10.529 10.600
225 HE ARG 27 HE ARG 27 13.780 11.146 10.468
226 1HH1 ARG 27 1HH1 ARG 27 11.354 13.343 11.667
227 2HH1 ARG 27 2HH1 ARG 27 12.458 14.211 12.681
228 1HH2 ARG 27 1HH2 ARG 27 15.238 12.282 11.801
229 2HH2 ARG 27 2HH2 ARG 27 14.667 13.609 12.755
230 H TRP 28 H TRP 28 10.752 8.205 6.095
231 HA TRP 28 HA TRP 28 8.170 7.773 4.837
232 1HB TRP 28 2HB TRP 28 10.584 5.990 5.202
233 2HB TRP 28 1HB TRP 28 9.094 5.458 4.433
234 HD1 TRP 28 HD TRP 28 11.910 8.060 3.903
235 HE1 TRP 28 1HE TRP 28 12.101 8.516 1.377
236 HE3 TRP 28 3HE TRP 28 7.952 5.268 2.270
237 HZ2 TRP 28 2HZ TRP 28 10.755 7.788 -0.993
238 HZ3 TRP 28 3HZ TRP 28 7.469 5.203 -0.141
239 HH2 TRP 28 HH TRP 28 8.843 6.436 -1.738
240 H LYS 29 H LYS 29 7.150 5.544 5.362
241 HA LYS 29 HA LYS 29 7.262 4.864 8.194
242 1HB LYS 29 2HB LYS 29 5.064 6.341 6.933
243 2HB LYS 29 1HB LYS 29 4.537 4.882 7.761
244 1HG LYS 29 2HG LYS 29 5.685 5.661 9.800
245 2HG LYS 29 1HG LYS 29 6.113 7.152 8.959
246 1HD LYS 29 2HD LYS 29 3.916 7.898 8.899
247 2HD LYS 29 1HD LYS 29 3.255 6.276 9.113
248 1HE LYS 29 2HE LYS 29 3.001 6.793 11.264
249 2HE LYS 29 1HE LYS 29 4.755 6.684 11.398
250 1HZ LYS 29 1HZ LYS 29 3.479 8.828 12.131
251 2HZ LYS 29 2HZ LYS 29 3.581 9.209 10.486
252 3HZ LYS 29 3HZ LYS 29 4.990 8.938 11.381
253 H GLU 30 H GLU 30 6.255 2.771 8.636
254 HA GLU 30 HA GLU 30 5.874 1.199 6.174
255 1HB GLU 30 2HB GLU 30 7.211 0.244 8.705
256 2HB GLU 30 1HB GLU 30 6.994 -0.683 7.227
257 1HG GLU 30 2HG GLU 30 8.691 0.355 6.158
258 2HG GLU 30 1HG GLU 30 8.411 1.893 6.970
259 H ALA 31 H ALA 31 4.302 -0.281 6.089
260 HA ALA 31 HA ALA 31 2.715 -0.881 8.473
261 1HB ALA 31 1HB ALA 31 0.709 -0.126 7.648
262 2HB ALA 31 2HB ALA 31 1.232 -0.245 5.967
263 3HB ALA 31 3HB ALA 31 1.799 1.087 6.975
264 H THR 32 H THR 32 2.830 -3.042 8.583
265 HA THR 32 HA THR 32 3.135 -4.594 6.148
266 HB THR 32 HB THR 32 2.960 -6.041 8.708
267 HG1 THR 32 1HG THR 32 4.673 -3.875 8.321
268 1HG2 THR 32 1HG2 THR 32 4.920 -7.170 7.805
269 2HG2 THR 32 2HG2 THR 32 5.022 -5.985 6.502
270 3HG2 THR 32 3HG2 THR 32 3.648 -7.088 6.586
271 H ILE 33 H ILE 33 1.621 -5.718 5.183
272 HA ILE 33 HA ILE 33 -0.770 -6.565 6.657
273 HB ILE 33 HB ILE 33 -1.161 -5.614 3.860
274 1HG1 ILE 33 2HG1 ILE 33 -1.604 -3.593 5.993
275 2HG1 ILE 33 1HG1 ILE 33 0.063 -3.858 5.487
276 1HG2 ILE 33 1HG2 ILE 33 -2.885 -5.572 6.333
277 2HG2 ILE 33 2HG2 ILE 33 -2.958 -6.753 5.025
278 3HG2 ILE 33 3HG2 ILE 33 -3.391 -5.072 4.720
279 1HD1 ILE 33 1HD1 ILE 33 -0.636 -2.134 4.122
280 2HD1 ILE 33 2HD1 ILE 33 -2.247 -2.818 3.909
281 3HD1 ILE 33 3HD1 ILE 33 -0.864 -3.552 3.099
282 HA PRO 34 HA PRO 34 0.833 -10.219 4.511
283 1HB PRO 34 2HB PRO 34 -1.317 -11.569 6.011
284 2HB PRO 34 1HB PRO 34 0.422 -11.884 5.999
285 1HG PRO 34 2HG PRO 34 -0.780 -10.753 8.113
286 2HG PRO 34 1HG PRO 34 0.858 -10.291 7.615
287 1HD PRO 34 2HD PRO 34 -1.738 -8.872 7.145
288 2HD PRO 34 1HD PRO 34 -0.155 -8.203 7.591
289 H GLY 35 H GLY 35 0.051 -9.618 2.450
290 1HA GLY 35 2HA GLY 35 -1.179 -10.072 0.561
291 2HA GLY 35 1HA GLY 35 -2.076 -11.255 1.500
292 H HIS 36 H HIS 36 -4.024 -10.646 0.508
293 HA HIS 36 HA HIS 36 -5.002 -7.956 1.181
294 1HB HIS 36 2HB HIS 36 -4.974 -8.913 -1.252
295 2HB HIS 36 1HB HIS 36 -6.400 -9.802 -0.728
296 HD2 HIS 36 2HD HIS 36 -6.702 -6.542 0.991
297 HE1 HIS 36 1HE HIS 36 -8.465 -5.970 -2.813
298 HE2 HIS 36 2HE HIS 36 -8.050 -4.935 -0.536
299 H LEU 37 H LEU 37 -5.254 -8.900 3.406
300 HA LEU 37 HA LEU 37 -7.243 -10.870 3.894
301 1HB LEU 37 2HB LEU 37 -7.170 -9.759 6.255
302 2HB LEU 37 1HB LEU 37 -5.802 -10.688 5.674
303 HG LEU 37 HG LEU 37 -5.713 -7.792 5.095
304 1HD1 LEU 37 1HD1 LEU 37 -6.392 -8.642 7.695
305 2HD1 LEU 37 2HD1 LEU 37 -5.912 -7.030 7.166
306 3HD1 LEU 37 3HD1 LEU 37 -4.692 -8.173 7.729
307 1HD2 LEU 37 1HD2 LEU 37 -3.718 -9.759 6.209
308 2HD2 LEU 37 2HD2 LEU 37 -3.371 -8.113 5.682
309 3HD2 LEU 37 3HD2 LEU 37 -3.894 -9.322 4.510
310 H ASN 38 H ASN 38 -7.280 -7.400 3.541
311 HA ASN 38 HA ASN 38 -10.071 -7.328 3.080
312 1HB ASN 38 2HB ASN 38 -10.911 -6.269 5.000
313 2HB ASN 38 1HB ASN 38 -9.878 -7.541 5.643
314 1HD2 ASN 38 1HD2 ASN 38 -10.731 -4.447 6.047
315 2HD2 ASN 38 2HD2 ASN 38 -9.298 -3.820 6.780
316 H SER 39 H SER 39 -10.799 -4.845 3.251
317 HA SER 39 HA SER 39 -9.034 -3.456 1.466
318 1HB SER 39 2HB SER 39 -11.582 -2.467 2.769
319 2HB SER 39 1HB SER 39 -10.783 -1.767 1.361
320 HG SER 39 HG SER 39 -11.382 -3.482 0.152
321 H TYR 40 H TYR 40 -7.239 -2.564 2.279
322 HA TYR 40 HA TYR 40 -7.508 -0.874 4.678
323 1HB TYR 40 2HB TYR 40 -6.098 -3.104 4.767
324 2HB TYR 40 1HB TYR 40 -4.879 -2.115 3.970
325 HD1 TYR 40 1HD TYR 40 -6.247 -3.094 7.081
326 HD2 TYR 40 2HD TYR 40 -4.320 0.157 5.125
327 HE1 TYR 40 1HE TYR 40 -5.568 -2.190 9.265
328 HE2 TYR 40 2HE TYR 40 -3.636 1.070 7.303
329 HH TYR 40 HH TYR 40 -3.239 0.200 9.621
330 H THR 41 H THR 41 -7.366 1.189 4.109
331 HA THR 41 HA THR 41 -5.332 1.957 2.122
332 HB THR 41 HB THR 41 -8.052 3.248 2.392
333 HG1 THR 41 1HG THR 41 -8.705 1.785 1.018
334 1HG2 THR 41 1HG2 THR 41 -7.205 4.913 1.182
335 2HG2 THR 41 2HG2 THR 41 -6.749 3.772 -0.083
336 3HG2 THR 41 3HG2 THR 41 -5.622 4.139 1.224
337 H ILE 42 H ILE 42 -3.945 3.459 2.798
338 HA ILE 42 HA ILE 42 -4.303 4.660 5.407
339 HB ILE 42 HB ILE 42 -2.036 4.642 3.429
340 1HG1 ILE 42 2HG1 ILE 42 -1.748 3.914 6.294
341 2HG1 ILE 42 1HG1 ILE 42 -2.708 2.831 5.291
342 1HG2 ILE 42 1HG2 ILE 42 -2.128 6.206 6.007
343 2HG2 ILE 42 2HG2 ILE 42 -2.139 6.896 4.384
344 3HG2 ILE 42 3HG2 ILE 42 -0.724 6.011 4.957
345 1HD1 ILE 42 1HD1 ILE 42 -0.396 3.366 3.821
346 2HD1 ILE 42 2HD1 ILE 42 -0.825 1.872 4.652
347 3HD1 ILE 42 3HD1 ILE 42 0.136 3.098 5.481
348 H LYS 43 H LYS 43 -5.156 6.600 5.753
349 HA LYS 43 HA LYS 43 -5.157 8.546 3.542
350 1HB LYS 43 2HB LYS 43 -7.359 7.577 5.262
351 2HB LYS 43 1HB LYS 43 -7.320 9.312 4.975
352 1HG LYS 43 2HG LYS 43 -8.126 9.067 2.926
353 2HG LYS 43 1HG LYS 43 -6.912 7.851 2.524
354 1HD LYS 43 2HD LYS 43 -8.688 6.470 2.397
355 2HD LYS 43 1HD LYS 43 -8.546 6.431 4.156
356 1HE LYS 43 2HE LYS 43 -10.056 8.729 3.287
357 2HE LYS 43 1HE LYS 43 -10.755 7.239 2.655
358 1HZ LYS 43 1HZ LYS 43 -10.036 7.553 5.508
359 2HZ LYS 43 2HZ LYS 43 -11.045 6.393 4.806
360 3HZ LYS 43 3HZ LYS 43 -11.554 8.002 4.908
361 H GLY 44 H GLY 44 -6.414 10.587 5.154
362 1HA GLY 44 2HA GLY 44 -5.957 11.980 7.012
363 2HA GLY 44 1HA GLY 44 -4.486 11.064 7.304
364 H LEU 45 H LEU 45 -4.990 11.882 4.051
365 HA LEU 45 HA LEU 45 -2.907 13.935 4.239
366 1HB LEU 45 2HB LEU 45 -3.675 12.925 1.570
367 2HB LEU 45 1HB LEU 45 -2.086 13.194 2.266
368 HG LEU 45 HG LEU 45 -2.821 11.052 3.711
369 1HD1 LEU 45 1HD1 LEU 45 -3.965 9.445 2.312
370 2HD1 LEU 45 2HD1 LEU 45 -4.145 10.649 1.035
371 3HD1 LEU 45 3HD1 LEU 45 -4.985 10.859 2.571
372 1HD2 LEU 45 1HD2 LEU 45 -0.766 11.314 2.402
373 2HD2 LEU 45 2HD2 LEU 45 -1.662 10.923 0.934
374 3HD2 LEU 45 3HD2 LEU 45 -1.480 9.713 2.205
375 H LYS 46 H LYS 46 -3.312 15.239 1.798
376 HA LYS 46 HA LYS 46 -6.042 16.286 1.874
377 1HB LYS 46 2HB LYS 46 -5.283 18.594 2.104
378 2HB LYS 46 1HB LYS 46 -4.764 17.641 3.487
379 1HG LYS 46 2HG LYS 46 -2.651 18.162 3.109
380 2HG LYS 46 1HG LYS 46 -2.748 17.592 1.447
381 1HD LYS 46 2HD LYS 46 -2.397 19.724 0.908
382 2HD LYS 46 1HD LYS 46 -4.087 19.969 1.344
383 1HE LYS 46 2HE LYS 46 -1.891 20.149 3.379
384 2HE LYS 46 1HE LYS 46 -2.333 21.532 2.377
385 1HZ LYS 46 1HZ LYS 46 -3.650 21.843 4.208
386 2HZ LYS 46 2HZ LYS 46 -3.887 20.190 4.478
387 3HZ LYS 46 3HZ LYS 46 -4.709 20.967 3.220
388 HA PRO 47 HA PRO 47 -5.559 16.754 -2.480
389 1HB PRO 47 2HB PRO 47 -6.828 19.098 -3.024
390 2HB PRO 47 1HB PRO 47 -7.684 17.610 -2.606
391 1HG PRO 47 2HG PRO 47 -6.993 19.949 -0.872
392 2HG PRO 47 1HG PRO 47 -8.503 19.023 -0.954
393 1HD PRO 47 2HD PRO 47 -6.669 18.627 0.991
394 2HD PRO 47 1HD PRO 47 -7.675 17.311 0.352
395 H GLY 48 H GLY 48 -4.222 17.618 -4.020
396 1HA GLY 48 2HA GLY 48 -2.789 19.180 -4.999
397 2HA GLY 48 1HA GLY 48 -2.933 20.180 -3.565
398 H VAL 49 H VAL 49 -2.288 17.137 -2.464
399 HA VAL 49 HA VAL 49 0.619 17.626 -2.549
400 HB VAL 49 HB VAL 49 -0.492 18.010 -0.292
401 1HG1 VAL 49 1HG1 VAL 49 -1.269 16.252 0.993
402 2HG1 VAL 49 2HG1 VAL 49 -0.462 15.037 0.001
403 3HG1 VAL 49 3HG1 VAL 49 -1.898 15.859 -0.607
404 1HG2 VAL 49 1HG2 VAL 49 1.326 16.586 0.875
405 2HG2 VAL 49 2HG2 VAL 49 1.824 17.850 -0.251
406 3HG2 VAL 49 3HG2 VAL 49 1.815 16.162 -0.766
407 H VAL 50 H VAL 50 1.954 15.953 -2.997
408 HA VAL 50 HA VAL 50 0.652 13.371 -3.548
409 HB VAL 50 HB VAL 50 2.249 15.000 -5.257
410 1HG1 VAL 50 1HG1 VAL 50 3.828 13.147 -6.020
411 2HG1 VAL 50 2HG1 VAL 50 3.575 12.441 -4.423
412 3HG1 VAL 50 3HG1 VAL 50 4.278 14.053 -4.576
413 1HG2 VAL 50 1HG2 VAL 50 0.235 13.486 -5.705
414 2HG2 VAL 50 2HG2 VAL 50 1.417 12.178 -5.822
415 3HG2 VAL 50 3HG2 VAL 50 1.503 13.550 -6.930
416 H TYR 51 H TYR 51 1.358 11.628 -2.507
417 HA TYR 51 HA TYR 51 3.819 11.859 -0.908
418 1HB TYR 51 2HB TYR 51 1.335 10.153 -0.555
419 2HB TYR 51 1HB TYR 51 2.855 9.737 0.226
420 HD1 TYR 51 1HD TYR 51 0.415 12.532 -0.093
421 HD2 TYR 51 2HD TYR 51 3.390 10.642 2.285
422 HE1 TYR 51 1HE TYR 51 -0.128 14.038 1.775
423 HE2 TYR 51 2HE TYR 51 2.870 12.146 4.153
424 HH TYR 51 HH TYR 51 1.633 14.781 4.107
425 H GLU 52 H GLU 52 4.648 9.361 -0.596
426 HA GLU 52 HA GLU 52 4.766 8.262 -3.339
427 1HB GLU 52 2HB GLU 52 6.937 9.068 -1.528
428 2HB GLU 52 1HB GLU 52 7.128 7.442 -2.165
429 1HG GLU 52 2HG GLU 52 6.578 9.807 -3.925
430 2HG GLU 52 1HG GLU 52 8.209 9.316 -3.468
431 H GLY 53 H GLY 53 4.247 6.131 -3.490
432 1HA GLY 53 2HA GLY 53 4.092 4.626 -0.950
433 2HA GLY 53 1HA GLY 53 2.883 4.488 -2.214
434 H GLN 54 H GLN 54 5.135 2.774 -0.820
435 HA GLN 54 HA GLN 54 5.814 1.324 -3.281
436 1HB GLN 54 2HB GLN 54 7.770 1.614 -1.007
437 2HB GLN 54 1HB GLN 54 8.069 0.983 -2.620
438 1HG GLN 54 2HG GLN 54 7.220 3.518 -3.156
439 2HG GLN 54 1HG GLN 54 8.090 3.732 -1.638
440 1HE2 GLN 54 1HE2 GLN 54 9.997 1.691 -2.003
441 2HE2 GLN 54 2HE2 GLN 54 11.075 2.184 -3.261
442 H LEU 55 H LEU 55 4.871 -0.626 -3.116
443 HA LEU 55 HA LEU 55 4.595 -1.813 -0.446
444 1HB LEU 55 2HB LEU 55 2.941 -1.792 -2.824
445 2HB LEU 55 1HB LEU 55 3.230 -3.426 -2.263
446 HG LEU 55 HG LEU 55 2.020 -1.178 -0.651
447 1HD1 LEU 55 1HD1 LEU 55 0.486 -3.614 -0.988
448 2HD1 LEU 55 2HD1 LEU 55 0.847 -2.828 -2.526
449 3HD1 LEU 55 3HD1 LEU 55 0.016 -1.935 -1.252
450 1HD2 LEU 55 1HD2 LEU 55 2.661 -2.301 1.156
451 2HD2 LEU 55 2HD2 LEU 55 3.326 -3.608 0.177
452 3HD2 LEU 55 3HD2 LEU 55 1.621 -3.626 0.633
453 H ILE 56 H ILE 56 6.289 -3.015 0.059
454 HA ILE 56 HA ILE 56 7.439 -4.788 -1.981
455 HB ILE 56 HB ILE 56 8.645 -3.684 0.558
456 1HG1 ILE 56 2HG1 ILE 56 10.373 -2.911 -1.242
457 2HG1 ILE 56 1HG1 ILE 56 9.060 -3.191 -2.382
458 1HG2 ILE 56 1HG2 ILE 56 9.260 -6.071 0.112
459 2HG2 ILE 56 2HG2 ILE 56 10.619 -4.946 0.129
460 3HG2 ILE 56 3HG2 ILE 56 9.981 -5.535 -1.406
461 1HD1 ILE 56 1HD1 ILE 56 8.872 -1.376 0.013
462 2HD1 ILE 56 2HD1 ILE 56 7.693 -1.558 -1.285
463 3HD1 ILE 56 3HD1 ILE 56 9.268 -0.842 -1.620
464 H SER 57 H SER 57 6.842 -6.866 -1.820
465 HA SER 57 HA SER 57 5.644 -7.848 0.609
466 1HB SER 57 2HB SER 57 5.710 -8.667 -2.173
467 2HB SER 57 1HB SER 57 5.978 -10.029 -1.088
468 HG SER 57 HG SER 57 3.784 -9.794 -1.362
469 H ILE 58 H ILE 58 6.412 -9.303 1.962
470 HA ILE 58 HA ILE 58 9.220 -10.113 1.727
471 HB ILE 58 HB ILE 58 7.775 -9.638 4.324
472 1HG1 ILE 58 2HG1 ILE 58 9.736 -7.814 2.910
473 2HG1 ILE 58 1HG1 ILE 58 7.998 -7.542 2.996
474 1HG2 ILE 58 1HG2 ILE 58 10.661 -9.446 4.315
475 2HG2 ILE 58 2HG2 ILE 58 10.107 -11.012 3.718
476 3HG2 ILE 58 3HG2 ILE 58 9.601 -10.445 5.310
477 1HD1 ILE 58 1HD1 ILE 58 9.914 -6.620 4.761
478 2HD1 ILE 58 2HD1 ILE 58 9.139 -7.953 5.617
479 3HD1 ILE 58 3HD1 ILE 58 8.167 -6.615 5.002
480 H GLN 59 H GLN 59 9.705 -12.224 1.931
481 HA GLN 59 HA GLN 59 7.575 -14.080 2.703
482 1HB GLN 59 2HB GLN 59 9.794 -14.201 0.746
483 2HB GLN 59 1HB GLN 59 9.434 -15.679 1.613
484 1HG GLN 59 2HG GLN 59 7.195 -14.183 0.391
485 2HG GLN 59 1HG GLN 59 8.272 -15.091 -0.669
486 1HE2 GLN 59 1HE2 GLN 59 6.625 -15.560 2.446
487 2HE2 GLN 59 2HE2 GLN 59 6.063 -17.157 2.100
488 H GLN 60 H GLN 60 8.928 -16.282 3.342
489 HA GLN 60 HA GLN 60 9.788 -15.820 5.965
490 1HB GLN 60 2HB GLN 60 10.787 -18.229 5.633
491 2HB GLN 60 1HB GLN 60 9.047 -17.981 5.662
492 1HG GLN 60 2HG GLN 60 8.793 -18.529 3.494
493 2HG GLN 60 1HG GLN 60 10.319 -17.788 3.015
494 1HE2 GLN 60 1HE2 GLN 60 10.184 -19.882 1.721
495 2HE2 GLN 60 2HE2 GLN 60 10.961 -21.257 2.422
496 H TYR 61 H TYR 61 11.528 -15.740 2.954
497 HA TYR 61 HA TYR 61 14.080 -15.671 4.406
498 1HB TYR 61 2HB TYR 61 15.010 -15.729 1.973
499 2HB TYR 61 1HB TYR 61 14.380 -17.201 2.698
500 HD1 TYR 61 1HD TYR 61 13.908 -14.681 0.115
501 HD2 TYR 61 2HD TYR 61 12.221 -18.122 1.964
502 HE1 TYR 61 1HE TYR 61 12.382 -14.949 -1.791
503 HE2 TYR 61 2HE TYR 61 10.687 -18.398 0.061
504 HH TYR 61 HH TYR 61 11.059 -16.674 -2.864
505 H GLY 62 H GLY 62 11.790 -13.570 3.250
506 1HA GLY 62 2HA GLY 62 11.867 -11.248 3.306
507 2HA GLY 62 1HA GLY 62 13.602 -11.339 3.531
508 H HIS 63 H HIS 63 12.154 -9.524 1.866
509 HA HIS 63 HA HIS 63 12.309 -8.524 -0.164
510 1HB HIS 63 2HB HIS 63 14.491 -10.490 -0.845
511 2HB HIS 63 1HB HIS 63 14.268 -8.860 -1.471
512 HD2 HIS 63 2HD HIS 63 16.425 -10.599 0.974
513 HE1 HIS 63 1HE HIS 63 16.105 -6.623 2.389
514 HE2 HIS 63 2HE HIS 63 17.480 -8.752 2.459
515 H GLN 64 H GLN 64 10.356 -9.050 -1.092
516 HA GLN 64 HA GLN 64 10.393 -11.385 -2.874
517 1HB GLN 64 2HB GLN 64 7.964 -10.318 -1.467
518 2HB GLN 64 1HB GLN 64 8.032 -11.722 -2.523
519 1HG GLN 64 2HG GLN 64 9.001 -11.391 0.260
520 2HG GLN 64 1HG GLN 64 8.076 -12.702 -0.466
521 1HE2 GLN 64 1HE2 GLN 64 9.556 -13.442 -2.574
522 2HE2 GLN 64 2HE2 GLN 64 11.103 -14.011 -2.062
523 H GLU 65 H GLU 65 7.783 -9.112 -2.595
524 HA GLU 65 HA GLU 65 8.091 -8.400 -5.411
525 1HB GLU 65 2HB GLU 65 5.934 -9.268 -4.095
526 2HB GLU 65 1HB GLU 65 5.737 -7.545 -3.808
527 1HG GLU 65 2HG GLU 65 4.970 -7.215 -5.860
528 2HG GLU 65 1HG GLU 65 6.352 -8.045 -6.575
529 H VAL 66 H VAL 66 8.147 -6.291 -6.156
530 HA VAL 66 HA VAL 66 8.293 -4.145 -4.158
531 HB VAL 66 HB VAL 66 10.253 -4.391 -6.440
532 1HG1 VAL 66 1HG1 VAL 66 9.532 -2.097 -5.549
533 2HG1 VAL 66 2HG1 VAL 66 11.259 -2.438 -5.652
534 3HG1 VAL 66 3HG1 VAL 66 10.435 -2.531 -4.097
535 1HG2 VAL 66 1HG2 VAL 66 11.882 -4.613 -4.427
536 2HG2 VAL 66 2HG2 VAL 66 11.004 -6.033 -4.997
537 3HG2 VAL 66 3HG2 VAL 66 10.449 -5.171 -3.562
538 H THR 67 H THR 67 6.729 -2.744 -4.664
539 HA THR 67 HA THR 67 6.315 -2.094 -7.506
540 HB THR 67 HB THR 67 3.927 -1.875 -5.798
541 HG1 THR 67 1HG THR 67 4.954 -3.914 -5.152
542 1HG2 THR 67 1HG2 THR 67 2.935 -2.987 -7.841
543 2HG2 THR 67 2HG2 THR 67 4.544 -2.906 -8.561
544 3HG2 THR 67 3HG2 THR 67 3.699 -1.422 -8.120
545 H ARG 68 H ARG 68 6.173 0.009 -8.001
546 HA ARG 68 HA ARG 68 6.174 1.938 -5.778
547 1HB ARG 68 2HB ARG 68 7.169 2.600 -8.525
548 2HB ARG 68 1HB ARG 68 7.623 3.305 -6.979
549 1HG ARG 68 2HG ARG 68 9.407 2.000 -6.957
550 2HG ARG 68 1HG ARG 68 8.345 0.599 -6.837
551 1HD ARG 68 2HD ARG 68 8.184 1.073 -9.477
552 2HD ARG 68 1HD ARG 68 9.806 1.687 -9.163
553 HE ARG 68 HE ARG 68 9.177 -0.966 -8.142
554 1HH1 ARG 68 1HH1 ARG 68 10.690 0.976 -10.610
555 2HH1 ARG 68 2HH1 ARG 68 11.714 -0.304 -11.169
556 1HH2 ARG 68 1HH2 ARG 68 10.524 -2.655 -8.872
557 2HH2 ARG 68 2HH2 ARG 68 11.620 -2.366 -10.183
558 H PHE 69 H PHE 69 4.540 3.333 -5.639
559 HA PHE 69 HA PHE 69 2.954 3.941 -8.021
560 1HB PHE 69 2HB PHE 69 0.985 3.914 -6.181
561 2HB PHE 69 1HB PHE 69 1.365 2.546 -7.218
562 HD1 PHE 69 1HD PHE 69 1.215 3.781 -3.847
563 HD2 PHE 69 2HD PHE 69 2.804 0.703 -6.318
564 HE1 PHE 69 1HE PHE 69 1.589 2.384 -1.858
565 HE2 PHE 69 2HE PHE 69 3.186 -0.696 -4.335
566 HZ PHE 69 HZ PHE 69 2.576 0.142 -2.100
567 H ASP 70 H ASP 70 1.578 5.820 -7.810
568 HA ASP 70 HA ASP 70 2.934 7.885 -6.255
569 1HB ASP 70 2HB ASP 70 0.692 8.580 -8.083
570 2HB ASP 70 1HB ASP 70 2.232 9.397 -7.831
571 H PHE 71 H PHE 71 1.805 9.311 -4.920
572 HA PHE 71 HA PHE 71 -0.689 8.230 -3.819
573 1HB PHE 71 2HB PHE 71 1.828 8.669 -2.768
574 2HB PHE 71 1HB PHE 71 0.857 10.001 -2.144
575 HD1 PHE 71 1HD PHE 71 1.551 6.521 -2.093
576 HD2 PHE 71 2HD PHE 71 -1.099 9.543 -0.759
577 HE1 PHE 71 1HE PHE 71 0.726 4.993 -0.318
578 HE2 PHE 71 2HE PHE 71 -1.944 8.048 1.016
579 HZ PHE 71 HZ PHE 71 -1.019 5.781 1.234
580 H THR 72 H THR 72 -2.358 9.551 -3.384
581 HA THR 72 HA THR 72 -2.072 12.396 -3.292
582 HB THR 72 HB THR 72 -4.153 12.528 -4.944
583 HG1 THR 72 1HG THR 72 -4.035 11.024 -6.566
584 1HG2 THR 72 1HG2 THR 72 -1.758 12.368 -6.567
585 2HG2 THR 72 2HG2 THR 72 -1.454 13.200 -5.040
586 3HG2 THR 72 3HG2 THR 72 -2.724 13.775 -6.123
587 H THR 73 H THR 73 -4.284 13.421 -2.801
588 HA THR 73 HA THR 73 -5.738 11.546 -1.061
589 HB THR 73 HB THR 73 -5.941 14.470 -0.591
590 HG1 THR 73 1HG THR 73 -3.950 14.423 0.534
591 1HG2 THR 73 1HG2 THR 73 -6.971 13.624 1.200
592 2HG2 THR 73 2HG2 THR 73 -5.399 13.042 1.750
593 3HG2 THR 73 3HG2 THR 73 -6.444 11.989 0.796
594 H THR 74 H THR 74 -7.159 14.609 -1.268
595 HA THR 74 HA THR 74 -9.433 13.490 -2.665
596 HB THR 74 HB THR 74 -10.706 15.127 -1.731
597 HG1 THR 74 1HG THR 74 -9.532 17.266 -1.204
598 1HG2 THR 74 1HG2 THR 74 -10.089 15.503 0.487
599 2HG2 THR 74 2HG2 THR 74 -8.377 15.660 0.092
600 3HG2 THR 74 3HG2 THR 74 -9.151 14.075 0.050
601 H SER 75 H SER 75 -6.727 14.412 -3.884
602 HA SER 75 HA SER 75 -7.813 16.197 -5.950
603 1HB SER 75 2HB SER 75 -5.647 16.978 -6.347
604 2HB SER 75 1HB SER 75 -5.638 16.711 -4.603
605 HG SER 75 HG SER 75 -4.628 14.954 -6.594
606 H THR 76 H THR 76 -7.546 15.706 -8.151
607 HA THR 76 HA THR 76 -7.351 12.840 -8.695
608 HB THR 76 HB THR 76 -7.959 14.371 -11.046
609 HG1 THR 76 1HG THR 76 -9.505 14.971 -8.726
610 1HG2 THR 76 1HG2 THR 76 -10.196 12.986 -9.824
611 2HG2 THR 76 2HG2 THR 76 -8.734 11.999 -9.821
612 3HG2 THR 76 3HG2 THR 76 -9.356 12.650 -11.338
613 H SER 77 H SER 77 -5.276 12.239 -8.958
614 HA SER 77 HA SER 77 -3.822 13.375 -11.202
615 1HB SER 77 2HB SER 77 -2.196 13.023 -8.728
616 2HB SER 77 1HB SER 77 -1.984 14.152 -10.066
617 HG SER 77 HG SER 77 -3.636 15.411 -9.232
618 H THR 78 H THR 78 -2.015 11.601 -8.864
619 HA THR 78 HA THR 78 -0.925 9.600 -9.046
620 HB THR 78 HB THR 78 -2.870 7.776 -9.775
621 HG1 THR 78 1HG THR 78 -4.684 8.655 -8.437
622 1HG2 THR 78 1HG2 THR 78 -3.227 8.154 -7.045
623 2HG2 THR 78 2HG2 THR 78 -1.586 8.722 -7.353
624 3HG2 THR 78 3HG2 THR 78 -2.054 7.085 -7.814
625 HA PRO 79 HA PRO 79 -0.866 9.576 -13.723
626 1HB PRO 79 2HB PRO 79 1.562 10.654 -14.114
627 2HB PRO 79 1HB PRO 79 0.132 11.659 -13.846
628 1HG PRO 79 2HG PRO 79 2.278 10.865 -11.914
629 2HG PRO 79 1HG PRO 79 1.508 12.446 -12.143
630 1HD PRO 79 2HD PRO 79 0.814 10.691 -10.161
631 2HD PRO 79 1HD PRO 79 -0.301 11.886 -10.852
632 H GLY 80 H GLY 80 -0.524 7.516 -14.294
633 1HA GLY 80 2HA GLY 80 2.061 6.409 -14.465
634 2HA GLY 80 1HA GLY 80 1.252 5.737 -13.056
635 H SER 81 H SER 81 -0.428 6.672 -15.982
636 HA SER 81 HA SER 81 -1.752 5.491 -17.406
637 1HB SER 81 2HB SER 81 0.419 3.395 -17.155
638 2HB SER 81 1HB SER 81 -0.733 3.559 -18.480
639 HG SER 81 HG SER 81 1.626 4.694 -18.266
640 H ARG 82 H ARG 82 -3.142 5.368 -15.383
641 HA ARG 82 HA ARG 82 -3.582 2.551 -14.639
642 1HB ARG 82 2HB ARG 82 -2.971 4.408 -12.875
643 2HB ARG 82 1HB ARG 82 -4.674 4.818 -13.022
644 1HG ARG 82 2HG ARG 82 -5.138 3.235 -11.551
645 2HG ARG 82 1HG ARG 82 -4.565 2.031 -12.707
646 1HD ARG 82 2HD ARG 82 -2.512 1.849 -11.710
647 2HD ARG 82 1HD ARG 82 -2.553 3.493 -11.076
648 HE ARG 82 HE ARG 82 -4.515 1.812 -9.861
649 1HH1 ARG 82 1HH1 ARG 82 -1.141 2.689 -9.807
650 2HH1 ARG 82 2HH1 ARG 82 -0.923 2.250 -8.146
651 1HH2 ARG 82 1HH2 ARG 82 -4.235 1.234 -7.675
652 2HH2 ARG 82 2HH2 ARG 82 -2.681 1.422 -6.934
653 H SER 83 H SER 83 -4.600 3.835 -17.019
654 HA SER 83 HA SER 83 -7.336 3.061 -16.793
655 1HB SER 83 2HB SER 83 -6.656 5.882 -16.480
656 2HB SER 83 1HB SER 83 -7.776 5.604 -17.812
657 HG SER 83 HG SER 83 -8.392 4.189 -15.549
658 H HIS 84 H HIS 84 -6.633 1.676 -18.466
659 HA HIS 84 HA HIS 84 -7.042 2.719 -21.088
660 1HB HIS 84 2HB HIS 84 -4.832 2.070 -22.016
661 2HB HIS 84 1HB HIS 84 -4.728 3.411 -20.881
662 HD2 HIS 84 2HD HIS 84 -3.507 2.803 -18.414
663 HE1 HIS 84 1HE HIS 84 -1.941 -0.883 -19.781
664 HE2 HIS 84 2HE HIS 84 -1.735 0.946 -18.037
665 H HIS 85 H HIS 85 -7.987 0.615 -19.242
666 HA HIS 85 HA HIS 85 -7.563 -1.710 -21.003
667 1HB HIS 85 2HB HIS 85 -8.324 -2.962 -18.793
668 2HB HIS 85 1HB HIS 85 -6.641 -2.522 -19.064
669 HD2 HIS 85 2HD HIS 85 -5.719 -0.324 -17.545
670 HE1 HIS 85 1HE HIS 85 -9.017 -0.435 -14.895
671 HE2 HIS 85 2HE HIS 85 -6.780 0.652 -15.388
672 H HIS 86 H HIS 86 -9.361 -3.059 -21.401
673 HA HIS 86 HA HIS 86 -11.877 -1.623 -21.390
674 1HB HIS 86 2HB HIS 86 -12.659 -3.293 -22.920
675 2HB HIS 86 1HB HIS 86 -11.019 -2.868 -23.398
676 HD2 HIS 86 2HD HIS 86 -13.065 -5.922 -22.901
677 HE1 HIS 86 1HE HIS 86 -9.061 -7.108 -22.221
678 HE2 HIS 86 2HE HIS 86 -11.453 -7.908 -22.469
679 H HIS 87 H HIS 87 -13.857 -2.514 -20.629
680 HA HIS 87 HA HIS 87 -15.222 -3.502 -19.109
681 1HB HIS 87 2HB HIS 87 -14.038 -5.579 -20.169
682 2HB HIS 87 1HB HIS 87 -13.212 -5.671 -18.616
683 HD2 HIS 87 2HD HIS 87 -16.823 -6.019 -20.079
684 HE1 HIS 87 1HE HIS 87 -16.707 -7.649 -16.175
685 HE2 HIS 87 2HE HIS 87 -18.048 -7.480 -18.320
686 H HIS 88 H HIS 88 -15.545 -3.774 -16.842
687 HA HIS 88 HA HIS 88 -13.278 -2.887 -15.184
688 1HB HIS 88 2HB HIS 88 -16.109 -1.881 -15.246
689 2HB HIS 88 1HB HIS 88 -15.140 -1.744 -13.782
690 HD2 HIS 88 2HD HIS 88 -15.694 0.036 -17.102
691 HE1 HIS 88 1HE HIS 88 -12.261 1.734 -15.301
692 HE2 HIS 88 2HE HIS 88 -13.860 1.862 -17.263
693 H HIS 89 H HIS 89 -13.484 -3.438 -12.889
694 HA HIS 89 HA HIS 89 -13.720 -4.967 -11.223
695 1HB HIS 89 2HB HIS 89 -16.433 -5.062 -12.513
696 2HB HIS 89 1HB HIS 89 -16.043 -6.117 -11.159
697 HD2 HIS 89 2HD HIS 89 -17.755 -4.816 -9.429
698 HE1 HIS 89 1HE HIS 89 -15.678 -1.129 -9.529
699 HE2 HIS 89 2HE HIS 89 -17.388 -2.520 -8.276
Start of MODEL 2
1 1H MET 1 1HT MET 1 0.469 -19.865 17.399
2 2H MET 1 2HT MET 1 1.351 -18.887 18.459
3 3H MET 1 3HT MET 1 0.898 -20.447 18.928
4 HA MET 1 HA MET 1 3.182 -19.588 17.468
5 1HB MET 1 2HB MET 1 2.818 -21.119 19.552
6 2HB MET 1 1HB MET 1 2.551 -22.384 18.361
7 1HG MET 1 2HG MET 1 4.812 -21.590 17.381
8 2HG MET 1 1HG MET 1 5.039 -20.850 18.964
9 1HE MET 1 1HE MET 1 5.739 -24.265 17.050
10 2HE MET 1 2HE MET 1 4.007 -23.932 17.084
11 3HE MET 1 3HE MET 1 4.660 -25.296 17.991
12 H ARG 2 H ARG 2 3.258 -19.553 15.311
13 HA ARG 2 HA ARG 2 1.827 -21.621 13.799
14 1HB ARG 2 2HB ARG 2 1.541 -19.095 13.351
15 2HB ARG 2 1HB ARG 2 3.130 -19.189 12.601
16 1HG ARG 2 2HG ARG 2 1.895 -19.563 10.753
17 2HG ARG 2 1HG ARG 2 1.941 -21.226 11.342
18 1HD ARG 2 2HD ARG 2 -0.270 -21.240 11.512
19 2HD ARG 2 1HD ARG 2 -0.204 -19.883 12.634
20 HE ARG 2 HE ARG 2 -0.465 -18.400 10.774
21 1HH1 ARG 2 1HH1 ARG 2 -0.888 -21.777 10.023
22 2HH1 ARG 2 2HH1 ARG 2 -1.778 -21.473 8.568
23 1HH2 ARG 2 1HH2 ARG 2 -1.634 -17.993 8.859
24 2HH2 ARG 2 2HH2 ARG 2 -2.201 -19.323 7.906
25 H GLY 3 H GLY 3 4.813 -21.119 15.049
26 1HA GLY 3 2HA GLY 3 6.567 -22.699 14.677
27 2HA GLY 3 1HA GLY 3 6.034 -22.847 13.009
28 H SER 4 H SER 4 7.764 -22.275 11.845
29 HA SER 4 HA SER 4 8.656 -19.523 11.996
30 1HB SER 4 2HB SER 4 10.115 -20.934 13.573
31 2HB SER 4 1HB SER 4 10.760 -21.681 12.112
32 HG SER 4 HG SER 4 11.999 -20.007 11.945
33 H ASN 5 H ASN 5 8.437 -22.582 10.408
34 HA ASN 5 HA ASN 5 9.104 -21.273 7.862
35 1HB ASN 5 2HB ASN 5 9.894 -23.728 7.245
36 2HB ASN 5 1HB ASN 5 10.988 -22.577 8.007
37 1HD2 ASN 5 1HD2 ASN 5 12.014 -23.232 9.749
38 2HD2 ASN 5 2HD2 ASN 5 11.562 -24.561 10.756
39 H ALA 6 H ALA 6 7.082 -21.044 7.072
40 HA ALA 6 HA ALA 6 5.398 -23.458 6.920
41 1HB ALA 6 1HB ALA 6 4.230 -20.762 6.476
42 2HB ALA 6 2HB ALA 6 4.659 -21.220 8.124
43 3HB ALA 6 3HB ALA 6 3.516 -22.199 7.205
44 HA PRO 7 HA PRO 7 6.594 -22.747 2.560
45 1HB PRO 7 2HB PRO 7 6.462 -25.330 1.805
46 2HB PRO 7 1HB PRO 7 7.857 -24.674 2.669
47 1HG PRO 7 2HG PRO 7 5.545 -26.254 3.731
48 2HG PRO 7 1HG PRO 7 7.273 -26.426 4.088
49 1HD PRO 7 2HD PRO 7 5.542 -25.121 5.732
50 2HD PRO 7 1HD PRO 7 7.260 -24.693 5.601
51 H GLN 8 H GLN 8 5.378 -22.728 0.680
52 HA GLN 8 HA GLN 8 3.480 -22.514 -0.554
53 1HB GLN 8 2HB GLN 8 3.844 -25.102 -0.217
54 2HB GLN 8 1HB GLN 8 2.365 -24.975 0.726
55 1HG GLN 8 2HG GLN 8 1.609 -25.546 -1.382
56 2HG GLN 8 1HG GLN 8 1.395 -23.797 -1.337
57 1HE2 GLN 8 1HE2 GLN 8 1.362 -24.024 -3.677
58 2HE2 GLN 8 2HE2 GLN 8 2.859 -24.052 -4.539
59 HA PRO 9 HA PRO 9 0.862 -21.156 3.073
60 1HB PRO 9 2HB PRO 9 1.553 -18.594 3.317
61 2HB PRO 9 1HB PRO 9 2.554 -19.873 4.017
62 1HG PRO 9 2HG PRO 9 2.961 -18.305 1.507
63 2HG PRO 9 1HG PRO 9 4.155 -18.833 2.705
64 1HD PRO 9 2HD PRO 9 3.625 -20.107 0.289
65 2HD PRO 9 1HD PRO 9 4.440 -20.845 1.681
66 H SER 10 H SER 10 -1.108 -20.122 2.881
67 HA SER 10 HA SER 10 -2.058 -19.578 0.267
68 1HB SER 10 2HB SER 10 -3.197 -20.018 2.816
69 2HB SER 10 1HB SER 10 -3.782 -18.445 2.274
70 HG SER 10 HG SER 10 -4.727 -20.736 1.564
71 H HIS 11 H HIS 11 -0.257 -17.723 2.382
72 HA HIS 11 HA HIS 11 -0.618 -15.358 0.759
73 1HB HIS 11 2HB HIS 11 -0.831 -14.051 3.079
74 2HB HIS 11 1HB HIS 11 -2.243 -14.595 2.180
75 HD2 HIS 11 2HD HIS 11 -3.806 -16.449 3.421
76 HE1 HIS 11 1HE HIS 11 -1.343 -16.907 6.833
77 HE2 HIS 11 2HE HIS 11 -3.639 -17.350 5.847
78 H ILE 12 H ILE 12 0.907 -13.599 1.460
79 HA ILE 12 HA ILE 12 3.513 -14.706 1.851
80 HB ILE 12 HB ILE 12 3.295 -12.807 0.398
81 1HG1 ILE 12 2HG1 ILE 12 4.590 -11.242 2.471
82 2HG1 ILE 12 1HG1 ILE 12 5.119 -12.922 2.514
83 1HG2 ILE 12 1HG2 ILE 12 2.494 -11.012 2.646
84 2HG2 ILE 12 2HG2 ILE 12 1.274 -11.939 1.773
85 3HG2 ILE 12 3HG2 ILE 12 2.295 -10.790 0.908
86 1HD1 ILE 12 1HD1 ILE 12 5.229 -12.356 -0.153
87 2HD1 ILE 12 2HD1 ILE 12 6.590 -12.296 0.967
88 3HD1 ILE 12 3HD1 ILE 12 5.699 -10.823 0.580
89 H SER 13 H SER 13 4.958 -14.317 3.577
90 HA SER 13 HA SER 13 4.085 -14.684 6.133
91 1HB SER 13 2HB SER 13 6.485 -14.744 5.255
92 2HB SER 13 1HB SER 13 6.522 -13.002 5.532
93 HG SER 13 HG SER 13 5.983 -14.995 7.484
94 H LYS 14 H LYS 14 4.899 -11.561 4.652
95 HA LYS 14 HA LYS 14 2.790 -10.187 5.930
96 1HB LYS 14 2HB LYS 14 4.268 -8.666 7.325
97 2HB LYS 14 1HB LYS 14 4.007 -10.283 7.960
98 1HG LYS 14 2HG LYS 14 6.171 -10.905 7.656
99 2HG LYS 14 1HG LYS 14 6.397 -9.847 6.263
100 1HD LYS 14 2HD LYS 14 6.594 -7.923 7.660
101 2HD LYS 14 1HD LYS 14 6.084 -8.833 9.083
102 1HE LYS 14 2HE LYS 14 8.182 -10.308 8.464
103 2HE LYS 14 1HE LYS 14 8.701 -8.824 7.664
104 1HZ LYS 14 1HZ LYS 14 8.545 -7.645 9.723
105 2HZ LYS 14 2HZ LYS 14 9.483 -9.027 9.981
106 3HZ LYS 14 3HZ LYS 14 7.878 -8.985 10.512
107 H TYR 15 H TYR 15 2.496 -8.151 5.074
108 HA TYR 15 HA TYR 15 4.348 -7.436 2.904
109 1HB TYR 15 2HB TYR 15 1.656 -7.838 2.794
110 2HB TYR 15 1HB TYR 15 1.721 -6.097 3.042
111 HD1 TYR 15 1HD TYR 15 3.681 -4.974 1.476
112 HD2 TYR 15 2HD TYR 15 1.466 -8.503 0.612
113 HE1 TYR 15 1HE TYR 15 4.113 -4.649 -0.925
114 HE2 TYR 15 2HE TYR 15 1.892 -8.190 -1.789
115 HH TYR 15 HH TYR 15 4.049 -5.681 -2.962
116 H ILE 16 H ILE 16 5.327 -5.463 2.853
117 HA ILE 16 HA ILE 16 4.736 -3.650 5.101
118 HB ILE 16 HB ILE 16 7.348 -4.231 3.713
119 1HG1 ILE 16 2HG1 ILE 16 8.031 -4.366 6.205
120 2HG1 ILE 16 1HG1 ILE 16 6.302 -4.430 6.530
121 1HG2 ILE 16 1HG2 ILE 16 6.584 -1.831 5.362
122 2HG2 ILE 16 2HG2 ILE 16 7.365 -1.879 3.782
123 3HG2 ILE 16 3HG2 ILE 16 8.255 -2.377 5.220
124 1HD1 ILE 16 1HD1 ILE 16 8.097 -6.469 5.428
125 2HD1 ILE 16 2HD1 ILE 16 6.521 -6.346 4.647
126 3HD1 ILE 16 3HD1 ILE 16 6.625 -6.640 6.382
127 H LEU 17 H LEU 17 3.953 -1.732 4.597
128 HA LEU 17 HA LEU 17 4.184 -0.822 1.813
129 1HB LEU 17 2HB LEU 17 1.892 -1.103 2.644
130 2HB LEU 17 1HB LEU 17 2.234 -0.024 3.982
131 HG LEU 17 HG LEU 17 2.696 1.767 2.213
132 1HD1 LEU 17 1HD1 LEU 17 0.942 0.823 0.246
133 2HD1 LEU 17 2HD1 LEU 17 2.103 -0.475 0.525
134 3HD1 LEU 17 3HD1 LEU 17 2.670 1.137 0.088
135 1HD2 LEU 17 1HD2 LEU 17 0.510 1.197 3.638
136 2HD2 LEU 17 2HD2 LEU 17 -0.152 0.983 2.018
137 3HD2 LEU 17 3HD2 LEU 17 0.574 2.523 2.478
138 H ARG 18 H ARG 18 5.759 0.588 1.516
139 HA ARG 18 HA ARG 18 6.355 2.504 3.669
140 1HB ARG 18 2HB ARG 18 8.564 2.544 2.029
141 2HB ARG 18 1HB ARG 18 8.435 1.668 3.547
142 1HG ARG 18 2HG ARG 18 7.309 -0.077 1.760
143 2HG ARG 18 1HG ARG 18 8.599 0.673 0.817
144 1HD ARG 18 2HD ARG 18 9.244 -0.193 3.579
145 2HD ARG 18 1HD ARG 18 9.009 -1.452 2.367
146 HE ARG 18 HE ARG 18 10.733 0.457 1.293
147 1HH1 ARG 18 1HH1 ARG 18 10.683 -1.880 3.878
148 2HH1 ARG 18 2HH1 ARG 18 12.396 -2.131 3.857
149 1HH2 ARG 18 1HH2 ARG 18 12.989 0.131 1.258
150 2HH2 ARG 18 2HH2 ARG 18 13.707 -0.988 2.368
151 H TRP 19 H TRP 19 6.114 4.600 3.226
152 HA TRP 19 HA TRP 19 6.300 5.542 0.501
153 1HB TRP 19 2HB TRP 19 4.079 6.417 0.346
154 2HB TRP 19 1HB TRP 19 3.947 4.717 0.772
155 HD1 TRP 19 HD TRP 19 3.034 8.144 1.931
156 HE1 TRP 19 1HE TRP 19 1.685 8.003 4.123
157 HE3 TRP 19 3HE TRP 19 3.773 3.211 3.007
158 HZ2 TRP 19 2HZ TRP 19 1.022 6.047 6.050
159 HZ3 TRP 19 3HZ TRP 19 2.747 2.279 5.041
160 HH2 TRP 19 HH TRP 19 1.400 3.668 6.529
161 H ARG 20 H ARG 20 6.257 7.842 0.312
162 HA ARG 20 HA ARG 20 6.301 9.512 2.650
163 1HB ARG 20 2HB ARG 20 8.598 10.210 2.519
164 2HB ARG 20 1HB ARG 20 8.572 8.458 2.659
165 1HG ARG 20 2HG ARG 20 9.355 8.135 0.541
166 2HG ARG 20 1HG ARG 20 8.671 9.647 -0.061
167 1HD ARG 20 2HD ARG 20 10.420 10.917 0.758
168 2HD ARG 20 1HD ARG 20 10.868 9.710 1.962
169 HE ARG 20 HE ARG 20 11.252 8.691 -0.647
170 1HH1 ARG 20 1HH1 ARG 20 12.625 10.925 1.648
171 2HH1 ARG 20 2HH1 ARG 20 14.233 10.777 1.023
172 1HH2 ARG 20 1HH2 ARG 20 13.364 8.489 -1.473
173 2HH2 ARG 20 2HH2 ARG 20 14.654 9.392 -0.751
174 HA PRO 21 HA PRO 21 5.026 12.561 -0.270
175 1HB PRO 21 2HB PRO 21 6.934 14.499 0.913
176 2HB PRO 21 1HB PRO 21 5.181 14.604 0.742
177 1HG PRO 21 2HG PRO 21 6.293 14.140 3.121
178 2HG PRO 21 1HG PRO 21 4.782 13.348 2.644
179 1HD PRO 21 2HD PRO 21 7.565 12.251 2.709
180 2HD PRO 21 1HD PRO 21 6.036 11.480 3.174
181 H LYS 22 H LYS 22 5.612 12.407 -2.324
182 HA LYS 22 HA LYS 22 8.334 12.199 -3.166
183 1HB LYS 22 2HB LYS 22 6.277 11.142 -4.258
184 2HB LYS 22 1HB LYS 22 5.966 12.727 -4.952
185 1HG LYS 22 2HG LYS 22 8.699 11.904 -5.394
186 2HG LYS 22 1HG LYS 22 7.550 10.719 -6.019
187 1HD LYS 22 2HD LYS 22 6.877 13.518 -6.604
188 2HD LYS 22 1HD LYS 22 8.367 12.944 -7.357
189 1HE LYS 22 2HE LYS 22 7.279 11.489 -8.714
190 2HE LYS 22 1HE LYS 22 6.031 11.140 -7.518
191 1HZ LYS 22 1HZ LYS 22 4.885 12.310 -9.114
192 2HZ LYS 22 2HZ LYS 22 6.175 13.349 -9.459
193 3HZ LYS 22 3HZ LYS 22 5.290 13.547 -8.031
194 H ASN 23 H ASN 23 5.932 14.757 -3.096
195 HA ASN 23 HA ASN 23 7.684 16.582 -4.540
196 1HB ASN 23 2HB ASN 23 4.948 16.356 -4.413
197 2HB ASN 23 1HB ASN 23 5.257 17.699 -3.317
198 1HD2 ASN 23 1HD2 ASN 23 5.920 16.511 -6.573
199 2HD2 ASN 23 2HD2 ASN 23 6.034 18.070 -7.310
200 H SER 24 H SER 24 6.483 15.979 -1.310
201 HA SER 24 HA SER 24 7.948 18.294 -0.274
202 1HB SER 24 2HB SER 24 6.671 16.938 1.845
203 2HB SER 24 1HB SER 24 6.173 18.450 1.087
204 HG SER 24 HG SER 24 4.591 16.682 1.096
205 H VAL 25 H VAL 25 8.588 17.486 2.246
206 HA VAL 25 HA VAL 25 10.414 15.211 1.821
207 HB VAL 25 HB VAL 25 12.001 16.374 3.386
208 1HG1 VAL 25 1HG1 VAL 25 11.622 16.670 0.641
209 2HG1 VAL 25 2HG1 VAL 25 13.097 16.995 1.552
210 3HG1 VAL 25 3HG1 VAL 25 11.950 18.297 1.236
211 1HG2 VAL 25 1HG2 VAL 25 10.747 18.977 2.742
212 2HG2 VAL 25 2HG2 VAL 25 11.672 18.483 4.159
213 3HG2 VAL 25 3HG2 VAL 25 9.981 18.010 4.001
214 H GLY 26 H GLY 26 11.249 14.324 3.961
215 1HA GLY 26 2HA GLY 26 10.409 14.527 6.447
216 2HA GLY 26 1HA GLY 26 8.929 13.938 5.703
217 H ARG 27 H ARG 27 9.292 12.188 7.311
218 HA ARG 27 HA ARG 27 11.352 10.265 6.526
219 1HB ARG 27 2HB ARG 27 10.061 10.964 8.997
220 2HB ARG 27 1HB ARG 27 9.831 9.250 8.676
221 1HG ARG 27 2HG ARG 27 12.505 10.631 8.636
222 2HG ARG 27 1HG ARG 27 11.841 9.785 10.035
223 1HD ARG 27 2HD ARG 27 12.464 8.588 7.337
224 2HD ARG 27 1HD ARG 27 13.367 8.338 8.830
225 HE ARG 27 HE ARG 27 10.629 7.597 9.106
226 1HH1 ARG 27 1HH1 ARG 27 13.704 6.532 7.861
227 2HH1 ARG 27 2HH1 ARG 27 13.322 4.849 8.001
228 1HH2 ARG 27 1HH2 ARG 27 10.116 5.382 9.290
229 2HH2 ARG 27 2HH2 ARG 27 11.283 4.195 8.812
230 H TRP 28 H TRP 28 10.768 7.980 6.343
231 HA TRP 28 HA TRP 28 8.530 7.633 4.593
232 1HB TRP 28 2HB TRP 28 10.633 5.793 5.709
233 2HB TRP 28 1HB TRP 28 9.275 5.159 4.785
234 HD1 TRP 28 HD TRP 28 12.280 7.551 4.355
235 HE1 TRP 28 1HE TRP 28 12.915 7.594 1.861
236 HE3 TRP 28 3HE TRP 28 8.482 4.675 2.498
237 HZ2 TRP 28 2HZ TRP 28 11.935 6.549 -0.571
238 HZ3 TRP 28 3HZ TRP 28 8.404 4.244 0.078
239 HH2 TRP 28 HH TRP 28 10.096 5.162 -1.425
240 H LYS 29 H LYS 29 7.263 5.405 5.022
241 HA LYS 29 HA LYS 29 6.444 5.195 7.813
242 1HB LYS 29 2HB LYS 29 4.722 6.234 5.601
243 2HB LYS 29 1HB LYS 29 3.985 5.234 6.844
244 1HG LYS 29 2HG LYS 29 5.600 7.194 8.118
245 2HG LYS 29 1HG LYS 29 4.575 7.996 6.925
246 1HD LYS 29 2HD LYS 29 3.142 7.983 8.703
247 2HD LYS 29 1HD LYS 29 2.730 6.424 7.990
248 1HE LYS 29 2HE LYS 29 3.057 6.358 10.458
249 2HE LYS 29 1HE LYS 29 4.110 5.263 9.562
250 1HZ LYS 29 1HZ LYS 29 4.848 7.884 10.743
251 2HZ LYS 29 2HZ LYS 29 5.863 6.990 9.729
252 3HZ LYS 29 3HZ LYS 29 5.394 6.356 11.224
253 H GLU 30 H GLU 30 6.138 3.111 8.328
254 HA GLU 30 HA GLU 30 5.644 1.226 6.119
255 1HB GLU 30 2HB GLU 30 6.836 -0.165 8.272
256 2HB GLU 30 1HB GLU 30 7.507 0.148 6.678
257 1HG GLU 30 2HG GLU 30 8.580 2.125 7.422
258 2HG GLU 30 1HG GLU 30 7.708 2.098 8.954
259 H ALA 31 H ALA 31 4.049 -0.199 6.302
260 HA ALA 31 HA ALA 31 2.807 -0.693 8.906
261 1HB ALA 31 1HB ALA 31 0.540 -0.468 7.751
262 2HB ALA 31 2HB ALA 31 1.403 0.413 6.490
263 3HB ALA 31 3HB ALA 31 1.395 1.024 8.143
264 H THR 32 H THR 32 2.231 -2.796 9.166
265 HA THR 32 HA THR 32 2.823 -4.607 6.984
266 HB THR 32 HB THR 32 1.883 -5.315 9.766
267 HG1 THR 32 1HG THR 32 4.522 -5.734 9.192
268 1HG2 THR 32 1HG2 THR 32 1.590 -7.147 8.226
269 2HG2 THR 32 2HG2 THR 32 2.999 -7.484 9.232
270 3HG2 THR 32 3HG2 THR 32 3.214 -6.916 7.575
271 H ILE 33 H ILE 33 1.433 -5.673 5.769
272 HA ILE 33 HA ILE 33 -1.417 -5.648 6.494
273 HB ILE 33 HB ILE 33 -0.384 -5.366 3.671
274 1HG1 ILE 33 2HG1 ILE 33 -1.783 -3.042 4.534
275 2HG1 ILE 33 1HG1 ILE 33 -0.538 -3.389 5.729
276 1HG2 ILE 33 1HG2 ILE 33 -2.638 -6.412 4.073
277 2HG2 ILE 33 2HG2 ILE 33 -2.639 -4.972 3.054
278 3HG2 ILE 33 3HG2 ILE 33 -3.151 -4.860 4.738
279 1HD1 ILE 33 1HD1 ILE 33 0.508 -3.642 3.062
280 2HD1 ILE 33 2HD1 ILE 33 1.044 -2.613 4.391
281 3HD1 ILE 33 3HD1 ILE 33 -0.234 -2.061 3.307
282 HA PRO 34 HA PRO 34 -0.710 -10.073 6.240
283 1HB PRO 34 2HB PRO 34 -3.682 -10.018 6.138
284 2HB PRO 34 1HB PRO 34 -2.604 -10.955 7.167
285 1HG PRO 34 2HG PRO 34 -3.891 -8.869 8.163
286 2HG PRO 34 1HG PRO 34 -2.194 -9.159 8.598
287 1HD PRO 34 2HD PRO 34 -3.343 -7.195 6.652
288 2HD PRO 34 1HD PRO 34 -2.008 -6.987 7.805
289 H GLY 35 H GLY 35 0.059 -9.659 3.956
290 1HA GLY 35 2HA GLY 35 -0.035 -10.091 1.701
291 2HA GLY 35 1HA GLY 35 -1.163 -11.361 2.151
292 H HIS 36 H HIS 36 -2.256 -8.341 3.131
293 HA HIS 36 HA HIS 36 -3.794 -6.847 2.346
294 1HB HIS 36 2HB HIS 36 -2.369 -7.269 0.107
295 2HB HIS 36 1HB HIS 36 -3.899 -7.974 -0.403
296 HD2 HIS 36 2HD HIS 36 -5.614 -5.547 1.329
297 HE1 HIS 36 1HE HIS 36 -3.890 -3.201 -1.743
298 HE2 HIS 36 2HE HIS 36 -5.578 -3.237 0.149
299 H LEU 37 H LEU 37 -5.594 -7.428 3.374
300 HA LEU 37 HA LEU 37 -6.950 -9.879 3.038
301 1HB LEU 37 2HB LEU 37 -7.785 -7.239 4.223
302 2HB LEU 37 1HB LEU 37 -8.827 -8.648 4.233
303 HG LEU 37 HG LEU 37 -7.040 -9.856 5.526
304 1HD1 LEU 37 1HD1 LEU 37 -5.183 -8.785 6.376
305 2HD1 LEU 37 2HD1 LEU 37 -5.886 -7.179 6.173
306 3HD1 LEU 37 3HD1 LEU 37 -5.297 -8.067 4.768
307 1HD2 LEU 37 1HD2 LEU 37 -9.046 -8.845 6.547
308 2HD2 LEU 37 2HD2 LEU 37 -8.139 -7.355 6.800
309 3HD2 LEU 37 3HD2 LEU 37 -7.652 -8.834 7.628
310 H ASN 38 H ASN 38 -7.331 -6.711 1.592
311 HA ASN 38 HA ASN 38 -8.436 -7.444 -0.787
312 1HB ASN 38 2HB ASN 38 -10.460 -8.284 -0.174
313 2HB ASN 38 1HB ASN 38 -10.443 -7.465 1.384
314 1HD2 ASN 38 1HD2 ASN 38 -11.948 -6.005 1.631
315 2HD2 ASN 38 2HD2 ASN 38 -12.694 -5.078 0.378
316 H SER 39 H SER 39 -9.533 -5.101 1.679
317 HA SER 39 HA SER 39 -8.572 -2.947 -0.085
318 1HB SER 39 2HB SER 39 -11.235 -3.481 0.430
319 2HB SER 39 1HB SER 39 -10.855 -2.197 1.577
320 HG SER 39 HG SER 39 -10.401 -0.847 -0.052
321 H TYR 40 H TYR 40 -7.002 -1.852 0.875
322 HA TYR 40 HA TYR 40 -7.220 -1.313 3.761
323 1HB TYR 40 2HB TYR 40 -5.486 -3.063 3.246
324 2HB TYR 40 1HB TYR 40 -4.616 -1.847 2.318
325 HD1 TYR 40 1HD TYR 40 -5.447 -3.061 5.646
326 HD2 TYR 40 2HD TYR 40 -3.569 0.072 3.463
327 HE1 TYR 40 1HE TYR 40 -4.315 -2.318 7.698
328 HE2 TYR 40 2HE TYR 40 -2.431 0.822 5.509
329 HH TYR 40 HH TYR 40 -2.686 -0.992 8.526
330 H THR 41 H THR 41 -7.643 0.792 3.920
331 HA THR 41 HA THR 41 -6.172 2.648 2.162
332 HB THR 41 HB THR 41 -8.774 3.322 3.515
333 HG1 THR 41 1HG THR 41 -8.520 1.464 1.699
334 1HG2 THR 41 1HG2 THR 41 -7.082 4.502 1.352
335 2HG2 THR 41 2HG2 THR 41 -7.845 5.289 2.734
336 3HG2 THR 41 3HG2 THR 41 -8.821 4.791 1.352
337 H ILE 42 H ILE 42 -5.292 4.514 3.033
338 HA ILE 42 HA ILE 42 -4.838 4.424 5.923
339 HB ILE 42 HB ILE 42 -3.476 6.214 3.912
340 1HG1 ILE 42 2HG1 ILE 42 -1.829 4.055 4.871
341 2HG1 ILE 42 1HG1 ILE 42 -3.285 3.404 4.125
342 1HG2 ILE 42 1HG2 ILE 42 -3.451 6.712 6.428
343 2HG2 ILE 42 2HG2 ILE 42 -1.907 6.679 5.576
344 3HG2 ILE 42 3HG2 ILE 42 -2.403 5.300 6.558
345 1HD1 ILE 42 1HD1 ILE 42 -1.431 5.376 2.817
346 2HD1 ILE 42 2HD1 ILE 42 -2.812 4.567 2.079
347 3HD1 ILE 42 3HD1 ILE 42 -1.396 3.633 2.562
348 H LYS 43 H LYS 43 -5.571 5.968 7.303
349 HA LYS 43 HA LYS 43 -7.170 8.143 6.127
350 1HB LYS 43 2HB LYS 43 -7.411 6.618 8.704
351 2HB LYS 43 1HB LYS 43 -8.164 8.195 8.516
352 1HG LYS 43 2HG LYS 43 -8.784 6.516 6.268
353 2HG LYS 43 1HG LYS 43 -9.208 5.715 7.782
354 1HD LYS 43 2HD LYS 43 -11.122 6.945 7.155
355 2HD LYS 43 1HD LYS 43 -10.354 7.884 8.436
356 1HE LYS 43 2HE LYS 43 -9.194 9.169 6.559
357 2HE LYS 43 1HE LYS 43 -10.360 8.406 5.478
358 1HZ LYS 43 1HZ LYS 43 -11.871 9.393 7.529
359 2HZ LYS 43 2HZ LYS 43 -11.704 10.079 5.992
360 3HZ LYS 43 3HZ LYS 43 -10.718 10.602 7.263
361 H GLY 44 H GLY 44 -7.352 10.099 7.649
362 1HA GLY 44 2HA GLY 44 -6.356 11.726 8.989
363 2HA GLY 44 1HA GLY 44 -4.973 10.664 9.211
364 H LEU 45 H LEU 45 -6.494 11.970 6.272
365 HA LEU 45 HA LEU 45 -4.067 13.507 5.720
366 1HB LEU 45 2HB LEU 45 -5.056 12.193 3.319
367 2HB LEU 45 1HB LEU 45 -3.409 12.334 3.926
368 HG LEU 45 HG LEU 45 -5.138 10.398 5.350
369 1HD1 LEU 45 1HD1 LEU 45 -5.677 10.216 2.851
370 2HD1 LEU 45 2HD1 LEU 45 -5.181 8.754 3.703
371 3HD1 LEU 45 3HD1 LEU 45 -4.028 9.613 2.681
372 1HD2 LEU 45 1HD2 LEU 45 -3.129 9.163 5.508
373 2HD2 LEU 45 2HD2 LEU 45 -2.684 10.851 5.753
374 3HD2 LEU 45 3HD2 LEU 45 -2.378 10.076 4.199
375 H LYS 46 H LYS 46 -4.641 14.409 3.198
376 HA LYS 46 HA LYS 46 -7.359 15.333 3.022
377 1HB LYS 46 2HB LYS 46 -6.355 17.800 2.995
378 2HB LYS 46 1HB LYS 46 -6.958 17.051 4.466
379 1HG LYS 46 2HG LYS 46 -4.976 17.747 5.276
380 2HG LYS 46 1HG LYS 46 -4.411 16.231 4.572
381 1HD LYS 46 2HD LYS 46 -2.902 17.552 3.546
382 2HD LYS 46 1HD LYS 46 -4.232 17.880 2.432
383 1HE LYS 46 2HE LYS 46 -4.674 19.661 4.485
384 2HE LYS 46 1HE LYS 46 -2.917 19.638 4.345
385 1HZ LYS 46 1HZ LYS 46 -3.625 19.805 1.783
386 2HZ LYS 46 2HZ LYS 46 -3.316 21.155 2.755
387 3HZ LYS 46 3HZ LYS 46 -4.908 20.647 2.495
388 HA PRO 47 HA PRO 47 -6.241 15.471 -1.252
389 1HB PRO 47 2HB PRO 47 -8.058 17.291 -2.179
390 2HB PRO 47 1HB PRO 47 -8.456 15.611 -1.801
391 1HG PRO 47 2HG PRO 47 -8.871 18.075 -0.155
392 2HG PRO 47 1HG PRO 47 -9.959 16.696 -0.403
393 1HD PRO 47 2HD PRO 47 -8.476 16.969 1.833
394 2HD PRO 47 1HD PRO 47 -8.848 15.379 1.135
395 H GLY 48 H GLY 48 -4.487 16.422 -2.062
396 1HA GLY 48 2HA GLY 48 -3.853 18.611 -3.170
397 2HA GLY 48 1HA GLY 48 -4.113 19.311 -1.581
398 H VAL 49 H VAL 49 -2.768 16.221 -1.341
399 HA VAL 49 HA VAL 49 -0.068 17.380 -1.073
400 HB VAL 49 HB VAL 49 -1.291 15.129 0.527
401 1HG1 VAL 49 1HG1 VAL 49 1.498 16.255 0.473
402 2HG1 VAL 49 2HG1 VAL 49 0.988 14.579 0.265
403 3HG1 VAL 49 3HG1 VAL 49 0.866 15.349 1.847
404 1HG2 VAL 49 1HG2 VAL 49 -1.712 17.759 0.918
405 2HG2 VAL 49 2HG2 VAL 49 -0.235 17.537 1.857
406 3HG2 VAL 49 3HG2 VAL 49 -1.666 16.569 2.220
407 H VAL 50 H VAL 50 1.532 16.469 -2.219
408 HA VAL 50 HA VAL 50 0.914 14.202 -3.920
409 HB VAL 50 HB VAL 50 3.596 15.558 -3.675
410 1HG1 VAL 50 1HG1 VAL 50 3.263 13.339 -4.913
411 2HG1 VAL 50 2HG1 VAL 50 4.074 14.644 -5.780
412 3HG1 VAL 50 3HG1 VAL 50 2.379 14.287 -6.109
413 1HG2 VAL 50 1HG2 VAL 50 1.170 16.409 -5.234
414 2HG2 VAL 50 2HG2 VAL 50 2.803 16.903 -5.680
415 3HG2 VAL 50 3HG2 VAL 50 2.141 17.361 -4.110
416 H TYR 51 H TYR 51 1.927 12.184 -3.815
417 HA TYR 51 HA TYR 51 3.706 11.693 -1.547
418 1HB TYR 51 2HB TYR 51 0.928 10.986 -1.612
419 2HB TYR 51 1HB TYR 51 1.899 9.520 -1.605
420 HD1 TYR 51 1HD TYR 51 4.172 10.303 0.125
421 HD2 TYR 51 2HD TYR 51 0.030 11.137 0.471
422 HE1 TYR 51 1HE TYR 51 4.425 10.505 2.565
423 HE2 TYR 51 2HE TYR 51 0.250 11.351 2.912
424 HH TYR 51 HH TYR 51 2.722 10.203 4.626
425 H GLU 52 H GLU 52 4.529 9.481 -1.530
426 HA GLU 52 HA GLU 52 4.611 8.175 -4.154
427 1HB GLU 52 2HB GLU 52 6.699 9.166 -4.304
428 2HB GLU 52 1HB GLU 52 6.910 9.230 -2.560
429 1HG GLU 52 2HG GLU 52 8.487 7.680 -3.314
430 2HG GLU 52 1HG GLU 52 7.175 6.709 -2.648
431 H GLY 53 H GLY 53 4.222 6.011 -3.931
432 1HA GLY 53 2HA GLY 53 4.712 4.832 -1.274
433 2HA GLY 53 1HA GLY 53 3.149 4.645 -2.048
434 H GLN 54 H GLN 54 5.376 2.784 -1.195
435 HA GLN 54 HA GLN 54 5.396 1.229 -3.686
436 1HB GLN 54 2HB GLN 54 7.744 0.446 -2.522
437 2HB GLN 54 1HB GLN 54 7.607 1.595 -3.845
438 1HG GLN 54 2HG GLN 54 7.538 3.426 -2.174
439 2HG GLN 54 1HG GLN 54 7.838 2.228 -0.915
440 1HE2 GLN 54 1HE2 GLN 54 9.205 4.195 -3.333
441 2HE2 GLN 54 2HE2 GLN 54 10.845 3.685 -3.152
442 H LEU 55 H LEU 55 4.794 -0.830 -3.450
443 HA LEU 55 HA LEU 55 4.294 -1.795 -0.727
444 1HB LEU 55 2HB LEU 55 3.090 -2.316 -3.394
445 2HB LEU 55 1HB LEU 55 3.094 -3.640 -2.245
446 HG LEU 55 HG LEU 55 2.022 -0.960 -1.439
447 1HD1 LEU 55 1HD1 LEU 55 -0.118 -2.647 -2.184
448 2HD1 LEU 55 2HD1 LEU 55 0.986 -2.554 -3.556
449 3HD1 LEU 55 3HD1 LEU 55 0.324 -1.078 -2.854
450 1HD2 LEU 55 1HD2 LEU 55 1.063 -2.077 0.301
451 2HD2 LEU 55 2HD2 LEU 55 2.469 -3.110 0.041
452 3HD2 LEU 55 3HD2 LEU 55 0.896 -3.580 -0.607
453 H ILE 56 H ILE 56 5.926 -2.945 0.090
454 HA ILE 56 HA ILE 56 7.416 -4.727 -1.709
455 HB ILE 56 HB ILE 56 8.211 -3.463 0.909
456 1HG1 ILE 56 2HG1 ILE 56 10.178 -2.767 -0.621
457 2HG1 ILE 56 1HG1 ILE 56 9.133 -3.249 -1.954
458 1HG2 ILE 56 1HG2 ILE 56 9.577 -5.660 -0.637
459 2HG2 ILE 56 2HG2 ILE 56 9.021 -5.701 1.037
460 3HG2 ILE 56 3HG2 ILE 56 10.385 -4.678 0.586
461 1HD1 ILE 56 1HD1 ILE 56 8.561 -1.077 -1.884
462 2HD1 ILE 56 2HD1 ILE 56 8.988 -0.905 -0.181
463 3HD1 ILE 56 3HD1 ILE 56 7.451 -1.642 -0.635
464 H SER 57 H SER 57 6.847 -6.784 -1.621
465 HA SER 57 HA SER 57 5.527 -7.836 0.746
466 1HB SER 57 2HB SER 57 4.587 -9.375 -0.619
467 2HB SER 57 1HB SER 57 5.104 -8.287 -1.906
468 HG SER 57 HG SER 57 5.747 -10.503 -2.206
469 H ILE 58 H ILE 58 6.580 -8.837 2.286
470 HA ILE 58 HA ILE 58 9.229 -9.966 1.683
471 HB ILE 58 HB ILE 58 8.295 -9.140 4.420
472 1HG1 ILE 58 2HG1 ILE 58 9.354 -7.505 2.161
473 2HG1 ILE 58 1HG1 ILE 58 8.208 -7.071 3.420
474 1HG2 ILE 58 1HG2 ILE 58 11.036 -8.877 4.234
475 2HG2 ILE 58 2HG2 ILE 58 10.692 -10.319 3.281
476 3HG2 ILE 58 3HG2 ILE 58 10.164 -10.226 4.960
477 1HD1 ILE 58 1HD1 ILE 58 10.405 -7.295 4.918
478 2HD1 ILE 58 2HD1 ILE 58 9.933 -5.800 4.109
479 3HD1 ILE 58 3HD1 ILE 58 11.146 -6.853 3.380
480 H GLN 59 H GLN 59 9.205 -12.083 1.548
481 HA GLN 59 HA GLN 59 7.205 -13.644 2.963
482 1HB GLN 59 2HB GLN 59 8.558 -13.918 0.513
483 2HB GLN 59 1HB GLN 59 9.139 -15.231 1.527
484 1HG GLN 59 2HG GLN 59 6.724 -15.772 2.001
485 2HG GLN 59 1HG GLN 59 6.310 -14.631 0.723
486 1HE2 GLN 59 1HE2 GLN 59 5.770 -17.452 0.816
487 2HE2 GLN 59 2HE2 GLN 59 6.563 -18.161 -0.544
488 H GLN 60 H GLN 60 8.313 -15.948 3.615
489 HA GLN 60 HA GLN 60 9.663 -15.430 6.015
490 1HB GLN 60 2HB GLN 60 9.786 -17.783 6.304
491 2HB GLN 60 1HB GLN 60 8.284 -17.470 5.447
492 1HG GLN 60 2HG GLN 60 10.034 -17.862 3.392
493 2HG GLN 60 1HG GLN 60 10.647 -18.971 4.619
494 1HE2 GLN 60 1HE2 GLN 60 9.205 -19.338 2.010
495 2HE2 GLN 60 2HE2 GLN 60 7.884 -20.384 2.391
496 H TYR 61 H TYR 61 10.852 -15.679 2.813
497 HA TYR 61 HA TYR 61 13.585 -16.149 3.776
498 1HB TYR 61 2HB TYR 61 14.132 -17.014 1.720
499 2HB TYR 61 1HB TYR 61 12.423 -17.429 1.781
500 HD1 TYR 61 1HD TYR 61 14.982 -15.776 -0.060
501 HD2 TYR 61 2HD TYR 61 10.783 -15.812 0.629
502 HE1 TYR 61 1HE TYR 61 14.630 -14.590 -2.183
503 HE2 TYR 61 2HE TYR 61 10.419 -14.625 -1.495
504 HH TYR 61 HH TYR 61 12.982 -14.132 -3.784
505 H GLY 62 H GLY 62 11.575 -13.609 3.086
506 1HA GLY 62 2HA GLY 62 12.676 -11.410 3.506
507 2HA GLY 62 1HA GLY 62 13.860 -11.901 2.306
508 H HIS 63 H HIS 63 12.960 -9.608 1.684
509 HA HIS 63 HA HIS 63 10.485 -9.235 0.507
510 1HB HIS 63 2HB HIS 63 11.461 -7.378 -0.682
511 2HB HIS 63 1HB HIS 63 12.192 -7.458 0.919
512 HD2 HIS 63 2HD HIS 63 14.899 -7.873 0.983
513 HE1 HIS 63 1HE HIS 63 15.393 -8.117 -3.214
514 HE2 HIS 63 2HE HIS 63 16.579 -7.814 -0.994
515 H GLN 64 H GLN 64 9.940 -9.053 -1.811
516 HA GLN 64 HA GLN 64 11.447 -10.424 -3.786
517 1HB GLN 64 2HB GLN 64 9.773 -12.297 -4.107
518 2HB GLN 64 1HB GLN 64 10.832 -12.444 -2.711
519 1HG GLN 64 2HG GLN 64 9.134 -12.382 -1.271
520 2HG GLN 64 1HG GLN 64 8.341 -11.056 -2.121
521 1HE2 GLN 64 1HE2 GLN 64 7.714 -13.950 -1.045
522 2HE2 GLN 64 2HE2 GLN 64 6.688 -14.576 -2.285
523 H GLU 65 H GLU 65 9.113 -8.330 -2.846
524 HA GLU 65 HA GLU 65 8.161 -8.017 -5.590
525 1HB GLU 65 2HB GLU 65 6.581 -9.298 -3.744
526 2HB GLU 65 1HB GLU 65 6.031 -7.634 -3.611
527 1HG GLU 65 2HG GLU 65 6.208 -8.121 -6.349
528 2HG GLU 65 1HG GLU 65 5.502 -9.581 -5.660
529 H VAL 66 H VAL 66 8.583 -5.971 -6.130
530 HA VAL 66 HA VAL 66 8.007 -3.865 -4.164
531 HB VAL 66 HB VAL 66 10.463 -3.875 -5.923
532 1HG1 VAL 66 1HG1 VAL 66 9.622 -1.644 -5.512
533 2HG1 VAL 66 2HG1 VAL 66 11.098 -1.905 -4.582
534 3HG1 VAL 66 3HG1 VAL 66 9.527 -1.970 -3.781
535 1HG2 VAL 66 1HG2 VAL 66 10.100 -4.492 -3.001
536 2HG2 VAL 66 2HG2 VAL 66 11.652 -4.016 -3.689
537 3HG2 VAL 66 3HG2 VAL 66 10.857 -5.489 -4.242
538 H THR 67 H THR 67 6.662 -2.396 -4.952
539 HA THR 67 HA THR 67 6.766 -1.725 -7.807
540 HB THR 67 HB THR 67 4.060 -1.826 -6.576
541 HG1 THR 67 1HG THR 67 3.953 -3.960 -6.533
542 1HG2 THR 67 1HG2 THR 67 5.293 -2.134 -9.282
543 2HG2 THR 67 2HG2 THR 67 3.983 -1.074 -8.760
544 3HG2 THR 67 3HG2 THR 67 3.690 -2.800 -8.976
545 H ARG 68 H ARG 68 6.994 0.400 -8.041
546 HA ARG 68 HA ARG 68 6.297 2.162 -5.813
547 1HB ARG 68 2HB ARG 68 7.713 3.172 -8.227
548 2HB ARG 68 1HB ARG 68 7.942 3.587 -6.533
549 1HG ARG 68 2HG ARG 68 9.757 2.318 -6.587
550 2HG ARG 68 1HG ARG 68 8.681 0.925 -6.674
551 1HD ARG 68 2HD ARG 68 8.762 0.956 -9.082
552 2HD ARG 68 1HD ARG 68 9.710 2.442 -9.067
553 HE ARG 68 HE ARG 68 11.515 1.133 -8.036
554 1HH1 ARG 68 1HH1 ARG 68 8.967 -0.569 -9.698
555 2HH1 ARG 68 2HH1 ARG 68 9.932 -1.976 -10.004
556 1HH2 ARG 68 1HH2 ARG 68 12.787 -0.716 -8.431
557 2HH2 ARG 68 2HH2 ARG 68 12.102 -2.059 -9.283
558 H PHE 69 H PHE 69 4.863 3.803 -5.942
559 HA PHE 69 HA PHE 69 3.722 4.668 -8.443
560 1HB PHE 69 2HB PHE 69 1.350 4.197 -7.450
561 2HB PHE 69 1HB PHE 69 2.209 2.921 -8.304
562 HD1 PHE 69 1HD PHE 69 1.135 4.142 -5.014
563 HD2 PHE 69 2HD PHE 69 2.998 0.975 -7.162
564 HE1 PHE 69 1HE PHE 69 0.920 2.683 -3.044
565 HE2 PHE 69 2HE PHE 69 2.786 -0.488 -5.198
566 HZ PHE 69 HZ PHE 69 1.745 0.364 -3.134
567 H ASP 70 H ASP 70 3.322 6.780 -8.312
568 HA ASP 70 HA ASP 70 3.269 8.017 -5.660
569 1HB ASP 70 2HB ASP 70 3.570 10.157 -6.912
570 2HB ASP 70 1HB ASP 70 4.860 8.993 -7.201
571 H PHE 71 H PHE 71 1.540 9.125 -4.873
572 HA PHE 71 HA PHE 71 -0.785 9.475 -6.613
573 1HB PHE 71 2HB PHE 71 -2.277 8.463 -4.979
574 2HB PHE 71 1HB PHE 71 -1.035 7.310 -5.469
575 HD1 PHE 71 1HD PHE 71 0.896 6.880 -3.933
576 HD2 PHE 71 2HD PHE 71 -2.542 9.079 -2.727
577 HE1 PHE 71 1HE PHE 71 1.485 6.497 -1.573
578 HE2 PHE 71 2HE PHE 71 -1.959 8.703 -0.367
579 HZ PHE 71 HZ PHE 71 0.057 7.410 0.213
580 H THR 72 H THR 72 -2.237 11.081 -5.986
581 HA THR 72 HA THR 72 -1.119 13.027 -4.093
582 HB THR 72 HB THR 72 -3.255 14.206 -5.515
583 HG1 THR 72 1HG THR 72 -2.339 13.849 -7.695
584 1HG2 THR 72 1HG2 THR 72 -0.259 14.435 -5.623
585 2HG2 THR 72 2HG2 THR 72 -1.418 15.519 -4.854
586 3HG2 THR 72 3HG2 THR 72 -1.308 15.450 -6.613
587 H THR 73 H THR 73 -2.801 14.454 -3.032
588 HA THR 73 HA THR 73 -4.614 14.772 -1.675
589 HB THR 73 HB THR 73 -5.634 12.249 -2.991
590 HG1 THR 73 1HG THR 73 -5.854 14.021 -4.311
591 1HG2 THR 73 1HG2 THR 73 -7.421 13.905 -1.285
592 2HG2 THR 73 2HG2 THR 73 -6.318 12.790 -0.474
593 3HG2 THR 73 3HG2 THR 73 -7.485 12.182 -1.650
594 H THR 74 H THR 74 -3.316 14.583 0.124
595 HA THR 74 HA THR 74 -3.861 12.409 1.869
596 HB THR 74 HB THR 74 -1.110 12.157 1.861
597 HG1 THR 74 1HG THR 74 -0.582 12.748 -0.113
598 1HG2 THR 74 1HG2 THR 74 -2.595 10.316 2.274
599 2HG2 THR 74 2HG2 THR 74 -1.561 9.900 0.905
600 3HG2 THR 74 3HG2 THR 74 -3.230 10.401 0.630
601 H SER 75 H SER 75 -1.340 12.600 3.321
602 HA SER 75 HA SER 75 -1.546 15.367 4.312
603 1HB SER 75 2HB SER 75 -1.012 14.465 6.565
604 2HB SER 75 1HB SER 75 -2.532 13.840 5.927
605 HG SER 75 HG SER 75 -0.743 12.371 6.888
606 H THR 76 H THR 76 0.490 15.693 5.907
607 HA THR 76 HA THR 76 2.785 15.489 4.151
608 HB THR 76 HB THR 76 3.921 16.795 6.035
609 HG1 THR 76 1HG THR 76 1.514 17.683 6.983
610 1HG2 THR 76 1HG2 THR 76 2.826 18.897 5.391
611 2HG2 THR 76 2HG2 THR 76 1.493 17.982 4.687
612 3HG2 THR 76 3HG2 THR 76 3.110 17.859 3.993
613 H SER 77 H SER 77 2.208 14.740 7.593
614 HA SER 77 HA SER 77 3.777 12.304 7.311
615 1HB SER 77 2HB SER 77 5.312 12.809 9.075
616 2HB SER 77 1HB SER 77 5.352 14.174 7.959
617 HG SER 77 HG SER 77 4.579 14.081 10.575
618 H THR 78 H THR 78 3.856 11.194 9.596
619 HA THR 78 HA THR 78 1.320 11.613 11.008
620 HB THR 78 HB THR 78 2.224 8.816 10.410
621 HG1 THR 78 1HG THR 78 0.215 9.608 8.783
622 1HG2 THR 78 1HG2 THR 78 -0.396 10.123 11.127
623 2HG2 THR 78 2HG2 THR 78 0.540 8.976 12.086
624 3HG2 THR 78 3HG2 THR 78 -0.264 8.443 10.609
625 HA PRO 79 HA PRO 79 5.069 11.312 13.835
626 1HB PRO 79 2HB PRO 79 3.191 13.070 15.340
627 2HB PRO 79 1HB PRO 79 4.940 13.212 15.127
628 1HG PRO 79 2HG PRO 79 3.281 14.796 13.782
629 2HG PRO 79 1HG PRO 79 4.739 14.143 13.010
630 1HD PRO 79 2HD PRO 79 1.888 13.318 12.686
631 2HD PRO 79 1HD PRO 79 3.192 13.376 11.482
632 H GLY 80 H GLY 80 1.588 11.085 14.402
633 1HA GLY 80 2HA GLY 80 1.896 9.599 16.853
634 2HA GLY 80 1HA GLY 80 0.389 9.916 16.006
635 H SER 81 H SER 81 2.864 7.653 16.630
636 HA SER 81 HA SER 81 1.419 5.650 15.080
637 1HB SER 81 2HB SER 81 3.475 6.688 13.807
638 2HB SER 81 1HB SER 81 4.407 5.634 14.870
639 HG SER 81 HG SER 81 3.720 3.947 13.803
640 H ARG 82 H ARG 82 1.855 3.473 15.738
641 HA ARG 82 HA ARG 82 2.083 1.857 17.317
642 1HB ARG 82 2HB ARG 82 4.595 3.418 17.457
643 2HB ARG 82 1HB ARG 82 4.273 2.351 18.816
644 1HG ARG 82 2HG ARG 82 3.746 0.700 16.736
645 2HG ARG 82 1HG ARG 82 5.017 1.718 16.052
646 1HD ARG 82 2HD ARG 82 5.750 1.025 18.711
647 2HD ARG 82 1HD ARG 82 5.266 -0.446 17.869
648 HE ARG 82 HE ARG 82 6.904 0.627 16.079
649 1HH1 ARG 82 1HH1 ARG 82 7.262 0.291 19.529
650 2HH1 ARG 82 2HH1 ARG 82 8.988 0.167 19.467
651 1HH2 ARG 82 1HH2 ARG 82 9.178 0.466 15.990
652 2HH2 ARG 82 2HH2 ARG 82 10.077 0.266 17.456
653 H SER 83 H SER 83 3.725 3.926 19.561
654 HA SER 83 HA SER 83 3.188 4.691 21.629
655 1HB SER 83 2HB SER 83 0.365 5.030 20.623
656 2HB SER 83 1HB SER 83 1.199 5.970 21.859
657 HG SER 83 HG SER 83 1.104 6.390 19.221
658 H HIS 84 H HIS 84 2.452 1.814 20.678
659 HA HIS 84 HA HIS 84 1.549 -0.084 21.553
660 1HB HIS 84 2HB HIS 84 2.393 1.524 23.924
661 2HB HIS 84 1HB HIS 84 1.477 0.045 24.197
662 HD2 HIS 84 2HD HIS 84 4.802 1.034 22.306
663 HE1 HIS 84 1HE HIS 84 5.092 -2.900 23.836
664 HE2 HIS 84 2HE HIS 84 6.362 -0.987 22.763
665 H HIS 85 H HIS 85 -0.337 1.901 20.713
666 HA HIS 85 HA HIS 85 -2.565 2.348 20.767
667 1HB HIS 85 2HB HIS 85 -2.645 -0.157 22.464
668 2HB HIS 85 1HB HIS 85 -4.042 0.612 21.720
669 HD2 HIS 85 2HD HIS 85 -0.810 -1.321 20.609
670 HE1 HIS 85 1HE HIS 85 -3.695 -1.434 17.514
671 HE2 HIS 85 2HE HIS 85 -1.360 -2.136 18.208
672 H HIS 86 H HIS 86 -2.308 4.287 21.930
673 HA HIS 86 HA HIS 86 -3.204 4.120 24.730
674 1HB HIS 86 2HB HIS 86 -0.716 4.961 23.985
675 2HB HIS 86 1HB HIS 86 -1.598 6.483 24.014
676 HD2 HIS 86 2HD HIS 86 -3.304 6.328 26.647
677 HE1 HIS 86 1HE HIS 86 0.259 5.070 28.551
678 HE2 HIS 86 2HE HIS 86 -2.004 6.162 28.885
679 H HIS 87 H HIS 87 -4.921 4.371 22.524
680 HA HIS 87 HA HIS 87 -6.176 6.908 23.175
681 1HB HIS 87 2HB HIS 87 -6.591 7.151 20.580
682 2HB HIS 87 1HB HIS 87 -5.132 7.797 21.325
683 HD2 HIS 87 2HD HIS 87 -6.169 4.559 19.324
684 HE1 HIS 87 1HE HIS 87 -2.061 5.395 18.736
685 HE2 HIS 87 2HE HIS 87 -3.949 3.780 18.229
686 H HIS 88 H HIS 88 -8.390 7.054 22.188
687 HA HIS 88 HA HIS 88 -9.609 4.379 22.166
688 1HB HIS 88 2HB HIS 88 -10.575 7.070 23.066
689 2HB HIS 88 1HB HIS 88 -11.743 5.839 22.591
690 HD2 HIS 88 2HD HIS 88 -11.883 3.595 24.268
691 HE1 HIS 88 1HE HIS 88 -9.555 5.362 27.330
692 HE2 HIS 88 2HE HIS 88 -11.207 3.521 26.773
693 H HIS 89 H HIS 89 -11.437 4.012 20.745
694 HA HIS 89 HA HIS 89 -10.912 4.773 18.083
695 1HB HIS 89 2HB HIS 89 -12.169 2.697 19.012
696 2HB HIS 89 1HB HIS 89 -13.587 3.738 18.983
697 HD2 HIS 89 2HD HIS 89 -14.588 1.979 16.988
698 HE1 HIS 89 1HE HIS 89 -11.963 3.470 14.021
699 HE2 HIS 89 2HE HIS 89 -13.921 1.925 14.482
Start of MODEL 3
1 1H MET 1 1HT MET 1 -6.209 -33.685 10.107
2 2H MET 1 2HT MET 1 -6.276 -34.168 8.487
3 3H MET 1 3HT MET 1 -5.025 -34.719 9.482
4 HA MET 1 HA MET 1 -6.565 -36.489 9.224
5 1HB MET 1 2HB MET 1 -6.591 -35.057 11.873
6 2HB MET 1 1HB MET 1 -7.375 -36.618 11.671
7 1HG MET 1 2HG MET 1 -5.203 -37.538 10.892
8 2HG MET 1 1HG MET 1 -4.459 -35.990 11.287
9 1HE MET 1 1HE MET 1 -5.945 -39.346 12.691
10 2HE MET 1 2HE MET 1 -7.213 -38.163 13.016
11 3HE MET 1 3HE MET 1 -6.320 -38.887 14.352
12 H ARG 2 H ARG 2 -8.274 -36.236 7.819
13 HA ARG 2 HA ARG 2 -10.412 -35.908 7.115
14 1HB ARG 2 2HB ARG 2 -10.552 -37.191 9.517
15 2HB ARG 2 1HB ARG 2 -11.561 -35.785 9.824
16 1HG ARG 2 2HG ARG 2 -12.803 -36.369 7.705
17 2HG ARG 2 1HG ARG 2 -11.925 -37.900 7.725
18 1HD ARG 2 2HD ARG 2 -13.321 -38.741 9.234
19 2HD ARG 2 1HD ARG 2 -13.036 -37.378 10.316
20 HE ARG 2 HE ARG 2 -14.894 -36.266 9.348
21 1HH1 ARG 2 1HH1 ARG 2 -14.443 -39.515 8.174
22 2HH1 ARG 2 2HH1 ARG 2 -16.057 -39.655 7.563
23 1HH2 ARG 2 1HH2 ARG 2 -17.022 -36.442 8.547
24 2HH2 ARG 2 2HH2 ARG 2 -17.523 -37.910 7.775
25 H GLY 3 H GLY 3 -9.367 -33.642 6.774
26 1HA GLY 3 2HA GLY 3 -11.078 -31.667 8.155
27 2HA GLY 3 1HA GLY 3 -9.413 -31.330 7.709
28 H SER 4 H SER 4 -10.145 -29.500 6.528
29 HA SER 4 HA SER 4 -11.719 -30.064 4.123
30 1HB SER 4 2HB SER 4 -10.939 -27.489 5.495
31 2HB SER 4 1HB SER 4 -11.711 -27.530 3.910
32 HG SER 4 HG SER 4 -13.149 -29.088 5.434
33 H ASN 5 H ASN 5 -10.761 -27.938 2.539
34 HA ASN 5 HA ASN 5 -8.116 -28.994 1.804
35 1HB ASN 5 2HB ASN 5 -10.340 -27.792 0.171
36 2HB ASN 5 1HB ASN 5 -8.698 -27.905 -0.457
37 1HD2 ASN 5 1HD2 ASN 5 -8.954 -29.408 -1.996
38 2HD2 ASN 5 2HD2 ASN 5 -9.494 -31.024 -1.711
39 H ALA 6 H ALA 6 -9.049 -26.665 3.649
40 HA ALA 6 HA ALA 6 -7.070 -24.758 2.608
41 1HB ALA 6 1HB ALA 6 -9.809 -24.260 2.660
42 2HB ALA 6 2HB ALA 6 -8.518 -23.079 2.443
43 3HB ALA 6 3HB ALA 6 -9.163 -23.394 4.054
44 HA PRO 7 HA PRO 7 -6.177 -25.956 7.012
45 1HB PRO 7 2HB PRO 7 -3.396 -25.869 6.073
46 2HB PRO 7 1HB PRO 7 -4.263 -27.175 6.884
47 1HG PRO 7 2HG PRO 7 -3.564 -27.321 4.288
48 2HG PRO 7 1HG PRO 7 -5.053 -28.059 4.909
49 1HD PRO 7 2HD PRO 7 -4.691 -25.487 3.415
50 2HD PRO 7 1HD PRO 7 -5.955 -26.723 3.241
51 H GLN 8 H GLN 8 -4.279 -23.772 4.932
52 HA GLN 8 HA GLN 8 -4.534 -21.682 6.955
53 1HB GLN 8 2HB GLN 8 -2.165 -21.164 6.942
54 2HB GLN 8 1HB GLN 8 -2.396 -22.838 7.427
55 1HG GLN 8 2HG GLN 8 -1.876 -22.230 4.562
56 2HG GLN 8 1HG GLN 8 -0.539 -22.170 5.711
57 1HE2 GLN 8 1HE2 GLN 8 -0.652 -24.154 7.286
58 2HE2 GLN 8 2HE2 GLN 8 -0.802 -25.681 6.493
59 HA PRO 9 HA PRO 9 -5.165 -19.078 3.448
60 1HB PRO 9 2HB PRO 9 -4.108 -16.718 4.334
61 2HB PRO 9 1HB PRO 9 -5.677 -17.343 4.854
62 1HG PRO 9 2HG PRO 9 -3.030 -17.480 6.239
63 2HG PRO 9 1HG PRO 9 -4.633 -17.138 6.916
64 1HD PRO 9 2HD PRO 9 -3.464 -19.559 7.142
65 2HD PRO 9 1HD PRO 9 -5.222 -19.371 6.979
66 H SER 10 H SER 10 -3.978 -19.547 1.694
67 HA SER 10 HA SER 10 -1.127 -19.508 1.662
68 1HB SER 10 2HB SER 10 -3.192 -20.497 -0.003
69 2HB SER 10 1HB SER 10 -2.223 -19.402 -0.990
70 HG SER 10 HG SER 10 -0.969 -21.309 0.655
71 H HIS 11 H HIS 11 -0.282 -17.523 2.090
72 HA HIS 11 HA HIS 11 -0.391 -15.574 -0.032
73 1HB HIS 11 2HB HIS 11 -1.804 -15.166 2.535
74 2HB HIS 11 1HB HIS 11 -0.815 -13.819 1.984
75 HD2 HIS 11 2HD HIS 11 -1.480 -13.608 -1.088
76 HE1 HIS 11 1HE HIS 11 -5.542 -13.826 0.079
77 HE2 HIS 11 2HE HIS 11 -3.932 -13.035 -1.713
78 H ILE 12 H ILE 12 0.936 -13.526 0.801
79 HA ILE 12 HA ILE 12 3.545 -14.510 1.415
80 HB ILE 12 HB ILE 12 3.382 -12.627 -0.058
81 1HG1 ILE 12 2HG1 ILE 12 4.427 -10.907 1.969
82 2HG1 ILE 12 1HG1 ILE 12 4.911 -12.556 2.355
83 1HG2 ILE 12 1HG2 ILE 12 2.544 -10.412 0.841
84 2HG2 ILE 12 2HG2 ILE 12 1.849 -11.328 2.178
85 3HG2 ILE 12 3HG2 ILE 12 1.321 -11.643 0.524
86 1HD1 ILE 12 1HD1 ILE 12 6.048 -12.807 0.310
87 2HD1 ILE 12 2HD1 ILE 12 6.502 -11.221 0.934
88 3HD1 ILE 12 3HD1 ILE 12 5.314 -11.351 -0.363
89 H SER 13 H SER 13 4.838 -14.035 3.238
90 HA SER 13 HA SER 13 3.720 -14.383 5.727
91 1HB SER 13 2HB SER 13 6.321 -13.869 4.689
92 2HB SER 13 1HB SER 13 6.067 -12.783 6.056
93 HG SER 13 HG SER 13 5.725 -14.511 7.371
94 H LYS 14 H LYS 14 4.747 -11.307 4.252
95 HA LYS 14 HA LYS 14 2.584 -9.859 5.352
96 1HB LYS 14 2HB LYS 14 3.692 -8.502 6.998
97 2HB LYS 14 1HB LYS 14 3.925 -10.192 7.422
98 1HG LYS 14 2HG LYS 14 6.080 -9.282 5.759
99 2HG LYS 14 1HG LYS 14 5.877 -8.215 7.151
100 1HD LYS 14 2HD LYS 14 5.968 -10.150 8.647
101 2HD LYS 14 1HD LYS 14 6.162 -11.218 7.256
102 1HE LYS 14 2HE LYS 14 8.105 -9.108 7.160
103 2HE LYS 14 1HE LYS 14 8.173 -9.918 8.724
104 1HZ LYS 14 1HZ LYS 14 9.372 -10.785 6.463
105 2HZ LYS 14 2HZ LYS 14 7.967 -11.725 6.495
106 3HZ LYS 14 3HZ LYS 14 9.029 -11.749 7.811
107 H TYR 15 H TYR 15 2.404 -7.822 4.505
108 HA TYR 15 HA TYR 15 4.362 -7.112 2.431
109 1HB TYR 15 2HB TYR 15 1.581 -7.345 2.363
110 2HB TYR 15 1HB TYR 15 1.865 -5.610 2.420
111 HD1 TYR 15 1HD TYR 15 1.173 -8.110 0.245
112 HD2 TYR 15 2HD TYR 15 4.053 -5.023 0.775
113 HE1 TYR 15 1HE TYR 15 1.606 -8.107 -2.176
114 HE2 TYR 15 2HE TYR 15 4.496 -5.013 -1.644
115 HH TYR 15 HH TYR 15 2.866 -5.814 -3.816
116 H ILE 16 H ILE 16 5.347 -5.094 2.430
117 HA ILE 16 HA ILE 16 4.709 -3.361 4.727
118 HB ILE 16 HB ILE 16 7.365 -3.977 3.453
119 1HG1 ILE 16 2HG1 ILE 16 6.574 -5.386 5.329
120 2HG1 ILE 16 1HG1 ILE 16 8.023 -4.477 5.748
121 1HG2 ILE 16 1HG2 ILE 16 7.046 -1.495 3.662
122 2HG2 ILE 16 2HG2 ILE 16 8.389 -2.147 4.600
123 3HG2 ILE 16 3HG2 ILE 16 6.876 -1.725 5.403
124 1HD1 ILE 16 1HD1 ILE 16 6.951 -3.820 7.571
125 2HD1 ILE 16 2HD1 ILE 16 5.422 -4.473 6.985
126 3HD1 ILE 16 3HD1 ILE 16 5.918 -2.842 6.529
127 H LEU 17 H LEU 17 3.961 -1.420 4.252
128 HA LEU 17 HA LEU 17 4.360 -0.400 1.525
129 1HB LEU 17 2HB LEU 17 2.030 -0.664 2.104
130 2HB LEU 17 1HB LEU 17 2.257 0.221 3.600
131 HG LEU 17 HG LEU 17 2.864 2.230 2.151
132 1HD1 LEU 17 1HD1 LEU 17 3.056 0.606 0.105
133 2HD1 LEU 17 2HD1 LEU 17 2.454 2.251 -0.102
134 3HD1 LEU 17 3HD1 LEU 17 1.322 0.900 -0.021
135 1HD2 LEU 17 1HD2 LEU 17 0.304 1.077 2.827
136 2HD2 LEU 17 2HD2 LEU 17 0.193 2.104 1.397
137 3HD2 LEU 17 3HD2 LEU 17 0.840 2.756 2.903
138 H ARG 18 H ARG 18 5.937 1.030 1.372
139 HA ARG 18 HA ARG 18 6.419 2.852 3.633
140 1HB ARG 18 2HB ARG 18 8.668 2.979 2.008
141 2HB ARG 18 1HB ARG 18 8.532 2.103 3.527
142 1HG ARG 18 2HG ARG 18 7.472 0.304 1.802
143 2HG ARG 18 1HG ARG 18 8.657 1.105 0.772
144 1HD ARG 18 2HD ARG 18 9.172 -0.967 2.486
145 2HD ARG 18 1HD ARG 18 10.376 0.136 1.822
146 HE ARG 18 HE ARG 18 9.137 0.389 4.484
147 1HH1 ARG 18 1HH1 ARG 18 11.740 1.015 2.251
148 2HH1 ARG 18 2HH1 ARG 18 12.766 1.731 3.448
149 1HH2 ARG 18 1HH2 ARG 18 10.484 1.328 6.067
150 2HH2 ARG 18 2HH2 ARG 18 12.052 1.908 5.617
151 H TRP 19 H TRP 19 6.115 4.976 3.279
152 HA TRP 19 HA TRP 19 6.424 6.071 0.631
153 1HB TRP 19 2HB TRP 19 4.188 6.774 0.265
154 2HB TRP 19 1HB TRP 19 4.112 5.067 0.676
155 HD1 TRP 19 HD TRP 19 2.695 8.358 1.608
156 HE1 TRP 19 1HE TRP 19 1.189 8.138 3.682
157 HE3 TRP 19 3HE TRP 19 4.018 3.643 3.064
158 HZ2 TRP 19 2HZ TRP 19 0.631 6.213 5.669
159 HZ3 TRP 19 3HZ TRP 19 2.946 2.683 5.060
160 HH2 TRP 19 HH TRP 19 1.288 3.942 6.335
161 H ARG 20 H ARG 20 6.543 8.293 0.543
162 HA ARG 20 HA ARG 20 6.190 9.866 2.957
163 1HB ARG 20 2HB ARG 20 8.354 10.156 3.480
164 2HB ARG 20 1HB ARG 20 8.693 8.794 2.426
165 1HG ARG 20 2HG ARG 20 8.489 11.331 0.999
166 2HG ARG 20 1HG ARG 20 9.770 11.301 2.210
167 1HD ARG 20 2HD ARG 20 11.033 10.196 0.757
168 2HD ARG 20 1HD ARG 20 9.918 8.838 0.894
169 HE ARG 20 HE ARG 20 8.662 10.126 -0.959
170 1HH1 ARG 20 1HH1 ARG 20 12.120 9.945 -0.587
171 2HH1 ARG 20 2HH1 ARG 20 12.443 10.121 -2.279
172 1HH2 ARG 20 1HH2 ARG 20 9.077 10.359 -3.193
173 2HH2 ARG 20 2HH2 ARG 20 10.714 10.357 -3.759
174 HA PRO 21 HA PRO 21 4.961 13.070 0.202
175 1HB PRO 21 2HB PRO 21 6.921 14.920 1.462
176 2HB PRO 21 1HB PRO 21 5.174 15.095 1.265
177 1HG PRO 21 2HG PRO 21 6.195 14.506 3.646
178 2HG PRO 21 1HG PRO 21 4.699 13.733 3.091
179 1HD PRO 21 2HD PRO 21 7.486 12.641 3.173
180 2HD PRO 21 1HD PRO 21 5.952 11.850 3.582
181 H LYS 22 H LYS 22 5.516 12.978 -1.855
182 HA LYS 22 HA LYS 22 8.156 12.672 -2.809
183 1HB LYS 22 2HB LYS 22 5.762 12.146 -3.855
184 2HB LYS 22 1HB LYS 22 6.031 13.709 -4.615
185 1HG LYS 22 2HG LYS 22 8.416 12.286 -4.955
186 2HG LYS 22 1HG LYS 22 7.114 11.141 -5.289
187 1HD LYS 22 2HD LYS 22 7.119 12.046 -7.342
188 2HD LYS 22 1HD LYS 22 6.235 13.373 -6.586
189 1HE LYS 22 2HE LYS 22 7.928 14.791 -6.900
190 2HE LYS 22 1HE LYS 22 9.096 13.650 -6.233
191 1HZ LYS 22 1HZ LYS 22 8.077 13.655 -9.024
192 2HZ LYS 22 2HZ LYS 22 9.191 12.552 -8.388
193 3HZ LYS 22 3HZ LYS 22 9.605 14.186 -8.527
194 H ASN 23 H ASN 23 6.042 15.473 -2.485
195 HA ASN 23 HA ASN 23 8.063 17.189 -3.717
196 1HB ASN 23 2HB ASN 23 5.382 17.232 -3.984
197 2HB ASN 23 1HB ASN 23 5.560 18.364 -2.647
198 1HD2 ASN 23 1HD2 ASN 23 6.040 17.805 -6.003
199 2HD2 ASN 23 2HD2 ASN 23 6.591 19.390 -6.412
200 H SER 24 H SER 24 6.306 16.799 -0.666
201 HA SER 24 HA SER 24 7.847 18.898 0.601
202 1HB SER 24 2HB SER 24 5.335 17.749 1.056
203 2HB SER 24 1HB SER 24 6.317 17.260 2.436
204 HG SER 24 HG SER 24 5.219 19.634 1.946
205 H VAL 25 H VAL 25 8.881 18.446 2.744
206 HA VAL 25 HA VAL 25 10.507 16.010 2.527
207 HB VAL 25 HB VAL 25 11.666 18.234 2.554
208 1HG1 VAL 25 1HG1 VAL 25 11.095 19.763 4.056
209 2HG1 VAL 25 2HG1 VAL 25 11.686 18.709 5.340
210 3HG1 VAL 25 3HG1 VAL 25 10.000 18.620 4.833
211 1HG2 VAL 25 1HG2 VAL 25 12.302 15.851 3.919
212 2HG2 VAL 25 2HG2 VAL 25 12.828 17.185 4.944
213 3HG2 VAL 25 3HG2 VAL 25 13.408 17.069 3.283
214 H GLY 26 H GLY 26 10.960 14.754 4.401
215 1HA GLY 26 2HA GLY 26 10.048 15.158 6.972
216 2HA GLY 26 1HA GLY 26 8.704 14.416 6.116
217 H ARG 27 H ARG 27 8.595 12.343 6.638
218 HA ARG 27 HA ARG 27 11.017 10.716 6.397
219 1HB ARG 27 2HB ARG 27 10.534 9.521 8.463
220 2HB ARG 27 1HB ARG 27 10.759 11.234 8.787
221 1HG ARG 27 2HG ARG 27 8.052 11.050 8.385
222 2HG ARG 27 1HG ARG 27 8.432 9.538 9.210
223 1HD ARG 27 2HD ARG 27 9.654 10.877 10.929
224 2HD ARG 27 1HD ARG 27 9.044 12.335 10.146
225 HE ARG 27 HE ARG 27 7.034 11.979 11.163
226 1HH1 ARG 27 1HH1 ARG 27 8.831 8.992 11.179
227 2HH1 ARG 27 2HH1 ARG 27 7.670 8.150 12.149
228 1HH2 ARG 27 1HH2 ARG 27 5.500 10.875 12.441
229 2HH2 ARG 27 2HH2 ARG 27 5.778 9.218 12.864
230 H TRP 28 H TRP 28 10.441 8.331 6.464
231 HA TRP 28 HA TRP 28 8.267 7.897 4.612
232 1HB TRP 28 2HB TRP 28 10.361 6.073 5.796
233 2HB TRP 28 1HB TRP 28 9.099 5.501 4.711
234 HD1 TRP 28 HD TRP 28 12.109 7.928 4.710
235 HE1 TRP 28 1HE TRP 28 12.988 8.104 2.297
236 HE3 TRP 28 3HE TRP 28 8.542 5.135 2.342
237 HZ2 TRP 28 2HZ TRP 28 12.264 7.179 -0.271
238 HZ3 TRP 28 3HZ TRP 28 8.708 4.829 -0.093
239 HH2 TRP 28 HH TRP 28 10.531 5.832 -1.372
240 H LYS 29 H LYS 29 6.954 5.793 4.995
241 HA LYS 29 HA LYS 29 6.162 5.513 7.801
242 1HB LYS 29 2HB LYS 29 4.685 7.023 5.984
243 2HB LYS 29 1HB LYS 29 3.862 5.470 6.017
244 1HG LYS 29 2HG LYS 29 2.951 5.913 7.988
245 2HG LYS 29 1HG LYS 29 4.516 6.340 8.683
246 1HD LYS 29 2HD LYS 29 3.264 8.297 6.841
247 2HD LYS 29 1HD LYS 29 2.530 8.101 8.435
248 1HE LYS 29 2HE LYS 29 4.267 9.067 9.493
249 2HE LYS 29 1HE LYS 29 5.460 8.319 8.432
250 1HZ LYS 29 1HZ LYS 29 3.782 10.392 7.259
251 2HZ LYS 29 2HZ LYS 29 5.423 10.058 7.013
252 3HZ LYS 29 3HZ LYS 29 4.930 10.904 8.393
253 H GLU 30 H GLU 30 5.600 3.437 8.342
254 HA GLU 30 HA GLU 30 5.549 1.497 6.123
255 1HB GLU 30 2HB GLU 30 6.779 1.253 8.864
256 2HB GLU 30 1HB GLU 30 6.514 -0.127 7.807
257 1HG GLU 30 2HG GLU 30 7.972 0.842 6.131
258 2HG GLU 30 1HG GLU 30 8.198 2.276 7.133
259 H ALA 31 H ALA 31 3.932 0.091 6.018
260 HA ALA 31 HA ALA 31 2.216 -0.354 8.351
261 1HB ALA 31 1HB ALA 31 0.274 -0.241 6.575
262 2HB ALA 31 2HB ALA 31 1.395 0.842 5.749
263 3HB ALA 31 3HB ALA 31 0.850 1.217 7.384
264 H THR 32 H THR 32 2.133 -2.490 8.653
265 HA THR 32 HA THR 32 2.773 -4.282 6.473
266 HB THR 32 HB THR 32 2.129 -4.929 9.352
267 HG1 THR 32 1HG THR 32 4.418 -5.157 9.497
268 1HG2 THR 32 1HG2 THR 32 3.448 -6.667 7.262
269 2HG2 THR 32 2HG2 THR 32 1.744 -6.782 7.705
270 3HG2 THR 32 3HG2 THR 32 2.992 -7.125 8.904
271 H ILE 33 H ILE 33 1.425 -5.488 5.347
272 HA ILE 33 HA ILE 33 -1.317 -5.889 6.315
273 HB ILE 33 HB ILE 33 -0.748 -5.349 3.408
274 1HG1 ILE 33 2HG1 ILE 33 -2.088 -3.119 4.402
275 2HG1 ILE 33 1HG1 ILE 33 -0.841 -3.438 5.603
276 1HG2 ILE 33 1HG2 ILE 33 -2.901 -5.809 3.129
277 2HG2 ILE 33 2HG2 ILE 33 -3.357 -4.625 4.353
278 3HG2 ILE 33 3HG2 ILE 33 -2.980 -6.283 4.826
279 1HD1 ILE 33 1HD1 ILE 33 -0.485 -1.957 3.376
280 2HD1 ILE 33 2HD1 ILE 33 0.071 -3.536 2.819
281 3HD1 ILE 33 3HD1 ILE 33 0.810 -2.791 4.236
282 HA PRO 34 HA PRO 34 0.325 -10.024 5.439
283 1HB PRO 34 2HB PRO 34 -2.377 -10.756 6.415
284 2HB PRO 34 1HB PRO 34 -0.798 -11.343 6.939
285 1HG PRO 34 2HG PRO 34 -2.198 -9.663 8.458
286 2HG PRO 34 1HG PRO 34 -0.435 -9.513 8.320
287 1HD PRO 34 2HD PRO 34 -2.584 -7.898 6.999
288 2HD PRO 34 1HD PRO 34 -1.043 -7.363 7.702
289 H GLY 35 H GLY 35 0.265 -9.739 3.163
290 1HA GLY 35 2HA GLY 35 -0.447 -10.246 1.043
291 2HA GLY 35 1HA GLY 35 -1.546 -11.389 1.798
292 H HIS 36 H HIS 36 -3.674 -10.815 2.166
293 HA HIS 36 HA HIS 36 -4.624 -8.153 1.647
294 1HB HIS 36 2HB HIS 36 -4.360 -9.832 -0.571
295 2HB HIS 36 1HB HIS 36 -6.068 -9.917 -0.151
296 HD2 HIS 36 2HD HIS 36 -7.227 -8.257 -1.907
297 HE1 HIS 36 1HE HIS 36 -4.579 -4.996 -1.387
298 HE2 HIS 36 2HE HIS 36 -6.598 -5.855 -2.658
299 H LEU 37 H LEU 37 -5.601 -8.273 3.648
300 HA LEU 37 HA LEU 37 -7.191 -10.467 4.482
301 1HB LEU 37 2HB LEU 37 -8.144 -8.439 6.015
302 2HB LEU 37 1HB LEU 37 -6.729 -9.395 6.391
303 HG LEU 37 HG LEU 37 -6.488 -6.913 6.686
304 1HD1 LEU 37 1HD1 LEU 37 -4.247 -6.903 6.080
305 2HD1 LEU 37 2HD1 LEU 37 -4.520 -7.934 4.676
306 3HD1 LEU 37 3HD1 LEU 37 -4.620 -8.613 6.301
307 1HD2 LEU 37 1HD2 LEU 37 -5.852 -6.347 3.937
308 2HD2 LEU 37 2HD2 LEU 37 -6.903 -5.474 5.052
309 3HD2 LEU 37 3HD2 LEU 37 -7.544 -6.817 4.106
310 H ASN 38 H ASN 38 -7.878 -7.492 2.778
311 HA ASN 38 HA ASN 38 -10.102 -8.320 1.434
312 1HB ASN 38 2HB ASN 38 -10.758 -7.792 4.204
313 2HB ASN 38 1HB ASN 38 -11.637 -6.700 3.138
314 1HD2 ASN 38 1HD2 ASN 38 -12.533 -7.881 1.133
315 2HD2 ASN 38 2HD2 ASN 38 -13.370 -9.356 1.464
316 H SER 39 H SER 39 -10.293 -5.378 3.372
317 HA SER 39 HA SER 39 -9.464 -3.823 1.016
318 1HB SER 39 2HB SER 39 -11.764 -3.171 2.875
319 2HB SER 39 1HB SER 39 -11.207 -2.165 1.538
320 HG SER 39 HG SER 39 -11.772 -4.778 0.869
321 H TYR 40 H TYR 40 -7.715 -2.671 1.475
322 HA TYR 40 HA TYR 40 -7.376 -1.678 4.228
323 1HB TYR 40 2HB TYR 40 -5.692 -3.380 3.469
324 2HB TYR 40 1HB TYR 40 -5.172 -2.235 2.237
325 HD1 TYR 40 1HD TYR 40 -5.311 -2.887 5.860
326 HD2 TYR 40 2HD TYR 40 -3.793 -0.354 2.796
327 HE1 TYR 40 1HE TYR 40 -3.779 -1.855 7.480
328 HE2 TYR 40 2HE TYR 40 -2.256 0.685 4.409
329 HH TYR 40 HH TYR 40 -1.403 0.568 6.477
330 H THR 41 H THR 41 -7.771 0.422 4.357
331 HA THR 41 HA THR 41 -6.882 2.154 2.145
332 HB THR 41 HB THR 41 -9.244 2.225 2.040
333 HG1 THR 41 1HG THR 41 -8.298 4.309 2.030
334 1HG2 THR 41 1HG2 THR 41 -10.366 3.045 4.352
335 2HG2 THR 41 2HG2 THR 41 -9.058 2.042 4.981
336 3HG2 THR 41 3HG2 THR 41 -10.245 1.351 3.874
337 H ILE 42 H ILE 42 -5.550 3.768 2.668
338 HA ILE 42 HA ILE 42 -4.759 4.083 5.433
339 HB ILE 42 HB ILE 42 -3.655 5.014 2.828
340 1HG1 ILE 42 2HG1 ILE 42 -2.956 2.856 3.642
341 2HG1 ILE 42 1HG1 ILE 42 -1.623 3.977 3.823
342 1HG2 ILE 42 1HG2 ILE 42 -3.452 7.038 3.995
343 2HG2 ILE 42 2HG2 ILE 42 -1.899 6.238 4.231
344 3HG2 ILE 42 3HG2 ILE 42 -3.102 6.225 5.520
345 1HD1 ILE 42 1HD1 ILE 42 -1.449 3.249 5.904
346 2HD1 ILE 42 2HD1 ILE 42 -3.009 2.432 5.821
347 3HD1 ILE 42 3HD1 ILE 42 -2.931 4.143 6.240
348 H LYS 43 H LYS 43 -5.408 5.662 6.755
349 HA LYS 43 HA LYS 43 -6.886 7.926 5.586
350 1HB LYS 43 2HB LYS 43 -8.050 8.065 7.783
351 2HB LYS 43 1HB LYS 43 -8.347 6.559 6.925
352 1HG LYS 43 2HG LYS 43 -6.073 6.441 8.750
353 2HG LYS 43 1HG LYS 43 -7.614 6.776 9.543
354 1HD LYS 43 2HD LYS 43 -8.326 4.682 9.242
355 2HD LYS 43 1HD LYS 43 -7.849 4.688 7.542
356 1HE LYS 43 2HE LYS 43 -6.715 2.986 9.061
357 2HE LYS 43 1HE LYS 43 -5.671 3.971 8.038
358 1HZ LYS 43 1HZ LYS 43 -6.232 5.010 10.698
359 2HZ LYS 43 2HZ LYS 43 -4.796 5.038 9.806
360 3HZ LYS 43 3HZ LYS 43 -5.251 3.632 10.627
361 H GLY 44 H GLY 44 -7.018 9.670 7.602
362 1HA GLY 44 2HA GLY 44 -5.863 11.217 8.860
363 2HA GLY 44 1HA GLY 44 -4.539 10.067 8.969
364 H LEU 45 H LEU 45 -5.972 11.406 6.028
365 HA LEU 45 HA LEU 45 -3.588 13.048 5.600
366 1HB LEU 45 2HB LEU 45 -4.427 11.650 3.182
367 2HB LEU 45 1HB LEU 45 -2.811 11.952 3.800
368 HG LEU 45 HG LEU 45 -4.100 9.943 5.414
369 1HD1 LEU 45 1HD1 LEU 45 -5.012 9.861 2.783
370 2HD1 LEU 45 2HD1 LEU 45 -5.088 8.565 3.976
371 3HD1 LEU 45 3HD1 LEU 45 -3.724 8.657 2.859
372 1HD2 LEU 45 1HD2 LEU 45 -1.629 10.495 4.895
373 2HD2 LEU 45 2HD2 LEU 45 -1.876 9.476 3.475
374 3HD2 LEU 45 3HD2 LEU 45 -2.108 8.808 5.093
375 H LYS 46 H LYS 46 -3.976 14.020 3.147
376 HA LYS 46 HA LYS 46 -6.698 14.698 2.601
377 1HB LYS 46 2HB LYS 46 -6.142 17.221 2.909
378 2HB LYS 46 1HB LYS 46 -6.635 16.272 4.304
379 1HG LYS 46 2HG LYS 46 -4.830 17.161 5.275
380 2HG LYS 46 1HG LYS 46 -3.940 15.945 4.356
381 1HD LYS 46 2HD LYS 46 -2.783 17.705 3.571
382 2HD LYS 46 1HD LYS 46 -4.181 17.931 2.516
383 1HE LYS 46 2HE LYS 46 -4.904 19.755 3.644
384 2HE LYS 46 1HE LYS 46 -4.373 19.132 5.206
385 1HZ LYS 46 1HZ LYS 46 -2.200 19.752 3.434
386 2HZ LYS 46 2HZ LYS 46 -2.444 20.208 5.045
387 3HZ LYS 46 3HZ LYS 46 -3.155 21.101 3.797
388 HA PRO 47 HA PRO 47 -5.053 15.351 -1.434
389 1HB PRO 47 2HB PRO 47 -7.005 17.531 -1.811
390 2HB PRO 47 1HB PRO 47 -6.836 16.009 -2.690
391 1HG PRO 47 2HG PRO 47 -8.861 16.418 -0.987
392 2HG PRO 47 1HG PRO 47 -8.096 14.828 -1.156
393 1HD PRO 47 2HD PRO 47 -7.734 16.889 0.985
394 2HD PRO 47 1HD PRO 47 -7.847 15.123 1.130
395 H GLY 48 H GLY 48 -4.179 17.039 -2.904
396 1HA GLY 48 2HA GLY 48 -3.302 19.218 -3.271
397 2HA GLY 48 1HA GLY 48 -3.414 19.522 -1.545
398 H VAL 49 H VAL 49 -2.169 16.558 -1.586
399 HA VAL 49 HA VAL 49 0.609 17.534 -1.779
400 HB VAL 49 HB VAL 49 0.101 15.179 -0.082
401 1HG1 VAL 49 1HG1 VAL 49 2.292 15.798 0.016
402 2HG1 VAL 49 2HG1 VAL 49 1.656 16.701 1.394
403 3HG1 VAL 49 3HG1 VAL 49 1.929 17.518 -0.145
404 1HG2 VAL 49 1HG2 VAL 49 -0.329 17.557 1.504
405 2HG2 VAL 49 2HG2 VAL 49 -1.251 16.051 1.451
406 3HG2 VAL 49 3HG2 VAL 49 -1.597 17.342 0.297
407 H VAL 50 H VAL 50 1.787 16.566 -3.302
408 HA VAL 50 HA VAL 50 0.856 14.108 -4.527
409 HB VAL 50 HB VAL 50 1.735 15.631 -6.104
410 1HG1 VAL 50 1HG1 VAL 50 2.912 17.152 -4.703
411 2HG1 VAL 50 2HG1 VAL 50 4.052 16.555 -5.910
412 3HG1 VAL 50 3HG1 VAL 50 4.098 15.923 -4.263
413 1HG2 VAL 50 1HG2 VAL 50 4.195 14.360 -6.393
414 2HG2 VAL 50 2HG2 VAL 50 2.663 13.884 -7.124
415 3HG2 VAL 50 3HG2 VAL 50 3.165 13.175 -5.589
416 H TYR 51 H TYR 51 1.162 12.369 -3.274
417 HA TYR 51 HA TYR 51 3.608 12.098 -1.716
418 1HB TYR 51 2HB TYR 51 0.889 11.168 -1.503
419 2HB TYR 51 1HB TYR 51 1.999 9.810 -1.403
420 HD1 TYR 51 1HD TYR 51 3.947 10.039 0.306
421 HD2 TYR 51 2HD TYR 51 0.439 12.437 0.368
422 HE1 TYR 51 1HE TYR 51 4.345 10.551 2.679
423 HE2 TYR 51 2HE TYR 51 0.822 12.953 2.741
424 HH TYR 51 HH TYR 51 2.527 11.338 4.723
425 H GLU 52 H GLU 52 4.759 10.070 -1.675
426 HA GLU 52 HA GLU 52 4.748 8.654 -4.264
427 1HB GLU 52 2HB GLU 52 6.806 9.856 -4.167
428 2HB GLU 52 1HB GLU 52 7.046 9.453 -2.472
429 1HG GLU 52 2HG GLU 52 8.504 7.987 -3.380
430 2HG GLU 52 1HG GLU 52 7.053 6.989 -3.452
431 H GLY 53 H GLY 53 4.380 6.485 -4.113
432 1HA GLY 53 2HA GLY 53 4.552 5.324 -1.402
433 2HA GLY 53 1HA GLY 53 3.262 4.938 -2.524
434 H GLN 54 H GLN 54 5.259 3.296 -1.103
435 HA GLN 54 HA GLN 54 6.209 1.788 -3.437
436 1HB GLN 54 2HB GLN 54 7.796 2.419 -0.944
437 2HB GLN 54 1HB GLN 54 8.258 1.179 -2.102
438 1HG GLN 54 2HG GLN 54 8.108 3.115 -3.827
439 2HG GLN 54 1HG GLN 54 8.253 4.146 -2.405
440 1HE2 GLN 54 1HE2 GLN 54 9.952 2.475 -0.897
441 2HE2 GLN 54 2HE2 GLN 54 11.503 2.465 -1.658
442 H LEU 55 H LEU 55 5.715 -0.343 -3.352
443 HA LEU 55 HA LEU 55 4.735 -1.389 -0.776
444 1HB LEU 55 2HB LEU 55 3.162 -0.992 -2.881
445 2HB LEU 55 1HB LEU 55 3.800 -2.553 -3.353
446 HG LEU 55 HG LEU 55 2.780 -3.658 -1.565
447 1HD1 LEU 55 1HD1 LEU 55 1.529 -2.112 0.186
448 2HD1 LEU 55 2HD1 LEU 55 2.828 -1.002 -0.251
449 3HD1 LEU 55 3HD1 LEU 55 3.211 -2.597 0.397
450 1HD2 LEU 55 1HD2 LEU 55 1.096 -1.557 -2.810
451 2HD2 LEU 55 2HD2 LEU 55 0.409 -2.503 -1.491
452 3HD2 LEU 55 3HD2 LEU 55 1.000 -3.313 -2.942
453 H ILE 56 H ILE 56 6.273 -2.668 0.016
454 HA ILE 56 HA ILE 56 7.593 -4.576 -1.804
455 HB ILE 56 HB ILE 56 8.652 -3.405 0.771
456 1HG1 ILE 56 2HG1 ILE 56 10.459 -2.618 -0.962
457 2HG1 ILE 56 1HG1 ILE 56 9.173 -2.858 -2.140
458 1HG2 ILE 56 1HG2 ILE 56 10.780 -4.576 -0.023
459 2HG2 ILE 56 2HG2 ILE 56 9.727 -5.508 -1.089
460 3HG2 ILE 56 3HG2 ILE 56 9.506 -5.587 0.660
461 1HD1 ILE 56 1HD1 ILE 56 8.549 -1.250 0.267
462 2HD1 ILE 56 2HD1 ILE 56 7.976 -1.083 -1.393
463 3HD1 ILE 56 3HD1 ILE 56 9.595 -0.535 -0.958
464 H SER 57 H SER 57 6.910 -6.593 -1.542
465 HA SER 57 HA SER 57 5.699 -7.440 0.960
466 1HB SER 57 2HB SER 57 5.022 -7.974 -1.596
467 2HB SER 57 1HB SER 57 6.045 -9.370 -1.263
468 HG SER 57 HG SER 57 4.512 -9.118 0.831
469 H ILE 58 H ILE 58 6.742 -8.575 2.457
470 HA ILE 58 HA ILE 58 9.325 -9.795 1.737
471 HB ILE 58 HB ILE 58 8.421 -8.706 4.407
472 1HG1 ILE 58 2HG1 ILE 58 10.844 -7.549 3.550
473 2HG1 ILE 58 1HG1 ILE 58 9.781 -7.543 2.146
474 1HG2 ILE 58 1HG2 ILE 58 10.251 -9.592 5.422
475 2HG2 ILE 58 2HG2 ILE 58 11.222 -9.559 3.951
476 3HG2 ILE 58 3HG2 ILE 58 10.019 -10.826 4.184
477 1HD1 ILE 58 1HD1 ILE 58 9.797 -5.540 3.804
478 2HD1 ILE 58 2HD1 ILE 58 8.743 -6.580 4.763
479 3HD1 ILE 58 3HD1 ILE 58 8.277 -6.120 3.126
480 H GLN 59 H GLN 59 9.481 -11.922 1.862
481 HA GLN 59 HA GLN 59 7.367 -13.420 3.238
482 1HB GLN 59 2HB GLN 59 8.700 -13.754 0.746
483 2HB GLN 59 1HB GLN 59 9.120 -15.126 1.763
484 1HG GLN 59 2HG GLN 59 6.279 -14.245 1.404
485 2HG GLN 59 1HG GLN 59 7.071 -15.329 0.262
486 1HE2 GLN 59 1HE2 GLN 59 7.319 -17.432 0.770
487 2HE2 GLN 59 2HE2 GLN 59 6.779 -18.148 2.246
488 H GLN 60 H GLN 60 8.405 -15.754 3.865
489 HA GLN 60 HA GLN 60 9.956 -15.247 6.164
490 1HB GLN 60 2HB GLN 60 9.480 -17.879 4.753
491 2HB GLN 60 1HB GLN 60 10.067 -17.686 6.399
492 1HG GLN 60 2HG GLN 60 7.569 -16.278 5.932
493 2HG GLN 60 1HG GLN 60 7.446 -18.009 5.627
494 1HE2 GLN 60 1HE2 GLN 60 5.974 -17.905 7.473
495 2HE2 GLN 60 2HE2 GLN 60 6.630 -18.010 9.067
496 H TYR 61 H TYR 61 10.801 -16.006 2.885
497 HA TYR 61 HA TYR 61 13.589 -16.513 3.626
498 1HB TYR 61 2HB TYR 61 12.691 -16.573 0.785
499 2HB TYR 61 1HB TYR 61 13.863 -17.592 1.612
500 HD1 TYR 61 1HD TYR 61 12.797 -19.166 3.479
501 HD2 TYR 61 2HD TYR 61 10.670 -17.505 0.188
502 HE1 TYR 61 1HE TYR 61 11.105 -20.939 3.683
503 HE2 TYR 61 2HE TYR 61 8.973 -19.273 0.386
504 HH TYR 61 HH TYR 61 8.673 -21.448 1.284
505 H GLY 62 H GLY 62 11.721 -13.904 3.020
506 1HA GLY 62 2HA GLY 62 13.021 -11.777 3.060
507 2HA GLY 62 1HA GLY 62 13.938 -12.443 1.718
508 H HIS 63 H HIS 63 12.834 -10.007 1.395
509 HA HIS 63 HA HIS 63 10.225 -9.864 0.432
510 1HB HIS 63 2HB HIS 63 10.961 -7.839 -0.773
511 2HB HIS 63 1HB HIS 63 11.548 -7.868 0.887
512 HD2 HIS 63 2HD HIS 63 14.078 -7.057 1.005
513 HE1 HIS 63 1HE HIS 63 15.306 -8.450 -2.798
514 HE2 HIS 63 2HE HIS 63 16.068 -7.382 -0.627
515 H GLN 64 H GLN 64 9.376 -9.839 -1.705
516 HA GLN 64 HA GLN 64 11.000 -10.861 -3.870
517 1HB GLN 64 2HB GLN 64 8.914 -12.610 -4.101
518 2HB GLN 64 1HB GLN 64 10.494 -13.009 -3.440
519 1HG GLN 64 2HG GLN 64 9.591 -12.405 -1.180
520 2HG GLN 64 1HG GLN 64 8.002 -12.292 -1.925
521 1HE2 GLN 64 1HE2 GLN 64 10.478 -14.376 -0.799
522 2HE2 GLN 64 2HE2 GLN 64 9.624 -15.857 -1.025
523 H GLU 65 H GLU 65 8.825 -8.755 -2.850
524 HA GLU 65 HA GLU 65 7.685 -8.418 -5.520
525 1HB GLU 65 2HB GLU 65 6.178 -9.509 -3.469
526 2HB GLU 65 1HB GLU 65 5.737 -7.808 -3.435
527 1HG GLU 65 2HG GLU 65 4.733 -7.880 -5.475
528 2HG GLU 65 1HG GLU 65 5.772 -9.174 -6.067
529 H VAL 66 H VAL 66 8.215 -6.431 -6.141
530 HA VAL 66 HA VAL 66 7.969 -4.247 -4.194
531 HB VAL 66 HB VAL 66 10.264 -4.444 -4.129
532 1HG1 VAL 66 1HG1 VAL 66 10.415 -4.960 -7.086
533 2HG1 VAL 66 2HG1 VAL 66 10.278 -6.238 -5.877
534 3HG1 VAL 66 3HG1 VAL 66 11.684 -5.170 -5.881
535 1HG2 VAL 66 1HG2 VAL 66 10.788 -2.791 -6.389
536 2HG2 VAL 66 2HG2 VAL 66 10.699 -2.344 -4.684
537 3HG2 VAL 66 3HG2 VAL 66 9.246 -2.310 -5.682
538 H THR 67 H THR 67 6.651 -2.737 -4.931
539 HA THR 67 HA THR 67 6.604 -2.148 -7.809
540 HB THR 67 HB THR 67 4.079 -2.249 -6.160
541 HG1 THR 67 1HG THR 67 4.254 -4.350 -6.352
542 1HG2 THR 67 1HG2 THR 67 3.188 -2.523 -8.597
543 2HG2 THR 67 2HG2 THR 67 4.744 -1.826 -9.045
544 3HG2 THR 67 3HG2 THR 67 3.641 -0.923 -8.008
545 H ARG 68 H ARG 68 6.992 -0.062 -8.142
546 HA ARG 68 HA ARG 68 6.554 1.829 -5.943
547 1HB ARG 68 2HB ARG 68 8.007 2.599 -8.431
548 2HB ARG 68 1HB ARG 68 8.284 3.105 -6.769
549 1HG ARG 68 2HG ARG 68 9.705 1.417 -6.354
550 2HG ARG 68 1HG ARG 68 8.772 0.258 -7.301
551 1HD ARG 68 2HD ARG 68 9.642 1.328 -9.365
552 2HD ARG 68 1HD ARG 68 10.657 2.360 -8.359
553 HE ARG 68 HE ARG 68 11.097 -0.361 -7.732
554 1HH1 ARG 68 1HH1 ARG 68 11.757 2.017 -10.192
555 2HH1 ARG 68 2HH1 ARG 68 13.216 1.250 -10.723
556 1HH2 ARG 68 1HH2 ARG 68 13.014 -1.376 -8.423
557 2HH2 ARG 68 2HH2 ARG 68 13.930 -0.680 -9.717
558 H PHE 69 H PHE 69 5.049 3.366 -6.035
559 HA PHE 69 HA PHE 69 4.070 4.390 -8.546
560 1HB PHE 69 2HB PHE 69 1.677 3.866 -7.976
561 2HB PHE 69 1HB PHE 69 2.649 2.478 -8.448
562 HD1 PHE 69 1HD PHE 69 3.276 0.783 -6.817
563 HD2 PHE 69 2HD PHE 69 0.851 4.109 -5.732
564 HE1 PHE 69 1HE PHE 69 2.629 -0.370 -4.743
565 HE2 PHE 69 2HE PHE 69 0.202 2.963 -3.655
566 HZ PHE 69 HZ PHE 69 1.091 0.720 -3.158
567 H ASP 70 H ASP 70 3.476 6.448 -8.378
568 HA ASP 70 HA ASP 70 3.394 7.626 -5.700
569 1HB ASP 70 2HB ASP 70 3.217 9.743 -7.432
570 2HB ASP 70 1HB ASP 70 4.725 9.106 -6.783
571 H PHE 71 H PHE 71 1.659 9.033 -5.078
572 HA PHE 71 HA PHE 71 -0.699 9.064 -6.768
573 1HB PHE 71 2HB PHE 71 -2.142 7.949 -5.187
574 2HB PHE 71 1HB PHE 71 -0.781 6.894 -5.569
575 HD1 PHE 71 1HD PHE 71 -2.770 8.118 -2.990
576 HD2 PHE 71 2HD PHE 71 1.282 7.189 -3.904
577 HE1 PHE 71 1HE PHE 71 -2.287 7.877 -0.589
578 HE2 PHE 71 2HE PHE 71 1.771 6.947 -1.505
579 HZ PHE 71 HZ PHE 71 -0.014 7.291 0.156
580 H THR 72 H THR 72 -2.342 10.488 -6.068
581 HA THR 72 HA THR 72 -1.330 12.615 -4.321
582 HB THR 72 HB THR 72 -3.549 13.690 -5.476
583 HG1 THR 72 1HG THR 72 -3.911 12.826 -7.402
584 1HG2 THR 72 1HG2 THR 72 -1.681 15.006 -5.609
585 2HG2 THR 72 2HG2 THR 72 -1.765 14.455 -7.282
586 3HG2 THR 72 3HG2 THR 72 -0.652 13.681 -6.154
587 H THR 73 H THR 73 -3.055 13.869 -3.163
588 HA THR 73 HA THR 73 -4.766 14.061 -1.679
589 HB THR 73 HB THR 73 -5.680 11.403 -2.782
590 HG1 THR 73 1HG THR 73 -5.870 13.504 -3.995
591 1HG2 THR 73 1HG2 THR 73 -7.386 13.126 -1.033
592 2HG2 THR 73 2HG2 THR 73 -6.229 12.019 -0.288
593 3HG2 THR 73 3HG2 THR 73 -7.493 11.395 -1.351
594 H THR 74 H THR 74 -3.005 13.948 -0.187
595 HA THR 74 HA THR 74 -3.452 12.403 2.018
596 HB THR 74 HB THR 74 -2.840 10.347 1.183
597 HG1 THR 74 1HG THR 74 -1.251 11.320 2.872
598 1HG2 THR 74 1HG2 THR 74 -0.789 10.081 -0.328
599 2HG2 THR 74 2HG2 THR 74 -0.863 11.833 -0.526
600 3HG2 THR 74 3HG2 THR 74 -2.224 10.829 -1.031
601 H SER 75 H SER 75 -2.285 13.173 3.713
602 HA SER 75 HA SER 75 0.095 14.791 3.092
603 1HB SER 75 2HB SER 75 -2.154 15.981 3.791
604 2HB SER 75 1HB SER 75 -1.663 15.490 5.412
605 HG SER 75 HG SER 75 0.103 16.844 3.672
606 H THR 76 H THR 76 1.067 15.381 5.492
607 HA THR 76 HA THR 76 2.084 12.873 6.427
608 HB THR 76 HB THR 76 3.502 14.138 7.889
609 HG1 THR 76 1HG THR 76 2.142 15.657 8.766
610 1HG2 THR 76 1HG2 THR 76 4.681 14.597 6.051
611 2HG2 THR 76 2HG2 THR 76 3.881 16.168 6.010
612 3HG2 THR 76 3HG2 THR 76 3.216 14.815 5.096
613 H SER 77 H SER 77 1.941 12.047 8.573
614 HA SER 77 HA SER 77 -0.275 13.084 10.193
615 1HB SER 77 2HB SER 77 -0.340 10.257 10.412
616 2HB SER 77 1HB SER 77 -1.571 11.320 9.731
617 HG SER 77 HG SER 77 -0.911 9.804 8.192
618 H THR 78 H THR 78 0.019 12.972 12.361
619 HA THR 78 HA THR 78 2.198 11.350 13.433
620 HB THR 78 HB THR 78 2.610 13.602 14.884
621 HG1 THR 78 1HG THR 78 2.706 15.330 13.329
622 1HG2 THR 78 1HG2 THR 78 3.934 12.793 12.296
623 2HG2 THR 78 2HG2 THR 78 4.388 12.297 13.926
624 3HG2 THR 78 3HG2 THR 78 4.601 13.973 13.423
625 HA PRO 79 HA PRO 79 -1.584 11.690 16.180
626 1HB PRO 79 2HB PRO 79 -2.581 9.214 15.914
627 2HB PRO 79 1HB PRO 79 -2.939 10.484 14.737
628 1HG PRO 79 2HG PRO 79 -0.978 8.234 14.563
629 2HG PRO 79 1HG PRO 79 -2.062 8.875 13.315
630 1HD PRO 79 2HD PRO 79 0.613 9.500 13.525
631 2HD PRO 79 1HD PRO 79 -0.596 10.524 12.728
632 H GLY 80 H GLY 80 -1.991 8.817 17.198
633 1HA GLY 80 2HA GLY 80 0.125 7.581 18.299
634 2HA GLY 80 1HA GLY 80 -0.015 9.012 19.309
635 H SER 81 H SER 81 -2.361 9.405 20.080
636 HA SER 81 HA SER 81 -3.606 6.837 20.799
637 1HB SER 81 2HB SER 81 -3.910 7.547 23.070
638 2HB SER 81 1HB SER 81 -2.212 7.804 22.669
639 HG SER 81 HG SER 81 -2.480 9.864 22.970
640 H ARG 82 H ARG 82 -3.966 9.767 19.334
641 HA ARG 82 HA ARG 82 -6.743 10.187 20.109
642 1HB ARG 82 2HB ARG 82 -4.651 11.843 19.129
643 2HB ARG 82 1HB ARG 82 -5.952 11.878 17.948
644 1HG ARG 82 2HG ARG 82 -6.892 13.438 19.213
645 2HG ARG 82 1HG ARG 82 -7.255 12.155 20.369
646 1HD ARG 82 2HD ARG 82 -6.159 13.799 21.630
647 2HD ARG 82 1HD ARG 82 -4.926 12.581 21.314
648 HE ARG 82 HE ARG 82 -3.743 14.162 20.182
649 1HH1 ARG 82 1HH1 ARG 82 -7.079 15.167 20.304
650 2HH1 ARG 82 2HH1 ARG 82 -6.779 16.698 19.552
651 1HH2 ARG 82 1HH2 ARG 82 -3.342 16.178 19.193
652 2HH2 ARG 82 2HH2 ARG 82 -4.656 17.271 18.920
653 H SER 83 H SER 83 -8.478 9.704 18.873
654 HA SER 83 HA SER 83 -7.955 8.283 16.353
655 1HB SER 83 2HB SER 83 -10.305 8.162 18.254
656 2HB SER 83 1HB SER 83 -10.266 7.347 16.691
657 HG SER 83 HG SER 83 -9.117 5.835 17.568
658 H HIS 84 H HIS 84 -9.224 8.702 14.511
659 HA HIS 84 HA HIS 84 -10.848 11.147 14.587
660 1HB HIS 84 2HB HIS 84 -8.640 10.542 12.612
661 2HB HIS 84 1HB HIS 84 -9.823 11.830 12.403
662 HD2 HIS 84 2HD HIS 84 -6.375 11.815 13.251
663 HE1 HIS 84 1HE HIS 84 -8.020 14.407 16.165
664 HE2 HIS 84 2HE HIS 84 -5.914 13.753 14.912
665 H HIS 85 H HIS 85 -12.397 9.231 14.654
666 HA HIS 85 HA HIS 85 -12.972 8.304 11.918
667 1HB HIS 85 2HB HIS 85 -13.005 6.957 14.506
668 2HB HIS 85 1HB HIS 85 -14.516 6.757 13.623
669 HD2 HIS 85 2HD HIS 85 -10.765 5.758 13.367
670 HE1 HIS 85 1HE HIS 85 -12.960 3.715 10.379
671 HE2 HIS 85 2HE HIS 85 -10.667 4.065 11.403
672 H HIS 86 H HIS 86 -13.994 10.337 14.397
673 HA HIS 86 HA HIS 86 -16.368 11.063 12.952
674 1HB HIS 86 2HB HIS 86 -16.572 9.223 15.153
675 2HB HIS 86 1HB HIS 86 -17.366 10.736 15.575
676 HD2 HIS 86 2HD HIS 86 -19.172 11.561 13.296
677 HE1 HIS 86 1HE HIS 86 -20.147 7.485 12.704
678 HE2 HIS 86 2HE HIS 86 -20.913 9.879 12.365
679 H HIS 87 H HIS 87 -17.632 12.752 14.436
680 HA HIS 87 HA HIS 87 -17.577 14.861 15.288
681 1HB HIS 87 2HB HIS 87 -16.421 13.201 17.154
682 2HB HIS 87 1HB HIS 87 -15.211 14.466 16.975
683 HD2 HIS 87 2HD HIS 87 -15.714 16.718 18.355
684 HE1 HIS 87 1HE HIS 87 -19.762 15.876 19.259
685 HE2 HIS 87 2HE HIS 87 -17.881 17.558 19.508
686 H HIS 88 H HIS 88 -15.163 16.216 16.315
687 HA HIS 88 HA HIS 88 -14.269 17.317 13.828
688 1HB HIS 88 2HB HIS 88 -13.018 18.884 15.172
689 2HB HIS 88 1HB HIS 88 -14.607 18.672 15.896
690 HD2 HIS 88 2HD HIS 88 -12.000 19.658 17.658
691 HE1 HIS 88 1HE HIS 88 -12.354 15.797 19.353
692 HE2 HIS 88 2HE HIS 88 -11.235 18.063 19.555
693 H HIS 89 H HIS 89 -12.014 17.511 13.193
694 HA HIS 89 HA HIS 89 -10.151 15.578 14.296
695 1HB HIS 89 2HB HIS 89 -9.730 14.798 11.826
696 2HB HIS 89 1HB HIS 89 -11.008 14.056 12.782
697 HD2 HIS 89 2HD HIS 89 -12.537 13.456 10.561
698 HE1 HIS 89 1HE HIS 89 -13.231 17.488 9.478
699 HE2 HIS 89 2HE HIS 89 -13.758 15.068 8.935
Start of MODEL 4
1 1H MET 1 1HT MET 1 8.997 -26.339 -5.443
2 2H MET 1 2HT MET 1 7.641 -27.350 -5.385
3 3H MET 1 3HT MET 1 8.964 -27.765 -6.355
4 HA MET 1 HA MET 1 8.585 -28.054 -3.489
5 1HB MET 1 2HB MET 1 10.066 -29.525 -5.672
6 2HB MET 1 1HB MET 1 10.090 -30.024 -3.987
7 1HG MET 1 2HG MET 1 7.639 -30.259 -4.055
8 2HG MET 1 1HG MET 1 7.670 -29.846 -5.769
9 1HE MET 1 1HE MET 1 8.161 -32.443 -3.054
10 2HE MET 1 2HE MET 1 9.876 -32.273 -3.428
11 3HE MET 1 3HE MET 1 9.030 -33.770 -3.824
12 H ARG 2 H ARG 2 9.635 -26.323 -2.516
13 HA ARG 2 HA ARG 2 12.475 -26.589 -2.263
14 1HB ARG 2 2HB ARG 2 11.421 -24.677 -4.148
15 2HB ARG 2 1HB ARG 2 12.271 -23.847 -2.851
16 1HG ARG 2 2HG ARG 2 13.574 -26.186 -4.148
17 2HG ARG 2 1HG ARG 2 13.528 -24.646 -5.007
18 1HD ARG 2 2HD ARG 2 14.329 -23.817 -2.567
19 2HD ARG 2 1HD ARG 2 15.033 -25.434 -2.597
20 HE ARG 2 HE ARG 2 16.458 -24.767 -4.300
21 1HH1 ARG 2 1HH1 ARG 2 14.159 -22.254 -3.563
22 2HH1 ARG 2 2HH1 ARG 2 15.009 -21.036 -4.454
23 1HH2 ARG 2 1HH2 ARG 2 17.584 -23.170 -5.475
24 2HH2 ARG 2 2HH2 ARG 2 16.957 -21.557 -5.541
25 H GLY 3 H GLY 3 10.573 -26.913 -0.371
26 1HA GLY 3 2HA GLY 3 11.400 -25.349 1.744
27 2HA GLY 3 1HA GLY 3 9.988 -24.533 1.092
28 H SER 4 H SER 4 11.053 -26.825 3.262
29 HA SER 4 HA SER 4 8.829 -28.618 3.206
30 1HB SER 4 2HB SER 4 9.805 -28.960 5.697
31 2HB SER 4 1HB SER 4 10.546 -29.681 4.268
32 HG SER 4 HG SER 4 11.436 -27.622 5.883
33 H ASN 5 H ASN 5 7.050 -27.147 3.188
34 HA ASN 5 HA ASN 5 6.120 -26.515 5.848
35 1HB ASN 5 2HB ASN 5 7.318 -24.473 4.265
36 2HB ASN 5 1HB ASN 5 5.588 -24.155 4.332
37 1HD2 ASN 5 1HD2 ASN 5 6.758 -22.259 5.474
38 2HD2 ASN 5 2HD2 ASN 5 6.851 -22.389 7.194
39 H ALA 6 H ALA 6 4.380 -27.825 5.595
40 HA ALA 6 HA ALA 6 2.785 -27.868 3.229
41 1HB ALA 6 1HB ALA 6 2.549 -29.877 4.227
42 2HB ALA 6 2HB ALA 6 1.192 -29.072 5.019
43 3HB ALA 6 3HB ALA 6 2.742 -29.216 5.851
44 HA PRO 7 HA PRO 7 -0.372 -25.380 5.911
45 1HB PRO 7 2HB PRO 7 0.558 -24.092 8.103
46 2HB PRO 7 1HB PRO 7 -0.048 -25.751 8.159
47 1HG PRO 7 2HG PRO 7 2.776 -24.768 8.048
48 2HG PRO 7 1HG PRO 7 2.082 -26.070 9.031
49 1HD PRO 7 2HD PRO 7 3.472 -26.530 6.743
50 2HD PRO 7 1HD PRO 7 2.162 -27.587 7.303
51 H GLN 8 H GLN 8 -0.875 -23.484 5.008
52 HA GLN 8 HA GLN 8 1.305 -21.593 4.434
53 1HB GLN 8 2HB GLN 8 -1.015 -22.536 2.907
54 2HB GLN 8 1HB GLN 8 -0.807 -20.791 2.871
55 1HG GLN 8 2HG GLN 8 1.732 -21.967 2.449
56 2HG GLN 8 1HG GLN 8 0.574 -22.783 1.398
57 1HE2 GLN 8 1HE2 GLN 8 1.424 -19.508 2.471
58 2HE2 GLN 8 2HE2 GLN 8 1.229 -18.766 0.923
59 HA PRO 9 HA PRO 9 -0.674 -18.979 7.495
60 1HB PRO 9 2HB PRO 9 0.876 -16.772 7.012
61 2HB PRO 9 1HB PRO 9 1.378 -18.123 8.032
62 1HG PRO 9 2HG PRO 9 2.062 -17.545 5.177
63 2HG PRO 9 1HG PRO 9 3.107 -18.139 6.481
64 1HD PRO 9 2HD PRO 9 2.104 -19.783 4.599
65 2HD PRO 9 1HD PRO 9 2.338 -20.311 6.278
66 H SER 10 H SER 10 0.415 -17.020 4.735
67 HA SER 10 HA SER 10 -2.208 -16.607 3.696
68 1HB SER 10 2HB SER 10 -1.041 -14.588 5.571
69 2HB SER 10 1HB SER 10 -1.983 -14.021 4.193
70 HG SER 10 HG SER 10 -2.969 -14.727 6.429
71 H HIS 11 H HIS 11 -0.678 -17.420 2.014
72 HA HIS 11 HA HIS 11 0.482 -17.114 0.085
73 1HB HIS 11 2HB HIS 11 -0.800 -14.476 0.555
74 2HB HIS 11 1HB HIS 11 0.508 -14.518 -0.623
75 HD2 HIS 11 2HD HIS 11 0.039 -16.500 -2.726
76 HE1 HIS 11 1HE HIS 11 -4.150 -16.125 -2.258
77 HE2 HIS 11 2HE HIS 11 -2.295 -17.129 -3.666
78 H ILE 12 H ILE 12 1.303 -13.905 1.275
79 HA ILE 12 HA ILE 12 4.126 -14.692 1.313
80 HB ILE 12 HB ILE 12 3.677 -12.761 -0.051
81 1HG1 ILE 12 2HG1 ILE 12 4.766 -11.092 2.005
82 2HG1 ILE 12 1HG1 ILE 12 5.420 -12.717 2.197
83 1HG2 ILE 12 1HG2 ILE 12 1.569 -12.072 0.904
84 2HG2 ILE 12 2HG2 ILE 12 2.688 -10.709 0.886
85 3HG2 ILE 12 3HG2 ILE 12 2.374 -11.572 2.391
86 1HD1 ILE 12 1HD1 ILE 12 5.576 -10.967 -0.241
87 2HD1 ILE 12 2HD1 ILE 12 6.066 -12.660 -0.209
88 3HD1 ILE 12 3HD1 ILE 12 6.898 -11.483 0.805
89 H SER 13 H SER 13 5.473 -14.207 3.097
90 HA SER 13 HA SER 13 4.528 -14.774 5.611
91 1HB SER 13 2HB SER 13 6.990 -13.502 4.553
92 2HB SER 13 1HB SER 13 6.660 -13.248 6.267
93 HG SER 13 HG SER 13 6.487 -15.545 6.459
94 H LYS 14 H LYS 14 5.074 -11.569 4.188
95 HA LYS 14 HA LYS 14 2.863 -10.389 5.446
96 1HB LYS 14 2HB LYS 14 4.069 -8.855 7.002
97 2HB LYS 14 1HB LYS 14 4.083 -10.539 7.510
98 1HG LYS 14 2HG LYS 14 6.324 -10.769 7.176
99 2HG LYS 14 1HG LYS 14 6.372 -9.550 5.901
100 1HD LYS 14 2HD LYS 14 5.740 -7.929 7.868
101 2HD LYS 14 1HD LYS 14 6.435 -9.210 8.864
102 1HE LYS 14 2HE LYS 14 8.002 -8.377 6.503
103 2HE LYS 14 1HE LYS 14 7.876 -7.204 7.812
104 1HZ LYS 14 1HZ LYS 14 9.161 -9.839 7.796
105 2HZ LYS 14 2HZ LYS 14 8.504 -9.276 9.248
106 3HZ LYS 14 3HZ LYS 14 9.702 -8.380 8.461
107 H TYR 15 H TYR 15 2.450 -8.351 4.657
108 HA TYR 15 HA TYR 15 4.291 -7.396 2.577
109 1HB TYR 15 2HB TYR 15 1.575 -7.908 2.487
110 2HB TYR 15 1HB TYR 15 1.636 -6.163 2.700
111 HD1 TYR 15 1HD TYR 15 3.812 -5.230 1.125
112 HD2 TYR 15 2HD TYR 15 1.155 -8.449 0.301
113 HE1 TYR 15 1HE TYR 15 4.229 -4.951 -1.283
114 HE2 TYR 15 2HE TYR 15 1.566 -8.182 -2.107
115 HH TYR 15 HH TYR 15 3.434 -7.235 -3.564
116 H ILE 16 H ILE 16 5.096 -5.320 2.628
117 HA ILE 16 HA ILE 16 4.380 -3.718 4.995
118 HB ILE 16 HB ILE 16 7.026 -4.066 3.608
119 1HG1 ILE 16 2HG1 ILE 16 6.408 -5.593 5.470
120 2HG1 ILE 16 1HG1 ILE 16 7.826 -4.612 5.827
121 1HG2 ILE 16 1HG2 ILE 16 7.457 -1.897 3.891
122 2HG2 ILE 16 2HG2 ILE 16 7.455 -2.219 5.624
123 3HG2 ILE 16 3HG2 ILE 16 5.986 -1.650 4.833
124 1HD1 ILE 16 1HD1 ILE 16 6.841 -3.633 7.568
125 2HD1 ILE 16 2HD1 ILE 16 5.678 -4.954 7.467
126 3HD1 ILE 16 3HD1 ILE 16 5.322 -3.405 6.702
127 H LEU 17 H LEU 17 3.594 -1.742 4.659
128 HA LEU 17 HA LEU 17 3.670 -0.690 1.915
129 1HB LEU 17 2HB LEU 17 1.423 -1.048 2.827
130 2HB LEU 17 1HB LEU 17 1.810 -0.043 4.209
131 HG LEU 17 HG LEU 17 2.162 1.859 2.544
132 1HD1 LEU 17 1HD1 LEU 17 1.702 -0.248 0.717
133 2HD1 LEU 17 2HD1 LEU 17 1.985 1.459 0.373
134 3HD1 LEU 17 3HD1 LEU 17 0.339 0.866 0.599
135 1HD2 LEU 17 1HD2 LEU 17 -0.445 0.597 3.257
136 2HD2 LEU 17 2HD2 LEU 17 -0.430 2.014 2.207
137 3HD2 LEU 17 3HD2 LEU 17 0.267 2.107 3.825
138 H ARG 18 H ARG 18 5.219 0.749 1.624
139 HA ARG 18 HA ARG 18 5.807 2.630 3.803
140 1HB ARG 18 2HB ARG 18 8.098 2.640 2.321
141 2HB ARG 18 1HB ARG 18 7.854 1.696 3.784
142 1HG ARG 18 2HG ARG 18 6.845 -0.011 1.980
143 2HG ARG 18 1HG ARG 18 8.023 0.830 0.971
144 1HD ARG 18 2HD ARG 18 8.765 -0.235 3.675
145 2HD ARG 18 1HD ARG 18 8.778 -1.274 2.250
146 HE ARG 18 HE ARG 18 10.379 0.398 1.292
147 1HH1 ARG 18 1HH1 ARG 18 10.030 -0.001 4.737
148 2HH1 ARG 18 2HH1 ARG 18 11.636 0.544 5.091
149 1HH2 ARG 18 1HH2 ARG 18 12.493 1.116 1.751
150 2HH2 ARG 18 2HH2 ARG 18 13.035 1.179 3.394
151 H TRP 19 H TRP 19 5.600 4.718 3.342
152 HA TRP 19 HA TRP 19 5.933 5.654 0.619
153 1HB TRP 19 2HB TRP 19 3.749 6.595 0.365
154 2HB TRP 19 1HB TRP 19 3.551 4.897 0.779
155 HD1 TRP 19 HD TRP 19 2.565 8.323 1.854
156 HE1 TRP 19 1HE TRP 19 1.142 8.203 3.998
157 HE3 TRP 19 3HE TRP 19 3.376 3.431 3.088
158 HZ2 TRP 19 2HZ TRP 19 0.455 6.283 5.950
159 HZ3 TRP 19 3HZ TRP 19 2.299 2.530 5.109
160 HH2 TRP 19 HH TRP 19 0.870 3.927 6.509
161 H ARG 20 H ARG 20 6.207 7.884 0.431
162 HA ARG 20 HA ARG 20 6.164 9.522 2.835
163 1HB ARG 20 2HB ARG 20 8.461 10.114 2.785
164 2HB ARG 20 1HB ARG 20 8.420 8.360 2.685
165 1HG ARG 20 2HG ARG 20 9.241 8.321 0.574
166 2HG ARG 20 1HG ARG 20 8.470 9.844 0.126
167 1HD ARG 20 2HD ARG 20 10.167 11.121 1.025
168 2HD ARG 20 1HD ARG 20 10.678 9.849 2.132
169 HE ARG 20 HE ARG 20 11.844 8.812 0.362
170 1HH1 ARG 20 1HH1 ARG 20 10.356 11.824 -0.564
171 2HH1 ARG 20 2HH1 ARG 20 11.325 12.015 -1.986
172 1HH2 ARG 20 1HH2 ARG 20 13.125 9.054 -1.509
173 2HH2 ARG 20 2HH2 ARG 20 12.899 10.440 -2.524
174 HA PRO 21 HA PRO 21 5.022 12.796 0.108
175 1HB PRO 21 2HB PRO 21 7.162 14.513 1.236
176 2HB PRO 21 1HB PRO 21 5.420 14.785 1.172
177 1HG PRO 21 2HG PRO 21 6.618 14.140 3.467
178 2HG PRO 21 1HG PRO 21 5.013 13.508 3.061
179 1HD PRO 21 2HD PRO 21 7.678 12.157 2.934
180 2HD PRO 21 1HD PRO 21 6.106 11.515 3.452
181 H LYS 22 H LYS 22 5.512 12.543 -1.969
182 HA LYS 22 HA LYS 22 8.056 12.001 -3.002
183 1HB LYS 22 2HB LYS 22 5.710 11.625 -4.028
184 2HB LYS 22 1HB LYS 22 5.877 13.266 -4.635
185 1HG LYS 22 2HG LYS 22 8.128 11.419 -5.146
186 2HG LYS 22 1HG LYS 22 6.623 11.119 -6.020
187 1HD LYS 22 2HD LYS 22 6.744 13.688 -6.506
188 2HD LYS 22 1HD LYS 22 8.458 13.475 -6.141
189 1HE LYS 22 2HE LYS 22 7.608 11.379 -7.883
190 2HE LYS 22 1HE LYS 22 7.096 12.925 -8.557
191 1HZ LYS 22 1HZ LYS 22 9.840 12.045 -7.885
192 2HZ LYS 22 2HZ LYS 22 9.459 13.675 -8.133
193 3HZ LYS 22 3HZ LYS 22 9.239 12.555 -9.382
194 H ASN 23 H ASN 23 6.417 15.046 -2.428
195 HA ASN 23 HA ASN 23 8.552 16.477 -3.830
196 1HB ASN 23 2HB ASN 23 7.126 18.266 -4.067
197 2HB ASN 23 1HB ASN 23 5.969 16.941 -4.038
198 1HD2 ASN 23 1HD2 ASN 23 4.697 16.622 -2.205
199 2HD2 ASN 23 2HD2 ASN 23 4.485 17.857 -1.016
200 H SER 24 H SER 24 7.100 16.176 -0.616
201 HA SER 24 HA SER 24 8.899 18.133 0.513
202 1HB SER 24 2HB SER 24 6.438 17.011 1.276
203 2HB SER 24 1HB SER 24 7.597 16.505 2.504
204 HG SER 24 HG SER 24 6.436 18.840 2.296
205 H VAL 25 H VAL 25 9.292 15.014 -0.435
206 HA VAL 25 HA VAL 25 10.580 13.225 0.236
207 HB VAL 25 HB VAL 25 12.967 13.812 0.367
208 1HG1 VAL 25 1HG1 VAL 25 13.040 15.110 -1.821
209 2HG1 VAL 25 2HG1 VAL 25 11.278 15.138 -1.733
210 3HG1 VAL 25 3HG1 VAL 25 12.133 13.598 -1.817
211 1HG2 VAL 25 1HG2 VAL 25 12.177 16.703 0.147
212 2HG2 VAL 25 2HG2 VAL 25 13.771 16.016 0.462
213 3HG2 VAL 25 3HG2 VAL 25 12.518 15.943 1.702
214 H GLY 26 H GLY 26 9.034 13.963 2.424
215 1HA GLY 26 2HA GLY 26 10.683 14.305 4.754
216 2HA GLY 26 1HA GLY 26 8.960 13.961 4.736
217 H ARG 27 H ARG 27 9.439 12.532 6.533
218 HA ARG 27 HA ARG 27 11.075 10.223 6.151
219 1HB ARG 27 2HB ARG 27 9.176 11.160 8.261
220 2HB ARG 27 1HB ARG 27 9.687 9.478 8.259
221 1HG ARG 27 2HG ARG 27 11.793 11.551 8.051
222 2HG ARG 27 1HG ARG 27 10.986 11.346 9.606
223 1HD ARG 27 2HD ARG 27 12.432 9.229 8.020
224 2HD ARG 27 1HD ARG 27 12.961 9.960 9.534
225 HE ARG 27 HE ARG 27 10.598 8.214 9.273
226 1HH1 ARG 27 1HH1 ARG 27 13.297 9.469 11.083
227 2HH1 ARG 27 2HH1 ARG 27 12.996 8.474 12.468
228 1HH2 ARG 27 1HH2 ARG 27 10.193 6.901 11.090
229 2HH2 ARG 27 2HH2 ARG 27 11.232 7.014 12.472
230 H TRP 28 H TRP 28 10.118 7.986 6.529
231 HA TRP 28 HA TRP 28 7.902 7.635 4.644
232 1HB TRP 28 2HB TRP 28 10.037 5.761 5.659
233 2HB TRP 28 1HB TRP 28 8.669 5.210 4.700
234 HD1 TRP 28 HD TRP 28 11.504 7.850 4.343
235 HE1 TRP 28 1HE TRP 28 12.252 7.865 1.880
236 HE3 TRP 28 3HE TRP 28 8.202 4.427 2.470
237 HZ2 TRP 28 2HZ TRP 28 11.536 6.593 -0.538
238 HZ3 TRP 28 3HZ TRP 28 8.298 3.882 0.073
239 HH2 TRP 28 HH TRP 28 9.931 4.943 -1.398
240 H LYS 29 H LYS 29 6.564 5.583 5.111
241 HA LYS 29 HA LYS 29 5.943 5.303 7.965
242 1HB LYS 29 2HB LYS 29 3.601 5.346 6.160
243 2HB LYS 29 1HB LYS 29 3.768 5.963 7.798
244 1HG LYS 29 2HG LYS 29 5.365 7.607 6.180
245 2HG LYS 29 1HG LYS 29 3.849 7.372 5.309
246 1HD LYS 29 2HD LYS 29 3.362 9.206 6.628
247 2HD LYS 29 1HD LYS 29 2.757 7.875 7.617
248 1HE LYS 29 2HE LYS 29 4.095 8.501 9.273
249 2HE LYS 29 1HE LYS 29 5.498 8.237 8.238
250 1HZ LYS 29 1HZ LYS 29 5.363 10.506 9.155
251 2HZ LYS 29 2HZ LYS 29 3.920 10.750 8.307
252 3HZ LYS 29 3HZ LYS 29 5.361 10.483 7.463
253 H GLU 30 H GLU 30 5.328 3.224 8.538
254 HA GLU 30 HA GLU 30 5.209 1.290 6.317
255 1HB GLU 30 2HB GLU 30 6.590 1.127 8.975
256 2HB GLU 30 1HB GLU 30 6.144 -0.331 8.099
257 1HG GLU 30 2HG GLU 30 7.962 -0.166 6.858
258 2HG GLU 30 1HG GLU 30 7.457 1.427 6.295
259 H ALA 31 H ALA 31 3.624 -0.146 6.248
260 HA ALA 31 HA ALA 31 1.951 -0.643 8.594
261 1HB ALA 31 1HB ALA 31 0.949 1.219 7.193
262 2HB ALA 31 2HB ALA 31 -0.093 -0.171 7.497
263 3HB ALA 31 3HB ALA 31 0.703 0.011 5.933
264 H THR 32 H THR 32 1.928 -2.803 8.832
265 HA THR 32 HA THR 32 2.555 -4.506 6.580
266 HB THR 32 HB THR 32 1.948 -5.293 9.433
267 HG1 THR 32 1HG THR 32 3.836 -4.074 9.360
268 1HG2 THR 32 1HG2 THR 32 3.163 -6.846 7.138
269 2HG2 THR 32 2HG2 THR 32 1.604 -7.152 7.905
270 3HG2 THR 32 3HG2 THR 32 3.098 -7.402 8.811
271 H ILE 33 H ILE 33 1.288 -5.924 5.573
272 HA ILE 33 HA ILE 33 -1.483 -6.276 6.462
273 HB ILE 33 HB ILE 33 -0.928 -6.014 3.530
274 1HG1 ILE 33 2HG1 ILE 33 -1.945 -3.597 4.907
275 2HG1 ILE 33 1HG1 ILE 33 -0.231 -3.938 5.119
276 1HG2 ILE 33 1HG2 ILE 33 -3.104 -6.430 3.459
277 2HG2 ILE 33 2HG2 ILE 33 -3.400 -4.911 4.304
278 3HG2 ILE 33 3HG2 ILE 33 -3.198 -6.404 5.219
279 1HD1 ILE 33 1HD1 ILE 33 0.265 -3.426 2.986
280 2HD1 ILE 33 2HD1 ILE 33 -1.228 -2.494 3.096
281 3HD1 ILE 33 3HD1 ILE 33 -1.241 -4.096 2.360
282 HA PRO 34 HA PRO 34 0.227 -10.433 5.909
283 1HB PRO 34 2HB PRO 34 -2.502 -11.144 6.818
284 2HB PRO 34 1HB PRO 34 -0.937 -11.667 7.445
285 1HG PRO 34 2HG PRO 34 -2.423 -9.915 8.792
286 2HG PRO 34 1HG PRO 34 -0.659 -9.741 8.713
287 1HD PRO 34 2HD PRO 34 -2.778 -8.265 7.196
288 2HD PRO 34 1HD PRO 34 -1.282 -7.649 7.929
289 H GLY 35 H GLY 35 0.218 -10.187 3.590
290 1HA GLY 35 2HA GLY 35 -0.424 -10.771 1.467
291 2HA GLY 35 1HA GLY 35 -1.340 -12.053 2.241
292 H HIS 36 H HIS 36 -2.038 -8.724 2.957
293 HA HIS 36 HA HIS 36 -3.880 -7.436 2.619
294 1HB HIS 36 2HB HIS 36 -3.263 -8.612 0.010
295 2HB HIS 36 1HB HIS 36 -4.950 -8.144 0.176
296 HD2 HIS 36 2HD HIS 36 -4.485 -5.365 1.857
297 HE1 HIS 36 1HE HIS 36 -2.130 -4.324 -1.502
298 HE2 HIS 36 2HE HIS 36 -3.501 -3.430 0.435
299 H LEU 37 H LEU 37 -5.319 -8.120 4.127
300 HA LEU 37 HA LEU 37 -6.770 -10.564 3.885
301 1HB LEU 37 2HB LEU 37 -8.205 -9.362 5.747
302 2HB LEU 37 1HB LEU 37 -6.639 -10.058 6.093
303 HG LEU 37 HG LEU 37 -7.145 -7.780 7.095
304 1HD1 LEU 37 1HD1 LEU 37 -4.716 -7.176 5.719
305 2HD1 LEU 37 2HD1 LEU 37 -4.771 -8.897 6.105
306 3HD1 LEU 37 3HD1 LEU 37 -4.959 -7.698 7.387
307 1HD2 LEU 37 1HD2 LEU 37 -6.259 -6.476 4.611
308 2HD2 LEU 37 2HD2 LEU 37 -7.385 -5.924 5.850
309 3HD2 LEU 37 3HD2 LEU 37 -7.921 -7.065 4.617
310 H ASN 38 H ASN 38 -7.225 -7.368 2.738
311 HA ASN 38 HA ASN 38 -9.359 -8.044 1.061
312 1HB ASN 38 2HB ASN 38 -10.704 -8.121 3.095
313 2HB ASN 38 1HB ASN 38 -10.174 -6.502 3.538
314 1HD2 ASN 38 1HD2 ASN 38 -11.586 -8.151 0.725
315 2HD2 ASN 38 2HD2 ASN 38 -12.766 -6.934 0.391
316 H SER 39 H SER 39 -9.839 -4.964 2.514
317 HA SER 39 HA SER 39 -8.112 -3.702 0.493
318 1HB SER 39 2HB SER 39 -9.813 -2.048 0.029
319 2HB SER 39 1HB SER 39 -10.523 -3.650 -0.176
320 HG SER 39 HG SER 39 -11.979 -2.876 1.139
321 H TYR 40 H TYR 40 -6.665 -2.385 1.363
322 HA TYR 40 HA TYR 40 -7.257 -1.173 3.984
323 1HB TYR 40 2HB TYR 40 -5.329 -2.909 3.713
324 2HB TYR 40 1HB TYR 40 -4.464 -1.577 2.956
325 HD1 TYR 40 1HD TYR 40 -4.588 0.699 4.390
326 HD2 TYR 40 2HD TYR 40 -4.988 -3.233 5.967
327 HE1 TYR 40 1HE TYR 40 -3.916 1.526 6.607
328 HE2 TYR 40 2HE TYR 40 -4.321 -2.416 8.187
329 HH TYR 40 HH TYR 40 -2.982 0.692 8.678
330 H THR 41 H THR 41 -7.938 0.847 3.533
331 HA THR 41 HA THR 41 -6.287 2.471 1.708
332 HB THR 41 HB THR 41 -8.514 2.254 0.808
333 HG1 THR 41 1HG THR 41 -8.649 4.805 1.976
334 1HG2 THR 41 1HG2 THR 41 -10.131 1.786 2.300
335 2HG2 THR 41 2HG2 THR 41 -10.268 3.536 2.471
336 3HG2 THR 41 3HG2 THR 41 -9.290 2.612 3.611
337 H ILE 42 H ILE 42 -5.620 4.493 2.355
338 HA ILE 42 HA ILE 42 -5.624 4.958 5.218
339 HB ILE 42 HB ILE 42 -4.358 6.825 3.247
340 1HG1 ILE 42 2HG1 ILE 42 -2.927 4.373 4.243
341 2HG1 ILE 42 1HG1 ILE 42 -3.849 4.331 2.744
342 1HG2 ILE 42 1HG2 ILE 42 -2.602 6.649 5.197
343 2HG2 ILE 42 2HG2 ILE 42 -3.998 6.066 6.103
344 3HG2 ILE 42 3HG2 ILE 42 -4.037 7.662 5.355
345 1HD1 ILE 42 1HD1 ILE 42 -1.382 4.761 2.525
346 2HD1 ILE 42 2HD1 ILE 42 -1.678 6.337 3.259
347 3HD1 ILE 42 3HD1 ILE 42 -2.440 5.921 1.724
348 H LYS 43 H LYS 43 -6.962 6.319 6.237
349 HA LYS 43 HA LYS 43 -8.617 8.119 4.612
350 1HB LYS 43 2HB LYS 43 -9.865 8.278 6.921
351 2HB LYS 43 1HB LYS 43 -10.106 6.895 5.865
352 1HG LYS 43 2HG LYS 43 -8.232 5.785 7.217
353 2HG LYS 43 1HG LYS 43 -8.510 7.073 8.391
354 1HD LYS 43 2HD LYS 43 -10.622 6.317 8.922
355 2HD LYS 43 1HD LYS 43 -10.834 5.503 7.370
356 1HE LYS 43 2HE LYS 43 -9.016 3.905 8.123
357 2HE LYS 43 1HE LYS 43 -9.191 4.616 9.727
358 1HZ LYS 43 1HZ LYS 43 -11.582 4.010 9.606
359 2HZ LYS 43 2HZ LYS 43 -10.540 2.679 9.623
360 3HZ LYS 43 3HZ LYS 43 -11.262 3.167 8.174
361 H GLY 44 H GLY 44 -9.274 10.198 5.759
362 1HA GLY 44 2HA GLY 44 -8.738 12.159 6.867
363 2HA GLY 44 1HA GLY 44 -7.377 11.329 7.608
364 H LEU 45 H LEU 45 -5.777 12.784 7.245
365 HA LEU 45 HA LEU 45 -4.189 13.979 6.141
366 1HB LEU 45 2HB LEU 45 -4.728 12.433 3.643
367 2HB LEU 45 1HB LEU 45 -3.192 12.962 4.314
368 HG LEU 45 HG LEU 45 -4.603 11.014 5.997
369 1HD1 LEU 45 1HD1 LEU 45 -4.478 9.149 4.639
370 2HD1 LEU 45 2HD1 LEU 45 -3.382 9.929 3.496
371 3HD1 LEU 45 3HD1 LEU 45 -5.087 10.379 3.533
372 1HD2 LEU 45 1HD2 LEU 45 -2.222 11.907 6.192
373 2HD2 LEU 45 2HD2 LEU 45 -1.843 10.859 4.825
374 3HD2 LEU 45 3HD2 LEU 45 -2.442 10.162 6.330
375 H LYS 46 H LYS 46 -3.878 14.862 3.541
376 HA LYS 46 HA LYS 46 -6.378 16.088 2.732
377 1HB LYS 46 2HB LYS 46 -5.512 18.364 2.845
378 2HB LYS 46 1HB LYS 46 -5.516 17.619 4.438
379 1HG LYS 46 2HG LYS 46 -3.270 17.665 4.614
380 2HG LYS 46 1HG LYS 46 -3.023 17.341 2.897
381 1HD LYS 46 2HD LYS 46 -2.971 19.534 2.358
382 2HD LYS 46 1HD LYS 46 -4.219 19.956 3.533
383 1HE LYS 46 2HE LYS 46 -1.621 19.099 4.638
384 2HE LYS 46 1HE LYS 46 -1.630 20.645 3.790
385 1HZ LYS 46 1HZ LYS 46 -2.412 21.522 5.654
386 2HZ LYS 46 2HZ LYS 46 -2.642 20.005 6.368
387 3HZ LYS 46 3HZ LYS 46 -3.858 20.679 5.403
388 HA PRO 47 HA PRO 47 -4.448 15.760 -1.218
389 1HB PRO 47 2HB PRO 47 -6.285 16.968 -2.725
390 2HB PRO 47 1HB PRO 47 -6.645 15.459 -1.875
391 1HG PRO 47 2HG PRO 47 -7.410 18.258 -1.174
392 2HG PRO 47 1HG PRO 47 -8.350 16.764 -1.018
393 1HD PRO 47 2HD PRO 47 -6.945 18.019 1.037
394 2HD PRO 47 1HD PRO 47 -7.506 16.336 1.049
395 H GLY 48 H GLY 48 -3.259 17.817 0.307
396 1HA GLY 48 2HA GLY 48 -3.043 20.006 -1.668
397 2HA GLY 48 1HA GLY 48 -2.712 20.185 0.051
398 H VAL 49 H VAL 49 -1.428 17.423 -0.135
399 HA VAL 49 HA VAL 49 1.146 18.297 -1.277
400 HB VAL 49 HB VAL 49 1.733 18.253 0.926
401 1HG1 VAL 49 1HG1 VAL 49 -0.333 16.105 1.388
402 2HG1 VAL 49 2HG1 VAL 49 -0.478 17.816 1.786
403 3HG1 VAL 49 3HG1 VAL 49 0.693 16.810 2.636
404 1HG2 VAL 49 1HG2 VAL 49 1.972 15.354 1.079
405 2HG2 VAL 49 2HG2 VAL 49 3.226 16.595 1.075
406 3HG2 VAL 49 3HG2 VAL 49 2.559 16.012 -0.450
407 H VAL 50 H VAL 50 2.208 16.891 -2.603
408 HA VAL 50 HA VAL 50 0.758 14.593 -3.554
409 HB VAL 50 HB VAL 50 2.159 16.115 -5.022
410 1HG1 VAL 50 1HG1 VAL 50 4.485 14.467 -4.073
411 2HG1 VAL 50 2HG1 VAL 50 4.121 16.057 -3.404
412 3HG1 VAL 50 3HG1 VAL 50 4.497 15.888 -5.119
413 1HG2 VAL 50 1HG2 VAL 50 1.431 13.551 -5.344
414 2HG2 VAL 50 2HG2 VAL 50 3.180 13.383 -5.490
415 3HG2 VAL 50 3HG2 VAL 50 2.305 14.470 -6.568
416 H TYR 51 H TYR 51 1.406 12.414 -3.412
417 HA TYR 51 HA TYR 51 3.487 11.867 -1.401
418 1HB TYR 51 2HB TYR 51 0.662 11.340 -1.252
419 2HB TYR 51 1HB TYR 51 1.560 9.829 -1.200
420 HD1 TYR 51 1HD TYR 51 0.063 12.112 0.812
421 HD2 TYR 51 2HD TYR 51 3.832 10.186 0.377
422 HE1 TYR 51 1HE TYR 51 0.509 12.469 3.200
423 HE2 TYR 51 2HE TYR 51 4.295 10.540 2.765
424 HH TYR 51 HH TYR 51 3.400 11.140 4.745
425 H GLU 52 H GLU 52 4.618 9.958 -1.583
426 HA GLU 52 HA GLU 52 4.330 8.544 -4.149
427 1HB GLU 52 2HB GLU 52 6.525 8.850 -4.481
428 2HB GLU 52 1HB GLU 52 6.584 9.828 -3.025
429 1HG GLU 52 2HG GLU 52 8.161 8.322 -2.463
430 2HG GLU 52 1HG GLU 52 6.756 7.418 -1.902
431 H GLY 53 H GLY 53 3.873 6.411 -4.056
432 1HA GLY 53 2HA GLY 53 3.932 5.166 -1.381
433 2HA GLY 53 1HA GLY 53 2.744 4.793 -2.614
434 H GLN 54 H GLN 54 4.883 3.278 -1.034
435 HA GLN 54 HA GLN 54 5.859 1.726 -3.331
436 1HB GLN 54 2HB GLN 54 7.455 2.741 -0.994
437 2HB GLN 54 1HB GLN 54 7.937 1.278 -1.842
438 1HG GLN 54 2HG GLN 54 7.386 3.448 -3.674
439 2HG GLN 54 1HG GLN 54 8.621 3.877 -2.491
440 1HE2 GLN 54 1HE2 GLN 54 7.837 0.796 -4.051
441 2HE2 GLN 54 2HE2 GLN 54 9.400 0.552 -4.748
442 H LEU 55 H LEU 55 5.239 -0.341 -3.185
443 HA LEU 55 HA LEU 55 4.475 -1.365 -0.536
444 1HB LEU 55 2HB LEU 55 3.268 -1.550 -3.168
445 2HB LEU 55 1HB LEU 55 3.497 -3.133 -2.452
446 HG LEU 55 HG LEU 55 1.965 -0.836 -1.227
447 1HD1 LEU 55 1HD1 LEU 55 0.214 -2.864 -1.453
448 2HD1 LEU 55 2HD1 LEU 55 1.223 -3.169 -2.866
449 3HD1 LEU 55 3HD1 LEU 55 0.422 -1.610 -2.675
450 1HD2 LEU 55 1HD2 LEU 55 1.779 -1.976 0.708
451 2HD2 LEU 55 2HD2 LEU 55 3.297 -2.709 0.185
452 3HD2 LEU 55 3HD2 LEU 55 1.770 -3.548 -0.093
453 H ILE 56 H ILE 56 6.062 -2.516 0.338
454 HA ILE 56 HA ILE 56 7.621 -4.323 -1.392
455 HB ILE 56 HB ILE 56 8.395 -3.262 1.321
456 1HG1 ILE 56 2HG1 ILE 56 8.302 -1.779 -0.960
457 2HG1 ILE 56 1HG1 ILE 56 9.406 -1.486 0.372
458 1HG2 ILE 56 1HG2 ILE 56 10.683 -4.008 0.332
459 2HG2 ILE 56 2HG2 ILE 56 9.678 -5.066 -0.659
460 3HG2 ILE 56 3HG2 ILE 56 9.617 -5.183 1.102
461 1HD1 ILE 56 1HD1 ILE 56 11.178 -2.571 -0.769
462 2HD1 ILE 56 2HD1 ILE 56 10.426 -1.451 -1.905
463 3HD1 ILE 56 3HD1 ILE 56 10.085 -3.179 -2.013
464 H SER 57 H SER 57 7.144 -6.391 -1.195
465 HA SER 57 HA SER 57 5.851 -7.396 1.221
466 1HB SER 57 2HB SER 57 5.276 -7.810 -1.417
467 2HB SER 57 1HB SER 57 6.257 -9.226 -1.047
468 HG SER 57 HG SER 57 3.998 -9.533 -0.640
469 H ILE 58 H ILE 58 6.838 -8.796 2.572
470 HA ILE 58 HA ILE 58 9.538 -9.692 1.823
471 HB ILE 58 HB ILE 58 8.459 -9.141 4.585
472 1HG1 ILE 58 2HG1 ILE 58 10.260 -7.645 2.696
473 2HG1 ILE 58 1HG1 ILE 58 8.853 -7.058 3.571
474 1HG2 ILE 58 1HG2 ILE 58 10.644 -9.658 5.409
475 2HG2 ILE 58 2HG2 ILE 58 11.262 -9.883 3.773
476 3HG2 ILE 58 3HG2 ILE 58 10.092 -11.023 4.437
477 1HD1 ILE 58 1HD1 ILE 58 10.638 -6.067 4.666
478 2HD1 ILE 58 2HD1 ILE 58 11.625 -7.526 4.584
479 3HD1 ILE 58 3HD1 ILE 58 10.250 -7.452 5.686
480 H GLN 59 H GLN 59 9.923 -11.771 1.695
481 HA GLN 59 HA GLN 59 7.856 -13.660 2.504
482 1HB GLN 59 2HB GLN 59 9.878 -13.506 0.418
483 2HB GLN 59 1HB GLN 59 9.880 -15.066 1.230
484 1HG GLN 59 2HG GLN 59 7.475 -13.760 -0.015
485 2HG GLN 59 1HG GLN 59 8.444 -15.033 -0.756
486 1HE2 GLN 59 1HE2 GLN 59 8.524 -17.098 0.339
487 2HE2 GLN 59 2HE2 GLN 59 7.162 -17.621 1.264
488 H GLN 60 H GLN 60 9.073 -15.940 3.017
489 HA GLN 60 HA GLN 60 10.147 -15.579 5.622
490 1HB GLN 60 2HB GLN 60 10.750 -18.187 4.978
491 2HB GLN 60 1HB GLN 60 9.255 -17.633 5.715
492 1HG GLN 60 2HG GLN 60 8.437 -17.301 3.301
493 2HG GLN 60 1HG GLN 60 9.799 -18.327 2.857
494 1HE2 GLN 60 1HE2 GLN 60 7.769 -18.524 5.728
495 2HE2 GLN 60 2HE2 GLN 60 7.123 -20.090 5.388
496 H TYR 61 H TYR 61 11.560 -16.119 2.467
497 HA TYR 61 HA TYR 61 14.230 -16.332 3.663
498 1HB TYR 61 2HB TYR 61 14.131 -16.487 0.754
499 2HB TYR 61 1HB TYR 61 14.813 -17.620 1.915
500 HD1 TYR 61 1HD TYR 61 12.181 -17.023 -0.409
501 HD2 TYR 61 2HD TYR 61 13.169 -19.208 3.107
502 HE1 TYR 61 1HE TYR 61 10.345 -18.591 -0.874
503 HE2 TYR 61 2HE TYR 61 11.335 -20.780 2.651
504 HH TYR 61 HH TYR 61 9.589 -21.248 1.354
505 H GLY 62 H GLY 62 12.408 -13.876 3.193
506 1HA GLY 62 2HA GLY 62 13.528 -11.685 3.245
507 2HA GLY 62 1HA GLY 62 14.496 -12.240 1.887
508 H HIS 63 H HIS 63 13.039 -9.846 1.849
509 HA HIS 63 HA HIS 63 10.498 -10.045 0.688
510 1HB HIS 63 2HB HIS 63 11.017 -7.745 -0.229
511 2HB HIS 63 1HB HIS 63 11.162 -7.927 1.515
512 HD2 HIS 63 2HD HIS 63 12.949 -5.755 1.524
513 HE1 HIS 63 1HE HIS 63 16.048 -7.917 -0.383
514 HE2 HIS 63 2HE HIS 63 15.420 -5.730 0.736
515 H GLN 64 H GLN 64 9.938 -9.433 -1.579
516 HA GLN 64 HA GLN 64 11.849 -9.867 -3.656
517 1HB GLN 64 2HB GLN 64 10.312 -11.927 -4.441
518 2HB GLN 64 1HB GLN 64 11.786 -12.128 -3.505
519 1HG GLN 64 2HG GLN 64 10.251 -11.960 -1.447
520 2HG GLN 64 1HG GLN 64 8.946 -12.277 -2.586
521 1HE2 GLN 64 1HE2 GLN 64 11.715 -13.573 -0.989
522 2HE2 GLN 64 2HE2 GLN 64 11.445 -15.217 -1.429
523 H GLU 65 H GLU 65 9.164 -8.451 -2.584
524 HA GLU 65 HA GLU 65 8.161 -8.030 -5.310
525 1HB GLU 65 2HB GLU 65 6.770 -9.497 -3.410
526 2HB GLU 65 1HB GLU 65 6.039 -7.901 -3.321
527 1HG GLU 65 2HG GLU 65 4.743 -8.688 -4.970
528 2HG GLU 65 1HG GLU 65 6.107 -8.234 -5.989
529 H VAL 66 H VAL 66 8.393 -5.950 -5.774
530 HA VAL 66 HA VAL 66 7.636 -3.978 -3.740
531 HB VAL 66 HB VAL 66 9.946 -3.860 -3.510
532 1HG1 VAL 66 1HG1 VAL 66 11.551 -3.999 -5.283
533 2HG1 VAL 66 2HG1 VAL 66 10.275 -3.962 -6.499
534 3HG1 VAL 66 3HG1 VAL 66 10.426 -5.352 -5.422
535 1HG2 VAL 66 1HG2 VAL 66 9.008 -1.803 -5.486
536 2HG2 VAL 66 2HG2 VAL 66 10.638 -1.766 -4.814
537 3HG2 VAL 66 3HG2 VAL 66 9.240 -1.643 -3.743
538 H THR 67 H THR 67 6.554 -2.212 -4.501
539 HA THR 67 HA THR 67 6.356 -1.853 -7.408
540 HB THR 67 HB THR 67 3.904 -1.712 -5.662
541 HG1 THR 67 1HG THR 67 4.359 -3.907 -7.354
542 1HG2 THR 67 1HG2 THR 67 2.763 -1.298 -7.564
543 2HG2 THR 67 2HG2 THR 67 3.742 -2.414 -8.516
544 3HG2 THR 67 3HG2 THR 67 4.335 -0.788 -8.178
545 H ARG 68 H ARG 68 6.291 0.229 -8.068
546 HA ARG 68 HA ARG 68 6.199 2.287 -5.963
547 1HB ARG 68 2HB ARG 68 7.402 2.757 -8.668
548 2HB ARG 68 1HB ARG 68 7.736 3.577 -7.152
549 1HG ARG 68 2HG ARG 68 9.057 1.819 -6.355
550 2HG ARG 68 1HG ARG 68 8.438 0.693 -7.565
551 1HD ARG 68 2HD ARG 68 9.674 3.034 -8.758
552 2HD ARG 68 1HD ARG 68 10.786 2.149 -7.715
553 HE ARG 68 HE ARG 68 9.953 0.140 -9.112
554 1HH1 ARG 68 1HH1 ARG 68 10.455 3.381 -10.293
555 2HH1 ARG 68 2HH1 ARG 68 10.821 2.873 -11.907
556 1HH2 ARG 68 1HH2 ARG 68 10.434 -0.535 -11.233
557 2HH2 ARG 68 2HH2 ARG 68 10.808 0.646 -12.443
558 H PHE 69 H PHE 69 4.659 3.771 -6.031
559 HA PHE 69 HA PHE 69 3.371 4.552 -8.491
560 1HB PHE 69 2HB PHE 69 1.069 4.040 -7.517
561 2HB PHE 69 1HB PHE 69 1.993 2.669 -8.119
562 HD1 PHE 69 1HD PHE 69 3.098 1.131 -6.518
563 HD2 PHE 69 2HD PHE 69 0.450 4.208 -5.238
564 HE1 PHE 69 1HE PHE 69 2.842 0.003 -4.346
565 HE2 PHE 69 2HE PHE 69 0.192 3.087 -3.063
566 HZ PHE 69 HZ PHE 69 1.390 0.982 -2.615
567 H ASP 70 H ASP 70 2.897 6.653 -8.396
568 HA ASP 70 HA ASP 70 3.009 7.970 -5.788
569 1HB ASP 70 2HB ASP 70 2.878 10.061 -7.383
570 2HB ASP 70 1HB ASP 70 4.385 9.168 -7.212
571 H PHE 71 H PHE 71 1.285 8.875 -4.831
572 HA PHE 71 HA PHE 71 -1.174 9.187 -6.395
573 1HB PHE 71 2HB PHE 71 -2.509 8.104 -4.690
574 2HB PHE 71 1HB PHE 71 -1.246 7.003 -5.236
575 HD1 PHE 71 1HD PHE 71 -2.784 8.540 -2.430
576 HD2 PHE 71 2HD PHE 71 0.878 6.859 -3.799
577 HE1 PHE 71 1HE PHE 71 -2.069 8.210 -0.099
578 HE2 PHE 71 2HE PHE 71 1.599 6.525 -1.471
579 HZ PHE 71 HZ PHE 71 0.125 7.199 0.383
580 H THR 72 H THR 72 -2.657 10.704 -5.597
581 HA THR 72 HA THR 72 -1.460 12.652 -3.749
582 HB THR 72 HB THR 72 -3.092 14.274 -4.824
583 HG1 THR 72 1HG THR 72 -3.756 11.975 -6.132
584 1HG2 THR 72 1HG2 THR 72 -1.045 13.043 -6.672
585 2HG2 THR 72 2HG2 THR 72 -0.662 14.152 -5.355
586 3HG2 THR 72 3HG2 THR 72 -1.650 14.698 -6.711
587 H THR 73 H THR 73 -3.079 14.033 -2.604
588 HA THR 73 HA THR 73 -4.953 14.390 -1.340
589 HB THR 73 HB THR 73 -5.877 11.625 -2.129
590 HG1 THR 73 1HG THR 73 -7.076 12.648 -3.649
591 1HG2 THR 73 1HG2 THR 73 -6.640 12.782 0.100
592 2HG2 THR 73 2HG2 THR 73 -7.827 12.000 -0.951
593 3HG2 THR 73 3HG2 THR 73 -7.637 13.754 -0.987
594 H THR 74 H THR 74 -2.929 14.167 0.046
595 HA THR 74 HA THR 74 -3.594 13.038 2.460
596 HB THR 74 HB THR 74 -3.357 10.831 1.911
597 HG1 THR 74 1HG THR 74 -1.583 11.690 3.441
598 1HG2 THR 74 1HG2 THR 74 -1.675 11.873 -0.225
599 2HG2 THR 74 2HG2 THR 74 -2.729 10.460 -0.199
600 3HG2 THR 74 3HG2 THR 74 -1.088 10.346 0.440
601 H SER 75 H SER 75 -2.116 13.491 4.096
602 HA SER 75 HA SER 75 0.327 14.901 3.257
603 1HB SER 75 2HB SER 75 -1.555 16.401 4.051
604 2HB SER 75 1HB SER 75 -1.371 15.657 5.640
605 HG SER 75 HG SER 75 0.626 16.536 5.830
606 H THR 76 H THR 76 1.700 15.313 5.398
607 HA THR 76 HA THR 76 2.466 12.701 6.295
608 HB THR 76 HB THR 76 4.360 13.962 6.104
609 HG1 THR 76 1HG THR 76 4.411 14.992 8.547
610 1HG2 THR 76 1HG2 THR 76 3.268 16.065 5.550
611 2HG2 THR 76 2HG2 THR 76 4.551 16.339 6.729
612 3HG2 THR 76 3HG2 THR 76 2.865 16.325 7.248
613 H SER 77 H SER 77 1.698 15.631 8.192
614 HA SER 77 HA SER 77 0.047 14.042 9.980
615 1HB SER 77 2HB SER 77 1.262 14.645 11.989
616 2HB SER 77 1HB SER 77 2.367 13.843 10.873
617 HG SER 77 HG SER 77 2.359 16.440 11.795
618 H THR 78 H THR 78 -1.618 15.172 10.775
619 HA THR 78 HA THR 78 -1.478 18.097 10.829
620 HB THR 78 HB THR 78 -3.859 18.131 9.898
621 HG1 THR 78 1HG THR 78 -3.218 15.461 9.639
622 1HG2 THR 78 1HG2 THR 78 -3.064 18.063 7.551
623 2HG2 THR 78 2HG2 THR 78 -1.554 17.345 8.112
624 3HG2 THR 78 3HG2 THR 78 -1.994 18.978 8.612
625 HA PRO 79 HA PRO 79 -3.215 16.076 14.722
626 1HB PRO 79 2HB PRO 79 -1.770 18.464 15.769
627 2HB PRO 79 1HB PRO 79 -1.833 16.818 16.408
628 1HG PRO 79 2HG PRO 79 0.336 17.675 15.142
629 2HG PRO 79 1HG PRO 79 -0.267 16.027 14.881
630 1HD PRO 79 2HD PRO 79 -0.512 18.437 13.126
631 2HD PRO 79 1HD PRO 79 -0.228 16.741 12.681
632 H GLY 80 H GLY 80 -2.764 19.553 15.128
633 1HA GLY 80 2HA GLY 80 -4.866 20.858 14.282
634 2HA GLY 80 1HA GLY 80 -5.666 19.821 15.454
635 H SER 81 H SER 81 -6.337 21.617 16.675
636 HA SER 81 HA SER 81 -4.174 23.043 18.073
637 1HB SER 81 2HB SER 81 -6.665 23.949 16.901
638 2HB SER 81 1HB SER 81 -6.572 24.382 18.607
639 HG SER 81 HG SER 81 -5.585 25.841 16.920
640 H ARG 82 H ARG 82 -7.577 22.208 18.757
641 HA ARG 82 HA ARG 82 -6.784 20.758 21.137
642 1HB ARG 82 2HB ARG 82 -7.916 23.476 21.217
643 2HB ARG 82 1HB ARG 82 -8.718 22.313 22.263
644 1HG ARG 82 2HG ARG 82 -6.866 22.015 23.585
645 2HG ARG 82 1HG ARG 82 -5.746 22.499 22.311
646 1HD ARG 82 2HD ARG 82 -5.645 24.457 23.383
647 2HD ARG 82 1HD ARG 82 -7.233 24.768 22.684
648 HE ARG 82 HE ARG 82 -8.021 23.615 24.867
649 1HH1 ARG 82 1HH1 ARG 82 -5.296 25.761 24.525
650 2HH1 ARG 82 2HH1 ARG 82 -5.377 26.332 26.159
651 1HH2 ARG 82 1HH2 ARG 82 -8.136 24.364 27.018
652 2HH2 ARG 82 2HH2 ARG 82 -6.990 25.538 27.575
653 H SER 83 H SER 83 -7.859 18.925 20.818
654 HA SER 83 HA SER 83 -10.479 18.935 19.565
655 1HB SER 83 2HB SER 83 -9.625 16.340 20.522
656 2HB SER 83 1HB SER 83 -9.914 16.879 18.868
657 HG SER 83 HG SER 83 -7.838 17.299 18.623
658 H HIS 84 H HIS 84 -9.201 17.243 22.431
659 HA HIS 84 HA HIS 84 -11.702 17.913 23.831
660 1HB HIS 84 2HB HIS 84 -10.369 15.367 24.553
661 2HB HIS 84 1HB HIS 84 -12.084 15.758 24.467
662 HD2 HIS 84 2HD HIS 84 -13.151 15.700 21.793
663 HE1 HIS 84 1HE HIS 84 -10.049 13.164 20.431
664 HE2 HIS 84 2HE HIS 84 -12.423 13.953 20.019
665 H HIS 85 H HIS 85 -11.255 19.198 25.480
666 HA HIS 85 HA HIS 85 -9.204 18.487 27.382
667 1HB HIS 85 2HB HIS 85 -8.696 20.468 25.351
668 2HB HIS 85 1HB HIS 85 -8.688 21.222 26.942
669 HD2 HIS 85 2HD HIS 85 -5.859 21.461 26.220
670 HE1 HIS 85 1HE HIS 85 -5.131 17.474 27.445
671 HE2 HIS 85 2HE HIS 85 -4.084 19.744 27.017
672 H HIS 86 H HIS 86 -9.109 21.112 28.579
673 HA HIS 86 HA HIS 86 -11.592 20.994 30.036
674 1HB HIS 86 2HB HIS 86 -8.988 22.404 30.344
675 2HB HIS 86 1HB HIS 86 -10.393 23.116 31.129
676 HD2 HIS 86 2HD HIS 86 -11.697 21.306 32.985
677 HE1 HIS 86 1HE HIS 86 -8.121 19.115 33.560
678 HE2 HIS 86 2HE HIS 86 -10.384 19.700 34.543
679 H HIS 87 H HIS 87 -11.164 22.116 27.138
680 HA HIS 87 HA HIS 87 -12.074 23.726 25.816
681 1HB HIS 87 2HB HIS 87 -14.049 22.887 27.555
682 2HB HIS 87 1HB HIS 87 -14.101 24.639 27.719
683 HD2 HIS 87 2HD HIS 87 -15.024 21.865 25.211
684 HE1 HIS 87 1HE HIS 87 -15.997 25.606 23.490
685 HE2 HIS 87 2HE HIS 87 -16.058 23.091 23.172
686 H HIS 88 H HIS 88 -10.100 24.964 26.187
687 HA HIS 88 HA HIS 88 -8.961 26.882 26.622
688 1HB HIS 88 2HB HIS 88 -11.290 27.663 25.586
689 2HB HIS 88 1HB HIS 88 -11.471 28.385 27.182
690 HD2 HIS 88 2HD HIS 88 -10.609 29.726 24.022
691 HE1 HIS 88 1HE HIS 88 -7.597 31.327 26.527
692 HE2 HIS 88 2HE HIS 88 -8.872 31.623 24.355
693 H HIS 89 H HIS 89 -8.349 25.722 28.646
694 HA HIS 89 HA HIS 89 -9.608 26.447 31.108
695 1HB HIS 89 2HB HIS 89 -8.274 24.339 30.706
696 2HB HIS 89 1HB HIS 89 -6.822 25.333 30.743
697 HD2 HIS 89 2HD HIS 89 -5.772 25.692 33.187
698 HE1 HIS 89 1HE HIS 89 -9.154 24.439 35.404
699 HE2 HIS 89 2HE HIS 89 -6.790 25.347 35.548
Start of MODEL 5
1 1H MET 1 1HT MET 1 -5.471 -21.438 -18.566
2 2H MET 1 2HT MET 1 -6.064 -22.695 -19.530
3 3H MET 1 3HT MET 1 -4.428 -22.660 -19.099
4 HA MET 1 HA MET 1 -6.730 -23.075 -17.280
5 1HB MET 1 2HB MET 1 -5.799 -24.906 -18.899
6 2HB MET 1 1HB MET 1 -4.460 -24.977 -17.762
7 1HG MET 1 2HG MET 1 -5.712 -26.524 -16.746
8 2HG MET 1 1HG MET 1 -6.558 -25.134 -16.069
9 1HE MET 1 1HE MET 1 -8.359 -24.052 -16.904
10 2HE MET 1 2HE MET 1 -9.745 -25.138 -16.814
11 3HE MET 1 3HE MET 1 -9.287 -24.418 -18.358
12 H ARG 2 H ARG 2 -5.037 -20.904 -16.837
13 HA ARG 2 HA ARG 2 -3.248 -21.855 -14.703
14 1HB ARG 2 2HB ARG 2 -3.190 -19.481 -16.510
15 2HB ARG 2 1HB ARG 2 -2.490 -19.324 -14.905
16 1HG ARG 2 2HG ARG 2 -1.133 -21.393 -15.447
17 2HG ARG 2 1HG ARG 2 -1.671 -21.183 -17.115
18 1HD ARG 2 2HD ARG 2 0.563 -20.176 -16.582
19 2HD ARG 2 1HD ARG 2 -0.613 -19.061 -17.276
20 HE ARG 2 HE ARG 2 -0.600 -19.040 -14.410
21 1HH1 ARG 2 1HH1 ARG 2 0.945 -17.781 -17.268
22 2HH1 ARG 2 2HH1 ARG 2 1.518 -16.347 -16.483
23 1HH2 ARG 2 1HH2 ARG 2 0.151 -17.156 -13.367
24 2HH2 ARG 2 2HH2 ARG 2 1.067 -15.991 -14.265
25 H GLY 3 H GLY 3 -5.247 -22.141 -13.412
26 1HA GLY 3 2HA GLY 3 -6.363 -19.610 -12.416
27 2HA GLY 3 1HA GLY 3 -7.085 -21.199 -12.206
28 H SER 4 H SER 4 -6.418 -22.516 -10.527
29 HA SER 4 HA SER 4 -5.122 -21.122 -8.340
30 1HB SER 4 2HB SER 4 -6.407 -23.858 -8.493
31 2HB SER 4 1HB SER 4 -5.755 -23.140 -7.021
32 HG SER 4 HG SER 4 -8.163 -22.868 -7.887
33 H ASN 5 H ASN 5 -4.698 -24.282 -9.937
34 HA ASN 5 HA ASN 5 -2.877 -25.600 -10.267
35 1HB ASN 5 2HB ASN 5 -1.495 -22.920 -10.071
36 2HB ASN 5 1HB ASN 5 -0.650 -24.411 -10.475
37 1HD2 ASN 5 1HD2 ASN 5 -0.655 -25.089 -12.516
38 2HD2 ASN 5 2HD2 ASN 5 -1.577 -24.386 -13.797
39 H ALA 6 H ALA 6 -3.755 -24.582 -7.449
40 HA ALA 6 HA ALA 6 -2.044 -26.292 -5.974
41 1HB ALA 6 1HB ALA 6 -0.861 -23.878 -6.380
42 2HB ALA 6 2HB ALA 6 -0.537 -24.936 -5.007
43 3HB ALA 6 3HB ALA 6 -1.687 -23.609 -4.845
44 HA PRO 7 HA PRO 7 -5.738 -25.995 -3.519
45 1HB PRO 7 2HB PRO 7 -5.067 -27.689 -1.540
46 2HB PRO 7 1HB PRO 7 -5.424 -28.255 -3.177
47 1HG PRO 7 2HG PRO 7 -2.780 -27.846 -1.846
48 2HG PRO 7 1HG PRO 7 -3.305 -29.154 -2.923
49 1HD PRO 7 2HD PRO 7 -1.783 -27.005 -3.722
50 2HD PRO 7 1HD PRO 7 -2.819 -27.954 -4.806
51 H GLN 8 H GLN 8 -6.456 -24.681 -1.954
52 HA GLN 8 HA GLN 8 -6.516 -23.201 -0.240
53 1HB GLN 8 2HB GLN 8 -3.994 -24.519 0.770
54 2HB GLN 8 1HB GLN 8 -5.155 -23.585 1.704
55 1HG GLN 8 2HG GLN 8 -5.565 -26.292 0.462
56 2HG GLN 8 1HG GLN 8 -5.487 -25.896 2.179
57 1HE2 GLN 8 1HE2 GLN 8 -7.584 -27.132 0.406
58 2HE2 GLN 8 2HE2 GLN 8 -9.019 -26.230 0.744
59 HA PRO 9 HA PRO 9 -3.893 -19.939 -1.688
60 1HB PRO 9 2HB PRO 9 -4.641 -17.984 0.014
61 2HB PRO 9 1HB PRO 9 -5.702 -18.570 -1.274
62 1HG PRO 9 2HG PRO 9 -5.703 -19.259 1.640
63 2HG PRO 9 1HG PRO 9 -7.075 -18.907 0.573
64 1HD PRO 9 2HD PRO 9 -6.327 -21.436 1.250
65 2HD PRO 9 1HD PRO 9 -7.107 -21.036 -0.294
66 H SER 10 H SER 10 -1.989 -18.877 -1.178
67 HA SER 10 HA SER 10 -0.884 -19.360 1.506
68 1HB SER 10 2HB SER 10 0.864 -19.435 -0.937
69 2HB SER 10 1HB SER 10 1.162 -20.119 0.661
70 HG SER 10 HG SER 10 0.365 -21.897 -0.095
71 H HIS 11 H HIS 11 -1.616 -17.158 1.883
72 HA HIS 11 HA HIS 11 -0.714 -14.936 0.425
73 1HB HIS 11 2HB HIS 11 -1.547 -15.200 3.320
74 2HB HIS 11 1HB HIS 11 -1.225 -13.658 2.536
75 HD2 HIS 11 2HD HIS 11 -3.651 -16.700 1.830
76 HE1 HIS 11 1HE HIS 11 -5.545 -13.042 0.862
77 HE2 HIS 11 2HE HIS 11 -5.759 -15.567 0.827
78 H ILE 12 H ILE 12 0.888 -13.353 1.002
79 HA ILE 12 HA ILE 12 3.415 -14.493 1.581
80 HB ILE 12 HB ILE 12 3.348 -12.597 0.130
81 1HG1 ILE 12 2HG1 ILE 12 4.542 -11.010 2.220
82 2HG1 ILE 12 1HG1 ILE 12 4.988 -12.702 2.424
83 1HG2 ILE 12 1HG2 ILE 12 1.793 -11.356 2.340
84 2HG2 ILE 12 2HG2 ILE 12 1.495 -11.344 0.602
85 3HG2 ILE 12 3HG2 ILE 12 2.753 -10.316 1.288
86 1HD1 ILE 12 1HD1 ILE 12 6.583 -11.384 1.063
87 2HD1 ILE 12 2HD1 ILE 12 5.313 -11.173 -0.143
88 3HD1 ILE 12 3HD1 ILE 12 5.919 -12.787 0.227
89 H SER 13 H SER 13 4.806 -14.126 3.347
90 HA SER 13 HA SER 13 3.769 -14.434 5.872
91 1HB SER 13 2HB SER 13 6.197 -14.717 5.048
92 2HB SER 13 1HB SER 13 6.382 -13.004 5.423
93 HG SER 13 HG SER 13 5.585 -13.585 7.573
94 H LYS 14 H LYS 14 4.897 -11.405 4.371
95 HA LYS 14 HA LYS 14 2.916 -9.860 5.688
96 1HB LYS 14 2HB LYS 14 4.562 -8.457 7.021
97 2HB LYS 14 1HB LYS 14 4.191 -10.049 7.670
98 1HG LYS 14 2HG LYS 14 6.271 -10.921 7.015
99 2HG LYS 14 1HG LYS 14 6.598 -9.554 5.950
100 1HD LYS 14 2HD LYS 14 6.136 -8.774 8.724
101 2HD LYS 14 1HD LYS 14 7.524 -9.846 8.521
102 1HE LYS 14 2HE LYS 14 8.552 -8.360 6.979
103 2HE LYS 14 1HE LYS 14 7.089 -7.385 6.845
104 1HZ LYS 14 1HZ LYS 14 8.230 -6.116 8.307
105 2HZ LYS 14 2HZ LYS 14 9.120 -7.409 8.937
106 3HZ LYS 14 3HZ LYS 14 7.522 -7.163 9.431
107 H TYR 15 H TYR 15 2.741 -7.819 4.865
108 HA TYR 15 HA TYR 15 4.523 -7.156 2.621
109 1HB TYR 15 2HB TYR 15 1.719 -7.247 2.852
110 2HB TYR 15 1HB TYR 15 2.125 -5.538 2.814
111 HD1 TYR 15 1HD TYR 15 4.133 -5.128 0.926
112 HD2 TYR 15 2HD TYR 15 1.070 -8.078 0.823
113 HE1 TYR 15 1HE TYR 15 4.320 -5.229 -1.524
114 HE2 TYR 15 2HE TYR 15 1.250 -8.191 -1.626
115 HH TYR 15 HH TYR 15 3.424 -7.541 -3.343
116 H ILE 16 H ILE 16 5.592 -5.169 2.578
117 HA ILE 16 HA ILE 16 5.207 -3.484 4.968
118 HB ILE 16 HB ILE 16 7.717 -3.943 3.353
119 1HG1 ILE 16 2HG1 ILE 16 7.133 -5.634 5.096
120 2HG1 ILE 16 1HG1 ILE 16 8.642 -4.789 5.422
121 1HG2 ILE 16 1HG2 ILE 16 7.704 -1.614 3.800
122 2HG2 ILE 16 2HG2 ILE 16 8.753 -2.339 5.019
123 3HG2 ILE 16 3HG2 ILE 16 7.110 -1.857 5.444
124 1HD1 ILE 16 1HD1 ILE 16 6.032 -3.978 6.663
125 2HD1 ILE 16 2HD1 ILE 16 7.664 -3.511 7.141
126 3HD1 ILE 16 3HD1 ILE 16 7.112 -5.169 7.387
127 H LEU 17 H LEU 17 4.256 -1.622 4.557
128 HA LEU 17 HA LEU 17 4.493 -0.495 1.855
129 1HB LEU 17 2HB LEU 17 2.207 -0.892 2.504
130 2HB LEU 17 1HB LEU 17 2.446 -0.070 4.033
131 HG LEU 17 HG LEU 17 2.841 2.049 2.724
132 1HD1 LEU 17 1HD1 LEU 17 2.901 2.060 0.507
133 2HD1 LEU 17 2HD1 LEU 17 1.374 1.183 0.403
134 3HD1 LEU 17 3HD1 LEU 17 2.892 0.298 0.559
135 1HD2 LEU 17 1HD2 LEU 17 0.364 2.252 2.102
136 2HD2 LEU 17 2HD2 LEU 17 0.763 1.886 3.780
137 3HD2 LEU 17 3HD2 LEU 17 0.215 0.600 2.704
138 H ARG 18 H ARG 18 5.988 1.008 1.679
139 HA ARG 18 HA ARG 18 6.406 2.851 3.929
140 1HB ARG 18 2HB ARG 18 8.525 2.309 1.880
141 2HB ARG 18 1HB ARG 18 8.703 2.918 3.521
142 1HG ARG 18 2HG ARG 18 9.224 0.871 4.168
143 2HG ARG 18 1HG ARG 18 7.581 0.362 3.768
144 1HD ARG 18 2HD ARG 18 9.349 -1.001 2.675
145 2HD ARG 18 1HD ARG 18 8.241 -0.228 1.542
146 HE ARG 18 HE ARG 18 9.970 1.330 0.991
147 1HH1 ARG 18 1HH1 ARG 18 10.987 -1.328 3.005
148 2HH1 ARG 18 2HH1 ARG 18 12.665 -1.144 2.618
149 1HH2 ARG 18 1HH2 ARG 18 12.174 1.573 0.475
150 2HH2 ARG 18 2HH2 ARG 18 13.340 0.504 1.180
151 H TRP 19 H TRP 19 6.056 4.955 3.518
152 HA TRP 19 HA TRP 19 6.390 5.946 0.817
153 1HB TRP 19 2HB TRP 19 4.155 6.794 0.556
154 2HB TRP 19 1HB TRP 19 4.077 5.066 0.859
155 HD1 TRP 19 HD TRP 19 2.661 8.260 1.964
156 HE1 TRP 19 1HE TRP 19 1.238 7.959 4.086
157 HE3 TRP 19 3HE TRP 19 4.138 3.547 3.266
158 HZ2 TRP 19 2HZ TRP 19 0.797 5.985 6.051
159 HZ3 TRP 19 3HZ TRP 19 3.167 2.523 5.281
160 HH2 TRP 19 HH TRP 19 1.532 3.717 6.644
161 H ARG 20 H ARG 20 6.098 8.257 0.642
162 HA ARG 20 HA ARG 20 6.047 9.866 3.022
163 1HB ARG 20 2HB ARG 20 8.243 10.307 3.316
164 2HB ARG 20 1HB ARG 20 8.501 8.810 2.434
165 1HG ARG 20 2HG ARG 20 8.307 11.438 1.007
166 2HG ARG 20 1HG ARG 20 9.820 10.889 1.728
167 1HD ARG 20 2HD ARG 20 8.978 8.677 0.342
168 2HD ARG 20 1HD ARG 20 8.463 10.001 -0.702
169 HE ARG 20 HE ARG 20 11.202 9.280 -0.012
170 1HH1 ARG 20 1HH1 ARG 20 9.018 11.489 -1.588
171 2HH1 ARG 20 2HH1 ARG 20 10.249 12.206 -2.573
172 1HH2 ARG 20 1HH2 ARG 20 12.830 10.221 -1.303
173 2HH2 ARG 20 2HH2 ARG 20 12.415 11.485 -2.411
174 HA PRO 21 HA PRO 21 4.569 12.954 0.258
175 1HB PRO 21 2HB PRO 21 6.588 14.884 1.271
176 2HB PRO 21 1HB PRO 21 4.828 15.016 1.225
177 1HG PRO 21 2HG PRO 21 6.092 14.550 3.524
178 2HG PRO 21 1HG PRO 21 4.548 13.762 3.156
179 1HD PRO 21 2HD PRO 21 7.322 12.653 3.046
180 2HD PRO 21 1HD PRO 21 5.819 11.888 3.600
181 H LYS 22 H LYS 22 4.970 12.820 -1.830
182 HA LYS 22 HA LYS 22 7.495 12.389 -2.971
183 1HB LYS 22 2HB LYS 22 5.071 11.952 -3.861
184 2HB LYS 22 1HB LYS 22 5.242 13.559 -4.553
185 1HG LYS 22 2HG LYS 22 7.595 12.200 -5.216
186 2HG LYS 22 1HG LYS 22 6.280 11.051 -5.477
187 1HD LYS 22 2HD LYS 22 5.250 12.397 -7.064
188 2HD LYS 22 1HD LYS 22 6.054 13.860 -6.490
189 1HE LYS 22 2HE LYS 22 8.060 12.037 -7.315
190 2HE LYS 22 1HE LYS 22 6.837 12.091 -8.582
191 1HZ LYS 22 1HZ LYS 22 8.481 13.770 -8.985
192 2HZ LYS 22 2HZ LYS 22 8.291 14.410 -7.432
193 3HZ LYS 22 3HZ LYS 22 7.033 14.532 -8.555
194 H ASN 23 H ASN 23 5.744 15.330 -2.272
195 HA ASN 23 HA ASN 23 7.715 16.911 -3.760
196 1HB ASN 23 2HB ASN 23 6.211 18.791 -3.479
197 2HB ASN 23 1HB ASN 23 5.309 17.411 -4.099
198 1HD2 ASN 23 1HD2 ASN 23 4.853 19.900 -2.270
199 2HD2 ASN 23 2HD2 ASN 23 3.862 19.256 -1.010
200 H SER 24 H SER 24 6.403 16.502 -0.495
201 HA SER 24 HA SER 24 8.284 18.429 0.592
202 1HB SER 24 2HB SER 24 5.757 17.502 1.368
203 2HB SER 24 1HB SER 24 6.870 16.885 2.591
204 HG SER 24 HG SER 24 6.606 18.841 3.359
205 H VAL 25 H VAL 25 9.678 17.875 2.415
206 HA VAL 25 HA VAL 25 10.892 15.229 2.026
207 HB VAL 25 HB VAL 25 12.350 17.193 1.648
208 1HG1 VAL 25 1HG1 VAL 25 11.866 18.927 3.013
209 2HG1 VAL 25 2HG1 VAL 25 13.094 18.178 4.033
210 3HG1 VAL 25 3HG1 VAL 25 11.385 17.881 4.350
211 1HG2 VAL 25 1HG2 VAL 25 13.178 15.609 4.075
212 2HG2 VAL 25 2HG2 VAL 25 14.238 16.389 2.903
213 3HG2 VAL 25 3HG2 VAL 25 13.250 15.011 2.418
214 H GLY 26 H GLY 26 11.429 13.918 3.790
215 1HA GLY 26 2HA GLY 26 11.303 14.448 6.470
216 2HA GLY 26 1HA GLY 26 9.635 14.123 6.022
217 H ARG 27 H ARG 27 9.928 12.352 7.595
218 HA ARG 27 HA ARG 27 11.551 10.112 6.702
219 1HB ARG 27 2HB ARG 27 10.096 10.838 9.183
220 2HB ARG 27 1HB ARG 27 10.236 9.122 8.828
221 1HG ARG 27 2HG ARG 27 12.398 9.071 9.370
222 2HG ARG 27 1HG ARG 27 12.744 10.575 8.513
223 1HD ARG 27 2HD ARG 27 11.907 11.868 10.382
224 2HD ARG 27 1HD ARG 27 11.435 10.395 11.226
225 HE ARG 27 HE ARG 27 13.779 9.875 11.476
226 1HH1 ARG 27 1HH1 ARG 27 13.029 13.111 10.424
227 2HH1 ARG 27 2HH1 ARG 27 14.553 13.765 10.922
228 1HH2 ARG 27 1HH2 ARG 27 15.788 10.728 12.136
229 2HH2 ARG 27 2HH2 ARG 27 16.122 12.410 11.894
230 H TRP 28 H TRP 28 10.666 7.987 6.384
231 HA TRP 28 HA TRP 28 8.219 8.052 4.860
232 1HB TRP 28 2HB TRP 28 10.190 5.847 5.479
233 2HB TRP 28 1HB TRP 28 8.745 5.601 4.506
234 HD1 TRP 28 HD TRP 28 11.553 8.299 4.388
235 HE1 TRP 28 1HE TRP 28 12.346 8.496 1.947
236 HE3 TRP 28 3HE TRP 28 8.545 4.749 2.265
237 HZ2 TRP 28 2HZ TRP 28 11.773 7.305 -0.547
238 HZ3 TRP 28 3HZ TRP 28 8.731 4.340 -0.154
239 HH2 TRP 28 HH TRP 28 10.312 5.592 -1.530
240 H LYS 29 H LYS 29 7.008 5.680 5.235
241 HA LYS 29 HA LYS 29 6.396 5.411 8.084
242 1HB LYS 29 2HB LYS 29 4.101 5.516 6.166
243 2HB LYS 29 1HB LYS 29 4.117 5.813 7.898
244 1HG LYS 29 2HG LYS 29 5.663 7.851 7.031
245 2HG LYS 29 1HG LYS 29 4.574 7.653 5.657
246 1HD LYS 29 2HD LYS 29 3.442 9.168 7.008
247 2HD LYS 29 1HD LYS 29 2.704 7.623 7.438
248 1HE LYS 29 2HE LYS 29 4.683 7.649 9.227
249 2HE LYS 29 1HE LYS 29 4.487 9.388 9.015
250 1HZ LYS 29 1HZ LYS 29 3.035 8.884 10.724
251 2HZ LYS 29 2HZ LYS 29 2.541 7.422 10.033
252 3HZ LYS 29 3HZ LYS 29 2.011 8.888 9.377
253 H GLU 30 H GLU 30 5.685 3.345 8.650
254 HA GLU 30 HA GLU 30 5.722 1.393 6.444
255 1HB GLU 30 2HB GLU 30 6.856 1.196 9.226
256 2HB GLU 30 1HB GLU 30 6.569 -0.222 8.226
257 1HG GLU 30 2HG GLU 30 8.108 0.571 6.564
258 2HG GLU 30 1HG GLU 30 8.312 2.095 7.427
259 H ALA 31 H ALA 31 4.107 0.011 6.266
260 HA ALA 31 HA ALA 31 2.289 -0.438 8.516
261 1HB ALA 31 1HB ALA 31 1.149 0.106 5.796
262 2HB ALA 31 2HB ALA 31 1.477 1.425 6.919
263 3HB ALA 31 3HB ALA 31 0.349 0.146 7.368
264 H THR 32 H THR 32 2.162 -2.575 8.781
265 HA THR 32 HA THR 32 2.915 -4.344 6.623
266 HB THR 32 HB THR 32 2.081 -5.010 9.450
267 HG1 THR 32 1HG THR 32 4.702 -5.366 8.626
268 1HG2 THR 32 1HG2 THR 32 3.202 -6.691 7.211
269 2HG2 THR 32 2HG2 THR 32 1.717 -6.949 8.128
270 3HG2 THR 32 3HG2 THR 32 3.284 -7.179 8.904
271 H ILE 33 H ILE 33 1.638 -5.565 5.417
272 HA ILE 33 HA ILE 33 -1.218 -5.746 6.115
273 HB ILE 33 HB ILE 33 -0.221 -5.702 3.273
274 1HG1 ILE 33 2HG1 ILE 33 -1.359 -3.348 4.795
275 2HG1 ILE 33 1HG1 ILE 33 0.355 -3.562 4.452
276 1HG2 ILE 33 1HG2 ILE 33 -2.765 -6.072 4.585
277 2HG2 ILE 33 2HG2 ILE 33 -2.321 -6.330 2.898
278 3HG2 ILE 33 3HG2 ILE 33 -2.822 -4.728 3.444
279 1HD1 ILE 33 1HD1 ILE 33 0.027 -2.467 2.560
280 2HD1 ILE 33 2HD1 ILE 33 -1.721 -2.480 2.795
281 3HD1 ILE 33 3HD1 ILE 33 -0.930 -3.836 1.992
282 HA PRO 34 HA PRO 34 0.142 -10.056 6.056
283 1HB PRO 34 2HB PRO 34 -2.640 -10.537 6.884
284 2HB PRO 34 1HB PRO 34 -1.137 -10.984 7.691
285 1HG PRO 34 2HG PRO 34 -2.719 -9.036 8.637
286 2HG PRO 34 1HG PRO 34 -0.952 -8.950 8.764
287 1HD PRO 34 2HD PRO 34 -2.787 -7.568 6.848
288 2HD PRO 34 1HD PRO 34 -1.342 -6.946 7.671
289 H GLY 35 H GLY 35 0.320 -10.600 3.938
290 1HA GLY 35 2HA GLY 35 -0.261 -11.487 1.909
291 2HA GLY 35 1HA GLY 35 -1.673 -12.131 2.729
292 H HIS 36 H HIS 36 -3.638 -11.057 2.579
293 HA HIS 36 HA HIS 36 -3.763 -8.622 0.978
294 1HB HIS 36 2HB HIS 36 -3.897 -10.744 -0.492
295 2HB HIS 36 1HB HIS 36 -5.494 -10.960 0.212
296 HD2 HIS 36 2HD HIS 36 -5.054 -7.285 -0.268
297 HE1 HIS 36 1HE HIS 36 -6.740 -8.741 -3.866
298 HE2 HIS 36 2HE HIS 36 -6.365 -6.689 -2.426
299 H LEU 37 H LEU 37 -4.906 -7.297 2.215
300 HA LEU 37 HA LEU 37 -6.912 -8.291 4.044
301 1HB LEU 37 2HB LEU 37 -5.286 -5.967 3.839
302 2HB LEU 37 1HB LEU 37 -6.959 -5.444 3.836
303 HG LEU 37 HG LEU 37 -6.272 -5.389 6.091
304 1HD1 LEU 37 1HD1 LEU 37 -7.438 -7.898 6.671
305 2HD1 LEU 37 2HD1 LEU 37 -8.242 -7.256 5.239
306 3HD1 LEU 37 3HD1 LEU 37 -8.189 -6.303 6.721
307 1HD2 LEU 37 1HD2 LEU 37 -5.511 -8.076 6.648
308 2HD2 LEU 37 2HD2 LEU 37 -4.574 -6.594 6.841
309 3HD2 LEU 37 3HD2 LEU 37 -4.532 -7.471 5.311
310 H ASN 38 H ASN 38 -6.878 -7.618 0.837
311 HA ASN 38 HA ASN 38 -8.525 -7.527 -0.728
312 1HB ASN 38 2HB ASN 38 -9.889 -8.568 1.398
313 2HB ASN 38 1HB ASN 38 -10.796 -7.090 1.095
314 1HD2 ASN 38 1HD2 ASN 38 -9.108 -9.184 -1.191
315 2HD2 ASN 38 2HD2 ASN 38 -10.508 -9.613 -2.106
316 H SER 39 H SER 39 -9.645 -5.439 1.950
317 HA SER 39 HA SER 39 -9.428 -3.158 0.103
318 1HB SER 39 2HB SER 39 -11.798 -4.195 1.260
319 2HB SER 39 1HB SER 39 -11.457 -2.667 2.072
320 HG SER 39 HG SER 39 -12.711 -2.451 0.126
321 H TYR 40 H TYR 40 -7.697 -2.095 0.831
322 HA TYR 40 HA TYR 40 -7.625 -1.377 3.687
323 1HB TYR 40 2HB TYR 40 -5.862 -3.043 3.140
324 2HB TYR 40 1HB TYR 40 -5.220 -1.935 1.932
325 HD1 TYR 40 1HD TYR 40 -3.918 -0.012 2.575
326 HD2 TYR 40 2HD TYR 40 -5.639 -2.539 5.535
327 HE1 TYR 40 1HE TYR 40 -2.515 1.052 4.291
328 HE2 TYR 40 2HE TYR 40 -4.239 -1.483 7.258
329 HH TYR 40 HH TYR 40 -1.974 1.132 6.441
330 H THR 41 H THR 41 -7.977 0.725 3.892
331 HA THR 41 HA THR 41 -6.886 2.540 1.840
332 HB THR 41 HB THR 41 -9.253 2.644 1.623
333 HG1 THR 41 1HG THR 41 -8.060 4.703 1.854
334 1HG2 THR 41 1HG2 THR 41 -9.199 2.253 4.508
335 2HG2 THR 41 2HG2 THR 41 -10.471 1.888 3.343
336 3HG2 THR 41 3HG2 THR 41 -10.329 3.513 4.013
337 H ILE 42 H ILE 42 -5.912 4.431 2.512
338 HA ILE 42 HA ILE 42 -5.081 4.472 5.310
339 HB ILE 42 HB ILE 42 -4.067 6.205 3.055
340 1HG1 ILE 42 2HG1 ILE 42 -2.636 3.790 4.131
341 2HG1 ILE 42 1HG1 ILE 42 -3.810 3.629 2.828
342 1HG2 ILE 42 1HG2 ILE 42 -2.028 6.036 4.769
343 2HG2 ILE 42 2HG2 ILE 42 -3.364 5.839 5.904
344 3HG2 ILE 42 3HG2 ILE 42 -3.276 7.277 4.887
345 1HD1 ILE 42 1HD1 ILE 42 -1.101 4.267 2.620
346 2HD1 ILE 42 2HD1 ILE 42 -1.976 5.752 2.245
347 3HD1 ILE 42 3HD1 ILE 42 -2.313 4.278 1.339
348 H LYS 43 H LYS 43 -5.715 6.004 6.726
349 HA LYS 43 HA LYS 43 -7.444 8.153 5.695
350 1HB LYS 43 2HB LYS 43 -7.442 6.927 8.455
351 2HB LYS 43 1HB LYS 43 -8.569 8.134 7.850
352 1HG LYS 43 2HG LYS 43 -9.890 6.557 7.039
353 2HG LYS 43 1HG LYS 43 -8.562 5.870 6.102
354 1HD LYS 43 2HD LYS 43 -8.690 4.082 7.429
355 2HD LYS 43 1HD LYS 43 -8.037 5.094 8.718
356 1HE LYS 43 2HE LYS 43 -10.966 5.154 8.159
357 2HE LYS 43 1HE LYS 43 -10.288 3.790 9.047
358 1HZ LYS 43 1HZ LYS 43 -10.659 5.139 10.791
359 2HZ LYS 43 2HZ LYS 43 -10.617 6.556 9.869
360 3HZ LYS 43 3HZ LYS 43 -9.173 5.818 10.348
361 H GLY 44 H GLY 44 -7.352 10.221 6.725
362 1HA GLY 44 2HA GLY 44 -6.350 11.834 8.145
363 2HA GLY 44 1HA GLY 44 -5.000 10.737 8.395
364 H LEU 45 H LEU 45 -6.399 11.690 5.291
365 HA LEU 45 HA LEU 45 -3.910 13.149 4.703
366 1HB LEU 45 2HB LEU 45 -5.191 11.900 2.388
367 2HB LEU 45 1HB LEU 45 -3.495 11.975 2.833
368 HG LEU 45 HG LEU 45 -5.409 10.069 4.164
369 1HD1 LEU 45 1HD1 LEU 45 -5.548 9.480 1.874
370 2HD1 LEU 45 2HD1 LEU 45 -4.401 8.361 2.609
371 3HD1 LEU 45 3HD1 LEU 45 -3.816 9.711 1.637
372 1HD2 LEU 45 1HD2 LEU 45 -2.695 9.196 3.896
373 2HD2 LEU 45 2HD2 LEU 45 -3.638 9.472 5.361
374 3HD2 LEU 45 3HD2 LEU 45 -2.736 10.800 4.631
375 H LYS 46 H LYS 46 -4.192 14.524 2.644
376 HA LYS 46 HA LYS 46 -6.885 15.541 2.260
377 1HB LYS 46 2HB LYS 46 -6.594 17.145 3.816
378 2HB LYS 46 1HB LYS 46 -4.858 16.890 3.886
379 1HG LYS 46 2HG LYS 46 -5.589 18.184 1.419
380 2HG LYS 46 1HG LYS 46 -6.215 19.073 2.808
381 1HD LYS 46 2HD LYS 46 -3.514 18.193 3.293
382 2HD LYS 46 1HD LYS 46 -3.609 19.122 1.796
383 1HE LYS 46 2HE LYS 46 -3.906 21.037 2.900
384 2HE LYS 46 1HE LYS 46 -5.162 20.335 3.919
385 1HZ LYS 46 1HZ LYS 46 -3.648 19.715 5.512
386 2HZ LYS 46 2HZ LYS 46 -2.970 21.168 4.975
387 3HZ LYS 46 3HZ LYS 46 -2.339 19.693 4.440
388 HA PRO 47 HA PRO 47 -5.458 15.793 -1.932
389 1HB PRO 47 2HB PRO 47 -7.335 18.098 -2.096
390 2HB PRO 47 1HB PRO 47 -7.231 16.655 -3.111
391 1HG PRO 47 2HG PRO 47 -9.174 16.911 -1.309
392 2HG PRO 47 1HG PRO 47 -8.396 15.342 -1.598
393 1HD PRO 47 2HD PRO 47 -8.026 17.258 0.665
394 2HD PRO 47 1HD PRO 47 -8.032 15.482 0.677
395 H GLY 48 H GLY 48 -4.289 17.194 -3.345
396 1HA GLY 48 2HA GLY 48 -3.406 19.423 -3.810
397 2HA GLY 48 1HA GLY 48 -3.324 19.678 -2.074
398 H VAL 49 H VAL 49 -1.968 17.825 -0.967
399 HA VAL 49 HA VAL 49 0.681 18.076 -2.043
400 HB VAL 49 HB VAL 49 0.694 18.195 0.272
401 1HG1 VAL 49 1HG1 VAL 49 -1.274 15.924 0.233
402 2HG1 VAL 49 2HG1 VAL 49 -1.503 17.569 0.825
403 3HG1 VAL 49 3HG1 VAL 49 -0.464 16.452 1.707
404 1HG2 VAL 49 1HG2 VAL 49 1.688 15.656 -0.799
405 2HG2 VAL 49 2HG2 VAL 49 1.402 15.628 0.940
406 3HG2 VAL 49 3HG2 VAL 49 2.483 16.836 0.243
407 H VAL 50 H VAL 50 1.863 16.621 -3.134
408 HA VAL 50 HA VAL 50 0.555 14.219 -4.083
409 HB VAL 50 HB VAL 50 1.822 15.492 -5.698
410 1HG1 VAL 50 1HG1 VAL 50 3.402 16.597 -4.273
411 2HG1 VAL 50 2HG1 VAL 50 4.288 15.695 -5.503
412 3HG1 VAL 50 3HG1 VAL 50 4.170 15.065 -3.860
413 1HG2 VAL 50 1HG2 VAL 50 3.532 13.698 -6.377
414 2HG2 VAL 50 2HG2 VAL 50 1.835 13.229 -6.269
415 3HG2 VAL 50 3HG2 VAL 50 2.950 12.810 -4.969
416 H TYR 51 H TYR 51 1.231 12.108 -3.692
417 HA TYR 51 HA TYR 51 3.172 11.782 -1.501
418 1HB TYR 51 2HB TYR 51 0.428 11.233 -1.432
419 2HB TYR 51 1HB TYR 51 1.193 9.664 -1.614
420 HD1 TYR 51 1HD TYR 51 -0.421 10.328 0.726
421 HD2 TYR 51 2HD TYR 51 3.728 10.963 0.037
422 HE1 TYR 51 1HE TYR 51 -0.020 10.291 3.149
423 HE2 TYR 51 2HE TYR 51 4.140 10.926 2.456
424 HH TYR 51 HH TYR 51 3.226 10.316 4.471
425 H GLU 52 H GLU 52 4.629 10.154 -1.651
426 HA GLU 52 HA GLU 52 4.573 8.541 -4.115
427 1HB GLU 52 2HB GLU 52 6.597 9.824 -4.007
428 2HB GLU 52 1HB GLU 52 6.852 9.397 -2.320
429 1HG GLU 52 2HG GLU 52 8.383 8.181 -3.730
430 2HG GLU 52 1HG GLU 52 7.240 7.069 -2.978
431 H GLY 53 H GLY 53 4.264 6.364 -3.910
432 1HA GLY 53 2HA GLY 53 4.453 5.282 -1.167
433 2HA GLY 53 1HA GLY 53 3.153 4.858 -2.264
434 H GLN 54 H GLN 54 5.188 3.277 -0.814
435 HA GLN 54 HA GLN 54 6.115 1.699 -3.112
436 1HB GLN 54 2HB GLN 54 7.726 2.747 -0.832
437 2HB GLN 54 1HB GLN 54 8.098 1.135 -1.429
438 1HG GLN 54 2HG GLN 54 7.928 2.632 -3.731
439 2HG GLN 54 1HG GLN 54 8.680 3.737 -2.581
440 1HE2 GLN 54 1HE2 GLN 54 10.174 3.065 -4.645
441 2HE2 GLN 54 2HE2 GLN 54 11.403 1.931 -4.211
442 H LEU 55 H LEU 55 5.560 -0.402 -2.968
443 HA LEU 55 HA LEU 55 4.798 -1.450 -0.321
444 1HB LEU 55 2HB LEU 55 2.941 -0.901 -2.065
445 2HB LEU 55 1HB LEU 55 3.484 -2.366 -2.856
446 HG LEU 55 HG LEU 55 2.707 -3.737 -1.143
447 1HD1 LEU 55 1HD1 LEU 55 2.795 -1.300 0.604
448 2HD1 LEU 55 2HD1 LEU 55 3.654 -2.828 0.800
449 3HD1 LEU 55 3HD1 LEU 55 1.911 -2.755 1.064
450 1HD2 LEU 55 1HD2 LEU 55 0.437 -2.455 -0.463
451 2HD2 LEU 55 2HD2 LEU 55 0.700 -3.235 -2.023
452 3HD2 LEU 55 3HD2 LEU 55 0.943 -1.497 -1.854
453 H ILE 56 H ILE 56 6.389 -2.812 0.211
454 HA ILE 56 HA ILE 56 7.337 -4.720 -1.827
455 HB ILE 56 HB ILE 56 8.805 -3.622 0.569
456 1HG1 ILE 56 2HG1 ILE 56 10.329 -3.152 -1.675
457 2HG1 ILE 56 1HG1 ILE 56 8.692 -2.923 -2.283
458 1HG2 ILE 56 1HG2 ILE 56 10.484 -5.077 -1.225
459 2HG2 ILE 56 2HG2 ILE 56 9.135 -6.103 -0.738
460 3HG2 ILE 56 3HG2 ILE 56 10.171 -5.369 0.486
461 1HD1 ILE 56 1HD1 ILE 56 9.203 -1.605 0.269
462 2HD1 ILE 56 2HD1 ILE 56 8.442 -0.992 -1.199
463 3HD1 ILE 56 3HD1 ILE 56 10.201 -1.022 -1.063
464 H SER 57 H SER 57 6.593 -6.703 -1.516
465 HA SER 57 HA SER 57 5.631 -7.570 1.065
466 1HB SER 57 2HB SER 57 4.886 -8.156 -1.493
467 2HB SER 57 1HB SER 57 5.863 -9.567 -1.091
468 HG SER 57 HG SER 57 3.520 -9.591 -0.539
469 H ILE 58 H ILE 58 6.747 -8.700 2.508
470 HA ILE 58 HA ILE 58 9.334 -9.842 1.690
471 HB ILE 58 HB ILE 58 8.493 -8.876 4.422
472 1HG1 ILE 58 2HG1 ILE 58 8.908 -7.136 2.614
473 2HG1 ILE 58 1HG1 ILE 58 9.877 -6.985 4.073
474 1HG2 ILE 58 1HG2 ILE 58 11.290 -9.172 4.226
475 2HG2 ILE 58 2HG2 ILE 58 10.569 -10.659 3.610
476 3HG2 ILE 58 3HG2 ILE 58 10.165 -10.089 5.229
477 1HD1 ILE 58 1HD1 ILE 58 10.811 -8.229 1.500
478 2HD1 ILE 58 2HD1 ILE 58 11.780 -7.952 2.947
479 3HD1 ILE 58 3HD1 ILE 58 11.160 -6.582 2.024
480 H GLN 59 H GLN 59 9.538 -11.971 1.771
481 HA GLN 59 HA GLN 59 7.565 -13.521 3.301
482 1HB GLN 59 2HB GLN 59 8.744 -13.832 0.678
483 2HB GLN 59 1HB GLN 59 9.014 -15.269 1.655
484 1HG GLN 59 2HG GLN 59 6.286 -14.104 1.604
485 2HG GLN 59 1HG GLN 59 6.852 -14.970 0.178
486 1HE2 GLN 59 1HE2 GLN 59 6.164 -16.977 0.159
487 2HE2 GLN 59 2HE2 GLN 59 6.007 -18.019 1.528
488 H GLN 60 H GLN 60 8.679 -15.866 3.726
489 HA GLN 60 HA GLN 60 10.501 -15.403 5.836
490 1HB GLN 60 2HB GLN 60 10.120 -18.098 4.569
491 2HB GLN 60 1HB GLN 60 10.391 -17.703 6.260
492 1HG GLN 60 2HG GLN 60 8.046 -16.449 5.856
493 2HG GLN 60 1HG GLN 60 7.897 -17.775 4.703
494 1HE2 GLN 60 1HE2 GLN 60 7.403 -16.847 7.842
495 2HE2 GLN 60 2HE2 GLN 60 7.258 -18.405 8.574
496 H TYR 61 H TYR 61 10.971 -15.687 2.503
497 HA TYR 61 HA TYR 61 13.759 -16.548 2.816
498 1HB TYR 61 2HB TYR 61 12.453 -16.093 0.156
499 2HB TYR 61 1HB TYR 61 13.754 -17.200 0.580
500 HD1 TYR 61 1HD TYR 61 13.209 -19.292 1.860
501 HD2 TYR 61 2HD TYR 61 10.190 -16.779 0.227
502 HE1 TYR 61 1HE TYR 61 11.583 -21.127 2.059
503 HE2 TYR 61 2HE TYR 61 8.556 -18.605 0.422
504 HH TYR 61 HH TYR 61 8.539 -21.057 0.557
505 H GLY 62 H GLY 62 12.029 -13.752 2.784
506 1HA GLY 62 2HA GLY 62 13.350 -11.697 3.018
507 2HA GLY 62 1HA GLY 62 14.306 -12.248 1.650
508 H HIS 63 H HIS 63 13.751 -10.026 0.894
509 HA HIS 63 HA HIS 63 11.113 -9.326 0.181
510 1HB HIS 63 2HB HIS 63 12.206 -7.645 -1.308
511 2HB HIS 63 1HB HIS 63 12.803 -7.614 0.348
512 HD2 HIS 63 2HD HIS 63 14.184 -7.495 -3.079
513 HE1 HIS 63 1HE HIS 63 17.201 -9.287 -0.711
514 HE2 HIS 63 2HE HIS 63 16.630 -8.356 -3.000
515 H GLN 64 H GLN 64 9.954 -9.573 -1.691
516 HA GLN 64 HA GLN 64 11.189 -10.989 -3.924
517 1HB GLN 64 2HB GLN 64 8.550 -12.069 -3.429
518 2HB GLN 64 1HB GLN 64 10.072 -12.911 -3.684
519 1HG GLN 64 2HG GLN 64 9.888 -11.707 -1.046
520 2HG GLN 64 1HG GLN 64 8.596 -12.865 -1.366
521 1HE2 GLN 64 1HE2 GLN 64 9.027 -14.917 -1.002
522 2HE2 GLN 64 2HE2 GLN 64 10.599 -15.621 -0.871
523 H GLU 65 H GLU 65 8.124 -9.643 -2.713
524 HA GLU 65 HA GLU 65 7.447 -8.795 -5.428
525 1HB GLU 65 2HB GLU 65 5.935 -9.831 -3.340
526 2HB GLU 65 1HB GLU 65 5.512 -8.125 -3.362
527 1HG GLU 65 2HG GLU 65 4.746 -8.243 -5.591
528 2HG GLU 65 1HG GLU 65 5.465 -9.835 -5.829
529 H VAL 66 H VAL 66 7.688 -6.772 -6.095
530 HA VAL 66 HA VAL 66 7.754 -4.608 -4.113
531 HB VAL 66 HB VAL 66 10.027 -4.749 -4.421
532 1HG1 VAL 66 1HG1 VAL 66 11.162 -5.476 -6.380
533 2HG1 VAL 66 2HG1 VAL 66 9.697 -5.339 -7.354
534 3HG1 VAL 66 3HG1 VAL 66 9.813 -6.582 -6.106
535 1HG2 VAL 66 1HG2 VAL 66 9.168 -2.507 -5.112
536 2HG2 VAL 66 2HG2 VAL 66 9.301 -3.031 -6.790
537 3HG2 VAL 66 3HG2 VAL 66 10.745 -2.920 -5.785
538 H THR 67 H THR 67 6.367 -3.051 -4.627
539 HA THR 67 HA THR 67 5.831 -2.475 -7.455
540 HB THR 67 HB THR 67 3.539 -2.440 -5.530
541 HG1 THR 67 1HG THR 67 4.868 -4.680 -6.434
542 1HG2 THR 67 1HG2 THR 67 3.965 -2.120 -8.372
543 2HG2 THR 67 2HG2 THR 67 2.540 -1.747 -7.402
544 3HG2 THR 67 3HG2 THR 67 2.772 -3.374 -8.043
545 H ARG 68 H ARG 68 5.814 -0.353 -7.904
546 HA ARG 68 HA ARG 68 5.754 1.523 -5.634
547 1HB ARG 68 2HB ARG 68 6.911 2.155 -8.338
548 2HB ARG 68 1HB ARG 68 7.222 2.948 -6.799
549 1HG ARG 68 2HG ARG 68 8.451 1.018 -6.015
550 2HG ARG 68 1HG ARG 68 8.075 0.147 -7.502
551 1HD ARG 68 2HD ARG 68 9.649 2.715 -7.347
552 2HD ARG 68 1HD ARG 68 10.352 1.105 -7.494
553 HE ARG 68 HE ARG 68 9.466 0.960 -9.694
554 1HH1 ARG 68 1HH1 ARG 68 9.008 4.070 -8.192
555 2HH1 ARG 68 2HH1 ARG 68 8.725 4.894 -9.688
556 1HH2 ARG 68 1HH2 ARG 68 9.091 2.035 -11.668
557 2HH2 ARG 68 2HH2 ARG 68 8.772 3.738 -11.664
558 H PHE 69 H PHE 69 4.389 3.260 -5.663
559 HA PHE 69 HA PHE 69 2.922 3.971 -8.045
560 1HB PHE 69 2HB PHE 69 0.696 3.667 -6.813
561 2HB PHE 69 1HB PHE 69 1.468 2.223 -7.459
562 HD1 PHE 69 1HD PHE 69 2.407 0.553 -5.996
563 HD2 PHE 69 2HD PHE 69 0.576 4.059 -4.426
564 HE1 PHE 69 1HE PHE 69 2.324 -0.492 -3.772
565 HE2 PHE 69 2HE PHE 69 0.492 3.023 -2.198
566 HZ PHE 69 HZ PHE 69 1.366 0.743 -1.868
567 H ASP 70 H ASP 70 2.567 6.073 -8.073
568 HA ASP 70 HA ASP 70 2.927 7.591 -5.597
569 1HB ASP 70 2HB ASP 70 2.751 9.526 -7.426
570 2HB ASP 70 1HB ASP 70 4.253 8.653 -7.142
571 H PHE 71 H PHE 71 1.227 8.382 -4.537
572 HA PHE 71 HA PHE 71 -1.293 8.721 -6.020
573 1HB PHE 71 2HB PHE 71 -2.511 7.994 -4.017
574 2HB PHE 71 1HB PHE 71 -1.439 6.733 -4.625
575 HD1 PHE 71 1HD PHE 71 0.977 6.768 -3.492
576 HD2 PHE 71 2HD PHE 71 -2.575 8.360 -1.771
577 HE1 PHE 71 1HE PHE 71 1.967 6.546 -1.252
578 HE2 PHE 71 2HE PHE 71 -1.590 8.144 0.472
579 HZ PHE 71 HZ PHE 71 0.684 7.234 0.734
580 H THR 72 H THR 72 -2.843 10.204 -4.987
581 HA THR 72 HA THR 72 -1.417 12.483 -3.795
582 HB THR 72 HB THR 72 -3.298 13.875 -4.618
583 HG1 THR 72 1HG THR 72 -4.185 11.888 -6.340
584 1HG2 THR 72 1HG2 THR 72 -1.408 13.848 -6.028
585 2HG2 THR 72 2HG2 THR 72 -2.781 13.550 -7.093
586 3HG2 THR 72 3HG2 THR 72 -1.750 12.211 -6.589
587 H THR 73 H THR 73 -2.829 13.910 -2.423
588 HA THR 73 HA THR 73 -4.315 14.303 -0.720
589 HB THR 73 HB THR 73 -5.148 11.407 -0.694
590 HG1 THR 73 1HG THR 73 -6.714 13.267 -2.051
591 1HG2 THR 73 1HG2 THR 73 -5.729 13.293 1.085
592 2HG2 THR 73 2HG2 THR 73 -6.914 12.083 0.594
593 3HG2 THR 73 3HG2 THR 73 -6.956 13.697 -0.116
594 H THR 74 H THR 74 -2.880 14.749 0.817
595 HA THR 74 HA THR 74 -2.175 12.634 2.695
596 HB THR 74 HB THR 74 0.032 12.633 2.355
597 HG1 THR 74 1HG THR 74 1.171 14.405 2.744
598 1HG2 THR 74 1HG2 THR 74 -0.854 14.159 -0.079
599 2HG2 THR 74 2HG2 THR 74 -0.411 12.455 0.054
600 3HG2 THR 74 3HG2 THR 74 0.833 13.702 0.161
601 H SER 75 H SER 75 -1.599 13.447 4.812
602 HA SER 75 HA SER 75 -1.716 16.278 5.316
603 1HB SER 75 2HB SER 75 -4.150 15.402 5.053
604 2HB SER 75 1HB SER 75 -3.890 14.689 6.645
605 HG SER 75 HG SER 75 -4.398 17.257 5.983
606 H THR 76 H THR 76 -0.813 13.179 6.142
607 HA THR 76 HA THR 76 -0.625 13.464 8.971
608 HB THR 76 HB THR 76 -0.621 11.237 8.330
609 HG1 THR 76 1HG THR 76 1.002 11.304 9.798
610 1HG2 THR 76 1HG2 THR 76 -0.258 11.455 5.974
611 2HG2 THR 76 2HG2 THR 76 0.928 10.309 6.600
612 3HG2 THR 76 3HG2 THR 76 1.412 11.964 6.226
613 H SER 77 H SER 77 2.376 12.538 7.531
614 HA SER 77 HA SER 77 4.486 13.329 7.915
615 1HB SER 77 2HB SER 77 3.372 14.768 5.994
616 2HB SER 77 1HB SER 77 3.541 16.067 7.175
617 HG SER 77 HG SER 77 5.692 15.906 7.072
618 H THR 78 H THR 78 4.163 13.036 10.265
619 HA THR 78 HA THR 78 4.596 15.580 11.640
620 HB THR 78 HB THR 78 2.352 15.377 12.210
621 HG1 THR 78 1HG THR 78 3.907 15.287 14.074
622 1HG2 THR 78 1HG2 THR 78 1.954 13.189 11.191
623 2HG2 THR 78 2HG2 THR 78 1.242 13.274 12.801
624 3HG2 THR 78 3HG2 THR 78 2.755 12.403 12.551
625 HA PRO 79 HA PRO 79 7.774 12.668 13.071
626 1HB PRO 79 2HB PRO 79 9.282 15.053 13.776
627 2HB PRO 79 1HB PRO 79 9.655 13.822 12.568
628 1HG PRO 79 2HG PRO 79 8.957 16.368 11.922
629 2HG PRO 79 1HG PRO 79 8.612 14.973 10.882
630 1HD PRO 79 2HD PRO 79 6.793 16.432 12.765
631 2HD PRO 79 1HD PRO 79 6.461 15.814 11.132
632 H GLY 80 H GLY 80 7.627 15.778 14.820
633 1HA GLY 80 2HA GLY 80 6.485 15.847 17.002
634 2HA GLY 80 1HA GLY 80 7.128 14.239 17.292
635 H SER 81 H SER 81 8.173 14.835 19.194
636 HA SER 81 HA SER 81 10.423 16.710 18.866
637 1HB SER 81 2HB SER 81 10.191 16.427 21.566
638 2HB SER 81 1HB SER 81 9.410 17.704 20.635
639 HG SER 81 HG SER 81 8.151 15.211 20.996
640 H ARG 82 H ARG 82 9.803 14.233 21.326
641 HA ARG 82 HA ARG 82 12.419 13.053 20.673
642 1HB ARG 82 2HB ARG 82 11.315 13.918 23.128
643 2HB ARG 82 1HB ARG 82 11.393 12.163 23.202
644 1HG ARG 82 2HG ARG 82 13.781 12.273 22.596
645 2HG ARG 82 1HG ARG 82 13.680 14.035 22.627
646 1HD ARG 82 2HD ARG 82 13.607 14.127 24.888
647 2HD ARG 82 1HD ARG 82 12.689 12.628 25.024
648 HE ARG 82 HE ARG 82 15.604 12.819 24.673
649 1HH1 ARG 82 1HH1 ARG 82 12.753 11.028 25.572
650 2HH1 ARG 82 2HH1 ARG 82 13.641 9.697 26.233
651 1HH2 ARG 82 1HH2 ARG 82 16.781 11.072 25.540
652 2HH2 ARG 82 2HH2 ARG 82 15.932 9.723 26.216
653 H SER 83 H SER 83 9.234 12.094 21.969
654 HA SER 83 HA SER 83 9.051 9.900 20.129
655 1HB SER 83 2HB SER 83 10.584 9.004 21.903
656 2HB SER 83 1HB SER 83 9.280 9.223 23.069
657 HG SER 83 HG SER 83 8.280 7.531 22.281
658 H HIS 84 H HIS 84 7.846 10.970 23.310
659 HA HIS 84 HA HIS 84 5.120 10.882 22.208
660 1HB HIS 84 2HB HIS 84 6.211 9.538 24.624
661 2HB HIS 84 1HB HIS 84 4.613 10.261 24.773
662 HD2 HIS 84 2HD HIS 84 2.738 8.444 24.280
663 HE1 HIS 84 1HE HIS 84 4.866 6.193 21.396
664 HE2 HIS 84 2HE HIS 84 2.765 6.305 22.812
665 H HIS 85 H HIS 85 4.132 11.613 24.941
666 HA HIS 85 HA HIS 85 3.597 13.466 26.133
667 1HB HIS 85 2HB HIS 85 6.377 14.313 25.301
668 2HB HIS 85 1HB HIS 85 5.376 15.214 26.435
669 HD2 HIS 85 2HD HIS 85 4.342 12.658 28.227
670 HE1 HIS 85 1HE HIS 85 8.489 12.066 28.831
671 HE2 HIS 85 2HE HIS 85 6.159 11.379 29.563
672 H HIS 86 H HIS 86 1.934 14.468 25.209
673 HA HIS 86 HA HIS 86 2.515 16.547 23.223
674 1HB HIS 86 2HB HIS 86 1.311 14.160 22.532
675 2HB HIS 86 1HB HIS 86 -0.061 15.231 22.790
676 HD2 HIS 86 2HD HIS 86 2.541 14.422 20.154
677 HE1 HIS 86 1HE HIS 86 0.689 18.054 19.020
678 HE2 HIS 86 2HE HIS 86 2.080 16.091 18.222
679 H HIS 87 H HIS 87 1.594 18.443 23.694
680 HA HIS 87 HA HIS 87 -0.623 18.458 25.635
681 1HB HIS 87 2HB HIS 87 1.957 19.818 25.695
682 2HB HIS 87 1HB HIS 87 0.605 20.930 25.887
683 HD2 HIS 87 2HD HIS 87 1.194 21.316 28.576
684 HE1 HIS 87 1HE HIS 87 0.266 17.344 29.708
685 HE2 HIS 87 2HE HIS 87 0.622 19.714 30.536
686 H HIS 88 H HIS 88 -2.410 18.970 24.553
687 HA HIS 88 HA HIS 88 -2.678 21.505 23.293
688 1HB HIS 88 2HB HIS 88 -1.557 19.851 21.559
689 2HB HIS 88 1HB HIS 88 -3.214 19.290 21.360
690 HD2 HIS 88 2HD HIS 88 -4.952 21.062 20.114
691 HE1 HIS 88 1HE HIS 88 -1.947 23.876 19.135
692 HE2 HIS 88 2HE HIS 88 -4.399 23.283 18.893
693 H HIS 89 H HIS 89 -4.387 21.720 24.731
694 HA HIS 89 HA HIS 89 -6.806 20.244 23.969
695 1HB HIS 89 2HB HIS 89 -7.201 20.686 26.658
696 2HB HIS 89 1HB HIS 89 -6.734 19.151 25.933
697 HD2 HIS 89 2HD HIS 89 -4.932 18.169 27.657
698 HE1 HIS 89 1HE HIS 89 -2.594 21.675 28.047
699 HE2 HIS 89 2HE HIS 89 -2.889 19.275 28.810
Start of MODEL 6
1 1H MET 1 1HT MET 1 -13.743 -12.717 12.699
2 2H MET 1 2HT MET 1 -12.072 -12.665 12.950
3 3H MET 1 3HT MET 1 -13.122 -12.773 14.272
4 HA MET 1 HA MET 1 -11.873 -14.862 13.192
5 1HB MET 1 2HB MET 1 -13.755 -14.336 15.165
6 2HB MET 1 1HB MET 1 -14.524 -15.573 14.181
7 1HG MET 1 2HG MET 1 -13.290 -16.555 16.024
8 2HG MET 1 1HG MET 1 -12.597 -17.026 14.473
9 1HE MET 1 1HE MET 1 -10.135 -17.416 14.534
10 2HE MET 1 2HE MET 1 -9.048 -16.031 14.641
11 3HE MET 1 3HE MET 1 -10.375 -16.023 13.480
12 H ARG 2 H ARG 2 -12.427 -13.929 10.812
13 HA ARG 2 HA ARG 2 -14.786 -15.175 9.681
14 1HB ARG 2 2HB ARG 2 -12.634 -13.366 8.663
15 2HB ARG 2 1HB ARG 2 -13.583 -14.291 7.507
16 1HG ARG 2 2HG ARG 2 -15.448 -13.160 9.246
17 2HG ARG 2 1HG ARG 2 -14.264 -11.889 8.929
18 1HD ARG 2 2HD ARG 2 -14.681 -11.890 6.649
19 2HD ARG 2 1HD ARG 2 -15.361 -13.517 6.674
20 HE ARG 2 HE ARG 2 -16.771 -11.231 7.884
21 1HH1 ARG 2 1HH1 ARG 2 -16.682 -13.990 5.757
22 2HH1 ARG 2 2HH1 ARG 2 -18.373 -13.921 5.389
23 1HH2 ARG 2 1HH2 ARG 2 -18.999 -11.133 7.402
24 2HH2 ARG 2 2HH2 ARG 2 -19.689 -12.299 6.322
25 H GLY 3 H GLY 3 -13.753 -15.899 7.159
26 1HA GLY 3 2HA GLY 3 -12.108 -17.419 6.225
27 2HA GLY 3 1HA GLY 3 -11.965 -18.151 7.817
28 H SER 4 H SER 4 -15.016 -17.899 7.988
29 HA SER 4 HA SER 4 -15.595 -20.551 7.182
30 1HB SER 4 2HB SER 4 -17.788 -18.581 7.679
31 2HB SER 4 1HB SER 4 -17.646 -20.258 8.207
32 HG SER 4 HG SER 4 -15.827 -18.362 9.184
33 H ASN 5 H ASN 5 -15.835 -21.201 5.161
34 HA ASN 5 HA ASN 5 -16.464 -21.326 2.984
35 1HB ASN 5 2HB ASN 5 -18.566 -19.514 4.117
36 2HB ASN 5 1HB ASN 5 -18.511 -19.807 2.382
37 1HD2 ASN 5 1HD2 ASN 5 -18.274 -22.212 1.832
38 2HD2 ASN 5 2HD2 ASN 5 -19.317 -23.282 2.702
39 H ALA 6 H ALA 6 -16.723 -20.007 0.925
40 HA ALA 6 HA ALA 6 -15.766 -18.576 -0.564
41 1HB ALA 6 1HB ALA 6 -17.248 -16.953 0.350
42 2HB ALA 6 2HB ALA 6 -15.680 -16.173 0.144
43 3HB ALA 6 3HB ALA 6 -16.203 -16.693 1.746
44 HA PRO 7 HA PRO 7 -11.544 -19.363 1.235
45 1HB PRO 7 2HB PRO 7 -11.088 -19.926 -1.645
46 2HB PRO 7 1HB PRO 7 -10.602 -20.858 -0.225
47 1HG PRO 7 2HG PRO 7 -12.606 -21.681 -1.782
48 2HG PRO 7 1HG PRO 7 -12.674 -21.877 -0.020
49 1HD PRO 7 2HD PRO 7 -14.043 -19.867 -1.761
50 2HD PRO 7 1HD PRO 7 -14.649 -20.714 -0.323
51 H GLN 8 H GLN 8 -10.403 -17.570 1.570
52 HA GLN 8 HA GLN 8 -10.128 -15.632 -0.632
53 1HB GLN 8 2HB GLN 8 -9.775 -13.921 1.082
54 2HB GLN 8 1HB GLN 8 -11.318 -14.734 1.309
55 1HG GLN 8 2HG GLN 8 -10.770 -15.301 3.372
56 2HG GLN 8 1HG GLN 8 -9.295 -16.087 2.810
57 1HE2 GLN 8 1HE2 GLN 8 -7.602 -15.376 3.873
58 2HE2 GLN 8 2HE2 GLN 8 -7.310 -13.744 4.362
59 HA PRO 9 HA PRO 9 -5.775 -16.463 -0.491
60 1HB PRO 9 2HB PRO 9 -4.880 -14.470 -2.038
61 2HB PRO 9 1HB PRO 9 -5.868 -15.777 -2.702
62 1HG PRO 9 2HG PRO 9 -6.659 -12.994 -1.955
63 2HG PRO 9 1HG PRO 9 -7.158 -13.964 -3.351
64 1HD PRO 9 2HD PRO 9 -8.651 -13.629 -1.047
65 2HD PRO 9 1HD PRO 9 -8.835 -14.979 -2.183
66 H SER 10 H SER 10 -4.017 -15.919 0.718
67 HA SER 10 HA SER 10 -4.257 -13.511 2.376
68 1HB SER 10 2HB SER 10 -3.623 -14.840 4.062
69 2HB SER 10 1HB SER 10 -3.511 -16.199 2.944
70 HG SER 10 HG SER 10 -1.546 -15.448 4.200
71 H HIS 11 H HIS 11 -2.783 -14.452 -0.401
72 HA HIS 11 HA HIS 11 -1.018 -13.720 -1.629
73 1HB HIS 11 2HB HIS 11 -1.097 -11.312 0.209
74 2HB HIS 11 1HB HIS 11 -0.456 -11.373 -1.432
75 HD2 HIS 11 2HD HIS 11 -2.388 -11.510 -3.475
76 HE1 HIS 11 1HE HIS 11 -5.585 -10.458 -0.907
77 HE2 HIS 11 2HE HIS 11 -4.859 -10.729 -3.322
78 H ILE 12 H ILE 12 0.965 -11.764 -0.188
79 HA ILE 12 HA ILE 12 2.957 -13.693 0.356
80 HB ILE 12 HB ILE 12 3.416 -11.381 -0.425
81 1HG1 ILE 12 2HG1 ILE 12 4.940 -11.218 2.027
82 2HG1 ILE 12 1HG1 ILE 12 4.855 -12.889 1.467
83 1HG2 ILE 12 1HG2 ILE 12 2.115 -10.751 2.149
84 2HG2 ILE 12 2HG2 ILE 12 2.125 -9.856 0.629
85 3HG2 ILE 12 3HG2 ILE 12 3.511 -9.764 1.715
86 1HD1 ILE 12 1HD1 ILE 12 5.409 -11.334 -0.800
87 2HD1 ILE 12 2HD1 ILE 12 6.489 -12.439 0.050
88 3HD1 ILE 12 3HD1 ILE 12 6.452 -10.733 0.489
89 H SER 13 H SER 13 4.062 -14.052 2.399
90 HA SER 13 HA SER 13 2.406 -14.702 4.535
91 1HB SER 13 2HB SER 13 5.306 -14.515 4.086
92 2HB SER 13 1HB SER 13 4.830 -14.242 5.762
93 HG SER 13 HG SER 13 5.172 -16.533 4.732
94 H LYS 14 H LYS 14 4.282 -11.804 3.862
95 HA LYS 14 HA LYS 14 2.489 -10.162 5.374
96 1HB LYS 14 2HB LYS 14 4.227 -9.253 6.905
97 2HB LYS 14 1HB LYS 14 3.827 -10.932 7.239
98 1HG LYS 14 2HG LYS 14 5.854 -11.486 5.754
99 2HG LYS 14 1HG LYS 14 6.305 -9.799 6.008
100 1HD LYS 14 2HD LYS 14 5.936 -10.348 8.519
101 2HD LYS 14 1HD LYS 14 6.098 -12.026 7.996
102 1HE LYS 14 2HE LYS 14 8.306 -11.777 7.425
103 2HE LYS 14 1HE LYS 14 8.140 -10.052 7.105
104 1HZ LYS 14 1HZ LYS 14 9.384 -10.845 9.208
105 2HZ LYS 14 2HZ LYS 14 7.836 -11.066 9.851
106 3HZ LYS 14 3HZ LYS 14 8.322 -9.533 9.325
107 H TYR 15 H TYR 15 2.639 -8.002 4.733
108 HA TYR 15 HA TYR 15 4.789 -7.420 2.806
109 1HB TYR 15 2HB TYR 15 2.962 -7.533 1.368
110 2HB TYR 15 1HB TYR 15 1.831 -6.961 2.592
111 HD1 TYR 15 1HD TYR 15 4.505 -5.958 0.307
112 HD2 TYR 15 2HD TYR 15 1.325 -4.688 2.805
113 HE1 TYR 15 1HE TYR 15 4.739 -3.696 -0.579
114 HE2 TYR 15 2HE TYR 15 1.535 -2.407 1.933
115 HH TYR 15 HH TYR 15 2.421 -1.263 -0.031
116 H ILE 16 H ILE 16 5.486 -5.189 2.678
117 HA ILE 16 HA ILE 16 4.810 -3.610 5.079
118 HB ILE 16 HB ILE 16 7.483 -3.922 3.712
119 1HG1 ILE 16 2HG1 ILE 16 8.069 -4.275 6.245
120 2HG1 ILE 16 1HG1 ILE 16 6.343 -4.590 6.407
121 1HG2 ILE 16 1HG2 ILE 16 6.830 -1.950 5.903
122 2HG2 ILE 16 2HG2 ILE 16 6.955 -1.518 4.197
123 3HG2 ILE 16 3HG2 ILE 16 8.363 -2.144 5.054
124 1HD1 ILE 16 1HD1 ILE 16 6.713 -6.678 5.797
125 2HD1 ILE 16 2HD1 ILE 16 8.415 -6.322 5.501
126 3HD1 ILE 16 3HD1 ILE 16 7.231 -6.102 4.213
127 H LEU 17 H LEU 17 3.869 -1.738 4.646
128 HA LEU 17 HA LEU 17 4.163 -0.603 1.952
129 1HB LEU 17 2HB LEU 17 1.887 -1.090 2.556
130 2HB LEU 17 1HB LEU 17 2.052 -0.231 4.075
131 HG LEU 17 HG LEU 17 2.546 1.826 2.512
132 1HD1 LEU 17 1HD1 LEU 17 0.731 1.277 0.549
133 2HD1 LEU 17 2HD1 LEU 17 1.620 -0.243 0.658
134 3HD1 LEU 17 3HD1 LEU 17 2.483 1.265 0.345
135 1HD2 LEU 17 1HD2 LEU 17 -0.287 1.333 2.291
136 2HD2 LEU 17 2HD2 LEU 17 0.577 2.497 3.296
137 3HD2 LEU 17 3HD2 LEU 17 0.321 0.851 3.875
138 H ARG 18 H ARG 18 5.603 0.972 1.804
139 HA ARG 18 HA ARG 18 5.895 2.803 4.087
140 1HB ARG 18 2HB ARG 18 8.190 3.185 2.691
141 2HB ARG 18 1HB ARG 18 8.028 2.081 4.049
142 1HG ARG 18 2HG ARG 18 7.217 0.565 1.897
143 2HG ARG 18 1HG ARG 18 8.545 1.530 1.250
144 1HD ARG 18 2HD ARG 18 8.554 -0.541 3.381
145 2HD ARG 18 1HD ARG 18 9.715 -0.247 2.087
146 HE ARG 18 HE ARG 18 10.094 1.903 3.613
147 1HH1 ARG 18 1HH1 ARG 18 9.807 -1.463 4.464
148 2HH1 ARG 18 2HH1 ARG 18 10.824 -1.329 5.860
149 1HH2 ARG 18 1HH2 ARG 18 11.432 2.089 5.449
150 2HH2 ARG 18 2HH2 ARG 18 11.746 0.690 6.420
151 H TRP 19 H TRP 19 5.493 4.887 3.762
152 HA TRP 19 HA TRP 19 5.571 5.949 1.044
153 1HB TRP 19 2HB TRP 19 3.387 6.975 1.228
154 2HB TRP 19 1HB TRP 19 3.234 5.240 1.475
155 HD1 TRP 19 HD TRP 19 2.666 8.559 3.181
156 HE1 TRP 19 1HE TRP 19 1.521 8.168 5.452
157 HE3 TRP 19 3HE TRP 19 3.119 3.474 3.458
158 HZ2 TRP 19 2HZ TRP 19 0.893 5.998 7.137
159 HZ3 TRP 19 3HZ TRP 19 2.219 2.318 5.435
160 HH2 TRP 19 HH TRP 19 1.130 3.555 7.236
161 H ARG 20 H ARG 20 5.669 8.225 0.918
162 HA ARG 20 HA ARG 20 5.971 9.837 3.272
163 1HB ARG 20 2HB ARG 20 8.164 9.356 3.552
164 2HB ARG 20 1HB ARG 20 8.315 8.658 1.948
165 1HG ARG 20 2HG ARG 20 8.068 11.599 2.083
166 2HG ARG 20 1HG ARG 20 9.562 10.897 2.706
167 1HD ARG 20 2HD ARG 20 8.686 9.783 0.143
168 2HD ARG 20 1HD ARG 20 9.073 11.501 0.087
169 HE ARG 20 HE ARG 20 10.929 9.356 0.870
170 1HH1 ARG 20 1HH1 ARG 20 10.310 12.617 -0.188
171 2HH1 ARG 20 2HH1 ARG 20 11.978 12.973 -0.489
172 1HH2 ARG 20 1HH2 ARG 20 13.126 9.816 0.477
173 2HH2 ARG 20 2HH2 ARG 20 13.578 11.381 -0.111
174 HA PRO 21 HA PRO 21 4.524 12.891 0.419
175 1HB PRO 21 2HB PRO 21 6.279 14.813 1.853
176 2HB PRO 21 1HB PRO 21 4.538 14.881 1.561
177 1HG PRO 21 2HG PRO 21 5.476 14.290 3.979
178 2HG PRO 21 1HG PRO 21 4.052 13.456 3.329
179 1HD PRO 21 2HD PRO 21 6.884 12.505 3.534
180 2HD PRO 21 1HD PRO 21 5.372 11.624 3.832
181 H LYS 22 H LYS 22 5.285 12.793 -1.601
182 HA LYS 22 HA LYS 22 8.018 12.720 -2.292
183 1HB LYS 22 2HB LYS 22 5.847 11.975 -3.593
184 2HB LYS 22 1HB LYS 22 5.959 13.593 -4.271
185 1HG LYS 22 2HG LYS 22 8.533 12.610 -4.494
186 2HG LYS 22 1HG LYS 22 7.509 11.221 -4.863
187 1HD LYS 22 2HD LYS 22 7.922 12.346 -6.918
188 2HD LYS 22 1HD LYS 22 6.254 12.702 -6.463
189 1HE LYS 22 2HE LYS 22 6.976 14.862 -5.550
190 2HE LYS 22 1HE LYS 22 8.635 14.505 -6.031
191 1HZ LYS 22 1HZ LYS 22 6.407 15.409 -7.627
192 2HZ LYS 22 2HZ LYS 22 7.293 14.153 -8.331
193 3HZ LYS 22 3HZ LYS 22 8.069 15.588 -7.888
194 H ASN 23 H ASN 23 5.685 15.354 -2.131
195 HA ASN 23 HA ASN 23 7.610 17.234 -3.248
196 1HB ASN 23 2HB ASN 23 4.830 17.093 -3.268
197 2HB ASN 23 1HB ASN 23 5.186 18.418 -2.166
198 1HD2 ASN 23 1HD2 ASN 23 5.717 17.189 -5.410
199 2HD2 ASN 23 2HD2 ASN 23 6.032 18.723 -6.140
200 H SER 24 H SER 24 5.902 16.655 -0.196
201 HA SER 24 HA SER 24 7.227 18.835 1.134
202 1HB SER 24 2HB SER 24 4.880 17.669 1.607
203 2HB SER 24 1HB SER 24 5.868 16.673 2.678
204 HG SER 24 HG SER 24 5.682 19.507 2.713
205 H VAL 25 H VAL 25 8.331 15.966 0.107
206 HA VAL 25 HA VAL 25 9.810 14.359 0.892
207 HB VAL 25 HB VAL 25 12.052 15.482 1.350
208 1HG1 VAL 25 1HG1 VAL 25 10.767 16.417 -1.195
209 2HG1 VAL 25 2HG1 VAL 25 11.071 14.708 -0.883
210 3HG1 VAL 25 3HG1 VAL 25 12.416 15.848 -0.930
211 1HG2 VAL 25 1HG2 VAL 25 11.962 17.624 1.971
212 2HG2 VAL 25 2HG2 VAL 25 10.291 17.793 1.433
213 3HG2 VAL 25 3HG2 VAL 25 11.612 17.988 0.282
214 H GLY 26 H GLY 26 8.297 14.087 2.865
215 1HA GLY 26 2HA GLY 26 9.599 14.922 5.355
216 2HA GLY 26 1HA GLY 26 7.993 14.222 5.214
217 H ARG 27 H ARG 27 8.481 12.729 6.875
218 HA ARG 27 HA ARG 27 10.617 10.811 6.426
219 1HB ARG 27 2HB ARG 27 8.574 10.668 8.629
220 2HB ARG 27 1HB ARG 27 10.211 10.027 8.611
221 1HG ARG 27 2HG ARG 27 10.846 11.843 9.705
222 2HG ARG 27 1HG ARG 27 10.510 12.771 8.242
223 1HD ARG 27 2HD ARG 27 9.393 13.606 10.336
224 2HD ARG 27 1HD ARG 27 8.317 13.296 8.974
225 HE ARG 27 HE ARG 27 7.657 11.236 10.087
226 1HH1 ARG 27 1HH1 ARG 27 9.362 13.600 11.999
227 2HH1 ARG 27 2HH1 ARG 27 8.755 13.006 13.508
228 1HH2 ARG 27 1HH2 ARG 27 6.853 10.449 12.068
229 2HH2 ARG 27 2HH2 ARG 27 7.328 11.214 13.548
230 H TRP 28 H TRP 28 10.122 8.458 6.675
231 HA TRP 28 HA TRP 28 7.882 7.776 4.937
232 1HB TRP 28 2HB TRP 28 10.285 6.227 5.900
233 2HB TRP 28 1HB TRP 28 8.981 5.481 4.984
234 HD1 TRP 28 HD TRP 28 11.757 8.124 4.592
235 HE1 TRP 28 1HE TRP 28 12.291 8.365 2.087
236 HE3 TRP 28 3HE TRP 28 8.083 5.124 2.686
237 HZ2 TRP 28 2HZ TRP 28 11.289 7.410 -0.373
238 HZ3 TRP 28 3HZ TRP 28 7.940 4.839 0.245
239 HH2 TRP 28 HH TRP 28 9.510 5.960 -1.251
240 H LYS 29 H LYS 29 6.842 5.565 5.457
241 HA LYS 29 HA LYS 29 6.498 5.027 8.286
242 1HB LYS 29 2HB LYS 29 4.624 6.661 6.812
243 2HB LYS 29 1HB LYS 29 3.850 5.175 7.345
244 1HG LYS 29 2HG LYS 29 5.302 6.085 9.551
245 2HG LYS 29 1HG LYS 29 4.542 7.519 8.853
246 1HD LYS 29 2HD LYS 29 2.377 6.561 9.031
247 2HD LYS 29 1HD LYS 29 3.039 4.970 9.409
248 1HE LYS 29 2HE LYS 29 3.383 5.484 11.583
249 2HE LYS 29 1HE LYS 29 3.831 7.152 11.226
250 1HZ LYS 29 1HZ LYS 29 1.465 6.313 12.295
251 2HZ LYS 29 2HZ LYS 29 1.074 6.628 10.680
252 3HZ LYS 29 3HZ LYS 29 1.770 7.839 11.633
253 H GLU 30 H GLU 30 6.408 2.868 8.497
254 HA GLU 30 HA GLU 30 5.441 1.327 6.182
255 1HB GLU 30 2HB GLU 30 7.116 -0.305 7.784
256 2HB GLU 30 1HB GLU 30 7.385 0.253 6.140
257 1HG GLU 30 2HG GLU 30 9.218 1.189 7.015
258 2HG GLU 30 1HG GLU 30 8.104 2.454 7.530
259 H ALA 31 H ALA 31 3.860 -0.072 6.460
260 HA ALA 31 HA ALA 31 3.211 -0.971 9.189
261 1HB ALA 31 1HB ALA 31 1.680 0.840 7.870
262 2HB ALA 31 2HB ALA 31 1.063 -0.294 9.073
263 3HB ALA 31 3HB ALA 31 0.930 -0.671 7.356
264 H THR 32 H THR 32 2.738 -3.135 9.361
265 HA THR 32 HA THR 32 3.259 -4.725 7.002
266 HB THR 32 HB THR 32 2.702 -5.635 9.827
267 HG1 THR 32 1HG THR 32 5.058 -5.160 8.328
268 1HG2 THR 32 1HG2 THR 32 2.102 -7.248 7.934
269 2HG2 THR 32 2HG2 THR 32 3.247 -7.838 9.139
270 3HG2 THR 32 3HG2 THR 32 3.829 -7.290 7.568
271 H ILE 33 H ILE 33 1.777 -5.267 5.672
272 HA ILE 33 HA ILE 33 -0.884 -6.032 6.649
273 HB ILE 33 HB ILE 33 -0.604 -4.822 3.933
274 1HG1 ILE 33 2HG1 ILE 33 -1.432 -2.852 5.901
275 2HG1 ILE 33 1HG1 ILE 33 0.215 -3.398 6.193
276 1HG2 ILE 33 1HG2 ILE 33 -2.682 -5.950 4.893
277 2HG2 ILE 33 2HG2 ILE 33 -2.893 -4.363 4.152
278 3HG2 ILE 33 3HG2 ILE 33 -2.845 -4.517 5.908
279 1HD1 ILE 33 1HD1 ILE 33 -0.200 -2.873 3.397
280 2HD1 ILE 33 2HD1 ILE 33 0.979 -2.181 4.513
281 3HD1 ILE 33 3HD1 ILE 33 -0.631 -1.471 4.378
282 HA PRO 34 HA PRO 34 0.724 -9.747 4.626
283 1HB PRO 34 2HB PRO 34 -2.098 -10.560 5.104
284 2HB PRO 34 1HB PRO 34 -0.608 -11.432 5.462
285 1HG PRO 34 2HG PRO 34 -1.979 -10.269 7.413
286 2HG PRO 34 1HG PRO 34 -0.205 -10.193 7.393
287 1HD PRO 34 2HD PRO 34 -2.204 -8.091 6.659
288 2HD PRO 34 1HD PRO 34 -0.653 -7.927 7.510
289 H GLY 35 H GLY 35 0.784 -8.384 2.668
290 1HA GLY 35 2HA GLY 35 0.180 -7.811 0.530
291 2HA GLY 35 1HA GLY 35 -0.373 -9.480 0.459
292 H HIS 36 H HIS 36 -1.719 -6.885 2.447
293 HA HIS 36 HA HIS 36 -3.796 -5.966 2.559
294 1HB HIS 36 2HB HIS 36 -2.980 -5.730 -0.095
295 2HB HIS 36 1HB HIS 36 -4.614 -6.373 -0.203
296 HD2 HIS 36 2HD HIS 36 -6.289 -4.730 1.836
297 HE1 HIS 36 1HE HIS 36 -4.362 -1.289 0.302
298 HE2 HIS 36 2HE HIS 36 -6.256 -2.138 1.758
299 H LEU 37 H LEU 37 -4.891 -7.410 3.798
300 HA LEU 37 HA LEU 37 -5.861 -9.904 2.831
301 1HB LEU 37 2HB LEU 37 -7.241 -9.794 4.996
302 2HB LEU 37 1HB LEU 37 -5.495 -9.885 5.118
303 HG LEU 37 HG LEU 37 -6.637 -7.159 5.110
304 1HD1 LEU 37 1HD1 LEU 37 -7.776 -9.124 6.784
305 2HD1 LEU 37 2HD1 LEU 37 -8.012 -7.376 6.833
306 3HD1 LEU 37 3HD1 LEU 37 -6.730 -8.120 7.789
307 1HD2 LEU 37 1HD2 LEU 37 -4.379 -8.653 6.341
308 2HD2 LEU 37 2HD2 LEU 37 -4.967 -7.199 7.149
309 3HD2 LEU 37 3HD2 LEU 37 -4.384 -7.111 5.487
310 H ASN 38 H ASN 38 -7.230 -6.685 3.090
311 HA ASN 38 HA ASN 38 -9.335 -7.369 1.275
312 1HB ASN 38 2HB ASN 38 -9.872 -7.261 4.183
313 2HB ASN 38 1HB ASN 38 -11.012 -6.390 3.161
314 1HD2 ASN 38 1HD2 ASN 38 -10.745 -9.123 4.723
315 2HD2 ASN 38 2HD2 ASN 38 -11.550 -10.217 3.654
316 H SER 39 H SER 39 -9.728 -4.967 3.801
317 HA SER 39 HA SER 39 -9.075 -2.864 1.845
318 1HB SER 39 2HB SER 39 -10.876 -1.575 3.333
319 2HB SER 39 1HB SER 39 -11.348 -2.552 1.942
320 HG SER 39 HG SER 39 -12.607 -3.117 3.719
321 H TYR 40 H TYR 40 -7.521 -1.531 2.482
322 HA TYR 40 HA TYR 40 -7.091 -1.145 5.369
323 1HB TYR 40 2HB TYR 40 -5.389 -2.670 4.280
324 2HB TYR 40 1HB TYR 40 -4.869 -1.283 3.329
325 HD1 TYR 40 1HD TYR 40 -3.332 0.255 4.203
326 HD2 TYR 40 2HD TYR 40 -5.241 -2.504 6.819
327 HE1 TYR 40 1HE TYR 40 -1.828 0.946 6.021
328 HE2 TYR 40 2HE TYR 40 -3.741 -1.821 8.644
329 HH TYR 40 HH TYR 40 -1.031 -0.507 8.402
330 H THR 41 H THR 41 -7.341 0.905 5.923
331 HA THR 41 HA THR 41 -7.054 2.986 3.880
332 HB THR 41 HB THR 41 -9.170 2.901 5.185
333 HG1 THR 41 1HG THR 41 -8.422 4.900 4.325
334 1HG2 THR 41 1HG2 THR 41 -8.663 4.086 7.572
335 2HG2 THR 41 2HG2 THR 41 -7.261 3.026 7.426
336 3HG2 THR 41 3HG2 THR 41 -8.889 2.350 7.358
337 H ILE 42 H ILE 42 -5.754 4.809 4.187
338 HA ILE 42 HA ILE 42 -3.653 4.457 6.219
339 HB ILE 42 HB ILE 42 -3.519 6.081 3.675
340 1HG1 ILE 42 2HG1 ILE 42 -1.942 3.582 4.093
341 2HG1 ILE 42 1HG1 ILE 42 -3.640 3.426 3.655
342 1HG2 ILE 42 1HG2 ILE 42 -0.968 5.370 4.649
343 2HG2 ILE 42 2HG2 ILE 42 -1.884 6.011 6.012
344 3HG2 ILE 42 3HG2 ILE 42 -1.688 6.977 4.549
345 1HD1 ILE 42 1HD1 ILE 42 -1.417 4.683 2.092
346 2HD1 ILE 42 2HD1 ILE 42 -3.113 4.983 1.717
347 3HD1 ILE 42 3HD1 ILE 42 -2.469 3.344 1.637
348 H LYS 43 H LYS 43 -3.852 5.710 7.916
349 HA LYS 43 HA LYS 43 -4.832 7.360 9.245
350 1HB LYS 43 2HB LYS 43 -2.965 8.989 7.527
351 2HB LYS 43 1HB LYS 43 -3.363 9.242 9.221
352 1HG LYS 43 2HG LYS 43 -1.814 6.920 8.089
353 2HG LYS 43 1HG LYS 43 -1.149 8.284 8.986
354 1HD LYS 43 2HD LYS 43 -1.396 7.006 10.806
355 2HD LYS 43 1HD LYS 43 -3.122 7.344 10.661
356 1HE LYS 43 2HE LYS 43 -3.591 5.287 9.774
357 2HE LYS 43 1HE LYS 43 -1.990 5.112 9.055
358 1HZ LYS 43 1HZ LYS 43 -1.545 5.160 11.759
359 2HZ LYS 43 2HZ LYS 43 -1.526 3.792 10.763
360 3HZ LYS 43 3HZ LYS 43 -2.940 4.215 11.589
361 H GLY 44 H GLY 44 -4.409 10.186 7.698
362 1HA GLY 44 2HA GLY 44 -6.889 10.209 6.182
363 2HA GLY 44 1HA GLY 44 -6.904 11.140 7.673
364 H LEU 45 H LEU 45 -5.294 10.787 4.548
365 HA LEU 45 HA LEU 45 -3.772 13.169 4.718
366 1HB LEU 45 2HB LEU 45 -4.724 11.750 2.229
367 2HB LEU 45 1HB LEU 45 -3.378 12.865 2.350
368 HG LEU 45 HG LEU 45 -2.390 10.756 2.225
369 1HD1 LEU 45 1HD1 LEU 45 -1.182 10.521 4.217
370 2HD1 LEU 45 2HD1 LEU 45 -2.515 11.142 5.194
371 3HD1 LEU 45 3HD1 LEU 45 -1.618 12.228 4.130
372 1HD2 LEU 45 1HD2 LEU 45 -3.896 9.542 4.468
373 2HD2 LEU 45 2HD2 LEU 45 -3.174 8.792 3.043
374 3HD2 LEU 45 3HD2 LEU 45 -4.695 9.673 2.901
375 H LYS 46 H LYS 46 -4.442 14.273 2.125
376 HA LYS 46 HA LYS 46 -7.159 15.222 2.291
377 1HB LYS 46 2HB LYS 46 -6.645 16.951 3.642
378 2HB LYS 46 1HB LYS 46 -4.920 16.772 3.370
379 1HG LYS 46 2HG LYS 46 -6.439 17.888 1.112
380 2HG LYS 46 1HG LYS 46 -6.378 18.890 2.564
381 1HD LYS 46 2HD LYS 46 -3.925 18.700 2.568
382 2HD LYS 46 1HD LYS 46 -4.009 17.738 1.091
383 1HE LYS 46 2HE LYS 46 -4.237 19.549 -0.190
384 2HE LYS 46 1HE LYS 46 -5.469 20.237 0.867
385 1HZ LYS 46 1HZ LYS 46 -3.951 21.713 1.479
386 2HZ LYS 46 2HZ LYS 46 -2.717 20.902 0.654
387 3HZ LYS 46 3HZ LYS 46 -3.097 20.469 2.244
388 HA PRO 47 HA PRO 47 -6.645 15.285 -2.096
389 1HB PRO 47 2HB PRO 47 -8.557 17.558 -2.042
390 2HB PRO 47 1HB PRO 47 -8.654 16.025 -2.917
391 1HG PRO 47 2HG PRO 47 -10.167 16.463 -0.770
392 2HG PRO 47 1HG PRO 47 -9.446 14.870 -1.069
393 1HD PRO 47 2HD PRO 47 -8.599 17.005 0.847
394 2HD PRO 47 1HD PRO 47 -8.621 15.241 1.060
395 H GLY 48 H GLY 48 -4.670 16.077 -2.655
396 1HA GLY 48 2HA GLY 48 -3.990 18.144 -4.005
397 2HA GLY 48 1HA GLY 48 -4.269 18.994 -2.493
398 H VAL 49 H VAL 49 -3.126 16.113 -1.528
399 HA VAL 49 HA VAL 49 -0.370 17.128 -1.414
400 HB VAL 49 HB VAL 49 -1.782 15.113 0.340
401 1HG1 VAL 49 1HG1 VAL 49 0.962 15.292 -0.213
402 2HG1 VAL 49 2HG1 VAL 49 0.181 14.381 1.079
403 3HG1 VAL 49 3HG1 VAL 49 0.736 16.029 1.373
404 1HG2 VAL 49 1HG2 VAL 49 -2.468 16.943 1.409
405 2HG2 VAL 49 2HG2 VAL 49 -1.413 17.987 0.458
406 3HG2 VAL 49 3HG2 VAL 49 -0.790 17.175 1.895
407 H VAL 50 H VAL 50 1.010 16.240 -2.800
408 HA VAL 50 HA VAL 50 0.438 13.682 -4.023
409 HB VAL 50 HB VAL 50 1.319 15.340 -5.496
410 1HG1 VAL 50 1HG1 VAL 50 3.946 15.826 -4.759
411 2HG1 VAL 50 2HG1 VAL 50 3.038 15.955 -3.253
412 3HG1 VAL 50 3HG1 VAL 50 2.591 16.948 -4.639
413 1HG2 VAL 50 1HG2 VAL 50 2.425 12.836 -5.227
414 2HG2 VAL 50 2HG2 VAL 50 3.835 13.887 -5.332
415 3HG2 VAL 50 3HG2 VAL 50 2.621 13.912 -6.610
416 H TYR 51 H TYR 51 0.990 11.840 -3.096
417 HA TYR 51 HA TYR 51 3.268 11.809 -1.237
418 1HB TYR 51 2HB TYR 51 0.634 10.537 -1.248
419 2HB TYR 51 1HB TYR 51 1.940 9.417 -0.892
420 HD1 TYR 51 1HD TYR 51 -0.127 12.080 0.369
421 HD2 TYR 51 2HD TYR 51 3.466 9.905 1.050
422 HE1 TYR 51 1HE TYR 51 -0.110 12.851 2.704
423 HE2 TYR 51 2HE TYR 51 3.495 10.672 3.385
424 HH TYR 51 HH TYR 51 2.031 11.535 5.060
425 H GLU 52 H GLU 52 4.350 9.642 -1.084
426 HA GLU 52 HA GLU 52 4.699 8.432 -3.747
427 1HB GLU 52 2HB GLU 52 6.653 9.779 -3.337
428 2HB GLU 52 1HB GLU 52 6.807 9.155 -1.700
429 1HG GLU 52 2HG GLU 52 8.343 7.810 -2.605
430 2HG GLU 52 1HG GLU 52 6.952 6.864 -3.132
431 H GLY 53 H GLY 53 4.472 6.252 -3.770
432 1HA GLY 53 2HA GLY 53 4.732 4.839 -1.202
433 2HA GLY 53 1HA GLY 53 3.269 4.653 -2.152
434 H GLN 54 H GLN 54 5.519 2.841 -1.254
435 HA GLN 54 HA GLN 54 5.912 1.551 -3.862
436 1HB GLN 54 2HB GLN 54 8.073 0.845 -2.133
437 2HB GLN 54 1HB GLN 54 8.139 1.643 -3.698
438 1HG GLN 54 2HG GLN 54 7.649 3.798 -2.428
439 2HG GLN 54 1HG GLN 54 8.032 2.881 -0.971
440 1HE2 GLN 54 1HE2 GLN 54 10.148 1.576 -1.231
441 2HE2 GLN 54 2HE2 GLN 54 11.485 2.462 -1.874
442 H LEU 55 H LEU 55 5.575 -0.640 -3.876
443 HA LEU 55 HA LEU 55 4.537 -1.772 -1.383
444 1HB LEU 55 2HB LEU 55 4.111 -2.303 -4.282
445 2HB LEU 55 1HB LEU 55 3.963 -3.662 -3.193
446 HG LEU 55 HG LEU 55 1.876 -2.213 -3.920
447 1HD1 LEU 55 1HD1 LEU 55 2.447 -4.011 -1.822
448 2HD1 LEU 55 2HD1 LEU 55 0.882 -3.630 -2.546
449 3HD1 LEU 55 3HD1 LEU 55 1.449 -2.720 -1.142
450 1HD2 LEU 55 1HD2 LEU 55 2.563 -0.814 -1.357
451 2HD2 LEU 55 2HD2 LEU 55 1.306 -0.429 -2.531
452 3HD2 LEU 55 3HD2 LEU 55 3.000 -0.140 -2.926
453 H ILE 56 H ILE 56 6.154 -2.706 -0.210
454 HA ILE 56 HA ILE 56 7.930 -4.558 -1.664
455 HB ILE 56 HB ILE 56 8.574 -3.248 0.980
456 1HG1 ILE 56 2HG1 ILE 56 10.367 -2.127 -0.609
457 2HG1 ILE 56 1HG1 ILE 56 9.152 -2.429 -1.846
458 1HG2 ILE 56 1HG2 ILE 56 10.924 -4.046 -0.028
459 2HG2 ILE 56 2HG2 ILE 56 9.870 -5.246 -0.780
460 3HG2 ILE 56 3HG2 ILE 56 9.911 -5.085 0.977
461 1HD1 ILE 56 1HD1 ILE 56 7.677 -0.922 -0.954
462 2HD1 ILE 56 2HD1 ILE 56 9.223 -0.158 -0.583
463 3HD1 ILE 56 3HD1 ILE 56 8.357 -1.050 0.668
464 H SER 57 H SER 57 7.291 -6.543 -1.349
465 HA SER 57 HA SER 57 5.915 -7.249 1.131
466 1HB SER 57 2HB SER 57 5.324 -7.636 -1.554
467 2HB SER 57 1HB SER 57 5.838 -9.228 -0.983
468 HG SER 57 HG SER 57 3.704 -9.127 -0.523
469 H ILE 58 H ILE 58 6.690 -8.717 2.498
470 HA ILE 58 HA ILE 58 9.151 -10.141 1.738
471 HB ILE 58 HB ILE 58 8.299 -9.409 4.537
472 1HG1 ILE 58 2HG1 ILE 58 10.156 -8.036 2.590
473 2HG1 ILE 58 1HG1 ILE 58 8.756 -7.358 3.407
474 1HG2 ILE 58 1HG2 ILE 58 11.091 -9.847 4.217
475 2HG2 ILE 58 2HG2 ILE 58 10.223 -11.216 3.522
476 3HG2 ILE 58 3HG2 ILE 58 9.938 -10.749 5.200
477 1HD1 ILE 58 1HD1 ILE 58 11.257 -8.238 4.823
478 2HD1 ILE 58 2HD1 ILE 58 9.898 -7.342 5.502
479 3HD1 ILE 58 3HD1 ILE 58 10.938 -6.585 4.296
480 H GLN 59 H GLN 59 9.120 -12.272 1.707
481 HA GLN 59 HA GLN 59 6.783 -13.677 2.782
482 1HB GLN 59 2HB GLN 59 8.503 -14.022 0.469
483 2HB GLN 59 1HB GLN 59 8.403 -15.505 1.408
484 1HG GLN 59 2HG GLN 59 5.799 -14.333 1.093
485 2HG GLN 59 1HG GLN 59 6.578 -14.550 -0.471
486 1HE2 GLN 59 1HE2 GLN 59 5.558 -16.272 -1.278
487 2HE2 GLN 59 2HE2 GLN 59 5.467 -17.820 -0.517
488 H GLN 60 H GLN 60 7.554 -16.107 3.396
489 HA GLN 60 HA GLN 60 9.006 -15.811 5.811
490 1HB GLN 60 2HB GLN 60 8.841 -18.264 5.978
491 2HB GLN 60 1HB GLN 60 7.296 -17.530 5.574
492 1HG GLN 60 2HG GLN 60 7.477 -18.216 3.302
493 2HG GLN 60 1HG GLN 60 9.143 -18.743 3.537
494 1HE2 GLN 60 1HE2 GLN 60 6.518 -20.084 2.755
495 2HE2 GLN 60 2HE2 GLN 60 6.466 -21.491 3.756
496 H TYR 61 H TYR 61 9.949 -16.251 2.586
497 HA TYR 61 HA TYR 61 12.602 -17.262 3.335
498 1HB TYR 61 2HB TYR 61 11.335 -18.438 1.530
499 2HB TYR 61 1HB TYR 61 11.398 -16.962 0.576
500 HD1 TYR 61 1HD TYR 61 13.072 -16.769 -0.996
501 HD2 TYR 61 2HD TYR 61 13.720 -19.274 2.381
502 HE1 TYR 61 1HE TYR 61 15.236 -17.458 -1.931
503 HE2 TYR 61 2HE TYR 61 15.889 -19.969 1.455
504 HH TYR 61 HH TYR 61 17.173 -19.978 -0.423
505 H GLY 62 H GLY 62 11.035 -14.382 2.845
506 1HA GLY 62 2HA GLY 62 12.566 -12.431 3.222
507 2HA GLY 62 1HA GLY 62 13.501 -13.067 1.877
508 H HIS 63 H HIS 63 12.739 -10.510 1.682
509 HA HIS 63 HA HIS 63 10.209 -10.015 0.559
510 1HB HIS 63 2HB HIS 63 11.431 -7.986 -0.470
511 2HB HIS 63 1HB HIS 63 11.354 -8.106 1.284
512 HD2 HIS 63 2HD HIS 63 13.681 -6.546 1.440
513 HE1 HIS 63 1HE HIS 63 16.187 -9.590 -0.097
514 HE2 HIS 63 2HE HIS 63 16.116 -7.264 0.910
515 H GLN 64 H GLN 64 9.428 -10.055 -1.510
516 HA GLN 64 HA GLN 64 11.239 -10.722 -3.697
517 1HB GLN 64 2HB GLN 64 8.788 -12.347 -3.725
518 2HB GLN 64 1HB GLN 64 10.430 -12.776 -4.176
519 1HG GLN 64 2HG GLN 64 10.100 -12.400 -1.310
520 2HG GLN 64 1HG GLN 64 9.072 -13.672 -1.969
521 1HE2 GLN 64 1HE2 GLN 64 10.356 -15.135 -0.708
522 2HE2 GLN 64 2HE2 GLN 64 11.887 -15.675 -1.301
523 H GLU 65 H GLU 65 9.037 -8.645 -2.682
524 HA GLU 65 HA GLU 65 8.048 -8.184 -5.395
525 1HB GLU 65 2HB GLU 65 6.424 -9.331 -3.489
526 2HB GLU 65 1HB GLU 65 6.011 -7.626 -3.375
527 1HG GLU 65 2HG GLU 65 4.741 -7.798 -5.170
528 2HG GLU 65 1HG GLU 65 6.129 -8.322 -6.123
529 H VAL 66 H VAL 66 8.680 -6.215 -5.936
530 HA VAL 66 HA VAL 66 8.249 -4.044 -4.020
531 HB VAL 66 HB VAL 66 10.508 -4.247 -3.662
532 1HG1 VAL 66 1HG1 VAL 66 10.947 -4.834 -6.583
533 2HG1 VAL 66 2HG1 VAL 66 10.825 -6.047 -5.306
534 3HG1 VAL 66 3HG1 VAL 66 12.157 -4.889 -5.299
535 1HG2 VAL 66 1HG2 VAL 66 11.552 -2.364 -4.611
536 2HG2 VAL 66 2HG2 VAL 66 9.829 -1.987 -4.600
537 3HG2 VAL 66 3HG2 VAL 66 10.613 -2.491 -6.098
538 H THR 67 H THR 67 7.182 -2.387 -4.895
539 HA THR 67 HA THR 67 7.433 -1.875 -7.776
540 HB THR 67 HB THR 67 4.738 -1.750 -6.436
541 HG1 THR 67 1HG THR 67 5.708 -3.940 -6.444
542 1HG2 THR 67 1HG2 THR 67 4.747 -0.530 -8.449
543 2HG2 THR 67 2HG2 THR 67 4.055 -2.095 -8.878
544 3HG2 THR 67 3HG2 THR 67 5.737 -1.734 -9.273
545 H ARG 68 H ARG 68 7.671 0.234 -8.251
546 HA ARG 68 HA ARG 68 7.244 2.167 -6.075
547 1HB ARG 68 2HB ARG 68 9.011 2.426 -8.513
548 2HB ARG 68 1HB ARG 68 8.890 3.582 -7.194
549 1HG ARG 68 2HG ARG 68 9.680 1.731 -5.667
550 2HG ARG 68 1HG ARG 68 10.049 0.812 -7.128
551 1HD ARG 68 2HD ARG 68 12.075 1.818 -6.707
552 2HD ARG 68 1HD ARG 68 11.339 2.978 -7.812
553 HE ARG 68 HE ARG 68 10.594 3.949 -5.435
554 1HH1 ARG 68 1HH1 ARG 68 13.690 2.857 -6.607
555 2HH1 ARG 68 2HH1 ARG 68 14.594 3.938 -5.601
556 1HH2 ARG 68 1HH2 ARG 68 11.779 5.371 -4.105
557 2HH2 ARG 68 2HH2 ARG 68 13.510 5.365 -4.179
558 H PHE 69 H PHE 69 5.686 3.634 -6.262
559 HA PHE 69 HA PHE 69 4.941 4.729 -8.823
560 1HB PHE 69 2HB PHE 69 2.552 4.139 -8.626
561 2HB PHE 69 1HB PHE 69 3.577 2.727 -8.848
562 HD1 PHE 69 1HD PHE 69 3.970 1.175 -6.988
563 HD2 PHE 69 2HD PHE 69 1.304 4.473 -6.626
564 HE1 PHE 69 1HE PHE 69 2.971 0.144 -4.988
565 HE2 PHE 69 2HE PHE 69 0.302 3.450 -4.626
566 HZ PHE 69 HZ PHE 69 1.135 1.284 -3.805
567 H ASP 70 H ASP 70 4.260 6.761 -8.665
568 HA ASP 70 HA ASP 70 3.957 7.876 -5.977
569 1HB ASP 70 2HB ASP 70 3.979 10.083 -7.358
570 2HB ASP 70 1HB ASP 70 5.483 9.185 -7.176
571 H PHE 71 H PHE 71 2.082 8.888 -5.294
572 HA PHE 71 HA PHE 71 -0.152 9.028 -7.177
573 1HB PHE 71 2HB PHE 71 -1.623 7.790 -5.678
574 2HB PHE 71 1HB PHE 71 -0.226 6.803 -6.121
575 HD1 PHE 71 1HD PHE 71 -1.959 8.519 -3.400
576 HD2 PHE 71 2HD PHE 71 1.520 6.318 -4.496
577 HE1 PHE 71 1HE PHE 71 -1.449 8.137 -1.018
578 HE2 PHE 71 2HE PHE 71 2.030 5.934 -2.119
579 HZ PHE 71 HZ PHE 71 0.545 6.843 -0.380
580 H THR 72 H THR 72 -1.671 10.574 -6.724
581 HA THR 72 HA THR 72 -1.005 12.403 -4.519
582 HB THR 72 HB THR 72 -2.466 14.037 -5.764
583 HG1 THR 72 1HG THR 72 -2.997 13.508 -7.908
584 1HG2 THR 72 1HG2 THR 72 -0.765 14.691 -7.265
585 2HG2 THR 72 2HG2 THR 72 -0.213 13.031 -7.488
586 3HG2 THR 72 3HG2 THR 72 0.068 13.855 -5.955
587 H THR 73 H THR 73 -2.416 12.801 -2.915
588 HA THR 73 HA THR 73 -4.223 12.625 -1.552
589 HB THR 73 HB THR 73 -5.794 12.163 -4.095
590 HG1 THR 73 1HG THR 73 -4.808 14.462 -2.820
591 1HG2 THR 73 1HG2 THR 73 -7.451 11.733 -2.644
592 2HG2 THR 73 2HG2 THR 73 -7.410 13.461 -2.290
593 3HG2 THR 73 3HG2 THR 73 -6.520 12.329 -1.270
594 H THR 74 H THR 74 -5.292 11.069 -0.375
595 HA THR 74 HA THR 74 -5.711 8.425 -1.476
596 HB THR 74 HB THR 74 -3.753 7.577 -0.806
597 HG1 THR 74 1HG THR 74 -3.726 6.900 1.302
598 1HG2 THR 74 1HG2 THR 74 -3.450 10.225 0.531
599 2HG2 THR 74 2HG2 THR 74 -2.438 9.457 -0.693
600 3HG2 THR 74 3HG2 THR 74 -2.354 8.919 0.984
601 H SER 75 H SER 75 -6.318 10.880 0.765
602 HA SER 75 HA SER 75 -7.656 9.344 2.763
603 1HB SER 75 2HB SER 75 -7.930 11.324 3.856
604 2HB SER 75 1HB SER 75 -6.730 11.886 2.693
605 HG SER 75 HG SER 75 -9.227 12.724 3.011
606 H THR 76 H THR 76 -10.050 10.043 3.265
607 HA THR 76 HA THR 76 -11.589 9.734 0.769
608 HB THR 76 HB THR 76 -11.638 7.691 2.138
609 HG1 THR 76 1HG THR 76 -13.645 7.478 1.514
610 1HG2 THR 76 1HG2 THR 76 -13.116 9.268 4.233
611 2HG2 THR 76 2HG2 THR 76 -11.382 8.958 4.328
612 3HG2 THR 76 3HG2 THR 76 -12.521 7.612 4.327
613 H SER 77 H SER 77 -10.823 11.983 2.900
614 HA SER 77 HA SER 77 -11.754 13.906 3.680
615 1HB SER 77 2HB SER 77 -12.518 13.701 1.099
616 2HB SER 77 1HB SER 77 -14.101 13.737 1.875
617 HG SER 77 HG SER 77 -13.137 15.642 3.046
618 H THR 78 H THR 78 -12.266 12.903 5.698
619 HA THR 78 HA THR 78 -15.137 12.877 6.211
620 HB THR 78 HB THR 78 -13.397 10.619 7.207
621 HG1 THR 78 1HG THR 78 -15.257 9.756 5.519
622 1HG2 THR 78 1HG2 THR 78 -15.345 9.683 8.085
623 2HG2 THR 78 2HG2 THR 78 -16.394 10.680 7.079
624 3HG2 THR 78 3HG2 THR 78 -15.532 11.400 8.439
625 HA PRO 79 HA PRO 79 -12.978 15.199 9.506
626 1HB PRO 79 2HB PRO 79 -15.540 16.584 9.762
627 2HB PRO 79 1HB PRO 79 -13.953 17.241 9.353
628 1HG PRO 79 2HG PRO 79 -15.965 17.078 7.554
629 2HG PRO 79 1HG PRO 79 -14.258 16.933 7.096
630 1HD PRO 79 2HD PRO 79 -16.306 14.781 7.494
631 2HD PRO 79 1HD PRO 79 -15.064 14.935 6.231
632 H GLY 80 H GLY 80 -13.463 15.476 11.801
633 1HA GLY 80 2HA GLY 80 -15.729 14.544 13.108
634 2HA GLY 80 1HA GLY 80 -14.663 13.160 12.921
635 H SER 81 H SER 81 -12.189 14.211 13.331
636 HA SER 81 HA SER 81 -12.374 15.321 16.054
637 1HB SER 81 2HB SER 81 -10.041 14.053 16.226
638 2HB SER 81 1HB SER 81 -11.566 13.223 16.536
639 HG SER 81 HG SER 81 -10.973 13.187 13.903
640 H ARG 82 H ARG 82 -10.523 16.581 16.763
641 HA ARG 82 HA ARG 82 -9.105 17.865 14.524
642 1HB ARG 82 2HB ARG 82 -9.109 19.820 16.391
643 2HB ARG 82 1HB ARG 82 -10.320 19.675 15.127
644 1HG ARG 82 2HG ARG 82 -11.058 18.065 17.385
645 2HG ARG 82 1HG ARG 82 -10.730 19.724 17.891
646 1HD ARG 82 2HD ARG 82 -13.037 19.603 17.325
647 2HD ARG 82 1HD ARG 82 -12.227 20.490 16.035
648 HE ARG 82 HE ARG 82 -13.080 17.674 15.842
649 1HH1 ARG 82 1HH1 ARG 82 -12.402 20.776 14.405
650 2HH1 ARG 82 2HH1 ARG 82 -12.909 20.296 12.820
651 1HH2 ARG 82 1HH2 ARG 82 -13.745 17.034 13.758
652 2HH2 ARG 82 2HH2 ARG 82 -13.672 18.169 12.452
653 H SER 83 H SER 83 -8.976 16.759 17.851
654 HA SER 83 HA SER 83 -6.334 17.621 18.406
655 1HB SER 83 2HB SER 83 -6.835 15.308 19.938
656 2HB SER 83 1HB SER 83 -7.025 16.987 20.442
657 HG SER 83 HG SER 83 -9.173 16.851 19.499
658 H HIS 84 H HIS 84 -4.378 16.568 18.237
659 HA HIS 84 HA HIS 84 -4.330 13.902 17.049
660 1HB HIS 84 2HB HIS 84 -3.975 16.201 15.490
661 2HB HIS 84 1HB HIS 84 -2.353 15.567 15.750
662 HD2 HIS 84 2HD HIS 84 -2.194 12.702 15.046
663 HE1 HIS 84 1HE HIS 84 -5.189 13.221 12.100
664 HE2 HIS 84 2HE HIS 84 -3.479 11.619 13.071
665 H HIS 85 H HIS 85 -3.484 13.169 19.005
666 HA HIS 85 HA HIS 85 -1.908 12.696 20.577
667 1HB HIS 85 2HB HIS 85 -0.752 12.466 18.060
668 2HB HIS 85 1HB HIS 85 0.423 13.399 18.980
669 HD2 HIS 85 2HD HIS 85 -1.028 9.823 18.769
670 HE1 HIS 85 1HE HIS 85 1.973 9.897 21.754
671 HE2 HIS 85 2HE HIS 85 0.557 8.413 20.262
672 H HIS 86 H HIS 86 -2.420 14.456 21.950
673 HA HIS 86 HA HIS 86 -0.290 16.471 22.054
674 1HB HIS 86 2HB HIS 86 -3.025 16.992 21.451
675 2HB HIS 86 1HB HIS 86 -2.686 17.656 23.047
676 HD2 HIS 86 2HD HIS 86 -3.124 20.074 21.366
677 HE1 HIS 86 1HE HIS 86 0.939 19.986 20.185
678 HE2 HIS 86 2HE HIS 86 -1.117 21.444 20.459
679 H HIS 87 H HIS 87 -3.167 16.300 24.081
680 HA HIS 87 HA HIS 87 -1.906 14.841 26.188
681 1HB HIS 87 2HB HIS 87 -1.651 16.600 27.805
682 2HB HIS 87 1HB HIS 87 -0.764 17.061 26.357
683 HD2 HIS 87 2HD HIS 87 -3.037 18.522 24.642
684 HE1 HIS 87 1HE HIS 87 -3.708 20.783 28.157
685 HE2 HIS 87 2HE HIS 87 -3.919 20.753 25.630
686 H HIS 88 H HIS 88 -3.269 14.784 28.166
687 HA HIS 88 HA HIS 88 -5.978 15.730 27.975
688 1HB HIS 88 2HB HIS 88 -6.906 13.355 28.183
689 2HB HIS 88 1HB HIS 88 -6.357 13.858 26.588
690 HD2 HIS 88 2HD HIS 88 -4.328 12.394 25.506
691 HE1 HIS 88 1HE HIS 88 -3.768 9.867 28.855
692 HE2 HIS 88 2HE HIS 88 -3.006 10.392 26.494
693 H HIS 89 H HIS 89 -7.034 15.707 29.938
694 HA HIS 89 HA HIS 89 -6.070 14.179 32.168
695 1HB HIS 89 2HB HIS 89 -4.647 16.447 31.773
696 2HB HIS 89 1HB HIS 89 -5.952 17.073 32.776
697 HD2 HIS 89 2HD HIS 89 -2.579 15.642 33.243
698 HE1 HIS 89 1HE HIS 89 -4.739 14.582 36.727
699 HE2 HIS 89 2HE HIS 89 -2.431 14.909 35.728
Start of MODEL 7
1 1H MET 1 1HT MET 1 -18.417 -9.499 -0.589
2 2H MET 1 2HT MET 1 -17.299 -8.274 -0.256
3 3H MET 1 3HT MET 1 -16.765 -9.774 -0.825
4 HA MET 1 HA MET 1 -18.628 -8.817 -2.656
5 1HB MET 1 2HB MET 1 -17.548 -6.698 -3.309
6 2HB MET 1 1HB MET 1 -18.234 -6.613 -1.692
7 1HG MET 1 2HG MET 1 -15.636 -7.441 -1.261
8 2HG MET 1 1HG MET 1 -15.499 -6.270 -2.571
9 1HE MET 1 1HE MET 1 -14.071 -5.146 0.346
10 2HE MET 1 2HE MET 1 -14.570 -3.604 -0.350
11 3HE MET 1 3HE MET 1 -14.069 -4.927 -1.404
12 H ARG 2 H ARG 2 -15.439 -9.640 -1.619
13 HA ARG 2 HA ARG 2 -14.869 -10.702 -4.288
14 1HB ARG 2 2HB ARG 2 -12.997 -8.980 -2.659
15 2HB ARG 2 1HB ARG 2 -12.483 -9.947 -4.035
16 1HG ARG 2 2HG ARG 2 -14.239 -8.666 -5.371
17 2HG ARG 2 1HG ARG 2 -14.290 -7.555 -4.001
18 1HD ARG 2 2HD ARG 2 -11.813 -7.291 -4.232
19 2HD ARG 2 1HD ARG 2 -11.908 -8.238 -5.717
20 HE ARG 2 HE ARG 2 -13.636 -6.336 -6.290
21 1HH1 ARG 2 1HH1 ARG 2 -10.538 -6.073 -4.719
22 2HH1 ARG 2 2HH1 ARG 2 -10.230 -4.473 -5.308
23 1HH2 ARG 2 1HH2 ARG 2 -13.240 -4.230 -7.072
24 2HH2 ARG 2 2HH2 ARG 2 -11.767 -3.425 -6.647
25 H GLY 3 H GLY 3 -15.292 -12.772 -3.505
26 1HA GLY 3 2HA GLY 3 -13.665 -14.626 -2.924
27 2HA GLY 3 1HA GLY 3 -13.443 -13.747 -1.419
28 H SER 4 H SER 4 -15.387 -15.975 -3.157
29 HA SER 4 HA SER 4 -17.075 -16.313 -0.776
30 1HB SER 4 2HB SER 4 -18.372 -16.924 -3.357
31 2HB SER 4 1HB SER 4 -19.033 -16.157 -1.915
32 HG SER 4 HG SER 4 -17.240 -14.869 -3.693
33 H ASN 5 H ASN 5 -15.837 -18.069 -0.126
34 HA ASN 5 HA ASN 5 -15.155 -20.233 -0.002
35 1HB ASN 5 2HB ASN 5 -17.606 -20.629 -1.731
36 2HB ASN 5 1HB ASN 5 -16.734 -21.924 -0.917
37 1HD2 ASN 5 1HD2 ASN 5 -19.120 -22.044 -0.182
38 2HD2 ASN 5 2HD2 ASN 5 -19.464 -21.258 1.319
39 H ALA 6 H ALA 6 -13.280 -19.507 -1.305
40 HA ALA 6 HA ALA 6 -13.083 -21.142 -3.729
41 1HB ALA 6 1HB ALA 6 -13.545 -18.892 -4.520
42 2HB ALA 6 2HB ALA 6 -11.886 -19.349 -4.907
43 3HB ALA 6 3HB ALA 6 -12.209 -18.260 -3.558
44 HA PRO 7 HA PRO 7 -9.390 -22.416 -1.576
45 1HB PRO 7 2HB PRO 7 -8.242 -23.787 -3.644
46 2HB PRO 7 1HB PRO 7 -9.545 -24.437 -2.643
47 1HG PRO 7 2HG PRO 7 -9.686 -23.162 -5.347
48 2HG PRO 7 1HG PRO 7 -10.531 -24.600 -4.741
49 1HD PRO 7 2HD PRO 7 -11.745 -22.201 -4.920
50 2HD PRO 7 1HD PRO 7 -12.117 -23.349 -3.617
51 H GLN 8 H GLN 8 -7.848 -20.974 -1.170
52 HA GLN 8 HA GLN 8 -6.407 -19.775 -3.444
53 1HB GLN 8 2HB GLN 8 -7.536 -18.571 -0.987
54 2HB GLN 8 1HB GLN 8 -5.942 -18.000 -1.461
55 1HG GLN 8 2HG GLN 8 -7.181 -17.833 -3.824
56 2HG GLN 8 1HG GLN 8 -8.565 -17.609 -2.753
57 1HE2 GLN 8 1HE2 GLN 8 -7.458 -16.230 -0.679
58 2HE2 GLN 8 2HE2 GLN 8 -6.907 -14.686 -1.222
59 HA PRO 9 HA PRO 9 -2.783 -21.607 -1.677
60 1HB PRO 9 2HB PRO 9 -0.873 -20.146 -2.900
61 2HB PRO 9 1HB PRO 9 -1.854 -21.331 -3.771
62 1HG PRO 9 2HG PRO 9 -2.158 -18.355 -3.635
63 2HG PRO 9 1HG PRO 9 -2.281 -19.429 -5.042
64 1HD PRO 9 2HD PRO 9 -4.452 -18.466 -3.714
65 2HD PRO 9 1HD PRO 9 -4.443 -20.035 -4.546
66 H SER 10 H SER 10 -0.775 -21.008 -0.482
67 HA SER 10 HA SER 10 -1.357 -19.292 1.671
68 1HB SER 10 2HB SER 10 1.393 -20.252 0.859
69 2HB SER 10 1HB SER 10 0.850 -19.799 2.474
70 HG SER 10 HG SER 10 0.471 -21.863 2.644
71 H HIS 11 H HIS 11 -1.144 -17.165 1.902
72 HA HIS 11 HA HIS 11 -0.160 -15.556 -0.246
73 1HB HIS 11 2HB HIS 11 -0.900 -14.651 2.542
74 2HB HIS 11 1HB HIS 11 -0.835 -13.663 1.086
75 HD2 HIS 11 2HD HIS 11 -3.427 -15.174 3.177
76 HE1 HIS 11 1HE HIS 11 -4.972 -15.391 -0.757
77 HE2 HIS 11 2HE HIS 11 -5.483 -15.743 1.701
78 H ILE 12 H ILE 12 1.117 -13.450 0.899
79 HA ILE 12 HA ILE 12 3.769 -14.513 1.278
80 HB ILE 12 HB ILE 12 3.384 -12.500 -0.098
81 1HG1 ILE 12 2HG1 ILE 12 4.991 -11.145 1.848
82 2HG1 ILE 12 1HG1 ILE 12 5.365 -12.866 1.910
83 1HG2 ILE 12 1HG2 ILE 12 2.792 -10.385 0.896
84 2HG2 ILE 12 2HG2 ILE 12 2.730 -11.116 2.500
85 3HG2 ILE 12 3HG2 ILE 12 1.545 -11.573 1.277
86 1HD1 ILE 12 1HD1 ILE 12 6.744 -11.423 0.346
87 2HD1 ILE 12 2HD1 ILE 12 5.308 -11.353 -0.675
88 3HD1 ILE 12 3HD1 ILE 12 6.063 -12.907 -0.321
89 H SER 13 H SER 13 5.162 -13.971 3.060
90 HA SER 13 HA SER 13 4.114 -14.483 5.577
91 1HB SER 13 2HB SER 13 6.458 -14.805 5.238
92 2HB SER 13 1HB SER 13 6.684 -13.126 4.747
93 HG SER 13 HG SER 13 6.260 -14.192 7.313
94 H LYS 14 H LYS 14 4.989 -11.381 4.095
95 HA LYS 14 HA LYS 14 2.902 -9.973 5.370
96 1HB LYS 14 2HB LYS 14 4.252 -8.541 6.863
97 2HB LYS 14 1HB LYS 14 4.246 -10.222 7.374
98 1HG LYS 14 2HG LYS 14 6.454 -10.156 7.434
99 2HG LYS 14 1HG LYS 14 6.459 -9.949 5.682
100 1HD LYS 14 2HD LYS 14 7.072 -7.805 5.841
101 2HD LYS 14 1HD LYS 14 5.872 -7.475 7.093
102 1HE LYS 14 2HE LYS 14 8.510 -8.848 7.585
103 2HE LYS 14 1HE LYS 14 8.232 -7.122 7.816
104 1HZ LYS 14 1HZ LYS 14 7.671 -7.702 9.879
105 2HZ LYS 14 2HZ LYS 14 7.483 -9.337 9.489
106 3HZ LYS 14 3HZ LYS 14 6.215 -8.251 9.215
107 H TYR 15 H TYR 15 2.633 -7.936 4.529
108 HA TYR 15 HA TYR 15 4.496 -7.171 2.388
109 1HB TYR 15 2HB TYR 15 1.869 -7.622 2.141
110 2HB TYR 15 1HB TYR 15 1.797 -5.933 2.630
111 HD1 TYR 15 1HD TYR 15 1.764 -7.980 -0.119
112 HD2 TYR 15 2HD TYR 15 3.689 -4.464 1.303
113 HE1 TYR 15 1HE TYR 15 2.208 -7.294 -2.435
114 HE2 TYR 15 2HE TYR 15 4.139 -3.760 -1.009
115 HH TYR 15 HH TYR 15 4.017 -5.756 -3.584
116 H ILE 16 H ILE 16 5.295 -5.062 2.274
117 HA ILE 16 HA ILE 16 4.779 -3.407 4.657
118 HB ILE 16 HB ILE 16 7.320 -3.749 3.075
119 1HG1 ILE 16 2HG1 ILE 16 7.013 -5.372 4.850
120 2HG1 ILE 16 1HG1 ILE 16 8.256 -4.224 5.335
121 1HG2 ILE 16 1HG2 ILE 16 6.706 -1.636 5.141
122 2HG2 ILE 16 2HG2 ILE 16 6.976 -1.362 3.420
123 3HG2 ILE 16 3HG2 ILE 16 8.291 -1.953 4.436
124 1HD1 ILE 16 1HD1 ILE 16 6.514 -3.018 6.651
125 2HD1 ILE 16 2HD1 ILE 16 6.871 -4.650 7.216
126 3HD1 ILE 16 3HD1 ILE 16 5.407 -4.341 6.282
127 H LEU 17 H LEU 17 3.701 -1.626 4.251
128 HA LEU 17 HA LEU 17 3.828 -0.460 1.556
129 1HB LEU 17 2HB LEU 17 1.591 -1.098 2.309
130 2HB LEU 17 1HB LEU 17 1.782 -0.130 3.755
131 HG LEU 17 HG LEU 17 1.805 1.911 2.424
132 1HD1 LEU 17 1HD1 LEU 17 0.878 0.997 -0.080
133 2HD1 LEU 17 2HD1 LEU 17 2.363 0.120 0.287
134 3HD1 LEU 17 3HD1 LEU 17 2.358 1.884 0.283
135 1HD2 LEU 17 1HD2 LEU 17 -0.516 0.134 1.691
136 2HD2 LEU 17 2HD2 LEU 17 -0.509 1.897 1.720
137 3HD2 LEU 17 3HD2 LEU 17 -0.332 0.989 3.222
138 H ARG 18 H ARG 18 5.180 1.203 1.384
139 HA ARG 18 HA ARG 18 5.491 2.965 3.715
140 1HB ARG 18 2HB ARG 18 7.745 3.453 2.292
141 2HB ARG 18 1HB ARG 18 7.637 2.293 3.608
142 1HG ARG 18 2HG ARG 18 6.833 0.799 1.469
143 2HG ARG 18 1HG ARG 18 8.043 1.863 0.751
144 1HD ARG 18 2HD ARG 18 9.205 1.078 3.127
145 2HD ARG 18 1HD ARG 18 8.371 -0.378 2.581
146 HE ARG 18 HE ARG 18 9.889 0.861 0.499
147 1HH1 ARG 18 1HH1 ARG 18 10.100 -1.249 3.266
148 2HH1 ARG 18 2HH1 ARG 18 11.513 -2.069 2.692
149 1HH2 ARG 18 1HH2 ARG 18 11.749 -0.219 -0.263
150 2HH2 ARG 18 2HH2 ARG 18 12.449 -1.485 0.690
151 H TRP 19 H TRP 19 5.000 5.056 3.477
152 HA TRP 19 HA TRP 19 5.035 6.216 0.805
153 1HB TRP 19 2HB TRP 19 2.845 7.269 1.168
154 2HB TRP 19 1HB TRP 19 2.734 5.519 1.138
155 HD1 TRP 19 HD TRP 19 2.177 8.505 3.356
156 HE1 TRP 19 1HE TRP 19 1.066 7.765 5.557
157 HE3 TRP 19 3HE TRP 19 2.629 3.455 2.818
158 HZ2 TRP 19 2HZ TRP 19 0.464 5.350 6.889
159 HZ3 TRP 19 3HZ TRP 19 1.763 1.994 4.598
160 HH2 TRP 19 HH TRP 19 0.704 2.923 6.592
161 H ARG 20 H ARG 20 5.317 8.391 0.741
162 HA ARG 20 HA ARG 20 5.403 10.012 3.092
163 1HB ARG 20 2HB ARG 20 7.509 9.621 3.720
164 2HB ARG 20 1HB ARG 20 7.783 8.588 2.327
165 1HG ARG 20 2HG ARG 20 7.866 11.274 1.433
166 2HG ARG 20 1HG ARG 20 8.857 11.147 2.886
167 1HD ARG 20 2HD ARG 20 10.369 9.795 1.900
168 2HD ARG 20 1HD ARG 20 9.156 8.972 0.925
169 HE ARG 20 HE ARG 20 9.180 11.218 -0.351
170 1HH1 ARG 20 1HH1 ARG 20 11.931 9.625 1.073
171 2HH1 ARG 20 2HH1 ARG 20 13.060 10.270 -0.070
172 1HH2 ARG 20 1HH2 ARG 20 10.661 12.075 -1.863
173 2HH2 ARG 20 2HH2 ARG 20 12.339 11.662 -1.738
174 HA PRO 21 HA PRO 21 4.632 13.201 0.159
175 1HB PRO 21 2HB PRO 21 6.529 14.920 1.667
176 2HB PRO 21 1HB PRO 21 4.828 15.194 1.275
177 1HG PRO 21 2HG PRO 21 5.543 14.538 3.751
178 2HG PRO 21 1HG PRO 21 4.074 13.861 3.024
179 1HD PRO 21 2HD PRO 21 6.762 12.597 3.399
180 2HD PRO 21 1HD PRO 21 5.144 11.904 3.635
181 H LYS 22 H LYS 22 5.495 12.832 -1.785
182 HA LYS 22 HA LYS 22 8.236 12.503 -2.344
183 1HB LYS 22 2HB LYS 22 5.939 12.002 -3.690
184 2HB LYS 22 1HB LYS 22 6.488 13.441 -4.536
185 1HG LYS 22 2HG LYS 22 8.773 12.028 -4.504
186 2HG LYS 22 1HG LYS 22 7.593 10.714 -4.516
187 1HD LYS 22 2HD LYS 22 7.419 11.001 -6.718
188 2HD LYS 22 1HD LYS 22 6.652 12.556 -6.390
189 1HE LYS 22 2HE LYS 22 8.900 13.599 -6.349
190 2HE LYS 22 1HE LYS 22 9.595 12.045 -6.806
191 1HZ LYS 22 1HZ LYS 22 7.604 13.551 -8.416
192 2HZ LYS 22 2HZ LYS 22 8.369 12.110 -8.862
193 3HZ LYS 22 3HZ LYS 22 9.270 13.533 -8.709
194 H ASN 23 H ASN 23 6.150 15.318 -2.318
195 HA ASN 23 HA ASN 23 8.218 16.989 -3.515
196 1HB ASN 23 2HB ASN 23 5.458 17.077 -3.595
197 2HB ASN 23 1HB ASN 23 5.860 18.364 -2.463
198 1HD2 ASN 23 1HD2 ASN 23 5.983 17.283 -5.730
199 2HD2 ASN 23 2HD2 ASN 23 6.584 18.750 -6.418
200 H SER 24 H SER 24 6.615 16.491 -0.414
201 HA SER 24 HA SER 24 8.126 18.642 0.821
202 1HB SER 24 2HB SER 24 5.643 17.678 1.323
203 2HB SER 24 1HB SER 24 6.574 16.802 2.538
204 HG SER 24 HG SER 24 5.956 18.738 3.432
205 H VAL 25 H VAL 25 8.492 17.517 3.374
206 HA VAL 25 HA VAL 25 11.042 16.388 3.117
207 HB VAL 25 HB VAL 25 10.006 17.602 5.132
208 1HG1 VAL 25 1HG1 VAL 25 9.323 14.849 6.090
209 2HG1 VAL 25 2HG1 VAL 25 8.133 15.827 5.234
210 3HG1 VAL 25 3HG1 VAL 25 8.831 16.412 6.743
211 1HG2 VAL 25 1HG2 VAL 25 11.414 16.090 6.721
212 2HG2 VAL 25 2HG2 VAL 25 12.206 16.980 5.421
213 3HG2 VAL 25 3HG2 VAL 25 11.857 15.262 5.228
214 H GLY 26 H GLY 26 11.699 14.265 4.129
215 1HA GLY 26 2HA GLY 26 10.331 12.147 2.769
216 2HA GLY 26 1HA GLY 26 11.748 11.984 3.795
217 H ARG 27 H ARG 27 11.503 11.052 5.721
218 HA ARG 27 HA ARG 27 10.547 10.024 7.506
219 1HB ARG 27 2HB ARG 27 9.309 12.563 7.283
220 2HB ARG 27 1HB ARG 27 8.063 11.411 7.736
221 1HG ARG 27 2HG ARG 27 9.228 10.786 9.700
222 2HG ARG 27 1HG ARG 27 10.687 11.637 9.184
223 1HD ARG 27 2HD ARG 27 9.715 13.054 10.772
224 2HD ARG 27 1HD ARG 27 9.253 13.750 9.220
225 HE ARG 27 HE ARG 27 7.392 11.952 10.601
226 1HH1 ARG 27 1HH1 ARG 27 8.212 15.125 9.421
227 2HH1 ARG 27 2HH1 ARG 27 6.618 15.763 9.646
228 1HH2 ARG 27 1HH2 ARG 27 5.289 12.783 10.902
229 2HH2 ARG 27 2HH2 ARG 27 4.957 14.432 10.490
230 H TRP 28 H TRP 28 10.272 8.358 5.717
231 HA TRP 28 HA TRP 28 7.822 7.795 4.507
232 1HB TRP 28 2HB TRP 28 10.027 5.938 5.428
233 2HB TRP 28 1HB TRP 28 8.657 5.410 4.460
234 HD1 TRP 28 HD TRP 28 11.760 7.688 4.223
235 HE1 TRP 28 1HE TRP 28 12.388 7.927 1.737
236 HE3 TRP 28 3HE TRP 28 7.792 5.227 2.143
237 HZ2 TRP 28 2HZ TRP 28 11.338 7.172 -0.773
238 HZ3 TRP 28 3HZ TRP 28 7.680 5.029 -0.308
239 HH2 TRP 28 HH TRP 28 9.416 5.983 -1.733
240 H LYS 29 H LYS 29 6.464 5.811 5.038
241 HA LYS 29 HA LYS 29 6.137 5.353 7.918
242 1HB LYS 29 2HB LYS 29 3.605 5.561 6.410
243 2HB LYS 29 1HB LYS 29 3.983 6.075 8.048
244 1HG LYS 29 2HG LYS 29 5.421 7.806 6.409
245 2HG LYS 29 1HG LYS 29 3.853 7.620 5.623
246 1HD LYS 29 2HD LYS 29 3.480 9.388 7.077
247 2HD LYS 29 1HD LYS 29 2.895 8.004 8.004
248 1HE LYS 29 2HE LYS 29 5.121 7.889 9.112
249 2HE LYS 29 1HE LYS 29 5.569 9.371 8.271
250 1HZ LYS 29 1HZ LYS 29 4.782 9.766 10.545
251 2HZ LYS 29 2HZ LYS 29 3.274 9.117 10.138
252 3HZ LYS 29 3HZ LYS 29 3.811 10.538 9.394
253 H GLU 30 H GLU 30 5.704 3.212 8.371
254 HA GLU 30 HA GLU 30 5.179 1.514 6.022
255 1HB GLU 30 2HB GLU 30 6.939 1.034 8.411
256 2HB GLU 30 1HB GLU 30 6.398 -0.278 7.373
257 1HG GLU 30 2HG GLU 30 7.749 0.325 5.666
258 2HG GLU 30 1HG GLU 30 7.632 2.046 6.034
259 H ALA 31 H ALA 31 3.653 0.026 6.071
260 HA ALA 31 HA ALA 31 2.306 -0.632 8.589
261 1HB ALA 31 1HB ALA 31 1.171 1.237 7.110
262 2HB ALA 31 2HB ALA 31 0.205 -0.017 7.890
263 3HB ALA 31 3HB ALA 31 0.614 -0.154 6.180
264 H THR 32 H THR 32 2.302 -2.796 8.764
265 HA THR 32 HA THR 32 2.840 -4.411 6.430
266 HB THR 32 HB THR 32 2.438 -5.289 9.292
267 HG1 THR 32 1HG THR 32 4.952 -5.527 8.474
268 1HG2 THR 32 1HG2 THR 32 3.352 -6.727 6.809
269 2HG2 THR 32 2HG2 THR 32 2.080 -7.191 7.941
270 3HG2 THR 32 3HG2 THR 32 3.774 -7.293 8.425
271 H ILE 33 H ILE 33 1.501 -5.634 5.328
272 HA ILE 33 HA ILE 33 -1.157 -6.236 6.423
273 HB ILE 33 HB ILE 33 -1.013 -5.783 3.499
274 1HG1 ILE 33 2HG1 ILE 33 -1.714 -3.279 4.652
275 2HG1 ILE 33 1HG1 ILE 33 -0.150 -3.745 5.314
276 1HG2 ILE 33 1HG2 ILE 33 -3.019 -6.507 4.910
277 2HG2 ILE 33 2HG2 ILE 33 -3.270 -5.224 3.728
278 3HG2 ILE 33 3HG2 ILE 33 -3.091 -4.825 5.437
279 1HD1 ILE 33 1HD1 ILE 33 0.852 -3.787 3.206
280 2HD1 ILE 33 2HD1 ILE 33 -0.175 -2.354 3.184
281 3HD1 ILE 33 3HD1 ILE 33 -0.700 -3.827 2.371
282 HA PRO 34 HA PRO 34 0.630 -10.236 5.275
283 1HB PRO 34 2HB PRO 34 -1.945 -11.177 6.387
284 2HB PRO 34 1HB PRO 34 -0.300 -11.655 6.808
285 1HG PRO 34 2HG PRO 34 -1.738 -10.123 8.447
286 2HG PRO 34 1HG PRO 34 0.001 -9.843 8.226
287 1HD PRO 34 2HD PRO 34 -2.323 -8.362 7.049
288 2HD PRO 34 1HD PRO 34 -0.800 -7.727 7.709
289 H GLY 35 H GLY 35 0.305 -9.669 3.001
290 1HA GLY 35 2HA GLY 35 -0.536 -10.121 0.917
291 2HA GLY 35 1HA GLY 35 -1.347 -11.491 1.659
292 H HIS 36 H HIS 36 -2.018 -8.304 2.829
293 HA HIS 36 HA HIS 36 -3.884 -7.011 2.814
294 1HB HIS 36 2HB HIS 36 -3.866 -8.097 0.021
295 2HB HIS 36 1HB HIS 36 -5.237 -7.142 0.572
296 HD2 HIS 36 2HD HIS 36 -1.852 -5.937 1.915
297 HE1 HIS 36 1HE HIS 36 -2.927 -3.461 -1.344
298 HE2 HIS 36 2HE HIS 36 -1.424 -3.694 0.685
299 H LEU 37 H LEU 37 -5.279 -7.684 4.303
300 HA LEU 37 HA LEU 37 -6.688 -10.176 4.088
301 1HB LEU 37 2HB LEU 37 -7.979 -8.906 6.104
302 2HB LEU 37 1HB LEU 37 -6.529 -9.860 6.302
303 HG LEU 37 HG LEU 37 -6.543 -7.668 7.507
304 1HD1 LEU 37 1HD1 LEU 37 -4.238 -7.098 6.025
305 2HD1 LEU 37 2HD1 LEU 37 -4.463 -8.845 5.937
306 3HD1 LEU 37 3HD1 LEU 37 -4.370 -8.046 7.506
307 1HD2 LEU 37 1HD2 LEU 37 -7.268 -6.682 4.949
308 2HD2 LEU 37 2HD2 LEU 37 -5.705 -5.990 5.383
309 3HD2 LEU 37 3HD2 LEU 37 -7.085 -5.797 6.462
310 H ASN 38 H ASN 38 -7.352 -6.836 3.407
311 HA ASN 38 HA ASN 38 -9.504 -7.362 1.703
312 1HB ASN 38 2HB ASN 38 -11.416 -6.608 2.953
313 2HB ASN 38 1HB ASN 38 -10.643 -7.886 3.883
314 1HD2 ASN 38 1HD2 ASN 38 -11.944 -4.848 4.021
315 2HD2 ASN 38 2HD2 ASN 38 -11.254 -4.317 5.513
316 H SER 39 H SER 39 -10.928 -4.829 2.492
317 HA SER 39 HA SER 39 -9.204 -3.040 1.053
318 1HB SER 39 2HB SER 39 -12.006 -3.099 1.883
319 2HB SER 39 1HB SER 39 -11.284 -1.498 2.039
320 HG SER 39 HG SER 39 -12.190 -2.555 -0.139
321 H TYR 40 H TYR 40 -7.478 -2.274 2.092
322 HA TYR 40 HA TYR 40 -7.762 -1.396 4.878
323 1HB TYR 40 2HB TYR 40 -5.946 -3.042 4.200
324 2HB TYR 40 1HB TYR 40 -5.186 -1.708 3.338
325 HD1 TYR 40 1HD TYR 40 -6.053 -3.041 6.651
326 HD2 TYR 40 2HD TYR 40 -4.066 0.065 4.529
327 HE1 TYR 40 1HE TYR 40 -4.938 -2.343 8.728
328 HE2 TYR 40 2HE TYR 40 -2.946 0.772 6.601
329 HH TYR 40 HH TYR 40 -3.379 -1.018 9.627
330 H THR 41 H THR 41 -8.162 0.684 5.163
331 HA THR 41 HA THR 41 -7.207 2.616 3.170
332 HB THR 41 HB THR 41 -9.678 2.505 3.925
333 HG1 THR 41 1HG THR 41 -9.812 4.758 3.656
334 1HG2 THR 41 1HG2 THR 41 -9.335 4.429 6.013
335 2HG2 THR 41 2HG2 THR 41 -8.452 2.964 6.436
336 3HG2 THR 41 3HG2 THR 41 -10.175 2.879 6.066
337 H ILE 42 H ILE 42 -6.034 4.459 3.782
338 HA ILE 42 HA ILE 42 -4.716 4.209 6.401
339 HB ILE 42 HB ILE 42 -3.727 5.695 3.963
340 1HG1 ILE 42 2HG1 ILE 42 -2.629 3.115 5.074
341 2HG1 ILE 42 1HG1 ILE 42 -3.863 3.140 3.819
342 1HG2 ILE 42 1HG2 ILE 42 -1.557 5.615 5.260
343 2HG2 ILE 42 2HG2 ILE 42 -2.516 5.129 6.658
344 3HG2 ILE 42 3HG2 ILE 42 -2.800 6.693 5.895
345 1HD1 ILE 42 1HD1 ILE 42 -2.186 4.681 2.574
346 2HD1 ILE 42 2HD1 ILE 42 -1.929 2.937 2.599
347 3HD1 ILE 42 3HD1 ILE 42 -1.008 3.979 3.683
348 H LYS 43 H LYS 43 -5.448 5.547 7.875
349 HA LYS 43 HA LYS 43 -6.656 7.279 8.798
350 1HB LYS 43 2HB LYS 43 -4.611 8.926 7.325
351 2HB LYS 43 1HB LYS 43 -5.322 9.238 8.902
352 1HG LYS 43 2HG LYS 43 -3.477 6.947 8.252
353 2HG LYS 43 1HG LYS 43 -3.005 8.445 9.055
354 1HD LYS 43 2HD LYS 43 -3.404 7.283 10.942
355 2HD LYS 43 1HD LYS 43 -5.094 7.658 10.602
356 1HE LYS 43 2HE LYS 43 -5.240 5.513 9.333
357 2HE LYS 43 1HE LYS 43 -3.606 5.137 9.883
358 1HZ LYS 43 1HZ LYS 43 -4.437 5.320 12.185
359 2HZ LYS 43 2HZ LYS 43 -5.178 4.074 11.315
360 3HZ LYS 43 3HZ LYS 43 -6.006 5.523 11.586
361 H GLY 44 H GLY 44 -6.158 9.991 7.131
362 1HA GLY 44 2HA GLY 44 -8.509 9.608 5.387
363 2HA GLY 44 1HA GLY 44 -8.386 10.990 6.464
364 H LEU 45 H LEU 45 -5.707 11.665 6.103
365 HA LEU 45 HA LEU 45 -4.420 13.012 4.798
366 1HB LEU 45 2HB LEU 45 -5.092 11.602 2.292
367 2HB LEU 45 1HB LEU 45 -3.524 11.994 2.980
368 HG LEU 45 HG LEU 45 -5.255 9.762 4.032
369 1HD1 LEU 45 1HD1 LEU 45 -3.876 8.234 2.748
370 2HD1 LEU 45 2HD1 LEU 45 -3.003 9.591 2.036
371 3HD1 LEU 45 3HD1 LEU 45 -4.713 9.355 1.675
372 1HD2 LEU 45 1HD2 LEU 45 -3.114 10.991 5.170
373 2HD2 LEU 45 2HD2 LEU 45 -2.334 9.682 4.281
374 3HD2 LEU 45 3HD2 LEU 45 -3.588 9.318 5.466
375 H LYS 46 H LYS 46 -4.509 14.153 2.388
376 HA LYS 46 HA LYS 46 -7.156 14.923 1.626
377 1HB LYS 46 2HB LYS 46 -7.409 16.867 2.703
378 2HB LYS 46 1HB LYS 46 -6.174 16.267 3.790
379 1HG LYS 46 2HG LYS 46 -4.896 17.499 1.567
380 2HG LYS 46 1HG LYS 46 -6.134 18.591 2.186
381 1HD LYS 46 2HD LYS 46 -5.065 17.845 4.506
382 2HD LYS 46 1HD LYS 46 -3.656 17.588 3.476
383 1HE LYS 46 2HE LYS 46 -4.705 20.058 2.700
384 2HE LYS 46 1HE LYS 46 -4.788 20.049 4.461
385 1HZ LYS 46 1HZ LYS 46 -2.420 19.830 2.720
386 2HZ LYS 46 2HZ LYS 46 -2.375 19.220 4.298
387 3HZ LYS 46 3HZ LYS 46 -2.685 20.862 4.035
388 HA PRO 47 HA PRO 47 -5.167 15.597 -2.255
389 1HB PRO 47 2HB PRO 47 -7.160 17.760 -2.657
390 2HB PRO 47 1HB PRO 47 -6.822 16.343 -3.654
391 1HG PRO 47 2HG PRO 47 -9.020 16.466 -2.147
392 2HG PRO 47 1HG PRO 47 -8.128 14.945 -2.347
393 1HD PRO 47 2HD PRO 47 -8.167 16.833 -0.028
394 2HD PRO 47 1HD PRO 47 -8.114 15.058 -0.038
395 H GLY 48 H GLY 48 -3.599 16.912 -3.082
396 1HA GLY 48 2HA GLY 48 -2.914 19.301 -3.425
397 2HA GLY 48 1HA GLY 48 -3.194 19.494 -1.701
398 H VAL 49 H VAL 49 -2.061 16.842 -1.098
399 HA VAL 49 HA VAL 49 0.759 17.631 -1.166
400 HB VAL 49 HB VAL 49 -0.291 15.264 0.325
401 1HG1 VAL 49 1HG1 VAL 49 1.614 16.768 1.778
402 2HG1 VAL 49 2HG1 VAL 49 2.201 16.596 0.124
403 3HG1 VAL 49 3HG1 VAL 49 1.792 15.158 1.068
404 1HG2 VAL 49 1HG2 VAL 49 -1.507 16.420 1.757
405 2HG2 VAL 49 2HG2 VAL 49 -1.316 17.834 0.714
406 3HG2 VAL 49 3HG2 VAL 49 -0.183 17.556 2.037
407 H VAL 50 H VAL 50 2.307 16.487 -2.222
408 HA VAL 50 HA VAL 50 1.420 14.282 -3.916
409 HB VAL 50 HB VAL 50 4.087 15.706 -3.813
410 1HG1 VAL 50 1HG1 VAL 50 4.774 14.451 -5.675
411 2HG1 VAL 50 2HG1 VAL 50 3.146 13.850 -5.982
412 3HG1 VAL 50 3HG1 VAL 50 4.051 13.267 -4.585
413 1HG2 VAL 50 1HG2 VAL 50 3.194 17.248 -5.142
414 2HG2 VAL 50 2HG2 VAL 50 1.620 16.481 -4.937
415 3HG2 VAL 50 3HG2 VAL 50 2.664 16.005 -6.276
416 H TYR 51 H TYR 51 1.599 12.265 -3.222
417 HA TYR 51 HA TYR 51 3.549 11.671 -1.117
418 1HB TYR 51 2HB TYR 51 0.806 10.882 -1.580
419 2HB TYR 51 1HB TYR 51 1.833 9.467 -1.439
420 HD1 TYR 51 1HD TYR 51 3.433 11.794 0.589
421 HD2 TYR 51 2HD TYR 51 -0.134 9.468 0.439
422 HE1 TYR 51 1HE TYR 51 3.231 11.953 3.018
423 HE2 TYR 51 2HE TYR 51 -0.336 9.624 2.883
424 HH TYR 51 HH TYR 51 0.427 11.125 4.700
425 H GLU 52 H GLU 52 4.439 9.479 -1.109
426 HA GLU 52 HA GLU 52 4.958 8.458 -3.823
427 1HB GLU 52 2HB GLU 52 6.926 9.662 -2.832
428 2HB GLU 52 1HB GLU 52 6.922 8.496 -1.517
429 1HG GLU 52 2HG GLU 52 8.573 7.751 -2.989
430 2HG GLU 52 1HG GLU 52 7.185 6.709 -3.297
431 H GLY 53 H GLY 53 4.488 6.327 -4.055
432 1HA GLY 53 2HA GLY 53 3.950 4.829 -1.566
433 2HA GLY 53 1HA GLY 53 3.054 4.605 -3.057
434 H GLN 54 H GLN 54 4.954 2.974 -1.181
435 HA GLN 54 HA GLN 54 6.263 1.600 -3.415
436 1HB GLN 54 2HB GLN 54 7.518 2.483 -0.825
437 2HB GLN 54 1HB GLN 54 8.148 1.100 -1.709
438 1HG GLN 54 2HG GLN 54 7.747 3.613 -3.222
439 2HG GLN 54 1HG GLN 54 9.067 3.564 -2.054
440 1HE2 GLN 54 1HE2 GLN 54 9.457 3.867 -4.794
441 2HE2 GLN 54 2HE2 GLN 54 10.269 2.467 -5.399
442 H LEU 55 H LEU 55 5.304 -0.326 -3.499
443 HA LEU 55 HA LEU 55 4.482 -1.570 -0.971
444 1HB LEU 55 2HB LEU 55 3.450 -1.704 -3.768
445 2HB LEU 55 1HB LEU 55 3.234 -3.102 -2.734
446 HG LEU 55 HG LEU 55 2.305 -0.345 -1.945
447 1HD1 LEU 55 1HD1 LEU 55 0.015 -1.424 -2.549
448 2HD1 LEU 55 2HD1 LEU 55 0.985 -2.431 -3.624
449 3HD1 LEU 55 3HD1 LEU 55 0.995 -0.677 -3.811
450 1HD2 LEU 55 1HD2 LEU 55 2.511 -1.813 -0.072
451 2HD2 LEU 55 2HD2 LEU 55 1.713 -3.124 -0.941
452 3HD2 LEU 55 3HD2 LEU 55 0.798 -1.693 -0.472
453 H ILE 56 H ILE 56 6.079 -2.808 -0.239
454 HA ILE 56 HA ILE 56 7.380 -4.656 -2.128
455 HB ILE 56 HB ILE 56 8.525 -3.511 0.422
456 1HG1 ILE 56 2HG1 ILE 56 10.230 -2.658 -1.407
457 2HG1 ILE 56 1HG1 ILE 56 8.844 -2.841 -2.479
458 1HG2 ILE 56 1HG2 ILE 56 9.332 -5.750 0.100
459 2HG2 ILE 56 2HG2 ILE 56 10.619 -4.623 -0.327
460 3HG2 ILE 56 3HG2 ILE 56 9.691 -5.424 -1.596
461 1HD1 ILE 56 1HD1 ILE 56 8.265 -1.403 0.000
462 2HD1 ILE 56 2HD1 ILE 56 7.833 -1.024 -1.668
463 3HD1 ILE 56 3HD1 ILE 56 9.434 -0.610 -1.055
464 H SER 57 H SER 57 6.666 -6.652 -1.876
465 HA SER 57 HA SER 57 5.550 -7.534 0.655
466 1HB SER 57 2HB SER 57 4.629 -7.981 -1.761
467 2HB SER 57 1HB SER 57 5.808 -9.291 -1.758
468 HG SER 57 HG SER 57 3.978 -10.167 -0.940
469 H ILE 58 H ILE 58 6.833 -8.412 2.129
470 HA ILE 58 HA ILE 58 9.316 -9.703 1.258
471 HB ILE 58 HB ILE 58 8.494 -8.617 3.950
472 1HG1 ILE 58 2HG1 ILE 58 10.987 -7.740 2.658
473 2HG1 ILE 58 1HG1 ILE 58 9.527 -7.319 1.768
474 1HG2 ILE 58 1HG2 ILE 58 10.306 -10.722 3.401
475 2HG2 ILE 58 2HG2 ILE 58 10.000 -9.914 4.939
476 3HG2 ILE 58 3HG2 ILE 58 11.253 -9.305 3.858
477 1HD1 ILE 58 1HD1 ILE 58 10.447 -5.635 3.450
478 2HD1 ILE 58 2HD1 ILE 58 9.802 -6.714 4.687
479 3HD1 ILE 58 3HD1 ILE 58 8.720 -5.988 3.499
480 H GLN 59 H GLN 59 9.439 -11.816 1.221
481 HA GLN 59 HA GLN 59 7.385 -13.471 2.372
482 1HB GLN 59 2HB GLN 59 9.429 -13.745 0.362
483 2HB GLN 59 1HB GLN 59 9.532 -15.084 1.498
484 1HG GLN 59 2HG GLN 59 6.975 -14.265 0.147
485 2HG GLN 59 1HG GLN 59 8.087 -15.460 -0.519
486 1HE2 GLN 59 1HE2 GLN 59 5.889 -14.731 2.093
487 2HE2 GLN 59 2HE2 GLN 59 5.681 -16.359 2.635
488 H GLN 60 H GLN 60 8.493 -15.661 3.351
489 HA GLN 60 HA GLN 60 9.369 -14.867 5.926
490 1HB GLN 60 2HB GLN 60 8.384 -17.224 4.704
491 2HB GLN 60 1HB GLN 60 9.914 -17.638 5.467
492 1HG GLN 60 2HG GLN 60 9.054 -16.573 7.561
493 2HG GLN 60 1HG GLN 60 7.487 -16.432 6.766
494 1HE2 GLN 60 1HE2 GLN 60 6.168 -17.914 7.514
495 2HE2 GLN 60 2HE2 GLN 60 6.557 -19.568 7.825
496 H TYR 61 H TYR 61 11.064 -15.937 3.048
497 HA TYR 61 HA TYR 61 13.575 -16.020 4.567
498 1HB TYR 61 2HB TYR 61 14.444 -16.942 2.293
499 2HB TYR 61 1HB TYR 61 13.488 -17.983 3.343
500 HD1 TYR 61 1HD TYR 61 11.302 -18.727 2.691
501 HD2 TYR 61 2HD TYR 61 13.468 -16.006 0.242
502 HE1 TYR 61 1HE TYR 61 9.720 -19.132 0.853
503 HE2 TYR 61 2HE TYR 61 11.891 -16.401 -1.602
504 HH TYR 61 HH TYR 61 9.044 -18.455 -1.177
505 H GLY 62 H GLY 62 11.855 -13.759 2.962
506 1HA GLY 62 2HA GLY 62 13.446 -11.678 2.932
507 2HA GLY 62 1HA GLY 62 14.164 -12.566 1.599
508 H HIS 63 H HIS 63 13.293 -10.088 1.092
509 HA HIS 63 HA HIS 63 10.574 -10.012 0.189
510 1HB HIS 63 2HB HIS 63 11.406 -7.863 -0.952
511 2HB HIS 63 1HB HIS 63 11.443 -7.920 0.807
512 HD2 HIS 63 2HD HIS 63 14.077 -8.645 -2.058
513 HE1 HIS 63 1HE HIS 63 15.950 -6.770 1.241
514 HE2 HIS 63 2HE HIS 63 16.245 -7.544 -1.155
515 H GLN 64 H GLN 64 9.890 -9.717 -2.019
516 HA GLN 64 HA GLN 64 11.710 -10.475 -4.138
517 1HB GLN 64 2HB GLN 64 9.502 -12.170 -4.585
518 2HB GLN 64 1HB GLN 64 11.166 -12.631 -4.257
519 1HG GLN 64 2HG GLN 64 10.011 -11.999 -1.774
520 2HG GLN 64 1HG GLN 64 8.835 -12.982 -2.645
521 1HE2 GLN 64 1HE2 GLN 64 11.974 -12.882 -1.189
522 2HE2 GLN 64 2HE2 GLN 64 12.289 -14.579 -1.254
523 H GLU 65 H GLU 65 8.615 -9.346 -3.034
524 HA GLU 65 HA GLU 65 7.912 -8.509 -5.767
525 1HB GLU 65 2HB GLU 65 6.383 -9.712 -3.751
526 2HB GLU 65 1HB GLU 65 5.851 -8.038 -3.789
527 1HG GLU 65 2HG GLU 65 6.107 -9.228 -6.437
528 2HG GLU 65 1HG GLU 65 4.935 -10.043 -5.403
529 H VAL 66 H VAL 66 8.310 -6.453 -6.277
530 HA VAL 66 HA VAL 66 7.955 -4.402 -4.210
531 HB VAL 66 HB VAL 66 10.228 -4.391 -4.094
532 1HG1 VAL 66 1HG1 VAL 66 10.290 -6.241 -5.872
533 2HG1 VAL 66 2HG1 VAL 66 11.727 -5.240 -5.649
534 3HG1 VAL 66 3HG1 VAL 66 10.643 -4.936 -7.007
535 1HG2 VAL 66 1HG2 VAL 66 11.117 -2.536 -5.271
536 2HG2 VAL 66 2HG2 VAL 66 9.400 -2.204 -5.040
537 3HG2 VAL 66 3HG2 VAL 66 9.988 -2.755 -6.609
538 H THR 67 H THR 67 6.869 -2.634 -4.884
539 HA THR 67 HA THR 67 6.656 -2.102 -7.763
540 HB THR 67 HB THR 67 4.189 -1.816 -6.100
541 HG1 THR 67 1HG THR 67 5.336 -4.226 -7.005
542 1HG2 THR 67 1HG2 THR 67 4.853 -1.363 -8.757
543 2HG2 THR 67 2HG2 THR 67 3.227 -1.437 -8.081
544 3HG2 THR 67 3HG2 THR 67 3.953 -2.879 -8.789
545 H ARG 68 H ARG 68 6.788 0.011 -8.277
546 HA ARG 68 HA ARG 68 6.697 1.952 -6.061
547 1HB ARG 68 2HB ARG 68 8.068 2.556 -8.648
548 2HB ARG 68 1HB ARG 68 8.409 3.167 -7.035
549 1HG ARG 68 2HG ARG 68 9.466 1.132 -6.400
550 2HG ARG 68 1HG ARG 68 8.919 0.323 -7.868
551 1HD ARG 68 2HD ARG 68 10.758 0.971 -8.926
552 2HD ARG 68 1HD ARG 68 10.349 2.658 -8.624
553 HE ARG 68 HE ARG 68 11.837 2.686 -6.853
554 1HH1 ARG 68 1HH1 ARG 68 11.466 -0.558 -8.072
555 2HH1 ARG 68 2HH1 ARG 68 12.825 -1.180 -7.196
556 1HH2 ARG 68 1HH2 ARG 68 13.626 1.873 -5.693
557 2HH2 ARG 68 2HH2 ARG 68 14.052 0.202 -5.844
558 H PHE 69 H PHE 69 5.240 3.542 -6.123
559 HA PHE 69 HA PHE 69 4.172 4.546 -8.608
560 1HB PHE 69 2HB PHE 69 1.817 4.071 -8.045
561 2HB PHE 69 1HB PHE 69 2.747 2.600 -8.308
562 HD1 PHE 69 1HD PHE 69 0.714 4.468 -6.015
563 HD2 PHE 69 2HD PHE 69 3.514 1.278 -6.319
564 HE1 PHE 69 1HE PHE 69 -0.017 3.623 -3.823
565 HE2 PHE 69 2HE PHE 69 2.789 0.428 -4.128
566 HZ PHE 69 HZ PHE 69 1.021 1.600 -2.877
567 H ASP 70 H ASP 70 3.780 6.654 -8.428
568 HA ASP 70 HA ASP 70 3.748 7.828 -5.748
569 1HB ASP 70 2HB ASP 70 4.141 9.979 -6.899
570 2HB ASP 70 1HB ASP 70 5.361 8.780 -7.326
571 H PHE 71 H PHE 71 2.017 8.898 -4.929
572 HA PHE 71 HA PHE 71 -0.262 9.434 -6.677
573 1HB PHE 71 2HB PHE 71 -1.832 8.290 -5.245
574 2HB PHE 71 1HB PHE 71 -0.564 7.159 -5.716
575 HD1 PHE 71 1HD PHE 71 -2.238 8.799 -2.985
576 HD2 PHE 71 2HD PHE 71 1.226 6.584 -4.076
577 HE1 PHE 71 1HE PHE 71 -1.833 8.274 -0.615
578 HE2 PHE 71 2HE PHE 71 1.639 6.055 -1.709
579 HZ PHE 71 HZ PHE 71 0.108 6.899 0.025
580 H THR 72 H THR 72 -1.875 10.848 -5.682
581 HA THR 72 HA THR 72 -0.620 12.643 -3.717
582 HB THR 72 HB THR 72 -1.686 14.473 -4.677
583 HG1 THR 72 1HG THR 72 -3.493 12.573 -5.761
584 1HG2 THR 72 1HG2 THR 72 -1.258 14.360 -7.079
585 2HG2 THR 72 2HG2 THR 72 -1.197 12.600 -6.995
586 3HG2 THR 72 3HG2 THR 72 0.031 13.564 -6.177
587 H THR 73 H THR 73 -2.215 13.954 -2.440
588 HA THR 73 HA THR 73 -4.193 14.218 -1.234
589 HB THR 73 HB THR 73 -4.777 11.284 -1.674
590 HG1 THR 73 1HG THR 73 -6.284 12.057 -3.218
591 1HG2 THR 73 1HG2 THR 73 -6.582 11.544 -0.364
592 2HG2 THR 73 2HG2 THR 73 -6.976 13.110 -1.074
593 3HG2 THR 73 3HG2 THR 73 -5.787 13.004 0.225
594 H THR 74 H THR 74 -2.726 14.635 0.412
595 HA THR 74 HA THR 74 -2.583 12.533 2.432
596 HB THR 74 HB THR 74 -0.381 12.293 2.442
597 HG1 THR 74 1HG THR 74 -0.379 15.115 2.478
598 1HG2 THR 74 1HG2 THR 74 -0.801 13.813 -0.087
599 2HG2 THR 74 2HG2 THR 74 -0.317 12.134 0.150
600 3HG2 THR 74 3HG2 THR 74 0.845 13.433 0.422
601 H SER 75 H SER 75 -1.558 13.562 4.538
602 HA SER 75 HA SER 75 -1.972 16.358 4.921
603 1HB SER 75 2HB SER 75 -4.288 15.976 4.926
604 2HB SER 75 1HB SER 75 -4.125 14.439 5.774
605 HG SER 75 HG SER 75 -3.182 16.658 7.127
606 H THR 76 H THR 76 -2.406 13.406 6.872
607 HA THR 76 HA THR 76 -1.424 12.665 8.776
608 HB THR 76 HB THR 76 0.901 12.781 9.005
609 HG1 THR 76 1HG THR 76 2.141 14.492 8.294
610 1HG2 THR 76 1HG2 THR 76 1.796 12.720 6.630
611 2HG2 THR 76 2HG2 THR 76 0.160 13.125 6.109
612 3HG2 THR 76 3HG2 THR 76 0.460 11.627 6.989
613 H SER 77 H SER 77 -2.409 13.390 10.540
614 HA SER 77 HA SER 77 -2.775 16.046 11.282
615 1HB SER 77 2HB SER 77 -2.696 13.590 13.053
616 2HB SER 77 1HB SER 77 -3.361 15.155 13.518
617 HG SER 77 HG SER 77 -4.980 14.909 12.044
618 H THR 78 H THR 78 -0.439 13.709 12.615
619 HA THR 78 HA THR 78 1.454 13.989 13.858
620 HB THR 78 HB THR 78 3.101 15.558 12.921
621 HG1 THR 78 1HG THR 78 2.436 16.855 11.122
622 1HG2 THR 78 1HG2 THR 78 3.494 14.186 11.186
623 2HG2 THR 78 2HG2 THR 78 1.946 14.556 10.425
624 3HG2 THR 78 3HG2 THR 78 2.033 13.346 11.706
625 HA PRO 79 HA PRO 79 -0.144 17.453 16.480
626 1HB PRO 79 2HB PRO 79 -0.617 16.036 18.705
627 2HB PRO 79 1HB PRO 79 -1.769 16.059 17.363
628 1HG PRO 79 2HG PRO 79 0.253 13.975 18.091
629 2HG PRO 79 1HG PRO 79 -1.426 13.767 17.560
630 1HD PRO 79 2HD PRO 79 0.752 13.502 15.909
631 2HD PRO 79 1HD PRO 79 -0.871 13.948 15.347
632 H GLY 80 H GLY 80 2.457 15.266 16.546
633 1HA GLY 80 2HA GLY 80 3.772 16.837 18.677
634 2HA GLY 80 1HA GLY 80 4.070 15.123 18.427
635 H SER 81 H SER 81 5.639 14.506 17.048
636 HA SER 81 HA SER 81 6.594 16.206 14.945
637 1HB SER 81 2HB SER 81 7.962 16.163 17.558
638 2HB SER 81 1HB SER 81 9.015 15.901 16.166
639 HG SER 81 HG SER 81 8.377 17.855 15.330
640 H ARG 82 H ARG 82 6.463 13.261 16.652
641 HA ARG 82 HA ARG 82 7.976 11.939 14.497
642 1HB ARG 82 2HB ARG 82 8.256 11.717 17.409
643 2HB ARG 82 1HB ARG 82 8.123 10.168 16.589
644 1HG ARG 82 2HG ARG 82 9.981 10.847 15.101
645 2HG ARG 82 1HG ARG 82 10.153 12.325 16.052
646 1HD ARG 82 2HD ARG 82 11.759 10.839 16.915
647 2HD ARG 82 1HD ARG 82 10.429 10.813 18.073
648 HE ARG 82 HE ARG 82 11.058 8.690 16.136
649 1HH1 ARG 82 1HH1 ARG 82 9.425 9.813 18.999
650 2HH1 ARG 82 2HH1 ARG 82 8.901 8.234 19.478
651 1HH2 ARG 82 1HH2 ARG 82 10.373 6.605 16.754
652 2HH2 ARG 82 2HH2 ARG 82 9.440 6.408 18.201
653 H SER 83 H SER 83 5.022 12.337 15.961
654 HA SER 83 HA SER 83 3.020 11.263 15.850
655 1HB SER 83 2HB SER 83 4.407 10.688 13.358
656 2HB SER 83 1HB SER 83 3.268 9.411 13.782
657 HG SER 83 HG SER 83 2.785 12.126 13.256
658 H HIS 84 H HIS 84 2.491 8.573 14.959
659 HA HIS 84 HA HIS 84 2.347 6.455 15.761
660 1HB HIS 84 2HB HIS 84 5.191 7.138 16.407
661 2HB HIS 84 1HB HIS 84 4.502 5.638 17.018
662 HD2 HIS 84 2HD HIS 84 5.027 7.342 13.497
663 HE1 HIS 84 1HE HIS 84 5.082 3.128 13.111
664 HE2 HIS 84 2HE HIS 84 5.531 5.331 11.939
665 H HIS 85 H HIS 85 0.849 6.261 17.283
666 HA HIS 85 HA HIS 85 1.450 7.244 19.990
667 1HB HIS 85 2HB HIS 85 -1.319 6.505 19.135
668 2HB HIS 85 1HB HIS 85 -0.796 7.709 20.308
669 HD2 HIS 85 2HD HIS 85 -0.074 10.198 19.246
670 HE1 HIS 85 1HE HIS 85 -1.580 9.339 15.384
671 HE2 HIS 85 2HE HIS 85 -0.868 11.178 16.977
672 H HIS 86 H HIS 86 1.262 4.444 18.181
673 HA HIS 86 HA HIS 86 0.450 2.802 20.478
674 1HB HIS 86 2HB HIS 86 0.408 2.401 17.524
675 2HB HIS 86 1HB HIS 86 0.619 0.982 18.542
676 HD2 HIS 86 2HD HIS 86 -2.168 2.416 16.820
677 HE1 HIS 86 1HE HIS 86 -3.782 1.473 20.616
678 HE2 HIS 86 2HE HIS 86 -4.318 2.239 18.259
679 H HIS 87 H HIS 87 1.798 0.451 19.254
680 HA HIS 87 HA HIS 87 3.737 -0.708 19.472
681 1HB HIS 87 2HB HIS 87 4.404 1.630 18.089
682 2HB HIS 87 1HB HIS 87 5.637 1.477 19.335
683 HD2 HIS 87 2HD HIS 87 4.226 -0.639 16.335
684 HE1 HIS 87 1HE HIS 87 8.164 -1.882 17.259
685 HE2 HIS 87 2HE HIS 87 6.270 -2.046 15.581
686 H HIS 88 H HIS 88 6.130 -0.289 20.653
687 HA HIS 88 HA HIS 88 5.417 -0.234 23.427
688 1HB HIS 88 2HB HIS 88 7.611 -1.192 21.845
689 2HB HIS 88 1HB HIS 88 8.237 -0.206 23.162
690 HD2 HIS 88 2HD HIS 88 5.592 -3.144 22.954
691 HE1 HIS 88 1HE HIS 88 8.012 -3.568 26.400
692 HE2 HIS 88 2HE HIS 88 5.994 -4.461 25.153
693 H HIS 89 H HIS 89 7.047 1.934 21.201
694 HA HIS 89 HA HIS 89 6.654 4.150 22.982
695 1HB HIS 89 2HB HIS 89 9.150 2.761 23.073
696 2HB HIS 89 1HB HIS 89 9.420 4.346 22.356
697 HD2 HIS 89 2HD HIS 89 10.667 5.391 24.566
698 HE1 HIS 89 1HE HIS 89 7.338 4.986 27.148
699 HE2 HIS 89 2HE HIS 89 9.730 5.805 26.949
Start of MODEL 8
1 1H MET 1 1HT MET 1 -20.022 -31.500 17.469
2 2H MET 1 2HT MET 1 -18.483 -31.475 16.771
3 3H MET 1 3HT MET 1 -19.857 -31.538 15.785
4 HA MET 1 HA MET 1 -20.492 -29.354 16.318
5 1HB MET 1 2HB MET 1 -19.104 -29.969 18.707
6 2HB MET 1 1HB MET 1 -18.325 -28.550 18.023
7 1HG MET 1 2HG MET 1 -21.202 -28.328 17.925
8 2HG MET 1 1HG MET 1 -20.625 -28.616 19.566
9 1HE MET 1 1HE MET 1 -19.776 -26.274 16.355
10 2HE MET 1 2HE MET 1 -20.386 -24.819 17.140
11 3HE MET 1 3HE MET 1 -21.435 -26.224 16.950
12 H ARG 2 H ARG 2 -17.035 -29.237 17.026
13 HA ARG 2 HA ARG 2 -16.610 -27.872 14.475
14 1HB ARG 2 2HB ARG 2 -15.559 -27.568 17.112
15 2HB ARG 2 1HB ARG 2 -14.229 -27.955 16.029
16 1HG ARG 2 2HG ARG 2 -15.740 -26.047 14.670
17 2HG ARG 2 1HG ARG 2 -15.683 -25.492 16.345
18 1HD ARG 2 2HD ARG 2 -13.764 -24.552 15.492
19 2HD ARG 2 1HD ARG 2 -13.145 -26.067 16.147
20 HE ARG 2 HE ARG 2 -12.618 -26.717 14.021
21 1HH1 ARG 2 1HH1 ARG 2 -14.911 -24.098 13.855
22 2HH1 ARG 2 2HH1 ARG 2 -14.793 -23.932 12.135
23 1HH2 ARG 2 1HH2 ARG 2 -12.455 -26.505 11.756
24 2HH2 ARG 2 2HH2 ARG 2 -13.397 -25.301 10.942
25 H GLY 3 H GLY 3 -15.066 -28.515 12.976
26 1HA GLY 3 2HA GLY 3 -13.627 -31.014 13.454
27 2HA GLY 3 1HA GLY 3 -14.788 -31.000 12.135
28 H SER 4 H SER 4 -11.690 -31.063 12.507
29 HA SER 4 HA SER 4 -10.998 -28.854 10.714
30 1HB SER 4 2HB SER 4 -9.671 -29.387 12.844
31 2HB SER 4 1HB SER 4 -9.059 -30.791 11.971
32 HG SER 4 HG SER 4 -7.633 -29.124 11.642
33 H ASN 5 H ASN 5 -10.344 -29.146 8.649
34 HA ASN 5 HA ASN 5 -10.370 -31.908 7.634
35 1HB ASN 5 2HB ASN 5 -11.678 -29.522 6.738
36 2HB ASN 5 1HB ASN 5 -10.568 -30.069 5.485
37 1HD2 ASN 5 1HD2 ASN 5 -10.670 -32.519 5.131
38 2HD2 ASN 5 2HD2 ASN 5 -12.258 -33.189 5.014
39 H ALA 6 H ALA 6 -8.947 -28.770 6.685
40 HA ALA 6 HA ALA 6 -6.320 -30.021 6.531
41 1HB ALA 6 1HB ALA 6 -6.533 -30.376 4.330
42 2HB ALA 6 2HB ALA 6 -6.307 -28.634 4.179
43 3HB ALA 6 3HB ALA 6 -7.934 -29.314 4.199
44 HA PRO 7 HA PRO 7 -5.873 -25.845 8.290
45 1HB PRO 7 2HB PRO 7 -3.483 -26.343 9.486
46 2HB PRO 7 1HB PRO 7 -5.033 -26.793 10.205
47 1HG PRO 7 2HG PRO 7 -3.090 -28.483 8.680
48 2HG PRO 7 1HG PRO 7 -3.995 -28.871 10.154
49 1HD PRO 7 2HD PRO 7 -4.758 -29.745 7.710
50 2HD PRO 7 1HD PRO 7 -5.924 -29.366 8.993
51 H GLN 8 H GLN 8 -5.261 -24.300 6.927
52 HA GLN 8 HA GLN 8 -2.719 -24.627 5.471
53 1HB GLN 8 2HB GLN 8 -3.735 -23.092 3.755
54 2HB GLN 8 1HB GLN 8 -4.489 -24.677 3.871
55 1HG GLN 8 2HG GLN 8 -6.413 -23.843 4.827
56 2HG GLN 8 1HG GLN 8 -5.611 -22.388 5.420
57 1HE2 GLN 8 1HE2 GLN 8 -7.021 -20.946 4.522
58 2HE2 GLN 8 2HE2 GLN 8 -7.174 -20.698 2.819
59 HA PRO 9 HA PRO 9 -1.423 -20.920 7.521
60 1HB PRO 9 2HB PRO 9 0.645 -20.201 5.963
61 2HB PRO 9 1HB PRO 9 0.707 -21.645 6.982
62 1HG PRO 9 2HG PRO 9 0.150 -21.421 4.048
63 2HG PRO 9 1HG PRO 9 1.178 -22.584 4.906
64 1HD PRO 9 2HD PRO 9 -1.364 -23.145 4.082
65 2HD PRO 9 1HD PRO 9 -0.600 -23.913 5.488
66 H SER 10 H SER 10 -0.284 -18.692 6.344
67 HA SER 10 HA SER 10 -2.621 -17.493 5.057
68 1HB SER 10 2HB SER 10 -0.610 -15.545 5.578
69 2HB SER 10 1HB SER 10 -2.161 -15.755 6.391
70 HG SER 10 HG SER 10 -1.148 -17.215 7.809
71 H HIS 11 H HIS 11 -1.651 -15.424 3.667
72 HA HIS 11 HA HIS 11 -0.628 -16.673 1.308
73 1HB HIS 11 2HB HIS 11 -1.516 -13.924 2.064
74 2HB HIS 11 1HB HIS 11 -0.523 -14.110 0.622
75 HD2 HIS 11 2HD HIS 11 -4.127 -14.173 1.590
76 HE1 HIS 11 1HE HIS 11 -3.834 -16.414 -1.988
77 HE2 HIS 11 2HE HIS 11 -5.396 -15.126 -0.462
78 H ILE 12 H ILE 12 0.626 -13.565 2.314
79 HA ILE 12 HA ILE 12 3.353 -14.612 2.022
80 HB ILE 12 HB ILE 12 2.881 -12.746 0.569
81 1HG1 ILE 12 2HG1 ILE 12 4.399 -11.053 2.308
82 2HG1 ILE 12 1HG1 ILE 12 4.930 -12.717 2.545
83 1HG2 ILE 12 1HG2 ILE 12 1.254 -11.870 2.657
84 2HG2 ILE 12 2HG2 ILE 12 1.525 -11.075 1.106
85 3HG2 ILE 12 3HG2 ILE 12 2.514 -10.646 2.501
86 1HD1 ILE 12 1HD1 ILE 12 4.623 -11.740 -0.237
87 2HD1 ILE 12 2HD1 ILE 12 5.774 -12.891 0.443
88 3HD1 ILE 12 3HD1 ILE 12 5.995 -11.162 0.709
89 H SER 13 H SER 13 4.946 -14.191 3.585
90 HA SER 13 HA SER 13 4.327 -14.481 6.227
91 1HB SER 13 2HB SER 13 6.693 -12.827 5.338
92 2HB SER 13 1HB SER 13 6.572 -13.884 6.744
93 HG SER 13 HG SER 13 6.052 -15.348 4.605
94 H LYS 14 H LYS 14 4.953 -11.419 4.546
95 HA LYS 14 HA LYS 14 2.990 -9.979 5.935
96 1HB LYS 14 2HB LYS 14 4.501 -8.473 7.256
97 2HB LYS 14 1HB LYS 14 4.368 -10.109 7.884
98 1HG LYS 14 2HG LYS 14 6.518 -10.687 7.146
99 2HG LYS 14 1HG LYS 14 6.621 -9.278 6.086
100 1HD LYS 14 2HD LYS 14 6.156 -8.259 8.651
101 2HD LYS 14 1HD LYS 14 7.352 -9.540 8.861
102 1HE LYS 14 2HE LYS 14 8.731 -8.515 7.103
103 2HE LYS 14 1HE LYS 14 7.544 -7.222 6.940
104 1HZ LYS 14 1HZ LYS 14 8.468 -7.626 9.637
105 2HZ LYS 14 2HZ LYS 14 8.313 -6.194 8.750
106 3HZ LYS 14 3HZ LYS 14 9.692 -7.156 8.567
107 H TYR 15 H TYR 15 2.678 -7.950 5.060
108 HA TYR 15 HA TYR 15 4.494 -7.235 2.851
109 1HB TYR 15 2HB TYR 15 1.830 -7.776 2.674
110 2HB TYR 15 1HB TYR 15 1.796 -6.032 2.910
111 HD1 TYR 15 1HD TYR 15 1.665 -8.420 0.481
112 HD2 TYR 15 2HD TYR 15 3.804 -4.857 1.396
113 HE1 TYR 15 1HE TYR 15 2.141 -8.099 -1.910
114 HE2 TYR 15 2HE TYR 15 4.285 -4.523 -0.994
115 HH TYR 15 HH TYR 15 4.387 -5.736 -3.038
116 H ILE 16 H ILE 16 5.402 -5.223 2.826
117 HA ILE 16 HA ILE 16 4.659 -3.443 5.048
118 HB ILE 16 HB ILE 16 7.327 -3.840 3.707
119 1HG1 ILE 16 2HG1 ILE 16 6.236 -4.319 6.478
120 2HG1 ILE 16 1HG1 ILE 16 6.951 -5.490 5.377
121 1HG2 ILE 16 1HG2 ILE 16 6.902 -1.442 4.070
122 2HG2 ILE 16 2HG2 ILE 16 8.189 -2.052 5.110
123 3HG2 ILE 16 3HG2 ILE 16 6.580 -1.767 5.773
124 1HD1 ILE 16 1HD1 ILE 16 8.916 -5.178 6.327
125 2HD1 ILE 16 2HD1 ILE 16 8.192 -4.007 7.430
126 3HD1 ILE 16 3HD1 ILE 16 8.870 -3.469 5.894
127 H LEU 17 H LEU 17 3.725 -1.618 4.503
128 HA LEU 17 HA LEU 17 4.051 -0.606 1.764
129 1HB LEU 17 2HB LEU 17 1.752 -1.084 2.385
130 2HB LEU 17 1HB LEU 17 1.906 -0.112 3.833
131 HG LEU 17 HG LEU 17 2.187 1.905 2.427
132 1HD1 LEU 17 1HD1 LEU 17 2.871 0.255 0.424
133 2HD1 LEU 17 2HD1 LEU 17 2.277 1.897 0.177
134 3HD1 LEU 17 3HD1 LEU 17 1.175 0.528 0.028
135 1HD2 LEU 17 1HD2 LEU 17 -0.308 1.030 1.305
136 2HD2 LEU 17 2HD2 LEU 17 -0.008 2.174 2.614
137 3HD2 LEU 17 3HD2 LEU 17 -0.143 0.451 2.963
138 H ARG 18 H ARG 18 5.494 0.976 1.595
139 HA ARG 18 HA ARG 18 5.733 2.891 3.814
140 1HB ARG 18 2HB ARG 18 8.124 3.140 2.592
141 2HB ARG 18 1HB ARG 18 7.833 2.041 3.934
142 1HG ARG 18 2HG ARG 18 7.103 0.561 1.722
143 2HG ARG 18 1HG ARG 18 8.512 1.469 1.173
144 1HD ARG 18 2HD ARG 18 8.303 -0.432 3.494
145 2HD ARG 18 1HD ARG 18 9.346 -0.545 2.077
146 HE ARG 18 HE ARG 18 9.992 1.807 3.428
147 1HH1 ARG 18 1HH1 ARG 18 10.147 -1.639 3.926
148 2HH1 ARG 18 2HH1 ARG 18 11.535 -1.558 4.957
149 1HH2 ARG 18 1HH2 ARG 18 11.820 1.923 4.787
150 2HH2 ARG 18 2HH2 ARG 18 12.486 0.467 5.448
151 H TRP 19 H TRP 19 5.349 4.980 3.334
152 HA TRP 19 HA TRP 19 5.822 5.922 0.632
153 1HB TRP 19 2HB TRP 19 3.592 6.854 0.369
154 2HB TRP 19 1HB TRP 19 3.498 5.114 0.591
155 HD1 TRP 19 HD TRP 19 2.196 8.295 1.888
156 HE1 TRP 19 1HE TRP 19 0.742 7.921 3.980
157 HE3 TRP 19 3HE TRP 19 3.411 3.435 2.846
158 HZ2 TRP 19 2HZ TRP 19 0.182 5.834 5.791
159 HZ3 TRP 19 3HZ TRP 19 2.370 2.319 4.778
160 HH2 TRP 19 HH TRP 19 0.792 3.494 6.218
161 H ARG 20 H ARG 20 5.715 8.235 0.460
162 HA ARG 20 HA ARG 20 5.529 9.851 2.827
163 1HB ARG 20 2HB ARG 20 7.756 10.434 3.153
164 2HB ARG 20 1HB ARG 20 7.865 8.712 2.822
165 1HG ARG 20 2HG ARG 20 9.034 9.023 0.938
166 2HG ARG 20 1HG ARG 20 8.068 10.415 0.447
167 1HD ARG 20 2HD ARG 20 9.497 11.885 1.364
168 2HD ARG 20 1HD ARG 20 9.752 10.888 2.795
169 HE ARG 20 HE ARG 20 11.039 9.707 0.589
170 1HH1 ARG 20 1HH1 ARG 20 11.299 12.468 2.697
171 2HH1 ARG 20 2HH1 ARG 20 13.021 12.582 2.547
172 1HH2 ARG 20 1HH2 ARG 20 13.305 9.850 0.384
173 2HH2 ARG 20 2HH2 ARG 20 14.161 11.095 1.232
174 HA PRO 21 HA PRO 21 4.598 13.088 -0.022
175 1HB PRO 21 2HB PRO 21 6.622 14.813 1.315
176 2HB PRO 21 1HB PRO 21 4.901 15.108 1.031
177 1HG PRO 21 2HG PRO 21 5.723 14.481 3.464
178 2HG PRO 21 1HG PRO 21 4.246 13.742 2.810
179 1HD PRO 21 2HD PRO 21 7.005 12.580 3.019
180 2HD PRO 21 1HD PRO 21 5.440 11.843 3.423
181 H LYS 22 H LYS 22 5.277 12.711 -2.023
182 HA LYS 22 HA LYS 22 7.848 12.202 -2.896
183 1HB LYS 22 2HB LYS 22 5.500 12.022 -4.062
184 2HB LYS 22 1HB LYS 22 5.928 13.601 -4.704
185 1HG LYS 22 2HG LYS 22 8.030 11.578 -4.953
186 2HG LYS 22 1HG LYS 22 6.554 11.232 -5.858
187 1HD LYS 22 2HD LYS 22 7.623 13.991 -6.022
188 2HD LYS 22 1HD LYS 22 8.541 12.727 -6.842
189 1HE LYS 22 2HE LYS 22 6.055 13.990 -7.600
190 2HE LYS 22 1HE LYS 22 7.134 12.972 -8.551
191 1HZ LYS 22 1HZ LYS 22 4.973 12.060 -6.733
192 2HZ LYS 22 2HZ LYS 22 6.080 11.026 -7.482
193 3HZ LYS 22 3HZ LYS 22 5.004 11.932 -8.420
194 H ASN 23 H ASN 23 6.369 15.260 -2.170
195 HA ASN 23 HA ASN 23 8.543 16.712 -3.497
196 1HB ASN 23 2HB ASN 23 5.942 17.290 -3.540
197 2HB ASN 23 1HB ASN 23 6.367 18.154 -2.067
198 1HD2 ASN 23 1HD2 ASN 23 8.482 17.684 -4.824
199 2HD2 ASN 23 2HD2 ASN 23 8.554 19.346 -5.290
200 H SER 24 H SER 24 7.025 16.367 -0.308
201 HA SER 24 HA SER 24 8.969 18.073 0.955
202 1HB SER 24 2HB SER 24 6.427 17.321 1.611
203 2HB SER 24 1HB SER 24 7.378 16.296 2.683
204 HG SER 24 HG SER 24 8.168 18.944 2.530
205 H VAL 25 H VAL 25 9.961 17.141 3.083
206 HA VAL 25 HA VAL 25 11.077 14.468 2.602
207 HB VAL 25 HB VAL 25 12.707 16.100 1.750
208 1HG1 VAL 25 1HG1 VAL 25 12.804 18.082 2.762
209 2HG1 VAL 25 2HG1 VAL 25 13.787 17.292 3.996
210 3HG1 VAL 25 3HG1 VAL 25 12.046 17.458 4.226
211 1HG2 VAL 25 1HG2 VAL 25 14.084 15.255 4.199
212 2HG2 VAL 25 2HG2 VAL 25 14.441 14.891 2.510
213 3HG2 VAL 25 3HG2 VAL 25 13.204 13.974 3.369
214 H GLY 26 H GLY 26 11.646 13.316 4.449
215 1HA GLY 26 2HA GLY 26 11.983 14.233 7.023
216 2HA GLY 26 1HA GLY 26 10.247 14.046 6.833
217 H ARG 27 H ARG 27 9.409 12.120 7.290
218 HA ARG 27 HA ARG 27 11.176 9.767 7.188
219 1HB ARG 27 2HB ARG 27 9.459 10.758 9.413
220 2HB ARG 27 1HB ARG 27 9.581 9.021 9.179
221 1HG ARG 27 2HG ARG 27 12.007 10.769 9.405
222 2HG ARG 27 1HG ARG 27 11.195 10.093 10.818
223 1HD ARG 27 2HD ARG 27 12.136 8.404 8.512
224 2HD ARG 27 1HD ARG 27 13.157 8.775 9.901
225 HE ARG 27 HE ARG 27 11.290 7.713 11.245
226 1HH1 ARG 27 1HH1 ARG 27 12.004 6.810 7.954
227 2HH1 ARG 27 2HH1 ARG 27 11.397 5.197 8.129
228 1HH2 ARG 27 1HH2 ARG 27 10.489 5.588 11.482
229 2HH2 ARG 27 2HH2 ARG 27 10.536 4.504 10.132
230 H TRP 28 H TRP 28 10.211 7.798 6.646
231 HA TRP 28 HA TRP 28 7.845 8.047 5.007
232 1HB TRP 28 2HB TRP 28 9.655 5.697 5.597
233 2HB TRP 28 1HB TRP 28 8.294 5.636 4.484
234 HD1 TRP 28 HD TRP 28 11.575 7.678 4.893
235 HE1 TRP 28 1HE TRP 28 12.485 8.183 2.539
236 HE3 TRP 28 3HE TRP 28 7.821 5.607 2.106
237 HZ2 TRP 28 2HZ TRP 28 11.715 7.760 -0.142
238 HZ3 TRP 28 3HZ TRP 28 7.984 5.701 -0.348
239 HH2 TRP 28 HH TRP 28 9.891 6.757 -1.447
240 H LYS 29 H LYS 29 6.489 5.777 5.176
241 HA LYS 29 HA LYS 29 5.745 5.355 7.983
242 1HB LYS 29 2HB LYS 29 4.152 6.720 5.964
243 2HB LYS 29 1HB LYS 29 3.319 5.312 6.606
244 1HG LYS 29 2HG LYS 29 4.254 6.485 8.881
245 2HG LYS 29 1HG LYS 29 3.915 7.884 7.860
246 1HD LYS 29 2HD LYS 29 1.877 7.562 8.890
247 2HD LYS 29 1HD LYS 29 1.665 6.642 7.399
248 1HE LYS 29 2HE LYS 29 2.282 4.587 8.601
249 2HE LYS 29 1HE LYS 29 2.442 5.520 10.089
250 1HZ LYS 29 1HZ LYS 29 0.062 6.161 9.777
251 2HZ LYS 29 2HZ LYS 29 0.313 4.522 10.109
252 3HZ LYS 29 3HZ LYS 29 -0.030 5.021 8.530
253 H GLU 30 H GLU 30 5.635 3.218 8.388
254 HA GLU 30 HA GLU 30 5.164 1.431 6.093
255 1HB GLU 30 2HB GLU 30 7.085 1.226 8.383
256 2HB GLU 30 1HB GLU 30 6.524 -0.228 7.568
257 1HG GLU 30 2HG GLU 30 7.906 0.092 5.868
258 2HG GLU 30 1HG GLU 30 7.378 1.762 5.666
259 H ALA 31 H ALA 31 3.710 -0.158 6.252
260 HA ALA 31 HA ALA 31 2.522 -0.773 8.863
261 1HB ALA 31 1HB ALA 31 0.384 -0.257 8.279
262 2HB ALA 31 2HB ALA 31 0.654 -0.587 6.568
263 3HB ALA 31 3HB ALA 31 1.220 0.927 7.274
264 H THR 32 H THR 32 1.978 -2.913 9.124
265 HA THR 32 HA THR 32 2.827 -4.692 6.975
266 HB THR 32 HB THR 32 2.119 -5.357 9.836
267 HG1 THR 32 1HG THR 32 4.432 -4.494 8.588
268 1HG2 THR 32 1HG2 THR 32 2.926 -7.546 9.425
269 2HG2 THR 32 2HG2 THR 32 3.587 -7.091 7.854
270 3HG2 THR 32 3HG2 THR 32 1.839 -7.187 8.082
271 H ILE 33 H ILE 33 1.543 -5.960 5.837
272 HA ILE 33 HA ILE 33 -1.220 -6.404 6.710
273 HB ILE 33 HB ILE 33 -0.650 -5.895 3.809
274 1HG1 ILE 33 2HG1 ILE 33 -1.894 -3.597 4.886
275 2HG1 ILE 33 1HG1 ILE 33 -0.497 -3.929 5.905
276 1HG2 ILE 33 1HG2 ILE 33 -3.116 -5.135 4.039
277 2HG2 ILE 33 2HG2 ILE 33 -3.064 -6.003 5.574
278 3HG2 ILE 33 3HG2 ILE 33 -2.740 -6.858 4.066
279 1HD1 ILE 33 1HD1 ILE 33 -0.193 -2.388 3.890
280 2HD1 ILE 33 2HD1 ILE 33 -0.262 -3.862 2.923
281 3HD1 ILE 33 3HD1 ILE 33 0.997 -3.665 4.144
282 HA PRO 34 HA PRO 34 0.492 -10.481 5.751
283 1HB PRO 34 2HB PRO 34 -2.111 -11.374 6.801
284 2HB PRO 34 1HB PRO 34 -0.484 -11.795 7.336
285 1HG PRO 34 2HG PRO 34 -2.066 -10.205 8.801
286 2HG PRO 34 1HG PRO 34 -0.314 -9.937 8.705
287 1HD PRO 34 2HD PRO 34 -2.529 -8.505 7.282
288 2HD PRO 34 1HD PRO 34 -1.064 -7.844 8.040
289 H GLY 35 H GLY 35 0.234 -9.964 3.463
290 1HA GLY 35 2HA GLY 35 -0.507 -10.656 1.391
291 2HA GLY 35 1HA GLY 35 -1.660 -11.703 2.207
292 H HIS 36 H HIS 36 -3.718 -10.933 2.699
293 HA HIS 36 HA HIS 36 -4.537 -8.258 2.211
294 1HB HIS 36 2HB HIS 36 -4.243 -9.693 -0.113
295 2HB HIS 36 1HB HIS 36 -5.947 -9.938 0.259
296 HD2 HIS 36 2HD HIS 36 -7.288 -8.170 -1.223
297 HE1 HIS 36 1HE HIS 36 -4.732 -4.858 -0.587
298 HE2 HIS 36 2HE HIS 36 -6.780 -5.699 -1.824
299 H LEU 37 H LEU 37 -5.555 -8.452 4.180
300 HA LEU 37 HA LEU 37 -7.257 -10.598 4.878
301 1HB LEU 37 2HB LEU 37 -8.174 -8.611 6.473
302 2HB LEU 37 1HB LEU 37 -6.785 -9.610 6.831
303 HG LEU 37 HG LEU 37 -6.504 -7.142 7.219
304 1HD1 LEU 37 1HD1 LEU 37 -4.259 -7.213 6.755
305 2HD1 LEU 37 2HD1 LEU 37 -4.490 -8.043 5.216
306 3HD1 LEU 37 3HD1 LEU 37 -4.679 -8.926 6.731
307 1HD2 LEU 37 1HD2 LEU 37 -5.749 -6.037 4.925
308 2HD2 LEU 37 2HD2 LEU 37 -7.403 -5.929 5.527
309 3HD2 LEU 37 3HD2 LEU 37 -6.988 -7.123 4.298
310 H ASN 38 H ASN 38 -7.803 -7.551 3.248
311 HA ASN 38 HA ASN 38 -10.131 -8.372 1.968
312 1HB ASN 38 2HB ASN 38 -10.578 -7.282 4.655
313 2HB ASN 38 1HB ASN 38 -11.504 -6.462 3.401
314 1HD2 ASN 38 1HD2 ASN 38 -12.427 -8.152 1.750
315 2HD2 ASN 38 2HD2 ASN 38 -13.289 -9.456 2.485
316 H SER 39 H SER 39 -10.115 -5.184 3.436
317 HA SER 39 HA SER 39 -9.050 -4.065 0.932
318 1HB SER 39 2HB SER 39 -11.084 -2.450 2.349
319 2HB SER 39 1HB SER 39 -10.840 -2.697 0.619
320 HG SER 39 HG SER 39 -12.775 -3.665 1.341
321 H TYR 40 H TYR 40 -7.255 -2.953 1.329
322 HA TYR 40 HA TYR 40 -7.002 -1.598 3.933
323 1HB TYR 40 2HB TYR 40 -5.361 -3.524 3.134
324 2HB TYR 40 1HB TYR 40 -4.593 -2.190 2.276
325 HD1 TYR 40 1HD TYR 40 -4.701 -3.971 5.303
326 HD2 TYR 40 2HD TYR 40 -4.128 -0.050 3.753
327 HE1 TYR 40 1HE TYR 40 -3.531 -3.331 7.369
328 HE2 TYR 40 2HE TYR 40 -2.956 0.600 5.813
329 HH TYR 40 HH TYR 40 -2.892 -0.151 8.212
330 H THR 41 H THR 41 -7.650 0.437 3.556
331 HA THR 41 HA THR 41 -6.332 1.897 1.360
332 HB THR 41 HB THR 41 -8.505 3.445 1.910
333 HG1 THR 41 1HG THR 41 -10.076 1.369 1.685
334 1HG2 THR 41 1HG2 THR 41 -8.595 3.171 -0.299
335 2HG2 THR 41 2HG2 THR 41 -9.367 1.606 -0.050
336 3HG2 THR 41 3HG2 THR 41 -7.612 1.711 -0.188
337 H ILE 42 H ILE 42 -5.163 3.634 1.915
338 HA ILE 42 HA ILE 42 -4.889 4.298 4.709
339 HB ILE 42 HB ILE 42 -3.569 5.797 2.467
340 1HG1 ILE 42 2HG1 ILE 42 -2.256 3.396 3.671
341 2HG1 ILE 42 1HG1 ILE 42 -3.432 3.155 2.383
342 1HG2 ILE 42 1HG2 ILE 42 -3.227 5.504 5.367
343 2HG2 ILE 42 2HG2 ILE 42 -2.821 6.851 4.303
344 3HG2 ILE 42 3HG2 ILE 42 -1.733 5.468 4.431
345 1HD1 ILE 42 1HD1 ILE 42 -1.196 3.234 1.483
346 2HD1 ILE 42 2HD1 ILE 42 -0.926 4.812 2.223
347 3HD1 ILE 42 3HD1 ILE 42 -2.117 4.634 0.934
348 H LYS 43 H LYS 43 -6.079 5.762 5.717
349 HA LYS 43 HA LYS 43 -7.384 7.866 4.135
350 1HB LYS 43 2HB LYS 43 -8.344 6.114 6.170
351 2HB LYS 43 1HB LYS 43 -8.422 7.759 6.787
352 1HG LYS 43 2HG LYS 43 -10.177 8.242 5.517
353 2HG LYS 43 1HG LYS 43 -9.390 7.603 4.072
354 1HD LYS 43 2HD LYS 43 -9.986 5.307 5.365
355 2HD LYS 43 1HD LYS 43 -11.317 6.331 5.902
356 1HE LYS 43 2HE LYS 43 -10.649 6.378 3.016
357 2HE LYS 43 1HE LYS 43 -11.402 4.913 3.641
358 1HZ LYS 43 1HZ LYS 43 -13.284 6.114 4.337
359 2HZ LYS 43 2HZ LYS 43 -12.951 6.676 2.778
360 3HZ LYS 43 3HZ LYS 43 -12.527 7.611 4.121
361 H GLY 44 H GLY 44 -7.971 9.761 5.901
362 1HA GLY 44 2HA GLY 44 -7.147 11.479 7.203
363 2HA GLY 44 1HA GLY 44 -5.822 10.423 7.671
364 H LEU 45 H LEU 45 -6.844 11.655 4.499
365 HA LEU 45 HA LEU 45 -4.308 13.114 4.291
366 1HB LEU 45 2HB LEU 45 -5.079 11.891 1.775
367 2HB LEU 45 1HB LEU 45 -3.518 11.918 2.575
368 HG LEU 45 HG LEU 45 -5.372 10.090 3.873
369 1HD1 LEU 45 1HD1 LEU 45 -6.383 9.454 1.937
370 2HD1 LEU 45 2HD1 LEU 45 -4.935 8.450 1.839
371 3HD1 LEU 45 3HD1 LEU 45 -5.024 9.958 0.931
372 1HD2 LEU 45 1HD2 LEU 45 -2.732 9.562 2.525
373 2HD2 LEU 45 2HD2 LEU 45 -3.495 8.631 3.815
374 3HD2 LEU 45 3HD2 LEU 45 -2.880 10.252 4.141
375 H LYS 46 H LYS 46 -4.321 14.619 2.329
376 HA LYS 46 HA LYS 46 -6.981 15.402 1.480
377 1HB LYS 46 2HB LYS 46 -6.674 17.747 2.135
378 2HB LYS 46 1HB LYS 46 -6.708 16.673 3.524
379 1HG LYS 46 2HG LYS 46 -4.809 17.577 4.201
380 2HG LYS 46 1HG LYS 46 -4.020 16.899 2.777
381 1HD LYS 46 2HD LYS 46 -4.077 18.873 1.632
382 2HD LYS 46 1HD LYS 46 -5.547 19.422 2.438
383 1HE LYS 46 2HE LYS 46 -3.276 20.571 2.969
384 2HE LYS 46 1HE LYS 46 -4.403 20.214 4.276
385 1HZ LYS 46 1HZ LYS 46 -3.078 18.575 5.098
386 2HZ LYS 46 2HZ LYS 46 -1.879 19.565 4.432
387 3HZ LYS 46 3HZ LYS 46 -2.400 18.190 3.596
388 HA PRO 47 HA PRO 47 -4.776 15.652 -2.403
389 1HB PRO 47 2HB PRO 47 -7.167 17.369 -2.940
390 2HB PRO 47 1HB PRO 47 -6.450 16.097 -3.936
391 1HG PRO 47 2HG PRO 47 -8.657 15.630 -2.523
392 2HG PRO 47 1HG PRO 47 -7.397 14.393 -2.680
393 1HD PRO 47 2HD PRO 47 -8.095 16.102 -0.350
394 2HD PRO 47 1HD PRO 47 -7.415 14.463 -0.389
395 H GLY 48 H GLY 48 -3.022 16.907 -2.109
396 1HA GLY 48 2HA GLY 48 -2.983 19.563 -2.971
397 2HA GLY 48 1HA GLY 48 -3.016 19.582 -1.212
398 H VAL 49 H VAL 49 -1.560 17.107 -0.941
399 HA VAL 49 HA VAL 49 1.130 18.053 -1.675
400 HB VAL 49 HB VAL 49 1.334 17.995 0.588
401 1HG1 VAL 49 1HG1 VAL 49 -0.066 16.860 2.120
402 2HG1 VAL 49 2HG1 VAL 49 -0.627 15.730 0.888
403 3HG1 VAL 49 3HG1 VAL 49 -1.107 17.425 0.814
404 1HG2 VAL 49 1HG2 VAL 49 2.126 15.448 -0.537
405 2HG2 VAL 49 2HG2 VAL 49 1.699 15.279 1.166
406 3HG2 VAL 49 3HG2 VAL 49 2.932 16.440 0.676
407 H VAL 50 H VAL 50 2.446 16.706 -2.834
408 HA VAL 50 HA VAL 50 1.212 14.438 -4.082
409 HB VAL 50 HB VAL 50 2.732 15.892 -5.346
410 1HG1 VAL 50 1HG1 VAL 50 5.203 15.604 -4.957
411 2HG1 VAL 50 2HG1 VAL 50 4.790 14.860 -3.412
412 3HG1 VAL 50 3HG1 VAL 50 4.340 16.535 -3.734
413 1HG2 VAL 50 1HG2 VAL 50 2.435 13.700 -6.216
414 2HG2 VAL 50 2HG2 VAL 50 3.568 13.014 -5.052
415 3HG2 VAL 50 3HG2 VAL 50 4.155 14.072 -6.335
416 H TYR 51 H TYR 51 1.629 12.297 -3.803
417 HA TYR 51 HA TYR 51 3.411 11.569 -1.581
418 1HB TYR 51 2HB TYR 51 0.584 11.214 -1.820
419 2HB TYR 51 1HB TYR 51 1.341 9.632 -1.859
420 HD1 TYR 51 1HD TYR 51 -0.356 9.717 0.196
421 HD2 TYR 51 2HD TYR 51 3.449 11.617 0.123
422 HE1 TYR 51 1HE TYR 51 -0.302 9.708 2.654
423 HE2 TYR 51 2HE TYR 51 3.509 11.616 2.563
424 HH TYR 51 HH TYR 51 1.662 11.564 4.456
425 H GLU 52 H GLU 52 4.608 9.739 -1.757
426 HA GLU 52 HA GLU 52 4.421 8.301 -4.325
427 1HB GLU 52 2HB GLU 52 6.829 7.853 -4.170
428 2HB GLU 52 1HB GLU 52 6.511 9.580 -4.200
429 1HG GLU 52 2HG GLU 52 6.769 9.619 -1.739
430 2HG GLU 52 1HG GLU 52 7.216 7.914 -1.797
431 H GLY 53 H GLY 53 4.025 6.170 -4.175
432 1HA GLY 53 2HA GLY 53 4.086 5.015 -1.464
433 2HA GLY 53 1HA GLY 53 2.958 4.543 -2.721
434 H GLN 54 H GLN 54 4.980 3.109 -1.030
435 HA GLN 54 HA GLN 54 6.203 1.601 -3.239
436 1HB GLN 54 2HB GLN 54 7.538 2.591 -0.729
437 2HB GLN 54 1HB GLN 54 8.150 1.190 -1.597
438 1HG GLN 54 2HG GLN 54 7.693 3.417 -3.375
439 2HG GLN 54 1HG GLN 54 8.777 3.849 -2.054
440 1HE2 GLN 54 1HE2 GLN 54 10.591 3.989 -3.324
441 2HE2 GLN 54 2HE2 GLN 54 11.343 2.613 -4.048
442 H LEU 55 H LEU 55 5.317 -0.367 -3.197
443 HA LEU 55 HA LEU 55 4.561 -1.506 -0.594
444 1HB LEU 55 2HB LEU 55 3.336 -1.525 -3.235
445 2HB LEU 55 1HB LEU 55 3.491 -3.139 -2.571
446 HG LEU 55 HG LEU 55 1.953 -0.813 -1.437
447 1HD1 LEU 55 1HD1 LEU 55 0.805 -2.126 -3.118
448 2HD1 LEU 55 2HD1 LEU 55 0.096 -2.416 -1.529
449 3HD1 LEU 55 3HD1 LEU 55 1.178 -3.611 -2.242
450 1HD2 LEU 55 1HD2 LEU 55 2.556 -1.551 0.594
451 2HD2 LEU 55 2HD2 LEU 55 3.174 -3.077 -0.036
452 3HD2 LEU 55 3HD2 LEU 55 1.447 -2.881 0.260
453 H ILE 56 H ILE 56 6.156 -2.732 0.182
454 HA ILE 56 HA ILE 56 7.546 -4.537 -1.683
455 HB ILE 56 HB ILE 56 8.541 -3.491 0.970
456 1HG1 ILE 56 2HG1 ILE 56 10.318 -2.525 -0.731
457 2HG1 ILE 56 1HG1 ILE 56 8.990 -2.671 -1.877
458 1HG2 ILE 56 1HG2 ILE 56 10.716 -4.507 0.086
459 2HG2 ILE 56 2HG2 ILE 56 9.695 -5.398 -1.044
460 3HG2 ILE 56 3HG2 ILE 56 9.488 -5.619 0.693
461 1HD1 ILE 56 1HD1 ILE 56 8.228 -1.375 0.615
462 2HD1 ILE 56 2HD1 ILE 56 7.949 -0.886 -1.056
463 3HD1 ILE 56 3HD1 ILE 56 9.488 -0.520 -0.275
464 H SER 57 H SER 57 7.116 -6.614 -1.484
465 HA SER 57 HA SER 57 5.694 -7.598 0.848
466 1HB SER 57 2HB SER 57 4.788 -9.098 -0.562
467 2HB SER 57 1HB SER 57 5.542 -8.172 -1.859
468 HG SER 57 HG SER 57 6.757 -10.336 -0.482
469 H ILE 58 H ILE 58 6.557 -8.822 2.362
470 HA ILE 58 HA ILE 58 9.360 -9.657 2.017
471 HB ILE 58 HB ILE 58 7.880 -8.886 4.527
472 1HG1 ILE 58 2HG1 ILE 58 8.850 -7.167 2.835
473 2HG1 ILE 58 1HG1 ILE 58 9.185 -6.957 4.550
474 1HG2 ILE 58 1HG2 ILE 58 9.966 -9.316 5.733
475 2HG2 ILE 58 2HG2 ILE 58 10.693 -9.944 4.254
476 3HG2 ILE 58 3HG2 ILE 58 9.332 -10.787 4.994
477 1HD1 ILE 58 1HD1 ILE 58 11.085 -8.338 2.680
478 2HD1 ILE 58 2HD1 ILE 58 11.402 -7.722 4.302
479 3HD1 ILE 58 3HD1 ILE 58 11.114 -6.600 2.973
480 H GLN 59 H GLN 59 9.749 -11.733 1.937
481 HA GLN 59 HA GLN 59 7.837 -13.605 3.169
482 1HB GLN 59 2HB GLN 59 8.299 -13.428 0.510
483 2HB GLN 59 1HB GLN 59 9.543 -14.585 0.959
484 1HG GLN 59 2HG GLN 59 7.892 -16.060 1.907
485 2HG GLN 59 1HG GLN 59 6.620 -14.878 1.603
486 1HE2 GLN 59 1HE2 GLN 59 5.447 -16.277 0.314
487 2HE2 GLN 59 2HE2 GLN 59 5.956 -16.726 -1.274
488 H GLN 60 H GLN 60 9.128 -15.910 3.144
489 HA GLN 60 HA GLN 60 10.966 -15.703 5.249
490 1HB GLN 60 2HB GLN 60 11.481 -18.177 4.075
491 2HB GLN 60 1HB GLN 60 10.345 -17.845 5.373
492 1HG GLN 60 2HG GLN 60 8.522 -17.840 3.957
493 2HG GLN 60 1HG GLN 60 9.502 -17.513 2.529
494 1HE2 GLN 60 1HE2 GLN 60 7.697 -19.444 2.307
495 2HE2 GLN 60 2HE2 GLN 60 8.434 -21.006 2.315
496 H TYR 61 H TYR 61 11.420 -15.463 1.840
497 HA TYR 61 HA TYR 61 14.325 -15.785 2.139
498 1HB TYR 61 2HB TYR 61 13.176 -15.330 -0.554
499 2HB TYR 61 1HB TYR 61 14.459 -16.422 -0.044
500 HD1 TYR 61 1HD TYR 61 13.713 -18.520 1.301
501 HD2 TYR 61 2HD TYR 61 11.082 -16.173 -1.078
502 HE1 TYR 61 1HE TYR 61 12.150 -20.415 1.172
503 HE2 TYR 61 2HE TYR 61 9.512 -18.056 -1.212
504 HH TYR 61 HH TYR 61 9.129 -20.265 0.506
505 H GLY 62 H GLY 62 12.466 -13.394 2.788
506 1HA GLY 62 2HA GLY 62 13.210 -11.157 3.026
507 2HA GLY 62 1HA GLY 62 14.288 -11.398 1.658
508 H HIS 63 H HIS 63 13.297 -9.216 1.146
509 HA HIS 63 HA HIS 63 10.635 -8.878 0.412
510 1HB HIS 63 2HB HIS 63 11.689 -7.174 -1.274
511 2HB HIS 63 1HB HIS 63 11.780 -6.877 0.460
512 HD2 HIS 63 2HD HIS 63 14.150 -5.545 0.504
513 HE1 HIS 63 1HE HIS 63 16.436 -8.597 -1.332
514 HE2 HIS 63 2HE HIS 63 16.500 -6.274 -0.319
515 H GLN 64 H GLN 64 9.584 -8.875 -1.640
516 HA GLN 64 HA GLN 64 10.908 -10.314 -3.797
517 1HB GLN 64 2HB GLN 64 8.177 -11.272 -3.125
518 2HB GLN 64 1HB GLN 64 9.519 -12.132 -3.866
519 1HG GLN 64 2HG GLN 64 10.105 -11.381 -1.133
520 2HG GLN 64 1HG GLN 64 8.638 -12.358 -1.255
521 1HE2 GLN 64 1HE2 GLN 64 10.661 -13.456 0.071
522 2HE2 GLN 64 2HE2 GLN 64 11.419 -14.703 -0.854
523 H GLU 65 H GLU 65 7.801 -8.912 -2.757
524 HA GLU 65 HA GLU 65 7.284 -8.060 -5.508
525 1HB GLU 65 2HB GLU 65 5.647 -9.187 -3.641
526 2HB GLU 65 1HB GLU 65 5.273 -7.482 -3.438
527 1HG GLU 65 2HG GLU 65 3.994 -7.505 -5.240
528 2HG GLU 65 1HG GLU 65 5.331 -8.096 -6.227
529 H VAL 66 H VAL 66 7.807 -6.063 -6.116
530 HA VAL 66 HA VAL 66 7.530 -3.895 -4.155
531 HB VAL 66 HB VAL 66 9.833 -4.100 -4.084
532 1HG1 VAL 66 1HG1 VAL 66 9.716 -4.781 -7.009
533 2HG1 VAL 66 2HG1 VAL 66 10.189 -5.821 -5.666
534 3HG1 VAL 66 3HG1 VAL 66 11.223 -4.474 -6.146
535 1HG2 VAL 66 1HG2 VAL 66 9.269 -1.816 -4.634
536 2HG2 VAL 66 2HG2 VAL 66 9.292 -2.192 -6.357
537 3HG2 VAL 66 3HG2 VAL 66 10.786 -2.255 -5.421
538 H THR 67 H THR 67 6.179 -2.415 -4.889
539 HA THR 67 HA THR 67 6.194 -1.736 -7.745
540 HB THR 67 HB THR 67 3.661 -2.164 -6.149
541 HG1 THR 67 1HG THR 67 5.131 -3.807 -7.880
542 1HG2 THR 67 1HG2 THR 67 4.195 -1.333 -8.993
543 2HG2 THR 67 2HG2 THR 67 3.249 -0.488 -7.768
544 3HG2 THR 67 3HG2 THR 67 2.642 -1.988 -8.471
545 H ARG 68 H ARG 68 6.042 0.403 -8.161
546 HA ARG 68 HA ARG 68 5.675 2.181 -5.844
547 1HB ARG 68 2HB ARG 68 6.908 3.082 -8.420
548 2HB ARG 68 1HB ARG 68 7.159 3.698 -6.794
549 1HG ARG 68 2HG ARG 68 8.628 1.998 -6.236
550 2HG ARG 68 1HG ARG 68 8.039 0.934 -7.516
551 1HD ARG 68 2HD ARG 68 10.220 1.777 -8.112
552 2HD ARG 68 1HD ARG 68 9.008 2.470 -9.189
553 HE ARG 68 HE ARG 68 10.316 3.900 -6.969
554 1HH1 ARG 68 1HH1 ARG 68 8.623 3.878 -10.017
555 2HH1 ARG 68 2HH1 ARG 68 8.799 5.581 -10.272
556 1HH2 ARG 68 1HH2 ARG 68 10.548 6.143 -7.299
557 2HH2 ARG 68 2HH2 ARG 68 9.894 6.869 -8.728
558 H PHE 69 H PHE 69 4.266 3.882 -5.921
559 HA PHE 69 HA PHE 69 2.834 4.513 -8.365
560 1HB PHE 69 2HB PHE 69 0.631 4.296 -6.961
561 2HB PHE 69 1HB PHE 69 1.308 2.880 -7.761
562 HD1 PHE 69 1HD PHE 69 0.697 4.522 -4.556
563 HD2 PHE 69 2HD PHE 69 2.334 1.100 -6.484
564 HE1 PHE 69 1HE PHE 69 0.766 3.344 -2.397
565 HE2 PHE 69 2HE PHE 69 2.404 -0.085 -4.331
566 HZ PHE 69 HZ PHE 69 1.620 1.036 -2.283
567 H ASP 70 H ASP 70 2.559 6.640 -8.468
568 HA ASP 70 HA ASP 70 2.864 8.189 -6.002
569 1HB ASP 70 2HB ASP 70 2.713 9.876 -8.303
570 2HB ASP 70 1HB ASP 70 4.089 9.588 -7.240
571 H PHE 71 H PHE 71 1.191 9.100 -5.069
572 HA PHE 71 HA PHE 71 -1.178 9.772 -6.665
573 1HB PHE 71 2HB PHE 71 -2.598 8.919 -4.761
574 2HB PHE 71 1HB PHE 71 -1.770 7.672 -5.695
575 HD1 PHE 71 1HD PHE 71 0.430 6.770 -4.743
576 HD2 PHE 71 2HD PHE 71 -2.381 9.001 -2.456
577 HE1 PHE 71 1HE PHE 71 1.398 5.858 -2.674
578 HE2 PHE 71 2HE PHE 71 -1.416 8.095 -0.383
579 HZ PHE 71 HZ PHE 71 0.475 6.522 -0.489
580 H THR 72 H THR 72 -2.558 11.392 -5.661
581 HA THR 72 HA THR 72 -1.008 13.081 -3.817
582 HB THR 72 HB THR 72 -2.102 15.003 -4.703
583 HG1 THR 72 1HG THR 72 -3.624 13.635 -6.588
584 1HG2 THR 72 1HG2 THR 72 -0.554 14.835 -6.314
585 2HG2 THR 72 2HG2 THR 72 -1.858 14.241 -7.344
586 3HG2 THR 72 3HG2 THR 72 -0.814 13.100 -6.494
587 H THR 73 H THR 73 -1.780 13.684 -1.942
588 HA THR 73 HA THR 73 -4.358 14.094 -1.088
589 HB THR 73 HB THR 73 -4.181 11.805 0.452
590 HG1 THR 73 1HG THR 73 -2.742 10.738 -0.838
591 1HG2 THR 73 1HG2 THR 73 -6.325 12.015 -0.129
592 2HG2 THR 73 2HG2 THR 73 -5.924 11.125 -1.597
593 3HG2 THR 73 3HG2 THR 73 -5.913 12.890 -1.602
594 H THR 74 H THR 74 -2.640 11.921 0.960
595 HA THR 74 HA THR 74 -1.615 12.173 2.964
596 HB THR 74 HB THR 74 0.477 12.542 2.408
597 HG1 THR 74 1HG THR 74 0.345 14.452 3.602
598 1HG2 THR 74 1HG2 THR 74 -0.416 12.592 0.053
599 2HG2 THR 74 2HG2 THR 74 1.133 13.402 0.291
600 3HG2 THR 74 3HG2 THR 74 -0.348 14.353 0.149
601 H SER 75 H SER 75 -1.651 13.148 4.898
602 HA SER 75 HA SER 75 -1.902 15.894 5.394
603 1HB SER 75 2HB SER 75 -4.211 15.302 4.383
604 2HB SER 75 1HB SER 75 -4.513 14.495 5.921
605 HG SER 75 HG SER 75 -4.670 16.374 6.883
606 H THR 76 H THR 76 -3.264 15.968 7.759
607 HA THR 76 HA THR 76 -1.848 13.968 9.398
608 HB THR 76 HB THR 76 -1.540 15.588 11.125
609 HG1 THR 76 1HG THR 76 -3.438 17.018 9.656
610 1HG2 THR 76 1HG2 THR 76 0.092 15.682 9.299
611 2HG2 THR 76 2HG2 THR 76 -0.156 17.274 10.018
612 3HG2 THR 76 3HG2 THR 76 -0.903 16.879 8.470
613 H SER 77 H SER 77 -2.914 13.079 11.158
614 HA SER 77 HA SER 77 -4.668 12.281 12.362
615 1HB SER 77 2HB SER 77 -4.860 14.665 13.061
616 2HB SER 77 1HB SER 77 -5.990 14.930 11.733
617 HG SER 77 HG SER 77 -6.613 14.167 14.114
618 H THR 78 H THR 78 -7.170 11.904 12.213
619 HA THR 78 HA THR 78 -8.075 11.734 9.441
620 HB THR 78 HB THR 78 -8.260 9.271 11.154
621 HG1 THR 78 1HG THR 78 -6.370 8.663 9.659
622 1HG2 THR 78 1HG2 THR 78 -8.460 8.166 8.969
623 2HG2 THR 78 2HG2 THR 78 -8.289 9.727 8.167
624 3HG2 THR 78 3HG2 THR 78 -9.695 9.407 9.181
625 HA PRO 79 HA PRO 79 -11.369 13.070 12.480
626 1HB PRO 79 2HB PRO 79 -12.187 14.542 10.035
627 2HB PRO 79 1HB PRO 79 -12.054 15.112 11.701
628 1HG PRO 79 2HG PRO 79 -10.249 15.813 9.867
629 2HG PRO 79 1HG PRO 79 -9.768 15.465 11.538
630 1HD PRO 79 2HD PRO 79 -9.501 13.764 9.092
631 2HD PRO 79 1HD PRO 79 -8.373 13.977 10.447
632 H GLY 80 H GLY 80 -12.468 13.169 9.116
633 1HA GLY 80 2HA GLY 80 -13.559 10.623 8.894
634 2HA GLY 80 1HA GLY 80 -14.779 11.620 9.670
635 H SER 81 H SER 81 -15.866 10.865 7.587
636 HA SER 81 HA SER 81 -15.524 12.996 5.601
637 1HB SER 81 2HB SER 81 -15.721 11.448 3.750
638 2HB SER 81 1HB SER 81 -14.385 10.929 4.777
639 HG SER 81 HG SER 81 -15.967 9.278 4.052
640 H ARG 82 H ARG 82 -17.495 12.182 3.825
641 HA ARG 82 HA ARG 82 -19.898 12.472 5.495
642 1HB ARG 82 2HB ARG 82 -19.620 13.114 2.558
643 2HB ARG 82 1HB ARG 82 -20.950 13.552 3.621
644 1HG ARG 82 2HG ARG 82 -19.819 15.287 4.554
645 2HG ARG 82 1HG ARG 82 -18.246 14.511 4.359
646 1HD ARG 82 2HD ARG 82 -18.096 16.176 2.788
647 2HD ARG 82 1HD ARG 82 -18.739 14.859 1.809
648 HE ARG 82 HE ARG 82 -20.299 17.129 2.846
649 1HH1 ARG 82 1HH1 ARG 82 -19.876 14.478 0.624
650 2HH1 ARG 82 2HH1 ARG 82 -21.252 14.898 -0.340
651 1HH2 ARG 82 1HH2 ARG 82 -22.111 17.690 1.581
652 2HH2 ARG 82 2HH2 ARG 82 -22.521 16.724 0.203
653 H SER 83 H SER 83 -21.687 11.187 5.183
654 HA SER 83 HA SER 83 -22.806 9.251 4.770
655 1HB SER 83 2HB SER 83 -21.556 9.302 2.024
656 2HB SER 83 1HB SER 83 -23.143 8.687 2.490
657 HG SER 83 HG SER 83 -23.446 11.033 3.174
658 H HIS 84 H HIS 84 -20.420 8.855 6.096
659 HA HIS 84 HA HIS 84 -19.699 6.183 5.135
660 1HB HIS 84 2HB HIS 84 -17.981 8.348 4.896
661 2HB HIS 84 1HB HIS 84 -17.440 7.550 6.369
662 HD2 HIS 84 2HD HIS 84 -18.126 6.492 2.627
663 HE1 HIS 84 1HE HIS 84 -15.033 4.125 4.282
664 HE2 HIS 84 2HE HIS 84 -16.505 4.502 2.253
665 H HIS 85 H HIS 85 -21.167 7.747 7.439
666 HA HIS 85 HA HIS 85 -19.900 6.333 9.681
667 1HB HIS 85 2HB HIS 85 -21.530 7.860 11.021
668 2HB HIS 85 1HB HIS 85 -20.073 8.563 10.325
669 HD2 HIS 85 2HD HIS 85 -23.934 8.484 9.632
670 HE1 HIS 85 1HE HIS 85 -22.177 11.759 7.607
671 HE2 HIS 85 2HE HIS 85 -24.333 10.499 8.047
672 H HIS 86 H HIS 86 -22.187 6.420 11.377
673 HA HIS 86 HA HIS 86 -23.684 4.183 10.235
674 1HB HIS 86 2HB HIS 86 -24.573 4.280 12.773
675 2HB HIS 86 1HB HIS 86 -23.105 3.431 12.304
676 HD2 HIS 86 2HD HIS 86 -23.887 7.120 13.515
677 HE1 HIS 86 1HE HIS 86 -20.280 5.722 15.232
678 HE2 HIS 86 2HE HIS 86 -21.814 7.721 14.954
679 H HIS 87 H HIS 87 -24.563 6.196 8.907
680 HA HIS 87 HA HIS 87 -26.347 7.489 8.349
681 1HB HIS 87 2HB HIS 87 -27.345 5.148 9.566
682 2HB HIS 87 1HB HIS 87 -28.315 6.479 10.188
683 HD2 HIS 87 2HD HIS 87 -28.425 4.126 7.362
684 HE1 HIS 87 1HE HIS 87 -30.230 7.669 5.914
685 HE2 HIS 87 2HE HIS 87 -30.011 5.164 5.590
686 H HIS 88 H HIS 88 -28.499 8.498 9.751
687 HA HIS 88 HA HIS 88 -27.428 9.832 12.114
688 1HB HIS 88 2HB HIS 88 -27.344 11.063 9.605
689 2HB HIS 88 1HB HIS 88 -28.739 11.775 10.408
690 HD2 HIS 88 2HD HIS 88 -28.054 13.954 11.770
691 HE1 HIS 88 1HE HIS 88 -24.084 12.821 12.704
692 HE2 HIS 88 2HE HIS 88 -25.779 14.706 12.766
693 H HIS 89 H HIS 89 -29.076 11.068 13.286
694 HA HIS 89 HA HIS 89 -31.587 9.646 13.280
695 1HB HIS 89 2HB HIS 89 -30.069 11.248 15.155
696 2HB HIS 89 1HB HIS 89 -31.756 11.750 15.121
697 HD2 HIS 89 2HD HIS 89 -33.613 9.685 15.787
698 HE1 HIS 89 1HE HIS 89 -30.641 7.331 17.669
699 HE2 HIS 89 2HE HIS 89 -33.122 7.569 17.206
Start of MODEL 9
1 1H MET 1 1HT MET 1 -6.704 -18.064 27.702
2 2H MET 1 2HT MET 1 -7.152 -16.899 28.844
3 3H MET 1 3HT MET 1 -5.722 -16.710 27.960
4 HA MET 1 HA MET 1 -8.442 -16.730 26.786
5 1HB MET 1 2HB MET 1 -6.574 -14.433 27.415
6 2HB MET 1 1HB MET 1 -8.081 -14.289 26.520
7 1HG MET 1 2HG MET 1 -9.136 -15.358 28.637
8 2HG MET 1 1HG MET 1 -7.648 -14.831 29.421
9 1HE MET 1 1HE MET 1 -9.429 -13.411 31.073
10 2HE MET 1 2HE MET 1 -10.731 -14.011 30.047
11 3HE MET 1 3HE MET 1 -10.601 -12.286 30.390
12 H ARG 2 H ARG 2 -8.234 -15.393 24.636
13 HA ARG 2 HA ARG 2 -6.137 -16.716 23.085
14 1HB ARG 2 2HB ARG 2 -8.715 -15.359 22.301
15 2HB ARG 2 1HB ARG 2 -7.531 -15.910 21.123
16 1HG ARG 2 2HG ARG 2 -8.102 -18.031 22.952
17 2HG ARG 2 1HG ARG 2 -9.611 -17.379 22.307
18 1HD ARG 2 2HD ARG 2 -7.245 -18.335 20.700
19 2HD ARG 2 1HD ARG 2 -8.777 -19.184 20.903
20 HE ARG 2 HE ARG 2 -9.675 -16.972 19.832
21 1HH1 ARG 2 1HH1 ARG 2 -6.774 -18.716 19.004
22 2HH1 ARG 2 2HH1 ARG 2 -6.797 -18.221 17.344
23 1HH2 ARG 2 1HH2 ARG 2 -9.710 -16.314 17.648
24 2HH2 ARG 2 2HH2 ARG 2 -8.464 -16.857 16.574
25 H GLY 3 H GLY 3 -4.357 -15.411 23.540
26 1HA GLY 3 2HA GLY 3 -4.003 -13.177 21.842
27 2HA GLY 3 1HA GLY 3 -4.279 -12.623 23.486
28 H SER 4 H SER 4 -2.147 -14.486 21.406
29 HA SER 4 HA SER 4 0.072 -13.850 23.193
30 1HB SER 4 2HB SER 4 -0.901 -16.216 23.649
31 2HB SER 4 1HB SER 4 -0.143 -16.650 22.117
32 HG SER 4 HG SER 4 1.789 -15.556 23.186
33 H ASN 5 H ASN 5 -0.826 -12.925 20.569
34 HA ASN 5 HA ASN 5 0.013 -12.396 18.524
35 1HB ASN 5 2HB ASN 5 2.720 -13.310 19.470
36 2HB ASN 5 1HB ASN 5 2.321 -11.986 18.378
37 1HD2 ASN 5 1HD2 ASN 5 1.067 -10.188 19.359
38 2HD2 ASN 5 2HD2 ASN 5 1.470 -9.720 20.973
39 H ALA 6 H ALA 6 -1.076 -14.033 17.403
40 HA ALA 6 HA ALA 6 0.604 -16.335 16.649
41 1HB ALA 6 1HB ALA 6 -1.405 -17.650 16.343
42 2HB ALA 6 2HB ALA 6 -2.409 -16.261 16.759
43 3HB ALA 6 3HB ALA 6 -1.364 -16.991 17.977
44 HA PRO 7 HA PRO 7 0.254 -13.949 12.758
45 1HB PRO 7 2HB PRO 7 2.308 -15.930 11.966
46 2HB PRO 7 1HB PRO 7 2.339 -14.168 11.847
47 1HG PRO 7 2HG PRO 7 3.811 -15.453 13.668
48 2HG PRO 7 1HG PRO 7 3.039 -13.899 14.037
49 1HD PRO 7 2HD PRO 7 2.205 -16.665 14.822
50 2HD PRO 7 1HD PRO 7 2.169 -15.163 15.771
51 H GLN 8 H GLN 8 -1.446 -14.456 11.533
52 HA GLN 8 HA GLN 8 -2.108 -17.231 10.985
53 1HB GLN 8 2HB GLN 8 -3.515 -14.637 10.334
54 2HB GLN 8 1HB GLN 8 -4.122 -16.220 9.866
55 1HG GLN 8 2HG GLN 8 -3.480 -15.754 12.726
56 2HG GLN 8 1HG GLN 8 -4.933 -15.012 12.058
57 1HE2 GLN 8 1HE2 GLN 8 -5.113 -16.855 14.059
58 2HE2 GLN 8 2HE2 GLN 8 -5.811 -18.315 13.455
59 HA PRO 9 HA PRO 9 0.077 -16.808 7.063
60 1HB PRO 9 2HB PRO 9 0.155 -19.420 6.450
61 2HB PRO 9 1HB PRO 9 1.196 -18.729 7.701
62 1HG PRO 9 2HG PRO 9 -1.362 -20.255 7.997
63 2HG PRO 9 1HG PRO 9 0.140 -20.398 8.929
64 1HD PRO 9 2HD PRO 9 -2.051 -19.001 9.788
65 2HD PRO 9 1HD PRO 9 -0.388 -18.628 10.285
66 H SER 10 H SER 10 -0.495 -16.961 4.881
67 HA SER 10 HA SER 10 -2.970 -18.229 4.096
68 1HB SER 10 2HB SER 10 -3.541 -15.815 3.023
69 2HB SER 10 1HB SER 10 -4.179 -16.356 4.575
70 HG SER 10 HG SER 10 -3.272 -14.330 4.841
71 H HIS 11 H HIS 11 -0.711 -15.692 3.002
72 HA HIS 11 HA HIS 11 -0.036 -17.350 0.692
73 1HB HIS 11 2HB HIS 11 -1.083 -14.522 0.543
74 2HB HIS 11 1HB HIS 11 -0.208 -15.293 -0.776
75 HD2 HIS 11 2HD HIS 11 -1.639 -17.079 -2.286
76 HE1 HIS 11 1HE HIS 11 -5.258 -16.640 -0.139
77 HE2 HIS 11 2HE HIS 11 -4.203 -17.463 -2.293
78 H ILE 12 H ILE 12 0.606 -13.939 1.407
79 HA ILE 12 HA ILE 12 3.464 -14.437 1.177
80 HB ILE 12 HB ILE 12 2.634 -12.518 -0.015
81 1HG1 ILE 12 2HG1 ILE 12 3.829 -10.775 1.867
82 2HG1 ILE 12 1HG1 ILE 12 4.617 -12.338 2.061
83 1HG2 ILE 12 1HG2 ILE 12 1.603 -10.610 1.171
84 2HG2 ILE 12 2HG2 ILE 12 1.565 -11.581 2.642
85 3HG2 ILE 12 3HG2 ILE 12 0.623 -12.075 1.234
86 1HD1 ILE 12 1HD1 ILE 12 5.468 -10.534 0.330
87 2HD1 ILE 12 2HD1 ILE 12 4.265 -11.316 -0.695
88 3HD1 ILE 12 3HD1 ILE 12 5.576 -12.264 0.008
89 H SER 13 H SER 13 4.966 -14.065 2.794
90 HA SER 13 HA SER 13 4.293 -14.650 5.422
91 1HB SER 13 2HB SER 13 6.676 -13.902 3.982
92 2HB SER 13 1HB SER 13 6.631 -13.071 5.537
93 HG SER 13 HG SER 13 7.614 -15.116 5.717
94 H LYS 14 H LYS 14 5.064 -11.483 3.999
95 HA LYS 14 HA LYS 14 3.099 -10.134 5.538
96 1HB LYS 14 2HB LYS 14 4.707 -8.693 6.829
97 2HB LYS 14 1HB LYS 14 4.591 -10.357 7.387
98 1HG LYS 14 2HG LYS 14 6.738 -10.780 6.941
99 2HG LYS 14 1HG LYS 14 6.683 -9.928 5.396
100 1HD LYS 14 2HD LYS 14 7.697 -8.165 6.294
101 2HD LYS 14 1HD LYS 14 6.443 -8.037 7.529
102 1HE LYS 14 2HE LYS 14 7.756 -10.026 8.621
103 2HE LYS 14 1HE LYS 14 9.085 -9.420 7.635
104 1HZ LYS 14 1HZ LYS 14 8.380 -7.159 8.692
105 2HZ LYS 14 2HZ LYS 14 9.370 -8.230 9.549
106 3HZ LYS 14 3HZ LYS 14 7.718 -8.146 9.898
107 H TYR 15 H TYR 15 2.721 -8.079 4.792
108 HA TYR 15 HA TYR 15 4.392 -7.207 2.526
109 1HB TYR 15 2HB TYR 15 1.563 -7.606 2.786
110 2HB TYR 15 1HB TYR 15 1.871 -5.901 2.482
111 HD1 TYR 15 1HD TYR 15 3.887 -5.663 0.583
112 HD2 TYR 15 2HD TYR 15 1.022 -8.791 0.902
113 HE1 TYR 15 1HE TYR 15 4.143 -6.133 -1.817
114 HE2 TYR 15 2HE TYR 15 1.270 -9.272 -1.496
115 HH TYR 15 HH TYR 15 2.518 -8.874 -3.334
116 H ILE 16 H ILE 16 5.382 -5.254 2.697
117 HA ILE 16 HA ILE 16 4.519 -3.506 4.908
118 HB ILE 16 HB ILE 16 7.267 -3.927 3.748
119 1HG1 ILE 16 2HG1 ILE 16 6.521 -5.458 5.545
120 2HG1 ILE 16 1HG1 ILE 16 7.872 -4.448 6.051
121 1HG2 ILE 16 1HG2 ILE 16 7.471 -2.058 5.821
122 2HG2 ILE 16 2HG2 ILE 16 6.142 -1.488 4.811
123 3HG2 ILE 16 3HG2 ILE 16 7.731 -1.774 4.101
124 1HD1 ILE 16 1HD1 ILE 16 5.135 -3.489 6.659
125 2HD1 ILE 16 2HD1 ILE 16 6.629 -3.320 7.580
126 3HD1 ILE 16 3HD1 ILE 16 5.760 -4.855 7.583
127 H LEU 17 H LEU 17 4.095 -1.424 4.532
128 HA LEU 17 HA LEU 17 4.345 -0.488 1.754
129 1HB LEU 17 2HB LEU 17 2.032 -0.830 3.087
130 2HB LEU 17 1HB LEU 17 2.420 0.804 3.592
131 HG LEU 17 HG LEU 17 2.782 0.646 0.767
132 1HD1 LEU 17 1HD1 LEU 17 -0.052 0.008 1.425
133 2HD1 LEU 17 2HD1 LEU 17 1.106 -1.314 1.273
134 3HD1 LEU 17 3HD1 LEU 17 0.839 -0.216 -0.081
135 1HD2 LEU 17 1HD2 LEU 17 0.944 2.091 2.647
136 2HD2 LEU 17 2HD2 LEU 17 0.813 2.285 0.899
137 3HD2 LEU 17 3HD2 LEU 17 2.310 2.720 1.724
138 H ARG 18 H ARG 18 5.915 0.969 1.562
139 HA ARG 18 HA ARG 18 6.388 2.803 3.818
140 1HB ARG 18 2HB ARG 18 8.244 1.506 1.863
141 2HB ARG 18 1HB ARG 18 8.670 3.077 2.527
142 1HG ARG 18 2HG ARG 18 9.275 2.200 4.481
143 2HG ARG 18 1HG ARG 18 7.827 1.196 4.574
144 1HD ARG 18 2HD ARG 18 8.820 -0.506 3.247
145 2HD ARG 18 1HD ARG 18 10.171 0.535 2.805
146 HE ARG 18 HE ARG 18 9.745 -0.715 5.430
147 1HH1 ARG 18 1HH1 ARG 18 11.792 0.974 3.168
148 2HH1 ARG 18 2HH1 ARG 18 13.234 0.730 4.096
149 1HH2 ARG 18 1HH2 ARG 18 11.640 -1.039 6.653
150 2HH2 ARG 18 2HH2 ARG 18 13.147 -0.413 6.075
151 H TRP 19 H TRP 19 6.033 4.914 3.472
152 HA TRP 19 HA TRP 19 6.338 6.025 0.825
153 1HB TRP 19 2HB TRP 19 4.138 6.649 0.392
154 2HB TRP 19 1HB TRP 19 3.970 5.019 1.031
155 HD1 TRP 19 HD TRP 19 3.063 8.626 1.761
156 HE1 TRP 19 1HE TRP 19 1.457 8.700 3.775
157 HE3 TRP 19 3HE TRP 19 3.418 3.752 3.257
158 HZ2 TRP 19 2HZ TRP 19 0.475 6.922 5.739
159 HZ3 TRP 19 3HZ TRP 19 2.115 3.018 5.210
160 HH2 TRP 19 HH TRP 19 0.675 4.570 6.425
161 H ARG 20 H ARG 20 6.157 8.293 0.724
162 HA ARG 20 HA ARG 20 5.931 9.881 3.103
163 1HB ARG 20 2HB ARG 20 8.219 10.791 2.985
164 2HB ARG 20 1HB ARG 20 8.227 9.072 3.353
165 1HG ARG 20 2HG ARG 20 9.252 8.524 1.423
166 2HG ARG 20 1HG ARG 20 8.421 9.778 0.499
167 1HD ARG 20 2HD ARG 20 9.885 11.470 1.393
168 2HD ARG 20 1HD ARG 20 10.643 10.295 2.467
169 HE ARG 20 HE ARG 20 11.606 9.247 0.512
170 1HH1 ARG 20 1HH1 ARG 20 10.188 12.394 0.033
171 2HH1 ARG 20 2HH1 ARG 20 11.104 12.728 -1.399
172 1HH2 ARG 20 1HH2 ARG 20 12.813 9.678 -1.372
173 2HH2 ARG 20 2HH2 ARG 20 12.594 11.186 -2.198
174 HA PRO 21 HA PRO 21 4.693 12.987 0.222
175 1HB PRO 21 2HB PRO 21 6.595 14.883 1.512
176 2HB PRO 21 1HB PRO 21 4.853 15.041 1.245
177 1HG PRO 21 2HG PRO 21 5.759 14.514 3.673
178 2HG PRO 21 1HG PRO 21 4.323 13.670 3.053
179 1HD PRO 21 2HD PRO 21 7.148 12.684 3.257
180 2HD PRO 21 1HD PRO 21 5.633 11.846 3.658
181 H LYS 22 H LYS 22 5.270 13.120 -1.834
182 HA LYS 22 HA LYS 22 8.001 12.827 -2.662
183 1HB LYS 22 2HB LYS 22 5.789 12.021 -3.821
184 2HB LYS 22 1HB LYS 22 5.805 13.630 -4.531
185 1HG LYS 22 2HG LYS 22 8.288 12.973 -5.124
186 2HG LYS 22 1HG LYS 22 7.639 11.338 -4.977
187 1HD LYS 22 2HD LYS 22 5.779 12.850 -6.480
188 2HD LYS 22 1HD LYS 22 7.382 13.185 -7.140
189 1HE LYS 22 2HE LYS 22 6.046 10.507 -6.802
190 2HE LYS 22 1HE LYS 22 6.502 11.302 -8.308
191 1HZ LYS 22 1HZ LYS 22 8.252 10.039 -6.293
192 2HZ LYS 22 2HZ LYS 22 8.863 11.168 -7.395
193 3HZ LYS 22 3HZ LYS 22 8.161 9.734 -7.955
194 H ASN 23 H ASN 23 5.667 15.459 -2.512
195 HA ASN 23 HA ASN 23 7.540 17.302 -3.760
196 1HB ASN 23 2HB ASN 23 5.771 18.831 -3.909
197 2HB ASN 23 1HB ASN 23 4.987 17.271 -4.139
198 1HD2 ASN 23 1HD2 ASN 23 3.674 16.443 -2.520
199 2HD2 ASN 23 2HD2 ASN 23 3.072 17.426 -1.233
200 H SER 24 H SER 24 6.254 16.522 -0.604
201 HA SER 24 HA SER 24 7.675 18.787 0.590
202 1HB SER 24 2HB SER 24 5.238 17.472 1.204
203 2HB SER 24 1HB SER 24 6.341 17.170 2.546
204 HG SER 24 HG SER 24 6.360 19.760 1.628
205 H VAL 25 H VAL 25 8.779 18.290 2.721
206 HA VAL 25 HA VAL 25 10.338 15.803 2.450
207 HB VAL 25 HB VAL 25 11.826 17.590 2.024
208 1HG1 VAL 25 1HG1 VAL 25 10.405 18.952 4.271
209 2HG1 VAL 25 2HG1 VAL 25 10.760 19.541 2.647
210 3HG1 VAL 25 3HG1 VAL 25 12.048 19.430 3.847
211 1HG2 VAL 25 1HG2 VAL 25 12.357 17.236 4.940
212 2HG2 VAL 25 2HG2 VAL 25 13.478 17.201 3.580
213 3HG2 VAL 25 3HG2 VAL 25 12.405 15.833 3.871
214 H GLY 26 H GLY 26 10.356 14.432 4.127
215 1HA GLY 26 2HA GLY 26 10.066 15.273 6.843
216 2HA GLY 26 1HA GLY 26 8.584 14.556 6.231
217 H ARG 27 H ARG 27 8.370 12.488 6.727
218 HA ARG 27 HA ARG 27 10.734 10.755 6.612
219 1HB ARG 27 2HB ARG 27 8.915 11.193 8.941
220 2HB ARG 27 1HB ARG 27 9.576 9.585 8.678
221 1HG ARG 27 2HG ARG 27 11.830 10.458 8.794
222 2HG ARG 27 1HG ARG 27 11.207 12.100 8.967
223 1HD ARG 27 2HD ARG 27 10.330 10.004 10.898
224 2HD ARG 27 1HD ARG 27 11.939 10.704 11.069
225 HE ARG 27 HE ARG 27 10.282 12.858 10.835
226 1HH1 ARG 27 1HH1 ARG 27 10.440 10.099 12.960
227 2HH1 ARG 27 2HH1 ARG 27 9.731 10.932 14.302
228 1HH2 ARG 27 1HH2 ARG 27 9.353 13.959 12.596
229 2HH2 ARG 27 2HH2 ARG 27 9.112 13.126 14.095
230 H TRP 28 H TRP 28 10.109 8.406 6.652
231 HA TRP 28 HA TRP 28 7.956 7.995 4.763
232 1HB TRP 28 2HB TRP 28 9.985 6.101 5.964
233 2HB TRP 28 1HB TRP 28 8.790 5.631 4.761
234 HD1 TRP 28 HD TRP 28 11.644 8.261 5.052
235 HE1 TRP 28 1HE TRP 28 12.775 8.445 2.747
236 HE3 TRP 28 3HE TRP 28 8.685 5.016 2.436
237 HZ2 TRP 28 2HZ TRP 28 12.454 7.355 0.161
238 HZ3 TRP 28 3HZ TRP 28 9.164 4.642 0.052
239 HH2 TRP 28 HH TRP 28 11.010 5.789 -1.061
240 H LYS 29 H LYS 29 6.905 5.605 5.242
241 HA LYS 29 HA LYS 29 6.018 5.421 8.002
242 1HB LYS 29 2HB LYS 29 4.504 7.011 6.493
243 2HB LYS 29 1HB LYS 29 3.836 5.469 5.970
244 1HG LYS 29 2HG LYS 29 2.760 5.134 7.904
245 2HG LYS 29 1HG LYS 29 4.098 5.754 8.874
246 1HD LYS 29 2HD LYS 29 3.420 8.002 8.532
247 2HD LYS 29 1HD LYS 29 2.278 7.536 7.268
248 1HE LYS 29 2HE LYS 29 1.936 6.367 9.982
249 2HE LYS 29 1HE LYS 29 1.488 8.054 9.740
250 1HZ LYS 29 1HZ LYS 29 0.122 7.251 7.813
251 2HZ LYS 29 2HZ LYS 29 -0.432 6.775 9.339
252 3HZ LYS 29 3HZ LYS 29 0.394 5.672 8.359
253 H GLU 30 H GLU 30 5.252 3.364 8.530
254 HA GLU 30 HA GLU 30 5.492 1.379 6.366
255 1HB GLU 30 2HB GLU 30 6.102 0.862 9.272
256 2HB GLU 30 1HB GLU 30 6.459 -0.172 7.897
257 1HG GLU 30 2HG GLU 30 8.416 0.808 7.579
258 2HG GLU 30 1HG GLU 30 7.677 2.409 7.562
259 H ALA 31 H ALA 31 3.846 0.077 6.018
260 HA ALA 31 HA ALA 31 1.843 -0.338 8.122
261 1HB ALA 31 1HB ALA 31 1.078 0.185 5.256
262 2HB ALA 31 2HB ALA 31 1.116 1.446 6.489
263 3HB ALA 31 3HB ALA 31 0.019 0.077 6.664
264 H THR 32 H THR 32 1.908 -2.450 8.508
265 HA THR 32 HA THR 32 2.657 -4.312 6.415
266 HB THR 32 HB THR 32 1.907 -5.093 9.220
267 HG1 THR 32 1HG THR 32 3.595 -4.012 9.882
268 1HG2 THR 32 1HG2 THR 32 2.194 -6.957 7.754
269 2HG2 THR 32 2HG2 THR 32 3.650 -6.851 8.742
270 3HG2 THR 32 3HG2 THR 32 3.672 -6.274 7.076
271 H ILE 33 H ILE 33 1.404 -5.863 5.535
272 HA ILE 33 HA ILE 33 -1.410 -6.011 6.368
273 HB ILE 33 HB ILE 33 -0.568 -6.147 3.478
274 1HG1 ILE 33 2HG1 ILE 33 -1.961 -3.732 4.512
275 2HG1 ILE 33 1HG1 ILE 33 -0.245 -3.878 4.874
276 1HG2 ILE 33 1HG2 ILE 33 -3.026 -6.529 4.940
277 2HG2 ILE 33 2HG2 ILE 33 -2.659 -6.868 3.249
278 3HG2 ILE 33 3HG2 ILE 33 -3.195 -5.257 3.730
279 1HD1 ILE 33 1HD1 ILE 33 -1.332 -4.140 2.092
280 2HD1 ILE 33 2HD1 ILE 33 0.336 -3.870 2.597
281 3HD1 ILE 33 3HD1 ILE 33 -0.864 -2.592 2.795
282 HA PRO 34 HA PRO 34 -0.115 -10.316 6.396
283 1HB PRO 34 2HB PRO 34 -2.723 -10.906 7.529
284 2HB PRO 34 1HB PRO 34 -1.136 -10.994 8.295
285 1HG PRO 34 2HG PRO 34 -3.022 -9.150 8.974
286 2HG PRO 34 1HG PRO 34 -1.279 -8.872 9.139
287 1HD PRO 34 2HD PRO 34 -3.154 -7.938 6.998
288 2HD PRO 34 1HD PRO 34 -1.823 -7.067 7.791
289 H GLY 35 H GLY 35 -0.247 -10.472 4.081
290 1HA GLY 35 2HA GLY 35 -1.012 -11.580 2.214
291 2HA GLY 35 1HA GLY 35 -2.288 -12.265 3.210
292 H HIS 36 H HIS 36 -4.272 -11.178 3.396
293 HA HIS 36 HA HIS 36 -4.789 -8.666 2.183
294 1HB HIS 36 2HB HIS 36 -4.459 -10.241 0.185
295 2HB HIS 36 1HB HIS 36 -5.977 -10.985 0.671
296 HD2 HIS 36 2HD HIS 36 -7.464 -8.040 1.357
297 HE1 HIS 36 1HE HIS 36 -6.852 -7.495 -2.794
298 HE2 HIS 36 2HE HIS 36 -8.258 -6.827 -0.793
299 H LEU 37 H LEU 37 -5.884 -8.247 4.085
300 HA LEU 37 HA LEU 37 -8.038 -9.979 4.948
301 1HB LEU 37 2HB LEU 37 -8.019 -7.389 6.228
302 2HB LEU 37 1HB LEU 37 -7.797 -8.980 6.928
303 HG LEU 37 HG LEU 37 -5.362 -8.716 5.929
304 1HD1 LEU 37 1HD1 LEU 37 -5.609 -5.893 6.685
305 2HD1 LEU 37 2HD1 LEU 37 -6.356 -6.312 5.144
306 3HD1 LEU 37 3HD1 LEU 37 -4.647 -6.651 5.416
307 1HD2 LEU 37 1HD2 LEU 37 -5.229 -9.007 8.147
308 2HD2 LEU 37 2HD2 LEU 37 -6.615 -7.964 8.468
309 3HD2 LEU 37 3HD2 LEU 37 -5.023 -7.256 8.194
310 H ASN 38 H ASN 38 -7.622 -6.936 3.278
311 HA ASN 38 HA ASN 38 -10.055 -7.010 1.937
312 1HB ASN 38 2HB ASN 38 -11.442 -5.429 3.069
313 2HB ASN 38 1HB ASN 38 -10.947 -6.617 4.270
314 1HD2 ASN 38 1HD2 ASN 38 -8.489 -5.825 4.991
315 2HD2 ASN 38 2HD2 ASN 38 -8.533 -4.250 5.696
316 H SER 39 H SER 39 -10.605 -4.189 1.871
317 HA SER 39 HA SER 39 -8.371 -3.359 0.220
318 1HB SER 39 2HB SER 39 -10.710 -3.059 -0.557
319 2HB SER 39 1HB SER 39 -10.987 -1.938 0.776
320 HG SER 39 HG SER 39 -10.189 -0.460 -0.467
321 H TYR 40 H TYR 40 -6.678 -2.532 1.280
322 HA TYR 40 HA TYR 40 -7.031 -0.980 3.698
323 1HB TYR 40 2HB TYR 40 -5.109 -2.672 3.070
324 2HB TYR 40 1HB TYR 40 -4.390 -1.252 2.319
325 HD1 TYR 40 1HD TYR 40 -4.645 0.928 4.002
326 HD2 TYR 40 2HD TYR 40 -4.286 -3.151 5.160
327 HE1 TYR 40 1HE TYR 40 -3.759 1.632 6.184
328 HE2 TYR 40 2HE TYR 40 -3.400 -2.456 7.347
329 HH TYR 40 HH TYR 40 -2.191 0.469 7.998
330 H THR 41 H THR 41 -7.378 1.127 3.704
331 HA THR 41 HA THR 41 -6.322 2.749 1.478
332 HB THR 41 HB THR 41 -8.820 3.447 3.012
333 HG1 THR 41 1HG THR 41 -9.947 2.169 1.740
334 1HG2 THR 41 1HG2 THR 41 -8.953 5.232 1.662
335 2HG2 THR 41 2HG2 THR 41 -8.537 4.289 0.231
336 3HG2 THR 41 3HG2 THR 41 -7.262 4.911 1.280
337 H ILE 42 H ILE 42 -4.929 4.278 2.075
338 HA ILE 42 HA ILE 42 -4.609 4.892 4.903
339 HB ILE 42 HB ILE 42 -2.950 5.631 2.490
340 1HG1 ILE 42 2HG1 ILE 42 -1.599 4.153 4.561
341 2HG1 ILE 42 1HG1 ILE 42 -3.069 3.307 4.087
342 1HG2 ILE 42 1HG2 ILE 42 -2.675 6.428 5.369
343 2HG2 ILE 42 2HG2 ILE 42 -2.618 7.443 3.927
344 3HG2 ILE 42 3HG2 ILE 42 -1.280 6.355 4.294
345 1HD1 ILE 42 1HD1 ILE 42 -0.661 3.103 2.844
346 2HD1 ILE 42 2HD1 ILE 42 -1.492 4.289 1.838
347 3HD1 ILE 42 3HD1 ILE 42 -2.217 2.706 2.116
348 H LYS 43 H LYS 43 -5.481 6.623 5.820
349 HA LYS 43 HA LYS 43 -6.200 8.910 4.104
350 1HB LYS 43 2HB LYS 43 -7.659 8.492 6.657
351 2HB LYS 43 1HB LYS 43 -8.231 9.147 5.130
352 1HG LYS 43 2HG LYS 43 -8.930 7.152 4.391
353 2HG LYS 43 1HG LYS 43 -7.529 6.304 5.048
354 1HD LYS 43 2HD LYS 43 -8.556 6.554 7.320
355 2HD LYS 43 1HD LYS 43 -10.004 7.178 6.528
356 1HE LYS 43 2HE LYS 43 -10.684 5.132 5.957
357 2HE LYS 43 1HE LYS 43 -9.092 4.699 5.336
358 1HZ LYS 43 1HZ LYS 43 -10.253 3.673 7.560
359 2HZ LYS 43 2HZ LYS 43 -9.190 4.821 8.200
360 3HZ LYS 43 3HZ LYS 43 -8.603 3.596 7.192
361 H GLY 44 H GLY 44 -4.663 10.393 4.465
362 1HA GLY 44 2HA GLY 44 -4.519 11.750 6.938
363 2HA GLY 44 1HA GLY 44 -3.131 10.683 6.783
364 H LEU 45 H LEU 45 -4.194 11.690 3.771
365 HA LEU 45 HA LEU 45 -1.957 13.560 3.568
366 1HB LEU 45 2HB LEU 45 -3.671 12.563 1.304
367 2HB LEU 45 1HB LEU 45 -2.068 13.253 1.214
368 HG LEU 45 HG LEU 45 -1.591 11.037 0.869
369 1HD1 LEU 45 1HD1 LEU 45 -0.610 10.076 2.846
370 2HD1 LEU 45 2HD1 LEU 45 -1.586 11.117 3.881
371 3HD1 LEU 45 3HD1 LEU 45 -0.339 11.819 2.850
372 1HD2 LEU 45 1HD2 LEU 45 -3.043 9.577 2.823
373 2HD2 LEU 45 2HD2 LEU 45 -3.172 9.507 1.067
374 3HD2 LEU 45 3HD2 LEU 45 -4.159 10.650 1.977
375 H LYS 46 H LYS 46 -3.341 14.688 1.093
376 HA LYS 46 HA LYS 46 -5.628 16.105 2.037
377 1HB LYS 46 2HB LYS 46 -4.217 17.459 3.316
378 2HB LYS 46 1HB LYS 46 -2.936 17.429 2.114
379 1HG LYS 46 2HG LYS 46 -4.578 18.749 0.637
380 2HG LYS 46 1HG LYS 46 -5.450 19.045 2.143
381 1HD LYS 46 2HD LYS 46 -3.591 20.142 3.113
382 2HD LYS 46 1HD LYS 46 -2.521 19.633 1.803
383 1HE LYS 46 2HE LYS 46 -4.874 21.502 1.524
384 2HE LYS 46 1HE LYS 46 -3.184 21.995 1.607
385 1HZ LYS 46 1HZ LYS 46 -4.578 20.549 -0.553
386 2HZ LYS 46 2HZ LYS 46 -2.897 20.450 -0.397
387 3HZ LYS 46 3HZ LYS 46 -3.633 21.951 -0.649
388 HA PRO 47 HA PRO 47 -6.311 16.292 -2.328
389 1HB PRO 47 2HB PRO 47 -7.698 18.854 -1.734
390 2HB PRO 47 1HB PRO 47 -8.292 17.426 -2.587
391 1HG PRO 47 2HG PRO 47 -9.098 17.959 -0.106
392 2HG PRO 47 1HG PRO 47 -8.776 16.292 -0.621
393 1HD PRO 47 2HD PRO 47 -7.109 18.114 1.064
394 2HD PRO 47 1HD PRO 47 -7.371 16.364 1.213
395 H GLY 48 H GLY 48 -4.207 16.716 -3.041
396 1HA GLY 48 2HA GLY 48 -3.446 18.553 -4.663
397 2HA GLY 48 1HA GLY 48 -3.425 19.552 -3.216
398 H VAL 49 H VAL 49 -2.515 17.251 -1.580
399 HA VAL 49 HA VAL 49 0.329 17.510 -2.173
400 HB VAL 49 HB VAL 49 -0.694 16.010 0.199
401 1HG1 VAL 49 1HG1 VAL 49 1.481 18.016 0.314
402 2HG1 VAL 49 2HG1 VAL 49 1.784 16.538 -0.600
403 3HG1 VAL 49 3HG1 VAL 49 1.341 16.445 1.105
404 1HG2 VAL 49 1HG2 VAL 49 -2.101 17.869 0.389
405 2HG2 VAL 49 2HG2 VAL 49 -0.862 18.980 -0.193
406 3HG2 VAL 49 3HG2 VAL 49 -0.717 18.257 1.409
407 H VAL 50 H VAL 50 1.438 15.946 -3.159
408 HA VAL 50 HA VAL 50 0.182 13.312 -3.428
409 HB VAL 50 HB VAL 50 2.478 14.507 -4.983
410 1HG1 VAL 50 1HG1 VAL 50 1.475 11.805 -4.759
411 2HG1 VAL 50 2HG1 VAL 50 2.916 12.408 -5.577
412 3HG1 VAL 50 3HG1 VAL 50 1.365 12.402 -6.415
413 1HG2 VAL 50 1HG2 VAL 50 0.528 14.207 -6.788
414 2HG2 VAL 50 2HG2 VAL 50 0.747 15.686 -5.852
415 3HG2 VAL 50 3HG2 VAL 50 -0.457 14.497 -5.354
416 H TYR 51 H TYR 51 0.897 11.655 -2.295
417 HA TYR 51 HA TYR 51 3.550 11.839 -1.040
418 1HB TYR 51 2HB TYR 51 1.100 10.237 -0.287
419 2HB TYR 51 1HB TYR 51 2.667 10.040 0.488
420 HD1 TYR 51 1HD TYR 51 3.081 11.231 2.424
421 HD2 TYR 51 2HD TYR 51 0.205 12.730 -0.328
422 HE1 TYR 51 1HE TYR 51 2.527 13.040 3.997
423 HE2 TYR 51 2HE TYR 51 -0.360 14.540 1.236
424 HH TYR 51 HH TYR 51 0.515 14.539 4.445
425 H GLU 52 H GLU 52 5.102 10.678 -1.952
426 HA GLU 52 HA GLU 52 4.450 8.571 -3.825
427 1HB GLU 52 2HB GLU 52 6.561 8.821 -4.636
428 2HB GLU 52 1HB GLU 52 6.440 10.367 -3.811
429 1HG GLU 52 2HG GLU 52 7.800 9.681 -2.057
430 2HG GLU 52 1HG GLU 52 7.560 7.972 -2.413
431 H GLY 53 H GLY 53 5.090 6.367 -3.627
432 1HA GLY 53 2HA GLY 53 6.300 5.422 -1.203
433 2HA GLY 53 1HA GLY 53 4.568 5.145 -1.232
434 H GLN 54 H GLN 54 6.448 3.106 -1.057
435 HA GLN 54 HA GLN 54 5.927 1.678 -3.566
436 1HB GLN 54 2HB GLN 54 8.265 0.540 -2.618
437 2HB GLN 54 1HB GLN 54 8.134 1.648 -3.977
438 1HG GLN 54 2HG GLN 54 8.327 3.486 -2.156
439 2HG GLN 54 1HG GLN 54 8.999 2.183 -1.175
440 1HE2 GLN 54 1HE2 GLN 54 10.142 4.673 -2.420
441 2HE2 GLN 54 2HE2 GLN 54 11.543 4.124 -3.270
442 H LEU 55 H LEU 55 5.661 -0.597 -3.325
443 HA LEU 55 HA LEU 55 4.990 -1.382 -0.568
444 1HB LEU 55 2HB LEU 55 3.059 -1.304 -2.036
445 2HB LEU 55 1HB LEU 55 3.862 -2.349 -3.193
446 HG LEU 55 HG LEU 55 3.881 -4.136 -1.409
447 1HD1 LEU 55 1HD1 LEU 55 3.374 -3.505 0.660
448 2HD1 LEU 55 2HD1 LEU 55 1.700 -3.361 0.122
449 3HD1 LEU 55 3HD1 LEU 55 2.756 -1.949 0.106
450 1HD2 LEU 55 1HD2 LEU 55 2.026 -4.948 -2.349
451 2HD2 LEU 55 2HD2 LEU 55 1.969 -3.433 -3.250
452 3HD2 LEU 55 3HD2 LEU 55 1.038 -3.611 -1.763
453 H ILE 56 H ILE 56 6.601 -2.542 0.259
454 HA ILE 56 HA ILE 56 8.143 -4.345 -1.436
455 HB ILE 56 HB ILE 56 8.530 -3.647 1.477
456 1HG1 ILE 56 2HG1 ILE 56 10.619 -2.502 0.326
457 2HG1 ILE 56 1HG1 ILE 56 9.551 -2.468 -1.074
458 1HG2 ILE 56 1HG2 ILE 56 9.872 -5.424 1.502
459 2HG2 ILE 56 2HG2 ILE 56 10.933 -4.529 0.415
460 3HG2 ILE 56 3HG2 ILE 56 9.735 -5.643 -0.244
461 1HD1 ILE 56 1HD1 ILE 56 8.331 -0.802 -0.238
462 2HD1 ILE 56 2HD1 ILE 56 9.693 -0.553 0.854
463 3HD1 ILE 56 3HD1 ILE 56 8.304 -1.504 1.379
464 H SER 57 H SER 57 8.129 -6.539 -1.276
465 HA SER 57 HA SER 57 6.246 -7.706 0.662
466 1HB SER 57 2HB SER 57 5.162 -8.753 -0.990
467 2HB SER 57 1HB SER 57 6.116 -7.815 -2.139
468 HG SER 57 HG SER 57 6.475 -9.927 -2.634
469 H ILE 58 H ILE 58 7.096 -9.044 2.054
470 HA ILE 58 HA ILE 58 9.690 -10.291 1.432
471 HB ILE 58 HB ILE 58 8.621 -9.844 4.213
472 1HG1 ILE 58 2HG1 ILE 58 10.739 -8.086 3.052
473 2HG1 ILE 58 1HG1 ILE 58 9.059 -7.742 2.651
474 1HG2 ILE 58 1HG2 ILE 58 10.315 -11.458 4.254
475 2HG2 ILE 58 2HG2 ILE 58 11.134 -9.956 4.679
476 3HG2 ILE 58 3HG2 ILE 58 11.280 -10.608 3.048
477 1HD1 ILE 58 1HD1 ILE 58 10.087 -6.525 4.637
478 2HD1 ILE 58 2HD1 ILE 58 9.961 -8.065 5.489
479 3HD1 ILE 58 3HD1 ILE 58 8.509 -7.277 4.869
480 H GLN 59 H GLN 59 9.580 -12.387 1.048
481 HA GLN 59 HA GLN 59 7.267 -13.923 1.886
482 1HB GLN 59 2HB GLN 59 9.640 -15.040 0.419
483 2HB GLN 59 1HB GLN 59 7.965 -15.570 0.365
484 1HG GLN 59 2HG GLN 59 8.352 -12.825 -0.546
485 2HG GLN 59 1HG GLN 59 9.211 -14.026 -1.509
486 1HE2 GLN 59 1HE2 GLN 59 6.196 -14.570 0.193
487 2HE2 GLN 59 2HE2 GLN 59 5.221 -14.794 -1.216
488 H GLN 60 H GLN 60 7.756 -16.244 2.643
489 HA GLN 60 HA GLN 60 9.066 -16.071 5.155
490 1HB GLN 60 2HB GLN 60 8.672 -18.639 5.091
491 2HB GLN 60 1HB GLN 60 7.286 -17.561 5.165
492 1HG GLN 60 2HG GLN 60 6.660 -17.992 2.999
493 2HG GLN 60 1HG GLN 60 8.287 -18.460 2.509
494 1HE2 GLN 60 1HE2 GLN 60 8.362 -20.508 1.973
495 2HE2 GLN 60 2HE2 GLN 60 7.537 -21.805 2.762
496 H TYR 61 H TYR 61 10.106 -16.989 1.998
497 HA TYR 61 HA TYR 61 12.547 -18.207 3.079
498 1HB TYR 61 2HB TYR 61 10.943 -18.650 0.696
499 2HB TYR 61 1HB TYR 61 12.643 -18.423 0.304
500 HD1 TYR 61 1HD TYR 61 10.557 -20.282 2.797
501 HD2 TYR 61 2HD TYR 61 13.965 -20.311 0.248
502 HE1 TYR 61 1HE TYR 61 11.010 -22.612 3.438
503 HE2 TYR 61 2HE TYR 61 14.426 -22.642 0.881
504 HH TYR 61 HH TYR 61 12.208 -24.465 2.925
505 H GLY 62 H GLY 62 11.547 -15.226 2.375
506 1HA GLY 62 2HA GLY 62 13.280 -13.488 2.508
507 2HA GLY 62 1HA GLY 62 14.198 -14.425 1.342
508 H HIS 63 H HIS 63 14.335 -13.166 -0.407
509 HA HIS 63 HA HIS 63 13.732 -12.039 -2.289
510 1HB HIS 63 2HB HIS 63 11.378 -13.686 -1.681
511 2HB HIS 63 1HB HIS 63 11.025 -12.256 -2.645
512 HD2 HIS 63 2HD HIS 63 12.735 -12.108 -5.037
513 HE1 HIS 63 1HE HIS 63 12.987 -16.330 -5.185
514 HE2 HIS 63 2HE HIS 63 13.506 -14.171 -6.409
515 H GLN 64 H GLN 64 12.289 -10.227 -3.105
516 HA GLN 64 HA GLN 64 10.888 -8.688 -1.122
517 1HB GLN 64 2HB GLN 64 13.682 -8.060 -1.859
518 2HB GLN 64 1HB GLN 64 12.569 -6.699 -1.852
519 1HG GLN 64 2HG GLN 64 12.566 -6.604 0.361
520 2HG GLN 64 1HG GLN 64 12.235 -8.332 0.502
521 1HE2 GLN 64 1HE2 GLN 64 14.372 -5.986 1.284
522 2HE2 GLN 64 2HE2 GLN 64 15.800 -6.937 1.483
523 H GLU 65 H GLU 65 9.148 -8.209 -2.273
524 HA GLU 65 HA GLU 65 9.422 -7.426 -5.091
525 1HB GLU 65 2HB GLU 65 7.713 -9.187 -3.962
526 2HB GLU 65 1HB GLU 65 6.746 -7.725 -3.842
527 1HG GLU 65 2HG GLU 65 7.979 -8.128 -6.463
528 2HG GLU 65 1HG GLU 65 6.833 -9.384 -5.997
529 H VAL 66 H VAL 66 9.533 -5.305 -5.493
530 HA VAL 66 HA VAL 66 8.018 -3.498 -3.724
531 HB VAL 66 HB VAL 66 10.612 -2.818 -5.095
532 1HG1 VAL 66 1HG1 VAL 66 8.933 -1.408 -3.026
533 2HG1 VAL 66 2HG1 VAL 66 9.284 -0.871 -4.669
534 3HG1 VAL 66 3HG1 VAL 66 10.571 -0.924 -3.464
535 1HG2 VAL 66 1HG2 VAL 66 11.023 -2.844 -2.344
536 2HG2 VAL 66 2HG2 VAL 66 11.634 -4.012 -3.517
537 3HG2 VAL 66 3HG2 VAL 66 10.114 -4.318 -2.676
538 H THR 67 H THR 67 6.807 -1.938 -4.603
539 HA THR 67 HA THR 67 6.970 -1.415 -7.483
540 HB THR 67 HB THR 67 4.432 -2.123 -5.997
541 HG1 THR 67 1HG THR 67 4.465 -3.618 -7.982
542 1HG2 THR 67 1HG2 THR 67 4.210 -0.188 -7.604
543 2HG2 THR 67 2HG2 THR 67 3.194 -1.586 -7.959
544 3HG2 THR 67 3HG2 THR 67 4.666 -1.305 -8.890
545 H ARG 68 H ARG 68 7.004 0.716 -7.866
546 HA ARG 68 HA ARG 68 6.510 2.565 -5.692
547 1HB ARG 68 2HB ARG 68 7.323 3.168 -8.539
548 2HB ARG 68 1HB ARG 68 7.440 4.250 -7.158
549 1HG ARG 68 2HG ARG 68 8.840 1.918 -6.457
550 2HG ARG 68 1HG ARG 68 9.320 2.320 -8.108
551 1HD ARG 68 2HD ARG 68 9.218 4.446 -6.006
552 2HD ARG 68 1HD ARG 68 10.605 3.361 -6.102
553 HE ARG 68 HE ARG 68 11.158 4.286 -8.190
554 1HH1 ARG 68 1HH1 ARG 68 8.332 5.764 -6.786
555 2HH1 ARG 68 2HH1 ARG 68 8.386 7.151 -7.820
556 1HH2 ARG 68 1HH2 ARG 68 11.238 6.112 -9.554
557 2HH2 ARG 68 2HH2 ARG 68 10.036 7.350 -9.393
558 H PHE 69 H PHE 69 4.964 4.178 -5.635
559 HA PHE 69 HA PHE 69 3.066 4.502 -7.785
560 1HB PHE 69 2HB PHE 69 1.139 4.059 -6.103
561 2HB PHE 69 1HB PHE 69 1.913 2.687 -6.887
562 HD1 PHE 69 1HD PHE 69 2.035 4.718 -3.763
563 HD2 PHE 69 2HD PHE 69 2.749 0.952 -5.613
564 HE1 PHE 69 1HE PHE 69 2.534 3.734 -1.555
565 HE2 PHE 69 2HE PHE 69 3.244 -0.037 -3.419
566 HZ PHE 69 HZ PHE 69 3.136 1.351 -1.387
567 H ASP 70 H ASP 70 1.575 6.251 -7.432
568 HA ASP 70 HA ASP 70 2.373 8.087 -5.268
569 1HB ASP 70 2HB ASP 70 1.579 9.866 -7.068
570 2HB ASP 70 1HB ASP 70 3.229 9.250 -7.069
571 H PHE 71 H PHE 71 0.712 8.435 -3.914
572 HA PHE 71 HA PHE 71 -1.987 8.633 -5.031
573 1HB PHE 71 2HB PHE 71 -2.923 7.103 -3.428
574 2HB PHE 71 1HB PHE 71 -1.613 6.287 -4.277
575 HD1 PHE 71 1HD PHE 71 -2.964 7.134 -1.114
576 HD2 PHE 71 2HD PHE 71 0.692 6.279 -3.117
577 HE1 PHE 71 1HE PHE 71 -1.908 6.607 1.046
578 HE2 PHE 71 2HE PHE 71 1.757 5.748 -0.961
579 HZ PHE 71 HZ PHE 71 0.454 5.912 1.125
580 H THR 72 H THR 72 -3.506 9.688 -3.746
581 HA THR 72 HA THR 72 -2.656 10.972 -1.281
582 HB THR 72 HB THR 72 -2.569 13.105 -1.979
583 HG1 THR 72 1HG THR 72 -4.626 13.590 -2.363
584 1HG2 THR 72 1HG2 THR 72 -1.407 11.671 -3.871
585 2HG2 THR 72 2HG2 THR 72 -1.578 13.419 -4.021
586 3HG2 THR 72 3HG2 THR 72 -2.704 12.347 -4.856
587 H THR 73 H THR 73 -4.558 12.222 -0.317
588 HA THR 73 HA THR 73 -6.673 10.668 0.270
589 HB THR 73 HB THR 73 -8.022 12.714 0.713
590 HG1 THR 73 1HG THR 73 -7.479 14.559 -0.184
591 1HG2 THR 73 1HG2 THR 73 -6.493 13.684 2.366
592 2HG2 THR 73 2HG2 THR 73 -5.135 12.869 1.588
593 3HG2 THR 73 3HG2 THR 73 -6.404 11.923 2.366
594 H THR 74 H THR 74 -6.924 13.214 -2.221
595 HA THR 74 HA THR 74 -8.759 11.470 -3.716
596 HB THR 74 HB THR 74 -10.485 12.815 -3.255
597 HG1 THR 74 1HG THR 74 -10.351 13.838 -5.147
598 1HG2 THR 74 1HG2 THR 74 -10.194 15.040 -2.117
599 2HG2 THR 74 2HG2 THR 74 -8.455 14.752 -2.152
600 3HG2 THR 74 3HG2 THR 74 -9.511 13.664 -1.252
601 H SER 75 H SER 75 -6.263 13.840 -3.646
602 HA SER 75 HA SER 75 -6.301 14.373 -6.481
603 1HB SER 75 2HB SER 75 -5.174 15.615 -4.217
604 2HB SER 75 1HB SER 75 -3.807 15.074 -5.194
605 HG SER 75 HG SER 75 -5.531 16.110 -6.873
606 H THR 76 H THR 76 -4.048 14.132 -7.613
607 HA THR 76 HA THR 76 -2.423 11.910 -6.898
608 HB THR 76 HB THR 76 -3.317 10.911 -9.341
609 HG1 THR 76 1HG THR 76 -5.248 12.326 -8.707
610 1HG2 THR 76 1HG2 THR 76 -4.541 9.557 -7.100
611 2HG2 THR 76 2HG2 THR 76 -2.877 10.014 -6.733
612 3HG2 THR 76 3HG2 THR 76 -3.229 9.024 -8.149
613 H SER 77 H SER 77 -0.514 11.997 -7.963
614 HA SER 77 HA SER 77 0.025 14.224 -9.643
615 1HB SER 77 2HB SER 77 1.834 13.529 -8.302
616 2HB SER 77 1HB SER 77 1.644 11.838 -8.768
617 HG SER 77 HG SER 77 3.391 13.244 -9.776
618 H THR 78 H THR 78 0.888 10.882 -10.462
619 HA THR 78 HA THR 78 0.864 9.750 -12.439
620 HB THR 78 HB THR 78 -1.637 11.203 -13.227
621 HG1 THR 78 1HG THR 78 -2.496 9.304 -11.760
622 1HG2 THR 78 1HG2 THR 78 -2.291 8.846 -13.834
623 2HG2 THR 78 2HG2 THR 78 -0.639 8.367 -13.441
624 3HG2 THR 78 3HG2 THR 78 -0.940 9.510 -14.751
625 HA PRO 79 HA PRO 79 2.774 13.317 -14.710
626 1HB PRO 79 2HB PRO 79 4.717 11.672 -15.804
627 2HB PRO 79 1HB PRO 79 4.897 12.602 -14.314
628 1HG PRO 79 2HG PRO 79 4.208 9.719 -14.680
629 2HG PRO 79 1HG PRO 79 5.246 10.481 -13.460
630 1HD PRO 79 2HD PRO 79 2.754 9.680 -12.879
631 2HD PRO 79 1HD PRO 79 3.444 11.154 -12.168
632 H GLY 80 H GLY 80 1.848 10.078 -15.733
633 1HA GLY 80 2HA GLY 80 0.193 10.454 -17.723
634 2HA GLY 80 1HA GLY 80 1.670 10.972 -18.522
635 H SER 81 H SER 81 0.023 8.250 -17.028
636 HA SER 81 HA SER 81 1.153 6.426 -18.917
637 1HB SER 81 2HB SER 81 2.942 6.755 -17.068
638 2HB SER 81 1HB SER 81 1.852 5.808 -16.055
639 HG SER 81 HG SER 81 3.296 4.421 -17.047
640 H ARG 82 H ARG 82 0.010 6.113 -15.557
641 HA ARG 82 HA ARG 82 -2.251 4.523 -16.578
642 1HB ARG 82 2HB ARG 82 -2.122 3.659 -14.058
643 2HB ARG 82 1HB ARG 82 -1.186 2.922 -15.350
644 1HG ARG 82 2HG ARG 82 0.721 4.399 -14.710
645 2HG ARG 82 1HG ARG 82 -0.228 4.919 -13.315
646 1HD ARG 82 2HD ARG 82 -0.176 2.796 -12.341
647 2HD ARG 82 1HD ARG 82 0.280 2.014 -13.854
648 HE ARG 82 HE ARG 82 2.309 3.802 -13.102
649 1HH1 ARG 82 1HH1 ARG 82 0.900 0.775 -12.106
650 2HH1 ARG 82 2HH1 ARG 82 2.360 0.184 -11.388
651 1HH2 ARG 82 1HH2 ARG 82 4.236 3.032 -12.157
652 2HH2 ARG 82 2HH2 ARG 82 4.256 1.466 -11.416
653 H SER 83 H SER 83 -3.527 6.431 -16.760
654 HA SER 83 HA SER 83 -4.340 7.589 -14.177
655 1HB SER 83 2HB SER 83 -3.325 9.132 -15.938
656 2HB SER 83 1HB SER 83 -4.791 8.856 -16.880
657 HG SER 83 HG SER 83 -5.894 9.541 -14.839
658 H HIS 84 H HIS 84 -5.979 7.697 -17.310
659 HA HIS 84 HA HIS 84 -8.216 6.195 -16.119
660 1HB HIS 84 2HB HIS 84 -9.559 7.743 -17.829
661 2HB HIS 84 1HB HIS 84 -9.223 8.248 -16.176
662 HD2 HIS 84 2HD HIS 84 -7.842 10.553 -15.940
663 HE1 HIS 84 1HE HIS 84 -6.718 10.888 -20.006
664 HE2 HIS 84 2HE HIS 84 -6.563 11.952 -17.710
665 H HIS 85 H HIS 85 -7.891 4.262 -17.105
666 HA HIS 85 HA HIS 85 -8.678 4.004 -19.827
667 1HB HIS 85 2HB HIS 85 -6.180 4.698 -19.885
668 2HB HIS 85 1HB HIS 85 -5.869 3.059 -19.321
669 HD2 HIS 85 2HD HIS 85 -4.738 2.186 -21.661
670 HE1 HIS 85 1HE HIS 85 -8.169 2.834 -24.052
671 HE2 HIS 85 2HE HIS 85 -5.921 1.672 -23.912
672 H HIS 86 H HIS 86 -6.390 2.060 -17.927
673 HA HIS 86 HA HIS 86 -8.385 0.226 -17.024
674 1HB HIS 86 2HB HIS 86 -7.656 -0.205 -19.621
675 2HB HIS 86 1HB HIS 86 -6.511 -1.232 -18.763
676 HD2 HIS 86 2HD HIS 86 -10.279 -1.039 -19.605
677 HE1 HIS 86 1HE HIS 86 -9.548 -4.611 -17.458
678 HE2 HIS 86 2HE HIS 86 -11.305 -3.216 -18.639
679 H HIS 87 H HIS 87 -7.637 -1.068 -15.396
680 HA HIS 87 HA HIS 87 -5.030 -0.433 -14.347
681 1HB HIS 87 2HB HIS 87 -7.414 -1.076 -13.184
682 2HB HIS 87 1HB HIS 87 -6.551 -2.604 -13.062
683 HD2 HIS 87 2HD HIS 87 -7.208 -0.726 -10.421
684 HE1 HIS 87 1HE HIS 87 -3.019 -0.125 -10.489
685 HE2 HIS 87 2HE HIS 87 -5.100 -0.108 -9.040
686 H HIS 88 H HIS 88 -3.714 -1.329 -16.024
687 HA HIS 88 HA HIS 88 -3.203 -4.175 -15.612
688 1HB HIS 88 2HB HIS 88 -4.342 -3.044 -18.023
689 2HB HIS 88 1HB HIS 88 -2.791 -3.806 -18.359
690 HD2 HIS 88 2HD HIS 88 -6.400 -4.749 -17.280
691 HE1 HIS 88 1HE HIS 88 -4.194 -8.291 -17.982
692 HE2 HIS 88 2HE HIS 88 -6.512 -7.308 -17.682
693 H HIS 89 H HIS 89 -1.196 -4.642 -17.306
694 HA HIS 89 HA HIS 89 0.971 -3.195 -16.163
695 1HB HIS 89 2HB HIS 89 2.287 -4.525 -17.968
696 2HB HIS 89 1HB HIS 89 1.508 -5.406 -16.659
697 HD2 HIS 89 2HD HIS 89 0.706 -4.539 -20.424
698 HE1 HIS 89 1HE HIS 89 -1.113 -8.203 -19.339
699 HE2 HIS 89 2HE HIS 89 -0.837 -6.483 -21.180
Start of MODEL 10
1 1H MET 1 1HT MET 1 -16.493 -2.992 6.304
2 2H MET 1 2HT MET 1 -17.542 -1.918 5.525
3 3H MET 1 3HT MET 1 -18.041 -3.501 5.850
4 HA MET 1 HA MET 1 -18.616 -1.375 7.377
5 1HB MET 1 2HB MET 1 -18.437 -4.329 7.876
6 2HB MET 1 1HB MET 1 -18.979 -3.254 9.158
7 1HG MET 1 2HG MET 1 -20.514 -2.421 7.081
8 2HG MET 1 1HG MET 1 -20.350 -4.139 6.729
9 1HE MET 1 1HE MET 1 -22.104 -1.570 7.992
10 2HE MET 1 2HE MET 1 -22.578 -1.822 9.672
11 3HE MET 1 3HE MET 1 -23.551 -2.505 8.369
12 H ARG 2 H ARG 2 -18.045 -2.397 10.062
13 HA ARG 2 HA ARG 2 -15.756 -0.824 10.630
14 1HB ARG 2 2HB ARG 2 -17.884 -1.823 12.086
15 2HB ARG 2 1HB ARG 2 -16.508 -2.709 12.729
16 1HG ARG 2 2HG ARG 2 -16.463 -0.902 14.100
17 2HG ARG 2 1HG ARG 2 -15.438 -0.295 12.798
18 1HD ARG 2 2HD ARG 2 -16.987 1.203 12.094
19 2HD ARG 2 1HD ARG 2 -18.343 0.153 12.501
20 HE ARG 2 HE ARG 2 -18.359 1.030 14.649
21 1HH1 ARG 2 1HH1 ARG 2 -15.663 2.272 12.823
22 2HH1 ARG 2 2HH1 ARG 2 -15.303 3.524 13.964
23 1HH2 ARG 2 1HH2 ARG 2 -17.890 2.672 16.156
24 2HH2 ARG 2 2HH2 ARG 2 -16.568 3.751 15.859
25 H GLY 3 H GLY 3 -16.320 -4.330 10.574
26 1HA GLY 3 2HA GLY 3 -14.774 -6.001 10.086
27 2HA GLY 3 1HA GLY 3 -13.509 -4.782 10.047
28 H SER 4 H SER 4 -13.607 -7.444 11.355
29 HA SER 4 HA SER 4 -13.357 -6.639 14.170
30 1HB SER 4 2HB SER 4 -13.343 -9.498 13.254
31 2HB SER 4 1HB SER 4 -13.852 -8.828 14.804
32 HG SER 4 HG SER 4 -15.430 -9.487 12.912
33 H ASN 5 H ASN 5 -11.845 -9.573 13.204
34 HA ASN 5 HA ASN 5 -9.263 -8.517 12.618
35 1HB ASN 5 2HB ASN 5 -9.946 -8.662 15.358
36 2HB ASN 5 1HB ASN 5 -8.837 -9.993 15.049
37 1HD2 ASN 5 1HD2 ASN 5 -6.735 -9.553 14.399
38 2HD2 ASN 5 2HD2 ASN 5 -6.032 -7.984 14.562
39 H ALA 6 H ALA 6 -8.768 -9.957 11.086
40 HA ALA 6 HA ALA 6 -8.508 -12.751 11.826
41 1HB ALA 6 1HB ALA 6 -9.726 -12.985 9.349
42 2HB ALA 6 2HB ALA 6 -10.704 -11.790 10.202
43 3HB ALA 6 3HB ALA 6 -10.437 -13.382 10.914
44 HA PRO 7 HA PRO 7 -5.303 -11.258 8.826
45 1HB PRO 7 2HB PRO 7 -3.150 -11.325 10.401
46 2HB PRO 7 1HB PRO 7 -4.285 -9.970 10.465
47 1HG PRO 7 2HG PRO 7 -3.992 -12.290 12.324
48 2HG PRO 7 1HG PRO 7 -4.337 -10.591 12.694
49 1HD PRO 7 2HD PRO 7 -6.232 -12.621 12.539
50 2HD PRO 7 1HD PRO 7 -6.579 -10.885 12.431
51 H GLN 8 H GLN 8 -4.106 -12.604 7.570
52 HA GLN 8 HA GLN 8 -2.966 -15.039 8.592
53 1HB GLN 8 2HB GLN 8 -4.235 -16.412 6.810
54 2HB GLN 8 1HB GLN 8 -5.061 -16.026 8.313
55 1HG GLN 8 2HG GLN 8 -6.528 -14.611 7.309
56 2HG GLN 8 1HG GLN 8 -5.391 -14.150 6.043
57 1HE2 GLN 8 1HE2 GLN 8 -8.155 -15.821 6.679
58 2HE2 GLN 8 2HE2 GLN 8 -8.177 -16.873 5.310
59 HA PRO 9 HA PRO 9 -0.109 -13.720 5.413
60 1HB PRO 9 2HB PRO 9 0.946 -16.470 5.795
61 2HB PRO 9 1HB PRO 9 1.788 -14.919 5.881
62 1HG PRO 9 2HG PRO 9 1.222 -16.294 8.094
63 2HG PRO 9 1HG PRO 9 1.117 -14.524 8.063
64 1HD PRO 9 2HD PRO 9 -1.071 -16.559 7.962
65 2HD PRO 9 1HD PRO 9 -1.027 -14.988 8.788
66 H SER 10 H SER 10 -1.023 -17.168 5.298
67 HA SER 10 HA SER 10 -1.734 -18.513 3.615
68 1HB SER 10 2HB SER 10 -3.125 -16.022 3.270
69 2HB SER 10 1HB SER 10 -2.788 -16.728 1.691
70 HG SER 10 HG SER 10 -3.656 -18.572 3.501
71 H HIS 11 H HIS 11 -1.251 -15.825 1.401
72 HA HIS 11 HA HIS 11 0.590 -17.427 -0.149
73 1HB HIS 11 2HB HIS 11 -0.949 -14.922 -0.565
74 2HB HIS 11 1HB HIS 11 0.535 -15.107 -1.493
75 HD2 HIS 11 2HD HIS 11 0.237 -18.287 -2.219
76 HE1 HIS 11 1HE HIS 11 -3.435 -17.046 -3.919
77 HE2 HIS 11 2HE HIS 11 -1.604 -18.801 -3.972
78 H ILE 12 H ILE 12 0.749 -14.012 0.873
79 HA ILE 12 HA ILE 12 3.657 -14.175 0.905
80 HB ILE 12 HB ILE 12 2.699 -12.230 -0.170
81 1HG1 ILE 12 2HG1 ILE 12 3.601 -10.521 1.817
82 2HG1 ILE 12 1HG1 ILE 12 4.421 -12.036 2.184
83 1HG2 ILE 12 1HG2 ILE 12 0.793 -12.368 1.848
84 2HG2 ILE 12 2HG2 ILE 12 0.910 -11.146 0.581
85 3HG2 ILE 12 3HG2 ILE 12 1.660 -10.863 2.152
86 1HD1 ILE 12 1HD1 ILE 12 4.940 -11.977 -0.396
87 2HD1 ILE 12 2HD1 ILE 12 5.929 -11.098 0.771
88 3HD1 ILE 12 3HD1 ILE 12 4.696 -10.246 -0.159
89 H SER 13 H SER 13 4.942 -13.868 2.692
90 HA SER 13 HA SER 13 3.904 -14.654 5.207
91 1HB SER 13 2HB SER 13 6.553 -13.741 4.181
92 2HB SER 13 1HB SER 13 6.283 -13.686 5.923
93 HG SER 13 HG SER 13 6.611 -15.750 5.932
94 H LYS 14 H LYS 14 5.100 -11.549 3.964
95 HA LYS 14 HA LYS 14 3.225 -10.095 5.568
96 1HB LYS 14 2HB LYS 14 4.866 -8.815 6.863
97 2HB LYS 14 1HB LYS 14 4.928 -10.525 7.264
98 1HG LYS 14 2HG LYS 14 6.782 -10.165 5.198
99 2HG LYS 14 1HG LYS 14 7.008 -8.805 6.300
100 1HD LYS 14 2HD LYS 14 6.674 -11.080 7.916
101 2HD LYS 14 1HD LYS 14 7.779 -11.551 6.623
102 1HE LYS 14 2HE LYS 14 8.915 -9.253 7.190
103 2HE LYS 14 1HE LYS 14 8.097 -9.471 8.737
104 1HZ LYS 14 1HZ LYS 14 9.229 -11.886 8.314
105 2HZ LYS 14 2HZ LYS 14 9.893 -10.659 9.271
106 3HZ LYS 14 3HZ LYS 14 10.390 -10.840 7.665
107 H TYR 15 H TYR 15 2.922 -8.026 4.865
108 HA TYR 15 HA TYR 15 4.539 -7.156 2.557
109 1HB TYR 15 2HB TYR 15 1.673 -7.512 2.891
110 2HB TYR 15 1HB TYR 15 2.056 -5.859 2.434
111 HD1 TYR 15 1HD TYR 15 1.032 -8.821 1.129
112 HD2 TYR 15 2HD TYR 15 4.061 -5.901 0.495
113 HE1 TYR 15 1HE TYR 15 1.205 -9.520 -1.222
114 HE2 TYR 15 2HE TYR 15 4.244 -6.593 -1.857
115 HH TYR 15 HH TYR 15 1.976 -8.794 -3.307
116 H ILE 16 H ILE 16 5.518 -5.187 2.785
117 HA ILE 16 HA ILE 16 4.561 -3.487 4.995
118 HB ILE 16 HB ILE 16 7.354 -3.747 3.884
119 1HG1 ILE 16 2HG1 ILE 16 6.676 -5.457 5.530
120 2HG1 ILE 16 1HG1 ILE 16 7.927 -4.398 6.173
121 1HG2 ILE 16 1HG2 ILE 16 7.845 -1.685 4.575
122 2HG2 ILE 16 2HG2 ILE 16 7.172 -2.013 6.171
123 3HG2 ILE 16 3HG2 ILE 16 6.128 -1.416 4.880
124 1HD1 ILE 16 1HD1 ILE 16 5.978 -5.032 7.695
125 2HD1 ILE 16 2HD1 ILE 16 5.028 -3.901 6.732
126 3HD1 ILE 16 3HD1 ILE 16 6.443 -3.333 7.618
127 H LEU 17 H LEU 17 4.008 -1.463 4.608
128 HA LEU 17 HA LEU 17 4.322 -0.476 1.857
129 1HB LEU 17 2HB LEU 17 2.008 -0.869 3.221
130 2HB LEU 17 1HB LEU 17 2.354 0.797 3.640
131 HG LEU 17 HG LEU 17 2.713 0.487 0.820
132 1HD1 LEU 17 1HD1 LEU 17 -0.130 -0.011 1.327
133 2HD1 LEU 17 2HD1 LEU 17 0.922 -1.389 1.653
134 3HD1 LEU 17 3HD1 LEU 17 0.927 -0.634 0.060
135 1HD2 LEU 17 1HD2 LEU 17 1.335 2.186 2.735
136 2HD2 LEU 17 2HD2 LEU 17 0.423 1.969 1.240
137 3HD2 LEU 17 3HD2 LEU 17 2.073 2.591 1.184
138 H ARG 18 H ARG 18 5.857 1.017 1.701
139 HA ARG 18 HA ARG 18 6.265 2.828 3.981
140 1HB ARG 18 2HB ARG 18 8.164 1.688 1.959
141 2HB ARG 18 1HB ARG 18 8.536 3.212 2.756
142 1HG ARG 18 2HG ARG 18 9.032 2.222 4.707
143 2HG ARG 18 1HG ARG 18 7.731 1.040 4.558
144 1HD ARG 18 2HD ARG 18 9.148 -0.510 3.833
145 2HD ARG 18 1HD ARG 18 9.728 0.558 2.556
146 HE ARG 18 HE ARG 18 11.500 1.207 3.921
147 1HH1 ARG 18 1HH1 ARG 18 9.345 -0.963 5.591
148 2HH1 ARG 18 2HH1 ARG 18 10.464 -1.294 6.872
149 1HH2 ARG 18 1HH2 ARG 18 12.978 0.781 5.606
150 2HH2 ARG 18 2HH2 ARG 18 12.528 -0.302 6.880
151 H TRP 19 H TRP 19 5.833 4.933 3.684
152 HA TRP 19 HA TRP 19 5.962 6.033 0.994
153 1HB TRP 19 2HB TRP 19 3.728 6.814 0.900
154 2HB TRP 19 1HB TRP 19 3.636 5.116 1.348
155 HD1 TRP 19 HD TRP 19 2.968 8.617 2.709
156 HE1 TRP 19 1HE TRP 19 1.571 8.417 4.862
157 HE3 TRP 19 3HE TRP 19 3.156 3.544 3.330
158 HZ2 TRP 19 2HZ TRP 19 0.667 6.377 6.593
159 HZ3 TRP 19 3HZ TRP 19 1.998 2.550 5.260
160 HH2 TRP 19 HH TRP 19 0.780 3.938 6.857
161 H ARG 20 H ARG 20 5.876 8.295 0.870
162 HA ARG 20 HA ARG 20 5.895 9.930 3.225
163 1HB ARG 20 2HB ARG 20 8.151 10.653 3.176
164 2HB ARG 20 1HB ARG 20 8.224 8.898 3.101
165 1HG ARG 20 2HG ARG 20 9.665 9.277 1.428
166 2HG ARG 20 1HG ARG 20 8.200 9.498 0.469
167 1HD ARG 20 2HD ARG 20 8.570 11.692 0.206
168 2HD ARG 20 1HD ARG 20 9.036 11.906 1.893
169 HE ARG 20 HE ARG 20 11.112 10.581 0.575
170 1HH1 ARG 20 1HH1 ARG 20 9.538 13.690 0.579
171 2HH1 ARG 20 2HH1 ARG 20 10.952 14.549 0.065
172 1HH2 ARG 20 1HH2 ARG 20 12.978 11.706 -0.100
173 2HH2 ARG 20 2HH2 ARG 20 12.906 13.422 -0.321
174 HA PRO 21 HA PRO 21 4.402 12.918 0.344
175 1HB PRO 21 2HB PRO 21 6.177 14.903 1.677
176 2HB PRO 21 1HB PRO 21 4.431 14.960 1.399
177 1HG PRO 21 2HG PRO 21 5.354 14.447 3.824
178 2HG PRO 21 1HG PRO 21 3.972 13.534 3.185
179 1HD PRO 21 2HD PRO 21 6.847 12.706 3.396
180 2HD PRO 21 1HD PRO 21 5.378 11.775 3.763
181 H LYS 22 H LYS 22 5.072 12.771 -1.690
182 HA LYS 22 HA LYS 22 7.800 12.825 -2.483
183 1HB LYS 22 2HB LYS 22 5.648 11.789 -3.623
184 2HB LYS 22 1HB LYS 22 5.604 13.346 -4.437
185 1HG LYS 22 2HG LYS 22 8.125 12.805 -4.921
186 2HG LYS 22 1HG LYS 22 7.589 11.145 -4.655
187 1HD LYS 22 2HD LYS 22 5.936 12.848 -6.435
188 2HD LYS 22 1HD LYS 22 7.500 12.308 -7.050
189 1HE LYS 22 2HE LYS 22 5.394 10.485 -5.897
190 2HE LYS 22 1HE LYS 22 5.608 10.794 -7.620
191 1HZ LYS 22 1HZ LYS 22 8.063 10.082 -7.009
192 2HZ LYS 22 2HZ LYS 22 6.878 8.947 -7.416
193 3HZ LYS 22 3HZ LYS 22 7.258 9.227 -5.791
194 H ASN 23 H ASN 23 5.215 15.216 -2.437
195 HA ASN 23 HA ASN 23 6.820 17.188 -3.821
196 1HB ASN 23 2HB ASN 23 4.030 16.894 -3.057
197 2HB ASN 23 1HB ASN 23 4.640 18.506 -2.693
198 1HD2 ASN 23 1HD2 ASN 23 2.712 18.362 -4.499
199 2HD2 ASN 23 2HD2 ASN 23 3.317 18.615 -6.098
200 H SER 24 H SER 24 5.791 16.482 -0.535
201 HA SER 24 HA SER 24 7.183 18.846 0.468
202 1HB SER 24 2HB SER 24 4.846 17.739 1.264
203 2HB SER 24 1HB SER 24 5.957 16.942 2.379
204 HG SER 24 HG SER 24 6.653 18.968 3.069
205 H VAL 25 H VAL 25 8.070 18.027 2.908
206 HA VAL 25 HA VAL 25 9.937 15.823 2.384
207 HB VAL 25 HB VAL 25 11.284 17.714 1.911
208 1HG1 VAL 25 1HG1 VAL 25 10.821 19.743 2.672
209 2HG1 VAL 25 2HG1 VAL 25 11.194 19.241 4.320
210 3HG1 VAL 25 3HG1 VAL 25 9.558 19.055 3.690
211 1HG2 VAL 25 1HG2 VAL 25 11.812 16.962 4.786
212 2HG2 VAL 25 2HG2 VAL 25 12.974 17.658 3.657
213 3HG2 VAL 25 3HG2 VAL 25 12.331 16.041 3.375
214 H GLY 26 H GLY 26 9.210 14.375 3.833
215 1HA GLY 26 2HA GLY 26 9.233 15.196 6.659
216 2HA GLY 26 1HA GLY 26 7.846 14.324 6.023
217 H ARG 27 H ARG 27 7.972 12.429 7.087
218 HA ARG 27 HA ARG 27 10.439 10.864 6.710
219 1HB ARG 27 2HB ARG 27 8.596 10.714 9.101
220 2HB ARG 27 1HB ARG 27 10.098 9.827 8.874
221 1HG ARG 27 2HG ARG 27 11.139 11.457 9.947
222 2HG ARG 27 1HG ARG 27 10.786 12.514 8.579
223 1HD ARG 27 2HD ARG 27 8.842 12.063 10.827
224 2HD ARG 27 1HD ARG 27 10.062 13.335 10.869
225 HE ARG 27 HE ARG 27 8.966 14.389 9.038
226 1HH1 ARG 27 1HH1 ARG 27 7.258 11.644 10.340
227 2HH1 ARG 27 2HH1 ARG 27 5.735 12.103 9.653
228 1HH2 ARG 27 1HH2 ARG 27 6.965 15.001 8.133
229 2HH2 ARG 27 2HH2 ARG 27 5.569 14.011 8.398
230 H TRP 28 H TRP 28 10.191 8.621 6.406
231 HA TRP 28 HA TRP 28 7.940 7.880 4.859
232 1HB TRP 28 2HB TRP 28 10.227 6.288 6.020
233 2HB TRP 28 1HB TRP 28 8.980 5.565 5.008
234 HD1 TRP 28 HD TRP 28 11.888 8.075 4.825
235 HE1 TRP 28 1HE TRP 28 12.600 8.310 2.362
236 HE3 TRP 28 3HE TRP 28 8.189 5.303 2.642
237 HZ2 TRP 28 2HZ TRP 28 11.711 7.435 -0.170
238 HZ3 TRP 28 3HZ TRP 28 8.192 5.052 0.195
239 HH2 TRP 28 HH TRP 28 9.917 6.097 -1.181
240 H LYS 29 H LYS 29 6.857 5.649 5.364
241 HA LYS 29 HA LYS 29 6.202 5.357 8.193
242 1HB LYS 29 2HB LYS 29 4.447 6.564 6.216
243 2HB LYS 29 1HB LYS 29 3.724 5.129 6.930
244 1HG LYS 29 2HG LYS 29 4.954 6.916 8.883
245 2HG LYS 29 1HG LYS 29 3.628 7.646 7.978
246 1HD LYS 29 2HD LYS 29 2.193 5.741 8.572
247 2HD LYS 29 1HD LYS 29 3.521 5.046 9.507
248 1HE LYS 29 2HE LYS 29 2.830 6.214 11.265
249 2HE LYS 29 1HE LYS 29 3.243 7.693 10.398
250 1HZ LYS 29 1HZ LYS 29 1.027 7.773 9.494
251 2HZ LYS 29 2HZ LYS 29 0.937 7.672 11.179
252 3HZ LYS 29 3HZ LYS 29 0.622 6.305 10.233
253 H GLU 30 H GLU 30 5.325 3.283 8.700
254 HA GLU 30 HA GLU 30 5.608 1.338 6.501
255 1HB GLU 30 2HB GLU 30 6.218 0.877 9.424
256 2HB GLU 30 1HB GLU 30 6.451 -0.273 8.116
257 1HG GLU 30 2HG GLU 30 8.031 1.460 7.109
258 2HG GLU 30 1HG GLU 30 7.974 2.243 8.688
259 H ALA 31 H ALA 31 4.062 -0.146 6.197
260 HA ALA 31 HA ALA 31 1.967 -0.498 8.211
261 1HB ALA 31 1HB ALA 31 1.223 -0.072 5.333
262 2HB ALA 31 2HB ALA 31 1.319 1.267 6.478
263 3HB ALA 31 3HB ALA 31 0.183 -0.053 6.757
264 H THR 32 H THR 32 2.015 -2.602 8.617
265 HA THR 32 HA THR 32 2.858 -4.495 6.600
266 HB THR 32 HB THR 32 1.864 -5.260 9.329
267 HG1 THR 32 1HG THR 32 4.539 -4.986 9.266
268 1HG2 THR 32 1HG2 THR 32 3.884 -6.424 7.408
269 2HG2 THR 32 2HG2 THR 32 2.312 -7.098 7.836
270 3HG2 THR 32 3HG2 THR 32 3.600 -7.032 9.039
271 H ILE 33 H ILE 33 1.637 -5.986 5.587
272 HA ILE 33 HA ILE 33 -1.236 -6.086 6.197
273 HB ILE 33 HB ILE 33 -0.437 -6.453 3.368
274 1HG1 ILE 33 2HG1 ILE 33 0.851 -4.429 4.151
275 2HG1 ILE 33 1HG1 ILE 33 -0.293 -4.122 2.849
276 1HG2 ILE 33 1HG2 ILE 33 -2.602 -4.868 3.347
277 2HG2 ILE 33 2HG2 ILE 33 -2.793 -5.617 4.932
278 3HG2 ILE 33 3HG2 ILE 33 -2.682 -6.624 3.488
279 1HD1 ILE 33 1HD1 ILE 33 -0.132 -2.470 4.825
280 2HD1 ILE 33 2HD1 ILE 33 -1.092 -3.670 5.690
281 3HD1 ILE 33 3HD1 ILE 33 -1.722 -2.932 4.217
282 HA PRO 34 HA PRO 34 -0.019 -10.421 6.203
283 1HB PRO 34 2HB PRO 34 -2.209 -11.374 7.437
284 2HB PRO 34 1HB PRO 34 -0.957 -10.486 8.314
285 1HG PRO 34 2HG PRO 34 -3.613 -9.539 7.322
286 2HG PRO 34 1HG PRO 34 -2.798 -9.185 8.855
287 1HD PRO 34 2HD PRO 34 -2.825 -7.492 6.689
288 2HD PRO 34 1HD PRO 34 -1.574 -7.485 7.947
289 H GLY 35 H GLY 35 -0.152 -10.628 3.903
290 1HA GLY 35 2HA GLY 35 -0.975 -11.632 2.005
291 2HA GLY 35 1HA GLY 35 -2.214 -12.359 3.017
292 H HIS 36 H HIS 36 -4.208 -11.350 3.241
293 HA HIS 36 HA HIS 36 -4.752 -8.807 2.034
294 1HB HIS 36 2HB HIS 36 -4.672 -10.606 0.139
295 2HB HIS 36 1HB HIS 36 -6.242 -11.088 0.777
296 HD2 HIS 36 2HD HIS 36 -8.319 -9.680 -0.187
297 HE1 HIS 36 1HE HIS 36 -6.078 -6.462 -1.782
298 HE2 HIS 36 2HE HIS 36 -8.405 -7.405 -1.432
299 H LEU 37 H LEU 37 -5.321 -8.706 4.331
300 HA LEU 37 HA LEU 37 -7.450 -10.186 5.436
301 1HB LEU 37 2HB LEU 37 -7.300 -8.771 7.286
302 2HB LEU 37 1HB LEU 37 -5.671 -8.806 6.638
303 HG LEU 37 HG LEU 37 -7.661 -6.577 6.184
304 1HD1 LEU 37 1HD1 LEU 37 -5.558 -7.033 8.232
305 2HD1 LEU 37 2HD1 LEU 37 -7.127 -6.241 8.377
306 3HD1 LEU 37 3HD1 LEU 37 -5.781 -5.400 7.606
307 1HD2 LEU 37 1HD2 LEU 37 -5.640 -5.356 5.388
308 2HD2 LEU 37 2HD2 LEU 37 -6.129 -6.694 4.349
309 3HD2 LEU 37 3HD2 LEU 37 -4.757 -6.880 5.442
310 H ASN 38 H ASN 38 -7.331 -7.224 3.575
311 HA ASN 38 HA ASN 38 -9.900 -7.347 2.582
312 1HB ASN 38 2HB ASN 38 -11.049 -5.546 3.885
313 2HB ASN 38 1HB ASN 38 -10.774 -7.016 4.812
314 1HD2 ASN 38 1HD2 ASN 38 -9.156 -3.941 4.077
315 2HD2 ASN 38 2HD2 ASN 38 -8.577 -3.670 5.681
316 H SER 39 H SER 39 -10.647 -4.755 2.218
317 HA SER 39 HA SER 39 -8.555 -3.786 0.506
318 1HB SER 39 2HB SER 39 -11.396 -3.079 1.036
319 2HB SER 39 1HB SER 39 -10.365 -1.805 0.386
320 HG SER 39 HG SER 39 -10.775 -2.735 -1.454
321 H TYR 40 H TYR 40 -6.849 -2.863 1.456
322 HA TYR 40 HA TYR 40 -7.194 -1.169 3.795
323 1HB TYR 40 2HB TYR 40 -5.303 -2.933 3.350
324 2HB TYR 40 1HB TYR 40 -4.557 -1.622 2.445
325 HD1 TYR 40 1HD TYR 40 -4.781 -3.148 5.587
326 HD2 TYR 40 2HD TYR 40 -4.447 0.682 3.763
327 HE1 TYR 40 1HE TYR 40 -3.858 -2.238 7.677
328 HE2 TYR 40 2HE TYR 40 -3.525 1.601 5.848
329 HH TYR 40 HH TYR 40 -2.278 -0.170 8.246
330 H THR 41 H THR 41 -7.595 0.921 3.574
331 HA THR 41 HA THR 41 -6.546 2.317 1.199
332 HB THR 41 HB THR 41 -8.943 3.185 2.813
333 HG1 THR 41 1HG THR 41 -9.305 2.074 0.288
334 1HG2 THR 41 1HG2 THR 41 -9.430 4.584 0.909
335 2HG2 THR 41 2HG2 THR 41 -8.081 3.891 0.007
336 3HG2 THR 41 3HG2 THR 41 -7.772 4.889 1.429
337 H ILE 42 H ILE 42 -5.235 4.012 1.494
338 HA ILE 42 HA ILE 42 -4.717 4.882 4.251
339 HB ILE 42 HB ILE 42 -3.039 5.194 1.757
340 1HG1 ILE 42 2HG1 ILE 42 -1.802 3.786 3.943
341 2HG1 ILE 42 1HG1 ILE 42 -3.349 3.041 3.555
342 1HG2 ILE 42 1HG2 ILE 42 -2.899 6.488 4.382
343 2HG2 ILE 42 2HG2 ILE 42 -2.190 6.966 2.839
344 3HG2 ILE 42 3HG2 ILE 42 -1.387 5.758 3.842
345 1HD1 ILE 42 1HD1 ILE 42 -1.155 3.587 1.571
346 2HD1 ILE 42 2HD1 ILE 42 -2.669 2.738 1.264
347 3HD1 ILE 42 3HD1 ILE 42 -1.467 2.035 2.345
348 H LYS 43 H LYS 43 -5.192 6.885 4.916
349 HA LYS 43 HA LYS 43 -5.737 8.961 2.909
350 1HB LYS 43 2HB LYS 43 -7.503 8.248 5.256
351 2HB LYS 43 1HB LYS 43 -7.689 9.701 4.284
352 1HG LYS 43 2HG LYS 43 -7.897 8.114 2.288
353 2HG LYS 43 1HG LYS 43 -8.139 6.848 3.493
354 1HD LYS 43 2HD LYS 43 -10.252 7.473 3.819
355 2HD LYS 43 1HD LYS 43 -9.770 9.148 4.088
356 1HE LYS 43 2HE LYS 43 -10.133 9.747 1.915
357 2HE LYS 43 1HE LYS 43 -9.770 8.136 1.297
358 1HZ LYS 43 1HZ LYS 43 -12.168 8.462 2.942
359 2HZ LYS 43 2HZ LYS 43 -11.888 7.427 1.634
360 3HZ LYS 43 3HZ LYS 43 -12.211 9.064 1.361
361 H GLY 44 H GLY 44 -6.454 11.018 4.570
362 1HA GLY 44 2HA GLY 44 -5.731 12.328 6.402
363 2HA GLY 44 1HA GLY 44 -4.379 11.229 6.625
364 H LEU 45 H LEU 45 -4.628 11.887 3.388
365 HA LEU 45 HA LEU 45 -2.264 13.492 3.403
366 1HB LEU 45 2HB LEU 45 -4.072 12.873 1.068
367 2HB LEU 45 1HB LEU 45 -2.408 13.419 0.990
368 HG LEU 45 HG LEU 45 -2.141 11.177 0.562
369 1HD1 LEU 45 1HD1 LEU 45 -1.357 10.016 2.583
370 2HD1 LEU 45 2HD1 LEU 45 -2.079 11.284 3.573
371 3HD1 LEU 45 3HD1 LEU 45 -0.751 11.668 2.479
372 1HD2 LEU 45 1HD2 LEU 45 -4.208 10.221 0.608
373 2HD2 LEU 45 2HD2 LEU 45 -4.593 10.861 2.204
374 3HD2 LEU 45 3HD2 LEU 45 -3.508 9.480 2.047
375 H LYS 46 H LYS 46 -2.550 15.315 1.402
376 HA LYS 46 HA LYS 46 -4.756 17.068 2.212
377 1HB LYS 46 2HB LYS 46 -1.963 18.146 1.909
378 2HB LYS 46 1HB LYS 46 -3.366 18.938 2.608
379 1HG LYS 46 2HG LYS 46 -3.163 17.844 4.607
380 2HG LYS 46 1HG LYS 46 -2.340 16.457 3.890
381 1HD LYS 46 2HD LYS 46 -0.446 18.183 3.415
382 2HD LYS 46 1HD LYS 46 -1.242 19.123 4.679
383 1HE LYS 46 2HE LYS 46 -1.118 16.995 6.090
384 2HE LYS 46 1HE LYS 46 0.022 16.405 4.879
385 1HZ LYS 46 1HZ LYS 46 0.726 19.021 5.695
386 2HZ LYS 46 2HZ LYS 46 1.629 17.595 5.800
387 3HZ LYS 46 3HZ LYS 46 0.574 18.023 7.051
388 HA PRO 47 HA PRO 47 -5.098 17.855 -2.117
389 1HB PRO 47 2HB PRO 47 -6.199 20.333 -2.117
390 2HB PRO 47 1HB PRO 47 -7.099 18.885 -1.651
391 1HG PRO 47 2HG PRO 47 -5.779 20.936 0.086
392 2HG PRO 47 1HG PRO 47 -7.371 20.175 0.267
393 1HD PRO 47 2HD PRO 47 -5.208 19.382 1.688
394 2HD PRO 47 1HD PRO 47 -6.489 18.257 1.190
395 H GLY 48 H GLY 48 -3.468 18.280 -3.455
396 1HA GLY 48 2HA GLY 48 -2.232 19.980 -4.664
397 2HA GLY 48 1HA GLY 48 -2.029 20.836 -3.143
398 H VAL 49 H VAL 49 -1.525 18.003 -1.963
399 HA VAL 49 HA VAL 49 1.290 17.848 -2.829
400 HB VAL 49 HB VAL 49 1.190 18.762 -0.588
401 1HG1 VAL 49 1HG1 VAL 49 -0.224 18.116 1.003
402 2HG1 VAL 49 2HG1 VAL 49 0.159 16.413 0.768
403 3HG1 VAL 49 3HG1 VAL 49 -1.041 17.195 -0.260
404 1HG2 VAL 49 1HG2 VAL 49 2.034 16.084 0.198
405 2HG2 VAL 49 2HG2 VAL 49 2.963 17.580 0.087
406 3HG2 VAL 49 3HG2 VAL 49 2.695 16.598 -1.354
407 H VAL 50 H VAL 50 1.922 15.963 -3.632
408 HA VAL 50 HA VAL 50 0.142 13.657 -3.363
409 HB VAL 50 HB VAL 50 2.468 14.142 -5.230
410 1HG1 VAL 50 1HG1 VAL 50 2.556 11.868 -5.134
411 2HG1 VAL 50 2HG1 VAL 50 1.263 12.037 -6.323
412 3HG1 VAL 50 3HG1 VAL 50 0.872 11.714 -4.633
413 1HG2 VAL 50 1HG2 VAL 50 -0.012 13.652 -6.539
414 2HG2 VAL 50 2HG2 VAL 50 0.987 15.105 -6.574
415 3HG2 VAL 50 3HG2 VAL 50 -0.252 14.917 -5.332
416 H TYR 51 H TYR 51 0.789 11.701 -2.541
417 HA TYR 51 HA TYR 51 3.333 11.734 -1.064
418 1HB TYR 51 2HB TYR 51 0.756 10.253 -0.516
419 2HB TYR 51 1HB TYR 51 2.251 9.981 0.374
420 HD1 TYR 51 1HD TYR 51 -0.090 12.730 -0.570
421 HD2 TYR 51 2HD TYR 51 2.651 11.204 2.301
422 HE1 TYR 51 1HE TYR 51 -0.671 14.569 0.952
423 HE2 TYR 51 2HE TYR 51 2.079 13.041 3.832
424 HH TYR 51 HH TYR 51 -0.119 14.598 4.100
425 H GLU 52 H GLU 52 4.875 10.386 -1.680
426 HA GLU 52 HA GLU 52 4.269 8.361 -3.686
427 1HB GLU 52 2HB GLU 52 6.473 8.452 -4.306
428 2HB GLU 52 1HB GLU 52 6.305 10.056 -3.611
429 1HG GLU 52 2HG GLU 52 7.987 9.613 -2.253
430 2HG GLU 52 1HG GLU 52 7.024 8.343 -1.499
431 H GLY 53 H GLY 53 5.047 6.143 -3.460
432 1HA GLY 53 2HA GLY 53 5.882 5.206 -0.881
433 2HA GLY 53 1HA GLY 53 4.190 4.866 -1.194
434 H GLN 54 H GLN 54 6.362 3.024 -0.782
435 HA GLN 54 HA GLN 54 6.125 1.485 -3.267
436 1HB GLN 54 2HB GLN 54 8.554 0.701 -2.147
437 2HB GLN 54 1HB GLN 54 8.338 1.684 -3.590
438 1HG GLN 54 2HG GLN 54 8.452 3.703 -2.267
439 2HG GLN 54 1HG GLN 54 8.585 2.751 -0.789
440 1HE2 GLN 54 1HE2 GLN 54 10.298 4.543 -2.868
441 2HE2 GLN 54 2HE2 GLN 54 11.858 3.821 -2.696
442 H LEU 55 H LEU 55 5.482 -0.573 -2.943
443 HA LEU 55 HA LEU 55 5.148 -1.447 -0.165
444 1HB LEU 55 2HB LEU 55 3.133 -1.424 -1.496
445 2HB LEU 55 1HB LEU 55 3.899 -2.379 -2.747
446 HG LEU 55 HG LEU 55 4.111 -4.230 -1.008
447 1HD1 LEU 55 1HD1 LEU 55 2.113 -2.473 0.408
448 2HD1 LEU 55 2HD1 LEU 55 3.726 -2.895 0.981
449 3HD1 LEU 55 3HD1 LEU 55 2.489 -4.143 0.831
450 1HD2 LEU 55 1HD2 LEU 55 1.231 -3.741 -1.420
451 2HD2 LEU 55 2HD2 LEU 55 2.218 -5.144 -1.831
452 3HD2 LEU 55 3HD2 LEU 55 2.242 -3.715 -2.864
453 H ILE 56 H ILE 56 6.862 -2.567 0.548
454 HA ILE 56 HA ILE 56 8.316 -4.332 -1.259
455 HB ILE 56 HB ILE 56 8.861 -3.533 1.602
456 1HG1 ILE 56 2HG1 ILE 56 10.995 -2.743 0.082
457 2HG1 ILE 56 1HG1 ILE 56 9.659 -2.521 -1.044
458 1HG2 ILE 56 1HG2 ILE 56 9.605 -5.857 1.049
459 2HG2 ILE 56 2HG2 ILE 56 10.912 -4.757 1.489
460 3HG2 ILE 56 3HG2 ILE 56 10.636 -5.167 -0.204
461 1HD1 ILE 56 1HD1 ILE 56 8.594 -0.978 0.375
462 2HD1 ILE 56 2HD1 ILE 56 10.299 -0.529 0.359
463 3HD1 ILE 56 3HD1 ILE 56 9.629 -1.401 1.738
464 H SER 57 H SER 57 8.357 -6.519 -1.120
465 HA SER 57 HA SER 57 6.516 -7.739 0.824
466 1HB SER 57 2HB SER 57 5.434 -8.615 -0.910
467 2HB SER 57 1HB SER 57 6.583 -7.867 -2.022
468 HG SER 57 HG SER 57 7.044 -10.328 -0.686
469 H ILE 58 H ILE 58 7.373 -9.000 2.225
470 HA ILE 58 HA ILE 58 9.931 -10.338 1.647
471 HB ILE 58 HB ILE 58 8.901 -9.694 4.407
472 1HG1 ILE 58 2HG1 ILE 58 11.024 -7.987 3.913
473 2HG1 ILE 58 1HG1 ILE 58 10.116 -7.943 2.404
474 1HG2 ILE 58 1HG2 ILE 58 10.524 -11.313 4.654
475 2HG2 ILE 58 2HG2 ILE 58 11.483 -9.838 4.767
476 3HG2 ILE 58 3HG2 ILE 58 11.447 -10.752 3.260
477 1HD1 ILE 58 1HD1 ILE 58 8.200 -7.111 3.458
478 2HD1 ILE 58 2HD1 ILE 58 9.542 -6.213 4.168
479 3HD1 ILE 58 3HD1 ILE 58 8.794 -7.536 5.063
480 H GLN 59 H GLN 59 9.885 -12.496 1.584
481 HA GLN 59 HA GLN 59 7.597 -13.865 2.839
482 1HB GLN 59 2HB GLN 59 8.938 -15.317 0.684
483 2HB GLN 59 1HB GLN 59 7.225 -15.069 0.975
484 1HG GLN 59 2HG GLN 59 7.447 -12.789 0.033
485 2HG GLN 59 1HG GLN 59 9.125 -13.157 -0.361
486 1HE2 GLN 59 1HE2 GLN 59 8.312 -15.989 -0.946
487 2HE2 GLN 59 2HE2 GLN 59 7.612 -15.922 -2.523
488 H GLN 60 H GLN 60 8.176 -16.364 2.949
489 HA GLN 60 HA GLN 60 10.172 -16.604 4.932
490 1HB GLN 60 2HB GLN 60 9.748 -19.089 4.638
491 2HB GLN 60 1HB GLN 60 8.348 -18.108 5.051
492 1HG GLN 60 2HG GLN 60 8.412 -18.137 2.267
493 2HG GLN 60 1HG GLN 60 8.809 -19.783 2.757
494 1HE2 GLN 60 1HE2 GLN 60 6.512 -19.303 1.395
495 2HE2 GLN 60 2HE2 GLN 60 5.147 -19.515 2.433
496 H TYR 61 H TYR 61 10.265 -16.829 1.500
497 HA TYR 61 HA TYR 61 12.748 -18.331 1.449
498 1HB TYR 61 2HB TYR 61 10.765 -17.420 -0.543
499 2HB TYR 61 1HB TYR 61 12.433 -17.466 -1.105
500 HD1 TYR 61 1HD TYR 61 13.250 -19.446 -1.979
501 HD2 TYR 61 2HD TYR 61 9.963 -19.598 0.719
502 HE1 TYR 61 1HE TYR 61 13.064 -21.869 -2.351
503 HE2 TYR 61 2HE TYR 61 9.768 -22.021 0.355
504 HH TYR 61 HH TYR 61 11.958 -23.727 -1.866
505 H GLY 62 H GLY 62 11.932 -15.200 2.077
506 1HA GLY 62 2HA GLY 62 13.339 -13.395 2.448
507 2HA GLY 62 1HA GLY 62 14.649 -14.306 1.719
508 H HIS 63 H HIS 63 11.667 -13.955 -0.014
509 HA HIS 63 HA HIS 63 12.951 -12.748 -2.234
510 1HB HIS 63 2HB HIS 63 10.150 -13.474 -1.529
511 2HB HIS 63 1HB HIS 63 10.389 -12.313 -2.831
512 HD2 HIS 63 2HD HIS 63 12.222 -13.383 -4.892
513 HE1 HIS 63 1HE HIS 63 10.877 -17.313 -4.089
514 HE2 HIS 63 2HE HIS 63 12.283 -15.870 -5.626
515 H GLN 64 H GLN 64 11.905 -10.714 -3.259
516 HA GLN 64 HA GLN 64 11.212 -8.682 -1.297
517 1HB GLN 64 2HB GLN 64 13.776 -8.751 -2.823
518 2HB GLN 64 1HB GLN 64 13.012 -7.194 -2.530
519 1HG GLN 64 2HG GLN 64 12.976 -8.549 -0.077
520 2HG GLN 64 1HG GLN 64 14.579 -8.811 -0.763
521 1HE2 GLN 64 1HE2 GLN 64 12.205 -6.265 -0.130
522 2HE2 GLN 64 2HE2 GLN 64 13.362 -5.029 0.218
523 H GLU 65 H GLU 65 9.224 -8.550 -2.328
524 HA GLU 65 HA GLU 65 9.209 -7.678 -5.130
525 1HB GLU 65 2HB GLU 65 7.656 -9.517 -3.818
526 2HB GLU 65 1HB GLU 65 6.636 -8.088 -3.761
527 1HG GLU 65 2HG GLU 65 7.429 -8.069 -6.359
528 2HG GLU 65 1HG GLU 65 7.361 -9.799 -6.023
529 H VAL 66 H VAL 66 9.190 -5.541 -5.464
530 HA VAL 66 HA VAL 66 7.661 -3.880 -3.584
531 HB VAL 66 HB VAL 66 9.908 -3.511 -2.960
532 1HG1 VAL 66 1HG1 VAL 66 11.708 -3.441 -4.321
533 2HG1 VAL 66 2HG1 VAL 66 10.843 -2.613 -5.616
534 3HG1 VAL 66 3HG1 VAL 66 10.634 -4.349 -5.381
535 1HG2 VAL 66 1HG2 VAL 66 8.289 -1.492 -3.681
536 2HG2 VAL 66 2HG2 VAL 66 9.675 -1.146 -4.717
537 3HG2 VAL 66 3HG2 VAL 66 9.883 -1.248 -2.968
538 H THR 67 H THR 67 6.472 -2.263 -4.393
539 HA THR 67 HA THR 67 6.684 -1.612 -7.244
540 HB THR 67 HB THR 67 4.064 -2.226 -5.861
541 HG1 THR 67 1HG THR 67 5.857 -3.864 -7.018
542 1HG2 THR 67 1HG2 THR 67 4.182 -2.132 -8.789
543 2HG2 THR 67 2HG2 THR 67 4.502 -0.585 -8.006
544 3HG2 THR 67 3HG2 THR 67 2.997 -1.443 -7.679
545 H ARG 68 H ARG 68 6.708 0.526 -7.547
546 HA ARG 68 HA ARG 68 6.139 2.294 -5.323
547 1HB ARG 68 2HB ARG 68 6.844 3.260 -8.071
548 2HB ARG 68 1HB ARG 68 7.272 3.942 -6.508
549 1HG ARG 68 2HG ARG 68 8.442 1.401 -6.574
550 2HG ARG 68 1HG ARG 68 8.738 2.115 -8.160
551 1HD ARG 68 2HD ARG 68 10.316 3.420 -7.307
552 2HD ARG 68 1HD ARG 68 9.167 4.095 -6.154
553 HE ARG 68 HE ARG 68 9.791 2.321 -4.624
554 1HH1 ARG 68 1HH1 ARG 68 11.869 2.815 -7.379
555 2HH1 ARG 68 2HH1 ARG 68 13.247 2.079 -6.632
556 1HH2 ARG 68 1HH2 ARG 68 11.602 1.351 -3.635
557 2HH2 ARG 68 2HH2 ARG 68 13.096 1.247 -4.505
558 H PHE 69 H PHE 69 4.571 3.932 -5.303
559 HA PHE 69 HA PHE 69 2.692 4.178 -7.480
560 1HB PHE 69 2HB PHE 69 0.779 3.724 -5.735
561 2HB PHE 69 1HB PHE 69 1.517 2.394 -6.621
562 HD1 PHE 69 1HD PHE 69 2.095 4.314 -3.462
563 HD2 PHE 69 2HD PHE 69 2.069 0.532 -5.414
564 HE1 PHE 69 1HE PHE 69 2.671 3.217 -1.332
565 HE2 PHE 69 2HE PHE 69 2.641 -0.571 -3.292
566 HZ PHE 69 HZ PHE 69 2.940 0.770 -1.249
567 H ASP 70 H ASP 70 1.431 6.002 -7.394
568 HA ASP 70 HA ASP 70 2.099 7.904 -5.248
569 1HB ASP 70 2HB ASP 70 0.978 8.638 -7.952
570 2HB ASP 70 1HB ASP 70 1.802 9.679 -6.795
571 H PHE 71 H PHE 71 0.505 8.335 -3.846
572 HA PHE 71 HA PHE 71 -2.268 8.085 -4.795
573 1HB PHE 71 2HB PHE 71 -2.925 6.985 -2.768
574 2HB PHE 71 1HB PHE 71 -1.542 6.116 -3.431
575 HD1 PHE 71 1HD PHE 71 -2.797 8.104 -0.667
576 HD2 PHE 71 2HD PHE 71 0.663 6.301 -2.367
577 HE1 PHE 71 1HE PHE 71 -1.622 8.347 1.480
578 HE2 PHE 71 2HE PHE 71 1.845 6.541 -0.222
579 HZ PHE 71 HZ PHE 71 0.702 7.564 1.705
580 H THR 72 H THR 72 -3.810 9.408 -3.843
581 HA THR 72 HA THR 72 -2.915 11.460 -1.963
582 HB THR 72 HB THR 72 -3.945 13.259 -3.300
583 HG1 THR 72 1HG THR 72 -5.133 12.736 -4.962
584 1HG2 THR 72 1HG2 THR 72 -1.527 11.835 -3.965
585 2HG2 THR 72 2HG2 THR 72 -1.837 13.571 -3.966
586 3HG2 THR 72 3HG2 THR 72 -2.206 12.609 -5.398
587 H THR 73 H THR 73 -4.795 12.728 -1.104
588 HA THR 73 HA THR 73 -7.112 10.944 -0.846
589 HB THR 73 HB THR 73 -5.882 11.667 1.230
590 HG1 THR 73 1HG THR 73 -7.809 11.093 1.904
591 1HG2 THR 73 1HG2 THR 73 -7.195 14.328 0.673
592 2HG2 THR 73 2HG2 THR 73 -5.468 14.007 0.517
593 3HG2 THR 73 3HG2 THR 73 -6.247 13.897 2.095
594 H THR 74 H THR 74 -6.161 14.110 -1.931
595 HA THR 74 HA THR 74 -8.702 14.477 -3.222
596 HB THR 74 HB THR 74 -9.403 15.326 -1.100
597 HG1 THR 74 1HG THR 74 -10.221 16.728 -2.521
598 1HG2 THR 74 1HG2 THR 74 -7.950 17.485 -0.369
599 2HG2 THR 74 2HG2 THR 74 -6.682 16.455 -1.034
600 3HG2 THR 74 3HG2 THR 74 -7.700 15.865 0.280
601 H SER 75 H SER 75 -5.599 14.525 -3.454
602 HA SER 75 HA SER 75 -5.235 17.123 -4.732
603 1HB SER 75 2HB SER 75 -3.456 16.254 -3.245
604 2HB SER 75 1HB SER 75 -3.251 14.873 -4.323
605 HG SER 75 HG SER 75 -2.985 16.740 -5.958
606 H THR 76 H THR 76 -3.765 14.118 -5.826
607 HA THR 76 HA THR 76 -5.422 13.704 -8.079
608 HB THR 76 HB THR 76 -4.597 15.638 -9.109
609 HG1 THR 76 1HG THR 76 -3.206 14.795 -10.765
610 1HG2 THR 76 1HG2 THR 76 -2.192 15.065 -7.549
611 2HG2 THR 76 2HG2 THR 76 -2.838 16.608 -8.105
612 3HG2 THR 76 3HG2 THR 76 -1.851 15.625 -9.186
613 H SER 77 H SER 77 -5.268 11.542 -7.889
614 HA SER 77 HA SER 77 -2.920 10.217 -8.772
615 1HB SER 77 2HB SER 77 -3.365 10.468 -5.852
616 2HB SER 77 1HB SER 77 -2.935 8.860 -6.437
617 HG SER 77 HG SER 77 -1.391 10.773 -7.573
618 H THR 78 H THR 78 -4.959 8.833 -6.275
619 HA THR 78 HA THR 78 -6.881 7.724 -8.082
620 HB THR 78 HB THR 78 -5.264 6.157 -8.741
621 HG1 THR 78 1HG THR 78 -6.582 4.928 -6.532
622 1HG2 THR 78 1HG2 THR 78 -3.441 6.464 -7.324
623 2HG2 THR 78 2HG2 THR 78 -3.993 4.842 -6.906
624 3HG2 THR 78 3HG2 THR 78 -4.404 6.208 -5.868
625 HA PRO 79 HA PRO 79 -8.678 7.669 -3.971
626 1HB PRO 79 2HB PRO 79 -11.242 7.717 -4.716
627 2HB PRO 79 1HB PRO 79 -10.206 9.137 -4.908
628 1HG PRO 79 2HG PRO 79 -11.110 7.155 -6.950
629 2HG PRO 79 1HG PRO 79 -10.906 8.909 -7.101
630 1HD PRO 79 2HD PRO 79 -9.078 6.991 -7.955
631 2HD PRO 79 1HD PRO 79 -8.713 8.703 -7.672
632 H GLY 80 H GLY 80 -7.636 5.241 -4.626
633 1HA GLY 80 2HA GLY 80 -8.992 3.377 -3.237
634 2HA GLY 80 1HA GLY 80 -9.747 3.262 -4.818
635 H SER 81 H SER 81 -9.010 1.123 -5.050
636 HA SER 81 HA SER 81 -6.153 0.621 -5.073
637 1HB SER 81 2HB SER 81 -8.516 -1.181 -5.650
638 2HB SER 81 1HB SER 81 -6.834 -1.714 -5.631
639 HG SER 81 HG SER 81 -6.758 -1.464 -3.488
640 H ARG 82 H ARG 82 -4.907 0.229 -6.848
641 HA ARG 82 HA ARG 82 -5.824 1.310 -9.344
642 1HB ARG 82 2HB ARG 82 -3.218 -0.073 -8.680
643 2HB ARG 82 1HB ARG 82 -3.546 0.869 -10.127
644 1HG ARG 82 2HG ARG 82 -3.649 2.886 -8.914
645 2HG ARG 82 1HG ARG 82 -3.732 2.038 -7.369
646 1HD ARG 82 2HD ARG 82 -1.367 1.838 -9.217
647 2HD ARG 82 1HD ARG 82 -1.500 3.077 -7.970
648 HE ARG 82 HE ARG 82 -1.367 1.379 -6.317
649 1HH1 ARG 82 1HH1 ARG 82 -0.902 0.219 -9.569
650 2HH1 ARG 82 2HH1 ARG 82 -0.140 -1.254 -9.072
651 1HH2 ARG 82 1HH2 ARG 82 -0.366 -0.560 -5.654
652 2HH2 ARG 82 2HH2 ARG 82 0.166 -1.697 -6.847
653 H SER 83 H SER 83 -4.854 -0.088 -11.352
654 HA SER 83 HA SER 83 -6.340 -2.618 -11.226
655 1HB SER 83 2HB SER 83 -6.620 -2.454 -13.602
656 2HB SER 83 1HB SER 83 -6.998 -0.870 -12.923
657 HG SER 83 HG SER 83 -4.472 -1.587 -13.997
658 H HIS 84 H HIS 84 -3.215 -1.443 -11.184
659 HA HIS 84 HA HIS 84 -1.878 -3.338 -12.811
660 1HB HIS 84 2HB HIS 84 -1.153 -1.205 -10.989
661 2HB HIS 84 1HB HIS 84 -0.097 -2.599 -10.784
662 HD2 HIS 84 2HD HIS 84 1.602 -3.154 -12.897
663 HE1 HIS 84 1HE HIS 84 0.550 0.285 -15.129
664 HE2 HIS 84 2HE HIS 84 2.081 -1.732 -15.014
665 H HIS 85 H HIS 85 -1.439 -5.408 -12.479
666 HA HIS 85 HA HIS 85 -1.247 -6.446 -9.757
667 1HB HIS 85 2HB HIS 85 -3.335 -7.177 -11.745
668 2HB HIS 85 1HB HIS 85 -2.636 -8.483 -10.794
669 HD2 HIS 85 2HD HIS 85 -2.955 -8.140 -7.948
670 HE1 HIS 85 1HE HIS 85 -6.255 -5.543 -8.464
671 HE2 HIS 85 2HE HIS 85 -5.064 -7.099 -6.855
672 H HIS 86 H HIS 86 -1.565 -8.092 -12.881
673 HA HIS 86 HA HIS 86 -0.164 -9.417 -14.079
674 1HB HIS 86 2HB HIS 86 1.415 -7.242 -13.269
675 2HB HIS 86 1HB HIS 86 2.389 -8.673 -12.953
676 HD2 HIS 86 2HD HIS 86 3.313 -6.709 -15.328
677 HE1 HIS 86 1HE HIS 86 1.713 -9.692 -17.867
678 HE2 HIS 86 2HE HIS 86 3.380 -7.790 -17.685
679 H HIS 87 H HIS 87 1.846 -9.150 -11.163
680 HA HIS 87 HA HIS 87 2.545 -10.677 -9.633
681 1HB HIS 87 2HB HIS 87 -0.157 -11.308 -10.045
682 2HB HIS 87 1HB HIS 87 0.695 -12.845 -10.140
683 HD2 HIS 87 2HD HIS 87 2.851 -12.459 -7.768
684 HE1 HIS 87 1HE HIS 87 -0.544 -11.605 -5.391
685 HE2 HIS 87 2HE HIS 87 1.853 -12.430 -5.374
686 H HIS 88 H HIS 88 3.059 -10.835 -12.665
687 HA HIS 88 HA HIS 88 4.308 -13.503 -12.613
688 1HB HIS 88 2HB HIS 88 2.599 -12.240 -14.637
689 2HB HIS 88 1HB HIS 88 4.095 -12.902 -15.289
690 HD2 HIS 88 2HD HIS 88 4.330 -15.661 -13.692
691 HE1 HIS 88 1HE HIS 88 0.360 -16.330 -14.996
692 HE2 HIS 88 2HE HIS 88 2.509 -17.431 -14.224
693 H HIS 89 H HIS 89 5.963 -13.427 -14.695
694 HA HIS 89 HA HIS 89 7.843 -11.304 -13.958
695 1HB HIS 89 2HB HIS 89 8.247 -13.979 -14.152
696 2HB HIS 89 1HB HIS 89 8.735 -13.467 -15.764
697 HD2 HIS 89 2HD HIS 89 11.373 -14.164 -15.014
698 HE1 HIS 89 1HE HIS 89 11.800 -10.822 -12.452
699 HE2 HIS 89 2HE HIS 89 12.980 -12.810 -13.494
Start of MODEL 11
1 1H MET 1 1HT MET 1 -9.898 -23.831 15.649
2 2H MET 1 2HT MET 1 -9.444 -24.546 17.112
3 3H MET 1 3HT MET 1 -10.019 -22.956 17.092
4 HA MET 1 HA MET 1 -11.651 -25.258 16.214
5 1HB MET 1 2HB MET 1 -12.654 -25.270 18.429
6 2HB MET 1 1HB MET 1 -10.921 -25.530 18.563
7 1HG MET 1 2HG MET 1 -11.162 -22.800 18.779
8 2HG MET 1 1HG MET 1 -12.581 -23.404 19.634
9 1HE MET 1 1HE MET 1 -12.778 -23.975 21.584
10 2HE MET 1 2HE MET 1 -11.610 -23.330 22.738
11 3HE MET 1 3HE MET 1 -11.749 -25.073 22.506
12 H ARG 2 H ARG 2 -11.109 -22.224 15.603
13 HA ARG 2 HA ARG 2 -13.837 -21.229 16.000
14 1HB ARG 2 2HB ARG 2 -11.256 -19.872 15.235
15 2HB ARG 2 1HB ARG 2 -12.814 -19.062 15.131
16 1HG ARG 2 2HG ARG 2 -12.327 -20.337 17.712
17 2HG ARG 2 1HG ARG 2 -11.170 -19.067 17.309
18 1HD ARG 2 2HD ARG 2 -13.467 -17.858 16.593
19 2HD ARG 2 1HD ARG 2 -14.058 -18.896 17.890
20 HE ARG 2 HE ARG 2 -11.953 -16.856 18.194
21 1HH1 ARG 2 1HH1 ARG 2 -14.502 -18.842 19.500
22 2HH1 ARG 2 2HH1 ARG 2 -14.448 -18.106 21.068
23 1HH2 ARG 2 1HH2 ARG 2 -11.875 -15.881 20.253
24 2HH2 ARG 2 2HH2 ARG 2 -12.955 -16.424 21.495
25 H GLY 3 H GLY 3 -12.498 -23.135 13.846
26 1HA GLY 3 2HA GLY 3 -13.624 -23.693 11.816
27 2HA GLY 3 1HA GLY 3 -14.082 -22.006 11.641
28 H SER 4 H SER 4 -10.862 -22.397 12.603
29 HA SER 4 HA SER 4 -9.890 -22.345 9.833
30 1HB SER 4 2HB SER 4 -9.744 -20.181 11.814
31 2HB SER 4 1HB SER 4 -8.191 -20.581 11.079
32 HG SER 4 HG SER 4 -10.568 -20.055 9.620
33 H ASN 5 H ASN 5 -8.274 -23.725 9.526
34 HA ASN 5 HA ASN 5 -7.192 -25.243 11.674
35 1HB ASN 5 2HB ASN 5 -5.545 -25.583 9.399
36 2HB ASN 5 1HB ASN 5 -6.814 -26.654 9.982
37 1HD2 ASN 5 1HD2 ASN 5 -8.991 -26.255 9.214
38 2HD2 ASN 5 2HD2 ASN 5 -9.220 -25.600 7.632
39 H ALA 6 H ALA 6 -5.248 -23.552 9.231
40 HA ALA 6 HA ALA 6 -3.017 -23.255 10.915
41 1HB ALA 6 1HB ALA 6 -3.095 -23.190 8.372
42 2HB ALA 6 2HB ALA 6 -2.020 -22.040 9.168
43 3HB ALA 6 3HB ALA 6 -3.578 -21.503 8.541
44 HA PRO 7 HA PRO 7 -4.132 -19.700 13.319
45 1HB PRO 7 2HB PRO 7 -1.682 -18.885 14.107
46 2HB PRO 7 1HB PRO 7 -2.429 -20.361 14.731
47 1HG PRO 7 2HG PRO 7 -0.382 -20.046 12.565
48 2HG PRO 7 1HG PRO 7 -0.428 -21.218 13.897
49 1HD PRO 7 2HD PRO 7 -1.216 -21.836 11.378
50 2HD PRO 7 1HD PRO 7 -1.942 -22.577 12.818
51 H GLN 8 H GLN 8 -1.586 -19.370 10.889
52 HA GLN 8 HA GLN 8 -2.740 -16.936 9.893
53 1HB GLN 8 2HB GLN 8 -1.284 -16.256 11.880
54 2HB GLN 8 1HB GLN 8 0.094 -16.761 10.911
55 1HG GLN 8 2HG GLN 8 -0.208 -14.377 10.748
56 2HG GLN 8 1HG GLN 8 -0.534 -15.133 9.189
57 1HE2 GLN 8 1HE2 GLN 8 -2.504 -14.917 8.279
58 2HE2 GLN 8 2HE2 GLN 8 -3.805 -14.020 8.976
59 HA PRO 9 HA PRO 9 -0.423 -19.660 6.886
60 1HB PRO 9 2HB PRO 9 -2.459 -19.908 5.105
61 2HB PRO 9 1HB PRO 9 -2.246 -20.992 6.485
62 1HG PRO 9 2HG PRO 9 -4.078 -18.645 6.181
63 2HG PRO 9 1HG PRO 9 -4.400 -20.232 6.906
64 1HD PRO 9 2HD PRO 9 -3.865 -18.026 8.387
65 2HD PRO 9 1HD PRO 9 -3.411 -19.661 8.904
66 H SER 10 H SER 10 -2.870 -17.987 5.028
67 HA SER 10 HA SER 10 -2.774 -16.357 3.453
68 1HB SER 10 2HB SER 10 -0.525 -15.379 5.222
69 2HB SER 10 1HB SER 10 -1.139 -14.476 3.838
70 HG SER 10 HG SER 10 -2.552 -15.230 6.178
71 H HIS 11 H HIS 11 -1.284 -15.340 1.756
72 HA HIS 11 HA HIS 11 0.302 -17.482 0.628
73 1HB HIS 11 2HB HIS 11 -0.687 -14.831 -0.382
74 2HB HIS 11 1HB HIS 11 0.545 -15.723 -1.269
75 HD2 HIS 11 2HD HIS 11 -2.630 -15.218 -2.287
76 HE1 HIS 11 1HE HIS 11 -2.737 -19.431 -1.898
77 HE2 HIS 11 2HE HIS 11 -3.967 -17.390 -2.763
78 H ILE 12 H ILE 12 0.825 -14.059 1.451
79 HA ILE 12 HA ILE 12 3.721 -14.502 1.329
80 HB ILE 12 HB ILE 12 2.966 -12.593 0.062
81 1HG1 ILE 12 2HG1 ILE 12 4.033 -10.809 1.943
82 2HG1 ILE 12 1HG1 ILE 12 4.755 -12.368 2.335
83 1HG2 ILE 12 1HG2 ILE 12 1.191 -12.245 2.279
84 2HG2 ILE 12 2HG2 ILE 12 1.154 -11.482 0.689
85 3HG2 ILE 12 3HG2 ILE 12 2.089 -10.755 1.995
86 1HD1 ILE 12 1HD1 ILE 12 4.909 -10.848 -0.244
87 2HD1 ILE 12 2HD1 ILE 12 5.360 -12.547 -0.111
88 3HD1 ILE 12 3HD1 ILE 12 6.222 -11.329 0.829
89 H SER 13 H SER 13 5.054 -14.202 3.073
90 HA SER 13 HA SER 13 4.110 -14.732 5.632
91 1HB SER 13 2HB SER 13 6.667 -13.993 4.427
92 2HB SER 13 1HB SER 13 6.486 -13.365 6.066
93 HG SER 13 HG SER 13 7.383 -15.527 5.912
94 H LYS 14 H LYS 14 5.084 -11.627 4.204
95 HA LYS 14 HA LYS 14 3.109 -10.190 5.658
96 1HB LYS 14 2HB LYS 14 4.679 -8.786 6.988
97 2HB LYS 14 1HB LYS 14 4.609 -10.459 7.525
98 1HG LYS 14 2HG LYS 14 6.672 -10.803 6.025
99 2HG LYS 14 1HG LYS 14 6.802 -9.043 6.064
100 1HD LYS 14 2HD LYS 14 6.412 -10.391 8.666
101 2HD LYS 14 1HD LYS 14 7.966 -10.650 7.872
102 1HE LYS 14 2HE LYS 14 8.011 -8.726 9.403
103 2HE LYS 14 1HE LYS 14 8.328 -8.260 7.731
104 1HZ LYS 14 1HZ LYS 14 6.174 -7.368 7.518
105 2HZ LYS 14 2HZ LYS 14 6.750 -6.800 9.004
106 3HZ LYS 14 3HZ LYS 14 5.638 -8.073 8.960
107 H TYR 15 H TYR 15 2.810 -8.135 4.869
108 HA TYR 15 HA TYR 15 4.589 -7.327 2.662
109 1HB TYR 15 2HB TYR 15 1.751 -7.746 2.728
110 2HB TYR 15 1HB TYR 15 2.070 -6.043 2.414
111 HD1 TYR 15 1HD TYR 15 4.029 -5.672 0.605
112 HD2 TYR 15 2HD TYR 15 1.562 -9.124 0.899
113 HE1 TYR 15 1HE TYR 15 4.481 -6.188 -1.757
114 HE2 TYR 15 2HE TYR 15 2.007 -9.652 -1.460
115 HH TYR 15 HH TYR 15 3.702 -7.433 -3.551
116 H ILE 16 H ILE 16 5.397 -5.277 2.696
117 HA ILE 16 HA ILE 16 4.512 -3.569 4.927
118 HB ILE 16 HB ILE 16 7.242 -3.909 3.714
119 1HG1 ILE 16 2HG1 ILE 16 6.634 -5.375 5.588
120 2HG1 ILE 16 1HG1 ILE 16 7.901 -4.246 6.055
121 1HG2 ILE 16 1HG2 ILE 16 7.373 -1.923 5.707
122 2HG2 ILE 16 2HG2 ILE 16 6.070 -1.450 4.616
123 3HG2 ILE 16 3HG2 ILE 16 7.690 -1.748 3.982
124 1HD1 ILE 16 1HD1 ILE 16 6.599 -3.994 7.869
125 2HD1 ILE 16 2HD1 ILE 16 5.136 -4.501 7.023
126 3HD1 ILE 16 3HD1 ILE 16 5.741 -2.855 6.830
127 H LEU 17 H LEU 17 3.909 -1.548 4.543
128 HA LEU 17 HA LEU 17 4.083 -0.573 1.772
129 1HB LEU 17 2HB LEU 17 1.806 -1.108 3.119
130 2HB LEU 17 1HB LEU 17 2.063 0.556 3.607
131 HG LEU 17 HG LEU 17 2.406 0.341 0.764
132 1HD1 LEU 17 1HD1 LEU 17 0.048 -1.054 1.942
133 2HD1 LEU 17 2HD1 LEU 17 0.996 -1.451 0.508
134 3HD1 LEU 17 3HD1 LEU 17 -0.157 -0.118 0.461
135 1HD2 LEU 17 1HD2 LEU 17 0.295 1.703 2.433
136 2HD2 LEU 17 2HD2 LEU 17 0.690 2.059 0.752
137 3HD2 LEU 17 3HD2 LEU 17 1.870 2.381 2.022
138 H ARG 18 H ARG 18 5.529 1.009 1.598
139 HA ARG 18 HA ARG 18 5.872 2.827 3.885
140 1HB ARG 18 2HB ARG 18 7.842 1.892 1.807
141 2HB ARG 18 1HB ARG 18 8.146 3.281 2.839
142 1HG ARG 18 2HG ARG 18 8.577 2.015 4.646
143 2HG ARG 18 1HG ARG 18 7.341 0.822 4.238
144 1HD ARG 18 2HD ARG 18 8.975 -0.529 3.569
145 2HD ARG 18 1HD ARG 18 9.268 0.590 2.238
146 HE ARG 18 HE ARG 18 10.663 1.665 4.303
147 1HH1 ARG 18 1HH1 ARG 18 10.586 -1.481 2.810
148 2HH1 ARG 18 2HH1 ARG 18 12.249 -1.826 3.151
149 1HH2 ARG 18 1HH2 ARG 18 12.856 1.220 4.756
150 2HH2 ARG 18 2HH2 ARG 18 13.537 -0.292 4.257
151 H TRP 19 H TRP 19 5.417 4.917 3.599
152 HA TRP 19 HA TRP 19 5.511 6.029 0.908
153 1HB TRP 19 2HB TRP 19 3.294 6.783 0.822
154 2HB TRP 19 1HB TRP 19 3.167 5.129 1.405
155 HD1 TRP 19 HD TRP 19 2.701 8.754 2.544
156 HE1 TRP 19 1HE TRP 19 1.324 8.757 4.721
157 HE3 TRP 19 3HE TRP 19 2.603 3.721 3.458
158 HZ2 TRP 19 2HZ TRP 19 0.328 6.876 6.576
159 HZ3 TRP 19 3HZ TRP 19 1.418 2.908 5.453
160 HH2 TRP 19 HH TRP 19 0.304 4.454 6.979
161 H ARG 20 H ARG 20 5.491 8.305 0.804
162 HA ARG 20 HA ARG 20 5.613 9.901 3.186
163 1HB ARG 20 2HB ARG 20 7.922 10.655 2.877
164 2HB ARG 20 1HB ARG 20 7.869 8.925 3.184
165 1HG ARG 20 2HG ARG 20 9.007 8.551 1.328
166 2HG ARG 20 1HG ARG 20 7.737 9.323 0.379
167 1HD ARG 20 2HD ARG 20 9.216 10.901 -0.134
168 2HD ARG 20 1HD ARG 20 9.114 11.433 1.544
169 HE ARG 20 HE ARG 20 11.120 9.517 0.541
170 1HH1 ARG 20 1HH1 ARG 20 10.155 12.124 2.645
171 2HH1 ARG 20 2HH1 ARG 20 11.711 12.267 3.391
172 1HH2 ARG 20 1HH2 ARG 20 13.169 9.701 1.514
173 2HH2 ARG 20 2HH2 ARG 20 13.426 10.890 2.748
174 HA PRO 21 HA PRO 21 4.189 12.993 0.378
175 1HB PRO 21 2HB PRO 21 6.033 14.884 1.755
176 2HB PRO 21 1HB PRO 21 4.290 15.005 1.487
177 1HG PRO 21 2HG PRO 21 5.191 14.399 3.895
178 2HG PRO 21 1HG PRO 21 3.793 13.531 3.225
179 1HD PRO 21 2HD PRO 21 6.656 12.645 3.396
180 2HD PRO 21 1HD PRO 21 5.174 11.736 3.771
181 H LYS 22 H LYS 22 4.810 13.019 -1.665
182 HA LYS 22 HA LYS 22 7.443 12.757 -2.579
183 1HB LYS 22 2HB LYS 22 4.976 12.578 -3.717
184 2HB LYS 22 1HB LYS 22 5.559 14.087 -4.409
185 1HG LYS 22 2HG LYS 22 7.218 13.069 -5.598
186 2HG LYS 22 1HG LYS 22 7.369 11.734 -4.454
187 1HD LYS 22 2HD LYS 22 6.156 10.504 -5.858
188 2HD LYS 22 1HD LYS 22 4.777 11.533 -5.466
189 1HE LYS 22 2HE LYS 22 4.872 12.628 -7.432
190 2HE LYS 22 1HE LYS 22 6.635 12.642 -7.455
191 1HZ LYS 22 1HZ LYS 22 5.881 11.294 -9.243
192 2HZ LYS 22 2HZ LYS 22 4.852 10.405 -8.237
193 3HZ LYS 22 3HZ LYS 22 6.529 10.253 -8.076
194 H ASN 23 H ASN 23 5.654 15.552 -1.615
195 HA ASN 23 HA ASN 23 7.596 17.350 -2.872
196 1HB ASN 23 2HB ASN 23 4.885 17.750 -1.642
197 2HB ASN 23 1HB ASN 23 5.975 19.116 -1.863
198 1HD2 ASN 23 1HD2 ASN 23 4.744 16.330 -3.682
199 2HD2 ASN 23 2HD2 ASN 23 4.497 17.189 -5.160
200 H SER 24 H SER 24 6.404 16.326 0.275
201 HA SER 24 HA SER 24 8.406 18.032 1.583
202 1HB SER 24 2HB SER 24 5.801 16.859 2.446
203 2HB SER 24 1HB SER 24 7.040 17.119 3.673
204 HG SER 24 HG SER 24 6.649 19.176 3.578
205 H VAL 25 H VAL 25 10.285 17.078 1.973
206 HA VAL 25 HA VAL 25 10.391 14.181 2.357
207 HB VAL 25 HB VAL 25 12.931 14.648 2.341
208 1HG1 VAL 25 1HG1 VAL 25 12.906 14.821 -0.174
209 2HG1 VAL 25 2HG1 VAL 25 11.155 14.996 -0.062
210 3HG1 VAL 25 3HG1 VAL 25 11.932 13.521 0.514
211 1HG2 VAL 25 1HG2 VAL 25 12.268 17.221 2.527
212 2HG2 VAL 25 2HG2 VAL 25 12.309 17.081 0.770
213 3HG2 VAL 25 3HG2 VAL 25 13.739 16.678 1.720
214 H GLY 26 H GLY 26 10.699 13.259 4.281
215 1HA GLY 26 2HA GLY 26 12.155 14.559 6.392
216 2HA GLY 26 1HA GLY 26 10.427 14.488 6.699
217 H ARG 27 H ARG 27 9.583 12.121 5.993
218 HA ARG 27 HA ARG 27 11.319 9.952 6.599
219 1HB ARG 27 2HB ARG 27 10.609 11.263 8.850
220 2HB ARG 27 1HB ARG 27 9.249 10.157 8.710
221 1HG ARG 27 2HG ARG 27 10.462 8.432 9.408
222 2HG ARG 27 1HG ARG 27 11.782 8.813 8.300
223 1HD ARG 27 2HD ARG 27 12.952 9.923 9.873
224 2HD ARG 27 1HD ARG 27 11.507 10.642 10.583
225 HE ARG 27 HE ARG 27 11.464 7.951 11.236
226 1HH1 ARG 27 1HH1 ARG 27 13.513 10.709 11.823
227 2HH1 ARG 27 2HH1 ARG 27 14.067 10.132 13.359
228 1HH2 ARG 27 1HH2 ARG 27 12.188 7.185 13.258
229 2HH2 ARG 27 2HH2 ARG 27 13.315 8.129 14.174
230 H TRP 28 H TRP 28 10.294 7.915 6.374
231 HA TRP 28 HA TRP 28 7.866 8.040 4.785
232 1HB TRP 28 2HB TRP 28 9.658 5.695 5.460
233 2HB TRP 28 1HB TRP 28 8.319 5.658 4.319
234 HD1 TRP 28 HD TRP 28 11.603 7.706 4.738
235 HE1 TRP 28 1HE TRP 28 12.605 8.066 2.396
236 HE3 TRP 28 3HE TRP 28 7.992 5.399 1.947
237 HZ2 TRP 28 2HZ TRP 28 11.952 7.453 -0.280
238 HZ3 TRP 28 3HZ TRP 28 8.259 5.329 -0.498
239 HH2 TRP 28 HH TRP 28 10.198 6.337 -1.587
240 H LYS 29 H LYS 29 6.682 5.636 5.220
241 HA LYS 29 HA LYS 29 6.055 5.438 8.067
242 1HB LYS 29 2HB LYS 29 4.101 6.186 5.903
243 2HB LYS 29 1HB LYS 29 3.565 5.356 7.357
244 1HG LYS 29 2HG LYS 29 4.934 7.322 8.510
245 2HG LYS 29 1HG LYS 29 4.522 8.131 6.996
246 1HD LYS 29 2HD LYS 29 2.345 8.295 7.537
247 2HD LYS 29 1HD LYS 29 2.301 6.678 8.240
248 1HE LYS 29 2HE LYS 29 2.746 7.428 10.323
249 2HE LYS 29 1HE LYS 29 3.840 8.687 9.748
250 1HZ LYS 29 1HZ LYS 29 1.864 9.954 9.037
251 2HZ LYS 29 2HZ LYS 29 1.910 9.697 10.708
252 3HZ LYS 29 3HZ LYS 29 0.871 8.778 9.741
253 H GLU 30 H GLU 30 5.097 3.392 8.624
254 HA GLU 30 HA GLU 30 5.360 1.400 6.467
255 1HB GLU 30 2HB GLU 30 5.949 1.010 9.403
256 2HB GLU 30 1HB GLU 30 6.123 -0.204 8.144
257 1HG GLU 30 2HG GLU 30 7.701 1.633 7.089
258 2HG GLU 30 1HG GLU 30 7.827 2.139 8.773
259 H ALA 31 H ALA 31 3.823 -0.070 6.171
260 HA ALA 31 HA ALA 31 1.695 -0.407 8.149
261 1HB ALA 31 1HB ALA 31 0.120 0.610 6.948
262 2HB ALA 31 2HB ALA 31 0.516 -0.370 5.536
263 3HB ALA 31 3HB ALA 31 1.368 1.147 5.822
264 H THR 32 H THR 32 1.787 -2.534 8.558
265 HA THR 32 HA THR 32 2.630 -4.378 6.478
266 HB THR 32 HB THR 32 1.863 -5.175 9.273
267 HG1 THR 32 1HG THR 32 3.545 -3.373 8.997
268 1HG2 THR 32 1HG2 THR 32 3.574 -6.320 7.083
269 2HG2 THR 32 2HG2 THR 32 2.229 -7.071 7.941
270 3HG2 THR 32 3HG2 THR 32 3.770 -6.825 8.761
271 H ILE 33 H ILE 33 1.438 -5.973 5.587
272 HA ILE 33 HA ILE 33 -1.334 -6.332 6.446
273 HB ILE 33 HB ILE 33 -1.421 -6.532 3.647
274 1HG1 ILE 33 2HG1 ILE 33 -0.459 -3.769 4.303
275 2HG1 ILE 33 1HG1 ILE 33 0.711 -5.030 3.926
276 1HG2 ILE 33 1HG2 ILE 33 -3.382 -5.858 4.545
277 2HG2 ILE 33 2HG2 ILE 33 -2.761 -4.267 4.109
278 3HG2 ILE 33 3HG2 ILE 33 -2.606 -4.849 5.765
279 1HD1 ILE 33 1HD1 ILE 33 -1.534 -4.750 2.042
280 2HD1 ILE 33 2HD1 ILE 33 0.177 -5.052 1.742
281 3HD1 ILE 33 3HD1 ILE 33 -0.382 -3.416 2.092
282 HA PRO 34 HA PRO 34 0.215 -10.502 5.836
283 1HB PRO 34 2HB PRO 34 -1.829 -11.791 7.020
284 2HB PRO 34 1HB PRO 34 -0.610 -10.913 7.952
285 1HG PRO 34 2HG PRO 34 -3.373 -10.066 7.176
286 2HG PRO 34 1HG PRO 34 -2.534 -9.865 8.725
287 1HD PRO 34 2HD PRO 34 -2.760 -7.882 6.855
288 2HD PRO 34 1HD PRO 34 -1.424 -7.988 8.019
289 H GLY 35 H GLY 35 -0.050 -10.330 3.518
290 1HA GLY 35 2HA GLY 35 -0.824 -11.364 1.593
291 2HA GLY 35 1HA GLY 35 -2.112 -12.092 2.542
292 H HIS 36 H HIS 36 -4.104 -11.153 2.589
293 HA HIS 36 HA HIS 36 -4.572 -8.465 1.765
294 1HB HIS 36 2HB HIS 36 -4.224 -10.111 -0.363
295 2HB HIS 36 1HB HIS 36 -5.957 -10.292 -0.103
296 HD2 HIS 36 2HD HIS 36 -5.837 -6.888 0.872
297 HE1 HIS 36 1HE HIS 36 -5.505 -6.626 -3.340
298 HE2 HIS 36 2HE HIS 36 -5.837 -5.318 -1.194
299 H LEU 37 H LEU 37 -5.767 -8.278 3.617
300 HA LEU 37 HA LEU 37 -7.906 -10.132 4.200
301 1HB LEU 37 2HB LEU 37 -7.937 -7.643 5.709
302 2HB LEU 37 1HB LEU 37 -7.836 -9.297 6.278
303 HG LEU 37 HG LEU 37 -5.327 -9.039 5.409
304 1HD1 LEU 37 1HD1 LEU 37 -4.650 -6.680 6.236
305 2HD1 LEU 37 2HD1 LEU 37 -6.321 -6.258 5.864
306 3HD1 LEU 37 3HD1 LEU 37 -5.264 -6.875 4.595
307 1HD2 LEU 37 1HD2 LEU 37 -6.605 -8.336 8.010
308 2HD2 LEU 37 2HD2 LEU 37 -4.868 -8.110 7.804
309 3HD2 LEU 37 3HD2 LEU 37 -5.580 -9.710 7.593
310 H ASN 38 H ASN 38 -7.530 -6.923 2.856
311 HA ASN 38 HA ASN 38 -9.950 -6.945 1.466
312 1HB ASN 38 2HB ASN 38 -11.395 -5.537 2.709
313 2HB ASN 38 1HB ASN 38 -10.808 -6.729 3.865
314 1HD2 ASN 38 1HD2 ASN 38 -8.295 -5.723 4.396
315 2HD2 ASN 38 2HD2 ASN 38 -8.451 -4.210 5.215
316 H SER 39 H SER 39 -10.565 -4.182 1.508
317 HA SER 39 HA SER 39 -8.281 -3.175 0.031
318 1HB SER 39 2HB SER 39 -9.875 -1.233 -0.431
319 2HB SER 39 1HB SER 39 -10.361 -2.807 -1.057
320 HG SER 39 HG SER 39 -11.219 -2.042 1.497
321 H TYR 40 H TYR 40 -6.696 -2.341 1.236
322 HA TYR 40 HA TYR 40 -7.295 -0.863 3.666
323 1HB TYR 40 2HB TYR 40 -5.363 -2.576 3.285
324 2HB TYR 40 1HB TYR 40 -4.539 -1.214 2.534
325 HD1 TYR 40 1HD TYR 40 -3.776 0.665 3.859
326 HD2 TYR 40 2HD TYR 40 -5.819 -2.595 5.678
327 HE1 TYR 40 1HE TYR 40 -3.045 1.449 6.073
328 HE2 TYR 40 2HE TYR 40 -5.095 -1.818 7.896
329 HH TYR 40 HH TYR 40 -3.623 -0.437 8.974
330 H THR 41 H THR 41 -7.779 1.223 3.525
331 HA THR 41 HA THR 41 -6.528 2.826 1.397
332 HB THR 41 HB THR 41 -8.898 3.768 2.972
333 HG1 THR 41 1HG THR 41 -8.817 1.730 1.059
334 1HG2 THR 41 1HG2 THR 41 -9.313 4.631 0.497
335 2HG2 THR 41 2HG2 THR 41 -7.566 4.415 0.394
336 3HG2 THR 41 3HG2 THR 41 -8.251 5.491 1.612
337 H ILE 42 H ILE 42 -5.372 4.622 1.866
338 HA ILE 42 HA ILE 42 -4.861 5.169 4.711
339 HB ILE 42 HB ILE 42 -3.172 5.721 2.269
340 1HG1 ILE 42 2HG1 ILE 42 -2.231 4.155 4.620
341 2HG1 ILE 42 1HG1 ILE 42 -3.396 3.387 3.546
342 1HG2 ILE 42 1HG2 ILE 42 -2.657 7.553 3.570
343 2HG2 ILE 42 2HG2 ILE 42 -1.476 6.372 4.137
344 3HG2 ILE 42 3HG2 ILE 42 -2.930 6.688 5.083
345 1HD1 ILE 42 1HD1 ILE 42 -0.924 2.987 3.102
346 2HD1 ILE 42 2HD1 ILE 42 -0.887 4.645 2.502
347 3HD1 ILE 42 3HD1 ILE 42 -1.931 3.452 1.731
348 H LYS 43 H LYS 43 -5.823 6.915 5.508
349 HA LYS 43 HA LYS 43 -6.350 9.184 3.701
350 1HB LYS 43 2HB LYS 43 -8.277 7.806 4.873
351 2HB LYS 43 1HB LYS 43 -7.871 8.824 6.247
352 1HG LYS 43 2HG LYS 43 -8.497 10.779 5.137
353 2HG LYS 43 1HG LYS 43 -8.442 10.002 3.553
354 1HD LYS 43 2HD LYS 43 -10.308 8.475 4.673
355 2HD LYS 43 1HD LYS 43 -10.553 9.931 5.639
356 1HE LYS 43 2HE LYS 43 -10.685 9.684 2.639
357 2HE LYS 43 1HE LYS 43 -12.021 10.011 3.742
358 1HZ LYS 43 1HZ LYS 43 -11.578 12.123 3.146
359 2HZ LYS 43 2HZ LYS 43 -9.969 11.804 2.732
360 3HZ LYS 43 3HZ LYS 43 -10.397 12.015 4.353
361 H GLY 44 H GLY 44 -5.441 11.087 4.174
362 1HA GLY 44 2HA GLY 44 -5.102 12.418 6.467
363 2HA GLY 44 1HA GLY 44 -3.776 11.270 6.550
364 H LEU 45 H LEU 45 -4.439 12.053 3.352
365 HA LEU 45 HA LEU 45 -2.008 13.556 3.141
366 1HB LEU 45 2HB LEU 45 -3.986 13.029 0.931
367 2HB LEU 45 1HB LEU 45 -2.277 13.345 0.802
368 HG LEU 45 HG LEU 45 -2.392 11.078 0.368
369 1HD1 LEU 45 1HD1 LEU 45 -2.099 10.625 3.262
370 2HD1 LEU 45 2HD1 LEU 45 -1.047 11.850 2.553
371 3HD1 LEU 45 3HD1 LEU 45 -1.028 10.201 1.926
372 1HD2 LEU 45 1HD2 LEU 45 -4.679 11.139 2.236
373 2HD2 LEU 45 2HD2 LEU 45 -3.749 9.643 2.170
374 3HD2 LEU 45 3HD2 LEU 45 -4.484 10.290 0.704
375 H LYS 46 H LYS 46 -2.571 15.332 1.068
376 HA LYS 46 HA LYS 46 -4.511 17.189 2.276
377 1HB LYS 46 2HB LYS 46 -1.928 18.167 1.101
378 2HB LYS 46 1HB LYS 46 -3.028 19.001 2.187
379 1HG LYS 46 2HG LYS 46 -2.370 17.517 4.006
380 2HG LYS 46 1HG LYS 46 -1.275 16.664 2.915
381 1HD LYS 46 2HD LYS 46 -0.499 19.260 2.577
382 2HD LYS 46 1HD LYS 46 -0.953 19.237 4.282
383 1HE LYS 46 2HE LYS 46 1.180 18.530 4.539
384 2HE LYS 46 1HE LYS 46 0.463 16.962 4.165
385 1HZ LYS 46 1HZ LYS 46 1.239 18.480 1.842
386 2HZ LYS 46 2HZ LYS 46 1.532 16.858 2.222
387 3HZ LYS 46 3HZ LYS 46 2.536 18.068 2.845
388 HA PRO 47 HA PRO 47 -6.191 17.593 -1.793
389 1HB PRO 47 2HB PRO 47 -6.742 20.409 -1.048
390 2HB PRO 47 1HB PRO 47 -7.862 19.142 -1.559
391 1HG PRO 47 2HG PRO 47 -7.761 19.948 0.984
392 2HG PRO 47 1HG PRO 47 -8.025 18.244 0.569
393 1HD PRO 47 2HD PRO 47 -5.533 19.600 1.524
394 2HD PRO 47 1HD PRO 47 -6.179 18.000 1.945
395 H GLY 48 H GLY 48 -4.272 17.516 -3.021
396 1HA GLY 48 2HA GLY 48 -3.460 18.967 -4.888
397 2HA GLY 48 1HA GLY 48 -3.104 20.160 -3.647
398 H VAL 49 H VAL 49 -2.199 17.963 -1.810
399 HA VAL 49 HA VAL 49 0.528 17.816 -2.844
400 HB VAL 49 HB VAL 49 -0.381 16.880 -0.128
401 1HG1 VAL 49 1HG1 VAL 49 1.785 16.576 0.315
402 2HG1 VAL 49 2HG1 VAL 49 2.236 18.123 -0.403
403 3HG1 VAL 49 3HG1 VAL 49 2.041 16.700 -1.426
404 1HG2 VAL 49 1HG2 VAL 49 0.132 19.070 0.760
405 2HG2 VAL 49 2HG2 VAL 49 -1.126 19.205 -0.469
406 3HG2 VAL 49 3HG2 VAL 49 0.533 19.661 -0.852
407 H VAL 50 H VAL 50 1.402 16.005 -3.634
408 HA VAL 50 HA VAL 50 -0.192 13.562 -3.549
409 HB VAL 50 HB VAL 50 1.651 14.721 -5.465
410 1HG1 VAL 50 1HG1 VAL 50 3.275 13.131 -4.687
411 2HG1 VAL 50 2HG1 VAL 50 2.627 12.562 -6.226
412 3HG1 VAL 50 3HG1 VAL 50 2.079 11.834 -4.715
413 1HG2 VAL 50 1HG2 VAL 50 -0.581 14.185 -6.069
414 2HG2 VAL 50 2HG2 VAL 50 -0.399 12.524 -5.500
415 3HG2 VAL 50 3HG2 VAL 50 0.468 13.064 -6.940
416 H TYR 51 H TYR 51 0.592 11.586 -2.839
417 HA TYR 51 HA TYR 51 3.014 11.758 -1.162
418 1HB TYR 51 2HB TYR 51 0.372 10.423 -0.682
419 2HB TYR 51 1HB TYR 51 1.825 9.804 0.096
420 HD1 TYR 51 1HD TYR 51 0.150 13.103 -0.471
421 HD2 TYR 51 2HD TYR 51 2.261 10.575 2.223
422 HE1 TYR 51 1HE TYR 51 -0.086 14.798 1.294
423 HE2 TYR 51 2HE TYR 51 2.029 12.263 3.996
424 HH TYR 51 HH TYR 51 0.062 15.129 3.560
425 H GLU 52 H GLU 52 4.633 10.502 -1.765
426 HA GLU 52 HA GLU 52 4.204 8.492 -3.812
427 1HB GLU 52 2HB GLU 52 6.576 8.390 -4.020
428 2HB GLU 52 1HB GLU 52 6.156 10.084 -3.828
429 1HG GLU 52 2HG GLU 52 7.291 10.276 -1.914
430 2HG GLU 52 1HG GLU 52 6.747 8.708 -1.318
431 H GLY 53 H GLY 53 4.705 6.268 -3.605
432 1HA GLY 53 2HA GLY 53 5.405 5.242 -0.984
433 2HA GLY 53 1HA GLY 53 3.760 4.904 -1.490
434 H GLN 54 H GLN 54 6.007 3.111 -0.932
435 HA GLN 54 HA GLN 54 5.957 1.611 -3.450
436 1HB GLN 54 2HB GLN 54 8.163 2.349 -3.512
437 2HB GLN 54 1HB GLN 54 8.328 2.329 -1.762
438 1HG GLN 54 2HG GLN 54 8.245 -0.167 -1.870
439 2HG GLN 54 1HG GLN 54 8.319 -0.030 -3.625
440 1HE2 GLN 54 1HE2 GLN 54 10.072 2.495 -2.849
441 2HE2 GLN 54 2HE2 GLN 54 11.640 1.792 -2.682
442 H LEU 55 H LEU 55 5.700 -0.609 -3.211
443 HA LEU 55 HA LEU 55 5.088 -1.488 -0.471
444 1HB LEU 55 2HB LEU 55 3.748 -1.794 -2.991
445 2HB LEU 55 1HB LEU 55 4.137 -3.374 -2.340
446 HG LEU 55 HG LEU 55 2.644 -1.255 -0.796
447 1HD1 LEU 55 1HD1 LEU 55 0.969 -3.419 -1.439
448 2HD1 LEU 55 2HD1 LEU 55 1.746 -2.918 -2.941
449 3HD1 LEU 55 3HD1 LEU 55 0.839 -1.746 -1.984
450 1HD2 LEU 55 1HD2 LEU 55 2.892 -2.618 0.935
451 2HD2 LEU 55 2HD2 LEU 55 3.858 -3.711 -0.054
452 3HD2 LEU 55 3HD2 LEU 55 2.108 -3.914 0.031
453 H ILE 56 H ILE 56 6.799 -2.513 0.392
454 HA ILE 56 HA ILE 56 8.393 -4.302 -1.294
455 HB ILE 56 HB ILE 56 8.886 -3.320 1.523
456 1HG1 ILE 56 2HG1 ILE 56 10.970 -2.401 0.166
457 2HG1 ILE 56 1HG1 ILE 56 9.847 -2.509 -1.186
458 1HG2 ILE 56 1HG2 ILE 56 9.900 -5.625 0.192
459 2HG2 ILE 56 2HG2 ILE 56 10.316 -4.998 1.787
460 3HG2 ILE 56 3HG2 ILE 56 11.211 -4.457 0.366
461 1HD1 ILE 56 1HD1 ILE 56 8.984 -1.138 1.307
462 2HD1 ILE 56 2HD1 ILE 56 8.490 -0.860 -0.363
463 3HD1 ILE 56 3HD1 ILE 56 10.071 -0.309 0.193
464 H SER 57 H SER 57 8.437 -6.485 -1.000
465 HA SER 57 HA SER 57 6.541 -7.547 0.982
466 1HB SER 57 2HB SER 57 5.649 -8.688 -0.712
467 2HB SER 57 1HB SER 57 6.869 -8.038 -1.810
468 HG SER 57 HG SER 57 7.929 -9.859 -1.711
469 H ILE 58 H ILE 58 7.181 -8.900 2.472
470 HA ILE 58 HA ILE 58 9.961 -9.881 2.394
471 HB ILE 58 HB ILE 58 8.299 -9.454 4.878
472 1HG1 ILE 58 2HG1 ILE 58 10.578 -7.669 4.125
473 2HG1 ILE 58 1HG1 ILE 58 9.007 -7.389 3.385
474 1HG2 ILE 58 1HG2 ILE 58 9.912 -10.817 5.663
475 2HG2 ILE 58 2HG2 ILE 58 10.887 -9.348 5.647
476 3HG2 ILE 58 3HG2 ILE 58 10.994 -10.491 4.309
477 1HD1 ILE 58 1HD1 ILE 58 9.824 -7.136 6.240
478 2HD1 ILE 58 2HD1 ILE 58 8.136 -7.430 5.823
479 3HD1 ILE 58 3HD1 ILE 58 8.957 -5.994 5.212
480 H GLN 59 H GLN 59 10.194 -12.000 2.165
481 HA GLN 59 HA GLN 59 7.967 -13.757 2.963
482 1HB GLN 59 2HB GLN 59 10.058 -14.534 0.953
483 2HB GLN 59 1HB GLN 59 8.440 -15.185 1.167
484 1HG GLN 59 2HG GLN 59 7.845 -12.636 0.543
485 2HG GLN 59 1HG GLN 59 9.356 -12.833 -0.345
486 1HE2 GLN 59 1HE2 GLN 59 9.146 -15.528 -1.003
487 2HE2 GLN 59 2HE2 GLN 59 7.850 -15.728 -2.127
488 H GLN 60 H GLN 60 8.868 -16.130 3.226
489 HA GLN 60 HA GLN 60 10.507 -16.102 5.529
490 1HB GLN 60 2HB GLN 60 10.410 -18.560 5.378
491 2HB GLN 60 1HB GLN 60 8.825 -17.826 5.196
492 1HG GLN 60 2HG GLN 60 8.936 -18.129 2.791
493 2HG GLN 60 1HG GLN 60 10.554 -18.812 2.938
494 1HE2 GLN 60 1HE2 GLN 60 7.678 -19.348 4.919
495 2HE2 GLN 60 2HE2 GLN 60 7.571 -21.047 4.621
496 H TYR 61 H TYR 61 11.164 -16.627 2.133
497 HA TYR 61 HA TYR 61 13.961 -17.268 2.751
498 1HB TYR 61 2HB TYR 61 12.128 -17.964 0.572
499 2HB TYR 61 1HB TYR 61 13.721 -17.464 0.016
500 HD1 TYR 61 1HD TYR 61 11.798 -20.188 1.122
501 HD2 TYR 61 2HD TYR 61 15.738 -18.589 1.303
502 HE1 TYR 61 1HE TYR 61 12.676 -22.424 1.647
503 HE2 TYR 61 2HE TYR 61 16.627 -20.821 1.826
504 HH TYR 61 HH TYR 61 14.654 -23.417 2.739
505 H GLY 62 H GLY 62 12.158 -14.614 2.283
506 1HA GLY 62 2HA GLY 62 12.702 -12.430 1.831
507 2HA GLY 62 1HA GLY 62 14.382 -12.936 1.765
508 H HIS 63 H HIS 63 11.454 -12.437 -0.072
509 HA HIS 63 HA HIS 63 12.888 -12.895 -2.586
510 1HB HIS 63 2HB HIS 63 10.064 -12.947 -1.743
511 2HB HIS 63 1HB HIS 63 10.350 -12.223 -3.321
512 HD2 HIS 63 2HD HIS 63 11.582 -15.581 -1.620
513 HE1 HIS 63 1HE HIS 63 10.498 -16.268 -5.652
514 HE2 HIS 63 2HE HIS 63 11.207 -17.356 -3.474
515 H GLN 64 H GLN 64 11.107 -10.434 -0.812
516 HA GLN 64 HA GLN 64 11.121 -8.172 -0.890
517 1HB GLN 64 2HB GLN 64 13.693 -8.884 -2.159
518 2HB GLN 64 1HB GLN 64 13.102 -7.259 -2.480
519 1HG GLN 64 2HG GLN 64 13.059 -6.734 -0.159
520 2HG GLN 64 1HG GLN 64 13.386 -8.410 0.282
521 1HE2 GLN 64 1HE2 GLN 64 14.965 -6.552 1.353
522 2HE2 GLN 64 2HE2 GLN 64 16.532 -6.564 0.627
523 H GLU 65 H GLU 65 9.114 -8.344 -2.040
524 HA GLU 65 HA GLU 65 9.245 -7.829 -4.924
525 1HB GLU 65 2HB GLU 65 7.579 -9.456 -3.542
526 2HB GLU 65 1HB GLU 65 6.623 -7.982 -3.543
527 1HG GLU 65 2HG GLU 65 6.793 -7.900 -5.999
528 2HG GLU 65 1HG GLU 65 7.681 -9.423 -5.966
529 H VAL 66 H VAL 66 9.024 -5.816 -5.698
530 HA VAL 66 HA VAL 66 7.919 -3.781 -3.880
531 HB VAL 66 HB VAL 66 10.162 -3.290 -3.826
532 1HG1 VAL 66 1HG1 VAL 66 11.684 -3.436 -5.725
533 2HG1 VAL 66 2HG1 VAL 66 10.344 -3.922 -6.765
534 3HG1 VAL 66 3HG1 VAL 66 10.857 -4.969 -5.441
535 1HG2 VAL 66 1HG2 VAL 66 8.759 -1.681 -5.897
536 2HG2 VAL 66 2HG2 VAL 66 10.490 -1.426 -5.680
537 3HG2 VAL 66 3HG2 VAL 66 9.389 -1.198 -4.322
538 H THR 67 H THR 67 6.516 -2.350 -4.640
539 HA THR 67 HA THR 67 6.099 -2.073 -7.528
540 HB THR 67 HB THR 67 3.809 -2.446 -5.585
541 HG1 THR 67 1HG THR 67 5.299 -4.339 -6.338
542 1HG2 THR 67 1HG2 THR 67 2.374 -2.263 -7.395
543 2HG2 THR 67 2HG2 THR 67 3.636 -2.646 -8.566
544 3HG2 THR 67 3HG2 THR 67 3.608 -1.065 -7.786
545 H ARG 68 H ARG 68 6.153 0.038 -8.031
546 HA ARG 68 HA ARG 68 5.927 2.019 -5.924
547 1HB ARG 68 2HB ARG 68 6.386 2.597 -8.843
548 2HB ARG 68 1HB ARG 68 6.850 3.567 -7.452
549 1HG ARG 68 2HG ARG 68 8.216 1.292 -6.946
550 2HG ARG 68 1HG ARG 68 8.210 1.291 -8.711
551 1HD ARG 68 2HD ARG 68 8.787 3.926 -7.734
552 2HD ARG 68 1HD ARG 68 9.881 2.758 -6.992
553 HE ARG 68 HE ARG 68 9.573 3.180 -9.892
554 1HH1 ARG 68 1HH1 ARG 68 11.424 2.136 -7.131
555 2HH1 ARG 68 2HH1 ARG 68 12.861 1.827 -8.048
556 1HH2 ARG 68 1HH2 ARG 68 11.464 2.779 -11.107
557 2HH2 ARG 68 2HH2 ARG 68 12.883 2.192 -10.307
558 H PHE 69 H PHE 69 4.385 3.588 -5.732
559 HA PHE 69 HA PHE 69 2.341 3.935 -7.739
560 1HB PHE 69 2HB PHE 69 0.509 3.506 -5.983
561 2HB PHE 69 1HB PHE 69 1.258 2.110 -6.746
562 HD1 PHE 69 1HD PHE 69 1.808 0.360 -5.384
563 HD2 PHE 69 2HD PHE 69 1.793 4.290 -3.753
564 HE1 PHE 69 1HE PHE 69 2.344 -0.560 -3.168
565 HE2 PHE 69 2HE PHE 69 2.339 3.377 -1.530
566 HZ PHE 69 HZ PHE 69 2.612 0.947 -1.240
567 H ASP 70 H ASP 70 0.963 5.727 -7.346
568 HA ASP 70 HA ASP 70 1.907 7.552 -5.231
569 1HB ASP 70 2HB ASP 70 0.823 8.529 -7.864
570 2HB ASP 70 1HB ASP 70 1.806 9.396 -6.690
571 H PHE 71 H PHE 71 0.335 8.242 -3.877
572 HA PHE 71 HA PHE 71 -2.417 8.335 -4.839
573 1HB PHE 71 2HB PHE 71 -3.305 6.860 -3.242
574 2HB PHE 71 1HB PHE 71 -1.863 6.039 -3.832
575 HD1 PHE 71 1HD PHE 71 0.125 5.857 -2.427
576 HD2 PHE 71 2HD PHE 71 -3.447 7.671 -0.989
577 HE1 PHE 71 1HE PHE 71 0.969 5.682 -0.123
578 HE2 PHE 71 2HE PHE 71 -2.612 7.502 1.318
579 HZ PHE 71 HZ PHE 71 -0.399 6.504 1.754
580 H THR 72 H THR 72 -3.852 9.521 -3.567
581 HA THR 72 HA THR 72 -2.876 10.968 -1.248
582 HB THR 72 HB THR 72 -2.834 13.065 -2.074
583 HG1 THR 72 1HG THR 72 -4.805 12.467 -4.031
584 1HG2 THR 72 1HG2 THR 72 -2.428 13.148 -4.622
585 2HG2 THR 72 2HG2 THR 72 -2.530 11.389 -4.545
586 3HG2 THR 72 3HG2 THR 72 -1.291 12.243 -3.623
587 H THR 73 H THR 73 -4.719 12.324 -0.306
588 HA THR 73 HA THR 73 -7.012 10.668 -0.059
589 HB THR 73 HB THR 73 -6.475 11.936 1.859
590 HG1 THR 73 1HG THR 73 -8.411 13.190 2.135
591 1HG2 THR 73 1HG2 THR 73 -5.792 13.959 -0.031
592 2HG2 THR 73 2HG2 THR 73 -5.438 13.896 1.694
593 3HG2 THR 73 3HG2 THR 73 -6.937 14.636 1.128
594 H THR 74 H THR 74 -6.306 13.574 -1.907
595 HA THR 74 HA THR 74 -8.578 13.081 -3.603
596 HB THR 74 HB THR 74 -9.793 14.307 -1.967
597 HG1 THR 74 1HG THR 74 -10.597 15.311 -3.644
598 1HG2 THR 74 1HG2 THR 74 -8.618 15.564 -0.534
599 2HG2 THR 74 2HG2 THR 74 -8.701 16.836 -1.753
600 3HG2 THR 74 3HG2 THR 74 -7.295 15.775 -1.680
601 H SER 75 H SER 75 -6.426 12.824 -4.762
602 HA SER 75 HA SER 75 -6.048 15.112 -6.446
603 1HB SER 75 2HB SER 75 -4.379 16.022 -5.213
604 2HB SER 75 1HB SER 75 -4.124 14.540 -4.287
605 HG SER 75 HG SER 75 -2.849 13.756 -5.936
606 H THR 76 H THR 76 -4.092 12.286 -5.501
607 HA THR 76 HA THR 76 -3.243 10.539 -6.671
608 HB THR 76 HB THR 76 -5.054 10.222 -8.829
609 HG1 THR 76 1HG THR 76 -6.875 10.989 -8.089
610 1HG2 THR 76 1HG2 THR 76 -5.257 8.146 -7.952
611 2HG2 THR 76 2HG2 THR 76 -5.554 8.750 -6.322
612 3HG2 THR 76 3HG2 THR 76 -3.905 8.664 -6.944
613 H SER 77 H SER 77 -1.464 10.710 -7.841
614 HA SER 77 HA SER 77 -1.407 12.544 -10.118
615 1HB SER 77 2HB SER 77 0.527 13.047 -9.046
616 2HB SER 77 1HB SER 77 0.592 11.487 -8.227
617 HG SER 77 HG SER 77 1.772 10.700 -9.800
618 H THR 78 H THR 78 -1.734 11.787 -12.087
619 HA THR 78 HA THR 78 -0.444 9.386 -13.003
620 HB THR 78 HB THR 78 -2.294 8.220 -12.132
621 HG1 THR 78 1HG THR 78 -2.300 7.326 -14.060
622 1HG2 THR 78 1HG2 THR 78 -4.206 10.155 -13.425
623 2HG2 THR 78 2HG2 THR 78 -3.661 10.317 -11.756
624 3HG2 THR 78 3HG2 THR 78 -4.567 8.887 -12.253
625 HA PRO 79 HA PRO 79 -1.250 12.662 -16.206
626 1HB PRO 79 2HB PRO 79 1.313 13.176 -16.857
627 2HB PRO 79 1HB PRO 79 0.518 13.949 -15.480
628 1HG PRO 79 2HG PRO 79 2.423 11.648 -15.525
629 2HG PRO 79 1HG PRO 79 2.329 13.002 -14.385
630 1HD PRO 79 2HD PRO 79 1.325 10.491 -13.890
631 2HD PRO 79 1HD PRO 79 0.731 11.973 -13.115
632 H GLY 80 H GLY 80 1.761 10.857 -16.781
633 1HA GLY 80 2HA GLY 80 0.456 9.213 -18.802
634 2HA GLY 80 1HA GLY 80 1.661 10.353 -19.387
635 H SER 81 H SER 81 2.067 7.749 -19.902
636 HA SER 81 HA SER 81 3.551 6.039 -19.722
637 1HB SER 81 2HB SER 81 5.011 8.295 -19.550
638 2HB SER 81 1HB SER 81 5.410 7.572 -17.991
639 HG SER 81 HG SER 81 6.370 6.944 -20.380
640 H ARG 82 H ARG 82 5.250 5.131 -17.809
641 HA ARG 82 HA ARG 82 5.297 3.821 -15.952
642 1HB ARG 82 2HB ARG 82 3.847 6.263 -14.982
643 2HB ARG 82 1HB ARG 82 4.086 4.890 -13.909
644 1HG ARG 82 2HG ARG 82 6.567 5.087 -14.545
645 2HG ARG 82 1HG ARG 82 6.134 6.690 -15.143
646 1HD ARG 82 2HD ARG 82 4.955 6.488 -12.616
647 2HD ARG 82 1HD ARG 82 6.567 5.793 -12.439
648 HE ARG 82 HE ARG 82 6.277 8.414 -13.717
649 1HH1 ARG 82 1HH1 ARG 82 7.347 6.478 -11.022
650 2HH1 ARG 82 2HH1 ARG 82 8.339 7.730 -10.352
651 1HH2 ARG 82 1HH2 ARG 82 7.578 10.066 -12.840
652 2HH2 ARG 82 2HH2 ARG 82 8.469 9.770 -11.385
653 H SER 83 H SER 83 3.219 3.334 -17.894
654 HA SER 83 HA SER 83 1.229 2.048 -16.143
655 1HB SER 83 2HB SER 83 0.835 3.508 -18.744
656 2HB SER 83 1HB SER 83 -0.307 2.269 -18.221
657 HG SER 83 HG SER 83 -0.848 3.485 -16.487
658 H HIS 84 H HIS 84 3.209 1.870 -19.022
659 HA HIS 84 HA HIS 84 2.721 -1.031 -19.107
660 1HB HIS 84 2HB HIS 84 2.319 0.934 -21.192
661 2HB HIS 84 1HB HIS 84 3.510 -0.265 -21.686
662 HD2 HIS 84 2HD HIS 84 2.530 -2.717 -22.346
663 HE1 HIS 84 1HE HIS 84 -1.493 -1.889 -21.325
664 HE2 HIS 84 2HE HIS 84 0.104 -3.629 -22.250
665 H HIS 85 H HIS 85 4.937 1.459 -18.748
666 HA HIS 85 HA HIS 85 7.233 0.404 -19.988
667 1HB HIS 85 2HB HIS 85 6.667 2.719 -18.686
668 2HB HIS 85 1HB HIS 85 7.639 1.895 -17.471
669 HD2 HIS 85 2HD HIS 85 8.185 4.246 -20.252
670 HE1 HIS 85 1HE HIS 85 11.713 1.918 -20.069
671 HE2 HIS 85 2HE HIS 85 10.606 3.938 -21.129
672 H HIS 86 H HIS 86 7.473 -1.776 -19.594
673 HA HIS 86 HA HIS 86 8.885 -2.513 -17.255
674 1HB HIS 86 2HB HIS 86 6.176 -2.513 -16.826
675 2HB HIS 86 1HB HIS 86 6.467 -4.182 -17.303
676 HD2 HIS 86 2HD HIS 86 6.059 -2.545 -14.160
677 HE1 HIS 86 1HE HIS 86 9.411 -5.038 -13.491
678 HE2 HIS 86 2HE HIS 86 7.717 -3.494 -12.407
679 H HIS 87 H HIS 87 8.148 -5.295 -17.284
680 HA HIS 87 HA HIS 87 8.695 -7.238 -18.322
681 1HB HIS 87 2HB HIS 87 7.356 -5.641 -20.362
682 2HB HIS 87 1HB HIS 87 8.491 -6.794 -21.054
683 HD2 HIS 87 2HD HIS 87 6.125 -8.093 -22.018
684 HE1 HIS 87 1HE HIS 87 5.228 -9.706 -18.210
685 HE2 HIS 87 2HE HIS 87 4.844 -9.927 -20.706
686 H HIS 88 H HIS 88 9.732 -5.455 -21.152
687 HA HIS 88 HA HIS 88 12.465 -6.378 -20.664
688 1HB HIS 88 2HB HIS 88 10.813 -6.115 -22.992
689 2HB HIS 88 1HB HIS 88 12.257 -5.131 -23.201
690 HD2 HIS 88 2HD HIS 88 13.583 -6.745 -24.934
691 HE1 HIS 88 1HE HIS 88 13.599 -10.178 -22.460
692 HE2 HIS 88 2HE HIS 88 14.323 -9.218 -24.693
693 H HIS 89 H HIS 89 13.994 -5.038 -19.993
694 HA HIS 89 HA HIS 89 15.072 -3.138 -19.352
695 1HB HIS 89 2HB HIS 89 14.374 -2.861 -22.126
696 2HB HIS 89 1HB HIS 89 14.323 -1.281 -21.351
697 HD2 HIS 89 2HD HIS 89 16.663 -0.119 -21.881
698 HE1 HIS 89 1HE HIS 89 19.129 -3.491 -21.203
699 HE2 HIS 89 2HE HIS 89 19.091 -0.988 -21.602
Start of MODEL 12
1 1H MET 1 1HT MET 1 14.514 -4.470 -9.368
2 2H MET 1 2HT MET 1 13.884 -2.916 -9.590
3 3H MET 1 3HT MET 1 15.496 -3.115 -9.117
4 HA MET 1 HA MET 1 14.294 -3.288 -11.740
5 1HB MET 1 2HB MET 1 16.335 -1.899 -10.455
6 2HB MET 1 1HB MET 1 17.186 -3.024 -11.504
7 1HG MET 1 2HG MET 1 15.791 -2.198 -13.399
8 2HG MET 1 1HG MET 1 15.149 -0.967 -12.312
9 1HE MET 1 1HE MET 1 16.915 -1.163 -15.137
10 2HE MET 1 2HE MET 1 18.320 -2.027 -14.513
11 3HE MET 1 3HE MET 1 18.474 -0.345 -15.021
12 H ARG 2 H ARG 2 13.760 -5.592 -11.672
13 HA ARG 2 HA ARG 2 16.107 -7.336 -12.007
14 1HB ARG 2 2HB ARG 2 13.597 -7.673 -10.636
15 2HB ARG 2 1HB ARG 2 13.774 -8.909 -11.874
16 1HG ARG 2 2HG ARG 2 16.242 -8.911 -10.690
17 2HG ARG 2 1HG ARG 2 15.162 -8.588 -9.332
18 1HD ARG 2 2HD ARG 2 15.109 -10.868 -9.319
19 2HD ARG 2 1HD ARG 2 13.775 -10.551 -10.428
20 HE ARG 2 HE ARG 2 16.272 -10.819 -11.787
21 1HH1 ARG 2 1HH1 ARG 2 13.654 -12.604 -10.335
22 2HH1 ARG 2 2HH1 ARG 2 13.905 -14.014 -11.309
23 1HH2 ARG 2 1HH2 ARG 2 16.606 -12.670 -13.076
24 2HH2 ARG 2 2HH2 ARG 2 15.582 -14.051 -12.867
25 H GLY 3 H GLY 3 12.908 -6.602 -13.367
26 1HA GLY 3 2HA GLY 3 13.246 -6.324 -15.929
27 2HA GLY 3 1HA GLY 3 13.660 -8.029 -15.822
28 H SER 4 H SER 4 11.973 -9.441 -14.795
29 HA SER 4 HA SER 4 9.258 -8.445 -15.331
30 1HB SER 4 2HB SER 4 8.685 -10.608 -16.368
31 2HB SER 4 1HB SER 4 9.969 -9.789 -17.257
32 HG SER 4 HG SER 4 10.257 -12.113 -16.767
33 H ASN 5 H ASN 5 7.598 -9.371 -14.101
34 HA ASN 5 HA ASN 5 8.511 -10.973 -11.802
35 1HB ASN 5 2HB ASN 5 6.294 -8.915 -11.808
36 2HB ASN 5 1HB ASN 5 6.866 -9.831 -10.418
37 1HD2 ASN 5 1HD2 ASN 5 7.374 -7.127 -12.454
38 2HD2 ASN 5 2HD2 ASN 5 8.742 -6.475 -11.624
39 H ALA 6 H ALA 6 6.591 -10.906 -14.520
40 HA ALA 6 HA ALA 6 5.017 -12.297 -15.380
41 1HB ALA 6 1HB ALA 6 5.402 -14.110 -13.017
42 2HB ALA 6 2HB ALA 6 6.587 -14.002 -14.319
43 3HB ALA 6 3HB ALA 6 4.941 -14.531 -14.666
44 HA PRO 7 HA PRO 7 1.524 -10.504 -13.170
45 1HB PRO 7 2HB PRO 7 0.053 -11.774 -15.411
46 2HB PRO 7 1HB PRO 7 0.019 -10.101 -14.846
47 1HG PRO 7 2HG PRO 7 1.274 -10.769 -17.107
48 2HG PRO 7 1HG PRO 7 1.927 -9.526 -16.023
49 1HD PRO 7 2HD PRO 7 2.791 -12.363 -16.397
50 2HD PRO 7 1HD PRO 7 3.775 -10.912 -16.116
51 H GLN 8 H GLN 8 1.681 -12.006 -11.423
52 HA GLN 8 HA GLN 8 -0.533 -13.751 -11.204
53 1HB GLN 8 2HB GLN 8 1.036 -15.144 -12.607
54 2HB GLN 8 1HB GLN 8 2.144 -15.150 -11.243
55 1HG GLN 8 2HG GLN 8 -0.096 -16.000 -10.025
56 2HG GLN 8 1HG GLN 8 -0.369 -16.624 -11.651
57 1HE2 GLN 8 1HE2 GLN 8 2.217 -17.198 -12.414
58 2HE2 GLN 8 2HE2 GLN 8 2.827 -18.485 -11.437
59 HA PRO 9 HA PRO 9 1.448 -12.185 -7.284
60 1HB PRO 9 2HB PRO 9 -0.678 -10.812 -6.352
61 2HB PRO 9 1HB PRO 9 0.467 -10.110 -7.503
62 1HG PRO 9 2HG PRO 9 -2.227 -11.316 -8.009
63 2HG PRO 9 1HG PRO 9 -1.523 -9.831 -8.678
64 1HD PRO 9 2HD PRO 9 -1.587 -12.186 -10.039
65 2HD PRO 9 1HD PRO 9 -0.311 -10.972 -10.264
66 H SER 10 H SER 10 1.015 -12.830 -5.143
67 HA SER 10 HA SER 10 -1.321 -14.486 -4.622
68 1HB SER 10 2HB SER 10 1.379 -15.552 -5.065
69 2HB SER 10 1HB SER 10 0.656 -16.072 -3.543
70 HG SER 10 HG SER 10 -1.149 -16.213 -5.535
71 H HIS 11 H HIS 11 -0.364 -15.608 -2.207
72 HA HIS 11 HA HIS 11 -0.357 -13.201 -0.558
73 1HB HIS 11 2HB HIS 11 -0.614 -16.060 0.379
74 2HB HIS 11 1HB HIS 11 -1.025 -14.595 1.268
75 HD2 HIS 11 2HD HIS 11 -2.796 -17.263 -0.547
76 HE1 HIS 11 1HE HIS 11 -5.177 -13.804 -1.070
77 HE2 HIS 11 2HE HIS 11 -5.158 -16.339 -1.094
78 H ILE 12 H ILE 12 1.320 -12.516 0.572
79 HA ILE 12 HA ILE 12 3.789 -14.111 0.538
80 HB ILE 12 HB ILE 12 3.996 -11.922 -0.491
81 1HG1 ILE 12 2HG1 ILE 12 5.407 -11.137 1.915
82 2HG1 ILE 12 1HG1 ILE 12 5.602 -12.863 1.613
83 1HG2 ILE 12 1HG2 ILE 12 3.778 -10.071 1.553
84 2HG2 ILE 12 2HG2 ILE 12 2.385 -11.129 1.783
85 3HG2 ILE 12 3HG2 ILE 12 2.633 -10.321 0.236
86 1HD1 ILE 12 1HD1 ILE 12 7.029 -12.488 -0.037
87 2HD1 ILE 12 2HD1 ILE 12 7.045 -10.799 0.471
88 3HD1 ILE 12 3HD1 ILE 12 5.946 -11.327 -0.804
89 H SER 13 H SER 13 5.147 -14.095 2.462
90 HA SER 13 HA SER 13 3.869 -14.805 4.809
91 1HB SER 13 2HB SER 13 6.556 -14.461 3.948
92 2HB SER 13 1HB SER 13 6.386 -13.593 5.472
93 HG SER 13 HG SER 13 6.131 -15.426 6.492
94 H LYS 14 H LYS 14 4.959 -11.663 3.681
95 HA LYS 14 HA LYS 14 3.074 -10.288 5.296
96 1HB LYS 14 2HB LYS 14 4.624 -9.016 6.698
97 2HB LYS 14 1HB LYS 14 4.722 -10.736 7.049
98 1HG LYS 14 2HG LYS 14 6.845 -10.913 6.294
99 2HG LYS 14 1HG LYS 14 6.625 -9.681 5.050
100 1HD LYS 14 2HD LYS 14 7.521 -8.127 6.365
101 2HD LYS 14 1HD LYS 14 6.372 -8.499 7.652
102 1HE LYS 14 2HE LYS 14 8.823 -10.162 7.147
103 2HE LYS 14 1HE LYS 14 8.842 -8.751 8.204
104 1HZ LYS 14 1HZ LYS 14 7.168 -11.182 8.536
105 2HZ LYS 14 2HZ LYS 14 7.066 -9.804 9.512
106 3HZ LYS 14 3HZ LYS 14 8.484 -10.724 9.497
107 H TYR 15 H TYR 15 2.750 -8.209 4.611
108 HA TYR 15 HA TYR 15 4.450 -7.260 2.395
109 1HB TYR 15 2HB TYR 15 1.691 -7.851 2.416
110 2HB TYR 15 1HB TYR 15 1.800 -6.098 2.421
111 HD1 TYR 15 1HD TYR 15 1.228 -8.649 0.314
112 HD2 TYR 15 2HD TYR 15 3.956 -5.406 0.709
113 HE1 TYR 15 1HE TYR 15 1.597 -8.669 -2.117
114 HE2 TYR 15 2HE TYR 15 4.333 -5.420 -1.722
115 HH TYR 15 HH TYR 15 3.545 -6.206 -3.705
116 H ILE 16 H ILE 16 5.279 -5.204 2.602
117 HA ILE 16 HA ILE 16 4.310 -3.645 4.907
118 HB ILE 16 HB ILE 16 7.078 -3.750 3.717
119 1HG1 ILE 16 2HG1 ILE 16 7.439 -4.077 6.340
120 2HG1 ILE 16 1HG1 ILE 16 5.785 -4.671 6.241
121 1HG2 ILE 16 1HG2 ILE 16 7.013 -2.084 6.009
122 2HG2 ILE 16 2HG2 ILE 16 5.748 -1.520 4.912
123 3HG2 ILE 16 3HG2 ILE 16 7.415 -1.642 4.350
124 1HD1 ILE 16 1HD1 ILE 16 6.682 -6.637 5.741
125 2HD1 ILE 16 2HD1 ILE 16 8.266 -5.926 5.432
126 3HD1 ILE 16 3HD1 ILE 16 7.047 -5.952 4.158
127 H LEU 17 H LEU 17 3.770 -1.572 4.650
128 HA LEU 17 HA LEU 17 3.880 -0.499 1.917
129 1HB LEU 17 2HB LEU 17 1.656 -0.988 3.372
130 2HB LEU 17 1HB LEU 17 2.004 0.654 3.879
131 HG LEU 17 HG LEU 17 2.197 0.491 1.017
132 1HD1 LEU 17 1HD1 LEU 17 0.126 -0.298 0.352
133 2HD1 LEU 17 2HD1 LEU 17 -0.565 -0.159 1.969
134 3HD1 LEU 17 3HD1 LEU 17 0.577 -1.454 1.606
135 1HD2 LEU 17 1HD2 LEU 17 -0.095 1.903 2.098
136 2HD2 LEU 17 2HD2 LEU 17 1.305 2.519 1.221
137 3HD2 LEU 17 3HD2 LEU 17 1.392 2.280 2.965
138 H ARG 18 H ARG 18 5.376 1.027 1.721
139 HA ARG 18 HA ARG 18 5.812 2.826 4.005
140 1HB ARG 18 2HB ARG 18 7.730 1.543 2.115
141 2HB ARG 18 1HB ARG 18 8.108 3.149 2.726
142 1HG ARG 18 2HG ARG 18 8.556 2.403 4.802
143 2HG ARG 18 1HG ARG 18 7.287 1.178 4.752
144 1HD ARG 18 2HD ARG 18 8.691 -0.416 4.036
145 2HD ARG 18 1HD ARG 18 9.482 0.673 2.895
146 HE ARG 18 HE ARG 18 10.938 1.382 4.638
147 1HH1 ARG 18 1HH1 ARG 18 8.855 -1.270 5.514
148 2HH1 ARG 18 2HH1 ARG 18 9.834 -1.764 6.853
149 1HH2 ARG 18 1HH2 ARG 18 12.231 0.741 6.400
150 2HH2 ARG 18 2HH2 ARG 18 11.755 -0.621 7.357
151 H TRP 19 H TRP 19 5.409 4.923 3.666
152 HA TRP 19 HA TRP 19 5.694 6.020 1.003
153 1HB TRP 19 2HB TRP 19 3.459 6.701 0.665
154 2HB TRP 19 1HB TRP 19 3.385 5.005 1.116
155 HD1 TRP 19 HD TRP 19 2.094 8.377 2.090
156 HE1 TRP 19 1HE TRP 19 0.583 8.166 4.164
157 HE3 TRP 19 3HE TRP 19 3.215 3.572 3.424
158 HZ2 TRP 19 2HZ TRP 19 -0.043 6.223 6.111
159 HZ3 TRP 19 3HZ TRP 19 2.117 2.612 5.405
160 HH2 TRP 19 HH TRP 19 0.521 3.911 6.720
161 H ARG 20 H ARG 20 5.547 8.262 0.864
162 HA ARG 20 HA ARG 20 5.259 9.910 3.196
163 1HB ARG 20 2HB ARG 20 7.579 10.856 3.000
164 2HB ARG 20 1HB ARG 20 7.518 9.213 3.620
165 1HG ARG 20 2HG ARG 20 9.136 8.840 2.123
166 2HG ARG 20 1HG ARG 20 7.803 8.743 0.972
167 1HD ARG 20 2HD ARG 20 8.251 11.423 1.055
168 2HD ARG 20 1HD ARG 20 9.879 10.791 1.295
169 HE ARG 20 HE ARG 20 8.319 9.725 -0.929
170 1HH1 ARG 20 1HH1 ARG 20 10.900 11.780 0.195
171 2HH1 ARG 20 2HH1 ARG 20 11.632 11.931 -1.368
172 1HH2 ARG 20 1HH2 ARG 20 9.279 9.916 -2.987
173 2HH2 ARG 20 2HH2 ARG 20 10.711 10.872 -3.176
174 HA PRO 21 HA PRO 21 4.129 12.964 0.221
175 1HB PRO 21 2HB PRO 21 6.074 14.849 1.463
176 2HB PRO 21 1HB PRO 21 4.342 15.049 1.168
177 1HG PRO 21 2HG PRO 21 5.197 14.579 3.625
178 2HG PRO 21 1HG PRO 21 3.749 13.751 3.012
179 1HD PRO 21 2HD PRO 21 6.544 12.701 3.293
180 2HD PRO 21 1HD PRO 21 5.001 11.915 3.696
181 H LYS 22 H LYS 22 4.795 12.626 -1.795
182 HA LYS 22 HA LYS 22 7.437 12.275 -2.642
183 1HB LYS 22 2HB LYS 22 5.242 11.647 -3.823
184 2HB LYS 22 1HB LYS 22 5.237 13.299 -4.423
185 1HG LYS 22 2HG LYS 22 7.308 12.948 -5.581
186 2HG LYS 22 1HG LYS 22 7.487 11.347 -4.856
187 1HD LYS 22 2HD LYS 22 6.660 10.886 -6.985
188 2HD LYS 22 1HD LYS 22 5.222 10.828 -5.967
189 1HE LYS 22 2HE LYS 22 5.998 13.395 -7.277
190 2HE LYS 22 1HE LYS 22 5.193 12.144 -8.225
191 1HZ LYS 22 1HZ LYS 22 4.168 13.670 -5.924
192 2HZ LYS 22 2HZ LYS 22 3.517 12.152 -6.289
193 3HZ LYS 22 3HZ LYS 22 3.447 13.398 -7.431
194 H ASN 23 H ASN 23 5.541 15.146 -2.169
195 HA ASN 23 HA ASN 23 7.195 16.885 -3.722
196 1HB ASN 23 2HB ASN 23 4.849 17.432 -3.242
197 2HB ASN 23 1HB ASN 23 5.218 17.525 -1.522
198 1HD2 ASN 23 1HD2 ASN 23 5.861 18.972 -4.655
199 2HD2 ASN 23 2HD2 ASN 23 6.281 20.535 -4.054
200 H SER 24 H SER 24 7.050 15.912 -0.344
201 HA SER 24 HA SER 24 9.260 17.700 0.327
202 1HB SER 24 2HB SER 24 7.120 17.233 1.782
203 2HB SER 24 1HB SER 24 8.024 15.807 2.293
204 HG SER 24 HG SER 24 9.765 17.644 2.513
205 H VAL 25 H VAL 25 10.362 16.106 2.408
206 HA VAL 25 HA VAL 25 11.461 13.780 1.002
207 HB VAL 25 HB VAL 25 13.105 15.428 0.530
208 1HG1 VAL 25 1HG1 VAL 25 12.548 17.203 1.974
209 2HG1 VAL 25 2HG1 VAL 25 14.182 16.719 2.429
210 3HG1 VAL 25 3HG1 VAL 25 12.807 16.219 3.415
211 1HG2 VAL 25 1HG2 VAL 25 13.697 13.157 1.908
212 2HG2 VAL 25 2HG2 VAL 25 14.509 14.381 2.883
213 3HG2 VAL 25 3HG2 VAL 25 14.891 14.224 1.169
214 H GLY 26 H GLY 26 11.858 12.050 2.287
215 1HA GLY 26 2HA GLY 26 12.099 10.778 4.193
216 2HA GLY 26 1HA GLY 26 12.321 12.265 5.102
217 H ARG 27 H ARG 27 11.061 11.097 6.728
218 HA ARG 27 HA ARG 27 9.170 10.786 7.940
219 1HB ARG 27 2HB ARG 27 8.446 12.972 6.075
220 2HB ARG 27 1HB ARG 27 7.115 12.170 6.895
221 1HG ARG 27 2HG ARG 27 8.789 12.588 8.971
222 2HG ARG 27 1HG ARG 27 9.176 13.975 7.951
223 1HD ARG 27 2HD ARG 27 7.339 14.331 9.643
224 2HD ARG 27 1HD ARG 27 6.937 14.737 7.976
225 HE ARG 27 HE ARG 27 6.141 12.120 8.346
226 1HH1 ARG 27 1HH1 ARG 27 5.383 15.232 9.723
227 2HH1 ARG 27 2HH1 ARG 27 3.753 14.801 10.116
228 1HH2 ARG 27 1HH2 ARG 27 3.998 11.548 8.863
229 2HH2 ARG 27 2HH2 ARG 27 2.966 12.709 9.629
230 H TRP 28 H TRP 28 9.581 8.645 6.569
231 HA TRP 28 HA TRP 28 7.451 7.973 4.748
232 1HB TRP 28 2HB TRP 28 9.553 6.242 6.068
233 2HB TRP 28 1HB TRP 28 8.439 5.693 4.822
234 HD1 TRP 28 HD TRP 28 11.263 8.325 5.236
235 HE1 TRP 28 1HE TRP 28 12.449 8.571 2.964
236 HE3 TRP 28 3HE TRP 28 8.320 5.217 2.438
237 HZ2 TRP 28 2HZ TRP 28 12.175 7.580 0.335
238 HZ3 TRP 28 3HZ TRP 28 8.850 4.921 0.054
239 HH2 TRP 28 HH TRP 28 10.737 6.078 -0.975
240 H LYS 29 H LYS 29 6.413 5.657 5.279
241 HA LYS 29 HA LYS 29 5.561 5.535 8.074
242 1HB LYS 29 2HB LYS 29 3.678 5.827 5.725
243 2HB LYS 29 1HB LYS 29 3.171 5.307 7.326
244 1HG LYS 29 2HG LYS 29 4.545 7.629 7.842
245 2HG LYS 29 1HG LYS 29 3.726 7.974 6.317
246 1HD LYS 29 2HD LYS 29 1.787 8.225 7.375
247 2HD LYS 29 1HD LYS 29 1.928 6.615 8.083
248 1HE LYS 29 2HE LYS 29 3.624 7.864 9.681
249 2HE LYS 29 1HE LYS 29 2.664 9.266 9.213
250 1HZ LYS 29 1HZ LYS 29 0.831 8.484 10.279
251 2HZ LYS 29 2HZ LYS 29 2.016 7.778 11.260
252 3HZ LYS 29 3HZ LYS 29 1.245 6.856 10.070
253 H GLU 30 H GLU 30 4.931 3.446 8.715
254 HA GLU 30 HA GLU 30 5.342 1.376 6.657
255 1HB GLU 30 2HB GLU 30 5.844 0.680 9.492
256 2HB GLU 30 1HB GLU 30 6.676 0.153 8.036
257 1HG GLU 30 2HG GLU 30 8.321 1.543 8.520
258 2HG GLU 30 1HG GLU 30 7.213 2.894 8.294
259 H ALA 31 H ALA 31 3.807 -0.057 6.349
260 HA ALA 31 HA ALA 31 1.884 -0.661 8.466
261 1HB ALA 31 1HB ALA 31 0.101 -0.605 6.557
262 2HB ALA 31 2HB ALA 31 1.229 0.520 5.800
263 3HB ALA 31 3HB ALA 31 0.549 0.885 7.386
264 H THR 32 H THR 32 2.142 -2.792 8.720
265 HA THR 32 HA THR 32 2.799 -4.436 6.398
266 HB THR 32 HB THR 32 2.713 -5.441 9.229
267 HG1 THR 32 1HG THR 32 5.204 -4.886 8.580
268 1HG2 THR 32 1HG2 THR 32 2.904 -7.102 7.436
269 2HG2 THR 32 2HG2 THR 32 4.392 -7.018 8.380
270 3HG2 THR 32 3HG2 THR 32 4.310 -6.254 6.792
271 H ILE 33 H ILE 33 1.363 -5.608 5.404
272 HA ILE 33 HA ILE 33 -1.052 -6.478 6.842
273 HB ILE 33 HB ILE 33 -1.568 -6.428 4.041
274 1HG1 ILE 33 2HG1 ILE 33 -1.450 -3.646 4.380
275 2HG1 ILE 33 1HG1 ILE 33 0.122 -4.239 4.907
276 1HG2 ILE 33 1HG2 ILE 33 -2.648 -5.135 6.496
277 2HG2 ILE 33 2HG2 ILE 33 -3.413 -6.274 5.388
278 3HG2 ILE 33 3HG2 ILE 33 -3.216 -4.586 4.919
279 1HD1 ILE 33 1HD1 ILE 33 -0.977 -4.004 2.244
280 2HD1 ILE 33 2HD1 ILE 33 -0.350 -5.621 2.567
281 3HD1 ILE 33 3HD1 ILE 33 0.694 -4.214 2.766
282 HA PRO 34 HA PRO 34 0.864 -10.411 5.694
283 1HB PRO 34 2HB PRO 34 -1.525 -11.524 7.023
284 2HB PRO 34 1HB PRO 34 0.184 -11.796 7.372
285 1HG PRO 34 2HG PRO 34 -1.361 -10.335 9.003
286 2HG PRO 34 1HG PRO 34 0.343 -9.932 8.727
287 1HD PRO 34 2HD PRO 34 -2.115 -8.669 7.572
288 2HD PRO 34 1HD PRO 34 -0.618 -7.905 8.147
289 H GLY 35 H GLY 35 0.545 -10.491 3.494
290 1HA GLY 35 2HA GLY 35 -0.395 -11.298 1.552
291 2HA GLY 35 1HA GLY 35 -1.623 -12.080 2.539
292 H HIS 36 H HIS 36 -3.552 -11.006 2.990
293 HA HIS 36 HA HIS 36 -4.116 -8.334 2.398
294 1HB HIS 36 2HB HIS 36 -3.821 -9.740 0.053
295 2HB HIS 36 1HB HIS 36 -5.560 -9.820 0.321
296 HD2 HIS 36 2HD HIS 36 -3.056 -6.776 0.694
297 HE1 HIS 36 1HE HIS 36 -6.388 -5.675 -1.671
298 HE2 HIS 36 2HE HIS 36 -4.307 -4.837 -0.490
299 H LEU 37 H LEU 37 -5.423 -8.260 4.149
300 HA LEU 37 HA LEU 37 -7.399 -10.308 4.640
301 1HB LEU 37 2HB LEU 37 -7.210 -7.656 6.053
302 2HB LEU 37 1HB LEU 37 -7.907 -9.148 6.647
303 HG LEU 37 HG LEU 37 -5.948 -9.078 7.841
304 1HD1 LEU 37 1HD1 LEU 37 -4.383 -10.679 6.943
305 2HD1 LEU 37 2HD1 LEU 37 -5.028 -10.442 5.319
306 3HD1 LEU 37 3HD1 LEU 37 -6.031 -11.182 6.568
307 1HD2 LEU 37 1HD2 LEU 37 -3.777 -8.479 6.305
308 2HD2 LEU 37 2HD2 LEU 37 -4.651 -7.334 7.323
309 3HD2 LEU 37 3HD2 LEU 37 -5.022 -7.445 5.602
310 H ASN 38 H ASN 38 -7.276 -7.072 3.340
311 HA ASN 38 HA ASN 38 -9.694 -7.334 1.928
312 1HB ASN 38 2HB ASN 38 -11.207 -5.971 3.101
313 2HB ASN 38 1HB ASN 38 -10.495 -6.985 4.353
314 1HD2 ASN 38 1HD2 ASN 38 -8.125 -5.790 4.844
315 2HD2 ASN 38 2HD2 ASN 38 -8.369 -4.191 5.451
316 H SER 39 H SER 39 -10.453 -4.722 1.581
317 HA SER 39 HA SER 39 -8.245 -3.705 0.051
318 1HB SER 39 2HB SER 39 -10.841 -2.254 0.551
319 2HB SER 39 1HB SER 39 -9.778 -2.143 -0.852
320 HG SER 39 HG SER 39 -10.902 -4.626 -0.225
321 H TYR 40 H TYR 40 -6.616 -2.775 1.139
322 HA TYR 40 HA TYR 40 -7.253 -0.978 3.369
323 1HB TYR 40 2HB TYR 40 -5.419 -2.972 3.268
324 2HB TYR 40 1HB TYR 40 -4.424 -1.602 2.784
325 HD1 TYR 40 1HD TYR 40 -4.933 -3.496 5.468
326 HD2 TYR 40 2HD TYR 40 -5.378 0.596 4.380
327 HE1 TYR 40 1HE TYR 40 -4.692 -2.844 7.829
328 HE2 TYR 40 2HE TYR 40 -5.139 1.255 6.736
329 HH TYR 40 HH TYR 40 -3.845 -0.193 8.930
330 H THR 41 H THR 41 -7.515 1.066 2.774
331 HA THR 41 HA THR 41 -5.546 2.236 0.923
332 HB THR 41 HB THR 41 -7.579 3.846 0.388
333 HG1 THR 41 1HG THR 41 -8.773 1.428 1.278
334 1HG2 THR 41 1HG2 THR 41 -7.615 1.138 -0.910
335 2HG2 THR 41 2HG2 THR 41 -6.246 2.231 -1.117
336 3HG2 THR 41 3HG2 THR 41 -7.856 2.724 -1.645
337 H ILE 42 H ILE 42 -4.515 3.961 1.701
338 HA ILE 42 HA ILE 42 -5.245 4.999 4.296
339 HB ILE 42 HB ILE 42 -2.922 5.485 2.449
340 1HG1 ILE 42 2HG1 ILE 42 -2.255 4.874 5.165
341 2HG1 ILE 42 1HG1 ILE 42 -3.464 3.725 4.605
342 1HG2 ILE 42 1HG2 ILE 42 -2.109 6.865 4.549
343 2HG2 ILE 42 2HG2 ILE 42 -3.840 7.148 4.736
344 3HG2 ILE 42 3HG2 ILE 42 -3.024 7.623 3.245
345 1HD1 ILE 42 1HD1 ILE 42 -2.031 2.706 3.224
346 2HD1 ILE 42 2HD1 ILE 42 -0.803 3.460 4.241
347 3HD1 ILE 42 3HD1 ILE 42 -1.278 4.219 2.722
348 H LYS 43 H LYS 43 -6.495 6.697 4.635
349 HA LYS 43 HA LYS 43 -6.669 8.786 2.574
350 1HB LYS 43 2HB LYS 43 -8.980 7.572 4.100
351 2HB LYS 43 1HB LYS 43 -9.096 8.995 3.074
352 1HG LYS 43 2HG LYS 43 -8.039 7.319 1.302
353 2HG LYS 43 1HG LYS 43 -8.840 6.140 2.342
354 1HD LYS 43 2HD LYS 43 -10.896 7.684 2.131
355 2HD LYS 43 1HD LYS 43 -10.043 8.378 0.750
356 1HE LYS 43 2HE LYS 43 -10.489 6.612 -0.547
357 2HE LYS 43 1HE LYS 43 -10.074 5.466 0.726
358 1HZ LYS 43 1HZ LYS 43 -12.396 5.285 0.081
359 2HZ LYS 43 2HZ LYS 43 -12.660 6.907 0.484
360 3HZ LYS 43 3HZ LYS 43 -12.262 5.790 1.690
361 H GLY 44 H GLY 44 -6.166 10.717 3.373
362 1HA GLY 44 2HA GLY 44 -7.112 12.197 5.328
363 2HA GLY 44 1HA GLY 44 -6.147 11.079 6.278
364 H LEU 45 H LEU 45 -5.092 12.023 3.108
365 HA LEU 45 HA LEU 45 -2.663 13.106 4.181
366 1HB LEU 45 2HB LEU 45 -3.707 12.949 1.352
367 2HB LEU 45 1HB LEU 45 -2.114 13.536 1.778
368 HG LEU 45 HG LEU 45 -1.705 11.348 1.125
369 1HD1 LEU 45 1HD1 LEU 45 -0.868 11.915 3.451
370 2HD1 LEU 45 2HD1 LEU 45 -0.937 10.204 3.029
371 3HD1 LEU 45 3HD1 LEU 45 -2.184 10.909 4.056
372 1HD2 LEU 45 1HD2 LEU 45 -3.800 10.076 2.786
373 2HD2 LEU 45 2HD2 LEU 45 -3.140 9.594 1.225
374 3HD2 LEU 45 3HD2 LEU 45 -4.312 10.908 1.318
375 H LYS 46 H LYS 46 -2.658 15.083 1.794
376 HA LYS 46 HA LYS 46 -4.409 17.154 2.884
377 1HB LYS 46 2HB LYS 46 -1.749 18.200 2.268
378 2HB LYS 46 1HB LYS 46 -2.792 18.523 3.644
379 1HG LYS 46 2HG LYS 46 -1.892 16.814 4.899
380 2HG LYS 46 1HG LYS 46 -1.336 15.924 3.483
381 1HD LYS 46 2HD LYS 46 0.513 16.910 4.738
382 2HD LYS 46 1HD LYS 46 0.401 17.581 3.110
383 1HE LYS 46 2HE LYS 46 0.839 19.359 4.680
384 2HE LYS 46 1HE LYS 46 -0.796 19.533 4.041
385 1HZ LYS 46 1HZ LYS 46 -0.052 18.399 6.683
386 2HZ LYS 46 2HZ LYS 46 -1.627 18.460 6.070
387 3HZ LYS 46 3HZ LYS 46 -0.794 19.894 6.406
388 HA PRO 47 HA PRO 47 -4.874 18.161 -1.388
389 1HB PRO 47 2HB PRO 47 -5.731 20.707 -1.253
390 2HB PRO 47 1HB PRO 47 -6.722 19.355 -0.691
391 1HG PRO 47 2HG PRO 47 -5.035 21.253 0.895
392 2HG PRO 47 1HG PRO 47 -6.668 20.655 1.239
393 1HD PRO 47 2HD PRO 47 -4.422 19.640 2.406
394 2HD PRO 47 1HD PRO 47 -5.894 18.687 2.128
395 H GLY 48 H GLY 48 -3.612 18.821 -3.030
396 1HA GLY 48 2HA GLY 48 -2.174 20.287 -4.184
397 2HA GLY 48 1HA GLY 48 -1.805 21.087 -2.665
398 H VAL 49 H VAL 49 -1.462 18.162 -1.613
399 HA VAL 49 HA VAL 49 1.291 17.844 -2.625
400 HB VAL 49 HB VAL 49 1.367 18.627 -0.341
401 1HG1 VAL 49 1HG1 VAL 49 0.407 17.014 1.441
402 2HG1 VAL 49 2HG1 VAL 49 -0.628 16.451 0.128
403 3HG1 VAL 49 3HG1 VAL 49 -0.676 18.142 0.626
404 1HG2 VAL 49 1HG2 VAL 49 2.488 16.631 0.745
405 2HG2 VAL 49 2HG2 VAL 49 3.111 17.112 -0.833
406 3HG2 VAL 49 3HG2 VAL 49 2.040 15.717 -0.695
407 H VAL 50 H VAL 50 1.919 15.874 -3.299
408 HA VAL 50 HA VAL 50 -0.062 13.708 -3.143
409 HB VAL 50 HB VAL 50 2.255 14.068 -5.051
410 1HG1 VAL 50 1HG1 VAL 50 0.666 11.740 -4.345
411 2HG1 VAL 50 2HG1 VAL 50 2.147 11.850 -5.296
412 3HG1 VAL 50 3HG1 VAL 50 0.582 12.120 -6.065
413 1HG2 VAL 50 1HG2 VAL 50 -0.478 14.971 -5.079
414 2HG2 VAL 50 2HG2 VAL 50 -0.165 13.879 -6.431
415 3HG2 VAL 50 3HG2 VAL 50 0.830 15.320 -6.211
416 H TYR 51 H TYR 51 0.471 11.715 -2.321
417 HA TYR 51 HA TYR 51 3.049 11.602 -0.913
418 1HB TYR 51 2HB TYR 51 0.384 10.308 -0.374
419 2HB TYR 51 1HB TYR 51 1.861 9.744 0.399
420 HD1 TYR 51 1HD TYR 51 0.011 12.943 -0.188
421 HD2 TYR 51 2HD TYR 51 2.389 10.620 2.468
422 HE1 TYR 51 1HE TYR 51 -0.248 14.669 1.543
423 HE2 TYR 51 2HE TYR 51 2.138 12.343 4.206
424 HH TYR 51 HH TYR 51 0.210 14.251 4.642
425 H GLU 52 H GLU 52 4.559 10.349 -1.724
426 HA GLU 52 HA GLU 52 3.896 8.346 -3.721
427 1HB GLU 52 2HB GLU 52 5.923 8.841 -4.527
428 2HB GLU 52 1HB GLU 52 6.107 10.019 -3.239
429 1HG GLU 52 2HG GLU 52 7.946 8.832 -2.771
430 2HG GLU 52 1HG GLU 52 6.815 7.773 -1.931
431 H GLY 53 H GLY 53 4.050 6.141 -3.458
432 1HA GLY 53 2HA GLY 53 5.062 5.155 -0.885
433 2HA GLY 53 1HA GLY 53 3.404 4.788 -1.320
434 H GLN 54 H GLN 54 5.746 3.082 -0.821
435 HA GLN 54 HA GLN 54 5.586 1.473 -3.267
436 1HB GLN 54 2HB GLN 54 8.072 0.863 -2.197
437 2HB GLN 54 1HB GLN 54 7.775 1.844 -3.628
438 1HG GLN 54 2HG GLN 54 8.021 3.836 -2.469
439 2HG GLN 54 1HG GLN 54 7.772 3.065 -0.902
440 1HE2 GLN 54 1HE2 GLN 54 10.025 3.659 -3.485
441 2HE2 GLN 54 2HE2 GLN 54 11.449 3.187 -2.626
442 H LEU 55 H LEU 55 5.234 -0.679 -2.893
443 HA LEU 55 HA LEU 55 4.905 -1.440 -0.077
444 1HB LEU 55 2HB LEU 55 3.527 -2.091 -2.579
445 2HB LEU 55 1HB LEU 55 3.826 -3.483 -1.556
446 HG LEU 55 HG LEU 55 2.560 -1.030 -0.397
447 1HD1 LEU 55 1HD1 LEU 55 1.211 -1.451 -2.331
448 2HD1 LEU 55 2HD1 LEU 55 0.353 -2.052 -0.914
449 3HD1 LEU 55 3HD1 LEU 55 1.177 -3.181 -1.989
450 1HD2 LEU 55 1HD2 LEU 55 1.643 -3.689 0.375
451 2HD2 LEU 55 2HD2 LEU 55 2.174 -2.335 1.376
452 3HD2 LEU 55 3HD2 LEU 55 3.363 -3.425 0.664
453 H ILE 56 H ILE 56 6.705 -2.352 0.728
454 HA ILE 56 HA ILE 56 8.273 -4.170 -0.947
455 HB ILE 56 HB ILE 56 8.860 -3.095 1.816
456 1HG1 ILE 56 2HG1 ILE 56 10.813 -2.207 0.075
457 2HG1 ILE 56 1HG1 ILE 56 9.349 -2.111 -0.897
458 1HG2 ILE 56 1HG2 ILE 56 11.174 -3.999 1.294
459 2HG2 ILE 56 2HG2 ILE 56 10.413 -4.916 -0.007
460 3HG2 ILE 56 3HG2 ILE 56 9.931 -5.194 1.666
461 1HD1 ILE 56 1HD1 ILE 56 8.404 -0.512 0.439
462 2HD1 ILE 56 2HD1 ILE 56 10.114 -0.090 0.549
463 3HD1 ILE 56 3HD1 ILE 56 9.341 -0.986 1.855
464 H SER 57 H SER 57 7.877 -6.261 -0.877
465 HA SER 57 HA SER 57 6.403 -7.361 1.395
466 1HB SER 57 2HB SER 57 5.956 -7.553 -1.304
467 2HB SER 57 1HB SER 57 6.771 -9.076 -0.949
468 HG SER 57 HG SER 57 4.699 -9.520 -0.519
469 H ILE 58 H ILE 58 7.254 -8.785 2.723
470 HA ILE 58 HA ILE 58 9.869 -9.964 2.051
471 HB ILE 58 HB ILE 58 8.768 -9.480 4.822
472 1HG1 ILE 58 2HG1 ILE 58 10.895 -7.923 3.333
473 2HG1 ILE 58 1HG1 ILE 58 9.241 -7.371 3.577
474 1HG2 ILE 58 1HG2 ILE 58 11.220 -10.738 3.735
475 2HG2 ILE 58 2HG2 ILE 58 10.298 -11.117 5.191
476 3HG2 ILE 58 3HG2 ILE 58 11.397 -9.737 5.176
477 1HD1 ILE 58 1HD1 ILE 58 10.691 -8.138 6.015
478 2HD1 ILE 58 2HD1 ILE 58 9.621 -6.770 5.706
479 3HD1 ILE 58 3HD1 ILE 58 11.301 -6.715 5.171
480 H GLN 59 H GLN 59 10.000 -12.117 1.926
481 HA GLN 59 HA GLN 59 7.744 -13.701 2.966
482 1HB GLN 59 2HB GLN 59 8.875 -15.338 1.107
483 2HB GLN 59 1HB GLN 59 7.506 -14.280 0.799
484 1HG GLN 59 2HG GLN 59 9.050 -12.552 -0.018
485 2HG GLN 59 1HG GLN 59 10.398 -13.656 0.245
486 1HE2 GLN 59 1HE2 GLN 59 9.352 -16.019 -0.662
487 2HE2 GLN 59 2HE2 GLN 59 9.047 -15.907 -2.358
488 H GLN 60 H GLN 60 8.581 -16.178 2.975
489 HA GLN 60 HA GLN 60 10.467 -16.267 5.115
490 1HB GLN 60 2HB GLN 60 10.183 -18.772 4.850
491 2HB GLN 60 1HB GLN 60 8.719 -17.862 5.196
492 1HG GLN 60 2HG GLN 60 7.901 -18.114 3.033
493 2HG GLN 60 1HG GLN 60 9.483 -18.539 2.383
494 1HE2 GLN 60 1HE2 GLN 60 8.421 -20.360 1.428
495 2HE2 GLN 60 2HE2 GLN 60 8.114 -21.777 2.367
496 H TYR 61 H TYR 61 10.852 -16.095 1.803
497 HA TYR 61 HA TYR 61 13.319 -17.660 1.762
498 1HB TYR 61 2HB TYR 61 11.346 -16.968 -0.189
499 2HB TYR 61 1HB TYR 61 12.903 -16.339 -0.719
500 HD1 TYR 61 1HD TYR 61 11.009 -19.380 0.102
501 HD2 TYR 61 2HD TYR 61 14.694 -17.826 -1.346
502 HE1 TYR 61 1HE TYR 61 11.643 -21.625 -0.677
503 HE2 TYR 61 2HE TYR 61 15.337 -20.066 -2.131
504 HH TYR 61 HH TYR 61 13.853 -22.853 -1.151
505 H GLY 62 H GLY 62 12.403 -14.591 2.554
506 1HA GLY 62 2HA GLY 62 13.706 -12.763 3.101
507 2HA GLY 62 1HA GLY 62 15.110 -13.639 2.515
508 H HIS 63 H HIS 63 12.249 -13.065 0.565
509 HA HIS 63 HA HIS 63 13.893 -11.619 -1.351
510 1HB HIS 63 2HB HIS 63 11.259 -13.001 -1.431
511 2HB HIS 63 1HB HIS 63 11.522 -11.686 -2.572
512 HD2 HIS 63 2HD HIS 63 13.659 -14.864 -1.559
513 HE1 HIS 63 1HE HIS 63 13.745 -14.291 -5.751
514 HE2 HIS 63 2HE HIS 63 14.400 -15.833 -3.848
515 H GLN 64 H GLN 64 12.410 -9.849 -2.579
516 HA GLN 64 HA GLN 64 11.001 -8.177 -0.666
517 1HB GLN 64 2HB GLN 64 13.637 -7.453 -1.903
518 2HB GLN 64 1HB GLN 64 12.474 -6.198 -1.497
519 1HG GLN 64 2HG GLN 64 13.080 -6.249 0.627
520 2HG GLN 64 1HG GLN 64 12.780 -7.984 0.719
521 1HE2 GLN 64 1HE2 GLN 64 14.524 -8.527 1.936
522 2HE2 GLN 64 2HE2 GLN 64 16.160 -8.369 1.402
523 H GLU 65 H GLU 65 9.150 -7.987 -1.760
524 HA GLU 65 HA GLU 65 9.208 -7.382 -4.628
525 1HB GLU 65 2HB GLU 65 7.640 -9.120 -3.285
526 2HB GLU 65 1HB GLU 65 6.630 -7.685 -3.180
527 1HG GLU 65 2HG GLU 65 7.742 -8.451 -5.830
528 2HG GLU 65 1HG GLU 65 6.400 -9.384 -5.168
529 H VAL 66 H VAL 66 8.922 -5.347 -5.328
530 HA VAL 66 HA VAL 66 7.647 -3.454 -3.476
531 HB VAL 66 HB VAL 66 9.815 -2.848 -3.155
532 1HG1 VAL 66 1HG1 VAL 66 11.608 -3.061 -4.695
533 2HG1 VAL 66 2HG1 VAL 66 10.498 -3.314 -6.042
534 3HG1 VAL 66 3HG1 VAL 66 10.647 -4.539 -4.781
535 1HG2 VAL 66 1HG2 VAL 66 8.341 -1.093 -4.647
536 2HG2 VAL 66 2HG2 VAL 66 9.846 -1.184 -5.562
537 3HG2 VAL 66 3HG2 VAL 66 9.875 -0.719 -3.861
538 H THR 67 H THR 67 6.221 -2.090 -4.278
539 HA THR 67 HA THR 67 6.067 -1.639 -7.173
540 HB THR 67 HB THR 67 3.688 -2.364 -5.443
541 HG1 THR 67 1HG THR 67 3.995 -3.980 -7.535
542 1HG2 THR 67 1HG2 THR 67 2.344 -1.618 -7.068
543 2HG2 THR 67 2HG2 THR 67 3.313 -2.387 -8.325
544 3HG2 THR 67 3HG2 THR 67 3.755 -0.789 -7.723
545 H ARG 68 H ARG 68 6.008 0.480 -7.560
546 HA ARG 68 HA ARG 68 5.525 2.338 -5.394
547 1HB ARG 68 2HB ARG 68 5.990 3.221 -8.210
548 2HB ARG 68 1HB ARG 68 6.553 3.937 -6.706
549 1HG ARG 68 2HG ARG 68 7.969 1.781 -6.493
550 2HG ARG 68 1HG ARG 68 7.662 1.618 -8.224
551 1HD ARG 68 2HD ARG 68 9.568 2.844 -8.343
552 2HD ARG 68 1HD ARG 68 8.417 4.171 -8.193
553 HE ARG 68 HE ARG 68 9.098 3.533 -5.618
554 1HH1 ARG 68 1HH1 ARG 68 10.840 4.475 -8.485
555 2HH1 ARG 68 2HH1 ARG 68 12.102 5.278 -7.612
556 1HH2 ARG 68 1HH2 ARG 68 10.754 4.590 -4.460
557 2HH2 ARG 68 2HH2 ARG 68 12.053 5.343 -5.324
558 H PHE 69 H PHE 69 3.945 3.937 -5.341
559 HA PHE 69 HA PHE 69 1.907 4.082 -7.374
560 1HB PHE 69 2HB PHE 69 0.112 3.680 -5.520
561 2HB PHE 69 1HB PHE 69 0.841 2.301 -6.334
562 HD1 PHE 69 1HD PHE 69 1.001 4.351 -3.248
563 HD2 PHE 69 2HD PHE 69 1.990 0.664 -5.131
564 HE1 PHE 69 1HE PHE 69 1.690 3.427 -1.070
565 HE2 PHE 69 2HE PHE 69 2.677 -0.265 -2.958
566 HZ PHE 69 HZ PHE 69 2.526 1.116 -0.926
567 H ASP 70 H ASP 70 0.785 5.993 -7.322
568 HA ASP 70 HA ASP 70 1.513 7.861 -5.159
569 1HB ASP 70 2HB ASP 70 0.782 8.533 -8.019
570 2HB ASP 70 1HB ASP 70 1.283 9.676 -6.776
571 H PHE 71 H PHE 71 -0.111 8.508 -3.891
572 HA PHE 71 HA PHE 71 -2.803 8.698 -5.024
573 1HB PHE 71 2HB PHE 71 -3.795 7.480 -3.158
574 2HB PHE 71 1HB PHE 71 -2.642 6.461 -4.013
575 HD1 PHE 71 1HD PHE 71 -0.527 5.840 -2.984
576 HD2 PHE 71 2HD PHE 71 -3.387 8.206 -0.902
577 HE1 PHE 71 1HE PHE 71 0.641 5.383 -0.868
578 HE2 PHE 71 2HE PHE 71 -2.224 7.753 1.218
579 HZ PHE 71 HZ PHE 71 -0.207 6.340 1.237
580 H THR 72 H THR 72 -4.233 10.055 -3.898
581 HA THR 72 HA THR 72 -3.187 11.621 -1.666
582 HB THR 72 HB THR 72 -3.573 13.748 -2.665
583 HG1 THR 72 1HG THR 72 -4.164 13.078 -5.210
584 1HG2 THR 72 1HG2 THR 72 -1.561 12.142 -3.498
585 2HG2 THR 72 2HG2 THR 72 -1.729 13.834 -3.967
586 3HG2 THR 72 3HG2 THR 72 -2.302 12.560 -5.043
587 H THR 73 H THR 73 -4.776 12.428 -0.325
588 HA THR 73 HA THR 73 -7.343 11.207 -0.498
589 HB THR 73 HB THR 73 -6.274 11.695 1.669
590 HG1 THR 73 1HG THR 73 -8.636 11.597 1.385
591 1HG2 THR 73 1HG2 THR 73 -6.387 14.460 0.620
592 2HG2 THR 73 2HG2 THR 73 -5.211 13.700 1.692
593 3HG2 THR 73 3HG2 THR 73 -6.759 14.251 2.331
594 H THR 74 H THR 74 -6.041 14.286 -1.442
595 HA THR 74 HA THR 74 -8.271 14.934 -3.046
596 HB THR 74 HB THR 74 -9.454 15.507 -1.054
597 HG1 THR 74 1HG THR 74 -9.303 17.117 -2.882
598 1HG2 THR 74 1HG2 THR 74 -8.582 16.457 0.808
599 2HG2 THR 74 2HG2 THR 74 -7.544 17.550 -0.107
600 3HG2 THR 74 3HG2 THR 74 -7.060 15.871 0.134
601 H SER 75 H SER 75 -5.878 14.852 -3.968
602 HA SER 75 HA SER 75 -5.020 17.655 -4.191
603 1HB SER 75 2HB SER 75 -3.445 16.382 -2.734
604 2HB SER 75 1HB SER 75 -3.128 15.294 -4.085
605 HG SER 75 HG SER 75 -2.795 17.711 -5.025
606 H THR 76 H THR 76 -3.444 14.927 -5.734
607 HA THR 76 HA THR 76 -4.897 15.100 -8.188
608 HB THR 76 HB THR 76 -3.567 17.212 -8.284
609 HG1 THR 76 1HG THR 76 -3.893 16.675 -10.313
610 1HG2 THR 76 1HG2 THR 76 -1.046 16.299 -9.031
611 2HG2 THR 76 2HG2 THR 76 -1.433 15.389 -7.571
612 3HG2 THR 76 3HG2 THR 76 -1.460 17.152 -7.544
613 H SER 77 H SER 77 -3.281 14.089 -10.010
614 HA SER 77 HA SER 77 -2.338 12.165 -10.756
615 1HB SER 77 2HB SER 77 -0.852 12.604 -8.177
616 2HB SER 77 1HB SER 77 -0.526 11.189 -9.178
617 HG SER 77 HG SER 77 0.820 13.049 -9.625
618 H THR 78 H THR 78 -4.781 11.661 -10.004
619 HA THR 78 HA THR 78 -4.604 9.024 -8.750
620 HB THR 78 HB THR 78 -7.065 10.017 -7.867
621 HG1 THR 78 1HG THR 78 -4.962 11.897 -7.451
622 1HG2 THR 78 1HG2 THR 78 -4.456 9.639 -6.393
623 2HG2 THR 78 2HG2 THR 78 -5.707 8.424 -6.653
624 3HG2 THR 78 3HG2 THR 78 -6.032 9.817 -5.622
625 HA PRO 79 HA PRO 79 -7.013 9.225 -12.798
626 1HB PRO 79 2HB PRO 79 -5.657 6.588 -13.017
627 2HB PRO 79 1HB PRO 79 -5.861 7.854 -14.233
628 1HG PRO 79 2HG PRO 79 -3.501 7.465 -13.067
629 2HG PRO 79 1HG PRO 79 -4.081 9.103 -13.423
630 1HD PRO 79 2HD PRO 79 -4.013 7.641 -10.815
631 2HD PRO 79 1HD PRO 79 -3.684 9.353 -11.158
632 H GLY 80 H GLY 80 -6.352 6.138 -11.119
633 1HA GLY 80 2HA GLY 80 -8.152 5.200 -9.710
634 2HA GLY 80 1HA GLY 80 -9.276 5.742 -10.946
635 H SER 81 H SER 81 -8.316 4.896 -13.261
636 HA SER 81 HA SER 81 -8.593 2.026 -13.062
637 1HB SER 81 2HB SER 81 -8.630 2.118 -15.554
638 2HB SER 81 1HB SER 81 -9.828 3.177 -14.809
639 HG SER 81 HG SER 81 -8.694 4.912 -15.403
640 H ARG 82 H ARG 82 -6.649 1.375 -12.097
641 HA ARG 82 HA ARG 82 -4.122 2.041 -13.315
642 1HB ARG 82 2HB ARG 82 -4.854 0.138 -11.086
643 2HB ARG 82 1HB ARG 82 -3.205 0.435 -11.620
644 1HG ARG 82 2HG ARG 82 -4.925 2.729 -10.796
645 2HG ARG 82 1HG ARG 82 -4.166 1.711 -9.571
646 1HD ARG 82 2HD ARG 82 -2.863 3.416 -11.669
647 2HD ARG 82 1HD ARG 82 -2.646 3.462 -9.921
648 HE ARG 82 HE ARG 82 -1.378 1.649 -11.795
649 1HH1 ARG 82 1HH1 ARG 82 -2.091 2.397 -8.466
650 2HH1 ARG 82 2HH1 ARG 82 -0.808 1.417 -7.838
651 1HH2 ARG 82 1HH2 ARG 82 0.310 0.356 -10.977
652 2HH2 ARG 82 2HH2 ARG 82 0.556 0.256 -9.265
653 H SER 83 H SER 83 -6.196 -0.823 -13.088
654 HA SER 83 HA SER 83 -4.931 -1.877 -15.493
655 1HB SER 83 2HB SER 83 -3.805 -2.813 -13.362
656 2HB SER 83 1HB SER 83 -5.300 -3.721 -13.145
657 HG SER 83 HG SER 83 -3.379 -4.590 -14.479
658 H HIS 84 H HIS 84 -7.311 -2.692 -12.961
659 HA HIS 84 HA HIS 84 -9.245 -3.253 -15.107
660 1HB HIS 84 2HB HIS 84 -8.355 -4.989 -12.888
661 2HB HIS 84 1HB HIS 84 -10.095 -4.930 -13.151
662 HD2 HIS 84 2HD HIS 84 -6.996 -5.459 -15.560
663 HE1 HIS 84 1HE HIS 84 -10.135 -8.111 -16.570
664 HE2 HIS 84 2HE HIS 84 -7.720 -7.482 -17.013
665 H HIS 85 H HIS 85 -9.931 -1.050 -14.700
666 HA HIS 85 HA HIS 85 -11.285 0.535 -13.800
667 1HB HIS 85 2HB HIS 85 -12.615 -2.047 -13.153
668 2HB HIS 85 1HB HIS 85 -13.239 -0.596 -12.375
669 HD2 HIS 85 2HD HIS 85 -15.317 -1.794 -14.331
670 HE1 HIS 85 1HE HIS 85 -13.821 0.888 -17.243
671 HE2 HIS 85 2HE HIS 85 -15.821 -0.488 -16.515
672 H HIS 86 H HIS 86 -12.448 -0.971 -11.022
673 HA HIS 86 HA HIS 86 -10.948 0.825 -9.340
674 1HB HIS 86 2HB HIS 86 -12.980 -1.267 -8.543
675 2HB HIS 86 1HB HIS 86 -12.407 0.071 -7.554
676 HD2 HIS 86 2HD HIS 86 -14.140 2.091 -7.530
677 HE1 HIS 86 1HE HIS 86 -15.853 1.420 -11.342
678 HE2 HIS 86 2HE HIS 86 -15.779 2.971 -9.337
679 H HIS 87 H HIS 87 -10.737 -2.461 -10.299
680 HA HIS 87 HA HIS 87 -9.323 -4.159 -9.764
681 1HB HIS 87 2HB HIS 87 -7.774 -1.942 -9.845
682 2HB HIS 87 1HB HIS 87 -7.493 -2.450 -8.182
683 HD2 HIS 87 2HD HIS 87 -7.160 -4.028 -11.781
684 HE1 HIS 87 1HE HIS 87 -4.366 -5.796 -9.140
685 HE2 HIS 87 2HE HIS 87 -5.084 -5.569 -11.561
686 H HIS 88 H HIS 88 -11.498 -3.657 -8.028
687 HA HIS 88 HA HIS 88 -10.704 -3.781 -5.297
688 1HB HIS 88 2HB HIS 88 -13.011 -3.153 -6.395
689 2HB HIS 88 1HB HIS 88 -13.322 -4.879 -6.253
690 HD2 HIS 88 2HD HIS 88 -13.024 -1.717 -4.042
691 HE1 HIS 88 1HE HIS 88 -14.163 -4.988 -1.609
692 HE2 HIS 88 2HE HIS 88 -14.010 -2.461 -1.761
693 H HIS 89 H HIS 89 -9.967 -5.453 -4.173
694 HA HIS 89 HA HIS 89 -9.284 -7.552 -3.625
695 1HB HIS 89 2HB HIS 89 -12.021 -7.633 -3.942
696 2HB HIS 89 1HB HIS 89 -11.477 -8.974 -4.944
697 HD2 HIS 89 2HD HIS 89 -10.462 -7.834 -1.289
698 HE1 HIS 89 1HE HIS 89 -11.174 -12.003 -1.403
699 HE2 HIS 89 2HE HIS 89 -10.352 -10.071 0.017
Start of MODEL 13
1 1H MET 1 1HT MET 1 -22.410 -1.758 -0.984
2 2H MET 1 2HT MET 1 -21.460 -0.408 -0.614
3 3H MET 1 3HT MET 1 -22.414 -1.125 0.585
4 HA MET 1 HA MET 1 -20.006 -1.658 0.737
5 1HB MET 1 2HB MET 1 -22.288 -3.532 0.638
6 2HB MET 1 1HB MET 1 -20.700 -4.284 0.628
7 1HG MET 1 2HG MET 1 -20.736 -2.252 2.620
8 2HG MET 1 1HG MET 1 -22.155 -3.280 2.823
9 1HE MET 1 1HE MET 1 -21.473 -5.074 5.066
10 2HE MET 1 2HE MET 1 -21.051 -3.361 5.076
11 3HE MET 1 3HE MET 1 -19.854 -4.566 5.551
12 H ARG 2 H ARG 2 -18.330 -3.108 -0.039
13 HA ARG 2 HA ARG 2 -18.344 -3.273 -2.967
14 1HB ARG 2 2HB ARG 2 -16.499 -2.130 -1.426
15 2HB ARG 2 1HB ARG 2 -15.875 -3.773 -1.377
16 1HG ARG 2 2HG ARG 2 -14.993 -3.565 -3.396
17 2HG ARG 2 1HG ARG 2 -16.533 -3.033 -4.075
18 1HD ARG 2 2HD ARG 2 -14.769 -1.183 -2.502
19 2HD ARG 2 1HD ARG 2 -14.541 -1.431 -4.232
20 HE ARG 2 HE ARG 2 -16.617 -0.394 -4.631
21 1HH1 ARG 2 1HH1 ARG 2 -15.762 -0.448 -1.252
22 2HH1 ARG 2 2HH1 ARG 2 -16.905 0.776 -0.811
23 1HH2 ARG 2 1HH2 ARG 2 -18.122 1.220 -4.060
24 2HH2 ARG 2 2HH2 ARG 2 -18.246 1.724 -2.407
25 H GLY 3 H GLY 3 -17.017 -5.144 -3.871
26 1HA GLY 3 2HA GLY 3 -17.382 -7.596 -2.287
27 2HA GLY 3 1HA GLY 3 -18.088 -7.498 -3.893
28 H SER 4 H SER 4 -16.746 -9.420 -4.268
29 HA SER 4 HA SER 4 -14.049 -8.626 -5.127
30 1HB SER 4 2HB SER 4 -13.437 -11.093 -4.544
31 2HB SER 4 1HB SER 4 -13.504 -9.899 -3.249
32 HG SER 4 HG SER 4 -15.834 -10.681 -3.137
33 H ASN 5 H ASN 5 -13.357 -9.451 -7.061
34 HA ASN 5 HA ASN 5 -15.414 -10.666 -8.726
35 1HB ASN 5 2HB ASN 5 -12.919 -9.133 -9.209
36 2HB ASN 5 1HB ASN 5 -13.359 -10.324 -10.429
37 1HD2 ASN 5 1HD2 ASN 5 -14.316 -7.394 -8.804
38 2HD2 ASN 5 2HD2 ASN 5 -15.503 -6.906 -9.960
39 H ALA 6 H ALA 6 -12.141 -11.334 -7.568
40 HA ALA 6 HA ALA 6 -12.591 -14.172 -7.886
41 1HB ALA 6 1HB ALA 6 -10.335 -14.358 -9.133
42 2HB ALA 6 2HB ALA 6 -10.628 -12.678 -9.579
43 3HB ALA 6 3HB ALA 6 -11.782 -13.928 -10.045
44 HA PRO 7 HA PRO 7 -10.229 -13.609 -4.085
45 1HB PRO 7 2HB PRO 7 -10.420 -16.208 -3.279
46 2HB PRO 7 1HB PRO 7 -11.709 -15.022 -3.047
47 1HG PRO 7 2HG PRO 7 -11.410 -17.100 -5.186
48 2HG PRO 7 1HG PRO 7 -12.854 -16.650 -4.257
49 1HD PRO 7 2HD PRO 7 -12.455 -15.768 -6.765
50 2HD PRO 7 1HD PRO 7 -13.237 -14.756 -5.532
51 H GLN 8 H GLN 8 -8.107 -13.878 -3.613
52 HA GLN 8 HA GLN 8 -6.486 -15.334 -5.542
53 1HB GLN 8 2HB GLN 8 -5.692 -13.489 -3.282
54 2HB GLN 8 1HB GLN 8 -4.576 -14.208 -4.435
55 1HG GLN 8 2HG GLN 8 -5.990 -13.065 -6.232
56 2HG GLN 8 1HG GLN 8 -6.673 -12.124 -4.909
57 1HE2 GLN 8 1HE2 GLN 8 -3.961 -12.634 -6.948
58 2HE2 GLN 8 2HE2 GLN 8 -3.000 -11.320 -6.372
59 HA PRO 9 HA PRO 9 -6.084 -18.727 -2.685
60 1HB PRO 9 2HB PRO 9 -4.444 -20.267 -4.161
61 2HB PRO 9 1HB PRO 9 -6.147 -20.045 -4.576
62 1HG PRO 9 2HG PRO 9 -3.724 -18.746 -5.748
63 2HG PRO 9 1HG PRO 9 -5.177 -19.350 -6.563
64 1HD PRO 9 2HD PRO 9 -4.730 -16.706 -5.970
65 2HD PRO 9 1HD PRO 9 -6.341 -17.421 -6.174
66 H SER 10 H SER 10 -3.059 -17.785 -4.347
67 HA SER 10 HA SER 10 -1.574 -18.331 -1.893
68 1HB SER 10 2HB SER 10 -0.967 -18.369 -4.738
69 2HB SER 10 1HB SER 10 0.245 -17.477 -3.820
70 HG SER 10 HG SER 10 0.949 -19.488 -3.600
71 H HIS 11 H HIS 11 -0.441 -16.815 -0.752
72 HA HIS 11 HA HIS 11 -0.507 -14.041 -1.687
73 1HB HIS 11 2HB HIS 11 -0.973 -13.605 0.928
74 2HB HIS 11 1HB HIS 11 -2.254 -13.711 -0.273
75 HD2 HIS 11 2HD HIS 11 -4.237 -15.130 0.800
76 HE1 HIS 11 1HE HIS 11 -1.861 -18.026 2.770
77 HE2 HIS 11 2HE HIS 11 -4.219 -17.174 2.398
78 H ILE 12 H ILE 12 0.662 -12.711 0.272
79 HA ILE 12 HA ILE 12 3.293 -13.999 0.508
80 HB ILE 12 HB ILE 12 3.448 -11.926 -0.653
81 1HG1 ILE 12 2HG1 ILE 12 4.278 -10.708 1.863
82 2HG1 ILE 12 1HG1 ILE 12 4.799 -12.387 1.738
83 1HG2 ILE 12 1HG2 ILE 12 1.457 -11.062 1.324
84 2HG2 ILE 12 2HG2 ILE 12 1.667 -10.588 -0.360
85 3HG2 ILE 12 3HG2 ILE 12 2.664 -9.850 0.894
86 1HD1 ILE 12 1HD1 ILE 12 5.721 -10.018 0.303
87 2HD1 ILE 12 2HD1 ILE 12 5.460 -11.434 -0.716
88 3HD1 ILE 12 3HD1 ILE 12 6.554 -11.529 0.664
89 H SER 13 H SER 13 4.457 -13.931 2.469
90 HA SER 13 HA SER 13 3.062 -14.470 4.801
91 1HB SER 13 2HB SER 13 5.824 -14.118 4.041
92 2HB SER 13 1HB SER 13 5.530 -13.361 5.608
93 HG SER 13 HG SER 13 5.434 -15.278 6.442
94 H LYS 14 H LYS 14 4.568 -11.430 3.753
95 HA LYS 14 HA LYS 14 2.586 -9.909 5.170
96 1HB LYS 14 2HB LYS 14 4.423 -8.596 6.412
97 2HB LYS 14 1HB LYS 14 3.910 -10.141 7.076
98 1HG LYS 14 2HG LYS 14 5.870 -11.208 6.453
99 2HG LYS 14 1HG LYS 14 6.266 -9.986 5.241
100 1HD LYS 14 2HD LYS 14 6.134 -9.286 8.154
101 2HD LYS 14 1HD LYS 14 7.587 -10.007 7.460
102 1HE LYS 14 2HE LYS 14 7.296 -8.115 5.669
103 2HE LYS 14 1HE LYS 14 6.354 -7.340 6.942
104 1HZ LYS 14 1HZ LYS 14 8.430 -7.910 8.372
105 2HZ LYS 14 2HZ LYS 14 8.445 -6.550 7.368
106 3HZ LYS 14 3HZ LYS 14 9.221 -7.969 6.878
107 H TYR 15 H TYR 15 2.407 -7.836 4.445
108 HA TYR 15 HA TYR 15 4.238 -7.007 2.289
109 1HB TYR 15 2HB TYR 15 1.461 -7.500 2.177
110 2HB TYR 15 1HB TYR 15 1.639 -5.751 2.140
111 HD1 TYR 15 1HD TYR 15 0.895 -8.134 0.027
112 HD2 TYR 15 2HD TYR 15 4.102 -5.394 0.582
113 HE1 TYR 15 1HE TYR 15 1.396 -8.245 -2.376
114 HE2 TYR 15 2HE TYR 15 4.611 -5.498 -1.821
115 HH TYR 15 HH TYR 15 4.025 -6.323 -3.796
116 H ILE 16 H ILE 16 5.152 -5.005 2.517
117 HA ILE 16 HA ILE 16 4.125 -3.333 4.717
118 HB ILE 16 HB ILE 16 6.943 -3.681 3.715
119 1HG1 ILE 16 2HG1 ILE 16 6.097 -5.224 5.469
120 2HG1 ILE 16 1HG1 ILE 16 7.425 -4.218 6.035
121 1HG2 ILE 16 1HG2 ILE 16 5.752 -1.244 4.586
122 2HG2 ILE 16 2HG2 ILE 16 7.442 -1.565 4.192
123 3HG2 ILE 16 3HG2 ILE 16 6.864 -1.796 5.841
124 1HD1 ILE 16 1HD1 ILE 16 5.267 -2.724 6.749
125 2HD1 ILE 16 2HD1 ILE 16 6.109 -3.862 7.802
126 3HD1 ILE 16 3HD1 ILE 16 4.653 -4.366 6.944
127 H LEU 17 H LEU 17 3.537 -1.319 4.320
128 HA LEU 17 HA LEU 17 3.941 -0.287 1.596
129 1HB LEU 17 2HB LEU 17 1.586 -0.707 2.796
130 2HB LEU 17 1HB LEU 17 1.922 0.898 3.417
131 HG LEU 17 HG LEU 17 2.425 1.101 0.681
132 1HD1 LEU 17 1HD1 LEU 17 0.912 -1.163 0.943
133 2HD1 LEU 17 2HD1 LEU 17 0.983 -0.140 -0.492
134 3HD1 LEU 17 3HD1 LEU 17 -0.313 0.079 0.684
135 1HD2 LEU 17 1HD2 LEU 17 0.104 1.903 2.419
136 2HD2 LEU 17 2HD2 LEU 17 0.251 2.395 0.731
137 3HD2 LEU 17 3HD2 LEU 17 1.475 2.885 1.902
138 H ARG 18 H ARG 18 5.497 1.199 1.504
139 HA ARG 18 HA ARG 18 5.828 2.993 3.813
140 1HB ARG 18 2HB ARG 18 7.802 1.669 2.018
141 2HB ARG 18 1HB ARG 18 8.191 3.271 2.631
142 1HG ARG 18 2HG ARG 18 8.556 2.528 4.718
143 2HG ARG 18 1HG ARG 18 7.230 1.365 4.648
144 1HD ARG 18 2HD ARG 18 8.563 -0.199 3.442
145 2HD ARG 18 1HD ARG 18 9.841 0.992 3.198
146 HE ARG 18 HE ARG 18 9.700 0.820 5.883
147 1HH1 ARG 18 1HH1 ARG 18 9.949 -1.587 3.378
148 2HH1 ARG 18 2HH1 ARG 18 10.842 -2.701 4.357
149 1HH2 ARG 18 1HH2 ARG 18 10.875 -0.641 7.182
150 2HH2 ARG 18 2HH2 ARG 18 11.368 -2.164 6.519
151 H TRP 19 H TRP 19 5.517 5.111 3.476
152 HA TRP 19 HA TRP 19 5.962 6.234 0.852
153 1HB TRP 19 2HB TRP 19 3.763 7.058 0.472
154 2HB TRP 19 1HB TRP 19 3.614 5.339 0.816
155 HD1 TRP 19 HD TRP 19 2.425 8.698 1.967
156 HE1 TRP 19 1HE TRP 19 0.852 8.418 3.985
157 HE3 TRP 19 3HE TRP 19 3.302 3.770 3.006
158 HZ2 TRP 19 2HZ TRP 19 0.084 6.380 5.779
159 HZ3 TRP 19 3HZ TRP 19 2.108 2.731 4.889
160 HH2 TRP 19 HH TRP 19 0.533 4.011 6.247
161 H ARG 20 H ARG 20 5.752 8.522 0.768
162 HA ARG 20 HA ARG 20 5.535 10.087 3.158
163 1HB ARG 20 2HB ARG 20 7.818 10.998 3.066
164 2HB ARG 20 1HB ARG 20 7.834 9.273 3.402
165 1HG ARG 20 2HG ARG 20 9.348 9.124 1.781
166 2HG ARG 20 1HG ARG 20 8.008 9.367 0.660
167 1HD ARG 20 2HD ARG 20 8.564 11.536 0.247
168 2HD ARG 20 1HD ARG 20 9.243 11.782 1.855
169 HE ARG 20 HE ARG 20 11.070 10.182 0.857
170 1HH1 ARG 20 1HH1 ARG 20 9.426 12.829 -0.706
171 2HH1 ARG 20 2HH1 ARG 20 10.752 13.200 -1.755
172 1HH2 ARG 20 1HH2 ARG 20 12.821 10.667 -0.524
173 2HH2 ARG 20 2HH2 ARG 20 12.679 11.973 -1.654
174 HA PRO 21 HA PRO 21 4.283 13.184 0.281
175 1HB PRO 21 2HB PRO 21 6.183 15.087 1.563
176 2HB PRO 21 1HB PRO 21 4.443 15.245 1.288
177 1HG PRO 21 2HG PRO 21 5.328 14.725 3.723
178 2HG PRO 21 1HG PRO 21 3.905 13.869 3.092
179 1HD PRO 21 2HD PRO 21 6.736 12.905 3.318
180 2HD PRO 21 1HD PRO 21 5.225 12.058 3.716
181 H LYS 22 H LYS 22 4.900 13.043 -1.764
182 HA LYS 22 HA LYS 22 7.522 12.712 -2.681
183 1HB LYS 22 2HB LYS 22 5.403 12.128 -3.909
184 2HB LYS 22 1HB LYS 22 5.215 13.838 -4.271
185 1HG LYS 22 2HG LYS 22 7.500 13.726 -5.349
186 2HG LYS 22 1HG LYS 22 7.371 11.971 -5.209
187 1HD LYS 22 2HD LYS 22 4.943 12.864 -6.315
188 2HD LYS 22 1HD LYS 22 6.226 13.724 -7.170
189 1HE LYS 22 2HE LYS 22 6.401 10.768 -6.715
190 2HE LYS 22 1HE LYS 22 5.447 11.416 -8.048
191 1HZ LYS 22 1HZ LYS 22 8.270 11.134 -7.826
192 2HZ LYS 22 2HZ LYS 22 7.850 12.733 -8.182
193 3HZ LYS 22 3HZ LYS 22 7.330 11.479 -9.191
194 H ASN 23 H ASN 23 5.531 15.601 -2.330
195 HA ASN 23 HA ASN 23 7.359 17.355 -3.631
196 1HB ASN 23 2HB ASN 23 4.997 17.791 -1.815
197 2HB ASN 23 1HB ASN 23 5.978 19.135 -2.391
198 1HD2 ASN 23 1HD2 ASN 23 4.289 20.023 -3.552
199 2HD2 ASN 23 2HD2 ASN 23 3.699 19.319 -5.015
200 H SER 24 H SER 24 7.054 16.117 -0.404
201 HA SER 24 HA SER 24 9.005 18.042 0.623
202 1HB SER 24 2HB SER 24 6.771 16.970 1.786
203 2HB SER 24 1HB SER 24 8.040 15.937 2.442
204 HG SER 24 HG SER 24 7.469 18.032 3.552
205 H VAL 25 H VAL 25 10.209 16.473 2.585
206 HA VAL 25 HA VAL 25 11.447 14.213 1.229
207 HB VAL 25 HB VAL 25 13.743 15.180 1.972
208 1HG1 VAL 25 1HG1 VAL 25 12.163 15.546 -0.458
209 2HG1 VAL 25 2HG1 VAL 25 13.810 14.953 -0.254
210 3HG1 VAL 25 3HG1 VAL 25 13.497 16.687 -0.294
211 1HG2 VAL 25 1HG2 VAL 25 12.123 17.709 1.684
212 2HG2 VAL 25 2HG2 VAL 25 13.882 17.628 1.783
213 3HG2 VAL 25 3HG2 VAL 25 12.898 17.123 3.155
214 H GLY 26 H GLY 26 11.336 12.625 2.664
215 1HA GLY 26 2HA GLY 26 12.233 11.609 4.645
216 2HA GLY 26 1HA GLY 26 12.176 13.179 5.429
217 H ARG 27 H ARG 27 11.196 11.404 6.974
218 HA ARG 27 HA ARG 27 9.396 10.730 8.178
219 1HB ARG 27 2HB ARG 27 8.117 12.980 6.630
220 2HB ARG 27 1HB ARG 27 7.283 12.091 7.899
221 1HG ARG 27 2HG ARG 27 9.496 12.764 9.235
222 2HG ARG 27 1HG ARG 27 9.435 14.102 8.087
223 1HD ARG 27 2HD ARG 27 7.136 14.584 8.776
224 2HD ARG 27 1HD ARG 27 7.200 13.247 9.924
225 HE ARG 27 HE ARG 27 8.751 14.495 11.228
226 1HH1 ARG 27 1HH1 ARG 27 7.399 16.255 8.541
227 2HH1 ARG 27 2HH1 ARG 27 7.813 17.809 9.184
228 1HH2 ARG 27 1HH2 ARG 27 9.297 16.538 12.084
229 2HH2 ARG 27 2HH2 ARG 27 8.893 17.970 11.198
230 H TRP 28 H TRP 28 9.310 8.671 7.277
231 HA TRP 28 HA TRP 28 7.432 8.259 5.062
232 1HB TRP 28 2HB TRP 28 9.410 6.342 6.316
233 2HB TRP 28 1HB TRP 28 8.383 5.988 4.931
234 HD1 TRP 28 HD TRP 28 11.194 8.502 5.865
235 HE1 TRP 28 1HE TRP 28 12.569 8.972 3.741
236 HE3 TRP 28 3HE TRP 28 8.486 5.742 2.520
237 HZ2 TRP 28 2HZ TRP 28 12.511 8.267 1.008
238 HZ3 TRP 28 3HZ TRP 28 9.212 5.693 0.169
239 HH2 TRP 28 HH TRP 28 11.184 6.930 -0.569
240 H LYS 29 H LYS 29 6.431 5.836 5.394
241 HA LYS 29 HA LYS 29 5.454 5.476 8.104
242 1HB LYS 29 2HB LYS 29 3.976 7.168 6.711
243 2HB LYS 29 1HB LYS 29 3.349 5.691 5.991
244 1HG LYS 29 2HG LYS 29 2.099 5.247 7.774
245 2HG LYS 29 1HG LYS 29 3.445 5.527 8.880
246 1HD LYS 29 2HD LYS 29 3.038 8.007 8.513
247 2HD LYS 29 1HD LYS 29 1.522 7.540 7.739
248 1HE LYS 29 2HE LYS 29 0.537 7.047 9.696
249 2HE LYS 29 1HE LYS 29 1.986 6.273 10.338
250 1HZ LYS 29 1HZ LYS 29 0.987 8.867 10.848
251 2HZ LYS 29 2HZ LYS 29 2.541 8.980 10.190
252 3HZ LYS 29 3HZ LYS 29 2.279 8.061 11.585
253 H GLU 30 H GLU 30 4.605 3.391 8.457
254 HA GLU 30 HA GLU 30 4.950 1.558 6.176
255 1HB GLU 30 2HB GLU 30 5.253 0.436 8.887
256 2HB GLU 30 1HB GLU 30 6.162 0.103 7.421
257 1HG GLU 30 2HG GLU 30 7.795 1.478 8.018
258 2HG GLU 30 1HG GLU 30 6.665 2.776 8.399
259 H ALA 31 H ALA 31 3.444 0.039 5.794
260 HA ALA 31 HA ALA 31 1.252 -0.319 7.705
261 1HB ALA 31 1HB ALA 31 0.615 -0.043 4.793
262 2HB ALA 31 2HB ALA 31 0.752 1.390 5.813
263 3HB ALA 31 3HB ALA 31 -0.441 0.148 6.192
264 H THR 32 H THR 32 1.318 -2.419 8.165
265 HA THR 32 HA THR 32 2.279 -4.324 6.199
266 HB THR 32 HB THR 32 1.296 -5.133 8.907
267 HG1 THR 32 1HG THR 32 2.921 -4.159 9.870
268 1HG2 THR 32 1HG2 THR 32 2.998 -6.831 8.703
269 2HG2 THR 32 2HG2 THR 32 3.632 -6.076 7.241
270 3HG2 THR 32 3HG2 THR 32 2.033 -6.819 7.226
271 H ILE 33 H ILE 33 1.121 -5.872 5.213
272 HA ILE 33 HA ILE 33 -1.697 -6.226 5.918
273 HB ILE 33 HB ILE 33 -1.355 -6.356 3.048
274 1HG1 ILE 33 2HG1 ILE 33 -0.963 -3.622 4.280
275 2HG1 ILE 33 1HG1 ILE 33 0.341 -4.571 3.576
276 1HG2 ILE 33 1HG2 ILE 33 -3.467 -5.559 3.060
277 2HG2 ILE 33 2HG2 ILE 33 -3.117 -4.342 4.287
278 3HG2 ILE 33 3HG2 ILE 33 -3.392 -6.018 4.761
279 1HD1 ILE 33 1HD1 ILE 33 -2.092 -3.559 2.124
280 2HD1 ILE 33 2HD1 ILE 33 -0.792 -4.516 1.414
281 3HD1 ILE 33 3HD1 ILE 33 -0.462 -2.894 2.023
282 HA PRO 34 HA PRO 34 0.029 -10.381 5.525
283 1HB PRO 34 2HB PRO 34 -2.059 -11.666 6.677
284 2HB PRO 34 1HB PRO 34 -0.832 -10.806 7.613
285 1HG PRO 34 2HG PRO 34 -3.567 -9.899 6.796
286 2HG PRO 34 1HG PRO 34 -2.758 -9.735 8.366
287 1HD PRO 34 2HD PRO 34 -2.891 -7.705 6.583
288 2HD PRO 34 1HD PRO 34 -1.509 -7.923 7.676
289 H GLY 35 H GLY 35 -0.162 -10.308 3.200
290 1HA GLY 35 2HA GLY 35 -0.989 -10.999 1.172
291 2HA GLY 35 1HA GLY 35 -1.737 -12.295 2.095
292 H HIS 36 H HIS 36 -2.414 -8.838 2.320
293 HA HIS 36 HA HIS 36 -4.319 -7.637 2.052
294 1HB HIS 36 2HB HIS 36 -4.133 -9.364 -0.274
295 2HB HIS 36 1HB HIS 36 -5.807 -8.977 0.110
296 HD2 HIS 36 2HD HIS 36 -6.597 -6.769 -1.150
297 HE1 HIS 36 1HE HIS 36 -2.842 -4.822 -1.303
298 HE2 HIS 36 2HE HIS 36 -5.322 -4.598 -1.780
299 H LEU 37 H LEU 37 -5.081 -8.194 4.119
300 HA LEU 37 HA LEU 37 -6.709 -10.474 4.607
301 1HB LEU 37 2HB LEU 37 -7.455 -8.671 6.541
302 2HB LEU 37 1HB LEU 37 -6.148 -9.827 6.671
303 HG LEU 37 HG LEU 37 -4.537 -8.114 5.983
304 1HD1 LEU 37 1HD1 LEU 37 -6.675 -6.828 4.851
305 2HD1 LEU 37 2HD1 LEU 37 -5.074 -6.134 5.100
306 3HD1 LEU 37 3HD1 LEU 37 -6.351 -5.852 6.283
307 1HD2 LEU 37 1HD2 LEU 37 -4.376 -7.738 8.157
308 2HD2 LEU 37 2HD2 LEU 37 -6.086 -8.107 8.384
309 3HD2 LEU 37 3HD2 LEU 37 -5.582 -6.461 7.996
310 H ASN 38 H ASN 38 -7.313 -7.201 3.582
311 HA ASN 38 HA ASN 38 -9.738 -7.706 2.337
312 1HB ASN 38 2HB ASN 38 -11.421 -6.927 3.805
313 2HB ASN 38 1HB ASN 38 -10.444 -8.010 4.789
314 1HD2 ASN 38 1HD2 ASN 38 -8.279 -6.325 5.292
315 2HD2 ASN 38 2HD2 ASN 38 -8.809 -5.034 6.309
316 H SER 39 H SER 39 -10.989 -5.126 2.970
317 HA SER 39 HA SER 39 -9.303 -3.483 1.317
318 1HB SER 39 2HB SER 39 -11.733 -3.383 1.043
319 2HB SER 39 1HB SER 39 -11.918 -2.855 2.716
320 HG SER 39 HG SER 39 -11.736 -0.926 1.915
321 H TYR 40 H TYR 40 -7.519 -2.686 2.243
322 HA TYR 40 HA TYR 40 -7.646 -1.679 4.985
323 1HB TYR 40 2HB TYR 40 -5.809 -3.256 4.128
324 2HB TYR 40 1HB TYR 40 -5.170 -1.856 3.279
325 HD1 TYR 40 1HD TYR 40 -5.660 -3.434 6.533
326 HD2 TYR 40 2HD TYR 40 -4.195 0.013 4.517
327 HE1 TYR 40 1HE TYR 40 -4.462 -2.760 8.570
328 HE2 TYR 40 2HE TYR 40 -2.992 0.697 6.551
329 HH TYR 40 HH TYR 40 -2.273 -0.007 8.589
330 H THR 41 H THR 41 -7.728 0.420 5.444
331 HA THR 41 HA THR 41 -7.490 2.327 3.235
332 HB THR 41 HB THR 41 -9.575 2.434 4.494
333 HG1 THR 41 1HG THR 41 -8.201 4.731 5.350
334 1HG2 THR 41 1HG2 THR 41 -9.495 3.266 6.866
335 2HG2 THR 41 2HG2 THR 41 -7.766 2.919 6.858
336 3HG2 THR 41 3HG2 THR 41 -8.930 1.611 6.643
337 H ILE 42 H ILE 42 -6.236 4.174 3.353
338 HA ILE 42 HA ILE 42 -4.072 4.083 5.346
339 HB ILE 42 HB ILE 42 -4.135 5.163 2.531
340 1HG1 ILE 42 2HG1 ILE 42 -3.680 2.755 2.806
341 2HG1 ILE 42 1HG1 ILE 42 -2.282 3.617 2.173
342 1HG2 ILE 42 1HG2 ILE 42 -2.697 6.749 3.120
343 2HG2 ILE 42 2HG2 ILE 42 -1.543 5.473 3.502
344 3HG2 ILE 42 3HG2 ILE 42 -2.588 6.122 4.765
345 1HD1 ILE 42 1HD1 ILE 42 -2.527 2.016 4.543
346 2HD1 ILE 42 2HD1 ILE 42 -1.965 3.640 4.942
347 3HD1 ILE 42 3HD1 ILE 42 -1.081 2.665 3.767
348 H LYS 43 H LYS 43 -3.652 5.843 6.598
349 HA LYS 43 HA LYS 43 -5.551 7.617 7.355
350 1HB LYS 43 2HB LYS 43 -2.797 7.283 7.842
351 2HB LYS 43 1HB LYS 43 -3.017 8.980 7.444
352 1HG LYS 43 2HG LYS 43 -3.173 8.616 9.839
353 2HG LYS 43 1HG LYS 43 -4.711 9.181 9.186
354 1HD LYS 43 2HD LYS 43 -4.971 7.354 10.835
355 2HD LYS 43 1HD LYS 43 -5.611 6.943 9.244
356 1HE LYS 43 2HE LYS 43 -4.312 5.112 10.328
357 2HE LYS 43 1HE LYS 43 -3.696 5.595 8.749
358 1HZ LYS 43 1HZ LYS 43 -1.771 6.251 9.627
359 2HZ LYS 43 2HZ LYS 43 -2.220 5.373 11.002
360 3HZ LYS 43 3HZ LYS 43 -2.507 7.038 10.932
361 H GLY 44 H GLY 44 -6.340 9.571 6.757
362 1HA GLY 44 2HA GLY 44 -6.393 10.325 4.104
363 2HA GLY 44 1HA GLY 44 -6.792 11.393 5.439
364 H LEU 45 H LEU 45 -5.133 11.410 2.763
365 HA LEU 45 HA LEU 45 -2.593 12.431 3.709
366 1HB LEU 45 2HB LEU 45 -3.763 12.227 0.932
367 2HB LEU 45 1HB LEU 45 -2.143 12.791 1.284
368 HG LEU 45 HG LEU 45 -1.877 10.565 0.590
369 1HD1 LEU 45 1HD1 LEU 45 -1.979 10.010 3.507
370 2HD1 LEU 45 2HD1 LEU 45 -0.914 11.292 2.930
371 3HD1 LEU 45 3HD1 LEU 45 -0.721 9.646 2.326
372 1HD2 LEU 45 1HD2 LEU 45 -4.003 9.644 0.549
373 2HD2 LEU 45 2HD2 LEU 45 -4.308 10.018 2.245
374 3HD2 LEU 45 3HD2 LEU 45 -3.196 8.720 1.815
375 H LYS 46 H LYS 46 -2.831 14.335 1.231
376 HA LYS 46 HA LYS 46 -4.455 16.424 2.490
377 1HB LYS 46 2HB LYS 46 -2.369 17.083 3.295
378 2HB LYS 46 1HB LYS 46 -1.533 16.558 1.842
379 1HG LYS 46 2HG LYS 46 -2.451 18.435 0.605
380 2HG LYS 46 1HG LYS 46 -3.359 18.946 2.032
381 1HD LYS 46 2HD LYS 46 -1.561 19.911 2.972
382 2HD LYS 46 1HD LYS 46 -0.494 18.583 2.512
383 1HE LYS 46 2HE LYS 46 -0.625 19.526 0.144
384 2HE LYS 46 1HE LYS 46 -1.326 20.965 0.881
385 1HZ LYS 46 1HZ LYS 46 0.921 21.441 0.788
386 2HZ LYS 46 2HZ LYS 46 1.393 19.870 1.197
387 3HZ LYS 46 3HZ LYS 46 0.737 20.889 2.377
388 HA PRO 47 HA PRO 47 -5.889 16.529 -1.762
389 1HB PRO 47 2HB PRO 47 -7.264 18.972 -0.798
390 2HB PRO 47 1HB PRO 47 -7.934 17.536 -1.578
391 1HG PRO 47 2HG PRO 47 -8.299 17.978 1.028
392 2HG PRO 47 1HG PRO 47 -8.026 16.340 0.404
393 1HD PRO 47 2HD PRO 47 -6.119 18.183 1.794
394 2HD PRO 47 1HD PRO 47 -6.324 16.428 1.975
395 H GLY 48 H GLY 48 -4.381 17.201 -3.171
396 1HA GLY 48 2HA GLY 48 -3.900 19.212 -4.564
397 2HA GLY 48 1HA GLY 48 -3.558 20.038 -3.051
398 H VAL 49 H VAL 49 -2.267 17.522 -2.018
399 HA VAL 49 HA VAL 49 0.260 17.764 -3.517
400 HB VAL 49 HB VAL 49 0.233 18.762 -1.181
401 1HG1 VAL 49 1HG1 VAL 49 -0.244 17.551 0.627
402 2HG1 VAL 49 2HG1 VAL 49 0.726 16.186 0.077
403 3HG1 VAL 49 3HG1 VAL 49 -0.935 16.371 -0.487
404 1HG2 VAL 49 1HG2 VAL 49 2.449 18.457 -1.124
405 2HG2 VAL 49 2HG2 VAL 49 2.207 17.510 -2.593
406 3HG2 VAL 49 3HG2 VAL 49 2.301 16.701 -1.028
407 H VAL 50 H VAL 50 1.314 15.936 -4.098
408 HA VAL 50 HA VAL 50 -0.122 13.425 -3.666
409 HB VAL 50 HB VAL 50 2.141 14.010 -5.578
410 1HG1 VAL 50 1HG1 VAL 50 0.879 11.893 -6.623
411 2HG1 VAL 50 2HG1 VAL 50 0.577 11.592 -4.912
412 3HG1 VAL 50 3HG1 VAL 50 2.232 11.748 -5.502
413 1HG2 VAL 50 1HG2 VAL 50 0.628 15.079 -6.808
414 2HG2 VAL 50 2HG2 VAL 50 -0.666 14.649 -5.689
415 3HG2 VAL 50 3HG2 VAL 50 -0.222 13.544 -6.989
416 H TYR 51 H TYR 51 0.747 11.652 -2.712
417 HA TYR 51 HA TYR 51 3.305 12.043 -1.317
418 1HB TYR 51 2HB TYR 51 0.912 10.306 -0.718
419 2HB TYR 51 1HB TYR 51 2.458 10.086 0.094
420 HD1 TYR 51 1HD TYR 51 -0.036 12.772 -0.641
421 HD2 TYR 51 2HD TYR 51 2.819 11.192 2.090
422 HE1 TYR 51 1HE TYR 51 -0.665 14.489 1.001
423 HE2 TYR 51 2HE TYR 51 2.197 12.906 3.740
424 HH TYR 51 HH TYR 51 -0.324 15.309 3.033
425 H GLU 52 H GLU 52 5.017 10.819 -1.827
426 HA GLU 52 HA GLU 52 4.727 8.825 -3.918
427 1HB GLU 52 2HB GLU 52 7.131 8.799 -4.022
428 2HB GLU 52 1HB GLU 52 6.602 10.471 -3.929
429 1HG GLU 52 2HG GLU 52 7.394 10.743 -1.778
430 2HG GLU 52 1HG GLU 52 7.370 9.013 -1.440
431 H GLY 53 H GLY 53 4.955 6.618 -3.674
432 1HA GLY 53 2HA GLY 53 5.773 5.602 -1.053
433 2HA GLY 53 1HA GLY 53 4.147 5.229 -1.586
434 H GLN 54 H GLN 54 6.150 3.355 -0.954
435 HA GLN 54 HA GLN 54 6.354 1.937 -3.509
436 1HB GLN 54 2HB GLN 54 8.542 1.083 -1.976
437 2HB GLN 54 1HB GLN 54 8.592 2.052 -3.444
438 1HG GLN 54 2HG GLN 54 8.433 4.086 -2.084
439 2HG GLN 54 1HG GLN 54 8.448 3.095 -0.626
440 1HE2 GLN 54 1HE2 GLN 54 10.306 5.167 -1.549
441 2HE2 GLN 54 2HE2 GLN 54 11.862 4.418 -1.597
442 H LEU 55 H LEU 55 5.985 -0.292 -3.354
443 HA LEU 55 HA LEU 55 5.026 -1.174 -0.714
444 1HB LEU 55 2HB LEU 55 3.925 -1.363 -3.336
445 2HB LEU 55 1HB LEU 55 4.260 -2.987 -2.769
446 HG LEU 55 HG LEU 55 2.503 -0.937 -1.418
447 1HD1 LEU 55 1HD1 LEU 55 0.689 -2.210 -2.073
448 2HD1 LEU 55 2HD1 LEU 55 1.669 -3.648 -2.359
449 3HD1 LEU 55 3HD1 LEU 55 1.738 -2.296 -3.488
450 1HD2 LEU 55 1HD2 LEU 55 3.785 -3.384 -0.413
451 2HD2 LEU 55 2HD2 LEU 55 2.052 -3.262 -0.108
452 3HD2 LEU 55 3HD2 LEU 55 3.139 -1.995 0.462
453 H ILE 56 H ILE 56 6.616 -2.234 0.313
454 HA ILE 56 HA ILE 56 8.396 -3.993 -1.190
455 HB ILE 56 HB ILE 56 8.436 -3.122 1.703
456 1HG1 ILE 56 2HG1 ILE 56 10.770 -2.294 0.708
457 2HG1 ILE 56 1HG1 ILE 56 9.846 -2.300 -0.790
458 1HG2 ILE 56 1HG2 ILE 56 9.738 -5.365 0.381
459 2HG2 ILE 56 2HG2 ILE 56 9.579 -5.001 2.099
460 3HG2 ILE 56 3HG2 ILE 56 10.882 -4.270 1.160
461 1HD1 ILE 56 1HD1 ILE 56 8.127 -0.972 0.743
462 2HD1 ILE 56 2HD1 ILE 56 9.430 -0.180 -0.143
463 3HD1 ILE 56 3HD1 ILE 56 9.625 -0.546 1.572
464 H SER 57 H SER 57 8.410 -6.185 -1.008
465 HA SER 57 HA SER 57 6.315 -7.362 0.687
466 1HB SER 57 2HB SER 57 5.413 -8.293 -1.117
467 2HB SER 57 1HB SER 57 6.601 -7.452 -2.118
468 HG SER 57 HG SER 57 6.809 -9.636 -2.503
469 H ILE 58 H ILE 58 7.042 -8.588 2.201
470 HA ILE 58 HA ILE 58 9.608 -9.985 1.844
471 HB ILE 58 HB ILE 58 8.441 -9.442 4.547
472 1HG1 ILE 58 2HG1 ILE 58 9.835 -7.503 2.721
473 2HG1 ILE 58 1HG1 ILE 58 8.434 -7.245 3.750
474 1HG2 ILE 58 1HG2 ILE 58 10.423 -10.155 5.308
475 2HG2 ILE 58 2HG2 ILE 58 11.324 -9.270 4.076
476 3HG2 ILE 58 3HG2 ILE 58 10.618 -10.841 3.694
477 1HD1 ILE 58 1HD1 ILE 58 11.325 -7.300 4.502
478 2HD1 ILE 58 2HD1 ILE 58 10.066 -7.571 5.706
479 3HD1 ILE 58 3HD1 ILE 58 10.113 -6.056 4.806
480 H GLN 59 H GLN 59 9.592 -12.136 1.882
481 HA GLN 59 HA GLN 59 7.195 -13.482 2.937
482 1HB GLN 59 2HB GLN 59 7.603 -15.258 1.267
483 2HB GLN 59 1HB GLN 59 7.278 -13.697 0.527
484 1HG GLN 59 2HG GLN 59 9.583 -13.383 0.005
485 2HG GLN 59 1HG GLN 59 10.041 -14.804 0.944
486 1HE2 GLN 59 1HE2 GLN 59 8.839 -16.846 0.215
487 2HE2 GLN 59 2HE2 GLN 59 8.785 -17.113 -1.491
488 H GLN 60 H GLN 60 7.864 -16.011 3.110
489 HA GLN 60 HA GLN 60 9.663 -16.091 5.317
490 1HB GLN 60 2HB GLN 60 9.236 -18.576 5.199
491 2HB GLN 60 1HB GLN 60 7.806 -17.569 5.385
492 1HG GLN 60 2HG GLN 60 7.314 -17.791 3.021
493 2HG GLN 60 1HG GLN 60 8.777 -18.747 2.791
494 1HE2 GLN 60 1HE2 GLN 60 8.873 -20.844 3.669
495 2HE2 GLN 60 2HE2 GLN 60 7.435 -21.717 4.066
496 H TYR 61 H TYR 61 10.268 -16.018 2.062
497 HA TYR 61 HA TYR 61 12.627 -17.753 2.247
498 1HB TYR 61 2HB TYR 61 10.921 -16.797 0.017
499 2HB TYR 61 1HB TYR 61 12.636 -16.993 -0.332
500 HD1 TYR 61 1HD TYR 61 13.702 -19.232 -0.019
501 HD2 TYR 61 2HD TYR 61 9.492 -18.679 0.238
502 HE1 TYR 61 1HE TYR 61 13.374 -21.651 -0.313
503 HE2 TYR 61 2HE TYR 61 9.151 -21.098 -0.056
504 HH TYR 61 HH TYR 61 10.920 -23.070 -1.294
505 H GLY 62 H GLY 62 11.816 -14.579 2.700
506 1HA GLY 62 2HA GLY 62 13.259 -12.833 3.232
507 2HA GLY 62 1HA GLY 62 14.594 -13.776 2.592
508 H HIS 63 H HIS 63 11.898 -13.509 0.498
509 HA HIS 63 HA HIS 63 13.409 -12.130 -1.466
510 1HB HIS 63 2HB HIS 63 10.984 -13.561 -1.394
511 2HB HIS 63 1HB HIS 63 10.578 -11.944 -1.966
512 HD2 HIS 63 2HD HIS 63 12.000 -11.152 -4.330
513 HE1 HIS 63 1HE HIS 63 12.853 -15.159 -5.389
514 HE2 HIS 63 2HE HIS 63 12.993 -12.738 -6.126
515 H GLN 64 H GLN 64 12.303 -10.156 -2.609
516 HA GLN 64 HA GLN 64 11.132 -8.266 -0.751
517 1HB GLN 64 2HB GLN 64 13.939 -8.063 -1.742
518 2HB GLN 64 1HB GLN 64 13.004 -6.587 -1.553
519 1HG GLN 64 2HG GLN 64 12.813 -8.342 0.754
520 2HG GLN 64 1HG GLN 64 14.469 -7.846 0.400
521 1HE2 GLN 64 1HE2 GLN 64 13.649 -6.979 2.693
522 2HE2 GLN 64 2HE2 GLN 64 13.187 -5.315 2.662
523 H GLU 65 H GLU 65 9.376 -8.078 -2.070
524 HA GLU 65 HA GLU 65 9.782 -7.253 -4.850
525 1HB GLU 65 2HB GLU 65 8.009 -9.016 -3.769
526 2HB GLU 65 1HB GLU 65 7.037 -7.554 -3.813
527 1HG GLU 65 2HG GLU 65 6.544 -8.180 -5.895
528 2HG GLU 65 1HG GLU 65 8.137 -7.546 -6.301
529 H VAL 66 H VAL 66 9.842 -5.157 -5.288
530 HA VAL 66 HA VAL 66 8.240 -3.353 -3.605
531 HB VAL 66 HB VAL 66 10.386 -2.932 -2.860
532 1HG1 VAL 66 1HG1 VAL 66 12.366 -2.899 -4.177
533 2HG1 VAL 66 2HG1 VAL 66 11.436 -2.938 -5.676
534 3HG1 VAL 66 3HG1 VAL 66 11.450 -4.344 -4.610
535 1HG2 VAL 66 1HG2 VAL 66 10.558 -0.927 -5.036
536 2HG2 VAL 66 2HG2 VAL 66 10.651 -0.712 -3.288
537 3HG2 VAL 66 3HG2 VAL 66 9.085 -0.935 -4.068
538 H THR 67 H THR 67 7.028 -1.886 -4.582
539 HA THR 67 HA THR 67 7.488 -1.242 -7.403
540 HB THR 67 HB THR 67 4.804 -2.050 -6.260
541 HG1 THR 67 1HG THR 67 6.771 -3.402 -7.606
542 1HG2 THR 67 1HG2 THR 67 5.220 -0.190 -8.211
543 2HG2 THR 67 2HG2 THR 67 3.780 -1.201 -8.078
544 3HG2 THR 67 3HG2 THR 67 5.092 -1.672 -9.158
545 H ARG 68 H ARG 68 7.580 0.898 -7.622
546 HA ARG 68 HA ARG 68 6.680 2.626 -5.489
547 1HB ARG 68 2HB ARG 68 7.760 3.618 -8.101
548 2HB ARG 68 1HB ARG 68 7.969 4.281 -6.485
549 1HG ARG 68 2HG ARG 68 9.948 3.295 -6.413
550 2HG ARG 68 1HG ARG 68 9.119 1.741 -6.388
551 1HD ARG 68 2HD ARG 68 9.037 2.252 -9.019
552 2HD ARG 68 1HD ARG 68 10.512 3.121 -8.599
553 HE ARG 68 HE ARG 68 10.094 0.252 -8.541
554 1HH1 ARG 68 1HH1 ARG 68 12.109 2.939 -7.609
555 2HH1 ARG 68 2HH1 ARG 68 13.520 1.964 -7.370
556 1HH2 ARG 68 1HH2 ARG 68 11.946 -1.040 -8.225
557 2HH2 ARG 68 2HH2 ARG 68 13.427 -0.298 -7.720
558 H PHE 69 H PHE 69 5.020 4.046 -5.526
559 HA PHE 69 HA PHE 69 3.482 4.488 -7.949
560 1HB PHE 69 2HB PHE 69 1.358 4.016 -6.498
561 2HB PHE 69 1HB PHE 69 2.201 2.677 -7.268
562 HD1 PHE 69 1HD PHE 69 2.199 0.804 -5.964
563 HD2 PHE 69 2HD PHE 69 2.677 4.592 -4.082
564 HE1 PHE 69 1HE PHE 69 2.424 -0.310 -3.785
565 HE2 PHE 69 2HE PHE 69 2.910 3.482 -1.893
566 HZ PHE 69 HZ PHE 69 2.781 1.026 -1.747
567 H ASP 70 H ASP 70 1.939 6.242 -7.736
568 HA ASP 70 HA ASP 70 2.560 8.048 -5.489
569 1HB ASP 70 2HB ASP 70 1.841 8.892 -8.303
570 2HB ASP 70 1HB ASP 70 2.354 9.935 -6.982
571 H PHE 71 H PHE 71 0.854 8.463 -4.234
572 HA PHE 71 HA PHE 71 -1.791 8.713 -5.439
573 1HB PHE 71 2HB PHE 71 -2.838 7.080 -4.099
574 2HB PHE 71 1HB PHE 71 -1.370 6.301 -4.686
575 HD1 PHE 71 1HD PHE 71 0.538 5.953 -3.177
576 HD2 PHE 71 2HD PHE 71 -3.152 7.549 -1.780
577 HE1 PHE 71 1HE PHE 71 1.216 5.476 -0.861
578 HE2 PHE 71 2HE PHE 71 -2.486 7.078 0.539
579 HZ PHE 71 HZ PHE 71 -0.299 6.036 1.003
580 H THR 72 H THR 72 -3.393 9.601 -4.000
581 HA THR 72 HA THR 72 -2.460 10.837 -1.540
582 HB THR 72 HB THR 72 -2.399 12.969 -2.208
583 HG1 THR 72 1HG THR 72 -4.404 13.626 -2.356
584 1HG2 THR 72 1HG2 THR 72 -2.420 13.390 -4.738
585 2HG2 THR 72 2HG2 THR 72 -2.619 11.644 -4.897
586 3HG2 THR 72 3HG2 THR 72 -1.187 12.301 -4.103
587 H THR 73 H THR 73 -4.333 11.937 -0.401
588 HA THR 73 HA THR 73 -6.427 10.165 -0.026
589 HB THR 73 HB THR 73 -6.121 11.675 1.722
590 HG1 THR 73 1HG THR 73 -8.144 12.965 1.685
591 1HG2 THR 73 1HG2 THR 73 -4.925 13.469 0.922
592 2HG2 THR 73 2HG2 THR 73 -6.497 14.221 1.193
593 3HG2 THR 73 3HG2 THR 73 -6.021 13.734 -0.434
594 H THR 74 H THR 74 -6.462 13.204 -1.893
595 HA THR 74 HA THR 74 -8.816 12.166 -3.332
596 HB THR 74 HB THR 74 -10.016 14.030 -3.008
597 HG1 THR 74 1HG THR 74 -7.717 15.697 -3.141
598 1HG2 THR 74 1HG2 THR 74 -8.024 15.147 -1.089
599 2HG2 THR 74 2HG2 THR 74 -8.747 13.576 -0.745
600 3HG2 THR 74 3HG2 THR 74 -9.775 14.995 -0.936
601 H SER 75 H SER 75 -6.074 14.416 -3.478
602 HA SER 75 HA SER 75 -6.200 14.817 -6.283
603 1HB SER 75 2HB SER 75 -5.032 16.299 -4.571
604 2HB SER 75 1HB SER 75 -3.731 15.109 -4.562
605 HG SER 75 HG SER 75 -4.554 16.838 -6.615
606 H THR 76 H THR 76 -3.887 14.365 -7.447
607 HA THR 76 HA THR 76 -2.653 11.872 -6.942
608 HB THR 76 HB THR 76 -3.722 11.187 -9.425
609 HG1 THR 76 1HG THR 76 -5.423 12.781 -8.775
610 1HG2 THR 76 1HG2 THR 76 -3.179 9.507 -7.870
611 2HG2 THR 76 2HG2 THR 76 -4.934 9.424 -8.022
612 3HG2 THR 76 3HG2 THR 76 -4.207 10.212 -6.622
613 H SER 77 H SER 77 -0.888 11.514 -8.285
614 HA SER 77 HA SER 77 -0.057 13.823 -9.819
615 1HB SER 77 2HB SER 77 1.359 12.282 -8.197
616 2HB SER 77 1HB SER 77 1.592 11.334 -9.665
617 HG SER 77 HG SER 77 3.059 12.741 -10.155
618 H THR 78 H THR 78 1.101 10.762 -10.911
619 HA THR 78 HA THR 78 1.095 9.791 -12.971
620 HB THR 78 HB THR 78 -1.714 10.325 -13.585
621 HG1 THR 78 1HG THR 78 -2.319 10.265 -11.543
622 1HG2 THR 78 1HG2 THR 78 -0.713 7.645 -12.808
623 2HG2 THR 78 2HG2 THR 78 0.028 8.398 -14.220
624 3HG2 THR 78 3HG2 THR 78 -1.714 8.126 -14.178
625 HA PRO 79 HA PRO 79 1.012 13.907 -15.193
626 1HB PRO 79 2HB PRO 79 3.644 14.062 -15.753
627 2HB PRO 79 1HB PRO 79 2.975 14.611 -14.211
628 1HG PRO 79 2HG PRO 79 4.357 12.038 -14.868
629 2HG PRO 79 1HG PRO 79 4.563 13.087 -13.454
630 1HD PRO 79 2HD PRO 79 3.050 10.825 -13.419
631 2HD PRO 79 1HD PRO 79 2.709 12.235 -12.397
632 H GLY 80 H GLY 80 2.542 14.245 -17.376
633 1HA GLY 80 2HA GLY 80 1.603 12.103 -19.119
634 2HA GLY 80 1HA GLY 80 2.200 13.675 -19.630
635 H SER 81 H SER 81 4.243 12.330 -17.337
636 HA SER 81 HA SER 81 5.959 11.146 -19.418
637 1HB SER 81 2HB SER 81 7.917 12.084 -18.175
638 2HB SER 81 1HB SER 81 6.872 13.319 -18.876
639 HG SER 81 HG SER 81 7.426 13.818 -16.723
640 H ARG 82 H ARG 82 8.050 10.523 -17.544
641 HA ARG 82 HA ARG 82 8.736 8.682 -16.406
642 1HB ARG 82 2HB ARG 82 8.021 8.593 -14.186
643 2HB ARG 82 1HB ARG 82 7.716 10.257 -14.655
644 1HG ARG 82 2HG ARG 82 5.575 10.064 -14.135
645 2HG ARG 82 1HG ARG 82 5.398 8.660 -15.190
646 1HD ARG 82 2HD ARG 82 6.805 7.766 -12.932
647 2HD ARG 82 1HD ARG 82 5.500 8.784 -12.322
648 HE ARG 82 HE ARG 82 4.043 7.322 -13.827
649 1HH1 ARG 82 1HH1 ARG 82 6.923 6.213 -12.211
650 2HH1 ARG 82 2HH1 ARG 82 6.392 4.568 -12.114
651 1HH2 ARG 82 1HH2 ARG 82 3.333 5.159 -13.705
652 2HH2 ARG 82 2HH2 ARG 82 4.350 3.968 -12.965
653 H SER 83 H SER 83 6.653 8.270 -18.526
654 HA SER 83 HA SER 83 4.947 6.158 -17.728
655 1HB SER 83 2HB SER 83 5.936 6.411 -20.546
656 2HB SER 83 1HB SER 83 4.321 6.009 -19.963
657 HG SER 83 HG SER 83 4.992 8.292 -20.825
658 H HIS 84 H HIS 84 8.271 6.310 -18.689
659 HA HIS 84 HA HIS 84 8.431 3.372 -18.532
660 1HB HIS 84 2HB HIS 84 10.661 3.971 -19.926
661 2HB HIS 84 1HB HIS 84 9.121 3.587 -20.689
662 HD2 HIS 84 2HD HIS 84 8.281 5.439 -22.426
663 HE1 HIS 84 1HE HIS 84 10.647 8.644 -20.997
664 HE2 HIS 84 2HE HIS 84 8.875 7.951 -22.673
665 H HIS 85 H HIS 85 8.583 4.257 -16.173
666 HA HIS 85 HA HIS 85 10.987 5.451 -15.296
667 1HB HIS 85 2HB HIS 85 8.651 5.029 -14.098
668 2HB HIS 85 1HB HIS 85 9.488 3.604 -13.494
669 HD2 HIS 85 2HD HIS 85 9.263 4.905 -10.952
670 HE1 HIS 85 1HE HIS 85 12.377 7.628 -11.850
671 HE2 HIS 85 2HE HIS 85 10.806 6.784 -10.047
672 H HIS 86 H HIS 86 10.261 2.296 -16.351
673 HA HIS 86 HA HIS 86 12.377 0.992 -14.874
674 1HB HIS 86 2HB HIS 86 10.674 -0.023 -17.160
675 2HB HIS 86 1HB HIS 86 11.750 -1.002 -16.168
676 HD2 HIS 86 2HD HIS 86 10.393 -2.307 -14.286
677 HE1 HIS 86 1HE HIS 86 7.294 0.524 -13.750
678 HE2 HIS 86 2HE HIS 86 8.313 -1.634 -12.893
679 H HIS 87 H HIS 87 13.818 -0.516 -16.364
680 HA HIS 87 HA HIS 87 15.508 1.267 -17.825
681 1HB HIS 87 2HB HIS 87 15.589 -1.637 -17.113
682 2HB HIS 87 1HB HIS 87 16.667 -1.033 -18.367
683 HD2 HIS 87 2HD HIS 87 18.238 1.289 -17.359
684 HE1 HIS 87 1HE HIS 87 18.275 -0.427 -13.492
685 HE2 HIS 87 2HE HIS 87 19.210 1.418 -14.958
686 H HIS 88 H HIS 88 16.150 1.071 -20.025
687 HA HIS 88 HA HIS 88 13.949 0.232 -21.750
688 1HB HIS 88 2HB HIS 88 14.581 2.424 -22.275
689 2HB HIS 88 1HB HIS 88 16.298 2.073 -22.102
690 HD2 HIS 88 2HD HIS 88 17.574 1.682 -24.421
691 HE1 HIS 88 1HE HIS 88 14.162 0.890 -26.795
692 HE2 HIS 88 2HE HIS 88 16.694 1.015 -26.768
693 H HIS 89 H HIS 89 14.056 -1.445 -23.115
694 HA HIS 89 HA HIS 89 16.663 -2.647 -23.705
695 1HB HIS 89 2HB HIS 89 14.293 -4.029 -22.473
696 2HB HIS 89 1HB HIS 89 15.475 -4.924 -23.423
697 HD2 HIS 89 2HD HIS 89 18.214 -4.515 -22.349
698 HE1 HIS 89 1HE HIS 89 16.636 -4.177 -18.435
699 HE2 HIS 89 2HE HIS 89 18.698 -4.720 -19.808
Start of MODEL 14
1 1H MET 1 1HT MET 1 -2.374 -7.080 -27.693
2 2H MET 1 2HT MET 1 -1.564 -8.209 -28.657
3 3H MET 1 3HT MET 1 -0.913 -6.664 -28.439
4 HA MET 1 HA MET 1 0.346 -7.643 -26.896
5 1HB MET 1 2HB MET 1 -2.255 -7.612 -25.357
6 2HB MET 1 1HB MET 1 -0.633 -7.462 -24.696
7 1HG MET 1 2HG MET 1 -0.773 -5.406 -26.525
8 2HG MET 1 1HG MET 1 -2.384 -5.441 -25.813
9 1HE MET 1 1HE MET 1 1.211 -3.844 -25.153
10 2HE MET 1 2HE MET 1 1.307 -5.604 -25.202
11 3HE MET 1 3HE MET 1 1.596 -4.746 -23.688
12 H ARG 2 H ARG 2 0.857 -9.468 -25.523
13 HA ARG 2 HA ARG 2 -0.855 -11.804 -25.680
14 1HB ARG 2 2HB ARG 2 1.002 -13.209 -26.613
15 2HB ARG 2 1HB ARG 2 0.309 -12.064 -27.753
16 1HG ARG 2 2HG ARG 2 2.189 -10.733 -27.771
17 2HG ARG 2 1HG ARG 2 2.735 -11.305 -26.193
18 1HD ARG 2 2HD ARG 2 3.724 -13.162 -27.055
19 2HD ARG 2 1HD ARG 2 2.553 -13.310 -28.365
20 HE ARG 2 HE ARG 2 4.220 -11.023 -28.688
21 1HH1 ARG 2 1HH1 ARG 2 4.109 -14.483 -29.092
22 2HH1 ARG 2 2HH1 ARG 2 5.297 -14.503 -30.352
23 1HH2 ARG 2 1HH2 ARG 2 5.783 -11.041 -30.351
24 2HH2 ARG 2 2HH2 ARG 2 6.248 -12.548 -31.067
25 H GLY 3 H GLY 3 -0.610 -13.121 -23.954
26 1HA GLY 3 2HA GLY 3 1.578 -13.813 -22.516
27 2HA GLY 3 1HA GLY 3 1.163 -12.241 -21.850
28 H SER 4 H SER 4 -0.367 -12.122 -20.320
29 HA SER 4 HA SER 4 -1.846 -12.795 -18.729
30 1HB SER 4 2HB SER 4 -3.477 -12.809 -20.476
31 2HB SER 4 1HB SER 4 -2.883 -14.345 -21.108
32 HG SER 4 HG SER 4 -3.825 -15.403 -19.474
33 H ASN 5 H ASN 5 -0.232 -13.806 -17.465
34 HA ASN 5 HA ASN 5 0.642 -16.449 -17.765
35 1HB ASN 5 2HB ASN 5 0.944 -16.157 -15.136
36 2HB ASN 5 1HB ASN 5 1.985 -15.326 -16.287
37 1HD2 ASN 5 1HD2 ASN 5 1.685 -13.120 -16.658
38 2HD2 ASN 5 2HD2 ASN 5 0.816 -12.123 -15.547
39 H ALA 6 H ALA 6 0.202 -18.243 -16.210
40 HA ALA 6 HA ALA 6 -2.518 -18.976 -16.311
41 1HB ALA 6 1HB ALA 6 -1.629 -20.792 -14.627
42 2HB ALA 6 2HB ALA 6 -0.060 -20.149 -15.112
43 3HB ALA 6 3HB ALA 6 -1.154 -20.814 -16.325
44 HA PRO 7 HA PRO 7 -4.030 -16.887 -12.684
45 1HB PRO 7 2HB PRO 7 -6.235 -18.840 -12.768
46 2HB PRO 7 1HB PRO 7 -6.287 -17.082 -12.924
47 1HG PRO 7 2HG PRO 7 -6.722 -18.694 -15.025
48 2HG PRO 7 1HG PRO 7 -5.885 -17.138 -15.198
49 1HD PRO 7 2HD PRO 7 -4.740 -19.906 -15.084
50 2HD PRO 7 1HD PRO 7 -4.290 -18.543 -16.132
51 H GLN 8 H GLN 8 -3.164 -17.248 -10.744
52 HA GLN 8 HA GLN 8 -3.866 -19.571 -9.220
53 1HB GLN 8 2HB GLN 8 -1.446 -19.635 -10.726
54 2HB GLN 8 1HB GLN 8 -1.035 -19.537 -9.020
55 1HG GLN 8 2HG GLN 8 -2.763 -21.444 -8.746
56 2HG GLN 8 1HG GLN 8 -2.531 -21.666 -10.480
57 1HE2 GLN 8 1HE2 GLN 8 -0.142 -20.672 -8.092
58 2HE2 GLN 8 2HE2 GLN 8 0.887 -22.047 -8.279
59 HA PRO 9 HA PRO 9 -3.540 -16.591 -5.973
60 1HB PRO 9 2HB PRO 9 -2.813 -18.884 -4.239
61 2HB PRO 9 1HB PRO 9 -4.136 -17.725 -4.076
62 1HG PRO 9 2HG PRO 9 -4.604 -20.230 -4.859
63 2HG PRO 9 1HG PRO 9 -5.498 -18.869 -5.563
64 1HD PRO 9 2HD PRO 9 -3.220 -20.438 -6.707
65 2HD PRO 9 1HD PRO 9 -4.673 -19.809 -7.512
66 H SER 10 H SER 10 -2.035 -15.929 -4.187
67 HA SER 10 HA SER 10 0.722 -16.815 -4.513
68 1HB SER 10 2HB SER 10 1.147 -14.128 -4.451
69 2HB SER 10 1HB SER 10 1.120 -15.086 -5.932
70 HG SER 10 HG SER 10 -1.177 -13.849 -4.822
71 H HIS 11 H HIS 11 -1.125 -14.178 -2.999
72 HA HIS 11 HA HIS 11 -0.870 -13.201 -0.933
73 1HB HIS 11 2HB HIS 11 -1.464 -14.977 0.883
74 2HB HIS 11 1HB HIS 11 -2.650 -14.539 -0.340
75 HD2 HIS 11 2HD HIS 11 -3.279 -16.524 -2.180
76 HE1 HIS 11 1HE HIS 11 -1.062 -19.544 -0.212
77 HE2 HIS 11 2HE HIS 11 -2.889 -19.073 -1.906
78 H ILE 12 H ILE 12 1.215 -12.531 -0.712
79 HA ILE 12 HA ILE 12 3.396 -14.204 -0.019
80 HB ILE 12 HB ILE 12 3.856 -12.100 -1.057
81 1HG1 ILE 12 2HG1 ILE 12 4.818 -11.225 1.564
82 2HG1 ILE 12 1HG1 ILE 12 5.125 -12.934 1.257
83 1HG2 ILE 12 1HG2 ILE 12 2.162 -10.638 -0.622
84 2HG2 ILE 12 2HG2 ILE 12 3.395 -9.997 0.462
85 3HG2 ILE 12 3HG2 ILE 12 2.115 -11.030 1.097
86 1HD1 ILE 12 1HD1 ILE 12 5.939 -11.900 -1.076
87 2HD1 ILE 12 2HD1 ILE 12 6.996 -12.127 0.318
88 3HD1 ILE 12 3HD1 ILE 12 6.284 -10.546 -0.001
89 H SER 13 H SER 13 4.558 -14.243 2.003
90 HA SER 13 HA SER 13 3.017 -14.830 4.234
91 1HB SER 13 2HB SER 13 5.915 -13.971 4.079
92 2HB SER 13 1HB SER 13 5.156 -14.638 5.524
93 HG SER 13 HG SER 13 4.717 -16.173 3.320
94 H LYS 14 H LYS 14 4.548 -11.793 3.283
95 HA LYS 14 HA LYS 14 2.727 -10.327 4.966
96 1HB LYS 14 2HB LYS 14 4.948 -9.054 5.820
97 2HB LYS 14 1HB LYS 14 4.131 -10.313 6.733
98 1HG LYS 14 2HG LYS 14 5.699 -11.952 5.609
99 2HG LYS 14 1HG LYS 14 6.606 -10.546 5.051
100 1HD LYS 14 2HD LYS 14 5.923 -10.781 7.945
101 2HD LYS 14 1HD LYS 14 7.243 -11.752 7.293
102 1HE LYS 14 2HE LYS 14 8.141 -9.701 8.168
103 2HE LYS 14 1HE LYS 14 8.272 -9.680 6.410
104 1HZ LYS 14 1HZ LYS 14 6.874 -7.954 6.249
105 2HZ LYS 14 2HZ LYS 14 7.253 -7.685 7.876
106 3HZ LYS 14 3HZ LYS 14 5.841 -8.520 7.463
107 H TYR 15 H TYR 15 2.478 -8.217 4.378
108 HA TYR 15 HA TYR 15 4.077 -7.261 2.089
109 1HB TYR 15 2HB TYR 15 1.294 -7.855 2.176
110 2HB TYR 15 1HB TYR 15 1.453 -6.106 2.079
111 HD1 TYR 15 1HD TYR 15 3.862 -5.838 0.378
112 HD2 TYR 15 2HD TYR 15 0.548 -8.492 0.071
113 HE1 TYR 15 1HE TYR 15 4.225 -6.002 -2.048
114 HE2 TYR 15 2HE TYR 15 0.904 -8.664 -2.355
115 HH TYR 15 HH TYR 15 3.133 -8.308 -3.918
116 H ILE 16 H ILE 16 5.018 -5.301 2.460
117 HA ILE 16 HA ILE 16 3.917 -3.705 4.681
118 HB ILE 16 HB ILE 16 6.752 -3.837 3.663
119 1HG1 ILE 16 2HG1 ILE 16 5.269 -4.929 5.991
120 2HG1 ILE 16 1HG1 ILE 16 6.651 -5.590 5.128
121 1HG2 ILE 16 1HG2 ILE 16 5.563 -1.549 4.517
122 2HG2 ILE 16 2HG2 ILE 16 7.280 -1.908 4.719
123 3HG2 ILE 16 3HG2 ILE 16 6.156 -2.204 6.044
124 1HD1 ILE 16 1HD1 ILE 16 6.687 -3.430 7.217
125 2HD1 ILE 16 2HD1 ILE 16 8.094 -3.950 6.290
126 3HD1 ILE 16 3HD1 ILE 16 7.286 -5.080 7.376
127 H LEU 17 H LEU 17 3.353 -1.660 4.352
128 HA LEU 17 HA LEU 17 3.597 -0.633 1.617
129 1HB LEU 17 2HB LEU 17 1.357 -0.959 3.062
130 2HB LEU 17 1HB LEU 17 1.801 0.659 3.573
131 HG LEU 17 HG LEU 17 2.062 0.671 0.776
132 1HD1 LEU 17 1HD1 LEU 17 0.645 -1.444 0.955
133 2HD1 LEU 17 2HD1 LEU 17 0.064 -0.162 -0.108
134 3HD1 LEU 17 3HD1 LEU 17 -0.659 -0.381 1.486
135 1HD2 LEU 17 1HD2 LEU 17 1.047 2.268 2.721
136 2HD2 LEU 17 2HD2 LEU 17 -0.427 1.748 1.903
137 3HD2 LEU 17 3HD2 LEU 17 0.852 2.550 0.991
138 H ARG 18 H ARG 18 5.129 0.802 1.335
139 HA ARG 18 HA ARG 18 5.848 2.574 3.564
140 1HB ARG 18 2HB ARG 18 7.621 2.277 1.192
141 2HB ARG 18 1HB ARG 18 8.041 2.542 2.879
142 1HG ARG 18 2HG ARG 18 6.772 -0.017 2.544
143 2HG ARG 18 1HG ARG 18 8.157 0.146 1.461
144 1HD ARG 18 2HD ARG 18 8.137 0.528 4.450
145 2HD ARG 18 1HD ARG 18 8.876 -0.801 3.559
146 HE ARG 18 HE ARG 18 10.165 1.280 2.519
147 1HH1 ARG 18 1HH1 ARG 18 9.421 0.511 5.834
148 2HH1 ARG 18 2HH1 ARG 18 10.818 1.314 6.469
149 1HH2 ARG 18 1HH2 ARG 18 12.006 2.339 3.345
150 2HH2 ARG 18 2HH2 ARG 18 12.287 2.354 5.054
151 H TRP 19 H TRP 19 5.662 4.747 3.318
152 HA TRP 19 HA TRP 19 5.548 5.964 0.728
153 1HB TRP 19 2HB TRP 19 3.312 6.579 0.584
154 2HB TRP 19 1HB TRP 19 3.209 4.938 1.209
155 HD1 TRP 19 HD TRP 19 2.531 8.560 2.169
156 HE1 TRP 19 1HE TRP 19 1.184 8.603 4.361
157 HE3 TRP 19 3HE TRP 19 2.809 3.603 3.392
158 HZ2 TRP 19 2HZ TRP 19 0.346 6.778 6.344
159 HZ3 TRP 19 3HZ TRP 19 1.705 2.834 5.453
160 HH2 TRP 19 HH TRP 19 0.499 4.390 6.897
161 H ARG 20 H ARG 20 5.613 8.203 0.758
162 HA ARG 20 HA ARG 20 5.526 9.691 3.210
163 1HB ARG 20 2HB ARG 20 7.819 10.371 3.286
164 2HB ARG 20 1HB ARG 20 7.800 8.614 3.243
165 1HG ARG 20 2HG ARG 20 9.222 8.720 1.551
166 2HG ARG 20 1HG ARG 20 7.917 9.390 0.573
167 1HD ARG 20 2HD ARG 20 8.786 11.461 0.615
168 2HD ARG 20 1HD ARG 20 9.251 11.335 2.312
169 HE ARG 20 HE ARG 20 10.933 9.718 0.722
170 1HH1 ARG 20 1HH1 ARG 20 10.297 13.057 1.488
171 2HH1 ARG 20 2HH1 ARG 20 11.917 13.573 1.157
172 1HH2 ARG 20 1HH2 ARG 20 13.064 10.386 0.292
173 2HH2 ARG 20 2HH2 ARG 20 13.491 12.053 0.477
174 HA PRO 21 HA PRO 21 4.378 12.932 0.449
175 1HB PRO 21 2HB PRO 21 6.114 14.724 2.078
176 2HB PRO 21 1HB PRO 21 4.403 14.886 1.664
177 1HG PRO 21 2HG PRO 21 5.069 14.142 4.104
178 2HG PRO 21 1HG PRO 21 3.741 13.316 3.261
179 1HD PRO 21 2HD PRO 21 6.580 12.413 3.637
180 2HD PRO 21 1HD PRO 21 5.072 11.493 3.844
181 H LYS 22 H LYS 22 5.184 12.995 -1.535
182 HA LYS 22 HA LYS 22 7.947 12.898 -2.150
183 1HB LYS 22 2HB LYS 22 5.945 12.142 -3.578
184 2HB LYS 22 1HB LYS 22 5.806 13.830 -4.050
185 1HG LYS 22 2HG LYS 22 8.505 13.153 -4.401
186 2HG LYS 22 1HG LYS 22 7.567 11.803 -5.046
187 1HD LYS 22 2HD LYS 22 6.547 14.453 -5.782
188 2HD LYS 22 1HD LYS 22 8.155 14.090 -6.408
189 1HE LYS 22 2HE LYS 22 5.785 12.253 -6.702
190 2HE LYS 22 1HE LYS 22 6.258 13.442 -7.914
191 1HZ LYS 22 1HZ LYS 22 7.867 11.134 -6.968
192 2HZ LYS 22 2HZ LYS 22 8.448 12.331 -8.012
193 3HZ LYS 22 3HZ LYS 22 7.176 11.330 -8.499
194 H ASN 23 H ASN 23 5.635 15.513 -1.822
195 HA ASN 23 HA ASN 23 7.567 17.471 -2.791
196 1HB ASN 23 2HB ASN 23 5.334 17.842 -3.559
197 2HB ASN 23 1HB ASN 23 4.680 17.686 -1.932
198 1HD2 ASN 23 1HD2 ASN 23 7.335 19.551 -3.372
199 2HD2 ASN 23 2HD2 ASN 23 6.815 21.081 -2.763
200 H SER 24 H SER 24 5.817 16.659 0.183
201 HA SER 24 HA SER 24 7.353 18.648 1.667
202 1HB SER 24 2HB SER 24 4.748 17.601 1.917
203 2HB SER 24 1HB SER 24 5.639 17.032 3.328
204 HG SER 24 HG SER 24 5.937 19.706 2.594
205 H VAL 25 H VAL 25 7.450 17.430 4.153
206 HA VAL 25 HA VAL 25 9.156 15.072 3.741
207 HB VAL 25 HB VAL 25 10.689 15.944 5.511
208 1HG1 VAL 25 1HG1 VAL 25 10.427 16.904 2.776
209 2HG1 VAL 25 2HG1 VAL 25 11.850 16.322 3.641
210 3HG1 VAL 25 3HG1 VAL 25 11.345 18.004 3.805
211 1HG2 VAL 25 1HG2 VAL 25 8.862 17.643 6.256
212 2HG2 VAL 25 2HG2 VAL 25 9.576 18.672 5.016
213 3HG2 VAL 25 3HG2 VAL 25 10.565 18.090 6.356
214 H GLY 26 H GLY 26 9.538 13.853 5.780
215 1HA GLY 26 2HA GLY 26 8.476 14.046 8.213
216 2HA GLY 26 1HA GLY 26 7.037 13.693 7.267
217 H ARG 27 H ARG 27 10.112 12.377 6.348
218 HA ARG 27 HA ARG 27 10.904 10.252 6.221
219 1HB ARG 27 2HB ARG 27 10.023 10.624 8.895
220 2HB ARG 27 1HB ARG 27 9.581 8.992 8.417
221 1HG ARG 27 2HG ARG 27 11.970 8.716 7.636
222 2HG ARG 27 1HG ARG 27 12.314 10.232 8.472
223 1HD ARG 27 2HD ARG 27 12.782 8.800 10.171
224 2HD ARG 27 1HD ARG 27 11.047 8.967 10.443
225 HE ARG 27 HE ARG 27 11.529 6.834 8.666
226 1HH1 ARG 27 1HH1 ARG 27 11.876 7.694 12.027
227 2HH1 ARG 27 2HH1 ARG 27 11.759 6.060 12.588
228 1HH2 ARG 27 1HH2 ARG 27 11.374 4.682 9.397
229 2HH2 ARG 27 2HH2 ARG 27 11.474 4.348 11.094
230 H TRP 28 H TRP 28 10.082 7.807 6.430
231 HA TRP 28 HA TRP 28 7.747 7.682 4.687
232 1HB TRP 28 2HB TRP 28 9.895 5.696 5.421
233 2HB TRP 28 1HB TRP 28 8.466 5.234 4.502
234 HD1 TRP 28 HD TRP 28 11.230 7.960 4.175
235 HE1 TRP 28 1HE TRP 28 11.867 8.130 1.687
236 HE3 TRP 28 3HE TRP 28 7.970 4.518 2.268
237 HZ2 TRP 28 2HZ TRP 28 11.090 6.956 -0.762
238 HZ3 TRP 28 3HZ TRP 28 7.979 4.099 -0.157
239 HH2 TRP 28 HH TRP 28 9.507 5.293 -1.638
240 H LYS 29 H LYS 29 6.561 5.402 5.054
241 HA LYS 29 HA LYS 29 6.000 4.959 7.884
242 1HB LYS 29 2HB LYS 29 4.389 6.678 6.528
243 2HB LYS 29 1HB LYS 29 3.587 5.152 6.184
244 1HG LYS 29 2HG LYS 29 2.632 5.182 8.176
245 2HG LYS 29 1HG LYS 29 4.214 5.231 8.957
246 1HD LYS 29 2HD LYS 29 4.233 7.694 8.643
247 2HD LYS 29 1HD LYS 29 2.593 7.589 8.000
248 1HE LYS 29 2HE LYS 29 3.344 6.542 10.717
249 2HE LYS 29 1HE LYS 29 2.819 8.204 10.452
250 1HZ LYS 29 1HZ LYS 29 0.911 6.774 9.191
251 2HZ LYS 29 2HZ LYS 29 0.784 7.377 10.767
252 3HZ LYS 29 3HZ LYS 29 1.272 5.778 10.511
253 H GLU 30 H GLU 30 5.351 2.843 8.308
254 HA GLU 30 HA GLU 30 5.200 1.096 5.937
255 1HB GLU 30 2HB GLU 30 6.177 0.085 8.578
256 2HB GLU 30 1HB GLU 30 6.509 -0.521 6.962
257 1HG GLU 30 2HG GLU 30 8.251 0.864 6.655
258 2HG GLU 30 1HG GLU 30 7.482 2.197 7.516
259 H ALA 31 H ALA 31 3.573 -0.287 5.760
260 HA ALA 31 HA ALA 31 1.885 -0.847 8.097
261 1HB ALA 31 1HB ALA 31 1.078 0.415 5.536
262 2HB ALA 31 2HB ALA 31 0.437 0.643 7.164
263 3HB ALA 31 3HB ALA 31 -0.017 -0.782 6.229
264 H THR 32 H THR 32 2.094 -2.966 8.379
265 HA THR 32 HA THR 32 2.582 -4.709 6.114
266 HB THR 32 HB THR 32 2.498 -5.432 9.043
267 HG1 THR 32 1HG THR 32 4.505 -4.754 9.114
268 1HG2 THR 32 1HG2 THR 32 3.517 -6.927 6.619
269 2HG2 THR 32 2HG2 THR 32 2.126 -7.361 7.616
270 3HG2 THR 32 3HG2 THR 32 3.755 -7.433 8.293
271 H ILE 33 H ILE 33 1.313 -6.289 5.388
272 HA ILE 33 HA ILE 33 -1.223 -6.866 6.715
273 HB ILE 33 HB ILE 33 -1.834 -6.908 3.982
274 1HG1 ILE 33 2HG1 ILE 33 -0.762 -4.172 4.644
275 2HG1 ILE 33 1HG1 ILE 33 0.239 -5.376 3.839
276 1HG2 ILE 33 1HG2 ILE 33 -3.560 -6.406 5.412
277 2HG2 ILE 33 2HG2 ILE 33 -3.217 -4.819 4.722
278 3HG2 ILE 33 3HG2 ILE 33 -2.608 -5.234 6.325
279 1HD1 ILE 33 1HD1 ILE 33 -2.066 -3.834 2.821
280 2HD1 ILE 33 2HD1 ILE 33 -1.874 -5.486 2.235
281 3HD1 ILE 33 3HD1 ILE 33 -0.572 -4.315 2.017
282 HA PRO 34 HA PRO 34 0.711 -10.852 5.715
283 1HB PRO 34 2HB PRO 34 -1.261 -12.323 6.961
284 2HB PRO 34 1HB PRO 34 0.151 -11.648 7.782
285 1HG PRO 34 2HG PRO 34 -2.634 -10.562 7.603
286 2HG PRO 34 1HG PRO 34 -1.548 -10.632 9.004
287 1HD PRO 34 2HD PRO 34 -1.881 -8.359 7.642
288 2HD PRO 34 1HD PRO 34 -0.288 -8.819 8.273
289 H GLY 35 H GLY 35 0.270 -10.656 3.452
290 1HA GLY 35 2HA GLY 35 -0.770 -11.201 1.477
291 2HA GLY 35 1HA GLY 35 -1.413 -12.570 2.370
292 H HIS 36 H HIS 36 -2.035 -9.105 2.791
293 HA HIS 36 HA HIS 36 -3.959 -7.896 2.816
294 1HB HIS 36 2HB HIS 36 -3.868 -8.681 0.377
295 2HB HIS 36 1HB HIS 36 -5.086 -9.867 0.834
296 HD2 HIS 36 2HD HIS 36 -7.177 -8.139 2.473
297 HE1 HIS 36 1HE HIS 36 -7.045 -5.463 -0.804
298 HE2 HIS 36 2HE HIS 36 -8.261 -6.074 1.336
299 H LEU 37 H LEU 37 -4.455 -8.481 4.966
300 HA LEU 37 HA LEU 37 -6.129 -10.770 5.485
301 1HB LEU 37 2HB LEU 37 -5.762 -10.382 7.703
302 2HB LEU 37 1HB LEU 37 -4.352 -9.591 7.025
303 HG LEU 37 HG LEU 37 -6.656 -7.806 7.326
304 1HD1 LEU 37 1HD1 LEU 37 -5.662 -7.880 9.921
305 2HD1 LEU 37 2HD1 LEU 37 -5.959 -9.567 9.500
306 3HD1 LEU 37 3HD1 LEU 37 -7.263 -8.386 9.381
307 1HD2 LEU 37 1HD2 LEU 37 -3.770 -7.715 8.190
308 2HD2 LEU 37 2HD2 LEU 37 -4.913 -6.381 8.347
309 3HD2 LEU 37 3HD2 LEU 37 -4.468 -6.978 6.747
310 H ASN 38 H ASN 38 -6.542 -7.331 5.019
311 HA ASN 38 HA ASN 38 -9.334 -7.627 4.537
312 1HB ASN 38 2HB ASN 38 -10.277 -6.511 6.374
313 2HB ASN 38 1HB ASN 38 -9.103 -7.602 7.105
314 1HD2 ASN 38 1HD2 ASN 38 -10.310 -4.638 7.355
315 2HD2 ASN 38 2HD2 ASN 38 -8.945 -3.783 7.976
316 H SER 39 H SER 39 -10.252 -5.094 4.789
317 HA SER 39 HA SER 39 -8.792 -3.731 2.716
318 1HB SER 39 2HB SER 39 -11.421 -3.874 3.275
319 2HB SER 39 1HB SER 39 -11.036 -2.354 4.083
320 HG SER 39 HG SER 39 -9.891 -1.963 1.914
321 H TYR 40 H TYR 40 -7.179 -2.379 3.056
322 HA TYR 40 HA TYR 40 -6.985 -1.014 5.655
323 1HB TYR 40 2HB TYR 40 -5.126 -2.597 4.768
324 2HB TYR 40 1HB TYR 40 -4.719 -1.264 3.693
325 HD1 TYR 40 1HD TYR 40 -4.270 -2.661 6.937
326 HD2 TYR 40 2HD TYR 40 -4.230 1.014 4.793
327 HE1 TYR 40 1HE TYR 40 -2.925 -1.640 8.724
328 HE2 TYR 40 2HE TYR 40 -2.884 2.046 6.572
329 HH TYR 40 HH TYR 40 -2.329 0.471 9.604
330 H THR 41 H THR 41 -7.282 1.115 5.722
331 HA THR 41 HA THR 41 -7.278 2.605 3.186
332 HB THR 41 HB THR 41 -9.426 2.579 4.421
333 HG1 THR 41 1HG THR 41 -8.184 5.146 4.379
334 1HG2 THR 41 1HG2 THR 41 -9.566 2.966 6.615
335 2HG2 THR 41 2HG2 THR 41 -8.692 4.489 6.458
336 3HG2 THR 41 3HG2 THR 41 -7.804 2.979 6.665
337 H ILE 42 H ILE 42 -6.271 4.613 3.037
338 HA ILE 42 HA ILE 42 -4.187 5.078 5.058
339 HB ILE 42 HB ILE 42 -4.332 5.763 2.129
340 1HG1 ILE 42 2HG1 ILE 42 -1.859 4.634 3.049
341 2HG1 ILE 42 1HG1 ILE 42 -3.197 3.655 3.640
342 1HG2 ILE 42 1HG2 ILE 42 -2.558 6.927 4.246
343 2HG2 ILE 42 2HG2 ILE 42 -3.433 7.747 2.952
344 3HG2 ILE 42 3HG2 ILE 42 -2.006 6.780 2.577
345 1HD1 ILE 42 1HD1 ILE 42 -3.794 4.181 0.970
346 2HD1 ILE 42 2HD1 ILE 42 -3.231 2.662 1.669
347 3HD1 ILE 42 3HD1 ILE 42 -2.069 3.814 1.009
348 H LYS 43 H LYS 43 -4.008 6.990 6.103
349 HA LYS 43 HA LYS 43 -6.173 8.603 6.568
350 1HB LYS 43 2HB LYS 43 -3.767 8.453 7.677
351 2HB LYS 43 1HB LYS 43 -3.478 9.873 6.680
352 1HG LYS 43 2HG LYS 43 -4.240 10.950 8.503
353 2HG LYS 43 1HG LYS 43 -5.812 10.581 7.790
354 1HD LYS 43 2HD LYS 43 -4.501 8.651 9.669
355 2HD LYS 43 1HD LYS 43 -5.397 10.039 10.290
356 1HE LYS 43 2HE LYS 43 -7.290 8.908 10.031
357 2HE LYS 43 1HE LYS 43 -6.997 8.842 8.293
358 1HZ LYS 43 1HZ LYS 43 -6.083 6.867 10.313
359 2HZ LYS 43 2HZ LYS 43 -5.676 6.821 8.672
360 3HZ LYS 43 3HZ LYS 43 -7.288 6.635 9.147
361 H GLY 44 H GLY 44 -6.663 10.801 6.017
362 1HA GLY 44 2HA GLY 44 -6.793 11.281 3.267
363 2HA GLY 44 1HA GLY 44 -7.104 12.476 4.515
364 H LEU 45 H LEU 45 -5.453 12.134 1.831
365 HA LEU 45 HA LEU 45 -2.820 12.923 2.588
366 1HB LEU 45 2HB LEU 45 -4.294 12.883 -0.036
367 2HB LEU 45 1HB LEU 45 -2.628 13.380 0.106
368 HG LEU 45 HG LEU 45 -2.510 11.158 -0.601
369 1HD1 LEU 45 1HD1 LEU 45 -1.337 10.071 1.090
370 2HD1 LEU 45 2HD1 LEU 45 -2.344 10.761 2.361
371 3HD1 LEU 45 3HD1 LEU 45 -1.190 11.779 1.502
372 1HD2 LEU 45 1HD2 LEU 45 -5.046 10.923 0.484
373 2HD2 LEU 45 2HD2 LEU 45 -4.064 9.813 1.439
374 3HD2 LEU 45 3HD2 LEU 45 -4.122 9.651 -0.316
375 H LYS 46 H LYS 46 -3.028 14.985 0.223
376 HA LYS 46 HA LYS 46 -4.421 17.164 1.522
377 1HB LYS 46 2HB LYS 46 -2.307 17.196 2.712
378 2HB LYS 46 1HB LYS 46 -1.417 17.194 1.196
379 1HG LYS 46 2HG LYS 46 -2.114 19.393 0.675
380 2HG LYS 46 1HG LYS 46 -3.316 19.393 1.962
381 1HD LYS 46 2HD LYS 46 -0.329 19.311 2.334
382 2HD LYS 46 1HD LYS 46 -1.374 20.711 2.574
383 1HE LYS 46 2HE LYS 46 -1.344 18.150 4.160
384 2HE LYS 46 1HE LYS 46 -0.906 19.762 4.718
385 1HZ LYS 46 1HZ LYS 46 -3.038 20.315 5.045
386 2HZ LYS 46 2HZ LYS 46 -3.313 18.647 5.068
387 3HZ LYS 46 3HZ LYS 46 -3.586 19.529 3.651
388 HA PRO 47 HA PRO 47 -5.004 18.197 -2.750
389 1HB PRO 47 2HB PRO 47 -5.681 20.897 -1.789
390 2HB PRO 47 1HB PRO 47 -6.683 19.731 -2.655
391 1HG PRO 47 2HG PRO 47 -7.091 20.294 -0.060
392 2HG PRO 47 1HG PRO 47 -7.354 18.668 -0.720
393 1HD PRO 47 2HD PRO 47 -5.044 19.719 0.868
394 2HD PRO 47 1HD PRO 47 -5.863 18.147 0.974
395 H GLY 48 H GLY 48 -3.289 18.530 -4.018
396 1HA GLY 48 2HA GLY 48 -1.908 20.112 -5.171
397 2HA GLY 48 1HA GLY 48 -1.790 21.039 -3.684
398 H VAL 49 H VAL 49 -1.411 18.086 -2.529
399 HA VAL 49 HA VAL 49 1.493 18.049 -3.043
400 HB VAL 49 HB VAL 49 0.323 16.951 -0.515
401 1HG1 VAL 49 1HG1 VAL 49 2.894 17.166 -1.611
402 2HG1 VAL 49 2HG1 VAL 49 2.456 16.637 0.013
403 3HG1 VAL 49 3HG1 VAL 49 2.829 18.334 -0.292
404 1HG2 VAL 49 1HG2 VAL 49 -0.330 18.940 0.217
405 2HG2 VAL 49 2HG2 VAL 49 0.174 19.694 -1.296
406 3HG2 VAL 49 3HG2 VAL 49 1.322 19.531 0.032
407 H VAL 50 H VAL 50 2.368 16.201 -3.743
408 HA VAL 50 HA VAL 50 0.615 13.861 -3.978
409 HB VAL 50 HB VAL 50 3.139 14.639 -5.432
410 1HG1 VAL 50 1HG1 VAL 50 3.534 12.382 -5.297
411 2HG1 VAL 50 2HG1 VAL 50 2.524 12.446 -6.742
412 3HG1 VAL 50 3HG1 VAL 50 1.821 11.977 -5.194
413 1HG2 VAL 50 1HG2 VAL 50 1.811 15.227 -7.133
414 2HG2 VAL 50 2HG2 VAL 50 0.514 15.229 -5.938
415 3HG2 VAL 50 3HG2 VAL 50 0.786 13.804 -6.943
416 H TYR 51 H TYR 51 1.066 11.948 -3.018
417 HA TYR 51 HA TYR 51 3.403 11.893 -1.236
418 1HB TYR 51 2HB TYR 51 0.714 10.543 -1.112
419 2HB TYR 51 1HB TYR 51 2.071 9.978 -0.143
420 HD1 TYR 51 1HD TYR 51 0.237 13.144 -0.916
421 HD2 TYR 51 2HD TYR 51 2.319 10.834 1.988
422 HE1 TYR 51 1HE TYR 51 -0.299 14.825 0.797
423 HE2 TYR 51 2HE TYR 51 1.788 12.508 3.709
424 HH TYR 51 HH TYR 51 -0.509 14.627 3.568
425 H GLU 52 H GLU 52 5.056 10.680 -1.854
426 HA GLU 52 HA GLU 52 4.747 8.756 -3.989
427 1HB GLU 52 2HB GLU 52 7.136 8.531 -3.935
428 2HB GLU 52 1HB GLU 52 6.749 10.239 -3.782
429 1HG GLU 52 2HG GLU 52 7.159 10.146 -1.397
430 2HG GLU 52 1HG GLU 52 7.472 8.414 -1.500
431 H GLY 53 H GLY 53 4.773 6.542 -3.835
432 1HA GLY 53 2HA GLY 53 5.213 5.392 -1.169
433 2HA GLY 53 1HA GLY 53 3.680 5.094 -1.970
434 H GLN 54 H GLN 54 5.790 3.296 -1.075
435 HA GLN 54 HA GLN 54 6.169 1.815 -3.569
436 1HB GLN 54 2HB GLN 54 8.369 2.406 -3.315
437 2HB GLN 54 1HB GLN 54 8.209 2.664 -1.583
438 1HG GLN 54 2HG GLN 54 8.205 0.242 -1.234
439 2HG GLN 54 1HG GLN 54 8.407 0.005 -2.971
440 1HE2 GLN 54 1HE2 GLN 54 10.293 1.499 -3.822
441 2HE2 GLN 54 2HE2 GLN 54 11.771 1.331 -2.945
442 H LEU 55 H LEU 55 6.107 -0.491 -3.292
443 HA LEU 55 HA LEU 55 5.072 -1.343 -0.667
444 1HB LEU 55 2HB LEU 55 3.335 -1.172 -2.449
445 2HB LEU 55 1HB LEU 55 4.199 -2.398 -3.354
446 HG LEU 55 HG LEU 55 3.832 -3.977 -1.452
447 1HD1 LEU 55 1HD1 LEU 55 3.152 -1.678 -0.062
448 2HD1 LEU 55 2HD1 LEU 55 2.941 -3.342 0.484
449 3HD1 LEU 55 3HD1 LEU 55 1.615 -2.503 -0.320
450 1HD2 LEU 55 1HD2 LEU 55 1.286 -2.811 -2.566
451 2HD2 LEU 55 2HD2 LEU 55 1.559 -4.468 -2.025
452 3HD2 LEU 55 3HD2 LEU 55 2.373 -3.866 -3.470
453 H ILE 56 H ILE 56 6.569 -2.583 0.262
454 HA ILE 56 HA ILE 56 8.201 -4.350 -1.407
455 HB ILE 56 HB ILE 56 8.522 -3.644 1.516
456 1HG1 ILE 56 2HG1 ILE 56 10.626 -2.945 -0.410
457 2HG1 ILE 56 1HG1 ILE 56 9.111 -2.095 -0.664
458 1HG2 ILE 56 1HG2 ILE 56 10.256 -5.281 -0.324
459 2HG2 ILE 56 2HG2 ILE 56 9.347 -5.877 1.065
460 3HG2 ILE 56 3HG2 ILE 56 10.702 -4.773 1.303
461 1HD1 ILE 56 1HD1 ILE 56 10.040 -0.648 0.789
462 2HD1 ILE 56 2HD1 ILE 56 11.063 -1.881 1.526
463 3HD1 ILE 56 3HD1 ILE 56 9.363 -1.762 1.977
464 H SER 57 H SER 57 8.151 -6.535 -1.255
465 HA SER 57 HA SER 57 6.110 -7.684 0.522
466 1HB SER 57 2HB SER 57 6.992 -9.246 -1.830
467 2HB SER 57 1HB SER 57 5.375 -9.032 -1.155
468 HG SER 57 HG SER 57 5.411 -7.963 -3.089
469 H ILE 58 H ILE 58 6.848 -8.923 2.074
470 HA ILE 58 HA ILE 58 9.517 -10.132 1.799
471 HB ILE 58 HB ILE 58 8.058 -9.506 4.369
472 1HG1 ILE 58 2HG1 ILE 58 10.439 -7.963 4.007
473 2HG1 ILE 58 1HG1 ILE 58 9.421 -7.755 2.585
474 1HG2 ILE 58 1HG2 ILE 58 9.664 -11.357 4.507
475 2HG2 ILE 58 2HG2 ILE 58 10.194 -9.955 5.436
476 3HG2 ILE 58 3HG2 ILE 58 10.924 -10.302 3.868
477 1HD1 ILE 58 1HD1 ILE 58 9.188 -6.216 4.712
478 2HD1 ILE 58 2HD1 ILE 58 8.142 -7.531 5.248
479 3HD1 ILE 58 3HD1 ILE 58 7.789 -6.682 3.744
480 H GLN 59 H GLN 59 9.633 -12.266 1.686
481 HA GLN 59 HA GLN 59 7.332 -13.843 2.636
482 1HB GLN 59 2HB GLN 59 8.731 -15.476 0.888
483 2HB GLN 59 1HB GLN 59 7.236 -14.619 0.540
484 1HG GLN 59 2HG GLN 59 8.623 -12.687 -0.230
485 2HG GLN 59 1HG GLN 59 10.042 -13.717 -0.056
486 1HE2 GLN 59 1HE2 GLN 59 9.044 -16.113 -0.972
487 2HE2 GLN 59 2HE2 GLN 59 8.681 -15.976 -2.656
488 H GLN 60 H GLN 60 8.129 -16.276 2.892
489 HA GLN 60 HA GLN 60 9.869 -16.269 5.128
490 1HB GLN 60 2HB GLN 60 9.705 -18.798 4.874
491 2HB GLN 60 1HB GLN 60 8.196 -17.929 5.122
492 1HG GLN 60 2HG GLN 60 7.589 -18.150 2.847
493 2HG GLN 60 1HG GLN 60 9.198 -18.716 2.403
494 1HE2 GLN 60 1HE2 GLN 60 9.863 -20.711 3.790
495 2HE2 GLN 60 2HE2 GLN 60 8.680 -21.969 3.857
496 H TYR 61 H TYR 61 10.462 -16.339 1.798
497 HA TYR 61 HA TYR 61 13.089 -17.598 2.139
498 1HB TYR 61 2HB TYR 61 11.200 -17.322 -0.097
499 2HB TYR 61 1HB TYR 61 12.884 -17.049 -0.536
500 HD1 TYR 61 1HD TYR 61 14.207 -18.874 -1.077
501 HD2 TYR 61 2HD TYR 61 10.744 -19.486 1.316
502 HE1 TYR 61 1HE TYR 61 14.579 -21.303 -1.172
503 HE2 TYR 61 2HE TYR 61 11.106 -21.916 1.229
504 HH TYR 61 HH TYR 61 13.673 -23.375 0.677
505 H GLY 62 H GLY 62 11.725 -14.595 2.260
506 1HA GLY 62 2HA GLY 62 12.576 -12.465 2.204
507 2HA GLY 62 1HA GLY 62 14.156 -13.214 2.373
508 H HIS 63 H HIS 63 11.651 -12.779 -0.132
509 HA HIS 63 HA HIS 63 13.718 -12.639 -2.177
510 1HB HIS 63 2HB HIS 63 10.811 -13.104 -2.123
511 2HB HIS 63 1HB HIS 63 11.373 -12.145 -3.488
512 HD2 HIS 63 2HD HIS 63 10.264 -15.188 -3.950
513 HE1 HIS 63 1HE HIS 63 14.356 -16.061 -4.592
514 HE2 HIS 63 2HE HIS 63 11.973 -16.770 -5.094
515 H GLN 64 H GLN 64 11.388 -10.579 -0.568
516 HA GLN 64 HA GLN 64 11.108 -8.332 -0.489
517 1HB GLN 64 2HB GLN 64 13.967 -8.547 -1.360
518 2HB GLN 64 1HB GLN 64 13.192 -6.971 -1.272
519 1HG GLN 64 2HG GLN 64 12.676 -8.467 1.123
520 2HG GLN 64 1HG GLN 64 14.409 -8.396 0.797
521 1HE2 GLN 64 1HE2 GLN 64 12.528 -7.068 2.781
522 2HE2 GLN 64 2HE2 GLN 64 12.945 -5.394 2.689
523 H GLU 65 H GLU 65 9.453 -8.313 -2.002
524 HA GLU 65 HA GLU 65 10.130 -7.695 -4.786
525 1HB GLU 65 2HB GLU 65 8.246 -9.356 -3.793
526 2HB GLU 65 1HB GLU 65 7.303 -7.877 -3.891
527 1HG GLU 65 2HG GLU 65 6.909 -8.410 -6.007
528 2HG GLU 65 1HG GLU 65 8.591 -7.993 -6.333
529 H VAL 66 H VAL 66 9.522 -5.702 -5.747
530 HA VAL 66 HA VAL 66 8.361 -3.741 -3.887
531 HB VAL 66 HB VAL 66 10.676 -3.091 -5.697
532 1HG1 VAL 66 1HG1 VAL 66 10.737 -1.169 -3.908
533 2HG1 VAL 66 2HG1 VAL 66 9.035 -1.593 -3.711
534 3HG1 VAL 66 3HG1 VAL 66 9.641 -1.082 -5.288
535 1HG2 VAL 66 1HG2 VAL 66 10.681 -4.503 -3.214
536 2HG2 VAL 66 2HG2 VAL 66 11.423 -2.920 -2.978
537 3HG2 VAL 66 3HG2 VAL 66 12.049 -4.011 -4.213
538 H THR 67 H THR 67 6.944 -2.346 -4.664
539 HA THR 67 HA THR 67 6.656 -1.970 -7.556
540 HB THR 67 HB THR 67 4.264 -2.471 -5.775
541 HG1 THR 67 1HG THR 67 4.743 -4.383 -7.650
542 1HG2 THR 67 1HG2 THR 67 3.677 -3.026 -8.445
543 2HG2 THR 67 2HG2 THR 67 4.640 -1.549 -8.488
544 3HG2 THR 67 3HG2 THR 67 3.167 -1.614 -7.520
545 H ARG 68 H ARG 68 6.670 0.169 -7.948
546 HA ARG 68 HA ARG 68 6.173 2.004 -5.741
547 1HB ARG 68 2HB ARG 68 7.003 2.825 -8.508
548 2HB ARG 68 1HB ARG 68 7.312 3.637 -6.981
549 1HG ARG 68 2HG ARG 68 8.591 1.300 -6.555
550 2HG ARG 68 1HG ARG 68 8.784 1.466 -8.301
551 1HD ARG 68 2HD ARG 68 9.875 3.554 -8.074
552 2HD ARG 68 1HD ARG 68 9.415 3.690 -6.377
553 HE ARG 68 HE ARG 68 11.328 1.673 -7.364
554 1HH1 ARG 68 1HH1 ARG 68 10.318 4.059 -5.034
555 2HH1 ARG 68 2HH1 ARG 68 11.676 3.802 -3.991
556 1HH2 ARG 68 1HH2 ARG 68 13.115 1.324 -5.998
557 2HH2 ARG 68 2HH2 ARG 68 13.268 2.246 -4.540
558 H PHE 69 H PHE 69 4.685 3.674 -5.761
559 HA PHE 69 HA PHE 69 2.877 4.045 -7.970
560 1HB PHE 69 2HB PHE 69 0.879 3.682 -6.325
561 2HB PHE 69 1HB PHE 69 1.585 2.308 -7.165
562 HD1 PHE 69 1HD PHE 69 1.670 0.434 -5.881
563 HD2 PHE 69 2HD PHE 69 2.381 4.200 -4.030
564 HE1 PHE 69 1HE PHE 69 2.033 -0.696 -3.730
565 HE2 PHE 69 2HE PHE 69 2.755 3.074 -1.869
566 HZ PHE 69 HZ PHE 69 2.579 0.620 -1.722
567 H ASP 70 H ASP 70 1.723 5.954 -7.873
568 HA ASP 70 HA ASP 70 2.411 7.737 -5.626
569 1HB ASP 70 2HB ASP 70 1.981 8.358 -8.555
570 2HB ASP 70 1HB ASP 70 2.034 9.602 -7.310
571 H PHE 71 H PHE 71 0.740 8.674 -4.526
572 HA PHE 71 HA PHE 71 -1.910 8.647 -5.751
573 1HB PHE 71 2HB PHE 71 -2.952 7.457 -3.968
574 2HB PHE 71 1HB PHE 71 -1.565 6.500 -4.486
575 HD1 PHE 71 1HD PHE 71 -3.017 8.486 -1.794
576 HD2 PHE 71 2HD PHE 71 0.401 6.293 -3.068
577 HE1 PHE 71 1HE PHE 71 -2.186 8.447 0.520
578 HE2 PHE 71 2HE PHE 71 1.238 6.247 -0.754
579 HZ PHE 71 HZ PHE 71 -0.056 7.323 1.044
580 H THR 72 H THR 72 -3.386 10.079 -4.902
581 HA THR 72 HA THR 72 -2.593 11.832 -2.712
582 HB THR 72 HB THR 72 -2.875 13.864 -3.902
583 HG1 THR 72 1HG THR 72 -3.907 14.009 -5.791
584 1HG2 THR 72 1HG2 THR 72 -0.743 12.451 -4.351
585 2HG2 THR 72 2HG2 THR 72 -1.054 13.874 -5.346
586 3HG2 THR 72 3HG2 THR 72 -1.413 12.264 -5.972
587 H THR 73 H THR 73 -4.432 13.236 -2.029
588 HA THR 73 HA THR 73 -6.880 11.699 -2.101
589 HB THR 73 HB THR 73 -6.269 12.606 0.033
590 HG1 THR 73 1HG THR 73 -8.291 14.410 -0.479
591 1HG2 THR 73 1HG2 THR 73 -5.199 14.548 0.208
592 2HG2 THR 73 2HG2 THR 73 -6.662 15.397 -0.293
593 3HG2 THR 73 3HG2 THR 73 -5.488 14.876 -1.501
594 H THR 74 H THR 74 -5.665 14.699 -3.440
595 HA THR 74 HA THR 74 -7.817 14.802 -5.328
596 HB THR 74 HB THR 74 -9.152 15.883 -3.772
597 HG1 THR 74 1HG THR 74 -9.260 17.984 -4.497
598 1HG2 THR 74 1HG2 THR 74 -8.027 17.859 -2.407
599 2HG2 THR 74 2HG2 THR 74 -6.576 16.892 -2.679
600 3HG2 THR 74 3HG2 THR 74 -7.961 16.188 -1.844
601 H SER 75 H SER 75 -4.736 15.522 -4.307
602 HA SER 75 HA SER 75 -4.026 17.867 -5.593
603 1HB SER 75 2HB SER 75 -2.429 16.801 -4.171
604 2HB SER 75 1HB SER 75 -2.452 15.329 -5.141
605 HG SER 75 HG SER 75 -1.418 17.865 -5.872
606 H THR 76 H THR 76 -3.110 14.719 -6.962
607 HA THR 76 HA THR 76 -4.390 15.137 -9.461
608 HB THR 76 HB THR 76 -2.523 16.830 -9.588
609 HG1 THR 76 1HG THR 76 -3.392 15.115 -11.391
610 1HG2 THR 76 1HG2 THR 76 -0.700 15.821 -8.514
611 2HG2 THR 76 2HG2 THR 76 -0.279 15.756 -10.225
612 3HG2 THR 76 3HG2 THR 76 -0.888 14.315 -9.413
613 H SER 77 H SER 77 -2.921 13.667 -11.172
614 HA SER 77 HA SER 77 -2.454 11.528 -11.771
615 1HB SER 77 2HB SER 77 -1.072 11.833 -9.145
616 2HB SER 77 1HB SER 77 -1.187 10.213 -9.833
617 HG SER 77 HG SER 77 0.546 12.068 -10.454
618 H THR 78 H THR 78 -2.316 9.487 -9.348
619 HA THR 78 HA THR 78 -3.689 7.868 -8.534
620 HB THR 78 HB THR 78 -6.073 9.602 -8.359
621 HG1 THR 78 1HG THR 78 -3.553 10.352 -7.342
622 1HG2 THR 78 1HG2 THR 78 -4.552 7.700 -6.630
623 2HG2 THR 78 2HG2 THR 78 -6.263 7.705 -7.062
624 3HG2 THR 78 3HG2 THR 78 -5.649 8.860 -5.879
625 HA PRO 79 HA PRO 79 -6.109 7.502 -12.498
626 1HB PRO 79 2HB PRO 79 -4.409 6.212 -14.090
627 2HB PRO 79 1HB PRO 79 -4.266 7.956 -13.841
628 1HG PRO 79 2HG PRO 79 -2.640 5.739 -12.696
629 2HG PRO 79 1HG PRO 79 -2.136 7.364 -13.190
630 1HD PRO 79 2HD PRO 79 -2.712 6.516 -10.568
631 2HD PRO 79 1HD PRO 79 -2.517 8.192 -11.114
632 H GLY 80 H GLY 80 -6.300 5.294 -13.880
633 1HA GLY 80 2HA GLY 80 -6.782 3.219 -11.858
634 2HA GLY 80 1HA GLY 80 -7.551 3.316 -13.436
635 H SER 81 H SER 81 -4.131 3.794 -13.151
636 HA SER 81 HA SER 81 -3.703 1.230 -14.524
637 1HB SER 81 2HB SER 81 -3.031 3.348 -15.704
638 2HB SER 81 1HB SER 81 -1.835 3.609 -14.435
639 HG SER 81 HG SER 81 -0.662 2.491 -15.812
640 H ARG 82 H ARG 82 -3.824 1.976 -11.535
641 HA ARG 82 HA ARG 82 -1.152 1.205 -10.666
642 1HB ARG 82 2HB ARG 82 -2.857 2.959 -9.591
643 2HB ARG 82 1HB ARG 82 -3.387 1.522 -8.729
644 1HG ARG 82 2HG ARG 82 -0.915 1.190 -8.147
645 2HG ARG 82 1HG ARG 82 -0.710 2.864 -8.668
646 1HD ARG 82 2HD ARG 82 -1.084 2.555 -6.208
647 2HD ARG 82 1HD ARG 82 -2.213 3.652 -7.003
648 HE ARG 82 HE ARG 82 -2.916 0.850 -6.421
649 1HH1 ARG 82 1HH1 ARG 82 -3.599 4.265 -6.288
650 2HH1 ARG 82 2HH1 ARG 82 -5.189 4.052 -5.635
651 1HH2 ARG 82 1HH2 ARG 82 -5.008 0.561 -5.560
652 2HH2 ARG 82 2HH2 ARG 82 -5.990 1.947 -5.221
653 H SER 83 H SER 83 -2.350 -0.792 -12.123
654 HA SER 83 HA SER 83 -2.910 -2.998 -12.098
655 1HB SER 83 2HB SER 83 -1.830 -3.065 -9.279
656 2HB SER 83 1HB SER 83 -1.821 -4.356 -10.480
657 HG SER 83 HG SER 83 -0.563 -2.156 -11.414
658 H HIS 84 H HIS 84 -5.122 -1.757 -11.841
659 HA HIS 84 HA HIS 84 -6.597 -1.858 -9.488
660 1HB HIS 84 2HB HIS 84 -7.127 -0.861 -11.873
661 2HB HIS 84 1HB HIS 84 -7.948 -2.401 -12.099
662 HD2 HIS 84 2HD HIS 84 -8.042 0.152 -9.073
663 HE1 HIS 84 1HE HIS 84 -11.968 -0.910 -10.246
664 HE2 HIS 84 2HE HIS 84 -10.578 0.576 -8.733
665 H HIS 85 H HIS 85 -7.957 -3.346 -8.555
666 HA HIS 85 HA HIS 85 -8.052 -6.037 -9.719
667 1HB HIS 85 2HB HIS 85 -7.786 -6.855 -7.261
668 2HB HIS 85 1HB HIS 85 -6.349 -6.405 -8.172
669 HD2 HIS 85 2HD HIS 85 -4.987 -5.740 -5.842
670 HE1 HIS 85 1HE HIS 85 -7.459 -2.428 -4.928
671 HE2 HIS 85 2HE HIS 85 -5.226 -3.542 -4.484
672 H HIS 86 H HIS 86 -9.801 -7.358 -8.904
673 HA HIS 86 HA HIS 86 -11.860 -5.986 -7.361
674 1HB HIS 86 2HB HIS 86 -11.963 -6.169 -10.192
675 2HB HIS 86 1HB HIS 86 -13.170 -7.281 -9.554
676 HD2 HIS 86 2HD HIS 86 -12.364 -3.750 -8.019
677 HE1 HIS 86 1HE HIS 86 -16.366 -3.857 -9.393
678 HE2 HIS 86 2HE HIS 86 -14.576 -2.425 -8.309
679 H HIS 87 H HIS 87 -13.214 -7.343 -6.241
680 HA HIS 87 HA HIS 87 -13.826 -9.231 -5.131
681 1HB HIS 87 2HB HIS 87 -13.493 -10.235 -7.944
682 2HB HIS 87 1HB HIS 87 -13.945 -11.333 -6.645
683 HD2 HIS 87 2HD HIS 87 -16.557 -11.746 -7.127
684 HE1 HIS 87 1HE HIS 87 -17.669 -7.677 -7.471
685 HE2 HIS 87 2HE HIS 87 -18.520 -10.055 -7.245
686 H HIS 88 H HIS 88 -12.984 -11.902 -5.392
687 HA HIS 88 HA HIS 88 -10.458 -11.747 -4.035
688 1HB HIS 88 2HB HIS 88 -11.933 -14.239 -4.900
689 2HB HIS 88 1HB HIS 88 -10.721 -14.102 -3.630
690 HD2 HIS 88 2HD HIS 88 -11.883 -11.779 -1.806
691 HE1 HIS 88 1HE HIS 88 -15.502 -13.971 -1.896
692 HE2 HIS 88 2HE HIS 88 -14.265 -12.042 -0.813
693 H HIS 89 H HIS 89 -11.602 -12.890 -7.166
694 HA HIS 89 HA HIS 89 -8.801 -13.345 -7.960
695 1HB HIS 89 2HB HIS 89 -11.021 -15.050 -8.176
696 2HB HIS 89 1HB HIS 89 -10.725 -14.460 -9.808
697 HD2 HIS 89 2HD HIS 89 -8.409 -15.977 -6.976
698 HE1 HIS 89 1HE HIS 89 -7.295 -17.480 -10.772
699 HE2 HIS 89 2HE HIS 89 -6.704 -17.408 -8.307
Start of MODEL 15
1 1H MET 1 1HT MET 1 -8.161 -30.634 12.234
2 2H MET 1 2HT MET 1 -7.019 -31.477 11.314
3 3H MET 1 3HT MET 1 -8.281 -30.653 10.546
4 HA MET 1 HA MET 1 -6.060 -29.430 12.081
5 1HB MET 1 2HB MET 1 -6.403 -30.222 9.333
6 2HB MET 1 1HB MET 1 -6.217 -28.477 9.429
7 1HG MET 1 2HG MET 1 -4.075 -29.530 9.104
8 2HG MET 1 1HG MET 1 -4.144 -28.770 10.694
9 1HE MET 1 1HE MET 1 -2.833 -31.232 12.882
10 2HE MET 1 2HE MET 1 -4.479 -30.653 13.145
11 3HE MET 1 3HE MET 1 -3.267 -29.577 12.451
12 H ARG 2 H ARG 2 -6.802 -27.725 13.173
13 HA ARG 2 HA ARG 2 -8.209 -25.626 11.829
14 1HB ARG 2 2HB ARG 2 -10.119 -25.649 13.529
15 2HB ARG 2 1HB ARG 2 -10.183 -26.841 12.237
16 1HG ARG 2 2HG ARG 2 -8.815 -28.156 14.227
17 2HG ARG 2 1HG ARG 2 -10.011 -27.210 15.115
18 1HD ARG 2 2HD ARG 2 -10.817 -29.464 14.487
19 2HD ARG 2 1HD ARG 2 -11.801 -28.162 13.819
20 HE ARG 2 HE ARG 2 -10.009 -28.717 11.847
21 1HH1 ARG 2 1HH1 ARG 2 -12.296 -30.611 13.673
22 2HH1 ARG 2 2HH1 ARG 2 -12.570 -31.747 12.395
23 1HH2 ARG 2 1HH2 ARG 2 -10.364 -30.209 10.160
24 2HH2 ARG 2 2HH2 ARG 2 -11.472 -31.520 10.399
25 H GLY 3 H GLY 3 -9.078 -24.064 13.794
26 1HA GLY 3 2HA GLY 3 -8.517 -23.066 15.876
27 2HA GLY 3 1HA GLY 3 -7.015 -23.976 15.878
28 H SER 4 H SER 4 -6.616 -23.185 12.992
29 HA SER 4 HA SER 4 -5.286 -21.677 11.923
30 1HB SER 4 2HB SER 4 -6.206 -19.459 11.723
31 2HB SER 4 1HB SER 4 -7.547 -20.600 11.813
32 HG SER 4 HG SER 4 -6.785 -18.620 13.573
33 H ASN 5 H ASN 5 -4.243 -22.497 14.412
34 HA ASN 5 HA ASN 5 -3.179 -20.109 15.687
35 1HB ASN 5 2HB ASN 5 -3.799 -22.639 16.624
36 2HB ASN 5 1HB ASN 5 -2.040 -22.663 16.541
37 1HD2 ASN 5 1HD2 ASN 5 -4.788 -21.501 18.192
38 2HD2 ASN 5 2HD2 ASN 5 -3.961 -20.592 19.407
39 H ALA 6 H ALA 6 -2.287 -19.832 13.300
40 HA ALA 6 HA ALA 6 -0.471 -19.638 11.946
41 1HB ALA 6 1HB ALA 6 1.753 -19.643 13.094
42 2HB ALA 6 2HB ALA 6 0.920 -20.110 14.576
43 3HB ALA 6 3HB ALA 6 0.557 -18.564 13.808
44 HA PRO 7 HA PRO 7 0.217 -24.235 11.704
45 1HB PRO 7 2HB PRO 7 -1.651 -24.944 9.914
46 2HB PRO 7 1HB PRO 7 -2.026 -24.768 11.631
47 1HG PRO 7 2HG PRO 7 -2.682 -22.978 9.359
48 2HG PRO 7 1HG PRO 7 -3.571 -23.259 10.863
49 1HD PRO 7 2HD PRO 7 -1.851 -21.089 10.282
50 2HD PRO 7 1HD PRO 7 -2.561 -21.493 11.855
51 H GLN 8 H GLN 8 -0.997 -22.560 8.788
52 HA GLN 8 HA GLN 8 1.619 -22.791 7.542
53 1HB GLN 8 2HB GLN 8 0.022 -24.861 7.091
54 2HB GLN 8 1HB GLN 8 -0.676 -23.766 5.906
55 1HG GLN 8 2HG GLN 8 1.379 -23.576 4.741
56 2HG GLN 8 1HG GLN 8 2.259 -24.394 6.033
57 1HE2 GLN 8 1HE2 GLN 8 2.973 -25.685 4.143
58 2HE2 GLN 8 2HE2 GLN 8 2.015 -27.049 3.689
59 HA PRO 9 HA PRO 9 0.030 -18.684 6.531
60 1HB PRO 9 2HB PRO 9 2.651 -18.568 5.143
61 2HB PRO 9 1HB PRO 9 1.943 -17.445 6.309
62 1HG PRO 9 2HG PRO 9 3.925 -19.077 7.023
63 2HG PRO 9 1HG PRO 9 2.584 -18.730 8.133
64 1HD PRO 9 2HD PRO 9 3.076 -21.157 6.451
65 2HD PRO 9 1HD PRO 9 2.457 -21.044 8.113
66 H SER 10 H SER 10 -0.735 -17.690 4.679
67 HA SER 10 HA SER 10 -0.594 -19.309 2.221
68 1HB SER 10 2HB SER 10 -2.850 -19.002 3.493
69 2HB SER 10 1HB SER 10 -2.830 -17.384 2.792
70 HG SER 10 HG SER 10 -3.055 -19.876 1.528
71 H HIS 11 H HIS 11 -0.304 -18.280 0.254
72 HA HIS 11 HA HIS 11 0.560 -16.750 -1.179
73 1HB HIS 11 2HB HIS 11 -0.938 -14.841 0.628
74 2HB HIS 11 1HB HIS 11 -0.276 -14.418 -0.952
75 HD2 HIS 11 2HD HIS 11 -3.466 -14.197 -0.503
76 HE1 HIS 11 1HE HIS 11 -3.602 -17.763 -2.780
77 HE2 HIS 11 2HE HIS 11 -4.903 -15.715 -2.040
78 H ILE 12 H ILE 12 0.855 -13.974 0.712
79 HA ILE 12 HA ILE 12 3.733 -14.433 0.959
80 HB ILE 12 HB ILE 12 3.059 -12.419 -0.254
81 1HG1 ILE 12 2HG1 ILE 12 4.083 -10.880 1.882
82 2HG1 ILE 12 1HG1 ILE 12 4.773 -12.491 2.059
83 1HG2 ILE 12 1HG2 ILE 12 1.071 -12.234 1.684
84 2HG2 ILE 12 2HG2 ILE 12 1.408 -11.077 0.397
85 3HG2 ILE 12 3HG2 ILE 12 2.130 -10.857 1.991
86 1HD1 ILE 12 1HD1 ILE 12 5.771 -10.517 0.480
87 2HD1 ILE 12 2HD1 ILE 12 4.839 -11.470 -0.674
88 3HD1 ILE 12 3HD1 ILE 12 6.102 -12.238 0.287
89 H SER 13 H SER 13 4.843 -14.210 2.870
90 HA SER 13 HA SER 13 3.535 -14.889 5.257
91 1HB SER 13 2HB SER 13 6.214 -14.549 4.395
92 2HB SER 13 1HB SER 13 6.008 -13.541 5.829
93 HG SER 13 HG SER 13 5.264 -15.371 6.938
94 H LYS 14 H LYS 14 4.812 -11.792 4.091
95 HA LYS 14 HA LYS 14 2.789 -10.317 5.453
96 1HB LYS 14 2HB LYS 14 4.583 -8.969 6.775
97 2HB LYS 14 1HB LYS 14 3.970 -10.476 7.441
98 1HG LYS 14 2HG LYS 14 6.074 -11.135 7.649
99 2HG LYS 14 1HG LYS 14 6.152 -11.228 5.889
100 1HD LYS 14 2HD LYS 14 7.278 -9.251 5.699
101 2HD LYS 14 1HD LYS 14 6.544 -8.569 7.151
102 1HE LYS 14 2HE LYS 14 9.089 -9.326 7.069
103 2HE LYS 14 1HE LYS 14 8.113 -9.463 8.531
104 1HZ LYS 14 1HZ LYS 14 9.462 -11.479 7.822
105 2HZ LYS 14 2HZ LYS 14 8.317 -11.688 6.594
106 3HZ LYS 14 3HZ LYS 14 7.838 -11.743 8.215
107 H TYR 15 H TYR 15 2.614 -8.236 4.717
108 HA TYR 15 HA TYR 15 4.487 -7.460 2.576
109 1HB TYR 15 2HB TYR 15 1.690 -7.749 2.553
110 2HB TYR 15 1HB TYR 15 1.975 -6.014 2.577
111 HD1 TYR 15 1HD TYR 15 3.880 -5.243 0.849
112 HD2 TYR 15 2HD TYR 15 1.519 -8.764 0.501
113 HE1 TYR 15 1HE TYR 15 4.288 -5.270 -1.576
114 HE2 TYR 15 2HE TYR 15 1.923 -8.803 -1.923
115 HH TYR 15 HH TYR 15 4.006 -7.733 -3.461
116 H ILE 16 H ILE 16 5.493 -5.482 2.715
117 HA ILE 16 HA ILE 16 4.722 -3.796 5.006
118 HB ILE 16 HB ILE 16 7.448 -4.195 3.781
119 1HG1 ILE 16 2HG1 ILE 16 7.940 -4.493 6.315
120 2HG1 ILE 16 1HG1 ILE 16 6.198 -4.693 6.472
121 1HG2 ILE 16 1HG2 ILE 16 6.355 -1.775 4.796
122 2HG2 ILE 16 2HG2 ILE 16 8.022 -2.104 4.315
123 3HG2 ILE 16 3HG2 ILE 16 7.516 -2.376 5.982
124 1HD1 ILE 16 1HD1 ILE 16 6.210 -6.632 5.123
125 2HD1 ILE 16 2HD1 ILE 16 7.532 -6.805 6.279
126 3HD1 ILE 16 3HD1 ILE 16 7.874 -6.346 4.611
127 H LEU 17 H LEU 17 4.194 -1.758 4.655
128 HA LEU 17 HA LEU 17 4.494 -0.726 1.923
129 1HB LEU 17 2HB LEU 17 2.188 -1.231 3.162
130 2HB LEU 17 1HB LEU 17 2.469 0.378 3.786
131 HG LEU 17 HG LEU 17 2.078 -0.456 0.915
132 1HD1 LEU 17 1HD1 LEU 17 0.657 1.715 2.415
133 2HD1 LEU 17 2HD1 LEU 17 0.141 0.032 2.522
134 3HD1 LEU 17 3HD1 LEU 17 0.151 0.853 0.961
135 1HD2 LEU 17 1HD2 LEU 17 2.359 2.064 0.495
136 2HD2 LEU 17 2HD2 LEU 17 3.803 1.063 0.662
137 3HD2 LEU 17 3HD2 LEU 17 3.261 2.062 2.011
138 H ARG 18 H ARG 18 6.020 0.770 1.826
139 HA ARG 18 HA ARG 18 6.331 2.569 4.127
140 1HB ARG 18 2HB ARG 18 8.446 1.890 2.083
141 2HB ARG 18 1HB ARG 18 8.661 2.821 3.560
142 1HG ARG 18 2HG ARG 18 8.845 0.989 4.840
143 2HG ARG 18 1HG ARG 18 7.598 0.114 3.952
144 1HD ARG 18 2HD ARG 18 9.124 -0.981 2.763
145 2HD ARG 18 1HD ARG 18 9.914 0.525 2.297
146 HE ARG 18 HE ARG 18 10.676 -1.258 4.446
147 1HH1 ARG 18 1HH1 ARG 18 11.008 1.902 3.017
148 2HH1 ARG 18 2HH1 ARG 18 12.522 2.233 3.791
149 1HH2 ARG 18 1HH2 ARG 18 12.668 -0.830 5.468
150 2HH2 ARG 18 2HH2 ARG 18 13.466 0.681 5.183
151 H TRP 19 H TRP 19 5.934 4.664 3.786
152 HA TRP 19 HA TRP 19 6.211 5.734 1.087
153 1HB TRP 19 2HB TRP 19 4.006 6.624 0.957
154 2HB TRP 19 1HB TRP 19 3.849 4.921 1.370
155 HD1 TRP 19 HD TRP 19 3.067 8.387 2.656
156 HE1 TRP 19 1HE TRP 19 1.699 8.197 4.828
157 HE3 TRP 19 3HE TRP 19 3.562 3.369 3.495
158 HZ2 TRP 19 2HZ TRP 19 0.930 6.187 6.654
159 HZ3 TRP 19 3HZ TRP 19 2.478 2.390 5.474
160 HH2 TRP 19 HH TRP 19 1.190 3.772 7.021
161 H ARG 20 H ARG 20 6.035 8.057 0.977
162 HA ARG 20 HA ARG 20 6.227 9.618 3.383
163 1HB ARG 20 2HB ARG 20 8.464 9.524 3.567
164 2HB ARG 20 1HB ARG 20 8.606 8.628 2.065
165 1HG ARG 20 2HG ARG 20 8.119 11.528 1.809
166 2HG ARG 20 1HG ARG 20 9.687 11.043 2.456
167 1HD ARG 20 2HD ARG 20 8.910 9.450 0.159
168 2HD ARG 20 1HD ARG 20 8.965 11.172 -0.217
169 HE ARG 20 HE ARG 20 11.219 9.552 0.756
170 1HH1 ARG 20 1HH1 ARG 20 9.962 12.456 -0.698
171 2HH1 ARG 20 2HH1 ARG 20 11.520 13.060 -1.151
172 1HH2 ARG 20 1HH2 ARG 20 13.280 10.341 0.165
173 2HH2 ARG 20 2HH2 ARG 20 13.406 11.859 -0.661
174 HA PRO 21 HA PRO 21 4.372 12.643 0.767
175 1HB PRO 21 2HB PRO 21 6.201 14.634 2.020
176 2HB PRO 21 1HB PRO 21 4.437 14.647 1.893
177 1HG PRO 21 2HG PRO 21 5.575 14.069 4.209
178 2HG PRO 21 1HG PRO 21 4.172 13.137 3.647
179 1HD PRO 21 2HD PRO 21 7.078 12.395 3.589
180 2HD PRO 21 1HD PRO 21 5.671 11.403 4.032
181 H LYS 22 H LYS 22 4.739 12.954 -1.306
182 HA LYS 22 HA LYS 22 7.382 12.959 -2.412
183 1HB LYS 22 2HB LYS 22 5.293 11.947 -3.451
184 2HB LYS 22 1HB LYS 22 4.812 13.588 -3.859
185 1HG LYS 22 2HG LYS 22 7.065 13.771 -5.041
186 2HG LYS 22 1HG LYS 22 7.146 12.014 -4.888
187 1HD LYS 22 2HD LYS 22 5.150 11.739 -6.171
188 2HD LYS 22 1HD LYS 22 4.827 13.474 -6.145
189 1HE LYS 22 2HE LYS 22 5.775 12.604 -8.295
190 2HE LYS 22 1HE LYS 22 6.684 13.924 -7.558
191 1HZ LYS 22 1HZ LYS 22 7.560 11.315 -6.723
192 2HZ LYS 22 2HZ LYS 22 8.464 12.630 -7.282
193 3HZ LYS 22 3HZ LYS 22 7.735 11.577 -8.386
194 H ASN 23 H ASN 23 4.847 15.358 -1.902
195 HA ASN 23 HA ASN 23 6.353 17.440 -3.231
196 1HB ASN 23 2HB ASN 23 3.853 17.328 -3.295
197 2HB ASN 23 1HB ASN 23 3.836 17.692 -1.573
198 1HD2 ASN 23 1HD2 ASN 23 4.050 19.749 -0.908
199 2HD2 ASN 23 2HD2 ASN 23 4.253 21.101 -1.965
200 H SER 24 H SER 24 5.526 16.505 0.066
201 HA SER 24 HA SER 24 7.143 18.706 1.118
202 1HB SER 24 2HB SER 24 4.796 17.333 2.023
203 2HB SER 24 1HB SER 24 6.070 17.141 3.228
204 HG SER 24 HG SER 24 5.813 19.153 3.748
205 H VAL 25 H VAL 25 8.965 18.385 2.364
206 HA VAL 25 HA VAL 25 10.276 15.819 2.003
207 HB VAL 25 HB VAL 25 11.585 17.802 1.539
208 1HG1 VAL 25 1HG1 VAL 25 12.240 19.080 3.808
209 2HG1 VAL 25 2HG1 VAL 25 10.573 18.645 4.179
210 3HG1 VAL 25 3HG1 VAL 25 10.936 19.600 2.741
211 1HG2 VAL 25 1HG2 VAL 25 12.992 17.114 3.986
212 2HG2 VAL 25 2HG2 VAL 25 13.449 16.844 2.304
213 3HG2 VAL 25 3HG2 VAL 25 12.395 15.694 3.127
214 H GLY 26 H GLY 26 10.611 14.327 3.547
215 1HA GLY 26 2HA GLY 26 10.719 14.895 6.327
216 2HA GLY 26 1HA GLY 26 9.135 14.268 5.898
217 H ARG 27 H ARG 27 9.252 12.315 6.915
218 HA ARG 27 HA ARG 27 11.398 10.499 6.029
219 1HB ARG 27 2HB ARG 27 10.048 9.463 8.323
220 2HB ARG 27 1HB ARG 27 11.732 9.938 8.161
221 1HG ARG 27 2HG ARG 27 11.137 12.240 8.736
222 2HG ARG 27 1HG ARG 27 9.449 11.754 8.907
223 1HD ARG 27 2HD ARG 27 9.815 11.093 10.994
224 2HD ARG 27 1HD ARG 27 11.093 10.005 10.454
225 HE ARG 27 HE ARG 27 12.465 12.221 10.513
226 1HH1 ARG 27 1HH1 ARG 27 10.016 11.189 12.768
227 2HH1 ARG 27 2HH1 ARG 27 10.708 12.040 14.108
228 1HH2 ARG 27 1HH2 ARG 27 13.381 13.348 12.271
229 2HH2 ARG 27 2HH2 ARG 27 12.620 13.270 13.825
230 H TRP 28 H TRP 28 10.610 8.100 6.336
231 HA TRP 28 HA TRP 28 8.256 7.848 4.650
232 1HB TRP 28 2HB TRP 28 10.387 5.900 5.524
233 2HB TRP 28 1HB TRP 28 8.962 5.398 4.619
234 HD1 TRP 28 HD TRP 28 11.747 8.085 4.171
235 HE1 TRP 28 1HE TRP 28 12.399 8.126 1.682
236 HE3 TRP 28 3HE TRP 28 8.483 4.564 2.417
237 HZ2 TRP 28 2HZ TRP 28 11.632 6.835 -0.710
238 HZ3 TRP 28 3HZ TRP 28 8.505 4.024 0.017
239 HH2 TRP 28 HH TRP 28 10.048 5.138 -1.513
240 H LYS 29 H LYS 29 7.328 5.335 5.329
241 HA LYS 29 HA LYS 29 6.648 5.316 8.148
242 1HB LYS 29 2HB LYS 29 4.736 6.123 6.004
243 2HB LYS 29 1HB LYS 29 4.132 5.092 7.294
244 1HG LYS 29 2HG LYS 29 5.579 7.136 8.555
245 2HG LYS 29 1HG LYS 29 4.613 7.913 7.299
246 1HD LYS 29 2HD LYS 29 2.611 6.752 8.165
247 2HD LYS 29 1HD LYS 29 3.596 6.068 9.459
248 1HE LYS 29 2HE LYS 29 2.311 8.072 10.152
249 2HE LYS 29 1HE LYS 29 4.055 8.256 10.341
250 1HZ LYS 29 1HZ LYS 29 2.521 10.067 9.164
251 2HZ LYS 29 2HZ LYS 29 2.935 9.145 7.808
252 3HZ LYS 29 3HZ LYS 29 4.148 9.840 8.761
253 H GLU 30 H GLU 30 5.568 3.305 8.763
254 HA GLU 30 HA GLU 30 5.888 1.223 6.702
255 1HB GLU 30 2HB GLU 30 6.523 1.055 9.648
256 2HB GLU 30 1HB GLU 30 6.520 -0.324 8.556
257 1HG GLU 30 2HG GLU 30 8.463 0.274 7.564
258 2HG GLU 30 1HG GLU 30 8.164 2.000 7.766
259 H ALA 31 H ALA 31 4.240 -0.070 6.322
260 HA ALA 31 HA ALA 31 2.145 -0.437 8.330
261 1HB ALA 31 1HB ALA 31 1.378 1.415 6.922
262 2HB ALA 31 2HB ALA 31 0.376 -0.019 6.696
263 3HB ALA 31 3HB ALA 31 1.585 0.412 5.486
264 H THR 32 H THR 32 2.153 -2.577 8.610
265 HA THR 32 HA THR 32 2.838 -4.343 6.408
266 HB THR 32 HB THR 32 2.293 -4.977 9.312
267 HG1 THR 32 1HG THR 32 4.708 -5.530 8.911
268 1HG2 THR 32 1HG2 THR 32 1.744 -6.848 7.749
269 2HG2 THR 32 2HG2 THR 32 3.079 -7.211 8.845
270 3HG2 THR 32 3HG2 THR 32 3.409 -6.791 7.165
271 H ILE 33 H ILE 33 1.540 -5.840 5.482
272 HA ILE 33 HA ILE 33 -1.233 -6.062 6.389
273 HB ILE 33 HB ILE 33 -0.718 -5.891 3.449
274 1HG1 ILE 33 2HG1 ILE 33 -1.686 -3.369 4.353
275 2HG1 ILE 33 1HG1 ILE 33 -0.218 -3.733 5.255
276 1HG2 ILE 33 1HG2 ILE 33 -3.002 -5.421 3.296
277 2HG2 ILE 33 2HG2 ILE 33 -3.108 -4.940 4.989
278 3HG2 ILE 33 3HG2 ILE 33 -2.891 -6.638 4.567
279 1HD1 ILE 33 1HD1 ILE 33 0.624 -4.357 2.801
280 2HD1 ILE 33 2HD1 ILE 33 0.733 -2.731 3.475
281 3HD1 ILE 33 3HD1 ILE 33 -0.593 -3.149 2.390
282 HA PRO 34 HA PRO 34 0.268 -10.297 5.793
283 1HB PRO 34 2HB PRO 34 -1.930 -11.473 6.917
284 2HB PRO 34 1HB PRO 34 -0.574 -10.838 7.854
285 1HG PRO 34 2HG PRO 34 -3.220 -9.570 7.252
286 2HG PRO 34 1HG PRO 34 -2.324 -9.615 8.783
287 1HD PRO 34 2HD PRO 34 -2.304 -7.441 7.203
288 2HD PRO 34 1HD PRO 34 -0.871 -7.934 8.126
289 H GLY 35 H GLY 35 0.085 -10.261 3.514
290 1HA GLY 35 2HA GLY 35 -0.754 -11.068 1.530
291 2HA GLY 35 1HA GLY 35 -2.008 -11.872 2.464
292 H HIS 36 H HIS 36 -4.015 -10.973 2.609
293 HA HIS 36 HA HIS 36 -4.570 -8.266 1.915
294 1HB HIS 36 2HB HIS 36 -4.149 -9.485 -0.327
295 2HB HIS 36 1HB HIS 36 -5.699 -10.264 -0.029
296 HD2 HIS 36 2HD HIS 36 -6.580 -7.043 1.257
297 HE1 HIS 36 1HE HIS 36 -6.784 -6.479 -2.932
298 HE2 HIS 36 2HE HIS 36 -7.587 -5.641 -0.679
299 H LEU 37 H LEU 37 -5.378 -8.865 4.127
300 HA LEU 37 HA LEU 37 -7.675 -10.537 4.364
301 1HB LEU 37 2HB LEU 37 -7.784 -9.815 6.630
302 2HB LEU 37 1HB LEU 37 -6.091 -10.016 6.223
303 HG LEU 37 HG LEU 37 -7.299 -7.296 5.988
304 1HD1 LEU 37 1HD1 LEU 37 -7.905 -8.443 8.231
305 2HD1 LEU 37 2HD1 LEU 37 -7.211 -6.822 8.246
306 3HD1 LEU 37 3HD1 LEU 37 -6.196 -8.219 8.608
307 1HD2 LEU 37 1HD2 LEU 37 -4.789 -7.248 7.205
308 2HD2 LEU 37 2HD2 LEU 37 -5.168 -6.870 5.524
309 3HD2 LEU 37 3HD2 LEU 37 -4.681 -8.504 5.973
310 H ASN 38 H ASN 38 -7.148 -7.124 3.792
311 HA ASN 38 HA ASN 38 -9.819 -6.786 2.843
312 1HB ASN 38 2HB ASN 38 -10.757 -5.413 4.465
313 2HB ASN 38 1HB ASN 38 -9.905 -6.604 5.443
314 1HD2 ASN 38 1HD2 ASN 38 -7.385 -5.825 5.495
315 2HD2 ASN 38 2HD2 ASN 38 -7.218 -4.240 6.160
316 H SER 39 H SER 39 -10.181 -4.230 2.576
317 HA SER 39 HA SER 39 -8.004 -3.387 0.896
318 1HB SER 39 2HB SER 39 -10.578 -3.094 0.531
319 2HB SER 39 1HB SER 39 -10.369 -1.652 1.524
320 HG SER 39 HG SER 39 -9.566 -0.703 -0.156
321 H TYR 40 H TYR 40 -6.253 -2.521 1.805
322 HA TYR 40 HA TYR 40 -6.467 -0.914 4.219
323 1HB TYR 40 2HB TYR 40 -4.597 -2.675 3.516
324 2HB TYR 40 1HB TYR 40 -3.879 -1.249 2.774
325 HD1 TYR 40 1HD TYR 40 -3.571 0.819 4.296
326 HD2 TYR 40 2HD TYR 40 -4.244 -3.113 5.775
327 HE1 TYR 40 1HE TYR 40 -2.626 1.480 6.468
328 HE2 TYR 40 2HE TYR 40 -3.302 -2.461 7.952
329 HH TYR 40 HH TYR 40 -3.069 0.292 9.108
330 H THR 41 H THR 41 -7.035 1.152 3.984
331 HA THR 41 HA THR 41 -5.916 2.658 1.709
332 HB THR 41 HB THR 41 -8.377 3.503 3.217
333 HG1 THR 41 1HG THR 41 -8.930 2.354 0.831
334 1HG2 THR 41 1HG2 THR 41 -7.618 5.257 1.881
335 2HG2 THR 41 2HG2 THR 41 -8.820 4.469 0.860
336 3HG2 THR 41 3HG2 THR 41 -7.104 4.176 0.586
337 H ILE 42 H ILE 42 -5.040 4.680 2.058
338 HA ILE 42 HA ILE 42 -4.421 5.303 4.866
339 HB ILE 42 HB ILE 42 -2.983 6.291 2.400
340 1HG1 ILE 42 2HG1 ILE 42 -2.773 3.847 2.618
341 2HG1 ILE 42 1HG1 ILE 42 -1.241 4.655 2.933
342 1HG2 ILE 42 1HG2 ILE 42 -1.205 6.871 4.022
343 2HG2 ILE 42 2HG2 ILE 42 -2.291 6.406 5.332
344 3HG2 ILE 42 3HG2 ILE 42 -2.704 7.764 4.284
345 1HD1 ILE 42 1HD1 ILE 42 -3.114 3.728 5.094
346 2HD1 ILE 42 2HD1 ILE 42 -1.460 4.309 5.278
347 3HD1 ILE 42 3HD1 ILE 42 -1.769 2.773 4.471
348 H LYS 43 H LYS 43 -5.282 7.055 5.764
349 HA LYS 43 HA LYS 43 -6.356 9.154 3.996
350 1HB LYS 43 2HB LYS 43 -8.059 7.755 5.234
351 2HB LYS 43 1HB LYS 43 -7.424 8.433 6.726
352 1HG LYS 43 2HG LYS 43 -9.250 9.774 6.288
353 2HG LYS 43 1HG LYS 43 -7.912 10.715 5.627
354 1HD LYS 43 2HD LYS 43 -9.277 10.844 3.825
355 2HD LYS 43 1HD LYS 43 -8.563 9.272 3.457
356 1HE LYS 43 2HE LYS 43 -11.034 9.305 3.260
357 2HE LYS 43 1HE LYS 43 -10.439 8.133 4.435
358 1HZ LYS 43 1HZ LYS 43 -12.397 9.831 4.956
359 2HZ LYS 43 2HZ LYS 43 -11.090 10.779 5.458
360 3HZ LYS 43 3HZ LYS 43 -11.345 9.257 6.151
361 H GLY 44 H GLY 44 -6.273 11.323 4.773
362 1HA GLY 44 2HA GLY 44 -5.586 12.738 6.737
363 2HA GLY 44 1HA GLY 44 -4.141 11.738 6.775
364 H LEU 45 H LEU 45 -5.262 12.349 3.635
365 HA LEU 45 HA LEU 45 -3.120 14.318 3.258
366 1HB LEU 45 2HB LEU 45 -4.410 13.034 0.917
367 2HB LEU 45 1HB LEU 45 -2.734 13.468 1.182
368 HG LEU 45 HG LEU 45 -4.161 11.051 2.282
369 1HD1 LEU 45 1HD1 LEU 45 -3.167 9.843 0.673
370 2HD1 LEU 45 2HD1 LEU 45 -1.699 10.821 0.702
371 3HD1 LEU 45 3HD1 LEU 45 -3.119 11.390 -0.174
372 1HD2 LEU 45 1HD2 LEU 45 -1.480 10.714 2.774
373 2HD2 LEU 45 2HD2 LEU 45 -2.700 11.153 3.971
374 3HD2 LEU 45 3HD2 LEU 45 -1.746 12.410 3.183
375 H LYS 46 H LYS 46 -3.908 15.385 0.808
376 HA LYS 46 HA LYS 46 -6.599 16.374 0.970
377 1HB LYS 46 2HB LYS 46 -6.228 18.584 1.596
378 2HB LYS 46 1HB LYS 46 -5.212 17.675 2.705
379 1HG LYS 46 2HG LYS 46 -3.535 18.157 0.583
380 2HG LYS 46 1HG LYS 46 -4.495 19.631 0.690
381 1HD LYS 46 2HD LYS 46 -2.511 19.853 2.058
382 2HD LYS 46 1HD LYS 46 -3.936 19.782 3.095
383 1HE LYS 46 2HE LYS 46 -3.083 17.128 2.728
384 2HE LYS 46 1HE LYS 46 -1.631 18.075 3.051
385 1HZ LYS 46 1HZ LYS 46 -2.302 18.563 5.143
386 2HZ LYS 46 2HZ LYS 46 -3.123 17.095 4.976
387 3HZ LYS 46 3HZ LYS 46 -3.950 18.554 4.759
388 HA PRO 47 HA PRO 47 -6.014 16.991 -3.352
389 1HB PRO 47 2HB PRO 47 -7.481 19.261 -3.814
390 2HB PRO 47 1HB PRO 47 -8.188 17.657 -3.597
391 1HG PRO 47 2HG PRO 47 -7.895 19.884 -1.621
392 2HG PRO 47 1HG PRO 47 -9.270 18.796 -1.889
393 1HD PRO 47 2HD PRO 47 -7.554 18.435 0.151
394 2HD PRO 47 1HD PRO 47 -8.296 17.066 -0.702
395 H GLY 48 H GLY 48 -3.914 17.497 -3.739
396 1HA GLY 48 2HA GLY 48 -2.826 19.494 -4.901
397 2HA GLY 48 1HA GLY 48 -3.084 20.301 -3.359
398 H VAL 49 H VAL 49 -2.540 17.457 -2.203
399 HA VAL 49 HA VAL 49 0.398 17.705 -2.258
400 HB VAL 49 HB VAL 49 -1.215 16.539 0.007
401 1HG1 VAL 49 1HG1 VAL 49 1.656 17.092 -0.499
402 2HG1 VAL 49 2HG1 VAL 49 0.892 15.753 0.360
403 3HG1 VAL 49 3HG1 VAL 49 1.047 17.328 1.140
404 1HG2 VAL 49 1HG2 VAL 49 -1.798 18.584 0.629
405 2HG2 VAL 49 2HG2 VAL 49 -0.930 19.285 -0.737
406 3HG2 VAL 49 3HG2 VAL 49 -0.090 18.995 0.786
407 H VAL 50 H VAL 50 1.472 16.023 -3.055
408 HA VAL 50 HA VAL 50 0.053 13.455 -3.289
409 HB VAL 50 HB VAL 50 2.312 14.561 -4.964
410 1HG1 VAL 50 1HG1 VAL 50 1.413 12.375 -6.297
411 2HG1 VAL 50 2HG1 VAL 50 1.278 11.834 -4.624
412 3HG1 VAL 50 3HG1 VAL 50 2.830 12.393 -5.248
413 1HG2 VAL 50 1HG2 VAL 50 0.137 13.867 -6.561
414 2HG2 VAL 50 2HG2 VAL 50 0.665 15.494 -6.132
415 3HG2 VAL 50 3HG2 VAL 50 -0.564 14.682 -5.162
416 H TYR 51 H TYR 51 0.871 11.674 -2.368
417 HA TYR 51 HA TYR 51 3.452 11.939 -0.977
418 1HB TYR 51 2HB TYR 51 1.077 10.169 -0.364
419 2HB TYR 51 1HB TYR 51 2.608 10.117 0.504
420 HD1 TYR 51 1HD TYR 51 3.005 11.570 2.304
421 HD2 TYR 51 2HD TYR 51 -0.246 12.347 -0.327
422 HE1 TYR 51 1HE TYR 51 2.200 13.326 3.826
423 HE2 TYR 51 2HE TYR 51 -1.061 14.103 1.188
424 HH TYR 51 HH TYR 51 0.568 14.775 4.268
425 H GLU 52 H GLU 52 5.095 10.710 -1.611
426 HA GLU 52 HA GLU 52 4.633 8.705 -3.670
427 1HB GLU 52 2HB GLU 52 6.678 9.259 -4.402
428 2HB GLU 52 1HB GLU 52 6.662 10.547 -3.210
429 1HG GLU 52 2HG GLU 52 8.502 9.647 -2.379
430 2HG GLU 52 1HG GLU 52 7.496 8.331 -1.779
431 H GLY 53 H GLY 53 4.705 6.541 -3.342
432 1HA GLY 53 2HA GLY 53 5.815 5.586 -0.794
433 2HA GLY 53 1HA GLY 53 4.169 5.164 -1.223
434 H GLN 54 H GLN 54 6.095 3.297 -0.661
435 HA GLN 54 HA GLN 54 6.309 1.888 -3.216
436 1HB GLN 54 2HB GLN 54 8.547 2.276 -3.074
437 2HB GLN 54 1HB GLN 54 8.481 2.619 -1.353
438 1HG GLN 54 2HG GLN 54 8.061 0.015 -1.211
439 2HG GLN 54 1HG GLN 54 8.900 0.046 -2.763
440 1HE2 GLN 54 1HE2 GLN 54 9.278 1.813 0.293
441 2HE2 GLN 54 2HE2 GLN 54 10.956 1.452 0.494
442 H LEU 55 H LEU 55 6.224 -0.443 -3.006
443 HA LEU 55 HA LEU 55 5.255 -1.337 -0.369
444 1HB LEU 55 2HB LEU 55 3.913 -1.382 -2.912
445 2HB LEU 55 1HB LEU 55 4.140 -3.020 -2.332
446 HG LEU 55 HG LEU 55 2.692 -0.782 -0.919
447 1HD1 LEU 55 1HD1 LEU 55 1.693 -2.268 -2.854
448 2HD1 LEU 55 2HD1 LEU 55 0.741 -1.847 -1.431
449 3HD1 LEU 55 3HD1 LEU 55 1.505 -3.432 -1.543
450 1HD2 LEU 55 1HD2 LEU 55 2.169 -2.924 0.593
451 2HD2 LEU 55 2HD2 LEU 55 3.499 -1.811 0.924
452 3HD2 LEU 55 3HD2 LEU 55 3.807 -3.331 0.081
453 H ILE 56 H ILE 56 6.846 -2.556 0.446
454 HA ILE 56 HA ILE 56 8.349 -4.344 -1.316
455 HB ILE 56 HB ILE 56 8.791 -3.539 1.562
456 1HG1 ILE 56 2HG1 ILE 56 10.591 -3.216 -0.840
457 2HG1 ILE 56 1HG1 ILE 56 9.446 -1.994 -0.323
458 1HG2 ILE 56 1HG2 ILE 56 11.029 -4.912 0.713
459 2HG2 ILE 56 2HG2 ILE 56 9.685 -5.903 0.147
460 3HG2 ILE 56 3HG2 ILE 56 9.820 -5.492 1.857
461 1HD1 ILE 56 1HD1 ILE 56 10.768 -1.284 1.325
462 2HD1 ILE 56 2HD1 ILE 56 12.039 -2.150 0.464
463 3HD1 ILE 56 3HD1 ILE 56 11.198 -2.925 1.808
464 H SER 57 H SER 57 8.250 -6.539 -1.196
465 HA SER 57 HA SER 57 6.293 -7.653 0.696
466 1HB SER 57 2HB SER 57 5.156 -8.481 -1.033
467 2HB SER 57 1HB SER 57 6.292 -7.704 -2.135
468 HG SER 57 HG SER 57 5.942 -10.237 -1.895
469 H ILE 58 H ILE 58 7.125 -8.948 2.112
470 HA ILE 58 HA ILE 58 9.575 -10.447 1.458
471 HB ILE 58 HB ILE 58 8.624 -9.632 4.207
472 1HG1 ILE 58 2HG1 ILE 58 11.031 -8.521 2.782
473 2HG1 ILE 58 1HG1 ILE 58 9.441 -7.796 2.570
474 1HG2 ILE 58 1HG2 ILE 58 11.056 -10.251 4.741
475 2HG2 ILE 58 2HG2 ILE 58 11.037 -11.101 3.195
476 3HG2 ILE 58 3HG2 ILE 58 9.910 -11.565 4.471
477 1HD1 ILE 58 1HD1 ILE 58 10.055 -8.193 5.362
478 2HD1 ILE 58 2HD1 ILE 58 9.593 -6.724 4.502
479 3HD1 ILE 58 3HD1 ILE 58 11.284 -7.223 4.550
480 H GLN 59 H GLN 59 9.404 -12.587 1.378
481 HA GLN 59 HA GLN 59 7.013 -13.831 2.550
482 1HB GLN 59 2HB GLN 59 7.989 -15.760 0.925
483 2HB GLN 59 1HB GLN 59 6.816 -14.553 0.421
484 1HG GLN 59 2HG GLN 59 8.777 -13.144 -0.324
485 2HG GLN 59 1HG GLN 59 9.775 -14.576 -0.067
486 1HE2 GLN 59 1HE2 GLN 59 8.206 -16.581 -0.958
487 2HE2 GLN 59 2HE2 GLN 59 7.892 -16.397 -2.646
488 H GLN 60 H GLN 60 7.430 -16.251 3.082
489 HA GLN 60 HA GLN 60 9.256 -16.323 5.234
490 1HB GLN 60 2HB GLN 60 8.699 -18.829 5.190
491 2HB GLN 60 1HB GLN 60 7.380 -17.701 5.477
492 1HG GLN 60 2HG GLN 60 7.118 -17.873 2.863
493 2HG GLN 60 1HG GLN 60 7.936 -19.414 3.117
494 1HE2 GLN 60 1HE2 GLN 60 6.973 -20.495 5.253
495 2HE2 GLN 60 2HE2 GLN 60 5.254 -20.665 5.213
496 H TYR 61 H TYR 61 9.651 -16.931 1.893
497 HA TYR 61 HA TYR 61 12.115 -18.456 2.360
498 1HB TYR 61 2HB TYR 61 10.715 -17.931 -0.268
499 2HB TYR 61 1HB TYR 61 12.035 -19.058 0.019
500 HD1 TYR 61 1HD TYR 61 11.547 -20.919 1.808
501 HD2 TYR 61 2HD TYR 61 8.540 -18.727 -0.254
502 HE1 TYR 61 1HE TYR 61 9.924 -22.703 2.289
503 HE2 TYR 61 2HE TYR 61 6.909 -20.505 0.221
504 HH TYR 61 HH TYR 61 7.812 -23.367 2.122
505 H GLY 62 H GLY 62 11.401 -15.378 2.407
506 1HA GLY 62 2HA GLY 62 13.060 -13.683 2.394
507 2HA GLY 62 1HA GLY 62 13.957 -14.607 1.202
508 H HIS 63 H HIS 63 13.920 -13.857 -0.804
509 HA HIS 63 HA HIS 63 13.388 -12.605 -2.628
510 1HB HIS 63 2HB HIS 63 11.070 -14.067 -1.904
511 2HB HIS 63 1HB HIS 63 10.537 -12.459 -2.387
512 HD2 HIS 63 2HD HIS 63 9.540 -13.132 -4.829
513 HE1 HIS 63 1HE HIS 63 13.141 -14.743 -6.363
514 HE2 HIS 63 2HE HIS 63 10.816 -13.915 -6.946
515 H GLN 64 H GLN 64 11.640 -10.724 -3.297
516 HA GLN 64 HA GLN 64 10.911 -8.892 -1.283
517 1HB GLN 64 2HB GLN 64 13.678 -8.790 -2.157
518 2HB GLN 64 1HB GLN 64 12.844 -7.272 -2.463
519 1HG GLN 64 2HG GLN 64 12.140 -8.143 0.139
520 2HG GLN 64 1HG GLN 64 13.892 -8.268 -0.026
521 1HE2 GLN 64 1HE2 GLN 64 13.210 -6.537 1.760
522 2HE2 GLN 64 2HE2 GLN 64 13.308 -4.906 1.201
523 H GLU 65 H GLU 65 9.062 -8.520 -2.388
524 HA GLU 65 HA GLU 65 9.212 -7.642 -5.177
525 1HB GLU 65 2HB GLU 65 7.462 -9.323 -3.925
526 2HB GLU 65 1HB GLU 65 6.582 -7.805 -3.852
527 1HG GLU 65 2HG GLU 65 6.755 -7.573 -6.272
528 2HG GLU 65 1HG GLU 65 7.659 -9.085 -6.355
529 H VAL 66 H VAL 66 9.402 -5.540 -5.543
530 HA VAL 66 HA VAL 66 8.025 -3.698 -3.715
531 HB VAL 66 HB VAL 66 10.214 -3.473 -3.016
532 1HG1 VAL 66 1HG1 VAL 66 11.223 -3.384 -5.843
533 2HG1 VAL 66 2HG1 VAL 66 11.102 -4.871 -4.900
534 3HG1 VAL 66 3HG1 VAL 66 12.155 -3.565 -4.356
535 1HG2 VAL 66 1HG2 VAL 66 9.064 -1.360 -4.444
536 2HG2 VAL 66 2HG2 VAL 66 10.764 -1.372 -4.911
537 3HG2 VAL 66 3HG2 VAL 66 10.318 -1.255 -3.208
538 H THR 67 H THR 67 6.839 -2.179 -4.608
539 HA THR 67 HA THR 67 7.308 -1.377 -7.387
540 HB THR 67 HB THR 67 4.626 -2.221 -6.268
541 HG1 THR 67 1HG THR 67 5.257 -4.051 -7.124
542 1HG2 THR 67 1HG2 THR 67 4.340 -0.248 -7.649
543 2HG2 THR 67 2HG2 THR 67 3.750 -1.668 -8.513
544 3HG2 THR 67 3HG2 THR 67 5.316 -0.969 -8.929
545 H ARG 68 H ARG 68 7.363 0.784 -7.545
546 HA ARG 68 HA ARG 68 6.587 2.391 -5.268
547 1HB ARG 68 2HB ARG 68 7.541 3.547 -7.865
548 2HB ARG 68 1HB ARG 68 7.810 4.128 -6.228
549 1HG ARG 68 2HG ARG 68 8.996 1.569 -6.415
550 2HG ARG 68 1HG ARG 68 9.480 2.486 -7.842
551 1HD ARG 68 2HD ARG 68 10.639 4.029 -6.628
552 2HD ARG 68 1HD ARG 68 9.586 3.875 -5.223
553 HE ARG 68 HE ARG 68 10.917 2.165 -4.435
554 1HH1 ARG 68 1HH1 ARG 68 11.841 2.983 -7.694
555 2HH1 ARG 68 2HH1 ARG 68 13.301 2.053 -7.650
556 1HH2 ARG 68 1HH2 ARG 68 12.836 0.938 -4.370
557 2HH2 ARG 68 2HH2 ARG 68 13.868 0.892 -5.760
558 H PHE 69 H PHE 69 5.037 4.041 -5.274
559 HA PHE 69 HA PHE 69 3.349 4.459 -7.576
560 1HB PHE 69 2HB PHE 69 1.279 3.905 -6.110
561 2HB PHE 69 1HB PHE 69 2.144 2.591 -6.896
562 HD1 PHE 69 1HD PHE 69 2.109 0.714 -5.594
563 HD2 PHE 69 2HD PHE 69 2.691 4.487 -3.711
564 HE1 PHE 69 1HE PHE 69 2.372 -0.410 -3.424
565 HE2 PHE 69 2HE PHE 69 2.965 3.367 -1.532
566 HZ PHE 69 HZ PHE 69 2.801 0.913 -1.393
567 H ASP 70 H ASP 70 1.840 6.174 -7.315
568 HA ASP 70 HA ASP 70 2.445 7.958 -5.046
569 1HB ASP 70 2HB ASP 70 1.930 8.568 -7.954
570 2HB ASP 70 1HB ASP 70 1.702 9.792 -6.709
571 H PHE 71 H PHE 71 0.707 8.661 -3.852
572 HA PHE 71 HA PHE 71 -1.959 8.393 -5.001
573 1HB PHE 71 2HB PHE 71 -2.800 6.906 -3.377
574 2HB PHE 71 1HB PHE 71 -1.260 6.213 -3.883
575 HD1 PHE 71 1HD PHE 71 0.613 6.113 -2.379
576 HD2 PHE 71 2HD PHE 71 -3.058 7.892 -1.161
577 HE1 PHE 71 1HE PHE 71 1.366 6.055 -0.036
578 HE2 PHE 71 2HE PHE 71 -2.313 7.842 1.181
579 HZ PHE 71 HZ PHE 71 -0.099 6.919 1.747
580 H THR 72 H THR 72 -3.592 9.493 -3.957
581 HA THR 72 HA THR 72 -3.011 11.111 -1.625
582 HB THR 72 HB THR 72 -3.158 13.178 -2.536
583 HG1 THR 72 1HG THR 72 -5.210 13.190 -3.274
584 1HG2 THR 72 1HG2 THR 72 -2.023 13.410 -4.595
585 2HG2 THR 72 2HG2 THR 72 -2.598 11.847 -5.177
586 3HG2 THR 72 3HG2 THR 72 -1.404 11.920 -3.880
587 H THR 73 H THR 73 -5.077 12.262 -0.916
588 HA THR 73 HA THR 73 -7.166 10.367 -0.773
589 HB THR 73 HB THR 73 -7.061 11.767 1.080
590 HG1 THR 73 1HG THR 73 -9.048 13.241 0.661
591 1HG2 THR 73 1HG2 THR 73 -6.685 13.939 -0.929
592 2HG2 THR 73 2HG2 THR 73 -5.761 13.581 0.529
593 3HG2 THR 73 3HG2 THR 73 -7.347 14.344 0.655
594 H THR 74 H THR 74 -6.772 13.313 -2.711
595 HA THR 74 HA THR 74 -9.031 12.414 -4.358
596 HB THR 74 HB THR 74 -10.306 14.084 -3.600
597 HG1 THR 74 1HG THR 74 -9.862 15.151 -5.467
598 1HG2 THR 74 1HG2 THR 74 -8.778 14.326 -1.644
599 2HG2 THR 74 2HG2 THR 74 -9.572 15.829 -2.115
600 3HG2 THR 74 3HG2 THR 74 -7.885 15.549 -2.547
601 H SER 75 H SER 75 -6.207 14.538 -4.102
602 HA SER 75 HA SER 75 -6.116 15.052 -6.931
603 1HB SER 75 2HB SER 75 -5.255 16.591 -5.071
604 2HB SER 75 1HB SER 75 -3.864 15.511 -4.975
605 HG SER 75 HG SER 75 -4.205 17.506 -6.635
606 H THR 76 H THR 76 -6.116 12.261 -6.254
607 HA THR 76 HA THR 76 -3.568 11.089 -6.337
608 HB THR 76 HB THR 76 -5.786 9.656 -7.690
609 HG1 THR 76 1HG THR 76 -6.093 9.536 -4.992
610 1HG2 THR 76 1HG2 THR 76 -3.370 8.973 -6.544
611 2HG2 THR 76 2HG2 THR 76 -4.666 7.856 -6.971
612 3HG2 THR 76 3HG2 THR 76 -4.550 8.485 -5.328
613 H SER 77 H SER 77 -2.554 9.934 -8.090
614 HA SER 77 HA SER 77 -3.248 10.850 -10.784
615 1HB SER 77 2HB SER 77 -0.363 10.857 -9.964
616 2HB SER 77 1HB SER 77 -1.154 11.744 -11.266
617 HG SER 77 HG SER 77 -1.335 13.332 -9.921
618 H THR 78 H THR 78 -3.920 8.416 -10.058
619 HA THR 78 HA THR 78 -2.237 6.732 -11.680
620 HB THR 78 HB THR 78 -2.796 5.484 -9.048
621 HG1 THR 78 1HG THR 78 -1.821 7.129 -8.085
622 1HG2 THR 78 1HG2 THR 78 -0.551 5.409 -11.057
623 2HG2 THR 78 2HG2 THR 78 -1.725 4.143 -10.695
624 3HG2 THR 78 3HG2 THR 78 -0.490 4.565 -9.510
625 HA PRO 79 HA PRO 79 -6.793 6.141 -12.346
626 1HB PRO 79 2HB PRO 79 -5.404 4.657 -14.545
627 2HB PRO 79 1HB PRO 79 -6.878 5.632 -14.608
628 1HG PRO 79 2HG PRO 79 -4.573 6.632 -15.467
629 2HG PRO 79 1HG PRO 79 -5.709 7.639 -14.550
630 1HD PRO 79 2HD PRO 79 -3.125 6.445 -13.696
631 2HD PRO 79 1HD PRO 79 -3.916 7.937 -13.153
632 H GLY 80 H GLY 80 -4.722 3.453 -13.439
633 1HA GLY 80 2HA GLY 80 -5.022 1.738 -11.290
634 2HA GLY 80 1HA GLY 80 -6.452 1.507 -12.283
635 H SER 81 H SER 81 -5.250 1.855 -14.824
636 HA SER 81 HA SER 81 -4.280 -0.763 -15.267
637 1HB SER 81 2HB SER 81 -3.557 0.915 -17.459
638 2HB SER 81 1HB SER 81 -4.885 -0.240 -17.356
639 HG SER 81 HG SER 81 -5.342 2.124 -17.755
640 H ARG 82 H ARG 82 -2.484 -1.008 -13.900
641 HA ARG 82 HA ARG 82 0.016 -0.490 -15.108
642 1HB ARG 82 2HB ARG 82 -0.956 1.603 -13.453
643 2HB ARG 82 1HB ARG 82 0.351 0.813 -12.582
644 1HG ARG 82 2HG ARG 82 1.689 1.049 -14.750
645 2HG ARG 82 1HG ARG 82 0.435 2.189 -15.240
646 1HD ARG 82 2HD ARG 82 2.691 2.650 -13.587
647 2HD ARG 82 1HD ARG 82 1.439 3.790 -14.076
648 HE ARG 82 HE ARG 82 0.187 3.034 -12.076
649 1HH1 ARG 82 1HH1 ARG 82 3.638 2.567 -12.222
650 2HH1 ARG 82 2HH1 ARG 82 3.834 2.532 -10.502
651 1HH2 ARG 82 1HH2 ARG 82 0.437 2.988 -9.813
652 2HH2 ARG 82 2HH2 ARG 82 2.015 2.772 -9.133
653 H SER 83 H SER 83 -1.655 -1.127 -12.052
654 HA SER 83 HA SER 83 0.260 -3.310 -11.553
655 1HB SER 83 2HB SER 83 0.039 -2.918 -9.160
656 2HB SER 83 1HB SER 83 0.552 -1.430 -9.956
657 HG SER 83 HG SER 83 -1.249 -0.511 -9.372
658 H HIS 84 H HIS 84 -2.875 -2.544 -12.287
659 HA HIS 84 HA HIS 84 -4.203 -4.537 -10.686
660 1HB HIS 84 2HB HIS 84 -5.034 -2.301 -12.087
661 2HB HIS 84 1HB HIS 84 -5.639 -3.633 -13.065
662 HD2 HIS 84 2HD HIS 84 -7.586 -1.641 -11.228
663 HE1 HIS 84 1HE HIS 84 -8.160 -5.215 -9.037
664 HE2 HIS 84 2HE HIS 84 -9.162 -2.970 -9.654
665 H HIS 85 H HIS 85 -4.689 -4.327 -14.165
666 HA HIS 85 HA HIS 85 -3.745 -7.105 -14.422
667 1HB HIS 85 2HB HIS 85 -5.792 -6.665 -16.340
668 2HB HIS 85 1HB HIS 85 -5.798 -7.784 -14.982
669 HD2 HIS 85 2HD HIS 85 -7.350 -7.065 -12.833
670 HE1 HIS 85 1HE HIS 85 -8.788 -3.476 -14.553
671 HE2 HIS 85 2HE HIS 85 -9.153 -5.203 -12.734
672 H HIS 86 H HIS 86 -3.396 -7.724 -16.756
673 HA HIS 86 HA HIS 86 -1.946 -5.548 -18.072
674 1HB HIS 86 2HB HIS 86 -1.801 -8.403 -18.968
675 2HB HIS 86 1HB HIS 86 -0.568 -7.149 -19.041
676 HD2 HIS 86 2HD HIS 86 -0.555 -10.263 -17.466
677 HE1 HIS 86 1HE HIS 86 0.459 -7.710 -14.245
678 HE2 HIS 86 2HE HIS 86 0.584 -10.078 -15.142
679 H HIS 87 H HIS 87 -4.351 -4.901 -18.545
680 HA HIS 87 HA HIS 87 -4.971 -5.915 -21.237
681 1HB HIS 87 2HB HIS 87 -6.908 -5.318 -18.997
682 2HB HIS 87 1HB HIS 87 -7.404 -5.486 -20.678
683 HD2 HIS 87 2HD HIS 87 -6.032 -7.685 -17.753
684 HE1 HIS 87 1HE HIS 87 -7.523 -10.185 -20.825
685 HE2 HIS 87 2HE HIS 87 -6.762 -10.086 -18.409
686 H HIS 88 H HIS 88 -3.353 -3.765 -20.916
687 HA HIS 88 HA HIS 88 -4.804 -1.718 -22.273
688 1HB HIS 88 2HB HIS 88 -4.734 -1.530 -19.452
689 2HB HIS 88 1HB HIS 88 -3.611 -0.320 -20.065
690 HD2 HIS 88 2HD HIS 88 -7.294 -0.753 -19.432
691 HE1 HIS 88 1HE HIS 88 -6.898 2.470 -22.147
692 HE2 HIS 88 2HE HIS 88 -8.521 1.116 -20.748
693 H HIS 89 H HIS 89 -2.972 -2.710 -23.571
694 HA HIS 89 HA HIS 89 -0.954 -2.512 -24.597
695 1HB HIS 89 2HB HIS 89 -1.844 0.064 -24.082
696 2HB HIS 89 1HB HIS 89 -0.189 0.073 -23.480
697 HD2 HIS 89 2HD HIS 89 0.804 1.580 -25.550
698 HE1 HIS 89 1HE HIS 89 -0.126 -1.224 -28.582
699 HE2 HIS 89 2HE HIS 89 1.231 0.838 -27.999
Start of MODEL 16
1 1H MET 1 1HT MET 1 9.402 -13.072 11.969
2 2H MET 1 2HT MET 1 8.934 -12.400 13.449
3 3H MET 1 3HT MET 1 7.762 -12.831 12.310
4 HA MET 1 HA MET 1 9.582 -14.912 13.253
5 1HB MET 1 2HB MET 1 7.296 -13.736 14.842
6 2HB MET 1 1HB MET 1 8.006 -15.309 15.180
7 1HG MET 1 2HG MET 1 9.436 -14.280 16.513
8 2HG MET 1 1HG MET 1 10.170 -13.576 15.074
9 1HE MET 1 1HE MET 1 8.868 -12.264 18.569
10 2HE MET 1 2HE MET 1 9.894 -10.943 18.008
11 3HE MET 1 3HE MET 1 10.422 -12.614 17.811
12 H ARG 2 H ARG 2 6.093 -14.164 13.163
13 HA ARG 2 HA ARG 2 5.646 -16.013 11.005
14 1HB ARG 2 2HB ARG 2 5.793 -17.308 13.292
15 2HB ARG 2 1HB ARG 2 4.161 -16.694 13.511
16 1HG ARG 2 2HG ARG 2 4.417 -17.814 10.890
17 2HG ARG 2 1HG ARG 2 4.972 -18.976 12.095
18 1HD ARG 2 2HD ARG 2 2.746 -18.140 13.312
19 2HD ARG 2 1HD ARG 2 2.273 -17.845 11.640
20 HE ARG 2 HE ARG 2 3.267 -20.386 11.627
21 1HH1 ARG 2 1HH1 ARG 2 0.781 -18.728 13.422
22 2HH1 ARG 2 2HH1 ARG 2 -0.191 -20.144 13.633
23 1HH2 ARG 2 1HH2 ARG 2 1.991 -22.255 11.900
24 2HH2 ARG 2 2HH2 ARG 2 0.496 -22.150 12.768
25 H GLY 3 H GLY 3 5.095 -13.185 12.135
26 1HA GLY 3 2HA GLY 3 3.488 -11.633 11.503
27 2HA GLY 3 1HA GLY 3 2.491 -12.952 10.909
28 H SER 4 H SER 4 0.753 -11.684 11.901
29 HA SER 4 HA SER 4 0.313 -12.576 14.641
30 1HB SER 4 2HB SER 4 -0.526 -10.308 15.293
31 2HB SER 4 1HB SER 4 1.211 -10.361 14.992
32 HG SER 4 HG SER 4 0.358 -8.575 13.951
33 H ASN 5 H ASN 5 -1.991 -12.164 15.320
34 HA ASN 5 HA ASN 5 -4.216 -12.493 14.999
35 1HB ASN 5 2HB ASN 5 -3.554 -10.903 12.526
36 2HB ASN 5 1HB ASN 5 -5.192 -11.453 12.865
37 1HD2 ASN 5 1HD2 ASN 5 -5.866 -10.962 15.218
38 2HD2 ASN 5 2HD2 ASN 5 -5.541 -9.352 15.753
39 H ALA 6 H ALA 6 -2.048 -14.293 13.732
40 HA ALA 6 HA ALA 6 -1.926 -16.213 12.520
41 1HB ALA 6 1HB ALA 6 -4.232 -17.454 12.434
42 2HB ALA 6 2HB ALA 6 -4.717 -16.186 13.561
43 3HB ALA 6 3HB ALA 6 -3.373 -17.256 13.961
44 HA PRO 7 HA PRO 7 -3.364 -14.162 8.618
45 1HB PRO 7 2HB PRO 7 -0.749 -15.130 7.672
46 2HB PRO 7 1HB PRO 7 -1.433 -13.505 7.605
47 1HG PRO 7 2HG PRO 7 0.579 -14.111 9.271
48 2HG PRO 7 1HG PRO 7 -0.692 -12.960 9.725
49 1HD PRO 7 2HD PRO 7 -0.366 -15.834 10.513
50 2HD PRO 7 1HD PRO 7 -0.854 -14.442 11.505
51 H GLN 8 H GLN 8 -3.972 -15.115 6.643
52 HA GLN 8 HA GLN 8 -4.540 -17.905 6.780
53 1HB GLN 8 2HB GLN 8 -4.876 -15.902 4.545
54 2HB GLN 8 1HB GLN 8 -5.457 -17.560 4.474
55 1HG GLN 8 2HG GLN 8 -7.337 -16.383 5.098
56 2HG GLN 8 1HG GLN 8 -6.721 -16.973 6.641
57 1HE2 GLN 8 1HE2 GLN 8 -5.525 -14.293 4.690
58 2HE2 GLN 8 2HE2 GLN 8 -5.838 -13.062 5.861
59 HA PRO 9 HA PRO 9 -0.546 -19.069 5.034
60 1HB PRO 9 2HB PRO 9 -1.565 -21.803 5.315
61 2HB PRO 9 1HB PRO 9 -0.164 -21.049 6.078
62 1HG PRO 9 2HG PRO 9 -2.391 -21.689 7.462
63 2HG PRO 9 1HG PRO 9 -1.384 -20.289 7.875
64 1HD PRO 9 2HD PRO 9 -3.982 -20.387 6.391
65 2HD PRO 9 1HD PRO 9 -3.420 -19.218 7.604
66 H SER 10 H SER 10 -1.255 -18.230 2.946
67 HA SER 10 HA SER 10 -1.355 -20.236 0.954
68 1HB SER 10 2HB SER 10 -3.801 -20.023 1.920
69 2HB SER 10 1HB SER 10 -3.856 -18.594 0.888
70 HG SER 10 HG SER 10 -4.322 -19.985 -0.617
71 H HIS 11 H HIS 11 -1.532 -16.934 1.957
72 HA HIS 11 HA HIS 11 -0.879 -16.024 -0.759
73 1HB HIS 11 2HB HIS 11 -1.487 -14.143 1.491
74 2HB HIS 11 1HB HIS 11 -1.758 -13.938 -0.236
75 HD2 HIS 11 2HD HIS 11 -4.057 -15.255 -1.248
76 HE1 HIS 11 1HE HIS 11 -5.743 -15.789 2.598
77 HE2 HIS 11 2HE HIS 11 -6.134 -16.022 0.103
78 H ILE 12 H ILE 12 0.314 -13.581 -0.003
79 HA ILE 12 HA ILE 12 3.000 -14.401 0.340
80 HB ILE 12 HB ILE 12 2.477 -12.397 -0.927
81 1HG1 ILE 12 2HG1 ILE 12 3.861 -10.814 0.929
82 2HG1 ILE 12 1HG1 ILE 12 4.354 -12.469 1.280
83 1HG2 ILE 12 1HG2 ILE 12 1.364 -10.551 -0.131
84 2HG2 ILE 12 2HG2 ILE 12 1.793 -10.882 1.548
85 3HG2 ILE 12 3HG2 ILE 12 0.544 -11.841 0.750
86 1HD1 ILE 12 1HD1 ILE 12 5.731 -11.129 -0.399
87 2HD1 ILE 12 2HD1 ILE 12 4.393 -11.403 -1.514
88 3HD1 ILE 12 3HD1 ILE 12 5.268 -12.775 -0.835
89 H SER 13 H SER 13 4.432 -14.026 2.063
90 HA SER 13 HA SER 13 3.498 -14.571 4.625
91 1HB SER 13 2HB SER 13 5.993 -14.312 3.419
92 2HB SER 13 1HB SER 13 5.987 -13.054 4.655
93 HG SER 13 HG SER 13 6.580 -14.740 5.821
94 H LYS 14 H LYS 14 4.551 -11.460 3.242
95 HA LYS 14 HA LYS 14 2.577 -9.989 4.637
96 1HB LYS 14 2HB LYS 14 4.192 -8.655 6.061
97 2HB LYS 14 1HB LYS 14 3.842 -10.286 6.616
98 1HG LYS 14 2HG LYS 14 5.952 -11.072 5.712
99 2HG LYS 14 1HG LYS 14 6.297 -9.463 5.075
100 1HD LYS 14 2HD LYS 14 5.852 -8.829 7.640
101 2HD LYS 14 1HD LYS 14 6.429 -10.483 7.853
102 1HE LYS 14 2HE LYS 14 8.471 -9.966 6.674
103 2HE LYS 14 1HE LYS 14 7.883 -8.348 6.296
104 1HZ LYS 14 1HZ LYS 14 9.011 -9.379 8.760
105 2HZ LYS 14 2HZ LYS 14 7.676 -8.357 8.953
106 3HZ LYS 14 3HZ LYS 14 9.046 -7.811 8.125
107 H TYR 15 H TYR 15 2.413 -7.888 3.938
108 HA TYR 15 HA TYR 15 4.177 -7.139 1.711
109 1HB TYR 15 2HB TYR 15 1.330 -6.931 2.191
110 2HB TYR 15 1HB TYR 15 2.010 -5.343 1.862
111 HD1 TYR 15 1HD TYR 15 3.363 -5.045 -0.281
112 HD2 TYR 15 2HD TYR 15 0.894 -8.436 0.449
113 HE1 TYR 15 1HE TYR 15 3.323 -5.528 -2.690
114 HE2 TYR 15 2HE TYR 15 0.844 -8.925 -1.960
115 HH TYR 15 HH TYR 15 1.698 -8.406 -3.964
116 H ILE 16 H ILE 16 4.924 -4.924 1.570
117 HA ILE 16 HA ILE 16 5.074 -3.627 4.206
118 HB ILE 16 HB ILE 16 7.209 -4.433 2.557
119 1HG1 ILE 16 2HG1 ILE 16 7.174 -4.262 5.028
120 2HG1 ILE 16 1HG1 ILE 16 8.580 -3.466 4.329
121 1HG2 ILE 16 1HG2 ILE 16 6.730 -1.456 2.430
122 2HG2 ILE 16 2HG2 ILE 16 7.142 -2.569 1.125
123 3HG2 ILE 16 3HG2 ILE 16 8.356 -2.137 2.327
124 1HD1 ILE 16 1HD1 ILE 16 6.126 -2.206 5.515
125 2HD1 ILE 16 2HD1 ILE 16 7.267 -1.304 4.517
126 3HD1 ILE 16 3HD1 ILE 16 7.806 -2.040 6.026
127 H LEU 17 H LEU 17 4.944 -1.438 4.341
128 HA LEU 17 HA LEU 17 4.285 0.011 1.897
129 1HB LEU 17 2HB LEU 17 2.413 -0.667 3.885
130 2HB LEU 17 1HB LEU 17 2.778 1.032 4.132
131 HG LEU 17 HG LEU 17 2.376 0.630 1.342
132 1HD1 LEU 17 1HD1 LEU 17 0.278 -0.612 3.109
133 2HD1 LEU 17 2HD1 LEU 17 1.138 -1.351 1.757
134 3HD1 LEU 17 3HD1 LEU 17 -0.033 -0.066 1.461
135 1HD2 LEU 17 1HD2 LEU 17 2.029 2.717 2.554
136 2HD2 LEU 17 2HD2 LEU 17 0.688 1.991 3.441
137 3HD2 LEU 17 3HD2 LEU 17 0.564 2.235 1.700
138 H ARG 18 H ARG 18 5.901 1.358 1.754
139 HA ARG 18 HA ARG 18 6.709 2.855 4.148
140 1HB ARG 18 2HB ARG 18 8.386 1.692 1.928
141 2HB ARG 18 1HB ARG 18 8.959 3.062 2.871
142 1HG ARG 18 2HG ARG 18 9.573 1.737 4.537
143 2HG ARG 18 1HG ARG 18 7.997 0.940 4.566
144 1HD ARG 18 2HD ARG 18 9.531 -0.755 4.059
145 2HD ARG 18 1HD ARG 18 8.778 -0.350 2.523
146 HE ARG 18 HE ARG 18 10.885 1.139 2.290
147 1HH1 ARG 18 1HH1 ARG 18 10.746 -2.004 3.790
148 2HH1 ARG 18 2HH1 ARG 18 12.392 -2.395 3.420
149 1HH2 ARG 18 1HH2 ARG 18 13.054 0.633 1.801
150 2HH2 ARG 18 2HH2 ARG 18 13.704 -0.896 2.290
151 H TRP 19 H TRP 19 6.427 5.028 3.926
152 HA TRP 19 HA TRP 19 6.635 6.172 1.297
153 1HB TRP 19 2HB TRP 19 4.406 6.661 0.863
154 2HB TRP 19 1HB TRP 19 4.362 5.016 1.479
155 HD1 TRP 19 HD TRP 19 3.234 8.512 2.212
156 HE1 TRP 19 1HE TRP 19 1.609 8.498 4.223
157 HE3 TRP 19 3HE TRP 19 3.836 3.668 3.672
158 HZ2 TRP 19 2HZ TRP 19 0.696 6.642 6.155
159 HZ3 TRP 19 3HZ TRP 19 2.551 2.840 5.600
160 HH2 TRP 19 HH TRP 19 1.014 4.297 6.816
161 H ARG 20 H ARG 20 6.254 8.370 1.135
162 HA ARG 20 HA ARG 20 5.965 10.067 3.424
163 1HB ARG 20 2HB ARG 20 8.117 10.926 3.592
164 2HB ARG 20 1HB ARG 20 8.462 9.233 3.273
165 1HG ARG 20 2HG ARG 20 8.344 11.290 1.091
166 2HG ARG 20 1HG ARG 20 9.820 10.934 1.989
167 1HD ARG 20 2HD ARG 20 9.208 8.455 1.351
168 2HD ARG 20 1HD ARG 20 8.314 9.246 0.052
169 HE ARG 20 HE ARG 20 11.222 9.359 0.458
170 1HH1 ARG 20 1HH1 ARG 20 8.406 9.934 -1.506
171 2HH1 ARG 20 2HH1 ARG 20 9.315 10.284 -2.938
172 1HH2 ARG 20 1HH2 ARG 20 12.432 9.822 -1.421
173 2HH2 ARG 20 2HH2 ARG 20 11.604 10.220 -2.890
174 HA PRO 21 HA PRO 21 4.404 12.846 0.389
175 1HB PRO 21 2HB PRO 21 6.465 14.852 1.019
176 2HB PRO 21 1HB PRO 21 4.716 15.023 0.975
177 1HG PRO 21 2HG PRO 21 5.978 14.903 3.301
178 2HG PRO 21 1HG PRO 21 4.428 14.081 3.045
179 1HD PRO 21 2HD PRO 21 7.179 12.926 3.161
180 2HD PRO 21 1HD PRO 21 5.649 12.259 3.767
181 H LYS 22 H LYS 22 4.696 12.295 -1.628
182 HA LYS 22 HA LYS 22 6.743 11.461 -3.084
183 1HB LYS 22 2HB LYS 22 4.548 11.627 -3.984
184 2HB LYS 22 1HB LYS 22 4.583 13.380 -3.914
185 1HG LYS 22 2HG LYS 22 4.897 12.298 -6.180
186 2HG LYS 22 1HG LYS 22 6.070 13.533 -5.724
187 1HD LYS 22 2HD LYS 22 7.549 11.629 -4.937
188 2HD LYS 22 1HD LYS 22 6.418 10.539 -5.741
189 1HE LYS 22 2HE LYS 22 8.300 12.534 -6.916
190 2HE LYS 22 1HE LYS 22 8.006 10.860 -7.382
191 1HZ LYS 22 1HZ LYS 22 5.772 11.612 -8.164
192 2HZ LYS 22 2HZ LYS 22 7.073 12.236 -9.048
193 3HZ LYS 22 3HZ LYS 22 6.276 13.209 -7.916
194 H ASN 23 H ASN 23 5.955 14.945 -2.805
195 HA ASN 23 HA ASN 23 8.628 15.572 -3.848
196 1HB ASN 23 2HB ASN 23 6.031 17.043 -3.785
197 2HB ASN 23 1HB ASN 23 7.524 17.974 -3.824
198 1HD2 ASN 23 1HD2 ASN 23 8.723 18.044 -5.667
199 2HD2 ASN 23 2HD2 ASN 23 8.213 17.351 -7.166
200 H SER 24 H SER 24 6.457 16.377 -1.163
201 HA SER 24 HA SER 24 8.401 18.007 0.171
202 1HB SER 24 2HB SER 24 6.006 18.429 0.446
203 2HB SER 24 1HB SER 24 5.791 16.835 1.167
204 HG SER 24 HG SER 24 6.528 17.572 2.997
205 H VAL 25 H VAL 25 8.540 17.392 2.723
206 HA VAL 25 HA VAL 25 9.480 14.606 2.875
207 HB VAL 25 HB VAL 25 11.316 15.456 4.394
208 1HG1 VAL 25 1HG1 VAL 25 12.474 16.576 2.212
209 2HG1 VAL 25 2HG1 VAL 25 11.137 15.695 1.473
210 3HG1 VAL 25 3HG1 VAL 25 12.310 14.841 2.476
211 1HG2 VAL 25 1HG2 VAL 25 10.298 17.685 4.786
212 2HG2 VAL 25 2HG2 VAL 25 10.662 18.108 3.112
213 3HG2 VAL 25 3HG2 VAL 25 11.973 17.771 4.242
214 H GLY 26 H GLY 26 8.836 13.502 4.630
215 1HA GLY 26 2HA GLY 26 8.128 14.870 7.085
216 2HA GLY 26 1HA GLY 26 6.774 14.137 6.238
217 H ARG 27 H ARG 27 10.032 12.832 6.332
218 HA ARG 27 HA ARG 27 10.910 10.924 7.191
219 1HB ARG 27 2HB ARG 27 10.475 11.583 9.389
220 2HB ARG 27 1HB ARG 27 8.733 11.486 9.179
221 1HG ARG 27 2HG ARG 27 8.961 9.596 10.363
222 2HG ARG 27 1HG ARG 27 9.396 8.903 8.800
223 1HD ARG 27 2HD ARG 27 11.371 8.335 9.637
224 2HD ARG 27 1HD ARG 27 11.743 10.044 9.862
225 HE ARG 27 HE ARG 27 11.110 9.866 12.113
226 1HH1 ARG 27 1HH1 ARG 27 10.793 6.836 10.414
227 2HH1 ARG 27 2HH1 ARG 27 10.678 5.892 11.861
228 1HH2 ARG 27 1HH2 ARG 27 10.960 8.625 14.019
229 2HH2 ARG 27 2HH2 ARG 27 10.770 6.908 13.907
230 H TRP 28 H TRP 28 10.801 8.779 6.716
231 HA TRP 28 HA TRP 28 8.821 7.860 4.959
232 1HB TRP 28 2HB TRP 28 11.036 6.542 6.488
233 2HB TRP 28 1HB TRP 28 9.869 5.545 5.629
234 HD1 TRP 28 HD TRP 28 13.049 7.346 5.128
235 HE1 TRP 28 1HE TRP 28 13.668 7.421 2.633
236 HE3 TRP 28 3HE TRP 28 8.578 5.865 3.137
237 HZ2 TRP 28 2HZ TRP 28 12.428 6.917 0.148
238 HZ3 TRP 28 3HZ TRP 28 8.375 5.694 0.688
239 HH2 TRP 28 HH TRP 28 10.265 6.205 -0.772
240 H LYS 29 H LYS 29 7.528 5.815 5.325
241 HA LYS 29 HA LYS 29 6.462 5.657 8.064
242 1HB LYS 29 2HB LYS 29 4.784 5.713 5.547
243 2HB LYS 29 1HB LYS 29 4.179 5.508 7.184
244 1HG LYS 29 2HG LYS 29 5.793 7.913 6.839
245 2HG LYS 29 1HG LYS 29 4.349 7.874 5.824
246 1HD LYS 29 2HD LYS 29 3.747 6.969 8.492
247 2HD LYS 29 1HD LYS 29 4.507 8.562 8.530
248 1HE LYS 29 2HE LYS 29 2.744 8.851 6.480
249 2HE LYS 29 1HE LYS 29 1.869 7.745 7.538
250 1HZ LYS 29 1HZ LYS 29 2.305 9.342 9.371
251 2HZ LYS 29 2HZ LYS 29 1.307 9.957 8.152
252 3HZ LYS 29 3HZ LYS 29 2.930 10.426 8.234
253 H GLU 30 H GLU 30 5.334 3.575 8.494
254 HA GLU 30 HA GLU 30 6.040 1.473 6.581
255 1HB GLU 30 2HB GLU 30 7.312 0.221 8.019
256 2HB GLU 30 1HB GLU 30 7.746 1.841 8.534
257 1HG GLU 30 2HG GLU 30 5.491 0.481 9.909
258 2HG GLU 30 1HG GLU 30 7.135 -0.045 10.257
259 H ALA 31 H ALA 31 4.506 0.061 6.229
260 HA ALA 31 HA ALA 31 2.532 -0.563 8.288
261 1HB ALA 31 1HB ALA 31 1.016 0.781 7.339
262 2HB ALA 31 2HB ALA 31 0.941 -0.426 6.054
263 3HB ALA 31 3HB ALA 31 1.983 0.988 5.879
264 H THR 32 H THR 32 2.354 -2.728 8.413
265 HA THR 32 HA THR 32 3.130 -4.303 6.051
266 HB THR 32 HB THR 32 2.911 -5.462 8.810
267 HG1 THR 32 1HG THR 32 5.413 -4.970 8.479
268 1HG2 THR 32 1HG2 THR 32 3.947 -7.261 7.927
269 2HG2 THR 32 2HG2 THR 32 5.039 -6.278 6.954
270 3HG2 THR 32 3HG2 THR 32 3.402 -6.603 6.384
271 H ILE 33 H ILE 33 1.591 -5.291 4.958
272 HA ILE 33 HA ILE 33 -0.874 -6.087 6.370
273 HB ILE 33 HB ILE 33 -1.332 -5.805 3.552
274 1HG1 ILE 33 2HG1 ILE 33 0.545 -4.103 3.885
275 2HG1 ILE 33 1HG1 ILE 33 -0.934 -3.522 3.144
276 1HG2 ILE 33 1HG2 ILE 33 -3.266 -4.736 4.227
277 2HG2 ILE 33 2HG2 ILE 33 -2.508 -4.060 5.666
278 3HG2 ILE 33 3HG2 ILE 33 -2.895 -5.779 5.599
279 1HD1 ILE 33 1HD1 ILE 33 -1.597 -2.439 5.150
280 2HD1 ILE 33 2HD1 ILE 33 0.082 -2.001 4.836
281 3HD1 ILE 33 3HD1 ILE 33 -0.299 -3.210 6.063
282 HA PRO 34 HA PRO 34 0.728 -10.020 4.790
283 1HB PRO 34 2HB PRO 34 -0.823 -11.612 6.325
284 2HB PRO 34 1HB PRO 34 0.624 -10.807 6.947
285 1HG PRO 34 2HG PRO 34 -2.252 -10.017 7.225
286 2HG PRO 34 1HG PRO 34 -0.968 -10.010 8.448
287 1HD PRO 34 2HD PRO 34 -1.770 -7.770 7.132
288 2HD PRO 34 1HD PRO 34 -0.111 -8.004 7.716
289 H GLY 35 H GLY 35 0.024 -10.361 2.761
290 1HA GLY 35 2HA GLY 35 -1.324 -11.060 1.042
291 2HA GLY 35 1HA GLY 35 -2.326 -11.824 2.266
292 H HIS 36 H HIS 36 -4.364 -11.187 2.202
293 HA HIS 36 HA HIS 36 -4.970 -8.357 1.849
294 1HB HIS 36 2HB HIS 36 -6.704 -8.843 0.156
295 2HB HIS 36 1HB HIS 36 -5.087 -9.247 -0.411
296 HD2 HIS 36 2HD HIS 36 -4.768 -12.259 0.621
297 HE1 HIS 36 1HE HIS 36 -8.493 -12.917 -1.273
298 HE2 HIS 36 2HE HIS 36 -6.493 -14.023 -0.178
299 H LEU 37 H LEU 37 -5.258 -8.933 4.203
300 HA LEU 37 HA LEU 37 -7.409 -10.548 5.057
301 1HB LEU 37 2HB LEU 37 -7.187 -9.275 7.203
302 2HB LEU 37 1HB LEU 37 -5.708 -10.022 6.630
303 HG LEU 37 HG LEU 37 -6.181 -7.181 5.886
304 1HD1 LEU 37 1HD1 LEU 37 -6.810 -7.381 8.299
305 2HD1 LEU 37 2HD1 LEU 37 -5.432 -6.329 7.978
306 3HD1 LEU 37 3HD1 LEU 37 -5.172 -7.954 8.614
307 1HD2 LEU 37 1HD2 LEU 37 -4.181 -7.935 5.040
308 2HD2 LEU 37 2HD2 LEU 37 -3.874 -8.996 6.416
309 3HD2 LEU 37 3HD2 LEU 37 -3.661 -7.252 6.582
310 H ASN 38 H ASN 38 -7.179 -7.194 4.084
311 HA ASN 38 HA ASN 38 -9.928 -6.973 3.535
312 1HB ASN 38 2HB ASN 38 -10.396 -5.156 5.280
313 2HB ASN 38 1HB ASN 38 -10.400 -6.825 5.844
314 1HD2 ASN 38 1HD2 ASN 38 -8.041 -4.217 5.328
315 2HD2 ASN 38 2HD2 ASN 38 -7.229 -4.427 6.839
316 H SER 39 H SER 39 -10.407 -4.332 3.604
317 HA SER 39 HA SER 39 -8.483 -3.322 1.690
318 1HB SER 39 2HB SER 39 -11.193 -2.417 2.632
319 2HB SER 39 1HB SER 39 -10.168 -1.347 1.676
320 HG SER 39 HG SER 39 -10.561 -2.509 -0.039
321 H TYR 40 H TYR 40 -6.674 -2.491 2.540
322 HA TYR 40 HA TYR 40 -6.808 -0.907 4.989
323 1HB TYR 40 2HB TYR 40 -5.047 -2.607 4.826
324 2HB TYR 40 1HB TYR 40 -4.422 -1.837 3.373
325 HD1 TYR 40 1HD TYR 40 -3.089 0.168 3.505
326 HD2 TYR 40 2HD TYR 40 -4.750 -1.555 7.023
327 HE1 TYR 40 1HE TYR 40 -1.628 1.587 4.883
328 HE2 TYR 40 2HE TYR 40 -3.291 -0.141 8.411
329 HH TYR 40 HH TYR 40 -0.743 1.128 7.703
330 H THR 41 H THR 41 -7.385 1.145 4.678
331 HA THR 41 HA THR 41 -6.312 2.574 2.343
332 HB THR 41 HB THR 41 -8.194 3.851 2.241
333 HG1 THR 41 1HG THR 41 -9.304 3.670 4.698
334 1HG2 THR 41 1HG2 THR 41 -10.084 2.521 2.435
335 2HG2 THR 41 2HG2 THR 41 -9.526 1.765 3.928
336 3HG2 THR 41 3HG2 THR 41 -8.792 1.321 2.386
337 H ILE 42 H ILE 42 -5.155 4.433 2.561
338 HA ILE 42 HA ILE 42 -4.216 5.058 5.268
339 HB ILE 42 HB ILE 42 -3.046 5.945 2.628
340 1HG1 ILE 42 2HG1 ILE 42 -1.360 4.119 4.015
341 2HG1 ILE 42 1HG1 ILE 42 -2.962 3.393 3.915
342 1HG2 ILE 42 1HG2 ILE 42 -1.230 6.789 3.819
343 2HG2 ILE 42 2HG2 ILE 42 -1.650 5.896 5.280
344 3HG2 ILE 42 3HG2 ILE 42 -2.624 7.278 4.780
345 1HD1 ILE 42 1HD1 ILE 42 -2.952 3.697 1.499
346 2HD1 ILE 42 2HD1 ILE 42 -1.567 2.744 2.036
347 3HD1 ILE 42 3HD1 ILE 42 -1.355 4.439 1.595
348 H LYS 43 H LYS 43 -4.683 6.942 6.239
349 HA LYS 43 HA LYS 43 -5.944 9.040 4.605
350 1HB LYS 43 2HB LYS 43 -6.811 7.765 7.107
351 2HB LYS 43 1HB LYS 43 -6.908 9.520 7.112
352 1HG LYS 43 2HG LYS 43 -8.924 9.177 6.204
353 2HG LYS 43 1HG LYS 43 -8.014 8.960 4.706
354 1HD LYS 43 2HD LYS 43 -8.774 6.878 4.555
355 2HD LYS 43 1HD LYS 43 -7.995 6.486 6.089
356 1HE LYS 43 2HE LYS 43 -10.705 7.782 5.892
357 2HE LYS 43 1HE LYS 43 -10.473 6.036 5.972
358 1HZ LYS 43 1HZ LYS 43 -10.151 6.138 8.153
359 2HZ LYS 43 2HZ LYS 43 -10.688 7.741 8.096
360 3HZ LYS 43 3HZ LYS 43 -9.033 7.402 8.023
361 H GLY 44 H GLY 44 -3.736 9.815 4.369
362 1HA GLY 44 2HA GLY 44 -3.111 11.757 6.455
363 2HA GLY 44 1HA GLY 44 -1.849 10.592 6.066
364 H LEU 45 H LEU 45 -3.804 11.252 3.444
365 HA LEU 45 HA LEU 45 -1.951 13.278 2.372
366 1HB LEU 45 2HB LEU 45 -3.315 11.310 0.576
367 2HB LEU 45 1HB LEU 45 -1.820 12.188 0.325
368 HG LEU 45 HG LEU 45 -0.748 10.691 2.041
369 1HD1 LEU 45 1HD1 LEU 45 -2.590 8.524 1.749
370 2HD1 LEU 45 2HD1 LEU 45 -3.408 9.910 2.471
371 3HD1 LEU 45 3HD1 LEU 45 -1.953 9.257 3.220
372 1HD2 LEU 45 1HD2 LEU 45 -0.444 10.345 -0.345
373 2HD2 LEU 45 2HD2 LEU 45 -1.928 9.394 -0.409
374 3HD2 LEU 45 3HD2 LEU 45 -0.540 8.801 0.503
375 H LYS 46 H LYS 46 -3.461 13.311 -0.129
376 HA LYS 46 HA LYS 46 -6.093 13.644 -0.160
377 1HB LYS 46 2HB LYS 46 -6.464 16.066 0.332
378 2HB LYS 46 1HB LYS 46 -6.100 15.107 1.756
379 1HG LYS 46 2HG LYS 46 -3.626 15.991 0.929
380 2HG LYS 46 1HG LYS 46 -4.685 17.367 0.606
381 1HD LYS 46 2HD LYS 46 -5.551 16.648 3.062
382 2HD LYS 46 1HD LYS 46 -3.857 16.166 3.170
383 1HE LYS 46 2HE LYS 46 -4.641 18.606 3.800
384 2HE LYS 46 1HE LYS 46 -3.092 18.310 3.012
385 1HZ LYS 46 1HZ LYS 46 -4.545 20.135 2.062
386 2HZ LYS 46 2HZ LYS 46 -5.538 18.905 1.460
387 3HZ LYS 46 3HZ LYS 46 -3.925 19.009 0.961
388 HA PRO 47 HA PRO 47 -5.373 15.046 -4.257
389 1HB PRO 47 2HB PRO 47 -7.174 17.154 -4.502
390 2HB PRO 47 1HB PRO 47 -7.538 15.446 -4.773
391 1HG PRO 47 2HG PRO 47 -8.046 17.134 -2.367
392 2HG PRO 47 1HG PRO 47 -9.040 15.844 -3.070
393 1HD PRO 47 2HD PRO 47 -7.568 15.439 -0.867
394 2HD PRO 47 1HD PRO 47 -7.784 14.167 -2.088
395 H GLY 48 H GLY 48 -4.826 17.022 -1.587
396 1HA GLY 48 2HA GLY 48 -3.747 19.262 -3.107
397 2HA GLY 48 1HA GLY 48 -3.833 19.134 -1.355
398 H VAL 49 H VAL 49 -2.556 16.737 -0.889
399 HA VAL 49 HA VAL 49 0.170 17.299 -1.868
400 HB VAL 49 HB VAL 49 0.328 15.608 0.381
401 1HG1 VAL 49 1HG1 VAL 49 2.081 17.069 -0.282
402 2HG1 VAL 49 2HG1 VAL 49 1.557 17.552 1.337
403 3HG1 VAL 49 3HG1 VAL 49 1.052 18.491 -0.068
404 1HG2 VAL 49 1HG2 VAL 49 -1.620 16.137 1.425
405 2HG2 VAL 49 2HG2 VAL 49 -1.725 17.731 0.667
406 3HG2 VAL 49 3HG2 VAL 49 -0.615 17.466 2.013
407 H VAL 50 H VAL 50 1.352 15.712 -2.744
408 HA VAL 50 HA VAL 50 0.042 13.103 -3.055
409 HB VAL 50 HB VAL 50 0.534 14.084 -5.184
410 1HG1 VAL 50 1HG1 VAL 50 3.417 14.196 -5.065
411 2HG1 VAL 50 2HG1 VAL 50 2.677 15.280 -3.888
412 3HG1 VAL 50 3HG1 VAL 50 2.263 15.418 -5.597
413 1HG2 VAL 50 1HG2 VAL 50 1.818 11.672 -4.283
414 2HG2 VAL 50 2HG2 VAL 50 2.735 12.413 -5.595
415 3HG2 VAL 50 3HG2 VAL 50 1.033 12.016 -5.825
416 H TYR 51 H TYR 51 0.765 11.530 -1.771
417 HA TYR 51 HA TYR 51 3.483 11.749 -0.688
418 1HB TYR 51 2HB TYR 51 1.096 10.149 0.229
419 2HB TYR 51 1HB TYR 51 2.702 9.983 0.926
420 HD1 TYR 51 1HD TYR 51 3.302 11.300 2.729
421 HD2 TYR 51 2HD TYR 51 0.099 12.568 0.230
422 HE1 TYR 51 1HE TYR 51 2.850 13.160 4.268
423 HE2 TYR 51 2HE TYR 51 -0.356 14.440 1.762
424 HH TYR 51 HH TYR 51 1.304 14.747 4.840
425 H GLU 52 H GLU 52 5.041 10.435 -1.402
426 HA GLU 52 HA GLU 52 4.402 8.446 -3.375
427 1HB GLU 52 2HB GLU 52 6.389 9.590 -3.848
428 2HB GLU 52 1HB GLU 52 6.939 9.518 -2.181
429 1HG GLU 52 2HG GLU 52 7.974 7.577 -2.490
430 2HG GLU 52 1HG GLU 52 6.625 6.897 -3.397
431 H GLY 53 H GLY 53 4.050 6.369 -3.022
432 1HA GLY 53 2HA GLY 53 4.711 5.296 -0.356
433 2HA GLY 53 1HA GLY 53 3.302 4.811 -1.281
434 H GLN 54 H GLN 54 5.156 3.025 -0.176
435 HA GLN 54 HA GLN 54 6.210 1.856 -2.666
436 1HB GLN 54 2HB GLN 54 8.068 2.884 -1.413
437 2HB GLN 54 1HB GLN 54 7.667 1.885 -0.021
438 1HG GLN 54 2HG GLN 54 8.616 0.046 -0.895
439 2HG GLN 54 1HG GLN 54 8.113 0.435 -2.539
440 1HE2 GLN 54 1HE2 GLN 54 9.938 2.497 -0.350
441 2HE2 GLN 54 2HE2 GLN 54 11.383 2.535 -1.294
442 H LEU 55 H LEU 55 5.182 0.020 -3.017
443 HA LEU 55 HA LEU 55 4.283 -1.587 -0.733
444 1HB LEU 55 2HB LEU 55 3.208 -1.014 -3.346
445 2HB LEU 55 1HB LEU 55 3.325 -2.744 -3.070
446 HG LEU 55 HG LEU 55 1.156 -1.951 -2.393
447 1HD1 LEU 55 1HD1 LEU 55 1.530 -2.405 0.222
448 2HD1 LEU 55 2HD1 LEU 55 3.037 -3.047 -0.432
449 3HD1 LEU 55 3HD1 LEU 55 1.490 -3.675 -0.999
450 1HD2 LEU 55 1HD2 LEU 55 2.714 0.179 -1.172
451 2HD2 LEU 55 2HD2 LEU 55 1.444 -0.468 -0.135
452 3HD2 LEU 55 3HD2 LEU 55 1.040 0.173 -1.727
453 H ILE 56 H ILE 56 5.858 -2.961 -0.125
454 HA ILE 56 HA ILE 56 7.261 -4.452 -2.243
455 HB ILE 56 HB ILE 56 8.249 -3.802 0.535
456 1HG1 ILE 56 2HG1 ILE 56 9.448 -2.885 -2.066
457 2HG1 ILE 56 1HG1 ILE 56 8.171 -1.970 -1.276
458 1HG2 ILE 56 1HG2 ILE 56 8.971 -5.907 -1.193
459 2HG2 ILE 56 2HG2 ILE 56 9.753 -5.412 0.309
460 3HG2 ILE 56 3HG2 ILE 56 10.285 -4.731 -1.228
461 1HD1 ILE 56 1HD1 ILE 56 10.344 -1.073 -0.716
462 2HD1 ILE 56 2HD1 ILE 56 10.854 -2.645 -0.098
463 3HD1 ILE 56 3HD1 ILE 56 9.570 -1.752 0.717
464 H SER 57 H SER 57 6.732 -6.530 -2.387
465 HA SER 57 HA SER 57 5.291 -7.812 -0.239
466 1HB SER 57 2HB SER 57 6.257 -9.345 -2.613
467 2HB SER 57 1HB SER 57 4.723 -9.457 -1.748
468 HG SER 57 HG SER 57 5.367 -7.128 -3.184
469 H ILE 58 H ILE 58 6.031 -9.349 1.083
470 HA ILE 58 HA ILE 58 8.901 -9.971 0.951
471 HB ILE 58 HB ILE 58 7.172 -9.373 3.327
472 1HG1 ILE 58 2HG1 ILE 58 9.683 -8.230 3.601
473 2HG1 ILE 58 1HG1 ILE 58 9.372 -8.138 1.868
474 1HG2 ILE 58 1HG2 ILE 58 9.689 -10.050 4.305
475 2HG2 ILE 58 2HG2 ILE 58 9.274 -11.350 3.187
476 3HG2 ILE 58 3HG2 ILE 58 8.190 -10.955 4.521
477 1HD1 ILE 58 1HD1 ILE 58 8.099 -6.366 2.203
478 2HD1 ILE 58 2HD1 ILE 58 8.381 -6.481 3.941
479 3HD1 ILE 58 3HD1 ILE 58 7.017 -7.328 3.210
480 H GLN 59 H GLN 59 9.528 -12.017 0.930
481 HA GLN 59 HA GLN 59 7.538 -14.122 0.938
482 1HB GLN 59 2HB GLN 59 10.065 -13.741 -0.261
483 2HB GLN 59 1HB GLN 59 10.256 -15.085 0.856
484 1HG GLN 59 2HG GLN 59 8.250 -14.874 -1.377
485 2HG GLN 59 1HG GLN 59 9.679 -15.905 -1.331
486 1HE2 GLN 59 1HE2 GLN 59 9.735 -17.598 0.271
487 2HE2 GLN 59 2HE2 GLN 59 8.258 -18.322 0.797
488 H GLN 60 H GLN 60 8.609 -16.268 2.051
489 HA GLN 60 HA GLN 60 8.267 -15.890 4.813
490 1HB GLN 60 2HB GLN 60 8.856 -18.205 5.061
491 2HB GLN 60 1HB GLN 60 7.916 -18.042 3.584
492 1HG GLN 60 2HG GLN 60 9.628 -18.657 2.264
493 2HG GLN 60 1HG GLN 60 10.831 -17.837 3.259
494 1HE2 GLN 60 1HE2 GLN 60 10.588 -20.605 2.063
495 2HE2 GLN 60 2HE2 GLN 60 10.922 -21.667 3.385
496 H TYR 61 H TYR 61 11.084 -15.834 2.762
497 HA TYR 61 HA TYR 61 12.833 -15.557 5.103
498 1HB TYR 61 2HB TYR 61 14.655 -15.715 3.259
499 2HB TYR 61 1HB TYR 61 13.792 -17.174 3.729
500 HD1 TYR 61 1HD TYR 61 13.540 -14.395 1.234
501 HD2 TYR 61 2HD TYR 61 12.966 -18.530 2.057
502 HE1 TYR 61 1HE TYR 61 12.903 -14.767 -1.112
503 HE2 TYR 61 2HE TYR 61 12.327 -18.914 -0.287
504 HH TYR 61 HH TYR 61 12.917 -17.555 -2.603
505 H GLY 62 H GLY 62 11.120 -13.666 3.000
506 1HA GLY 62 2HA GLY 62 11.197 -11.272 3.270
507 2HA GLY 62 1HA GLY 62 12.937 -11.395 3.476
508 H HIS 63 H HIS 63 11.596 -9.635 1.683
509 HA HIS 63 HA HIS 63 11.828 -8.824 -0.429
510 1HB HIS 63 2HB HIS 63 13.905 -10.991 -0.451
511 2HB HIS 63 1HB HIS 63 13.537 -10.095 -1.921
512 HD2 HIS 63 2HD HIS 63 13.783 -7.162 -1.436
513 HE1 HIS 63 1HE HIS 63 16.933 -7.890 1.294
514 HE2 HIS 63 2HE HIS 63 15.860 -6.176 -0.235
515 H GLN 64 H GLN 64 10.625 -8.985 -2.250
516 HA GLN 64 HA GLN 64 10.031 -11.471 -3.513
517 1HB GLN 64 2HB GLN 64 8.209 -10.485 -1.455
518 2HB GLN 64 1HB GLN 64 7.422 -10.769 -3.001
519 1HG GLN 64 2HG GLN 64 8.850 -12.707 -1.233
520 2HG GLN 64 1HG GLN 64 7.194 -12.767 -1.837
521 1HE2 GLN 64 1HE2 GLN 64 10.491 -13.501 -2.465
522 2HE2 GLN 64 2HE2 GLN 64 10.253 -14.329 -3.964
523 H GLU 65 H GLU 65 8.495 -8.297 -2.989
524 HA GLU 65 HA GLU 65 8.763 -7.713 -5.845
525 1HB GLU 65 2HB GLU 65 6.465 -8.794 -4.989
526 2HB GLU 65 1HB GLU 65 6.132 -7.114 -4.601
527 1HG GLU 65 2HG GLU 65 5.317 -7.114 -6.705
528 2HG GLU 65 1HG GLU 65 7.004 -6.791 -7.105
529 H VAL 66 H VAL 66 8.863 -5.506 -6.333
530 HA VAL 66 HA VAL 66 8.538 -3.639 -4.088
531 HB VAL 66 HB VAL 66 10.909 -3.630 -5.957
532 1HG1 VAL 66 1HG1 VAL 66 10.763 -1.412 -5.537
533 2HG1 VAL 66 2HG1 VAL 66 11.524 -1.870 -4.013
534 3HG1 VAL 66 3HG1 VAL 66 9.775 -1.640 -4.095
535 1HG2 VAL 66 1HG2 VAL 66 11.829 -3.745 -3.360
536 2HG2 VAL 66 2HG2 VAL 66 11.764 -5.090 -4.497
537 3HG2 VAL 66 3HG2 VAL 66 10.447 -4.839 -3.351
538 H THR 67 H THR 67 7.218 -2.030 -4.612
539 HA THR 67 HA THR 67 7.267 -0.960 -7.342
540 HB THR 67 HB THR 67 4.593 -0.746 -6.646
541 HG1 THR 67 1HG THR 67 5.454 -3.415 -6.133
542 1HG2 THR 67 1HG2 THR 67 4.220 -1.897 -8.607
543 2HG2 THR 67 2HG2 THR 67 5.517 -3.051 -8.302
544 3HG2 THR 67 3HG2 THR 67 5.900 -1.413 -8.830
545 H ARG 68 H ARG 68 7.565 1.180 -7.270
546 HA ARG 68 HA ARG 68 6.748 2.623 -4.838
547 1HB ARG 68 2HB ARG 68 8.496 4.170 -6.506
548 2HB ARG 68 1HB ARG 68 8.750 3.606 -4.860
549 1HG ARG 68 2HG ARG 68 10.454 2.469 -5.743
550 2HG ARG 68 1HG ARG 68 9.223 1.336 -6.278
551 1HD ARG 68 2HD ARG 68 9.977 3.699 -7.956
552 2HD ARG 68 1HD ARG 68 10.938 2.223 -7.993
553 HE ARG 68 HE ARG 68 8.731 1.111 -8.582
554 1HH1 ARG 68 1HH1 ARG 68 9.508 4.399 -9.436
555 2HH1 ARG 68 2HH1 ARG 68 8.473 4.417 -10.825
556 1HH2 ARG 68 1HH2 ARG 68 7.369 1.126 -10.409
557 2HH2 ARG 68 2HH2 ARG 68 7.258 2.558 -11.379
558 H PHE 69 H PHE 69 5.075 3.952 -4.995
559 HA PHE 69 HA PHE 69 4.626 5.531 -7.397
560 1HB PHE 69 2HB PHE 69 2.634 3.496 -6.394
561 2HB PHE 69 1HB PHE 69 2.196 4.826 -7.459
562 HD1 PHE 69 1HD PHE 69 3.273 4.954 -9.733
563 HD2 PHE 69 2HD PHE 69 3.560 1.522 -7.234
564 HE1 PHE 69 1HE PHE 69 3.883 3.589 -11.686
565 HE2 PHE 69 2HE PHE 69 4.170 0.150 -9.183
566 HZ PHE 69 HZ PHE 69 4.334 1.183 -11.412
567 H ASP 70 H ASP 70 3.879 7.514 -6.907
568 HA ASP 70 HA ASP 70 3.115 8.062 -4.149
569 1HB ASP 70 2HB ASP 70 3.291 10.459 -4.908
570 2HB ASP 70 1HB ASP 70 4.785 9.539 -5.049
571 H PHE 71 H PHE 71 1.114 8.782 -3.546
572 HA PHE 71 HA PHE 71 -0.884 9.277 -5.625
573 1HB PHE 71 2HB PHE 71 -2.451 7.720 -4.652
574 2HB PHE 71 1HB PHE 71 -0.944 6.871 -5.002
575 HD1 PHE 71 1HD PHE 71 0.676 6.460 -3.088
576 HD2 PHE 71 2HD PHE 71 -3.347 7.735 -2.497
577 HE1 PHE 71 1HE PHE 71 0.772 5.681 -0.759
578 HE2 PHE 71 2HE PHE 71 -3.254 6.946 -0.167
579 HZ PHE 71 HZ PHE 71 -1.192 5.920 0.704
580 H THR 72 H THR 72 -2.904 10.207 -4.779
581 HA THR 72 HA THR 72 -2.751 11.461 -2.143
582 HB THR 72 HB THR 72 -2.223 13.502 -2.888
583 HG1 THR 72 1HG THR 72 -4.318 13.319 -4.803
584 1HG2 THR 72 1HG2 THR 72 -2.153 12.080 -5.521
585 2HG2 THR 72 2HG2 THR 72 -0.824 12.764 -4.587
586 3HG2 THR 72 3HG2 THR 72 -1.931 13.828 -5.454
587 H THR 73 H THR 73 -4.777 11.649 -1.192
588 HA THR 73 HA THR 73 -7.215 12.227 -2.323
589 HB THR 73 HB THR 73 -7.093 10.417 -3.853
590 HG1 THR 73 1HG THR 73 -8.557 9.075 -1.881
591 1HG2 THR 73 1HG2 THR 73 -5.808 8.646 -3.439
592 2HG2 THR 73 2HG2 THR 73 -6.813 8.185 -2.062
593 3HG2 THR 73 3HG2 THR 73 -5.481 9.333 -1.840
594 H THR 74 H THR 74 -7.111 12.965 0.018
595 HA THR 74 HA THR 74 -8.688 11.202 1.628
596 HB THR 74 HB THR 74 -7.246 10.376 3.114
597 HG1 THR 74 1HG THR 74 -5.737 11.728 4.218
598 1HG2 THR 74 1HG2 THR 74 -5.273 11.471 1.130
599 2HG2 THR 74 2HG2 THR 74 -5.806 9.805 1.356
600 3HG2 THR 74 3HG2 THR 74 -4.750 10.561 2.548
601 H SER 75 H SER 75 -8.470 12.344 4.096
602 HA SER 75 HA SER 75 -8.967 14.161 5.375
603 1HB SER 75 2HB SER 75 -7.340 15.287 3.451
604 2HB SER 75 1HB SER 75 -8.814 16.246 3.324
605 HG SER 75 HG SER 75 -7.398 17.110 4.882
606 H THR 76 H THR 76 -11.075 13.137 5.258
607 HA THR 76 HA THR 76 -13.019 14.652 3.650
608 HB THR 76 HB THR 76 -14.005 12.231 4.984
609 HG1 THR 76 1HG THR 76 -11.798 11.653 4.349
610 1HG2 THR 76 1HG2 THR 76 -14.212 13.578 2.333
611 2HG2 THR 76 2HG2 THR 76 -15.487 13.043 3.427
612 3HG2 THR 76 3HG2 THR 76 -14.619 11.865 2.443
613 H SER 77 H SER 77 -15.251 13.650 5.259
614 HA SER 77 HA SER 77 -14.835 14.774 7.905
615 1HB SER 77 2HB SER 77 -17.206 15.963 6.696
616 2HB SER 77 1HB SER 77 -15.912 16.731 7.621
617 HG SER 77 HG SER 77 -14.807 17.109 5.803
618 H THR 78 H THR 78 -15.335 12.256 7.847
619 HA THR 78 HA THR 78 -17.943 11.979 8.919
620 HB THR 78 HB THR 78 -18.151 9.977 7.009
621 HG1 THR 78 1HG THR 78 -16.894 10.781 5.456
622 1HG2 THR 78 1HG2 THR 78 -20.041 11.134 7.870
623 2HG2 THR 78 2HG2 THR 78 -20.009 11.437 6.133
624 3HG2 THR 78 3HG2 THR 78 -19.454 12.683 7.254
625 HA PRO 79 HA PRO 79 -16.539 8.682 11.457
626 1HB PRO 79 2HB PRO 79 -18.493 7.262 9.668
627 2HB PRO 79 1HB PRO 79 -18.196 6.987 11.391
628 1HG PRO 79 2HG PRO 79 -20.210 8.524 10.633
629 2HG PRO 79 1HG PRO 79 -19.194 9.009 12.005
630 1HD PRO 79 2HD PRO 79 -19.371 10.175 9.311
631 2HD PRO 79 1HD PRO 79 -18.739 10.890 10.805
632 H GLY 80 H GLY 80 -14.945 7.168 11.388
633 1HA GLY 80 2HA GLY 80 -14.409 5.694 8.933
634 2HA GLY 80 1HA GLY 80 -13.151 6.805 9.453
635 H SER 81 H SER 81 -14.536 3.715 9.854
636 HA SER 81 HA SER 81 -12.366 2.865 11.520
637 1HB SER 81 2HB SER 81 -13.705 2.085 13.416
638 2HB SER 81 1HB SER 81 -13.867 3.831 13.228
639 HG SER 81 HG SER 81 -15.797 3.057 11.839
640 H ARG 82 H ARG 82 -13.074 0.470 12.373
641 HA ARG 82 HA ARG 82 -14.257 -0.900 10.045
642 1HB ARG 82 2HB ARG 82 -11.692 -1.397 11.478
643 2HB ARG 82 1HB ARG 82 -12.586 -2.791 10.886
644 1HG ARG 82 2HG ARG 82 -12.411 -2.084 8.647
645 2HG ARG 82 1HG ARG 82 -11.884 -0.467 9.121
646 1HD ARG 82 2HD ARG 82 -10.307 -2.955 9.731
647 2HD ARG 82 1HD ARG 82 -10.082 -2.015 8.257
648 HE ARG 82 HE ARG 82 -9.773 -0.129 10.100
649 1HH1 ARG 82 1HH1 ARG 82 -8.481 -3.363 9.953
650 2HH1 ARG 82 2HH1 ARG 82 -7.046 -2.967 10.838
651 1HH2 ARG 82 1HH2 ARG 82 -7.888 0.399 11.265
652 2HH2 ARG 82 2HH2 ARG 82 -6.710 -0.830 11.586
653 H SER 83 H SER 83 -14.547 -3.378 10.773
654 HA SER 83 HA SER 83 -15.452 -3.676 13.493
655 1HB SER 83 2HB SER 83 -17.297 -2.627 11.735
656 2HB SER 83 1HB SER 83 -17.654 -4.353 11.684
657 HG SER 83 HG SER 83 -17.570 -2.676 13.969
658 H HIS 84 H HIS 84 -15.289 -5.736 14.127
659 HA HIS 84 HA HIS 84 -15.724 -7.964 12.402
660 1HB HIS 84 2HB HIS 84 -13.401 -8.861 12.511
661 2HB HIS 84 1HB HIS 84 -13.535 -7.399 11.541
662 HD2 HIS 84 2HD HIS 84 -11.662 -8.748 14.587
663 HE1 HIS 84 1HE HIS 84 -10.779 -4.624 14.239
664 HE2 HIS 84 2HE HIS 84 -10.064 -6.824 15.276
665 H HIS 85 H HIS 85 -16.460 -6.870 15.036
666 HA HIS 85 HA HIS 85 -17.006 -7.639 17.101
667 1HB HIS 85 2HB HIS 85 -16.171 -10.237 15.822
668 2HB HIS 85 1HB HIS 85 -16.737 -10.155 17.486
669 HD2 HIS 85 2HD HIS 85 -19.360 -10.583 17.690
670 HE1 HIS 85 1HE HIS 85 -20.437 -9.337 13.792
671 HE2 HIS 85 2HE HIS 85 -21.250 -10.455 15.917
672 H HIS 86 H HIS 86 -16.096 -8.359 19.151
673 HA HIS 86 HA HIS 86 -13.240 -7.775 19.260
674 1HB HIS 86 2HB HIS 86 -15.300 -6.910 20.810
675 2HB HIS 86 1HB HIS 86 -14.704 -8.253 21.779
676 HD2 HIS 86 2HD HIS 86 -12.861 -7.447 23.522
677 HE1 HIS 86 1HE HIS 86 -11.337 -4.198 21.280
678 HE2 HIS 86 2HE HIS 86 -11.056 -5.591 23.379
679 H HIS 87 H HIS 87 -12.722 -9.884 18.301
680 HA HIS 87 HA HIS 87 -12.533 -11.946 20.387
681 1HB HIS 87 2HB HIS 87 -13.431 -12.301 17.532
682 2HB HIS 87 1HB HIS 87 -12.775 -13.639 18.470
683 HD2 HIS 87 2HD HIS 87 -14.312 -14.037 20.973
684 HE1 HIS 87 1HE HIS 87 -17.831 -12.696 19.044
685 HE2 HIS 87 2HE HIS 87 -16.882 -13.733 21.153
686 H HIS 88 H HIS 88 -10.398 -11.733 20.841
687 HA HIS 88 HA HIS 88 -8.445 -11.397 18.736
688 1HB HIS 88 2HB HIS 88 -8.520 -11.074 21.615
689 2HB HIS 88 1HB HIS 88 -7.089 -11.968 21.114
690 HD2 HIS 88 2HD HIS 88 -5.157 -10.519 19.813
691 HE1 HIS 88 1HE HIS 88 -7.223 -6.828 19.977
692 HE2 HIS 88 2HE HIS 88 -4.982 -7.942 19.568
693 H HIS 89 H HIS 89 -10.126 -13.990 19.710
694 HA HIS 89 HA HIS 89 -8.033 -15.936 19.973
695 1HB HIS 89 2HB HIS 89 -10.661 -15.920 20.662
696 2HB HIS 89 1HB HIS 89 -10.722 -16.865 19.178
697 HD2 HIS 89 2HD HIS 89 -11.032 -19.344 20.222
698 HE1 HIS 89 1HE HIS 89 -7.652 -19.227 22.766
699 HE2 HIS 89 2HE HIS 89 -9.607 -20.630 21.966
Start of MODEL 17
1 1H MET 1 1HT MET 1 -11.321 -32.147 -18.217
2 2H MET 1 2HT MET 1 -11.635 -32.585 -16.613
3 3H MET 1 3HT MET 1 -10.364 -31.527 -16.967
4 HA MET 1 HA MET 1 -12.117 -30.002 -17.951
5 1HB MET 1 2HB MET 1 -13.692 -32.194 -17.451
6 2HB MET 1 1HB MET 1 -14.063 -31.162 -16.077
7 1HG MET 1 2HG MET 1 -15.651 -30.673 -17.746
8 2HG MET 1 1HG MET 1 -14.525 -29.319 -17.712
9 1HE MET 1 1HE MET 1 -16.545 -31.391 -20.024
10 2HE MET 1 2HE MET 1 -15.457 -32.661 -19.465
11 3HE MET 1 3HE MET 1 -15.415 -32.143 -21.150
12 H ARG 2 H ARG 2 -10.002 -30.031 -16.117
13 HA ARG 2 HA ARG 2 -11.116 -28.961 -13.632
14 1HB ARG 2 2HB ARG 2 -9.112 -30.663 -13.876
15 2HB ARG 2 1HB ARG 2 -8.178 -29.193 -14.122
16 1HG ARG 2 2HG ARG 2 -8.392 -28.528 -11.970
17 2HG ARG 2 1HG ARG 2 -9.996 -29.240 -11.793
18 1HD ARG 2 2HD ARG 2 -7.911 -30.270 -10.566
19 2HD ARG 2 1HD ARG 2 -9.173 -31.302 -11.239
20 HE ARG 2 HE ARG 2 -6.548 -30.802 -12.480
21 1HH1 ARG 2 1HH1 ARG 2 -9.420 -32.734 -12.079
22 2HH1 ARG 2 2HH1 ARG 2 -8.823 -34.052 -13.031
23 1HH2 ARG 2 1HH2 ARG 2 -5.755 -32.532 -13.739
24 2HH2 ARG 2 2HH2 ARG 2 -6.741 -33.937 -13.975
25 H GLY 3 H GLY 3 -11.483 -26.853 -13.511
26 1HA GLY 3 2HA GLY 3 -9.882 -25.045 -15.199
27 2HA GLY 3 1HA GLY 3 -11.486 -24.691 -14.575
28 H SER 4 H SER 4 -10.819 -25.712 -11.899
29 HA SER 4 HA SER 4 -9.493 -23.305 -10.929
30 1HB SER 4 2HB SER 4 -10.304 -25.009 -8.789
31 2HB SER 4 1HB SER 4 -10.998 -23.463 -9.277
32 HG SER 4 HG SER 4 -12.310 -25.571 -9.314
33 H ASN 5 H ASN 5 -7.321 -23.636 -11.261
34 HA ASN 5 HA ASN 5 -6.050 -26.088 -10.414
35 1HB ASN 5 2HB ASN 5 -4.962 -23.506 -11.545
36 2HB ASN 5 1HB ASN 5 -3.943 -24.867 -11.091
37 1HD2 ASN 5 1HD2 ASN 5 -3.861 -26.654 -12.376
38 2HD2 ASN 5 2HD2 ASN 5 -4.613 -26.744 -13.928
39 H ALA 6 H ALA 6 -5.953 -22.671 -9.411
40 HA ALA 6 HA ALA 6 -5.187 -23.566 -6.725
41 1HB ALA 6 1HB ALA 6 -3.120 -22.786 -6.963
42 2HB ALA 6 2HB ALA 6 -3.806 -21.166 -7.098
43 3HB ALA 6 3HB ALA 6 -3.498 -22.118 -8.550
44 HA PRO 7 HA PRO 7 -8.552 -20.373 -6.629
45 1HB PRO 7 2HB PRO 7 -10.073 -22.195 -4.989
46 2HB PRO 7 1HB PRO 7 -10.453 -21.597 -6.604
47 1HG PRO 7 2HG PRO 7 -9.811 -24.203 -6.045
48 2HG PRO 7 1HG PRO 7 -9.575 -23.438 -7.627
49 1HD PRO 7 2HD PRO 7 -7.583 -23.964 -5.458
50 2HD PRO 7 1HD PRO 7 -7.397 -24.104 -7.219
51 H GLN 8 H GLN 8 -7.058 -22.389 -4.197
52 HA GLN 8 HA GLN 8 -7.947 -21.114 -1.877
53 1HB GLN 8 2HB GLN 8 -5.407 -22.598 -2.525
54 2HB GLN 8 1HB GLN 8 -5.722 -21.951 -0.921
55 1HG GLN 8 2HG GLN 8 -7.480 -23.411 -0.536
56 2HG GLN 8 1HG GLN 8 -7.706 -23.746 -2.253
57 1HE2 GLN 8 1HE2 GLN 8 -6.215 -24.710 0.632
58 2HE2 GLN 8 2HE2 GLN 8 -5.268 -26.008 -0.005
59 HA PRO 9 HA PRO 9 -5.886 -17.191 -2.245
60 1HB PRO 9 2HB PRO 9 -6.445 -16.212 0.200
61 2HB PRO 9 1HB PRO 9 -7.682 -16.373 -1.052
62 1HG PRO 9 2HG PRO 9 -7.103 -18.154 1.283
63 2HG PRO 9 1HG PRO 9 -8.669 -17.612 0.650
64 1HD PRO 9 2HD PRO 9 -7.591 -20.066 0.118
65 2HD PRO 9 1HD PRO 9 -8.706 -19.227 -0.977
66 H SER 10 H SER 10 -3.721 -17.907 -2.377
67 HA SER 10 HA SER 10 -2.287 -18.516 0.075
68 1HB SER 10 2HB SER 10 -0.454 -18.242 -2.048
69 2HB SER 10 1HB SER 10 -1.073 -19.742 -1.357
70 HG SER 10 HG SER 10 -2.027 -18.303 -3.594
71 H HIS 11 H HIS 11 -1.747 -16.235 -2.611
72 HA HIS 11 HA HIS 11 -0.834 -14.157 -2.696
73 1HB HIS 11 2HB HIS 11 -2.779 -14.145 -0.658
74 2HB HIS 11 1HB HIS 11 -1.409 -13.234 -0.031
75 HD2 HIS 11 2HD HIS 11 -0.521 -11.219 -2.066
76 HE1 HIS 11 1HE HIS 11 -4.555 -10.663 -3.215
77 HE2 HIS 11 2HE HIS 11 -2.184 -9.797 -3.458
78 H ILE 12 H ILE 12 0.348 -12.498 -0.884
79 HA ILE 12 HA ILE 12 2.884 -13.825 -0.454
80 HB ILE 12 HB ILE 12 2.887 -11.590 -1.414
81 1HG1 ILE 12 2HG1 ILE 12 4.188 -10.444 0.656
82 2HG1 ILE 12 1HG1 ILE 12 4.151 -12.111 1.220
83 1HG2 ILE 12 1HG2 ILE 12 1.015 -11.076 0.740
84 2HG2 ILE 12 2HG2 ILE 12 1.278 -10.192 -0.764
85 3HG2 ILE 12 3HG2 ILE 12 2.280 -9.850 0.648
86 1HD1 ILE 12 1HD1 ILE 12 6.162 -11.283 -0.161
87 2HD1 ILE 12 2HD1 ILE 12 5.084 -11.485 -1.543
88 3HD1 ILE 12 3HD1 ILE 12 5.468 -12.866 -0.514
89 H SER 13 H SER 13 4.021 -13.827 1.554
90 HA SER 13 HA SER 13 2.541 -14.627 3.782
91 1HB SER 13 2HB SER 13 5.145 -14.790 3.167
92 2HB SER 13 1HB SER 13 5.216 -13.390 4.237
93 HG SER 13 HG SER 13 5.292 -15.778 5.046
94 H LYS 14 H LYS 14 4.017 -11.506 2.980
95 HA LYS 14 HA LYS 14 1.993 -10.077 4.407
96 1HB LYS 14 2HB LYS 14 3.402 -9.000 6.065
97 2HB LYS 14 1HB LYS 14 3.442 -10.742 6.292
98 1HG LYS 14 2HG LYS 14 5.583 -10.491 4.729
99 2HG LYS 14 1HG LYS 14 5.584 -8.884 5.460
100 1HD LYS 14 2HD LYS 14 5.091 -10.730 7.537
101 2HD LYS 14 1HD LYS 14 6.429 -11.375 6.584
102 1HE LYS 14 2HE LYS 14 6.970 -8.655 6.830
103 2HE LYS 14 1HE LYS 14 6.373 -9.139 8.417
104 1HZ LYS 14 1HZ LYS 14 8.138 -11.111 7.571
105 2HZ LYS 14 2HZ LYS 14 8.359 -9.995 8.821
106 3HZ LYS 14 3HZ LYS 14 8.893 -9.630 7.258
107 H TYR 15 H TYR 15 1.896 -7.928 3.813
108 HA TYR 15 HA TYR 15 3.740 -7.127 1.670
109 1HB TYR 15 2HB TYR 15 0.904 -6.996 1.950
110 2HB TYR 15 1HB TYR 15 1.516 -5.348 1.886
111 HD1 TYR 15 1HD TYR 15 0.413 -8.058 -0.028
112 HD2 TYR 15 2HD TYR 15 3.281 -4.917 -0.047
113 HE1 TYR 15 1HE TYR 15 0.571 -8.228 -2.475
114 HE2 TYR 15 2HE TYR 15 3.448 -5.075 -2.497
115 HH TYR 15 HH TYR 15 1.611 -7.518 -4.307
116 H ILE 16 H ILE 16 4.437 -4.886 1.582
117 HA ILE 16 HA ILE 16 4.494 -3.618 4.239
118 HB ILE 16 HB ILE 16 6.729 -4.460 2.726
119 1HG1 ILE 16 2HG1 ILE 16 6.524 -4.357 5.186
120 2HG1 ILE 16 1HG1 ILE 16 7.981 -3.548 4.619
121 1HG2 ILE 16 1HG2 ILE 16 7.930 -2.176 2.651
122 2HG2 ILE 16 2HG2 ILE 16 6.312 -1.466 2.646
123 3HG2 ILE 16 3HG2 ILE 16 6.806 -2.552 1.347
124 1HD1 ILE 16 1HD1 ILE 16 6.683 -1.385 4.771
125 2HD1 ILE 16 2HD1 ILE 16 7.073 -2.176 6.300
126 3HD1 ILE 16 3HD1 ILE 16 5.445 -2.302 5.632
127 H LEU 17 H LEU 17 4.433 -1.417 4.349
128 HA LEU 17 HA LEU 17 3.959 0.009 1.849
129 1HB LEU 17 2HB LEU 17 1.942 -0.583 3.680
130 2HB LEU 17 1HB LEU 17 2.375 1.082 4.025
131 HG LEU 17 HG LEU 17 2.128 0.701 1.180
132 1HD1 LEU 17 1HD1 LEU 17 -0.138 -0.261 2.898
133 2HD1 LEU 17 2HD1 LEU 17 0.590 -1.038 1.493
134 3HD1 LEU 17 3HD1 LEU 17 -0.405 0.403 1.286
135 1HD2 LEU 17 1HD2 LEU 17 1.832 2.721 2.944
136 2HD2 LEU 17 2HD2 LEU 17 0.144 2.297 2.663
137 3HD2 LEU 17 3HD2 LEU 17 1.179 2.740 1.306
138 H ARG 18 H ARG 18 5.602 1.316 1.750
139 HA ARG 18 HA ARG 18 6.398 2.788 4.166
140 1HB ARG 18 2HB ARG 18 8.130 2.027 1.796
141 2HB ARG 18 1HB ARG 18 8.656 2.959 3.192
142 1HG ARG 18 2HG ARG 18 8.895 1.136 4.486
143 2HG ARG 18 1HG ARG 18 7.488 0.327 3.793
144 1HD ARG 18 2HD ARG 18 8.694 -0.650 2.130
145 2HD ARG 18 1HD ARG 18 9.849 0.679 2.039
146 HE ARG 18 HE ARG 18 9.917 -1.133 4.342
147 1HH1 ARG 18 1HH1 ARG 18 11.401 0.140 1.458
148 2HH1 ARG 18 2HH1 ARG 18 12.955 -0.541 1.802
149 1HH2 ARG 18 1HH2 ARG 18 11.959 -2.037 4.799
150 2HH2 ARG 18 2HH2 ARG 18 13.271 -1.778 3.699
151 H TRP 19 H TRP 19 6.109 4.977 3.999
152 HA TRP 19 HA TRP 19 6.283 6.169 1.388
153 1HB TRP 19 2HB TRP 19 4.073 6.574 0.918
154 2HB TRP 19 1HB TRP 19 4.004 4.975 1.641
155 HD1 TRP 19 HD TRP 19 2.832 8.495 2.078
156 HE1 TRP 19 1HE TRP 19 1.197 8.623 4.072
157 HE3 TRP 19 3HE TRP 19 3.555 3.829 3.997
158 HZ2 TRP 19 2HZ TRP 19 0.331 6.946 6.175
159 HZ3 TRP 19 3HZ TRP 19 2.286 3.158 5.996
160 HH2 TRP 19 HH TRP 19 0.708 4.687 7.061
161 H ARG 20 H ARG 20 6.082 8.327 1.237
162 HA ARG 20 HA ARG 20 5.767 10.023 3.556
163 1HB ARG 20 2HB ARG 20 8.074 11.105 2.571
164 2HB ARG 20 1HB ARG 20 8.000 10.058 3.972
165 1HG ARG 20 2HG ARG 20 9.781 9.466 2.375
166 2HG ARG 20 1HG ARG 20 8.638 8.158 2.683
167 1HD ARG 20 2HD ARG 20 8.343 7.981 0.501
168 2HD ARG 20 1HD ARG 20 7.590 9.575 0.525
169 HE ARG 20 HE ARG 20 10.186 8.911 -0.491
170 1HH1 ARG 20 1HH1 ARG 20 8.251 11.459 0.890
171 2HH1 ARG 20 2HH1 ARG 20 9.196 12.729 0.189
172 1HH2 ARG 20 1HH2 ARG 20 11.433 10.577 -1.416
173 2HH2 ARG 20 2HH2 ARG 20 11.003 12.229 -1.120
174 HA PRO 21 HA PRO 21 4.123 12.818 0.574
175 1HB PRO 21 2HB PRO 21 6.032 14.918 1.321
176 2HB PRO 21 1HB PRO 21 4.274 14.953 1.319
177 1HG PRO 21 2HG PRO 21 5.629 14.807 3.607
178 2HG PRO 21 1HG PRO 21 4.107 13.932 3.366
179 1HD PRO 21 2HD PRO 21 6.909 12.900 3.338
180 2HD PRO 21 1HD PRO 21 5.431 12.138 3.964
181 H LYS 22 H LYS 22 4.548 12.228 -1.434
182 HA LYS 22 HA LYS 22 6.674 11.623 -2.865
183 1HB LYS 22 2HB LYS 22 4.500 11.674 -3.831
184 2HB LYS 22 1HB LYS 22 4.429 13.427 -3.729
185 1HG LYS 22 2HG LYS 22 4.894 12.414 -6.000
186 2HG LYS 22 1HG LYS 22 5.974 13.703 -5.473
187 1HD LYS 22 2HD LYS 22 7.418 11.700 -4.584
188 2HD LYS 22 1HD LYS 22 6.489 10.771 -5.761
189 1HE LYS 22 2HE LYS 22 7.424 11.840 -7.551
190 2HE LYS 22 1HE LYS 22 7.701 13.332 -6.654
191 1HZ LYS 22 1HZ LYS 22 9.246 10.830 -6.237
192 2HZ LYS 22 2HZ LYS 22 9.566 12.348 -5.562
193 3HZ LYS 22 3HZ LYS 22 9.755 12.107 -7.225
194 H ASN 23 H ASN 23 5.717 15.025 -2.328
195 HA ASN 23 HA ASN 23 8.222 15.916 -3.543
196 1HB ASN 23 2HB ASN 23 5.593 16.959 -3.455
197 2HB ASN 23 1HB ASN 23 6.619 18.089 -2.576
198 1HD2 ASN 23 1HD2 ASN 23 7.061 19.705 -3.887
199 2HD2 ASN 23 2HD2 ASN 23 7.602 19.568 -5.522
200 H SER 24 H SER 24 6.453 16.204 -0.474
201 HA SER 24 HA SER 24 8.593 17.677 0.768
202 1HB SER 24 2HB SER 24 5.861 17.109 1.367
203 2HB SER 24 1HB SER 24 6.844 16.575 2.731
204 HG SER 24 HG SER 24 6.115 19.022 2.182
205 H VAL 25 H VAL 25 10.341 16.227 0.413
206 HA VAL 25 HA VAL 25 10.382 13.575 1.408
207 HB VAL 25 HB VAL 25 11.931 14.405 -0.334
208 1HG1 VAL 25 1HG1 VAL 25 12.754 16.459 0.119
209 2HG1 VAL 25 2HG1 VAL 25 14.051 15.531 0.874
210 3HG1 VAL 25 3HG1 VAL 25 12.750 16.194 1.863
211 1HG2 VAL 25 1HG2 VAL 25 12.538 12.720 1.878
212 2HG2 VAL 25 2HG2 VAL 25 14.005 13.575 1.402
213 3HG2 VAL 25 3HG2 VAL 25 13.120 12.615 0.216
214 H GLY 26 H GLY 26 11.268 12.726 3.286
215 1HA GLY 26 2HA GLY 26 12.585 14.264 5.267
216 2HA GLY 26 1HA GLY 26 10.878 14.122 5.661
217 H ARG 27 H ARG 27 10.010 12.081 6.164
218 HA ARG 27 HA ARG 27 11.960 9.919 6.550
219 1HB ARG 27 2HB ARG 27 10.227 11.226 8.602
220 2HB ARG 27 1HB ARG 27 10.539 9.501 8.738
221 1HG ARG 27 2HG ARG 27 12.523 9.888 9.631
222 2HG ARG 27 1HG ARG 27 12.998 10.870 8.243
223 1HD ARG 27 2HD ARG 27 11.282 11.937 10.470
224 2HD ARG 27 1HD ARG 27 13.043 12.000 10.521
225 HE ARG 27 HE ARG 27 12.290 13.108 8.102
226 1HH1 ARG 27 1HH1 ARG 27 11.805 13.770 11.489
227 2HH1 ARG 27 2HH1 ARG 27 11.655 15.481 11.265
228 1HH2 ARG 27 1HH2 ARG 27 12.096 15.361 7.799
229 2HH2 ARG 27 2HH2 ARG 27 11.822 16.385 9.169
230 H TRP 28 H TRP 28 11.272 8.058 5.730
231 HA TRP 28 HA TRP 28 8.749 7.770 4.505
232 1HB TRP 28 2HB TRP 28 10.922 5.803 5.214
233 2HB TRP 28 1HB TRP 28 9.429 5.292 4.434
234 HD1 TRP 28 HD TRP 28 12.552 7.438 3.771
235 HE1 TRP 28 1HE TRP 28 12.843 7.673 1.227
236 HE3 TRP 28 3HE TRP 28 8.225 5.185 2.240
237 HZ2 TRP 28 2HZ TRP 28 11.433 6.990 -1.121
238 HZ3 TRP 28 3HZ TRP 28 7.767 5.026 -0.174
239 HH2 TRP 28 HH TRP 28 9.341 5.906 -1.816
240 H LYS 29 H LYS 29 7.338 5.790 4.997
241 HA LYS 29 HA LYS 29 6.890 5.605 7.912
242 1HB LYS 29 2HB LYS 29 4.981 6.114 5.678
243 2HB LYS 29 1HB LYS 29 4.427 5.103 7.005
244 1HG LYS 29 2HG LYS 29 5.443 7.122 8.421
245 2HG LYS 29 1HG LYS 29 5.029 7.993 6.944
246 1HD LYS 29 2HD LYS 29 2.816 7.807 7.306
247 2HD LYS 29 1HD LYS 29 2.955 6.155 7.906
248 1HE LYS 29 2HE LYS 29 3.834 7.065 10.042
249 2HE LYS 29 1HE LYS 29 3.524 8.691 9.432
250 1HZ LYS 29 1HZ LYS 29 1.246 6.960 9.225
251 2HZ LYS 29 2HZ LYS 29 1.365 8.511 9.888
252 3HZ LYS 29 3HZ LYS 29 1.767 7.159 10.821
253 H GLU 30 H GLU 30 5.736 3.535 8.543
254 HA GLU 30 HA GLU 30 6.300 1.368 6.635
255 1HB GLU 30 2HB GLU 30 6.984 1.212 9.570
256 2HB GLU 30 1HB GLU 30 7.327 0.009 8.335
257 1HG GLU 30 2HG GLU 30 8.594 2.127 7.277
258 2HG GLU 30 1HG GLU 30 8.736 2.507 8.993
259 H ALA 31 H ALA 31 4.637 0.084 6.334
260 HA ALA 31 HA ALA 31 2.815 -0.525 8.536
261 1HB ALA 31 1HB ALA 31 1.100 -0.245 6.370
262 2HB ALA 31 2HB ALA 31 2.151 1.168 6.283
263 3HB ALA 31 3HB ALA 31 1.236 0.839 7.754
264 H THR 32 H THR 32 2.933 -2.695 8.657
265 HA THR 32 HA THR 32 3.261 -4.229 6.181
266 HB THR 32 HB THR 32 3.312 -5.568 8.844
267 HG1 THR 32 1HG THR 32 5.261 -4.753 9.358
268 1HG2 THR 32 1HG2 THR 32 3.666 -6.545 6.413
269 2HG2 THR 32 2HG2 THR 32 4.622 -7.129 7.777
270 3HG2 THR 32 3HG2 THR 32 5.307 -5.949 6.660
271 H ILE 33 H ILE 33 1.547 -5.074 5.257
272 HA ILE 33 HA ILE 33 -0.656 -6.064 6.933
273 HB ILE 33 HB ILE 33 -1.453 -5.001 4.304
274 1HG1 ILE 33 2HG1 ILE 33 -1.524 -2.772 6.079
275 2HG1 ILE 33 1HG1 ILE 33 0.135 -3.359 6.015
276 1HG2 ILE 33 1HG2 ILE 33 -2.586 -5.559 6.895
277 2HG2 ILE 33 2HG2 ILE 33 -3.383 -5.368 5.333
278 3HG2 ILE 33 3HG2 ILE 33 -3.043 -3.951 6.329
279 1HD1 ILE 33 1HD1 ILE 33 -0.503 -1.577 4.353
280 2HD1 ILE 33 2HD1 ILE 33 -1.475 -2.807 3.547
281 3HD1 ILE 33 3HD1 ILE 33 0.269 -3.019 3.695
282 HA PRO 34 HA PRO 34 0.548 -9.790 4.685
283 1HB PRO 34 2HB PRO 34 -2.162 -10.527 5.707
284 2HB PRO 34 1HB PRO 34 -0.659 -11.457 5.727
285 1HG PRO 34 2HG PRO 34 -1.522 -10.246 7.933
286 2HG PRO 34 1HG PRO 34 0.204 -10.279 7.530
287 1HD PRO 34 2HD PRO 34 -1.742 -8.035 7.346
288 2HD PRO 34 1HD PRO 34 -0.001 -7.998 7.691
289 H GLY 35 H GLY 35 -0.263 -11.023 2.905
290 1HA GLY 35 2HA GLY 35 -1.335 -9.536 0.836
291 2HA GLY 35 1HA GLY 35 -1.280 -11.289 0.873
292 H HIS 36 H HIS 36 -3.233 -8.538 0.939
293 HA HIS 36 HA HIS 36 -5.464 -8.149 1.232
294 1HB HIS 36 2HB HIS 36 -5.056 -9.880 -0.806
295 2HB HIS 36 1HB HIS 36 -6.167 -10.820 0.184
296 HD2 HIS 36 2HD HIS 36 -7.969 -8.116 1.096
297 HE1 HIS 36 1HE HIS 36 -8.758 -8.043 -3.060
298 HE2 HIS 36 2HE HIS 36 -9.600 -7.354 -0.770
299 H LEU 37 H LEU 37 -4.347 -9.196 3.610
300 HA LEU 37 HA LEU 37 -6.004 -11.291 4.623
301 1HB LEU 37 2HB LEU 37 -4.915 -10.996 6.695
302 2HB LEU 37 1HB LEU 37 -3.702 -10.739 5.462
303 HG LEU 37 HG LEU 37 -3.220 -9.087 7.009
304 1HD1 LEU 37 1HD1 LEU 37 -4.278 -6.911 6.059
305 2HD1 LEU 37 2HD1 LEU 37 -4.917 -7.990 4.820
306 3HD1 LEU 37 3HD1 LEU 37 -3.175 -7.868 5.070
307 1HD2 LEU 37 1HD2 LEU 37 -5.571 -7.647 7.534
308 2HD2 LEU 37 2HD2 LEU 37 -4.645 -8.658 8.643
309 3HD2 LEU 37 3HD2 LEU 37 -5.976 -9.354 7.720
310 H ASN 38 H ASN 38 -6.437 -7.970 4.132
311 HA ASN 38 HA ASN 38 -9.108 -7.995 5.036
312 1HB ASN 38 2HB ASN 38 -9.078 -6.855 7.039
313 2HB ASN 38 1HB ASN 38 -7.600 -7.797 7.198
314 1HD2 ASN 38 1HD2 ASN 38 -8.969 -4.715 7.169
315 2HD2 ASN 38 2HD2 ASN 38 -7.507 -3.795 7.226
316 H SER 39 H SER 39 -10.049 -5.702 4.995
317 HA SER 39 HA SER 39 -9.056 -4.417 2.603
318 1HB SER 39 2HB SER 39 -11.496 -3.970 4.324
319 2HB SER 39 1HB SER 39 -11.100 -2.939 2.950
320 HG SER 39 HG SER 39 -12.091 -4.396 1.818
321 H TYR 40 H TYR 40 -7.356 -3.113 2.849
322 HA TYR 40 HA TYR 40 -7.424 -1.148 5.043
323 1HB TYR 40 2HB TYR 40 -5.581 -2.692 5.354
324 2HB TYR 40 1HB TYR 40 -5.035 -2.433 3.701
325 HD1 TYR 40 1HD TYR 40 -5.356 -0.869 7.030
326 HD2 TYR 40 2HD TYR 40 -3.660 -0.567 3.141
327 HE1 TYR 40 1HE TYR 40 -3.904 0.954 7.813
328 HE2 TYR 40 2HE TYR 40 -2.202 1.258 3.913
329 HH TYR 40 HH TYR 40 -2.607 2.744 7.021
330 H THR 41 H THR 41 -7.749 0.866 4.403
331 HA THR 41 HA THR 41 -6.935 1.639 1.676
332 HB THR 41 HB THR 41 -9.161 2.879 3.301
333 HG1 THR 41 1HG THR 41 -9.141 0.773 1.419
334 1HG2 THR 41 1HG2 THR 41 -9.521 3.284 0.548
335 2HG2 THR 41 2HG2 THR 41 -7.818 3.620 0.866
336 3HG2 THR 41 3HG2 THR 41 -9.069 4.486 1.758
337 H ILE 42 H ILE 42 -5.954 3.642 1.362
338 HA ILE 42 HA ILE 42 -4.690 4.748 3.754
339 HB ILE 42 HB ILE 42 -4.087 5.360 0.859
340 1HG1 ILE 42 2HG1 ILE 42 -2.008 3.903 2.168
341 2HG1 ILE 42 1HG1 ILE 42 -3.519 3.025 2.390
342 1HG2 ILE 42 1HG2 ILE 42 -3.309 6.630 3.258
343 2HG2 ILE 42 2HG2 ILE 42 -2.736 6.944 1.620
344 3HG2 ILE 42 3HG2 ILE 42 -1.899 5.772 2.638
345 1HD1 ILE 42 1HD1 ILE 42 -1.864 3.277 0.049
346 2HD1 ILE 42 2HD1 ILE 42 -3.523 3.769 -0.285
347 3HD1 ILE 42 3HD1 ILE 42 -3.195 2.167 0.375
348 H LYS 43 H LYS 43 -5.530 6.464 4.695
349 HA LYS 43 HA LYS 43 -6.719 8.571 3.032
350 1HB LYS 43 2HB LYS 43 -7.914 7.998 5.713
351 2HB LYS 43 1HB LYS 43 -8.645 8.752 4.304
352 1HG LYS 43 2HG LYS 43 -8.020 6.111 3.565
353 2HG LYS 43 1HG LYS 43 -8.768 6.034 5.162
354 1HD LYS 43 2HD LYS 43 -9.997 7.746 3.045
355 2HD LYS 43 1HD LYS 43 -10.247 5.999 3.001
356 1HE LYS 43 2HE LYS 43 -10.745 7.605 5.488
357 2HE LYS 43 1HE LYS 43 -11.977 7.428 4.239
358 1HZ LYS 43 1HZ LYS 43 -10.729 4.961 5.111
359 2HZ LYS 43 2HZ LYS 43 -12.356 5.301 4.794
360 3HZ LYS 43 3HZ LYS 43 -11.674 5.740 6.279
361 H GLY 44 H GLY 44 -4.292 9.060 3.554
362 1HA GLY 44 2HA GLY 44 -4.220 10.626 6.059
363 2HA GLY 44 1HA GLY 44 -2.812 9.821 5.385
364 H LEU 45 H LEU 45 -3.956 10.745 2.646
365 HA LEU 45 HA LEU 45 -2.540 13.293 2.705
366 1HB LEU 45 2HB LEU 45 -3.482 12.681 0.074
367 2HB LEU 45 1HB LEU 45 -1.839 12.801 0.657
368 HG LEU 45 HG LEU 45 -2.109 10.705 -0.414
369 1HD1 LEU 45 1HD1 LEU 45 -0.648 10.421 1.365
370 2HD1 LEU 45 2HD1 LEU 45 -1.796 9.096 1.552
371 3HD1 LEU 45 3HD1 LEU 45 -1.934 10.532 2.566
372 1HD2 LEU 45 1HD2 LEU 45 -4.123 9.788 -0.534
373 2HD2 LEU 45 2HD2 LEU 45 -4.708 10.779 0.803
374 3HD2 LEU 45 3HD2 LEU 45 -3.913 9.239 1.129
375 H LYS 46 H LYS 46 -3.433 15.229 2.275
376 HA LYS 46 HA LYS 46 -6.359 15.271 2.083
377 1HB LYS 46 2HB LYS 46 -6.343 17.360 3.182
378 2HB LYS 46 1HB LYS 46 -5.143 16.401 4.032
379 1HG LYS 46 2HG LYS 46 -3.372 17.579 3.092
380 2HG LYS 46 1HG LYS 46 -4.378 18.258 1.813
381 1HD LYS 46 2HD LYS 46 -5.671 19.305 3.853
382 2HD LYS 46 1HD LYS 46 -4.127 19.056 4.671
383 1HE LYS 46 2HE LYS 46 -3.131 20.215 2.569
384 2HE LYS 46 1HE LYS 46 -4.775 20.808 2.336
385 1HZ LYS 46 1HZ LYS 46 -4.713 21.960 4.354
386 2HZ LYS 46 2HZ LYS 46 -3.207 22.268 3.649
387 3HZ LYS 46 3HZ LYS 46 -3.339 21.137 4.901
388 HA PRO 47 HA PRO 47 -6.528 16.993 -1.922
389 1HB PRO 47 2HB PRO 47 -7.977 19.370 -0.952
390 2HB PRO 47 1HB PRO 47 -8.454 18.154 -2.141
391 1HG PRO 47 2HG PRO 47 -9.536 18.238 0.319
392 2HG PRO 47 1HG PRO 47 -9.275 16.718 -0.556
393 1HD PRO 47 2HD PRO 47 -7.744 17.890 1.712
394 2HD PRO 47 1HD PRO 47 -8.072 16.189 1.325
395 H GLY 48 H GLY 48 -4.391 17.469 -2.289
396 1HA GLY 48 2HA GLY 48 -3.436 19.650 -3.278
397 2HA GLY 48 1HA GLY 48 -3.468 20.174 -1.601
398 H VAL 49 H VAL 49 -2.817 17.068 -1.192
399 HA VAL 49 HA VAL 49 0.088 17.438 -1.533
400 HB VAL 49 HB VAL 49 -0.567 15.513 0.512
401 1HG1 VAL 49 1HG1 VAL 49 1.095 16.729 1.754
402 2HG1 VAL 49 2HG1 VAL 49 0.985 18.090 0.638
403 3HG1 VAL 49 3HG1 VAL 49 1.635 16.545 0.083
404 1HG2 VAL 49 1HG2 VAL 49 -1.939 18.122 0.605
405 2HG2 VAL 49 2HG2 VAL 49 -1.127 17.609 2.085
406 3HG2 VAL 49 3HG2 VAL 49 -2.364 16.582 1.355
407 H VAL 50 H VAL 50 1.293 15.835 -2.328
408 HA VAL 50 HA VAL 50 -0.086 13.349 -3.108
409 HB VAL 50 HB VAL 50 0.566 14.474 -5.107
410 1HG1 VAL 50 1HG1 VAL 50 3.211 14.912 -3.744
411 2HG1 VAL 50 2HG1 VAL 50 2.072 16.123 -4.329
412 3HG1 VAL 50 3HG1 VAL 50 2.973 15.133 -5.476
413 1HG2 VAL 50 1HG2 VAL 50 1.778 12.012 -4.327
414 2HG2 VAL 50 2HG2 VAL 50 2.885 12.883 -5.388
415 3HG2 VAL 50 3HG2 VAL 50 1.244 12.526 -5.928
416 H TYR 51 H TYR 51 0.526 11.661 -1.894
417 HA TYR 51 HA TYR 51 3.175 11.746 -0.624
418 1HB TYR 51 2HB TYR 51 0.654 10.259 0.092
419 2HB TYR 51 1HB TYR 51 2.208 9.911 0.841
420 HD1 TYR 51 1HD TYR 51 -0.143 12.721 0.210
421 HD2 TYR 51 2HD TYR 51 2.831 11.071 2.759
422 HE1 TYR 51 1HE TYR 51 -0.573 14.494 1.843
423 HE2 TYR 51 2HE TYR 51 2.414 12.851 4.406
424 HH TYR 51 HH TYR 51 -0.151 15.245 3.911
425 H GLU 52 H GLU 52 4.723 10.425 -1.308
426 HA GLU 52 HA GLU 52 4.138 8.464 -3.325
427 1HB GLU 52 2HB GLU 52 6.168 9.694 -3.603
428 2HB GLU 52 1HB GLU 52 6.683 9.332 -1.962
429 1HG GLU 52 2HG GLU 52 7.385 7.234 -2.491
430 2HG GLU 52 1HG GLU 52 6.231 7.060 -3.812
431 H GLY 53 H GLY 53 3.731 6.386 -2.991
432 1HA GLY 53 2HA GLY 53 4.269 5.288 -0.305
433 2HA GLY 53 1HA GLY 53 2.928 4.793 -1.324
434 H GLN 54 H GLN 54 4.856 3.042 -0.110
435 HA GLN 54 HA GLN 54 5.987 1.918 -2.584
436 1HB GLN 54 2HB GLN 54 7.754 3.035 -1.207
437 2HB GLN 54 1HB GLN 54 7.400 1.894 0.084
438 1HG GLN 54 2HG GLN 54 8.000 0.045 -1.411
439 2HG GLN 54 1HG GLN 54 8.409 1.215 -2.666
440 1HE2 GLN 54 1HE2 GLN 54 10.526 0.302 -2.661
441 2HE2 GLN 54 2HE2 GLN 54 11.672 0.757 -1.451
442 H LEU 55 H LEU 55 5.025 0.051 -2.952
443 HA LEU 55 HA LEU 55 4.099 -1.558 -0.681
444 1HB LEU 55 2HB LEU 55 3.053 -0.982 -3.289
445 2HB LEU 55 1HB LEU 55 3.307 -2.711 -3.145
446 HG LEU 55 HG LEU 55 1.997 -2.532 -0.938
447 1HD1 LEU 55 1HD1 LEU 55 1.410 -0.490 -0.300
448 2HD1 LEU 55 2HD1 LEU 55 0.304 -0.444 -1.672
449 3HD1 LEU 55 3HD1 LEU 55 1.935 0.204 -1.834
450 1HD2 LEU 55 1HD2 LEU 55 0.538 -2.003 -3.522
451 2HD2 LEU 55 2HD2 LEU 55 -0.101 -2.808 -2.090
452 3HD2 LEU 55 3HD2 LEU 55 1.180 -3.570 -3.033
453 H ILE 56 H ILE 56 5.668 -2.878 0.001
454 HA ILE 56 HA ILE 56 7.188 -4.369 -2.030
455 HB ILE 56 HB ILE 56 8.048 -3.510 0.731
456 1HG1 ILE 56 2HG1 ILE 56 9.177 -2.903 -2.009
457 2HG1 ILE 56 1HG1 ILE 56 8.200 -1.804 -1.046
458 1HG2 ILE 56 1HG2 ILE 56 9.189 -5.445 0.741
459 2HG2 ILE 56 2HG2 ILE 56 10.266 -4.592 -0.364
460 3HG2 ILE 56 3HG2 ILE 56 9.026 -5.671 -1.001
461 1HD1 ILE 56 1HD1 ILE 56 9.933 -1.186 0.217
462 2HD1 ILE 56 2HD1 ILE 56 10.911 -1.857 -1.088
463 3HD1 ILE 56 3HD1 ILE 56 10.558 -2.830 0.340
464 H SER 57 H SER 57 6.759 -6.473 -2.134
465 HA SER 57 HA SER 57 5.233 -7.737 -0.033
466 1HB SER 57 2HB SER 57 6.364 -9.164 -2.432
467 2HB SER 57 1HB SER 57 4.916 -9.547 -1.499
468 HG SER 57 HG SER 57 4.516 -8.515 -3.558
469 H ILE 58 H ILE 58 5.937 -9.161 1.396
470 HA ILE 58 HA ILE 58 8.805 -9.793 1.435
471 HB ILE 58 HB ILE 58 6.948 -9.038 3.657
472 1HG1 ILE 58 2HG1 ILE 58 9.672 -8.167 3.896
473 2HG1 ILE 58 1HG1 ILE 58 9.095 -7.839 2.264
474 1HG2 ILE 58 1HG2 ILE 58 9.220 -9.786 4.974
475 2HG2 ILE 58 2HG2 ILE 58 9.050 -11.070 3.778
476 3HG2 ILE 58 3HG2 ILE 58 7.733 -10.732 4.900
477 1HD1 ILE 58 1HD1 ILE 58 8.705 -6.270 4.495
478 2HD1 ILE 58 2HD1 ILE 58 7.157 -7.089 4.282
479 3HD1 ILE 58 3HD1 ILE 58 7.843 -6.143 2.962
480 H GLN 59 H GLN 59 9.427 -11.845 1.589
481 HA GLN 59 HA GLN 59 7.365 -13.914 1.738
482 1HB GLN 59 2HB GLN 59 9.644 -13.622 0.156
483 2HB GLN 59 1HB GLN 59 10.077 -14.870 1.316
484 1HG GLN 59 2HG GLN 59 7.428 -15.158 0.071
485 2HG GLN 59 1HG GLN 59 8.809 -15.339 -1.009
486 1HE2 GLN 59 1HE2 GLN 59 10.643 -16.660 0.206
487 2HE2 GLN 59 2HE2 GLN 59 10.095 -18.170 0.841
488 H GLN 60 H GLN 60 8.563 -16.059 2.735
489 HA GLN 60 HA GLN 60 8.539 -15.650 5.510
490 1HB GLN 60 2HB GLN 60 9.473 -17.981 5.625
491 2HB GLN 60 1HB GLN 60 8.010 -17.819 4.663
492 1HG GLN 60 2HG GLN 60 9.088 -18.916 3.067
493 2HG GLN 60 1HG GLN 60 10.033 -17.446 2.827
494 1HE2 GLN 60 1HE2 GLN 60 10.045 -20.691 3.884
495 2HE2 GLN 60 2HE2 GLN 60 11.712 -20.785 4.327
496 H TYR 61 H TYR 61 11.108 -15.492 3.174
497 HA TYR 61 HA TYR 61 13.095 -15.267 5.323
498 1HB TYR 61 2HB TYR 61 14.768 -15.817 3.772
499 2HB TYR 61 1HB TYR 61 13.421 -16.857 3.326
500 HD1 TYR 61 1HD TYR 61 15.731 -14.366 2.208
501 HD2 TYR 61 2HD TYR 61 11.944 -16.118 1.376
502 HE1 TYR 61 1HE TYR 61 15.846 -13.507 -0.093
503 HE2 TYR 61 2HE TYR 61 12.050 -15.263 -0.928
504 HH TYR 61 HH TYR 61 14.854 -14.110 -2.333
505 H GLY 62 H GLY 62 11.131 -13.357 3.468
506 1HA GLY 62 2HA GLY 62 11.096 -10.994 3.703
507 2HA GLY 62 1HA GLY 62 12.829 -11.023 3.984
508 H HIS 63 H HIS 63 11.305 -9.357 2.155
509 HA HIS 63 HA HIS 63 11.542 -8.452 0.086
510 1HB HIS 63 2HB HIS 63 14.016 -9.265 0.643
511 2HB HIS 63 1HB HIS 63 13.697 -10.354 -0.701
512 HD2 HIS 63 2HD HIS 63 12.975 -6.477 -0.352
513 HE1 HIS 63 1HE HIS 63 15.101 -7.276 -3.924
514 HE2 HIS 63 2HE HIS 63 14.155 -5.461 -2.428
515 H GLN 64 H GLN 64 10.310 -8.722 -1.658
516 HA GLN 64 HA GLN 64 10.172 -11.246 -3.044
517 1HB GLN 64 2HB GLN 64 8.068 -10.393 -1.180
518 2HB GLN 64 1HB GLN 64 7.492 -10.866 -2.771
519 1HG GLN 64 2HG GLN 64 8.959 -12.494 -0.743
520 2HG GLN 64 1HG GLN 64 7.397 -12.809 -1.496
521 1HE2 GLN 64 1HE2 GLN 64 10.429 -13.888 -1.387
522 2HE2 GLN 64 2HE2 GLN 64 10.600 -14.534 -2.980
523 H GLU 65 H GLU 65 8.524 -8.133 -2.613
524 HA GLU 65 HA GLU 65 8.821 -7.600 -5.474
525 1HB GLU 65 2HB GLU 65 6.492 -8.622 -4.618
526 2HB GLU 65 1HB GLU 65 6.189 -6.925 -4.271
527 1HG GLU 65 2HG GLU 65 6.191 -6.327 -6.481
528 2HG GLU 65 1HG GLU 65 7.236 -7.666 -6.956
529 H VAL 66 H VAL 66 8.939 -5.405 -5.996
530 HA VAL 66 HA VAL 66 8.666 -3.506 -3.771
531 HB VAL 66 HB VAL 66 11.017 -3.551 -5.669
532 1HG1 VAL 66 1HG1 VAL 66 10.241 -1.667 -3.447
533 2HG1 VAL 66 2HG1 VAL 66 10.463 -1.287 -5.155
534 3HG1 VAL 66 3HG1 VAL 66 11.853 -1.725 -4.162
535 1HG2 VAL 66 1HG2 VAL 66 11.335 -3.789 -2.728
536 2HG2 VAL 66 2HG2 VAL 66 12.307 -4.472 -4.031
537 3HG2 VAL 66 3HG2 VAL 66 10.762 -5.208 -3.604
538 H THR 67 H THR 67 7.405 -1.855 -4.300
539 HA THR 67 HA THR 67 7.394 -0.893 -7.071
540 HB THR 67 HB THR 67 5.017 -1.834 -5.498
541 HG1 THR 67 1HG THR 67 6.022 -3.121 -7.181
542 1HG2 THR 67 1HG2 THR 67 5.135 0.623 -7.024
543 2HG2 THR 67 2HG2 THR 67 3.816 -0.034 -6.057
544 3HG2 THR 67 3HG2 THR 67 4.000 -0.519 -7.742
545 H ARG 68 H ARG 68 7.814 1.213 -7.088
546 HA ARG 68 HA ARG 68 7.074 2.826 -4.734
547 1HB ARG 68 2HB ARG 68 9.156 3.694 -6.705
548 2HB ARG 68 1HB ARG 68 8.981 4.127 -5.010
549 1HG ARG 68 2HG ARG 68 9.918 2.129 -4.273
550 2HG ARG 68 1HG ARG 68 9.649 1.324 -5.822
551 1HD ARG 68 2HD ARG 68 11.331 3.696 -6.031
552 2HD ARG 68 1HD ARG 68 12.009 2.456 -4.976
553 HE ARG 68 HE ARG 68 11.249 2.004 -7.790
554 1HH1 ARG 68 1HH1 ARG 68 13.248 1.357 -5.011
555 2HH1 ARG 68 2HH1 ARG 68 14.275 0.241 -5.849
556 1HH2 ARG 68 1HH2 ARG 68 12.592 0.538 -8.902
557 2HH2 ARG 68 2HH2 ARG 68 13.902 -0.224 -8.062
558 H PHE 69 H PHE 69 5.437 4.179 -5.052
559 HA PHE 69 HA PHE 69 5.293 5.791 -7.438
560 1HB PHE 69 2HB PHE 69 3.274 5.029 -8.330
561 2HB PHE 69 1HB PHE 69 4.129 3.544 -7.931
562 HD1 PHE 69 1HD PHE 69 3.623 2.625 -5.497
563 HD2 PHE 69 2HD PHE 69 1.076 5.219 -7.711
564 HE1 PHE 69 1HE PHE 69 1.703 1.885 -4.148
565 HE2 PHE 69 2HE PHE 69 -0.848 4.484 -6.365
566 HZ PHE 69 HZ PHE 69 -0.535 2.816 -4.580
567 H ASP 70 H ASP 70 4.315 7.722 -7.100
568 HA ASP 70 HA ASP 70 3.359 8.236 -4.406
569 1HB ASP 70 2HB ASP 70 3.523 10.605 -5.025
570 2HB ASP 70 1HB ASP 70 5.032 9.762 -5.362
571 H PHE 71 H PHE 71 1.319 8.728 -3.895
572 HA PHE 71 HA PHE 71 -0.620 9.156 -6.047
573 1HB PHE 71 2HB PHE 71 -2.106 7.487 -5.232
574 2HB PHE 71 1HB PHE 71 -0.522 6.721 -5.396
575 HD1 PHE 71 1HD PHE 71 -2.787 8.333 -2.861
576 HD2 PHE 71 2HD PHE 71 0.426 5.604 -3.604
577 HE1 PHE 71 1HE PHE 71 -2.880 7.562 -0.525
578 HE2 PHE 71 2HE PHE 71 0.326 4.853 -1.266
579 HZ PHE 71 HZ PHE 71 -1.327 5.829 0.273
580 H THR 72 H THR 72 -2.706 9.850 -5.270
581 HA THR 72 HA THR 72 -2.861 10.871 -2.583
582 HB THR 72 HB THR 72 -2.272 12.972 -3.087
583 HG1 THR 72 1HG THR 72 -3.864 14.144 -4.439
584 1HG2 THR 72 1HG2 THR 72 -1.422 11.805 -5.352
585 2HG2 THR 72 2HG2 THR 72 -1.307 13.541 -5.062
586 3HG2 THR 72 3HG2 THR 72 -2.637 12.892 -6.023
587 H THR 73 H THR 73 -4.905 10.711 -1.854
588 HA THR 73 HA THR 73 -7.010 9.831 -3.679
589 HB THR 73 HB THR 73 -6.634 8.932 -1.265
590 HG1 THR 73 1HG THR 73 -9.284 9.765 -1.465
591 1HG2 THR 73 1HG2 THR 73 -6.850 10.328 0.470
592 2HG2 THR 73 2HG2 THR 73 -8.434 10.854 -0.097
593 3HG2 THR 73 3HG2 THR 73 -6.980 11.667 -0.674
594 H THR 74 H THR 74 -5.583 12.470 -3.269
595 HA THR 74 HA THR 74 -7.875 14.268 -2.989
596 HB THR 74 HB THR 74 -6.622 15.419 -1.545
597 HG1 THR 74 1HG THR 74 -4.346 15.971 -2.250
598 1HG2 THR 74 1HG2 THR 74 -5.746 12.937 -1.239
599 2HG2 THR 74 2HG2 THR 74 -4.986 14.276 -0.375
600 3HG2 THR 74 3HG2 THR 74 -4.234 13.624 -1.839
601 H SER 75 H SER 75 -7.175 16.510 -4.004
602 HA SER 75 HA SER 75 -7.024 17.696 -5.938
603 1HB SER 75 2HB SER 75 -4.570 16.901 -5.296
604 2HB SER 75 1HB SER 75 -4.711 16.032 -6.825
605 HG SER 75 HG SER 75 -5.501 18.695 -6.825
606 H THR 76 H THR 76 -6.136 17.068 -8.491
607 HA THR 76 HA THR 76 -7.551 14.718 -9.424
608 HB THR 76 HB THR 76 -8.755 16.346 -11.138
609 HG1 THR 76 1HG THR 76 -7.778 18.047 -9.345
610 1HG2 THR 76 1HG2 THR 76 -10.132 16.306 -8.520
611 2HG2 THR 76 2HG2 THR 76 -9.608 14.748 -9.157
612 3HG2 THR 76 3HG2 THR 76 -10.691 15.767 -10.103
613 H SER 77 H SER 77 -5.671 14.008 -10.382
614 HA SER 77 HA SER 77 -5.022 15.123 -12.931
615 1HB SER 77 2HB SER 77 -3.272 15.686 -10.594
616 2HB SER 77 1HB SER 77 -2.487 15.253 -12.113
617 HG SER 77 HG SER 77 -2.956 17.160 -12.850
618 H THR 78 H THR 78 -2.499 14.062 -13.302
619 HA THR 78 HA THR 78 -2.248 11.415 -12.335
620 HB THR 78 HB THR 78 -2.587 10.811 -15.057
621 HG1 THR 78 1HG THR 78 -4.860 11.358 -15.259
622 1HG2 THR 78 1HG2 THR 78 -4.098 9.192 -14.216
623 2HG2 THR 78 2HG2 THR 78 -4.478 10.184 -12.804
624 3HG2 THR 78 3HG2 THR 78 -2.881 9.442 -12.959
625 HA PRO 79 HA PRO 79 1.725 11.981 -14.177
626 1HB PRO 79 2HB PRO 79 2.757 9.568 -13.993
627 2HB PRO 79 1HB PRO 79 2.135 10.361 -12.540
628 1HG PRO 79 2HG PRO 79 0.816 8.285 -14.245
629 2HG PRO 79 1HG PRO 79 0.967 8.345 -12.478
630 1HD PRO 79 2HD PRO 79 -1.237 9.217 -13.890
631 2HD PRO 79 1HD PRO 79 -0.801 9.774 -12.262
632 H GLY 80 H GLY 80 -0.675 10.511 -15.949
633 1HA GLY 80 2HA GLY 80 1.150 10.020 -18.223
634 2HA GLY 80 1HA GLY 80 -0.338 9.124 -17.966
635 H SER 81 H SER 81 -2.298 10.748 -17.684
636 HA SER 81 HA SER 81 -3.736 12.172 -18.710
637 1HB SER 81 2HB SER 81 -1.528 13.690 -18.198
638 2HB SER 81 1HB SER 81 -1.682 13.890 -19.944
639 HG SER 81 HG SER 81 -3.106 15.338 -19.382
640 H ARG 82 H ARG 82 -1.246 12.876 -21.092
641 HA ARG 82 HA ARG 82 -2.875 11.458 -23.091
642 1HB ARG 82 2HB ARG 82 -1.861 13.007 -24.747
643 2HB ARG 82 1HB ARG 82 -2.811 13.830 -23.518
644 1HG ARG 82 2HG ARG 82 -1.031 14.924 -22.687
645 2HG ARG 82 1HG ARG 82 0.055 13.553 -22.921
646 1HD ARG 82 2HD ARG 82 -0.563 14.309 -25.494
647 2HD ARG 82 1HD ARG 82 -0.465 15.849 -24.641
648 HE ARG 82 HE ARG 82 1.707 13.877 -24.871
649 1HH1 ARG 82 1HH1 ARG 82 0.578 17.098 -24.166
650 2HH1 ARG 82 2HH1 ARG 82 2.170 17.772 -24.063
651 1HH2 ARG 82 1HH2 ARG 82 3.807 14.757 -24.737
652 2HH2 ARG 82 2HH2 ARG 82 4.005 16.442 -24.388
653 H SER 83 H SER 83 -1.715 10.522 -24.926
654 HA SER 83 HA SER 83 1.009 9.643 -24.234
655 1HB SER 83 2HB SER 83 -0.879 7.913 -23.875
656 2HB SER 83 1HB SER 83 -0.956 7.841 -25.634
657 HG SER 83 HG SER 83 1.569 7.639 -25.077
658 H HIS 84 H HIS 84 -1.200 9.117 -26.974
659 HA HIS 84 HA HIS 84 0.809 10.369 -28.728
660 1HB HIS 84 2HB HIS 84 -0.699 7.795 -29.056
661 2HB HIS 84 1HB HIS 84 -0.171 8.693 -30.477
662 HD2 HIS 84 2HD HIS 84 2.239 7.926 -31.321
663 HE1 HIS 84 1HE HIS 84 3.704 6.494 -27.618
664 HE2 HIS 84 2HE HIS 84 4.135 6.633 -30.113
665 H HIS 85 H HIS 85 -2.297 9.012 -29.670
666 HA HIS 85 HA HIS 85 -3.420 11.703 -29.964
667 1HB HIS 85 2HB HIS 85 -2.704 9.842 -32.136
668 2HB HIS 85 1HB HIS 85 -4.331 10.507 -32.244
669 HD2 HIS 85 2HD HIS 85 -3.487 11.988 -34.482
670 HE1 HIS 85 1HE HIS 85 -1.074 14.606 -32.194
671 HE2 HIS 85 2HE HIS 85 -2.000 14.114 -34.503
672 H HIS 86 H HIS 86 -3.821 8.277 -29.606
673 HA HIS 86 HA HIS 86 -6.605 8.718 -28.795
674 1HB HIS 86 2HB HIS 86 -6.995 6.345 -29.843
675 2HB HIS 86 1HB HIS 86 -7.053 7.779 -30.864
676 HD2 HIS 86 2HD HIS 86 -6.234 6.441 -33.125
677 HE1 HIS 86 1HE HIS 86 -2.424 5.394 -31.609
678 HE2 HIS 86 2HE HIS 86 -3.958 5.300 -33.625
679 H HIS 87 H HIS 87 -7.235 6.102 -28.138
680 HA HIS 87 HA HIS 87 -5.463 5.682 -25.841
681 1HB HIS 87 2HB HIS 87 -8.038 6.013 -25.672
682 2HB HIS 87 1HB HIS 87 -8.126 4.338 -26.205
683 HD2 HIS 87 2HD HIS 87 -5.155 4.701 -23.925
684 HE1 HIS 87 1HE HIS 87 -8.419 3.556 -21.487
685 HE2 HIS 87 2HE HIS 87 -5.893 3.693 -21.652
686 H HIS 88 H HIS 88 -3.867 4.294 -26.319
687 HA HIS 88 HA HIS 88 -4.561 1.589 -27.040
688 1HB HIS 88 2HB HIS 88 -4.130 3.148 -29.178
689 2HB HIS 88 1HB HIS 88 -2.461 2.727 -28.810
690 HD2 HIS 88 2HD HIS 88 -5.021 -0.069 -28.165
691 HE1 HIS 88 1HE HIS 88 -3.069 -0.872 -31.833
692 HE2 HIS 88 2HE HIS 88 -4.500 -1.846 -29.981
693 H HIS 89 H HIS 89 -1.966 3.947 -26.530
694 HA HIS 89 HA HIS 89 0.039 3.817 -25.464
695 1HB HIS 89 2HB HIS 89 -1.884 2.421 -23.841
696 2HB HIS 89 1HB HIS 89 -0.304 1.666 -23.670
697 HD2 HIS 89 2HD HIS 89 -2.174 4.127 -21.815
698 HE1 HIS 89 1HE HIS 89 1.771 5.659 -21.797
699 HE2 HIS 89 2HE HIS 89 -0.567 5.923 -20.854
Start of MODEL 18
1 1H MET 1 1HT MET 1 5.188 -22.727 2.781
2 2H MET 1 2HT MET 1 4.343 -23.763 3.818
3 3H MET 1 3HT MET 1 5.506 -24.389 2.761
4 HA MET 1 HA MET 1 6.094 -22.490 4.957
5 1HB MET 1 2HB MET 1 5.274 -25.024 5.328
6 2HB MET 1 1HB MET 1 6.983 -25.323 5.040
7 1HG MET 1 2HG MET 1 7.567 -23.815 6.857
8 2HG MET 1 1HG MET 1 5.859 -23.478 7.136
9 1HE MET 1 1HE MET 1 6.343 -25.311 10.268
10 2HE MET 1 2HE MET 1 4.792 -25.017 9.481
11 3HE MET 1 3HE MET 1 6.075 -23.812 9.381
12 H ARG 2 H ARG 2 7.122 -24.413 2.237
13 HA ARG 2 HA ARG 2 9.896 -23.518 2.602
14 1HB ARG 2 2HB ARG 2 10.365 -25.206 0.765
15 2HB ARG 2 1HB ARG 2 9.835 -25.868 2.305
16 1HG ARG 2 2HG ARG 2 7.493 -25.888 1.297
17 2HG ARG 2 1HG ARG 2 8.291 -25.619 -0.254
18 1HD ARG 2 2HD ARG 2 7.866 -27.998 0.148
19 2HD ARG 2 1HD ARG 2 9.592 -27.650 0.040
20 HE ARG 2 HE ARG 2 9.687 -27.840 2.461
21 1HH1 ARG 2 1HH1 ARG 2 6.831 -29.072 0.888
22 2HH1 ARG 2 2HH1 ARG 2 6.418 -30.137 2.190
23 1HH2 ARG 2 1HH2 ARG 2 9.149 -29.238 4.178
24 2HH2 ARG 2 2HH2 ARG 2 7.735 -30.231 4.059
25 H GLY 3 H GLY 3 7.224 -23.574 0.294
26 1HA GLY 3 2HA GLY 3 6.846 -21.553 -1.023
27 2HA GLY 3 1HA GLY 3 8.591 -21.418 -1.192
28 H SER 4 H SER 4 7.944 -21.227 -3.501
29 HA SER 4 HA SER 4 8.418 -23.703 -4.836
30 1HB SER 4 2HB SER 4 6.234 -23.390 -6.254
31 2HB SER 4 1HB SER 4 6.159 -24.240 -4.710
32 HG SER 4 HG SER 4 5.487 -21.528 -5.207
33 H ASN 5 H ASN 5 7.695 -23.163 -7.379
34 HA ASN 5 HA ASN 5 9.536 -21.099 -8.108
35 1HB ASN 5 2HB ASN 5 7.635 -22.511 -9.977
36 2HB ASN 5 1HB ASN 5 9.199 -21.795 -10.355
37 1HD2 ASN 5 1HD2 ASN 5 11.009 -22.758 -8.897
38 2HD2 ASN 5 2HD2 ASN 5 11.035 -24.484 -8.829
39 H ALA 6 H ALA 6 6.303 -21.485 -9.509
40 HA ALA 6 HA ALA 6 5.387 -18.928 -8.583
41 1HB ALA 6 1HB ALA 6 6.953 -18.266 -10.382
42 2HB ALA 6 2HB ALA 6 5.285 -17.794 -10.707
43 3HB ALA 6 3HB ALA 6 5.981 -19.191 -11.527
44 HA PRO 7 HA PRO 7 2.084 -21.846 -10.024
45 1HB PRO 7 2HB PRO 7 1.279 -22.596 -7.453
46 2HB PRO 7 1HB PRO 7 2.300 -23.539 -8.537
47 1HG PRO 7 2HG PRO 7 3.052 -22.346 -6.078
48 2HG PRO 7 1HG PRO 7 4.110 -23.148 -7.247
49 1HD PRO 7 2HD PRO 7 3.619 -20.257 -6.812
50 2HD PRO 7 1HD PRO 7 5.057 -21.078 -7.455
51 H GLN 8 H GLN 8 2.286 -18.931 -8.787
52 HA GLN 8 HA GLN 8 0.858 -17.232 -8.297
53 1HB GLN 8 2HB GLN 8 -0.291 -18.671 -10.355
54 2HB GLN 8 1HB GLN 8 -1.596 -18.551 -9.182
55 1HG GLN 8 2HG GLN 8 -0.675 -16.003 -9.198
56 2HG GLN 8 1HG GLN 8 -0.371 -16.490 -10.865
57 1HE2 GLN 8 1HE2 GLN 8 -2.872 -16.411 -8.374
58 2HE2 GLN 8 2HE2 GLN 8 -4.200 -16.211 -9.459
59 HA PRO 9 HA PRO 9 -0.649 -19.273 -4.456
60 1HB PRO 9 2HB PRO 9 0.372 -17.448 -2.743
61 2HB PRO 9 1HB PRO 9 1.333 -18.780 -3.394
62 1HG PRO 9 2HG PRO 9 1.252 -15.913 -4.235
63 2HG PRO 9 1HG PRO 9 2.646 -16.994 -4.071
64 1HD PRO 9 2HD PRO 9 1.468 -16.400 -6.464
65 2HD PRO 9 1HD PRO 9 2.327 -17.920 -6.145
66 H SER 10 H SER 10 -2.213 -18.568 -2.900
67 HA SER 10 HA SER 10 -4.156 -16.807 -3.953
68 1HB SER 10 2HB SER 10 -3.879 -18.538 -1.609
69 2HB SER 10 1HB SER 10 -4.818 -17.081 -1.286
70 HG SER 10 HG SER 10 -6.329 -18.350 -2.101
71 H HIS 11 H HIS 11 -1.880 -16.496 -1.245
72 HA HIS 11 HA HIS 11 -1.993 -13.598 -1.547
73 1HB HIS 11 2HB HIS 11 -2.022 -13.528 1.076
74 2HB HIS 11 1HB HIS 11 -3.529 -13.652 0.178
75 HD2 HIS 11 2HD HIS 11 -1.583 -15.479 2.879
76 HE1 HIS 11 1HE HIS 11 -4.706 -18.041 1.614
77 HE2 HIS 11 2HE HIS 11 -2.821 -17.723 3.281
78 H ILE 12 H ILE 12 -0.310 -12.530 -0.141
79 HA ILE 12 HA ILE 12 2.172 -14.065 -0.359
80 HB ILE 12 HB ILE 12 2.201 -11.927 -1.472
81 1HG1 ILE 12 2HG1 ILE 12 3.847 -10.818 0.525
82 2HG1 ILE 12 1HG1 ILE 12 3.967 -12.563 0.722
83 1HG2 ILE 12 1HG2 ILE 12 0.712 -11.088 0.834
84 2HG2 ILE 12 2HG2 ILE 12 0.918 -10.282 -0.721
85 3HG2 ILE 12 3HG2 ILE 12 2.089 -10.016 0.570
86 1HD1 ILE 12 1HD1 ILE 12 4.192 -11.536 -2.033
87 2HD1 ILE 12 2HD1 ILE 12 5.059 -12.845 -1.229
88 3HD1 ILE 12 3HD1 ILE 12 5.521 -11.169 -0.932
89 H SER 13 H SER 13 3.706 -14.135 1.352
90 HA SER 13 HA SER 13 2.765 -14.726 3.873
91 1HB SER 13 2HB SER 13 5.502 -13.588 3.240
92 2HB SER 13 1HB SER 13 5.071 -14.558 4.648
93 HG SER 13 HG SER 13 5.798 -15.372 2.195
94 H LYS 14 H LYS 14 4.162 -11.666 2.728
95 HA LYS 14 HA LYS 14 2.424 -10.110 4.339
96 1HB LYS 14 2HB LYS 14 4.062 -9.119 5.854
97 2HB LYS 14 1HB LYS 14 3.932 -10.851 6.122
98 1HG LYS 14 2HG LYS 14 5.968 -11.092 4.634
99 2HG LYS 14 1HG LYS 14 6.148 -9.342 4.776
100 1HD LYS 14 2HD LYS 14 5.761 -10.213 7.385
101 2HD LYS 14 1HD LYS 14 6.817 -11.432 6.667
102 1HE LYS 14 2HE LYS 14 8.546 -10.055 6.866
103 2HE LYS 14 1HE LYS 14 7.733 -8.877 5.837
104 1HZ LYS 14 1HZ LYS 14 6.616 -8.788 8.419
105 2HZ LYS 14 2HZ LYS 14 7.447 -7.572 7.586
106 3HZ LYS 14 3HZ LYS 14 8.300 -8.667 8.551
107 H TYR 15 H TYR 15 2.430 -7.972 3.770
108 HA TYR 15 HA TYR 15 4.170 -7.235 1.514
109 1HB TYR 15 2HB TYR 15 1.361 -7.041 1.916
110 2HB TYR 15 1HB TYR 15 1.994 -5.400 1.907
111 HD1 TYR 15 1HD TYR 15 1.057 -8.230 -0.076
112 HD2 TYR 15 2HD TYR 15 3.382 -4.664 -0.110
113 HE1 TYR 15 1HE TYR 15 1.088 -8.281 -2.532
114 HE2 TYR 15 2HE TYR 15 3.427 -4.714 -2.567
115 HH TYR 15 HH TYR 15 1.629 -5.910 -4.414
116 H ILE 16 H ILE 16 4.947 -4.997 1.446
117 HA ILE 16 HA ILE 16 5.228 -3.879 4.152
118 HB ILE 16 HB ILE 16 7.280 -4.590 2.366
119 1HG1 ILE 16 2HG1 ILE 16 7.363 -4.554 4.836
120 2HG1 ILE 16 1HG1 ILE 16 8.730 -3.702 4.125
121 1HG2 ILE 16 1HG2 ILE 16 6.549 -2.159 1.459
122 2HG2 ILE 16 2HG2 ILE 16 8.224 -2.712 1.469
123 3HG2 ILE 16 3HG2 ILE 16 7.634 -1.664 2.760
124 1HD1 ILE 16 1HD1 ILE 16 6.516 -2.687 5.778
125 2HD1 ILE 16 2HD1 ILE 16 7.016 -1.651 4.441
126 3HD1 ILE 16 3HD1 ILE 16 8.192 -2.148 5.659
127 H LEU 17 H LEU 17 5.110 -1.697 4.432
128 HA LEU 17 HA LEU 17 4.298 -0.113 2.116
129 1HB LEU 17 2HB LEU 17 2.545 -0.939 4.112
130 2HB LEU 17 1HB LEU 17 2.957 0.708 4.555
131 HG LEU 17 HG LEU 17 2.433 0.811 1.810
132 1HD1 LEU 17 1HD1 LEU 17 -0.012 -0.385 2.942
133 2HD1 LEU 17 2HD1 LEU 17 1.296 -1.503 2.553
134 3HD1 LEU 17 3HD1 LEU 17 0.636 -0.447 1.303
135 1HD2 LEU 17 1HD2 LEU 17 1.186 2.543 2.472
136 2HD2 LEU 17 2HD2 LEU 17 1.749 2.162 4.099
137 3HD2 LEU 17 3HD2 LEU 17 0.198 1.540 3.535
138 H ARG 18 H ARG 18 5.882 1.259 1.939
139 HA ARG 18 HA ARG 18 6.801 2.670 4.340
140 1HB ARG 18 2HB ARG 18 8.869 2.678 2.380
141 2HB ARG 18 1HB ARG 18 8.895 1.946 3.980
142 1HG ARG 18 2HG ARG 18 7.578 0.037 2.796
143 2HG ARG 18 1HG ARG 18 8.339 0.700 1.346
144 1HD ARG 18 2HD ARG 18 9.902 -0.001 3.817
145 2HD ARG 18 1HD ARG 18 9.557 -1.184 2.552
146 HE ARG 18 HE ARG 18 10.652 0.825 1.154
147 1HH1 ARG 18 1HH1 ARG 18 11.655 -0.782 4.077
148 2HH1 ARG 18 2HH1 ARG 18 13.343 -0.519 3.796
149 1HH2 ARG 18 1HH2 ARG 18 12.873 1.177 0.776
150 2HH2 ARG 18 2HH2 ARG 18 14.037 0.595 1.920
151 H TRP 19 H TRP 19 6.534 4.826 4.165
152 HA TRP 19 HA TRP 19 6.689 6.050 1.559
153 1HB TRP 19 2HB TRP 19 4.481 6.385 1.100
154 2HB TRP 19 1HB TRP 19 4.370 4.854 1.955
155 HD1 TRP 19 HD TRP 19 3.631 8.569 2.362
156 HE1 TRP 19 1HE TRP 19 1.963 8.871 4.313
157 HE3 TRP 19 3HE TRP 19 3.562 3.773 4.102
158 HZ2 TRP 19 2HZ TRP 19 0.781 7.260 6.324
159 HZ3 TRP 19 3HZ TRP 19 2.143 3.230 6.036
160 HH2 TRP 19 HH TRP 19 0.782 4.940 7.124
161 H ARG 20 H ARG 20 6.138 8.288 1.506
162 HA ARG 20 HA ARG 20 5.949 9.764 3.955
163 1HB ARG 20 2HB ARG 20 8.020 10.862 3.906
164 2HB ARG 20 1HB ARG 20 8.445 9.189 3.572
165 1HG ARG 20 2HG ARG 20 7.981 11.150 1.356
166 2HG ARG 20 1HG ARG 20 9.542 11.021 2.169
167 1HD ARG 20 2HD ARG 20 9.318 8.491 1.669
168 2HD ARG 20 1HD ARG 20 8.111 8.999 0.485
169 HE ARG 20 HE ARG 20 10.930 9.209 0.229
170 1HH1 ARG 20 1HH1 ARG 20 7.955 10.842 -0.560
171 2HH1 ARG 20 2HH1 ARG 20 8.607 11.632 -1.956
172 1HH2 ARG 20 1HH2 ARG 20 11.799 10.246 -1.609
173 2HH2 ARG 20 2HH2 ARG 20 10.791 11.293 -2.553
174 HA PRO 21 HA PRO 21 3.566 12.217 1.156
175 1HB PRO 21 2HB PRO 21 3.984 14.678 2.385
176 2HB PRO 21 1HB PRO 21 2.743 13.509 2.852
177 1HG PRO 21 2HG PRO 21 5.466 13.940 3.974
178 2HG PRO 21 1HG PRO 21 3.947 13.669 4.845
179 1HD PRO 21 2HD PRO 21 5.701 11.708 4.571
180 2HD PRO 21 1HD PRO 21 3.968 11.377 4.333
181 H LYS 22 H LYS 22 4.500 12.376 -0.753
182 HA LYS 22 HA LYS 22 7.021 13.149 -1.453
183 1HB LYS 22 2HB LYS 22 4.935 12.194 -2.771
184 2HB LYS 22 1HB LYS 22 4.776 13.878 -3.263
185 1HG LYS 22 2HG LYS 22 7.193 12.115 -3.664
186 2HG LYS 22 1HG LYS 22 6.032 12.596 -4.902
187 1HD LYS 22 2HD LYS 22 6.729 14.855 -4.812
188 2HD LYS 22 1HD LYS 22 7.633 14.591 -3.319
189 1HE LYS 22 2HE LYS 22 8.750 14.651 -5.779
190 2HE LYS 22 1HE LYS 22 9.433 13.784 -4.405
191 1HZ LYS 22 1HZ LYS 22 8.432 11.766 -5.164
192 2HZ LYS 22 2HZ LYS 22 9.286 12.442 -6.457
193 3HZ LYS 22 3HZ LYS 22 7.601 12.568 -6.400
194 H ASN 23 H ASN 23 4.137 15.256 -1.703
195 HA ASN 23 HA ASN 23 5.574 17.587 -2.335
196 1HB ASN 23 2HB ASN 23 3.090 17.182 -2.648
197 2HB ASN 23 1HB ASN 23 2.903 17.517 -0.929
198 1HD2 ASN 23 1HD2 ASN 23 2.045 19.450 -0.721
199 2HD2 ASN 23 2HD2 ASN 23 2.542 20.879 -1.557
200 H SER 24 H SER 24 4.385 16.359 0.772
201 HA SER 24 HA SER 24 5.830 18.520 2.137
202 1HB SER 24 2HB SER 24 3.342 17.130 2.647
203 2HB SER 24 1HB SER 24 4.411 17.033 4.046
204 HG SER 24 HG SER 24 4.576 19.499 3.225
205 H VAL 25 H VAL 25 7.774 17.195 1.402
206 HA VAL 25 HA VAL 25 8.498 14.721 2.303
207 HB VAL 25 HB VAL 25 9.922 16.032 0.832
208 1HG1 VAL 25 1HG1 VAL 25 10.165 18.194 1.340
209 2HG1 VAL 25 2HG1 VAL 25 11.459 17.664 2.414
210 3HG1 VAL 25 3HG1 VAL 25 9.835 17.921 3.051
211 1HG2 VAL 25 1HG2 VAL 25 11.721 14.863 1.447
212 2HG2 VAL 25 2HG2 VAL 25 10.782 14.357 2.853
213 3HG2 VAL 25 3HG2 VAL 25 11.870 15.741 2.970
214 H GLY 26 H GLY 26 9.202 13.803 4.163
215 1HA GLY 26 2HA GLY 26 9.891 15.424 6.466
216 2HA GLY 26 1HA GLY 26 8.385 14.533 6.621
217 H ARG 27 H ARG 27 8.463 12.203 6.500
218 HA ARG 27 HA ARG 27 11.047 10.915 6.642
219 1HB ARG 27 2HB ARG 27 10.658 9.921 8.860
220 2HB ARG 27 1HB ARG 27 10.809 11.671 8.938
221 1HG ARG 27 2HG ARG 27 8.469 11.942 9.246
222 2HG ARG 27 1HG ARG 27 8.163 10.243 8.877
223 1HD ARG 27 2HD ARG 27 8.598 9.609 10.972
224 2HD ARG 27 1HD ARG 27 10.066 10.582 11.044
225 HE ARG 27 HE ARG 27 8.183 12.452 11.314
226 1HH1 ARG 27 1HH1 ARG 27 8.572 9.354 12.859
227 2HH1 ARG 27 2HH1 ARG 27 7.795 9.843 14.328
228 1HH2 ARG 27 1HH2 ARG 27 7.161 13.107 13.246
229 2HH2 ARG 27 2HH2 ARG 27 6.993 11.977 14.547
230 H TRP 28 H TRP 28 10.955 8.672 6.398
231 HA TRP 28 HA TRP 28 8.764 7.697 4.896
232 1HB TRP 28 2HB TRP 28 11.208 6.395 6.078
233 2HB TRP 28 1HB TRP 28 9.992 5.456 5.223
234 HD1 TRP 28 HD TRP 28 12.939 7.723 4.657
235 HE1 TRP 28 1HE TRP 28 13.397 7.922 2.133
236 HE3 TRP 28 3HE TRP 28 8.684 5.511 2.883
237 HZ2 TRP 28 2HZ TRP 28 12.122 7.234 -0.291
238 HZ3 TRP 28 3HZ TRP 28 8.377 5.327 0.447
239 HH2 TRP 28 HH TRP 28 10.064 6.169 -1.104
240 H LYS 29 H LYS 29 7.768 5.510 5.430
241 HA LYS 29 HA LYS 29 7.156 5.196 8.281
242 1HB LYS 29 2HB LYS 29 5.388 6.490 6.650
243 2HB LYS 29 1HB LYS 29 4.849 4.825 6.476
244 1HG LYS 29 2HG LYS 29 3.753 4.997 8.388
245 2HG LYS 29 1HG LYS 29 5.279 5.272 9.229
246 1HD LYS 29 2HD LYS 29 5.095 7.639 8.934
247 2HD LYS 29 1HD LYS 29 3.709 7.450 7.858
248 1HE LYS 29 2HE LYS 29 2.260 7.065 9.570
249 2HE LYS 29 1HE LYS 29 3.483 6.292 10.576
250 1HZ LYS 29 1HZ LYS 29 3.266 9.211 10.065
251 2HZ LYS 29 2HZ LYS 29 4.422 8.464 11.047
252 3HZ LYS 29 3HZ LYS 29 2.789 8.422 11.485
253 H GLU 30 H GLU 30 6.004 3.031 8.649
254 HA GLU 30 HA GLU 30 6.587 1.078 6.538
255 1HB GLU 30 2HB GLU 30 7.517 -0.397 8.508
256 2HB GLU 30 1HB GLU 30 8.558 0.737 7.660
257 1HG GLU 30 2HG GLU 30 8.207 2.379 9.446
258 2HG GLU 30 1HG GLU 30 7.196 1.216 10.301
259 H ALA 31 H ALA 31 4.979 -0.321 6.291
260 HA ALA 31 HA ALA 31 3.336 -1.118 8.576
261 1HB ALA 31 1HB ALA 31 2.432 0.811 6.825
262 2HB ALA 31 2HB ALA 31 1.426 -0.191 7.870
263 3HB ALA 31 3HB ALA 31 1.711 -0.674 6.197
264 H THR 32 H THR 32 2.940 -3.278 8.556
265 HA THR 32 HA THR 32 3.592 -4.728 6.081
266 HB THR 32 HB THR 32 3.266 -6.167 8.676
267 HG1 THR 32 1HG THR 32 4.809 -5.001 9.533
268 1HG2 THR 32 1HG2 THR 32 5.190 -6.481 6.365
269 2HG2 THR 32 2HG2 THR 32 3.692 -7.387 6.574
270 3HG2 THR 32 3HG2 THR 32 5.011 -7.584 7.729
271 H ILE 33 H ILE 33 1.978 -5.496 4.922
272 HA ILE 33 HA ILE 33 -0.565 -6.152 6.269
273 HB ILE 33 HB ILE 33 -0.661 -5.717 3.361
274 1HG1 ILE 33 2HG1 ILE 33 0.974 -3.972 4.027
275 2HG1 ILE 33 1HG1 ILE 33 -0.541 -3.286 3.457
276 1HG2 ILE 33 1HG2 ILE 33 -2.314 -4.481 5.548
277 2HG2 ILE 33 2HG2 ILE 33 -2.597 -6.103 4.917
278 3HG2 ILE 33 3HG2 ILE 33 -2.745 -4.705 3.852
279 1HD1 ILE 33 1HD1 ILE 33 -0.605 -2.076 5.299
280 2HD1 ILE 33 2HD1 ILE 33 0.793 -2.925 5.957
281 3HD1 ILE 33 3HD1 ILE 33 -0.830 -3.563 6.221
282 HA PRO 34 HA PRO 34 0.765 -10.220 4.775
283 1HB PRO 34 2HB PRO 34 -1.406 -11.240 6.440
284 2HB PRO 34 1HB PRO 34 0.333 -11.514 6.576
285 1HG PRO 34 2HG PRO 34 -1.052 -10.028 8.366
286 2HG PRO 34 1HG PRO 34 0.643 -9.702 7.958
287 1HD PRO 34 2HD PRO 34 -1.838 -8.324 6.990
288 2HD PRO 34 1HD PRO 34 -0.279 -7.626 7.480
289 H GLY 35 H GLY 35 0.048 -10.103 2.661
290 1HA GLY 35 2HA GLY 35 -1.358 -10.378 0.856
291 2HA GLY 35 1HA GLY 35 -1.933 -11.750 1.786
292 H HIS 36 H HIS 36 -2.298 -8.266 2.385
293 HA HIS 36 HA HIS 36 -4.141 -6.983 2.753
294 1HB HIS 36 2HB HIS 36 -4.419 -8.059 0.268
295 2HB HIS 36 1HB HIS 36 -5.912 -8.602 1.032
296 HD2 HIS 36 2HD HIS 36 -4.092 -5.205 0.248
297 HE1 HIS 36 1HE HIS 36 -8.248 -4.549 0.709
298 HE2 HIS 36 2HE HIS 36 -6.003 -3.451 0.285
299 H LEU 37 H LEU 37 -4.237 -7.834 4.936
300 HA LEU 37 HA LEU 37 -5.906 -10.030 5.614
301 1HB LEU 37 2HB LEU 37 -5.471 -9.501 7.849
302 2HB LEU 37 1HB LEU 37 -4.025 -8.995 6.998
303 HG LEU 37 HG LEU 37 -6.212 -7.037 7.638
304 1HD1 LEU 37 1HD1 LEU 37 -3.988 -7.995 9.417
305 2HD1 LEU 37 2HD1 LEU 37 -5.712 -7.897 9.773
306 3HD1 LEU 37 3HD1 LEU 37 -4.760 -6.421 9.617
307 1HD2 LEU 37 1HD2 LEU 37 -4.502 -5.404 7.374
308 2HD2 LEU 37 2HD2 LEU 37 -4.413 -6.490 5.987
309 3HD2 LEU 37 3HD2 LEU 37 -3.247 -6.642 7.302
310 H ASN 38 H ASN 38 -6.430 -6.593 5.227
311 HA ASN 38 HA ASN 38 -9.256 -6.940 5.042
312 1HB ASN 38 2HB ASN 38 -10.015 -5.938 6.994
313 2HB ASN 38 1HB ASN 38 -8.636 -6.858 7.588
314 1HD2 ASN 38 1HD2 ASN 38 -6.590 -5.174 6.644
315 2HD2 ASN 38 2HD2 ASN 38 -6.644 -3.700 7.543
316 H SER 39 H SER 39 -10.063 -4.314 5.549
317 HA SER 39 HA SER 39 -8.872 -2.975 3.267
318 1HB SER 39 2HB SER 39 -11.391 -2.780 4.782
319 2HB SER 39 1HB SER 39 -10.752 -1.233 4.226
320 HG SER 39 HG SER 39 -10.498 -2.819 2.191
321 H TYR 40 H TYR 40 -7.002 -1.962 3.677
322 HA TYR 40 HA TYR 40 -6.909 -0.148 5.998
323 1HB TYR 40 2HB TYR 40 -5.394 -1.961 6.441
324 2HB TYR 40 1HB TYR 40 -4.693 -1.844 4.832
325 HD1 TYR 40 1HD TYR 40 -5.314 0.493 7.693
326 HD2 TYR 40 2HD TYR 40 -2.570 -0.965 4.787
327 HE1 TYR 40 1HE TYR 40 -3.591 2.018 8.563
328 HE2 TYR 40 2HE TYR 40 -0.839 0.555 5.649
329 HH TYR 40 HH TYR 40 -1.562 2.979 8.074
330 H THR 41 H THR 41 -7.168 1.836 5.210
331 HA THR 41 HA THR 41 -5.611 2.603 2.825
332 HB THR 41 HB THR 41 -7.915 4.308 3.398
333 HG1 THR 41 1HG THR 41 -9.290 2.546 2.363
334 1HG2 THR 41 1HG2 THR 41 -7.480 2.782 0.869
335 2HG2 THR 41 2HG2 THR 41 -6.348 4.060 1.310
336 3HG2 THR 41 3HG2 THR 41 -8.059 4.432 1.101
337 H ILE 42 H ILE 42 -4.639 4.632 2.798
338 HA ILE 42 HA ILE 42 -4.089 5.747 5.434
339 HB ILE 42 HB ILE 42 -2.865 6.538 2.789
340 1HG1 ILE 42 2HG1 ILE 42 -1.532 4.733 4.782
341 2HG1 ILE 42 1HG1 ILE 42 -2.650 4.059 3.600
342 1HG2 ILE 42 1HG2 ILE 42 -1.356 7.790 3.951
343 2HG2 ILE 42 2HG2 ILE 42 -1.470 6.789 5.399
344 3HG2 ILE 42 3HG2 ILE 42 -2.747 7.946 5.024
345 1HD1 ILE 42 1HD1 ILE 42 -1.278 4.599 1.812
346 2HD1 ILE 42 2HD1 ILE 42 -0.143 4.083 3.060
347 3HD1 ILE 42 3HD1 ILE 42 -0.379 5.801 2.738
348 H LYS 43 H LYS 43 -4.672 7.754 6.104
349 HA LYS 43 HA LYS 43 -6.314 9.352 4.251
350 1HB LYS 43 2HB LYS 43 -6.772 8.452 6.987
351 2HB LYS 43 1HB LYS 43 -6.977 10.189 6.809
352 1HG LYS 43 2HG LYS 43 -9.092 9.109 6.495
353 2HG LYS 43 1HG LYS 43 -8.555 9.774 4.952
354 1HD LYS 43 2HD LYS 43 -8.432 7.748 3.996
355 2HD LYS 43 1HD LYS 43 -7.677 7.025 5.418
356 1HE LYS 43 2HE LYS 43 -10.590 7.727 5.402
357 2HE LYS 43 1HE LYS 43 -10.019 6.210 4.707
358 1HZ LYS 43 1HZ LYS 43 -10.706 6.004 7.043
359 2HZ LYS 43 2HZ LYS 43 -9.492 7.091 7.493
360 3HZ LYS 43 3HZ LYS 43 -9.079 5.598 6.815
361 H GLY 44 H GLY 44 -6.139 11.618 4.316
362 1HA GLY 44 2HA GLY 44 -5.177 13.610 5.364
363 2HA GLY 44 1HA GLY 44 -3.759 12.642 5.738
364 H LEU 45 H LEU 45 -5.280 12.263 2.658
365 HA LEU 45 HA LEU 45 -3.153 13.869 1.399
366 1HB LEU 45 2HB LEU 45 -4.274 11.321 0.242
367 2HB LEU 45 1HB LEU 45 -2.902 12.239 -0.332
368 HG LEU 45 HG LEU 45 -1.685 11.608 1.770
369 1HD1 LEU 45 1HD1 LEU 45 -2.690 9.441 2.796
370 2HD1 LEU 45 2HD1 LEU 45 -4.220 10.089 2.204
371 3HD1 LEU 45 3HD1 LEU 45 -3.255 11.015 3.353
372 1HD2 LEU 45 1HD2 LEU 45 -1.298 9.262 1.044
373 2HD2 LEU 45 2HD2 LEU 45 -1.223 10.437 -0.268
374 3HD2 LEU 45 3HD2 LEU 45 -2.656 9.429 -0.069
375 H LYS 46 H LYS 46 -3.720 14.254 -1.006
376 HA LYS 46 HA LYS 46 -6.345 14.214 -1.933
377 1HB LYS 46 2HB LYS 46 -6.939 16.594 -1.692
378 2HB LYS 46 1HB LYS 46 -6.837 15.782 -0.140
379 1HG LYS 46 2HG LYS 46 -4.724 16.798 0.321
380 2HG LYS 46 1HG LYS 46 -4.632 17.459 -1.312
381 1HD LYS 46 2HD LYS 46 -5.919 19.216 -0.788
382 2HD LYS 46 1HD LYS 46 -7.068 18.217 0.104
383 1HE LYS 46 2HE LYS 46 -5.968 18.485 2.093
384 2HE LYS 46 1HE LYS 46 -4.402 18.721 1.318
385 1HZ LYS 46 1HZ LYS 46 -5.955 20.680 2.360
386 2HZ LYS 46 2HZ LYS 46 -6.297 20.791 0.708
387 3HZ LYS 46 3HZ LYS 46 -4.700 20.916 1.250
388 HA PRO 47 HA PRO 47 -4.675 15.350 -5.840
389 1HB PRO 47 2HB PRO 47 -6.405 17.792 -5.762
390 2HB PRO 47 1HB PRO 47 -6.178 16.623 -7.070
391 1HG PRO 47 2HG PRO 47 -8.358 16.513 -5.585
392 2HG PRO 47 1HG PRO 47 -7.514 15.016 -6.026
393 1HD PRO 47 2HD PRO 47 -7.553 16.471 -3.421
394 2HD PRO 47 1HD PRO 47 -7.503 14.727 -3.741
395 H GLY 48 H GLY 48 -4.787 17.739 -3.307
396 1HA GLY 48 2HA GLY 48 -2.878 19.507 -4.572
397 2HA GLY 48 1HA GLY 48 -3.538 19.667 -2.952
398 H VAL 49 H VAL 49 -2.835 17.012 -2.073
399 HA VAL 49 HA VAL 49 0.089 17.342 -1.910
400 HB VAL 49 HB VAL 49 -1.007 15.662 0.175
401 1HG1 VAL 49 1HG1 VAL 49 0.605 16.660 1.431
402 2HG1 VAL 49 2HG1 VAL 49 0.348 18.248 0.707
403 3HG1 VAL 49 3HG1 VAL 49 1.243 17.006 -0.178
404 1HG2 VAL 49 1HG2 VAL 49 -2.706 16.839 0.987
405 2HG2 VAL 49 2HG2 VAL 49 -2.635 17.873 -0.440
406 3HG2 VAL 49 3HG2 VAL 49 -1.727 18.308 1.009
407 H VAL 50 H VAL 50 1.291 15.790 -2.721
408 HA VAL 50 HA VAL 50 0.054 13.190 -3.298
409 HB VAL 50 HB VAL 50 0.973 14.071 -5.288
410 1HG1 VAL 50 1HG1 VAL 50 3.346 14.823 -3.605
411 2HG1 VAL 50 2HG1 VAL 50 2.291 15.873 -4.551
412 3HG1 VAL 50 3HG1 VAL 50 3.412 14.783 -5.368
413 1HG2 VAL 50 1HG2 VAL 50 1.539 11.707 -4.843
414 2HG2 VAL 50 2HG2 VAL 50 3.085 12.227 -4.171
415 3HG2 VAL 50 3HG2 VAL 50 2.724 12.509 -5.875
416 H TYR 51 H TYR 51 0.709 11.396 -2.261
417 HA TYR 51 HA TYR 51 3.023 11.646 -0.453
418 1HB TYR 51 2HB TYR 51 0.453 10.098 -0.201
419 2HB TYR 51 1HB TYR 51 1.880 9.659 0.732
420 HD1 TYR 51 1HD TYR 51 1.514 10.255 2.930
421 HD2 TYR 51 2HD TYR 51 0.418 12.995 -0.136
422 HE1 TYR 51 1HE TYR 51 0.922 11.920 4.638
423 HE2 TYR 51 2HE TYR 51 -0.176 14.669 1.565
424 HH TYR 51 HH TYR 51 -0.100 13.897 5.009
425 H GLU 52 H GLU 52 4.765 10.522 -1.048
426 HA GLU 52 HA GLU 52 4.542 8.508 -3.102
427 1HB GLU 52 2HB GLU 52 6.572 9.405 -3.482
428 2HB GLU 52 1HB GLU 52 6.671 10.070 -1.859
429 1HG GLU 52 2HG GLU 52 8.487 8.625 -2.019
430 2HG GLU 52 1HG GLU 52 7.282 7.712 -1.111
431 H GLY 53 H GLY 53 4.337 6.381 -2.804
432 1HA GLY 53 2HA GLY 53 4.909 5.298 -0.119
433 2HA GLY 53 1HA GLY 53 3.452 4.862 -0.997
434 H GLN 54 H GLN 54 5.357 3.022 0.003
435 HA GLN 54 HA GLN 54 6.242 1.856 -2.550
436 1HB GLN 54 2HB GLN 54 8.244 2.738 -1.589
437 2HB GLN 54 1HB GLN 54 7.847 2.081 -0.007
438 1HG GLN 54 2HG GLN 54 8.587 0.017 -0.520
439 2HG GLN 54 1HG GLN 54 8.076 0.130 -2.203
440 1HE2 GLN 54 1HE2 GLN 54 10.044 2.548 -0.637
441 2HE2 GLN 54 2HE2 GLN 54 11.495 2.221 -1.516
442 H LEU 55 H LEU 55 5.378 -0.073 -2.855
443 HA LEU 55 HA LEU 55 4.585 -1.641 -0.493
444 1HB LEU 55 2HB LEU 55 3.352 -1.231 -3.157
445 2HB LEU 55 1HB LEU 55 3.246 -2.848 -2.488
446 HG LEU 55 HG LEU 55 2.385 -0.456 -0.894
447 1HD1 LEU 55 1HD1 LEU 55 1.273 -0.906 -3.290
448 2HD1 LEU 55 2HD1 LEU 55 0.365 -0.317 -1.898
449 3HD1 LEU 55 3HD1 LEU 55 0.332 -2.032 -2.311
450 1HD2 LEU 55 1HD2 LEU 55 1.128 -2.024 0.361
451 2HD2 LEU 55 2HD2 LEU 55 2.746 -2.699 0.172
452 3HD2 LEU 55 3HD2 LEU 55 1.419 -3.301 -0.821
453 H ILE 56 H ILE 56 6.149 -3.050 -0.063
454 HA ILE 56 HA ILE 56 7.399 -4.497 -2.300
455 HB ILE 56 HB ILE 56 8.482 -4.034 0.484
456 1HG1 ILE 56 2HG1 ILE 56 9.704 -2.999 -2.049
457 2HG1 ILE 56 1HG1 ILE 56 8.392 -2.117 -1.284
458 1HG2 ILE 56 1HG2 ILE 56 9.069 -6.205 -0.793
459 2HG2 ILE 56 2HG2 ILE 56 10.372 -5.252 -0.079
460 3HG2 ILE 56 3HG2 ILE 56 10.046 -5.144 -1.809
461 1HD1 ILE 56 1HD1 ILE 56 10.007 -1.090 -0.147
462 2HD1 ILE 56 2HD1 ILE 56 11.193 -2.339 -0.526
463 3HD1 ILE 56 3HD1 ILE 56 10.072 -2.565 0.816
464 H SER 57 H SER 57 6.768 -6.539 -2.529
465 HA SER 57 HA SER 57 5.329 -7.861 -0.410
466 1HB SER 57 2HB SER 57 6.145 -9.323 -2.879
467 2HB SER 57 1HB SER 57 4.623 -9.376 -1.988
468 HG SER 57 HG SER 57 4.407 -8.278 -3.984
469 H ILE 58 H ILE 58 6.024 -9.406 0.860
470 HA ILE 58 HA ILE 58 8.813 -10.300 0.599
471 HB ILE 58 HB ILE 58 7.241 -9.506 3.018
472 1HG1 ILE 58 2HG1 ILE 58 9.846 -8.745 3.346
473 2HG1 ILE 58 1HG1 ILE 58 9.688 -8.716 1.591
474 1HG2 ILE 58 1HG2 ILE 58 8.122 -11.840 3.359
475 2HG2 ILE 58 2HG2 ILE 58 8.718 -10.635 4.501
476 3HG2 ILE 58 3HG2 ILE 58 9.744 -11.174 3.171
477 1HD1 ILE 58 1HD1 ILE 58 8.493 -6.968 3.633
478 2HD1 ILE 58 2HD1 ILE 58 7.449 -7.403 2.280
479 3HD1 ILE 58 3HD1 ILE 58 8.998 -6.614 1.981
480 H GLN 59 H GLN 59 9.235 -12.423 0.569
481 HA GLN 59 HA GLN 59 7.004 -14.287 0.630
482 1HB GLN 59 2HB GLN 59 9.435 -14.159 -0.772
483 2HB GLN 59 1HB GLN 59 9.595 -15.532 0.313
484 1HG GLN 59 2HG GLN 59 7.409 -15.096 -1.709
485 2HG GLN 59 1HG GLN 59 8.746 -16.240 -1.833
486 1HE2 GLN 59 1HE2 GLN 59 5.798 -15.456 -0.122
487 2HE2 GLN 59 2HE2 GLN 59 5.499 -17.046 0.487
488 H GLN 60 H GLN 60 7.883 -16.575 1.588
489 HA GLN 60 HA GLN 60 7.812 -16.259 4.384
490 1HB GLN 60 2HB GLN 60 8.807 -18.745 3.012
491 2HB GLN 60 1HB GLN 60 7.913 -18.611 4.520
492 1HG GLN 60 2HG GLN 60 6.328 -17.483 2.456
493 2HG GLN 60 1HG GLN 60 6.923 -19.049 1.905
494 1HE2 GLN 60 1HE2 GLN 60 7.064 -20.320 4.404
495 2HE2 GLN 60 2HE2 GLN 60 5.452 -20.576 4.971
496 H TYR 61 H TYR 61 10.428 -16.552 2.099
497 HA TYR 61 HA TYR 61 12.374 -16.690 4.291
498 1HB TYR 61 2HB TYR 61 14.025 -17.268 2.563
499 2HB TYR 61 1HB TYR 61 12.657 -18.375 2.546
500 HD1 TYR 61 1HD TYR 61 14.603 -16.009 0.653
501 HD2 TYR 61 2HD TYR 61 10.908 -18.115 0.754
502 HE1 TYR 61 1HE TYR 61 14.299 -15.577 -1.748
503 HE2 TYR 61 2HE TYR 61 10.593 -17.690 -1.649
504 HH TYR 61 HH TYR 61 12.980 -16.762 -3.679
505 H GLY 62 H GLY 62 10.791 -14.388 2.629
506 1HA GLY 62 2HA GLY 62 11.298 -12.079 2.978
507 2HA GLY 62 1HA GLY 62 13.005 -12.490 2.994
508 H HIS 63 H HIS 63 11.584 -10.450 1.465
509 HA HIS 63 HA HIS 63 11.701 -9.489 -0.587
510 1HB HIS 63 2HB HIS 63 14.007 -10.945 -0.407
511 2HB HIS 63 1HB HIS 63 13.298 -11.588 -1.884
512 HD2 HIS 63 2HD HIS 63 14.833 -10.349 -3.730
513 HE1 HIS 63 1HE HIS 63 14.191 -6.403 -2.344
514 HE2 HIS 63 2HE HIS 63 15.336 -7.832 -4.097
515 H GLN 64 H GLN 64 10.604 -9.506 -2.522
516 HA GLN 64 HA GLN 64 9.698 -11.870 -3.811
517 1HB GLN 64 2HB GLN 64 8.044 -10.784 -1.683
518 2HB GLN 64 1HB GLN 64 7.198 -10.804 -3.221
519 1HG GLN 64 2HG GLN 64 8.210 -13.051 -1.578
520 2HG GLN 64 1HG GLN 64 6.647 -12.845 -2.363
521 1HE2 GLN 64 1HE2 GLN 64 9.927 -13.882 -2.739
522 2HE2 GLN 64 2HE2 GLN 64 9.736 -14.629 -4.286
523 H GLU 65 H GLU 65 8.465 -8.595 -3.168
524 HA GLU 65 HA GLU 65 8.849 -7.905 -5.986
525 1HB GLU 65 2HB GLU 65 6.415 -8.755 -5.145
526 2HB GLU 65 1HB GLU 65 6.282 -7.033 -4.807
527 1HG GLU 65 2HG GLU 65 7.276 -6.938 -7.304
528 2HG GLU 65 1HG GLU 65 6.391 -8.461 -7.383
529 H VAL 66 H VAL 66 9.181 -5.732 -6.365
530 HA VAL 66 HA VAL 66 8.957 -3.912 -4.075
531 HB VAL 66 HB VAL 66 11.377 -4.075 -5.879
532 1HG1 VAL 66 1HG1 VAL 66 12.259 -2.246 -4.479
533 2HG1 VAL 66 2HG1 VAL 66 10.707 -2.152 -3.647
534 3HG1 VAL 66 3HG1 VAL 66 10.810 -1.764 -5.364
535 1HG2 VAL 66 1HG2 VAL 66 12.390 -4.312 -3.436
536 2HG2 VAL 66 2HG2 VAL 66 11.829 -5.710 -4.353
537 3HG2 VAL 66 3HG2 VAL 66 10.796 -4.994 -3.115
538 H THR 67 H THR 67 7.586 -2.389 -4.662
539 HA THR 67 HA THR 67 7.873 -1.187 -7.320
540 HB THR 67 HB THR 67 5.428 -2.464 -6.167
541 HG1 THR 67 1HG THR 67 5.480 -3.451 -8.060
542 1HG2 THR 67 1HG2 THR 67 4.233 -1.043 -8.064
543 2HG2 THR 67 2HG2 THR 67 5.485 0.126 -7.643
544 3HG2 THR 67 3HG2 THR 67 4.362 -0.445 -6.409
545 H ARG 68 H ARG 68 8.180 0.917 -7.113
546 HA ARG 68 HA ARG 68 7.106 2.290 -4.738
547 1HB ARG 68 2HB ARG 68 9.283 3.521 -6.349
548 2HB ARG 68 1HB ARG 68 8.998 3.582 -4.616
549 1HG ARG 68 2HG ARG 68 10.200 1.711 -4.212
550 2HG ARG 68 1HG ARG 68 9.727 0.947 -5.731
551 1HD ARG 68 2HD ARG 68 12.041 1.397 -5.908
552 2HD ARG 68 1HD ARG 68 11.225 2.608 -6.895
553 HE ARG 68 HE ARG 68 12.021 3.272 -4.151
554 1HH1 ARG 68 1HH1 ARG 68 12.335 3.746 -7.589
555 2HH1 ARG 68 2HH1 ARG 68 13.242 5.213 -7.434
556 1HH2 ARG 68 1HH2 ARG 68 13.216 5.205 -3.939
557 2HH2 ARG 68 2HH2 ARG 68 13.744 6.041 -5.360
558 H PHE 69 H PHE 69 5.782 4.000 -4.988
559 HA PHE 69 HA PHE 69 5.657 5.462 -7.478
560 1HB PHE 69 2HB PHE 69 3.172 5.031 -7.731
561 2HB PHE 69 1HB PHE 69 4.234 3.699 -8.172
562 HD1 PHE 69 1HD PHE 69 2.359 4.975 -5.197
563 HD2 PHE 69 2HD PHE 69 3.698 1.605 -7.424
564 HE1 PHE 69 1HE PHE 69 1.122 3.484 -3.679
565 HE2 PHE 69 2HE PHE 69 2.465 0.109 -5.909
566 HZ PHE 69 HZ PHE 69 1.176 1.048 -4.034
567 H ASP 70 H ASP 70 4.345 7.357 -7.385
568 HA ASP 70 HA ASP 70 3.896 8.290 -4.640
569 1HB ASP 70 2HB ASP 70 3.651 10.548 -6.034
570 2HB ASP 70 1HB ASP 70 5.229 9.916 -5.574
571 H PHE 71 H PHE 71 1.863 8.396 -3.921
572 HA PHE 71 HA PHE 71 -0.304 8.884 -5.838
573 1HB PHE 71 2HB PHE 71 -1.550 7.029 -5.224
574 2HB PHE 71 1HB PHE 71 0.087 6.380 -5.170
575 HD1 PHE 71 1HD PHE 71 1.026 5.588 -3.153
576 HD2 PHE 71 2HD PHE 71 -2.703 7.665 -3.079
577 HE1 PHE 71 1HE PHE 71 0.695 4.914 -0.811
578 HE2 PHE 71 2HE PHE 71 -3.028 6.986 -0.739
579 HZ PHE 71 HZ PHE 71 -1.333 5.610 0.397
580 H THR 72 H THR 72 -2.357 9.423 -4.790
581 HA THR 72 HA THR 72 -2.119 10.478 -2.076
582 HB THR 72 HB THR 72 -1.824 12.545 -2.988
583 HG1 THR 72 1HG THR 72 -4.026 12.402 -2.067
584 1HG2 THR 72 1HG2 THR 72 -2.029 13.104 -5.189
585 2HG2 THR 72 2HG2 THR 72 -3.548 12.228 -5.383
586 3HG2 THR 72 3HG2 THR 72 -2.020 11.349 -5.365
587 H THR 73 H THR 73 -3.941 10.151 -0.894
588 HA THR 73 HA THR 73 -5.914 8.387 -1.743
589 HB THR 73 HB THR 73 -5.330 9.106 0.662
590 HG1 THR 73 1HG THR 73 -7.186 7.742 -0.139
591 1HG2 THR 73 1HG2 THR 73 -7.631 10.915 0.674
592 2HG2 THR 73 2HG2 THR 73 -6.232 11.548 -0.197
593 3HG2 THR 73 3HG2 THR 73 -6.072 11.056 1.491
594 H THR 74 H THR 74 -5.697 11.838 -1.952
595 HA THR 74 HA THR 74 -6.943 13.446 -2.906
596 HB THR 74 HB THR 74 -8.026 12.933 -5.015
597 HG1 THR 74 1HG THR 74 -8.631 10.943 -5.533
598 1HG2 THR 74 1HG2 THR 74 -6.060 12.511 -6.104
599 2HG2 THR 74 2HG2 THR 74 -5.638 11.160 -5.046
600 3HG2 THR 74 3HG2 THR 74 -5.426 12.822 -4.484
601 H SER 75 H SER 75 -8.429 14.410 -1.814
602 HA SER 75 HA SER 75 -10.676 13.049 -0.670
603 1HB SER 75 2HB SER 75 -9.335 15.035 0.305
604 2HB SER 75 1HB SER 75 -10.321 16.039 -0.758
605 HG SER 75 HG SER 75 -11.751 15.937 0.769
606 H THR 76 H THR 76 -10.809 12.759 -3.414
607 HA THR 76 HA THR 76 -13.305 14.164 -3.995
608 HB THR 76 HB THR 76 -11.868 15.541 -5.239
609 HG1 THR 76 1HG THR 76 -13.548 14.024 -6.474
610 1HG2 THR 76 1HG2 THR 76 -10.012 13.595 -5.018
611 2HG2 THR 76 2HG2 THR 76 -9.861 14.965 -6.117
612 3HG2 THR 76 3HG2 THR 76 -10.450 13.415 -6.716
613 H SER 77 H SER 77 -14.790 12.676 -4.444
614 HA SER 77 HA SER 77 -14.116 10.434 -6.173
615 1HB SER 77 2HB SER 77 -15.156 10.114 -3.355
616 2HB SER 77 1HB SER 77 -15.282 8.844 -4.573
617 HG SER 77 HG SER 77 -12.881 9.258 -4.778
618 H THR 78 H THR 78 -15.961 12.938 -5.822
619 HA THR 78 HA THR 78 -18.092 11.907 -7.395
620 HB THR 78 HB THR 78 -19.061 11.080 -5.404
621 HG1 THR 78 1HG THR 78 -20.437 13.487 -5.355
622 1HG2 THR 78 1HG2 THR 78 -17.793 13.400 -4.197
623 2HG2 THR 78 2HG2 THR 78 -18.290 11.877 -3.462
624 3HG2 THR 78 3HG2 THR 78 -19.456 13.186 -3.651
625 HA PRO 79 HA PRO 79 -17.383 16.484 -7.637
626 1HB PRO 79 2HB PRO 79 -16.244 16.631 -10.046
627 2HB PRO 79 1HB PRO 79 -15.307 16.167 -8.619
628 1HG PRO 79 2HG PRO 79 -16.431 14.450 -10.790
629 2HG PRO 79 1HG PRO 79 -14.870 14.330 -9.960
630 1HD PRO 79 2HD PRO 79 -17.119 12.814 -9.366
631 2HD PRO 79 1HD PRO 79 -15.747 13.077 -8.274
632 H GLY 80 H GLY 80 -19.588 14.482 -8.593
633 1HA GLY 80 2HA GLY 80 -21.627 15.827 -9.378
634 2HA GLY 80 1HA GLY 80 -20.645 16.117 -10.806
635 H SER 81 H SER 81 -20.844 13.114 -8.968
636 HA SER 81 HA SER 81 -21.400 10.995 -9.576
637 1HB SER 81 2HB SER 81 -23.506 12.493 -11.150
638 2HB SER 81 1HB SER 81 -23.507 10.747 -10.898
639 HG SER 81 HG SER 81 -24.696 12.316 -9.375
640 H ARG 82 H ARG 82 -19.478 10.519 -10.668
641 HA ARG 82 HA ARG 82 -19.032 11.159 -13.395
642 1HB ARG 82 2HB ARG 82 -17.717 9.481 -11.340
643 2HB ARG 82 1HB ARG 82 -17.400 9.043 -13.013
644 1HG ARG 82 2HG ARG 82 -16.339 11.048 -13.474
645 2HG ARG 82 1HG ARG 82 -17.100 11.879 -12.115
646 1HD ARG 82 2HD ARG 82 -15.599 11.071 -10.602
647 2HD ARG 82 1HD ARG 82 -15.336 9.575 -11.497
648 HE ARG 82 HE ARG 82 -14.308 11.880 -12.852
649 1HH1 ARG 82 1HH1 ARG 82 -13.635 9.506 -10.390
650 2HH1 ARG 82 2HH1 ARG 82 -11.915 9.653 -10.539
651 1HH2 ARG 82 1HH2 ARG 82 -12.048 12.081 -13.052
652 2HH2 ARG 82 2HH2 ARG 82 -11.013 11.118 -12.051
653 H SER 83 H SER 83 -19.299 7.866 -12.076
654 HA SER 83 HA SER 83 -20.175 5.950 -12.937
655 1HB SER 83 2HB SER 83 -22.211 8.035 -13.586
656 2HB SER 83 1HB SER 83 -22.408 6.430 -14.290
657 HG SER 83 HG SER 83 -22.346 5.574 -12.178
658 H HIS 84 H HIS 84 -21.548 5.424 -15.328
659 HA HIS 84 HA HIS 84 -19.644 6.252 -17.407
660 1HB HIS 84 2HB HIS 84 -19.842 3.857 -18.293
661 2HB HIS 84 1HB HIS 84 -18.840 4.104 -16.868
662 HD2 HIS 84 2HD HIS 84 -21.668 1.918 -18.041
663 HE1 HIS 84 1HE HIS 84 -21.634 1.697 -13.815
664 HE2 HIS 84 2HE HIS 84 -22.693 0.799 -15.937
665 H HIS 85 H HIS 85 -20.949 7.514 -18.607
666 HA HIS 85 HA HIS 85 -23.473 6.330 -19.564
667 1HB HIS 85 2HB HIS 85 -22.795 9.097 -18.690
668 2HB HIS 85 1HB HIS 85 -23.937 8.916 -20.018
669 HD2 HIS 85 2HD HIS 85 -26.291 7.415 -19.330
670 HE1 HIS 85 1HE HIS 85 -25.778 8.172 -15.197
671 HE2 HIS 85 2HE HIS 85 -27.430 7.504 -17.001
672 H HIS 86 H HIS 86 -24.144 7.080 -21.744
673 HA HIS 86 HA HIS 86 -21.785 7.334 -23.481
674 1HB HIS 86 2HB HIS 86 -22.969 6.169 -25.174
675 2HB HIS 86 1HB HIS 86 -23.283 5.289 -23.683
676 HD2 HIS 86 2HD HIS 86 -25.256 5.775 -26.534
677 HE1 HIS 86 1HE HIS 86 -27.896 7.019 -23.470
678 HE2 HIS 86 2HE HIS 86 -27.729 6.138 -25.841
679 H HIS 87 H HIS 87 -24.353 9.085 -22.277
680 HA HIS 87 HA HIS 87 -24.310 10.916 -24.587
681 1HB HIS 87 2HB HIS 87 -26.521 9.731 -23.939
682 2HB HIS 87 1HB HIS 87 -26.542 10.844 -22.575
683 HD2 HIS 87 2HD HIS 87 -28.762 12.169 -23.585
684 HE1 HIS 87 1HE HIS 87 -26.739 13.718 -26.965
685 HE2 HIS 87 2HE HIS 87 -28.920 13.701 -25.672
686 H HIS 88 H HIS 88 -25.060 10.990 -21.096
687 HA HIS 88 HA HIS 88 -23.716 13.601 -20.944
688 1HB HIS 88 2HB HIS 88 -26.109 12.489 -19.708
689 2HB HIS 88 1HB HIS 88 -25.013 13.186 -18.519
690 HD2 HIS 88 2HD HIS 88 -24.047 15.848 -19.986
691 HE1 HIS 88 1HE HIS 88 -28.172 16.591 -20.579
692 HE2 HIS 88 2HE HIS 88 -25.875 17.647 -20.383
693 H HIS 89 H HIS 89 -21.613 13.184 -20.553
694 HA HIS 89 HA HIS 89 -20.577 11.057 -19.066
695 1HB HIS 89 2HB HIS 89 -18.529 12.596 -18.860
696 2HB HIS 89 1HB HIS 89 -19.059 12.159 -20.481
697 HD2 HIS 89 2HD HIS 89 -19.387 14.245 -22.124
698 HE1 HIS 89 1HE HIS 89 -19.647 17.245 -19.152
699 HE2 HIS 89 2HE HIS 89 -19.737 16.769 -21.639
Start of MODEL 19
1 1H MET 1 1HT MET 1 19.844 -17.378 7.458
2 2H MET 1 2HT MET 1 19.314 -15.831 7.026
3 3H MET 1 3HT MET 1 20.102 -16.800 5.888
4 HA MET 1 HA MET 1 17.655 -16.668 5.597
5 1HB MET 1 2HB MET 1 17.444 -19.073 5.167
6 2HB MET 1 1HB MET 1 19.021 -18.480 4.668
7 1HG MET 1 2HG MET 1 20.120 -19.554 6.392
8 2HG MET 1 1HG MET 1 18.661 -19.689 7.372
9 1HE MET 1 1HE MET 1 20.089 -21.564 3.751
10 2HE MET 1 2HE MET 1 20.672 -22.665 5.000
11 3HE MET 1 3HE MET 1 21.032 -20.942 5.105
12 H ARG 2 H ARG 2 18.729 -17.224 8.719
13 HA ARG 2 HA ARG 2 17.716 -17.556 10.724
14 1HB ARG 2 2HB ARG 2 15.297 -16.659 9.151
15 2HB ARG 2 1HB ARG 2 15.330 -16.836 10.900
16 1HG ARG 2 2HG ARG 2 15.864 -14.669 10.897
17 2HG ARG 2 1HG ARG 2 17.485 -15.233 10.482
18 1HD ARG 2 2HD ARG 2 17.052 -13.605 8.878
19 2HD ARG 2 1HD ARG 2 16.675 -15.113 8.045
20 HE ARG 2 HE ARG 2 14.330 -14.625 8.390
21 1HH1 ARG 2 1HH1 ARG 2 16.559 -12.011 8.986
22 2HH1 ARG 2 2HH1 ARG 2 15.364 -10.775 8.773
23 1HH2 ARG 2 1HH2 ARG 2 12.755 -13.007 8.109
24 2HH2 ARG 2 2HH2 ARG 2 13.200 -11.341 8.274
25 H GLY 3 H GLY 3 15.331 -18.562 11.559
26 1HA GLY 3 2HA GLY 3 15.432 -21.299 10.468
27 2HA GLY 3 1HA GLY 3 14.977 -20.888 12.114
28 H SER 4 H SER 4 13.067 -22.140 11.842
29 HA SER 4 HA SER 4 11.038 -20.892 10.109
30 1HB SER 4 2HB SER 4 10.820 -23.654 11.298
31 2HB SER 4 1HB SER 4 9.953 -22.983 9.917
32 HG SER 4 HG SER 4 11.476 -24.049 8.886
33 H ASN 5 H ASN 5 9.201 -20.100 10.980
34 HA ASN 5 HA ASN 5 8.806 -20.464 13.878
35 1HB ASN 5 2HB ASN 5 9.575 -18.136 12.907
36 2HB ASN 5 1HB ASN 5 7.872 -17.983 12.488
37 1HD2 ASN 5 1HD2 ASN 5 6.316 -18.195 14.226
38 2HD2 ASN 5 2HD2 ASN 5 6.756 -17.686 15.818
39 H ALA 6 H ALA 6 7.495 -22.305 13.020
40 HA ALA 6 HA ALA 6 5.471 -23.292 12.717
41 1HB ALA 6 1HB ALA 6 4.680 -21.858 14.490
42 2HB ALA 6 2HB ALA 6 3.437 -21.998 13.246
43 3HB ALA 6 3HB ALA 6 4.420 -20.537 13.350
44 HA PRO 7 HA PRO 7 4.973 -22.532 8.350
45 1HB PRO 7 2HB PRO 7 3.190 -24.538 7.866
46 2HB PRO 7 1HB PRO 7 4.928 -24.804 8.048
47 1HG PRO 7 2HG PRO 7 2.734 -25.169 10.053
48 2HG PRO 7 1HG PRO 7 4.128 -26.212 9.716
49 1HD PRO 7 2HD PRO 7 4.074 -24.517 11.817
50 2HD PRO 7 1HD PRO 7 5.572 -24.892 10.942
51 H GLN 8 H GLN 8 3.591 -21.346 7.146
52 HA GLN 8 HA GLN 8 0.936 -20.788 8.296
53 1HB GLN 8 2HB GLN 8 2.888 -18.999 6.862
54 2HB GLN 8 1HB GLN 8 1.185 -18.583 6.999
55 1HG GLN 8 2HG GLN 8 1.321 -18.500 9.377
56 2HG GLN 8 1HG GLN 8 2.956 -19.162 9.359
57 1HE2 GLN 8 1HE2 GLN 8 4.672 -17.847 8.799
58 2HE2 GLN 8 2HE2 GLN 8 4.536 -16.127 8.708
59 HA PRO 9 HA PRO 9 -1.140 -22.138 4.656
60 1HB PRO 9 2HB PRO 9 -2.805 -19.981 4.137
61 2HB PRO 9 1HB PRO 9 -3.151 -21.279 5.285
62 1HG PRO 9 2HG PRO 9 -2.064 -18.544 5.781
63 2HG PRO 9 1HG PRO 9 -3.216 -19.487 6.743
64 1HD PRO 9 2HD PRO 9 -0.648 -19.242 7.476
65 2HD PRO 9 1HD PRO 9 -1.546 -20.753 7.732
66 H SER 10 H SER 10 -2.113 -20.838 2.498
67 HA SER 10 HA SER 10 0.212 -20.312 0.965
68 1HB SER 10 2HB SER 10 -1.833 -19.377 -0.593
69 2HB SER 10 1HB SER 10 -1.347 -21.069 -0.496
70 HG SER 10 HG SER 10 -3.618 -20.706 -0.148
71 H HIS 11 H HIS 11 -0.850 -18.145 -0.665
72 HA HIS 11 HA HIS 11 -0.702 -15.882 -0.855
73 1HB HIS 11 2HB HIS 11 -1.896 -16.259 1.844
74 2HB HIS 11 1HB HIS 11 -1.257 -14.661 1.468
75 HD2 HIS 11 2HD HIS 11 -2.831 -13.107 -0.099
76 HE1 HIS 11 1HE HIS 11 -5.710 -16.080 -0.982
77 HE2 HIS 11 2HE HIS 11 -5.200 -13.597 -1.036
78 H ILE 12 H ILE 12 0.430 -13.887 0.155
79 HA ILE 12 HA ILE 12 3.164 -14.618 0.608
80 HB ILE 12 HB ILE 12 2.696 -12.653 -0.716
81 1HG1 ILE 12 2HG1 ILE 12 3.800 -10.941 1.160
82 2HG1 ILE 12 1HG1 ILE 12 4.269 -12.534 1.745
83 1HG2 ILE 12 1HG2 ILE 12 0.820 -12.103 1.390
84 2HG2 ILE 12 2HG2 ILE 12 0.934 -11.397 -0.223
85 3HG2 ILE 12 3HG2 ILE 12 1.862 -10.708 1.110
86 1HD1 ILE 12 1HD1 ILE 12 5.507 -13.005 -0.153
87 2HD1 ILE 12 2HD1 ILE 12 5.832 -11.296 0.132
88 3HD1 ILE 12 3HD1 ILE 12 4.683 -11.780 -1.115
89 H SER 13 H SER 13 4.419 -14.278 2.452
90 HA SER 13 HA SER 13 3.287 -14.806 4.925
91 1HB SER 13 2HB SER 13 5.775 -14.919 4.198
92 2HB SER 13 1HB SER 13 5.841 -13.222 4.673
93 HG SER 13 HG SER 13 4.730 -14.254 6.691
94 H LYS 14 H LYS 14 4.208 -11.705 3.501
95 HA LYS 14 HA LYS 14 2.144 -10.259 4.727
96 1HB LYS 14 2HB LYS 14 3.627 -8.819 6.214
97 2HB LYS 14 1HB LYS 14 3.238 -10.426 6.813
98 1HG LYS 14 2HG LYS 14 5.431 -11.224 6.034
99 2HG LYS 14 1HG LYS 14 5.818 -9.587 5.507
100 1HD LYS 14 2HD LYS 14 4.953 -9.331 8.154
101 2HD LYS 14 1HD LYS 14 5.993 -10.756 8.136
102 1HE LYS 14 2HE LYS 14 7.761 -9.452 7.063
103 2HE LYS 14 1HE LYS 14 6.720 -8.028 7.070
104 1HZ LYS 14 1HZ LYS 14 7.174 -7.627 9.203
105 2HZ LYS 14 2HZ LYS 14 8.481 -8.683 9.011
106 3HZ LYS 14 3HZ LYS 14 7.024 -9.250 9.658
107 H TYR 15 H TYR 15 2.016 -8.143 3.966
108 HA TYR 15 HA TYR 15 3.922 -7.489 1.827
109 1HB TYR 15 2HB TYR 15 1.064 -7.292 2.074
110 2HB TYR 15 1HB TYR 15 1.728 -5.684 1.823
111 HD1 TYR 15 1HD TYR 15 1.181 -8.979 0.348
112 HD2 TYR 15 2HD TYR 15 2.873 -5.117 -0.259
113 HE1 TYR 15 1HE TYR 15 1.338 -9.433 -2.063
114 HE2 TYR 15 2HE TYR 15 3.040 -5.567 -2.671
115 HH TYR 15 HH TYR 15 2.064 -8.696 -4.033
116 H ILE 16 H ILE 16 4.692 -5.285 1.642
117 HA ILE 16 HA ILE 16 4.743 -3.918 4.248
118 HB ILE 16 HB ILE 16 6.927 -4.747 2.645
119 1HG1 ILE 16 2HG1 ILE 16 6.779 -4.638 5.125
120 2HG1 ILE 16 1HG1 ILE 16 8.237 -3.873 4.500
121 1HG2 ILE 16 1HG2 ILE 16 8.096 -2.759 2.068
122 2HG2 ILE 16 2HG2 ILE 16 6.939 -1.736 2.921
123 3HG2 ILE 16 3HG2 ILE 16 6.465 -2.539 1.430
124 1HD1 ILE 16 1HD1 ILE 16 7.700 -2.146 5.792
125 2HD1 ILE 16 2HD1 ILE 16 6.061 -2.745 6.053
126 3HD1 ILE 16 3HD1 ILE 16 6.435 -1.795 4.615
127 H LEU 17 H LEU 17 4.648 -1.729 4.345
128 HA LEU 17 HA LEU 17 4.076 -0.320 1.853
129 1HB LEU 17 2HB LEU 17 2.139 -0.921 3.744
130 2HB LEU 17 1HB LEU 17 2.594 0.730 4.126
131 HG LEU 17 HG LEU 17 2.293 0.712 1.350
132 1HD1 LEU 17 1HD1 LEU 17 0.256 -0.316 0.843
133 2HD1 LEU 17 2HD1 LEU 17 -0.145 -0.571 2.541
134 3HD1 LEU 17 3HD1 LEU 17 1.131 -1.523 1.784
135 1HD2 LEU 17 1HD2 LEU 17 -0.082 1.640 2.629
136 2HD2 LEU 17 2HD2 LEU 17 1.244 2.574 1.938
137 3HD2 LEU 17 3HD2 LEU 17 1.309 2.064 3.625
138 H ARG 18 H ARG 18 5.726 0.985 1.686
139 HA ARG 18 HA ARG 18 6.618 2.466 4.066
140 1HB ARG 18 2HB ARG 18 8.253 1.744 1.618
141 2HB ARG 18 1HB ARG 18 8.832 2.622 3.026
142 1HG ARG 18 2HG ARG 18 9.038 0.749 4.282
143 2HG ARG 18 1HG ARG 18 7.673 -0.056 3.505
144 1HD ARG 18 2HD ARG 18 9.065 -1.183 2.195
145 2HD ARG 18 1HD ARG 18 9.709 0.329 1.558
146 HE ARG 18 HE ARG 18 11.551 0.080 2.903
147 1HH1 ARG 18 1HH1 ARG 18 9.063 -2.132 3.932
148 2HH1 ARG 18 2HH1 ARG 18 10.099 -2.995 5.018
149 1HH2 ARG 18 1HH2 ARG 18 12.923 -1.054 4.330
150 2HH2 ARG 18 2HH2 ARG 18 12.292 -2.382 5.245
151 H TRP 19 H TRP 19 6.301 4.638 3.906
152 HA TRP 19 HA TRP 19 6.347 5.837 1.288
153 1HB TRP 19 2HB TRP 19 4.144 6.086 0.893
154 2HB TRP 19 1HB TRP 19 3.995 4.708 1.970
155 HD1 TRP 19 HD TRP 19 3.789 8.558 2.093
156 HE1 TRP 19 1HE TRP 19 2.110 9.197 3.958
157 HE3 TRP 19 3HE TRP 19 2.812 3.898 3.936
158 HZ2 TRP 19 2HZ TRP 19 0.581 7.878 5.947
159 HZ3 TRP 19 3HZ TRP 19 1.242 3.662 5.814
160 HH2 TRP 19 HH TRP 19 0.148 5.615 6.797
161 H ARG 20 H ARG 20 6.000 8.061 1.230
162 HA ARG 20 HA ARG 20 5.929 9.603 3.642
163 1HB ARG 20 2HB ARG 20 8.198 10.700 2.484
164 2HB ARG 20 1HB ARG 20 8.158 9.749 3.950
165 1HG ARG 20 2HG ARG 20 9.880 9.013 2.384
166 2HG ARG 20 1HG ARG 20 8.699 7.755 2.743
167 1HD ARG 20 2HD ARG 20 8.267 7.527 0.593
168 2HD ARG 20 1HD ARG 20 7.782 9.217 0.499
169 HE ARG 20 HE ARG 20 10.249 8.078 -0.413
170 1HH1 ARG 20 1HH1 ARG 20 8.724 10.992 0.743
171 2HH1 ARG 20 2HH1 ARG 20 9.867 12.045 -0.022
172 1HH2 ARG 20 1HH2 ARG 20 11.759 9.458 -1.417
173 2HH2 ARG 20 2HH2 ARG 20 11.592 11.173 -1.249
174 HA PRO 21 HA PRO 21 4.020 12.525 0.963
175 1HB PRO 21 2HB PRO 21 5.395 14.839 1.654
176 2HB PRO 21 1HB PRO 21 4.019 14.182 2.551
177 1HG PRO 21 2HG PRO 21 6.942 13.769 3.000
178 2HG PRO 21 1HG PRO 21 5.702 14.192 4.198
179 1HD PRO 21 2HD PRO 21 6.546 11.719 4.033
180 2HD PRO 21 1HD PRO 21 4.788 12.008 4.095
181 H LYS 22 H LYS 22 4.538 12.161 -1.081
182 HA LYS 22 HA LYS 22 6.916 11.937 -2.352
183 1HB LYS 22 2HB LYS 22 4.642 11.488 -3.265
184 2HB LYS 22 1HB LYS 22 4.462 13.218 -3.544
185 1HG LYS 22 2HG LYS 22 6.883 11.978 -4.681
186 2HG LYS 22 1HG LYS 22 5.349 11.478 -5.394
187 1HD LYS 22 2HD LYS 22 4.779 13.762 -5.893
188 2HD LYS 22 1HD LYS 22 6.202 14.348 -5.028
189 1HE LYS 22 2HE LYS 22 6.566 14.380 -7.438
190 2HE LYS 22 1HE LYS 22 7.649 13.234 -6.649
191 1HZ LYS 22 1HZ LYS 22 6.780 12.208 -8.589
192 2HZ LYS 22 2HZ LYS 22 5.189 12.609 -8.183
193 3HZ LYS 22 3HZ LYS 22 6.033 11.467 -7.263
194 H ASN 23 H ASN 23 5.007 14.963 -2.237
195 HA ASN 23 HA ASN 23 7.327 16.436 -3.213
196 1HB ASN 23 2HB ASN 23 5.205 16.927 -4.275
197 2HB ASN 23 1HB ASN 23 4.473 17.300 -2.717
198 1HD2 ASN 23 1HD2 ASN 23 6.842 18.329 -5.080
199 2HD2 ASN 23 2HD2 ASN 23 6.884 19.987 -4.597
200 H SER 24 H SER 24 5.168 16.404 -0.393
201 HA SER 24 HA SER 24 6.501 18.537 0.939
202 1HB SER 24 2HB SER 24 4.282 18.186 1.633
203 2HB SER 24 1HB SER 24 4.516 16.449 1.809
204 HG SER 24 HG SER 24 4.904 18.425 3.616
205 H VAL 25 H VAL 25 7.862 18.442 2.773
206 HA VAL 25 HA VAL 25 9.732 16.241 2.678
207 HB VAL 25 HB VAL 25 10.568 18.538 2.865
208 1HG1 VAL 25 1HG1 VAL 25 10.006 18.936 5.676
209 2HG1 VAL 25 2HG1 VAL 25 8.529 18.869 4.714
210 3HG1 VAL 25 3HG1 VAL 25 9.788 20.037 4.315
211 1HG2 VAL 25 1HG2 VAL 25 11.156 16.795 5.256
212 2HG2 VAL 25 2HG2 VAL 25 12.132 18.175 4.751
213 3HG2 VAL 25 3HG2 VAL 25 11.978 16.770 3.696
214 H GLY 26 H GLY 26 9.991 14.650 4.151
215 1HA GLY 26 2HA GLY 26 9.079 14.760 6.828
216 2HA GLY 26 1HA GLY 26 7.905 13.904 5.839
217 H ARG 27 H ARG 27 8.381 12.065 7.205
218 HA ARG 27 HA ARG 27 10.901 10.730 6.465
219 1HB ARG 27 2HB ARG 27 10.767 9.506 8.570
220 2HB ARG 27 1HB ARG 27 10.756 11.239 8.865
221 1HG ARG 27 2HG ARG 27 8.202 11.010 8.936
222 2HG ARG 27 1HG ARG 27 8.505 9.280 9.103
223 1HD ARG 27 2HD ARG 27 8.222 10.454 11.272
224 2HD ARG 27 1HD ARG 27 9.774 9.636 11.108
225 HE ARG 27 HE ARG 27 10.072 12.292 10.270
226 1HH1 ARG 27 1HH1 ARG 27 9.447 10.481 13.180
227 2HH1 ARG 27 2HH1 ARG 27 10.203 11.642 14.219
228 1HH2 ARG 27 1HH2 ARG 27 11.071 13.827 11.629
229 2HH2 ARG 27 2HH2 ARG 27 11.127 13.544 13.338
230 H TRP 28 H TRP 28 10.765 8.323 6.445
231 HA TRP 28 HA TRP 28 8.696 7.476 4.709
232 1HB TRP 28 2HB TRP 28 10.962 6.117 6.124
233 2HB TRP 28 1HB TRP 28 9.709 5.130 5.377
234 HD1 TRP 28 HD TRP 28 12.814 7.036 4.582
235 HE1 TRP 28 1HE TRP 28 13.244 7.001 2.048
236 HE3 TRP 28 3HE TRP 28 8.328 5.154 3.017
237 HZ2 TRP 28 2HZ TRP 28 11.870 6.265 -0.308
238 HZ3 TRP 28 3HZ TRP 28 7.957 4.831 0.605
239 HH2 TRP 28 HH TRP 28 9.694 5.369 -1.020
240 H LYS 29 H LYS 29 7.377 5.458 5.168
241 HA LYS 29 HA LYS 29 6.430 5.403 7.956
242 1HB LYS 29 2HB LYS 29 4.965 6.287 5.618
243 2HB LYS 29 1HB LYS 29 4.174 4.910 6.372
244 1HG LYS 29 2HG LYS 29 3.189 6.561 7.561
245 2HG LYS 29 1HG LYS 29 4.625 6.344 8.563
246 1HD LYS 29 2HD LYS 29 5.727 8.168 7.289
247 2HD LYS 29 1HD LYS 29 4.215 8.424 6.417
248 1HE LYS 29 2HE LYS 29 3.674 8.387 9.217
249 2HE LYS 29 1HE LYS 29 5.007 9.499 8.910
250 1HZ LYS 29 1HZ LYS 29 2.846 9.754 7.032
251 2HZ LYS 29 2HZ LYS 29 3.653 10.947 7.920
252 3HZ LYS 29 3HZ LYS 29 2.381 10.084 8.625
253 H GLU 30 H GLU 30 5.216 3.402 8.483
254 HA GLU 30 HA GLU 30 5.860 1.185 6.665
255 1HB GLU 30 2HB GLU 30 6.111 0.614 9.557
256 2HB GLU 30 1HB GLU 30 7.037 -0.009 8.199
257 1HG GLU 30 2HG GLU 30 7.532 2.807 8.604
258 2HG GLU 30 1HG GLU 30 7.853 1.875 10.066
259 H ALA 31 H ALA 31 4.181 -0.035 6.236
260 HA ALA 31 HA ALA 31 2.138 -0.532 8.268
261 1HB ALA 31 1HB ALA 31 1.067 -0.060 5.560
262 2HB ALA 31 2HB ALA 31 1.640 1.371 6.417
263 3HB ALA 31 3HB ALA 31 0.392 0.353 7.136
264 H THR 32 H THR 32 2.163 -2.692 8.463
265 HA THR 32 HA THR 32 2.784 -4.318 6.112
266 HB THR 32 HB THR 32 2.436 -5.471 8.855
267 HG1 THR 32 1HG THR 32 3.860 -3.647 9.034
268 1HG2 THR 32 1HG2 THR 32 3.806 -7.189 8.079
269 2HG2 THR 32 2HG2 THR 32 4.512 -6.185 6.812
270 3HG2 THR 32 3HG2 THR 32 2.859 -6.776 6.648
271 H ILE 33 H ILE 33 1.370 -5.545 5.100
272 HA ILE 33 HA ILE 33 -1.167 -6.260 6.390
273 HB ILE 33 HB ILE 33 -2.059 -5.892 3.886
274 1HG1 ILE 33 2HG1 ILE 33 -0.055 -3.659 4.279
275 2HG1 ILE 33 1HG1 ILE 33 0.152 -4.995 3.153
276 1HG2 ILE 33 1HG2 ILE 33 -3.037 -3.782 4.649
277 2HG2 ILE 33 2HG2 ILE 33 -1.885 -3.731 5.982
278 3HG2 ILE 33 3HG2 ILE 33 -3.093 -5.013 5.909
279 1HD1 ILE 33 1HD1 ILE 33 -1.733 -4.270 1.864
280 2HD1 ILE 33 2HD1 ILE 33 -0.637 -2.908 2.096
281 3HD1 ILE 33 3HD1 ILE 33 -2.116 -3.024 3.050
282 HA PRO 34 HA PRO 34 0.503 -9.986 4.434
283 1HB PRO 34 2HB PRO 34 -0.601 -11.771 6.082
284 2HB PRO 34 1HB PRO 34 0.767 -10.773 6.586
285 1HG PRO 34 2HG PRO 34 -2.143 -10.449 7.200
286 2HG PRO 34 1HG PRO 34 -0.745 -10.241 8.269
287 1HD PRO 34 2HD PRO 34 -2.079 -8.176 7.020
288 2HD PRO 34 1HD PRO 34 -0.398 -8.091 7.579
289 H GLY 35 H GLY 35 -0.328 -10.700 2.604
290 1HA GLY 35 2HA GLY 35 -1.842 -11.317 0.990
291 2HA GLY 35 1HA GLY 35 -2.483 -12.334 2.269
292 H HIS 36 H HIS 36 -2.530 -8.810 2.246
293 HA HIS 36 HA HIS 36 -4.262 -7.340 2.455
294 1HB HIS 36 2HB HIS 36 -4.364 -7.981 0.029
295 2HB HIS 36 1HB HIS 36 -5.605 -9.158 0.445
296 HD2 HIS 36 2HD HIS 36 -5.162 -5.329 0.002
297 HE1 HIS 36 1HE HIS 36 -9.254 -6.180 0.662
298 HE2 HIS 36 2HE HIS 36 -7.556 -4.352 0.211
299 H LEU 37 H LEU 37 -4.636 -8.096 4.655
300 HA LEU 37 HA LEU 37 -6.565 -10.069 5.267
301 1HB LEU 37 2HB LEU 37 -6.629 -8.499 7.473
302 2HB LEU 37 1HB LEU 37 -5.440 -9.749 7.180
303 HG LEU 37 HG LEU 37 -3.815 -8.122 6.444
304 1HD1 LEU 37 1HD1 LEU 37 -4.256 -5.754 6.375
305 2HD1 LEU 37 2HD1 LEU 37 -5.923 -6.014 6.893
306 3HD1 LEU 37 3HD1 LEU 37 -5.389 -6.591 5.314
307 1HD2 LEU 37 1HD2 LEU 37 -3.380 -8.042 8.627
308 2HD2 LEU 37 2HD2 LEU 37 -5.091 -8.006 9.049
309 3HD2 LEU 37 3HD2 LEU 37 -4.253 -6.509 8.638
310 H ASN 38 H ASN 38 -6.793 -6.667 4.551
311 HA ASN 38 HA ASN 38 -9.599 -6.826 4.106
312 1HB ASN 38 2HB ASN 38 -9.451 -6.675 6.635
313 2HB ASN 38 1HB ASN 38 -8.776 -5.063 6.417
314 1HD2 ASN 38 1HD2 ASN 38 -10.100 -3.386 5.964
315 2HD2 ASN 38 2HD2 ASN 38 -11.819 -3.518 5.843
316 H SER 39 H SER 39 -10.489 -4.472 3.776
317 HA SER 39 HA SER 39 -8.715 -3.211 1.900
318 1HB SER 39 2HB SER 39 -11.557 -2.808 2.757
319 2HB SER 39 1HB SER 39 -10.738 -1.509 1.889
320 HG SER 39 HG SER 39 -11.543 -2.699 0.283
321 H TYR 40 H TYR 40 -7.063 -2.086 2.725
322 HA TYR 40 HA TYR 40 -7.638 -0.166 4.884
323 1HB TYR 40 2HB TYR 40 -6.082 -1.745 5.731
324 2HB TYR 40 1HB TYR 40 -5.142 -1.736 4.245
325 HD1 TYR 40 1HD TYR 40 -3.434 -0.106 3.879
326 HD2 TYR 40 2HD TYR 40 -5.966 0.184 7.286
327 HE1 TYR 40 1HE TYR 40 -1.940 1.596 4.837
328 HE2 TYR 40 2HE TYR 40 -4.479 1.889 8.252
329 HH TYR 40 HH TYR 40 -2.029 2.533 8.029
330 H THR 41 H THR 41 -7.700 1.863 4.213
331 HA THR 41 HA THR 41 -6.001 2.645 1.932
332 HB THR 41 HB THR 41 -8.181 2.906 1.136
333 HG1 THR 41 1HG THR 41 -6.744 4.988 1.441
334 1HG2 THR 41 1HG2 THR 41 -9.440 2.507 3.136
335 2HG2 THR 41 2HG2 THR 41 -9.970 4.047 2.461
336 3HG2 THR 41 3HG2 THR 41 -8.882 4.020 3.849
337 H ILE 42 H ILE 42 -4.808 4.501 2.058
338 HA ILE 42 HA ILE 42 -4.352 5.550 4.727
339 HB ILE 42 HB ILE 42 -2.953 6.187 2.125
340 1HG1 ILE 42 2HG1 ILE 42 -1.314 4.801 4.006
341 2HG1 ILE 42 1HG1 ILE 42 -2.818 3.904 3.824
342 1HG2 ILE 42 1HG2 ILE 42 -2.849 7.953 3.909
343 2HG2 ILE 42 2HG2 ILE 42 -1.291 7.306 3.398
344 3HG2 ILE 42 3HG2 ILE 42 -2.008 6.777 4.920
345 1HD1 ILE 42 1HD1 ILE 42 -1.651 2.960 2.138
346 2HD1 ILE 42 2HD1 ILE 42 -0.646 4.387 1.886
347 3HD1 ILE 42 3HD1 ILE 42 -2.291 4.344 1.254
348 H LYS 43 H LYS 43 -4.928 7.526 5.446
349 HA LYS 43 HA LYS 43 -6.132 9.394 3.514
350 1HB LYS 43 2HB LYS 43 -7.575 10.053 5.609
351 2HB LYS 43 1HB LYS 43 -8.039 8.694 4.593
352 1HG LYS 43 2HG LYS 43 -6.242 7.941 6.758
353 2HG LYS 43 1HG LYS 43 -7.761 8.645 7.317
354 1HD LYS 43 2HD LYS 43 -8.114 6.728 5.147
355 2HD LYS 43 1HD LYS 43 -7.370 6.021 6.583
356 1HE LYS 43 2HE LYS 43 -9.277 7.307 7.831
357 2HE LYS 43 1HE LYS 43 -10.062 7.265 6.252
358 1HZ LYS 43 1HZ LYS 43 -10.302 5.016 6.326
359 2HZ LYS 43 2HZ LYS 43 -10.396 5.347 7.981
360 3HZ LYS 43 3HZ LYS 43 -8.950 4.772 7.316
361 H GLY 44 H GLY 44 -3.564 9.768 3.963
362 1HA GLY 44 2HA GLY 44 -3.404 11.857 6.047
363 2HA GLY 44 1HA GLY 44 -2.032 10.904 5.499
364 H LEU 45 H LEU 45 -3.870 11.566 2.854
365 HA LEU 45 HA LEU 45 -2.204 13.890 2.163
366 1HB LEU 45 2HB LEU 45 -3.434 12.777 -0.154
367 2HB LEU 45 1HB LEU 45 -1.730 12.833 0.263
368 HG LEU 45 HG LEU 45 -2.201 10.719 1.661
369 1HD1 LEU 45 1HD1 LEU 45 -4.098 9.473 1.247
370 2HD1 LEU 45 2HD1 LEU 45 -4.461 10.331 -0.250
371 3HD1 LEU 45 3HD1 LEU 45 -4.730 11.119 1.304
372 1HD2 LEU 45 1HD2 LEU 45 -2.483 9.585 -0.875
373 2HD2 LEU 45 2HD2 LEU 45 -0.981 9.922 -0.014
374 3HD2 LEU 45 3HD2 LEU 45 -1.641 11.112 -1.135
375 H LYS 46 H LYS 46 -3.143 15.781 1.747
376 HA LYS 46 HA LYS 46 -6.079 15.837 1.539
377 1HB LYS 46 2HB LYS 46 -4.680 18.344 2.232
378 2HB LYS 46 1HB LYS 46 -6.148 17.658 2.903
379 1HG LYS 46 2HG LYS 46 -5.067 16.610 4.573
380 2HG LYS 46 1HG LYS 46 -3.650 16.252 3.585
381 1HD LYS 46 2HD LYS 46 -2.603 18.164 4.167
382 2HD LYS 46 1HD LYS 46 -4.097 19.104 4.154
383 1HE LYS 46 2HE LYS 46 -3.013 17.351 6.343
384 2HE LYS 46 1HE LYS 46 -3.360 19.079 6.397
385 1HZ LYS 46 1HZ LYS 46 -5.179 16.811 6.633
386 2HZ LYS 46 2HZ LYS 46 -5.764 18.178 5.827
387 3HZ LYS 46 3HZ LYS 46 -5.209 18.309 7.419
388 HA PRO 47 HA PRO 47 -6.206 17.664 -2.449
389 1HB PRO 47 2HB PRO 47 -7.346 20.176 -1.948
390 2HB PRO 47 1HB PRO 47 -8.214 18.678 -2.306
391 1HG PRO 47 2HG PRO 47 -7.630 19.945 0.333
392 2HG PRO 47 1HG PRO 47 -9.086 19.083 -0.208
393 1HD PRO 47 2HD PRO 47 -7.332 17.904 1.408
394 2HD PRO 47 1HD PRO 47 -8.100 16.989 0.095
395 H GLY 48 H GLY 48 -4.004 17.880 -2.811
396 1HA GLY 48 2HA GLY 48 -2.749 19.862 -3.803
397 2HA GLY 48 1HA GLY 48 -2.833 20.510 -2.172
398 H VAL 49 H VAL 49 -2.519 17.354 -1.594
399 HA VAL 49 HA VAL 49 0.423 17.451 -1.695
400 HB VAL 49 HB VAL 49 -0.566 15.675 0.356
401 1HG1 VAL 49 1HG1 VAL 49 1.108 16.770 1.676
402 2HG1 VAL 49 2HG1 VAL 49 1.188 18.117 0.541
403 3HG1 VAL 49 3HG1 VAL 49 1.749 16.516 0.050
404 1HG2 VAL 49 1HG2 VAL 49 -1.038 17.911 1.787
405 2HG2 VAL 49 2HG2 VAL 49 -2.303 16.927 1.046
406 3HG2 VAL 49 3HG2 VAL 49 -1.722 18.380 0.229
407 H VAL 50 H VAL 50 1.527 15.722 -2.346
408 HA VAL 50 HA VAL 50 0.000 13.327 -3.136
409 HB VAL 50 HB VAL 50 0.787 14.294 -5.145
410 1HG1 VAL 50 1HG1 VAL 50 3.642 14.431 -4.463
411 2HG1 VAL 50 2HG1 VAL 50 2.612 15.605 -3.649
412 3HG1 VAL 50 3HG1 VAL 50 2.644 15.531 -5.410
413 1HG2 VAL 50 1HG2 VAL 50 2.555 12.064 -4.196
414 2HG2 VAL 50 2HG2 VAL 50 2.692 12.719 -5.828
415 3HG2 VAL 50 3HG2 VAL 50 1.175 11.996 -5.293
416 H TYR 51 H TYR 51 0.686 11.380 -2.325
417 HA TYR 51 HA TYR 51 3.145 11.430 -0.696
418 1HB TYR 51 2HB TYR 51 0.495 10.099 -0.250
419 2HB TYR 51 1HB TYR 51 1.953 9.461 0.503
420 HD1 TYR 51 1HD TYR 51 0.187 12.732 0.083
421 HD2 TYR 51 2HD TYR 51 2.481 10.200 2.617
422 HE1 TYR 51 1HE TYR 51 -0.040 14.362 1.911
423 HE2 TYR 51 2HE TYR 51 2.260 11.822 4.449
424 HH TYR 51 HH TYR 51 1.842 14.328 4.649
425 H GLU 52 H GLU 52 4.719 9.999 -1.169
426 HA GLU 52 HA GLU 52 4.231 8.124 -3.339
427 1HB GLU 52 2HB GLU 52 6.278 9.562 -3.293
428 2HB GLU 52 1HB GLU 52 6.799 8.707 -1.848
429 1HG GLU 52 2HG GLU 52 6.784 6.600 -3.164
430 2HG GLU 52 1HG GLU 52 6.436 7.558 -4.603
431 H GLY 53 H GLY 53 3.875 6.011 -3.035
432 1HA GLY 53 2HA GLY 53 4.367 4.932 -0.330
433 2HA GLY 53 1HA GLY 53 3.010 4.454 -1.336
434 H GLN 54 H GLN 54 4.950 2.719 -0.123
435 HA GLN 54 HA GLN 54 6.038 1.537 -2.597
436 1HB GLN 54 2HB GLN 54 7.826 2.667 -1.281
437 2HB GLN 54 1HB GLN 54 7.473 1.588 0.061
438 1HG GLN 54 2HG GLN 54 8.391 -0.231 -0.975
439 2HG GLN 54 1HG GLN 54 8.114 0.411 -2.591
440 1HE2 GLN 54 1HE2 GLN 54 9.482 2.502 -0.225
441 2HE2 GLN 54 2HE2 GLN 54 11.100 2.485 -0.829
442 H LEU 55 H LEU 55 5.060 -0.340 -2.928
443 HA LEU 55 HA LEU 55 4.222 -1.938 -0.610
444 1HB LEU 55 2HB LEU 55 3.184 -1.570 -3.350
445 2HB LEU 55 1HB LEU 55 3.123 -3.212 -2.736
446 HG LEU 55 HG LEU 55 1.991 -0.915 -1.166
447 1HD1 LEU 55 1HD1 LEU 55 0.155 -0.773 -2.424
448 2HD1 LEU 55 2HD1 LEU 55 0.048 -2.525 -2.604
449 3HD1 LEU 55 3HD1 LEU 55 1.088 -1.589 -3.677
450 1HD2 LEU 55 1HD2 LEU 55 1.389 -3.866 -1.192
451 2HD2 LEU 55 2HD2 LEU 55 0.646 -2.659 -0.142
452 3HD2 LEU 55 3HD2 LEU 55 2.365 -3.022 0.011
453 H ILE 56 H ILE 56 5.787 -3.286 -0.026
454 HA ILE 56 HA ILE 56 7.196 -4.800 -2.123
455 HB ILE 56 HB ILE 56 8.161 -3.936 0.602
456 1HG1 ILE 56 2HG1 ILE 56 9.327 -3.410 -2.133
457 2HG1 ILE 56 1HG1 ILE 56 8.247 -2.301 -1.302
458 1HG2 ILE 56 1HG2 ILE 56 8.941 -6.216 -0.986
459 2HG2 ILE 56 2HG2 ILE 56 9.422 -5.764 0.649
460 3HG2 ILE 56 3HG2 ILE 56 10.287 -5.105 -0.739
461 1HD1 ILE 56 1HD1 ILE 56 10.796 -1.933 -1.170
462 2HD1 ILE 56 2HD1 ILE 56 10.750 -3.225 0.029
463 3HD1 ILE 56 3HD1 ILE 56 9.822 -1.749 0.289
464 H SER 57 H SER 57 6.750 -6.916 -2.183
465 HA SER 57 HA SER 57 5.244 -8.118 -0.034
466 1HB SER 57 2HB SER 57 6.311 -9.778 -2.266
467 2HB SER 57 1HB SER 57 4.718 -9.797 -1.506
468 HG SER 57 HG SER 57 5.586 -7.627 -3.091
469 H ILE 58 H ILE 58 5.982 -9.482 1.448
470 HA ILE 58 HA ILE 58 8.832 -10.177 1.425
471 HB ILE 58 HB ILE 58 7.205 -9.724 3.916
472 1HG1 ILE 58 2HG1 ILE 58 9.181 -7.701 3.510
473 2HG1 ILE 58 1HG1 ILE 58 8.168 -7.782 2.072
474 1HG2 ILE 58 1HG2 ILE 58 9.309 -11.170 3.910
475 2HG2 ILE 58 2HG2 ILE 58 9.233 -9.856 5.083
476 3HG2 ILE 58 3HG2 ILE 58 10.192 -9.671 3.614
477 1HD1 ILE 58 1HD1 ILE 58 7.615 -6.542 4.540
478 2HD1 ILE 58 2HD1 ILE 58 6.491 -7.890 4.362
479 3HD1 ILE 58 3HD1 ILE 58 6.585 -6.650 3.111
480 H GLN 59 H GLN 59 9.383 -12.247 1.665
481 HA GLN 59 HA GLN 59 7.405 -14.107 2.783
482 1HB GLN 59 2HB GLN 59 8.918 -14.381 0.232
483 2HB GLN 59 1HB GLN 59 8.663 -15.822 1.199
484 1HG GLN 59 2HG GLN 59 6.330 -14.080 0.620
485 2HG GLN 59 1HG GLN 59 6.967 -15.098 -0.671
486 1HE2 GLN 59 1HE2 GLN 59 6.593 -17.250 -0.635
487 2HE2 GLN 59 2HE2 GLN 59 5.652 -18.052 0.571
488 H GLN 60 H GLN 60 8.851 -16.356 2.976
489 HA GLN 60 HA GLN 60 10.563 -15.773 5.165
490 1HB GLN 60 2HB GLN 60 10.826 -18.439 3.916
491 2HB GLN 60 1HB GLN 60 10.545 -18.005 5.596
492 1HG GLN 60 2HG GLN 60 8.181 -17.304 4.556
493 2HG GLN 60 1HG GLN 60 8.627 -18.590 3.438
494 1HE2 GLN 60 1HE2 GLN 60 9.748 -20.480 4.804
495 2HE2 GLN 60 2HE2 GLN 60 8.756 -21.059 6.095
496 H TYR 61 H TYR 61 11.095 -15.569 1.898
497 HA TYR 61 HA TYR 61 13.935 -16.266 2.094
498 1HB TYR 61 2HB TYR 61 12.920 -15.459 -0.538
499 2HB TYR 61 1HB TYR 61 13.867 -16.869 -0.080
500 HD1 TYR 61 1HD TYR 61 11.027 -16.084 -1.687
501 HD2 TYR 61 2HD TYR 61 12.217 -18.413 1.673
502 HE1 TYR 61 1HE TYR 61 9.030 -17.491 -1.957
503 HE2 TYR 61 2HE TYR 61 10.224 -19.825 1.405
504 HH TYR 61 HH TYR 61 7.902 -19.556 0.386
505 H GLY 62 H GLY 62 12.003 -13.593 2.408
506 1HA GLY 62 2HA GLY 62 12.556 -11.364 2.630
507 2HA GLY 62 1HA GLY 62 14.229 -11.803 2.325
508 H HIS 63 H HIS 63 13.091 -9.458 1.348
509 HA HIS 63 HA HIS 63 13.030 -8.202 -0.540
510 1HB HIS 63 2HB HIS 63 15.062 -9.343 -1.214
511 2HB HIS 63 1HB HIS 63 14.131 -10.699 -1.837
512 HD2 HIS 63 2HD HIS 63 13.286 -10.465 -4.403
513 HE1 HIS 63 1HE HIS 63 14.510 -6.449 -4.940
514 HE2 HIS 63 2HE HIS 63 13.415 -8.455 -6.038
515 H GLN 64 H GLN 64 12.268 -11.313 -2.010
516 HA GLN 64 HA GLN 64 10.460 -12.091 -3.120
517 1HB GLN 64 2HB GLN 64 9.329 -10.552 -0.899
518 2HB GLN 64 1HB GLN 64 8.223 -10.951 -2.211
519 1HG GLN 64 2HG GLN 64 8.362 -12.587 -0.297
520 2HG GLN 64 1HG GLN 64 8.537 -13.248 -1.923
521 1HE2 GLN 64 1HE2 GLN 64 10.568 -13.958 -2.615
522 2HE2 GLN 64 2HE2 GLN 64 11.842 -14.303 -1.500
523 H GLU 65 H GLU 65 8.677 -9.145 -2.653
524 HA GLU 65 HA GLU 65 9.152 -8.409 -5.468
525 1HB GLU 65 2HB GLU 65 6.834 -9.514 -4.508
526 2HB GLU 65 1HB GLU 65 6.483 -7.794 -4.410
527 1HG GLU 65 2HG GLU 65 7.689 -8.306 -6.931
528 2HG GLU 65 1HG GLU 65 6.416 -9.498 -6.677
529 H VAL 66 H VAL 66 9.159 -6.240 -5.971
530 HA VAL 66 HA VAL 66 8.720 -4.341 -3.775
531 HB VAL 66 HB VAL 66 11.115 -4.312 -5.619
532 1HG1 VAL 66 1HG1 VAL 66 11.155 -2.104 -5.330
533 2HG1 VAL 66 2HG1 VAL 66 11.374 -2.373 -3.602
534 3HG1 VAL 66 3HG1 VAL 66 9.751 -2.175 -4.265
535 1HG2 VAL 66 1HG2 VAL 66 12.183 -5.407 -4.007
536 2HG2 VAL 66 2HG2 VAL 66 10.688 -5.500 -3.077
537 3HG2 VAL 66 3HG2 VAL 66 11.778 -4.131 -2.860
538 H THR 67 H THR 67 7.429 -2.734 -4.339
539 HA THR 67 HA THR 67 7.314 -1.896 -7.144
540 HB THR 67 HB THR 67 5.177 -3.223 -5.650
541 HG1 THR 67 1HG THR 67 6.148 -3.003 -8.160
542 1HG2 THR 67 1HG2 THR 67 4.459 -0.814 -5.447
543 2HG2 THR 67 2HG2 THR 67 3.337 -1.851 -6.328
544 3HG2 THR 67 3HG2 THR 67 4.402 -0.754 -7.208
545 H ARG 68 H ARG 68 7.509 0.226 -7.323
546 HA ARG 68 HA ARG 68 6.939 1.896 -4.965
547 1HB ARG 68 2HB ARG 68 8.521 3.348 -6.795
548 2HB ARG 68 1HB ARG 68 8.998 2.710 -5.228
549 1HG ARG 68 2HG ARG 68 9.870 0.739 -6.182
550 2HG ARG 68 1HG ARG 68 9.094 1.055 -7.733
551 1HD ARG 68 2HD ARG 68 11.675 1.574 -7.264
552 2HD ARG 68 1HD ARG 68 10.697 2.511 -8.392
553 HE ARG 68 HE ARG 68 10.881 3.423 -5.620
554 1HH1 ARG 68 1HH1 ARG 68 11.738 3.830 -8.973
555 2HH1 ARG 68 2HH1 ARG 68 12.264 5.468 -8.773
556 1HH2 ARG 68 1HH2 ARG 68 11.567 5.579 -5.349
557 2HH2 ARG 68 2HH2 ARG 68 12.166 6.462 -6.714
558 H PHE 69 H PHE 69 5.341 3.330 -5.100
559 HA PHE 69 HA PHE 69 4.715 4.656 -7.586
560 1HB PHE 69 2HB PHE 69 2.419 3.931 -7.758
561 2HB PHE 69 1HB PHE 69 3.472 2.522 -7.786
562 HD1 PHE 69 1HD PHE 69 0.619 3.996 -6.313
563 HD2 PHE 69 2HD PHE 69 3.822 1.307 -5.524
564 HE1 PHE 69 1HE PHE 69 -0.675 3.001 -4.473
565 HE2 PHE 69 2HE PHE 69 2.534 0.308 -3.681
566 HZ PHE 69 HZ PHE 69 0.282 1.154 -3.154
567 H ASP 70 H ASP 70 4.144 6.681 -7.204
568 HA ASP 70 HA ASP 70 3.411 7.454 -4.482
569 1HB ASP 70 2HB ASP 70 3.619 9.778 -5.991
570 2HB ASP 70 1HB ASP 70 4.872 9.101 -4.957
571 H PHE 71 H PHE 71 1.419 8.202 -3.958
572 HA PHE 71 HA PHE 71 -0.449 8.885 -6.108
573 1HB PHE 71 2HB PHE 71 -2.183 7.502 -5.251
574 2HB PHE 71 1HB PHE 71 -0.754 6.474 -5.446
575 HD1 PHE 71 1HD PHE 71 0.620 5.941 -3.387
576 HD2 PHE 71 2HD PHE 71 -3.221 7.770 -3.189
577 HE1 PHE 71 1HE PHE 71 0.446 5.310 -1.016
578 HE2 PHE 71 2HE PHE 71 -3.400 7.135 -0.816
579 HZ PHE 71 HZ PHE 71 -1.566 5.906 0.272
580 H THR 72 H THR 72 -2.429 9.837 -5.337
581 HA THR 72 HA THR 72 -2.434 10.971 -2.674
582 HB THR 72 HB THR 72 -1.521 12.913 -3.382
583 HG1 THR 72 1HG THR 72 -3.070 14.344 -4.238
584 1HG2 THR 72 1HG2 THR 72 -1.466 11.559 -5.830
585 2HG2 THR 72 2HG2 THR 72 -0.632 13.056 -5.424
586 3HG2 THR 72 3HG2 THR 72 -2.227 13.110 -6.172
587 H THR 73 H THR 73 -4.515 11.100 -1.924
588 HA THR 73 HA THR 73 -6.646 10.238 -3.698
589 HB THR 73 HB THR 73 -6.388 9.516 -1.235
590 HG1 THR 73 1HG THR 73 -8.810 10.485 -2.357
591 1HG2 THR 73 1HG2 THR 73 -7.081 10.919 0.489
592 2HG2 THR 73 2HG2 THR 73 -7.930 12.011 -0.607
593 3HG2 THR 73 3HG2 THR 73 -6.169 12.020 -0.545
594 H THR 74 H THR 74 -5.291 12.785 -4.091
595 HA THR 74 HA THR 74 -7.636 14.531 -4.051
596 HB THR 74 HB THR 74 -6.750 15.814 -2.459
597 HG1 THR 74 1HG THR 74 -5.872 17.146 -3.982
598 1HG2 THR 74 1HG2 THR 74 -5.213 13.579 -2.175
599 2HG2 THR 74 2HG2 THR 74 -5.117 14.990 -1.116
600 3HG2 THR 74 3HG2 THR 74 -3.973 14.804 -2.449
601 H SER 75 H SER 75 -4.208 14.936 -4.917
602 HA SER 75 HA SER 75 -4.647 16.479 -7.179
603 1HB SER 75 2HB SER 75 -2.447 15.673 -5.785
604 2HB SER 75 1HB SER 75 -2.257 14.759 -7.282
605 HG SER 75 HG SER 75 -1.355 16.634 -7.808
606 H THR 76 H THR 76 -3.468 13.111 -7.282
607 HA THR 76 HA THR 76 -3.637 11.510 -8.897
608 HB THR 76 HB THR 76 -5.839 10.892 -9.582
609 HG1 THR 76 1HG THR 76 -6.974 12.553 -10.292
610 1HG2 THR 76 1HG2 THR 76 -7.149 11.202 -7.414
611 2HG2 THR 76 2HG2 THR 76 -5.759 12.121 -6.838
612 3HG2 THR 76 3HG2 THR 76 -5.571 10.426 -7.286
613 H SER 77 H SER 77 -2.553 13.962 -9.789
614 HA SER 77 HA SER 77 -1.929 15.035 -11.688
615 1HB SER 77 2HB SER 77 -2.615 12.339 -12.505
616 2HB SER 77 1HB SER 77 -2.924 13.494 -13.801
617 HG SER 77 HG SER 77 -0.500 12.963 -12.454
618 H THR 78 H THR 78 -3.186 15.159 -14.219
619 HA THR 78 HA THR 78 -4.582 16.624 -15.279
620 HB THR 78 HB THR 78 -5.897 14.492 -15.085
621 HG1 THR 78 1HG THR 78 -7.842 15.547 -15.750
622 1HG2 THR 78 1HG2 THR 78 -6.742 14.085 -13.036
623 2HG2 THR 78 2HG2 THR 78 -8.042 15.172 -13.527
624 3HG2 THR 78 3HG2 THR 78 -6.688 15.789 -12.573
625 HA PRO 79 HA PRO 79 -5.818 19.376 -11.724
626 1HB PRO 79 2HB PRO 79 -3.649 20.224 -10.503
627 2HB PRO 79 1HB PRO 79 -4.209 18.576 -10.226
628 1HG PRO 79 2HG PRO 79 -1.906 19.542 -11.840
629 2HG PRO 79 1HG PRO 79 -2.097 18.023 -10.948
630 1HD PRO 79 2HD PRO 79 -2.553 18.493 -13.743
631 2HD PRO 79 1HD PRO 79 -2.782 16.982 -12.841
632 H GLY 80 H GLY 80 -5.529 19.994 -14.466
633 1HA GLY 80 2HA GLY 80 -3.983 22.466 -14.607
634 2HA GLY 80 1HA GLY 80 -4.794 21.670 -15.945
635 H SER 81 H SER 81 -4.800 24.491 -14.887
636 HA SER 81 HA SER 81 -7.647 24.909 -15.193
637 1HB SER 81 2HB SER 81 -6.642 26.453 -12.906
638 2HB SER 81 1HB SER 81 -8.172 25.598 -13.104
639 HG SER 81 HG SER 81 -5.811 24.762 -11.956
640 H ARG 82 H ARG 82 -7.079 25.969 -17.098
641 HA ARG 82 HA ARG 82 -5.500 28.432 -16.800
642 1HB ARG 82 2HB ARG 82 -4.967 26.557 -18.546
643 2HB ARG 82 1HB ARG 82 -6.287 27.281 -19.452
644 1HG ARG 82 2HG ARG 82 -4.806 29.470 -18.795
645 2HG ARG 82 1HG ARG 82 -3.562 28.236 -19.010
646 1HD ARG 82 2HD ARG 82 -3.748 28.425 -21.212
647 2HD ARG 82 1HD ARG 82 -5.444 27.957 -21.113
648 HE ARG 82 HE ARG 82 -6.008 30.294 -20.946
649 1HH1 ARG 82 1HH1 ARG 82 -2.718 29.584 -21.842
650 2HH1 ARG 82 2HH1 ARG 82 -2.442 31.137 -22.558
651 1HH2 ARG 82 1HH2 ARG 82 -5.656 32.341 -21.886
652 2HH2 ARG 82 2HH2 ARG 82 -4.112 32.704 -22.583
653 H SER 83 H SER 83 -7.536 29.273 -15.762
654 HA SER 83 HA SER 83 -8.918 30.915 -17.638
655 1HB SER 83 2HB SER 83 -10.133 28.645 -17.726
656 2HB SER 83 1HB SER 83 -10.711 29.038 -16.107
657 HG SER 83 HG SER 83 -12.095 29.688 -17.916
658 H HIS 84 H HIS 84 -8.841 32.787 -16.589
659 HA HIS 84 HA HIS 84 -9.616 32.818 -13.748
660 1HB HIS 84 2HB HIS 84 -7.174 33.793 -15.020
661 2HB HIS 84 1HB HIS 84 -7.983 35.033 -14.067
662 HD2 HIS 84 2HD HIS 84 -8.619 31.776 -12.347
663 HE1 HIS 84 1HE HIS 84 -5.031 33.295 -10.697
664 HE2 HIS 84 2HE HIS 84 -6.968 31.697 -10.349
665 H HIS 85 H HIS 85 -8.915 35.279 -16.234
666 HA HIS 85 HA HIS 85 -11.593 36.397 -15.722
667 1HB HIS 85 2HB HIS 85 -8.927 37.699 -15.859
668 2HB HIS 85 1HB HIS 85 -10.275 38.569 -16.585
669 HD2 HIS 85 2HD HIS 85 -8.558 38.780 -13.450
670 HE1 HIS 85 1HE HIS 85 -12.630 39.048 -12.330
671 HE2 HIS 85 2HE HIS 85 -10.234 39.249 -11.527
672 H HIS 86 H HIS 86 -9.010 36.901 -18.133
673 HA HIS 86 HA HIS 86 -10.691 37.506 -20.261
674 1HB HIS 86 2HB HIS 86 -7.872 36.552 -20.033
675 2HB HIS 86 1HB HIS 86 -8.628 36.549 -21.623
676 HD2 HIS 86 2HD HIS 86 -7.098 38.636 -22.565
677 HE1 HIS 86 1HE HIS 86 -8.586 41.489 -19.818
678 HE2 HIS 86 2HE HIS 86 -7.054 41.115 -21.803
679 H HIS 87 H HIS 87 -11.702 36.354 -21.835
680 HA HIS 87 HA HIS 87 -11.713 33.424 -21.521
681 1HB HIS 87 2HB HIS 87 -13.858 35.282 -21.457
682 2HB HIS 87 1HB HIS 87 -14.024 34.345 -22.939
683 HD2 HIS 87 2HD HIS 87 -15.184 31.949 -22.622
684 HE1 HIS 87 1HE HIS 87 -14.764 31.707 -18.418
685 HE2 HIS 87 2HE HIS 87 -15.588 30.515 -20.500
686 H HIS 88 H HIS 88 -11.382 36.103 -23.692
687 HA HIS 88 HA HIS 88 -11.293 34.323 -26.018
688 1HB HIS 88 2HB HIS 88 -12.421 36.791 -25.737
689 2HB HIS 88 1HB HIS 88 -10.858 37.206 -26.432
690 HD2 HIS 88 2HD HIS 88 -14.012 37.087 -27.896
691 HE1 HIS 88 1HE HIS 88 -11.826 34.544 -30.477
692 HE2 HIS 88 2HE HIS 88 -14.017 35.775 -30.134
693 H HIS 89 H HIS 89 -9.302 33.324 -25.606
694 HA HIS 89 HA HIS 89 -6.947 35.085 -25.745
695 1HB HIS 89 2HB HIS 89 -5.755 32.928 -24.939
696 2HB HIS 89 1HB HIS 89 -6.707 33.849 -23.778
697 HD2 HIS 89 2HD HIS 89 -7.602 31.862 -22.184
698 HE1 HIS 89 1HE HIS 89 -9.270 29.474 -25.253
699 HE2 HIS 89 2HE HIS 89 -9.163 29.870 -22.752
Start of MODEL 20
1 1H MET 1 1HT MET 1 13.665 -11.203 -11.346
2 2H MET 1 2HT MET 1 13.519 -11.657 -12.969
3 3H MET 1 3HT MET 1 12.869 -10.187 -12.442
4 HA MET 1 HA MET 1 15.619 -10.894 -13.072
5 1HB MET 1 2HB MET 1 14.155 -8.252 -13.136
6 2HB MET 1 1HB MET 1 15.624 -8.678 -14.002
7 1HG MET 1 2HG MET 1 14.512 -9.849 -15.604
8 2HG MET 1 1HG MET 1 13.192 -10.289 -14.524
9 1HE MET 1 1HE MET 1 11.467 -7.823 -13.601
10 2HE MET 1 2HE MET 1 11.156 -9.377 -14.374
11 3HE MET 1 3HE MET 1 10.521 -7.895 -15.087
12 H ARG 2 H ARG 2 13.846 -9.751 -10.386
13 HA ARG 2 HA ARG 2 16.324 -9.188 -8.969
14 1HB ARG 2 2HB ARG 2 15.195 -7.044 -10.022
15 2HB ARG 2 1HB ARG 2 14.133 -7.186 -8.627
16 1HG ARG 2 2HG ARG 2 15.648 -6.016 -7.506
17 2HG ARG 2 1HG ARG 2 16.667 -7.455 -7.556
18 1HD ARG 2 2HD ARG 2 17.897 -5.517 -8.354
19 2HD ARG 2 1HD ARG 2 17.653 -6.676 -9.661
20 HE ARG 2 HE ARG 2 15.563 -4.832 -9.751
21 1HH1 ARG 2 1HH1 ARG 2 19.020 -4.905 -10.197
22 2HH1 ARG 2 2HH1 ARG 2 19.029 -3.592 -11.326
23 1HH2 ARG 2 1HH2 ARG 2 15.569 -3.106 -11.234
24 2HH2 ARG 2 2HH2 ARG 2 17.068 -2.568 -11.915
25 H GLY 3 H GLY 3 13.150 -10.346 -9.081
26 1HA GLY 3 2HA GLY 3 13.329 -11.521 -6.509
27 2HA GLY 3 1HA GLY 3 12.268 -10.123 -6.449
28 H SER 4 H SER 4 11.937 -11.202 -9.498
29 HA SER 4 HA SER 4 9.387 -12.394 -8.951
30 1HB SER 4 2HB SER 4 9.514 -12.771 -11.543
31 2HB SER 4 1HB SER 4 9.336 -11.137 -10.904
32 HG SER 4 HG SER 4 11.675 -12.393 -11.881
33 H ASN 5 H ASN 5 10.136 -14.212 -7.679
34 HA ASN 5 HA ASN 5 10.631 -16.534 -9.363
35 1HB ASN 5 2HB ASN 5 12.883 -15.851 -8.698
36 2HB ASN 5 1HB ASN 5 12.396 -15.836 -7.005
37 1HD2 ASN 5 1HD2 ASN 5 12.919 -17.880 -9.806
38 2HD2 ASN 5 2HD2 ASN 5 13.172 -19.344 -8.926
39 H ALA 6 H ALA 6 10.122 -18.547 -8.326
40 HA ALA 6 HA ALA 6 8.765 -19.895 -7.099
41 1HB ALA 6 1HB ALA 6 10.110 -18.155 -5.178
42 2HB ALA 6 2HB ALA 6 9.886 -19.904 -5.162
43 3HB ALA 6 3HB ALA 6 8.603 -18.846 -4.576
44 HA PRO 7 HA PRO 7 5.195 -16.963 -7.823
45 1HB PRO 7 2HB PRO 7 4.133 -19.464 -9.011
46 2HB PRO 7 1HB PRO 7 4.123 -17.820 -9.655
47 1HG PRO 7 2HG PRO 7 5.767 -19.672 -10.650
48 2HG PRO 7 1HG PRO 7 6.282 -17.985 -10.477
49 1HD PRO 7 2HD PRO 7 6.943 -20.354 -8.775
50 2HD PRO 7 1HD PRO 7 7.979 -19.002 -9.278
51 H GLN 8 H GLN 8 4.027 -16.709 -6.032
52 HA GLN 8 HA GLN 8 3.279 -19.007 -4.414
53 1HB GLN 8 2HB GLN 8 3.079 -16.026 -4.001
54 2HB GLN 8 1HB GLN 8 2.350 -17.177 -2.891
55 1HG GLN 8 2HG GLN 8 5.198 -17.597 -3.539
56 2HG GLN 8 1HG GLN 8 4.805 -16.174 -2.576
57 1HE2 GLN 8 1HE2 GLN 8 6.154 -17.400 -1.014
58 2HE2 GLN 8 2HE2 GLN 8 5.360 -18.533 0.020
59 HA PRO 9 HA PRO 9 -0.949 -19.675 -5.491
60 1HB PRO 9 2HB PRO 9 -1.618 -18.523 -2.797
61 2HB PRO 9 1HB PRO 9 -2.241 -19.986 -3.580
62 1HG PRO 9 2HG PRO 9 -0.370 -20.160 -1.698
63 2HG PRO 9 1HG PRO 9 -0.320 -21.209 -3.126
64 1HD PRO 9 2HD PRO 9 1.379 -18.877 -2.432
65 2HD PRO 9 1HD PRO 9 1.762 -20.304 -3.415
66 H SER 10 H SER 10 -1.320 -16.962 -3.273
67 HA SER 10 HA SER 10 -1.619 -14.954 -5.252
68 1HB SER 10 2HB SER 10 -3.992 -14.575 -5.157
69 2HB SER 10 1HB SER 10 -3.751 -16.271 -5.574
70 HG SER 10 HG SER 10 -4.891 -16.719 -3.881
71 H HIS 11 H HIS 11 -0.843 -15.948 -2.359
72 HA HIS 11 HA HIS 11 -1.266 -13.321 -1.128
73 1HB HIS 11 2HB HIS 11 -1.723 -14.367 1.033
74 2HB HIS 11 1HB HIS 11 -2.901 -14.887 -0.168
75 HD2 HIS 11 2HD HIS 11 -0.297 -16.353 2.227
76 HE1 HIS 11 1HE HIS 11 -1.808 -19.502 -0.162
77 HE2 HIS 11 2HE HIS 11 -0.271 -18.905 1.764
78 H ILE 12 H ILE 12 0.497 -12.467 -0.235
79 HA ILE 12 HA ILE 12 2.969 -14.029 -0.280
80 HB ILE 12 HB ILE 12 3.097 -11.896 -1.393
81 1HG1 ILE 12 2HG1 ILE 12 4.631 -10.756 0.644
82 2HG1 ILE 12 1HG1 ILE 12 4.676 -12.486 0.977
83 1HG2 ILE 12 1HG2 ILE 12 2.610 -10.313 1.060
84 2HG2 ILE 12 2HG2 ILE 12 1.206 -11.019 0.259
85 3HG2 ILE 12 3HG2 ILE 12 2.270 -9.927 -0.628
86 1HD1 ILE 12 1HD1 ILE 12 5.921 -12.940 -0.835
87 2HD1 ILE 12 2HD1 ILE 12 6.376 -11.243 -0.676
88 3HD1 ILE 12 3HD1 ILE 12 5.124 -11.716 -1.824
89 H SER 13 H SER 13 4.422 -14.023 1.546
90 HA SER 13 HA SER 13 3.346 -14.677 3.979
91 1HB SER 13 2HB SER 13 6.024 -13.739 3.092
92 2HB SER 13 1HB SER 13 5.698 -13.666 4.823
93 HG SER 13 HG SER 13 5.166 -15.891 4.732
94 H LYS 14 H LYS 14 4.306 -11.497 2.790
95 HA LYS 14 HA LYS 14 2.367 -10.144 4.310
96 1HB LYS 14 2HB LYS 14 3.675 -9.009 5.962
97 2HB LYS 14 1HB LYS 14 3.960 -10.734 6.146
98 1HG LYS 14 2HG LYS 14 6.075 -10.499 4.919
99 2HG LYS 14 1HG LYS 14 5.792 -8.762 4.795
100 1HD LYS 14 2HD LYS 14 5.738 -8.646 7.275
101 2HD LYS 14 1HD LYS 14 6.161 -10.359 7.327
102 1HE LYS 14 2HE LYS 14 8.079 -9.384 5.669
103 2HE LYS 14 1HE LYS 14 7.829 -8.012 6.747
104 1HZ LYS 14 1HZ LYS 14 9.326 -9.130 7.985
105 2HZ LYS 14 2HZ LYS 14 8.949 -10.637 7.314
106 3HZ LYS 14 3HZ LYS 14 7.960 -9.977 8.518
107 H TYR 15 H TYR 15 2.127 -8.048 3.681
108 HA TYR 15 HA TYR 15 3.845 -7.100 1.500
109 1HB TYR 15 2HB TYR 15 1.000 -7.059 1.995
110 2HB TYR 15 1HB TYR 15 1.589 -5.412 1.827
111 HD1 TYR 15 1HD TYR 15 2.975 -4.880 -0.292
112 HD2 TYR 15 2HD TYR 15 0.532 -8.346 0.118
113 HE1 TYR 15 1HE TYR 15 2.904 -5.116 -2.740
114 HE2 TYR 15 2HE TYR 15 0.458 -8.587 -2.328
115 HH TYR 15 HH TYR 15 0.800 -7.407 -4.307
116 H ILE 16 H ILE 16 4.706 -4.973 1.590
117 HA ILE 16 HA ILE 16 4.625 -3.782 4.280
118 HB ILE 16 HB ILE 16 6.904 -4.462 2.688
119 1HG1 ILE 16 2HG1 ILE 16 6.741 -4.783 5.096
120 2HG1 ILE 16 1HG1 ILE 16 8.101 -3.724 4.737
121 1HG2 ILE 16 1HG2 ILE 16 8.059 -2.448 2.368
122 2HG2 ILE 16 2HG2 ILE 16 6.988 -1.551 3.443
123 3HG2 ILE 16 3HG2 ILE 16 6.420 -2.039 1.847
124 1HD1 ILE 16 1HD1 ILE 16 5.575 -3.157 6.155
125 2HD1 ILE 16 2HD1 ILE 16 6.218 -1.872 5.132
126 3HD1 ILE 16 3HD1 ILE 16 7.203 -2.538 6.436
127 H LEU 17 H LEU 17 4.527 -1.583 4.490
128 HA LEU 17 HA LEU 17 3.965 -0.125 2.016
129 1HB LEU 17 2HB LEU 17 2.101 -0.685 3.989
130 2HB LEU 17 1HB LEU 17 2.613 0.954 4.351
131 HG LEU 17 HG LEU 17 2.208 1.145 1.673
132 1HD1 LEU 17 1HD1 LEU 17 -0.152 -0.464 2.521
133 2HD1 LEU 17 2HD1 LEU 17 1.295 -1.301 1.954
134 3HD1 LEU 17 3HD1 LEU 17 0.476 -0.143 0.904
135 1HD2 LEU 17 1HD2 LEU 17 -0.166 1.937 2.453
136 2HD2 LEU 17 2HD2 LEU 17 1.283 2.807 2.958
137 3HD2 LEU 17 3HD2 LEU 17 0.504 1.674 4.062
138 H ARG 18 H ARG 18 5.628 1.131 1.769
139 HA ARG 18 HA ARG 18 6.632 2.639 4.082
140 1HB ARG 18 2HB ARG 18 8.079 1.466 1.712
141 2HB ARG 18 1HB ARG 18 8.742 2.848 2.573
142 1HG ARG 18 2HG ARG 18 9.353 1.617 4.356
143 2HG ARG 18 1HG ARG 18 7.941 0.564 4.249
144 1HD ARG 18 2HD ARG 18 8.938 -0.836 2.704
145 2HD ARG 18 1HD ARG 18 10.073 0.402 2.164
146 HE ARG 18 HE ARG 18 10.485 -1.486 4.240
147 1HH1 ARG 18 1HH1 ARG 18 11.164 1.812 3.339
148 2HH1 ARG 18 2HH1 ARG 18 12.609 1.908 4.287
149 1HH2 ARG 18 1HH2 ARG 18 12.386 -1.365 5.494
150 2HH2 ARG 18 2HH2 ARG 18 13.305 0.103 5.512
151 H TRP 19 H TRP 19 6.249 4.802 3.877
152 HA TRP 19 HA TRP 19 6.143 5.880 1.192
153 1HB TRP 19 2HB TRP 19 3.903 6.143 0.963
154 2HB TRP 19 1HB TRP 19 3.878 4.751 2.033
155 HD1 TRP 19 HD TRP 19 3.591 8.602 2.263
156 HE1 TRP 19 1HE TRP 19 2.019 9.154 4.238
157 HE3 TRP 19 3HE TRP 19 2.784 3.869 4.005
158 HZ2 TRP 19 2HZ TRP 19 0.621 7.750 6.260
159 HZ3 TRP 19 3HZ TRP 19 1.317 3.555 5.955
160 HH2 TRP 19 HH TRP 19 0.259 5.458 7.058
161 H ARG 20 H ARG 20 5.855 8.069 0.993
162 HA ARG 20 HA ARG 20 5.790 9.823 3.236
163 1HB ARG 20 2HB ARG 20 7.958 10.669 3.227
164 2HB ARG 20 1HB ARG 20 8.263 8.957 2.976
165 1HG ARG 20 2HG ARG 20 7.935 10.662 0.574
166 2HG ARG 20 1HG ARG 20 9.420 10.829 1.514
167 1HD ARG 20 2HD ARG 20 9.094 8.104 1.331
168 2HD ARG 20 1HD ARG 20 8.543 8.676 -0.241
169 HE ARG 20 HE ARG 20 10.716 9.046 -0.765
170 1HH1 ARG 20 1HH1 ARG 20 10.425 9.186 2.704
171 2HH1 ARG 20 2HH1 ARG 20 12.119 9.434 2.962
172 1HH2 ARG 20 1HH2 ARG 20 12.943 9.375 -0.434
173 2HH2 ARG 20 2HH2 ARG 20 13.550 9.541 1.180
174 HA PRO 21 HA PRO 21 3.840 12.181 0.128
175 1HB PRO 21 2HB PRO 21 5.496 14.515 0.955
176 2HB PRO 21 1HB PRO 21 3.744 14.375 0.787
177 1HG PRO 21 2HG PRO 21 4.886 14.360 3.161
178 2HG PRO 21 1HG PRO 21 3.494 13.338 2.830
179 1HD PRO 21 2HD PRO 21 6.374 12.629 3.095
180 2HD PRO 21 1HD PRO 21 4.926 11.702 3.539
181 H LYS 22 H LYS 22 4.429 11.528 -1.730
182 HA LYS 22 HA LYS 22 6.514 10.980 -3.119
183 1HB LYS 22 2HB LYS 22 4.370 11.014 -4.094
184 2HB LYS 22 1HB LYS 22 4.299 12.777 -4.060
185 1HG LYS 22 2HG LYS 22 6.621 11.952 -5.515
186 2HG LYS 22 1HG LYS 22 5.200 11.120 -6.149
187 1HD LYS 22 2HD LYS 22 4.488 13.822 -5.670
188 2HD LYS 22 1HD LYS 22 6.014 13.815 -6.559
189 1HE LYS 22 2HE LYS 22 4.542 11.886 -7.850
190 2HE LYS 22 1HE LYS 22 3.324 13.093 -7.438
191 1HZ LYS 22 1HZ LYS 22 4.113 13.786 -9.484
192 2HZ LYS 22 2HZ LYS 22 5.719 13.390 -9.133
193 3HZ LYS 22 3HZ LYS 22 5.006 14.743 -8.413
194 H ASN 23 H ASN 23 5.597 14.440 -2.841
195 HA ASN 23 HA ASN 23 8.275 15.141 -3.816
196 1HB ASN 23 2HB ASN 23 6.969 17.529 -3.554
197 2HB ASN 23 1HB ASN 23 7.039 16.576 -5.033
198 1HD2 ASN 23 1HD2 ASN 23 5.130 16.746 -5.951
199 2HD2 ASN 23 2HD2 ASN 23 3.607 16.498 -5.175
200 H SER 24 H SER 24 6.052 15.799 -1.137
201 HA SER 24 HA SER 24 8.058 17.309 0.299
202 1HB SER 24 2HB SER 24 5.176 16.739 0.610
203 2HB SER 24 1HB SER 24 6.075 16.932 2.116
204 HG SER 24 HG SER 24 5.220 18.915 1.242
205 H VAL 25 H VAL 25 9.505 15.312 0.150
206 HA VAL 25 HA VAL 25 9.081 12.982 1.592
207 HB VAL 25 HB VAL 25 10.990 13.176 0.144
208 1HG1 VAL 25 1HG1 VAL 25 12.762 14.758 1.758
209 2HG1 VAL 25 2HG1 VAL 25 11.320 15.684 1.344
210 3HG1 VAL 25 3HG1 VAL 25 12.302 14.965 0.068
211 1HG2 VAL 25 1HG2 VAL 25 11.880 11.597 1.428
212 2HG2 VAL 25 2HG2 VAL 25 11.203 12.324 2.884
213 3HG2 VAL 25 3HG2 VAL 25 12.769 12.861 2.276
214 H GLY 26 H GLY 26 8.806 12.571 3.688
215 1HA GLY 26 2HA GLY 26 10.189 14.149 5.698
216 2HA GLY 26 1HA GLY 26 8.438 14.289 5.710
217 H ARG 27 H ARG 27 11.082 11.946 5.885
218 HA ARG 27 HA ARG 27 11.352 10.037 7.079
219 1HB ARG 27 2HB ARG 27 8.969 11.062 8.630
220 2HB ARG 27 1HB ARG 27 9.992 9.717 9.120
221 1HG ARG 27 2HG ARG 27 11.777 11.780 8.662
222 2HG ARG 27 1HG ARG 27 10.395 12.563 9.432
223 1HD ARG 27 2HD ARG 27 10.565 11.240 11.349
224 2HD ARG 27 1HD ARG 27 11.555 10.029 10.535
225 HE ARG 27 HE ARG 27 12.497 12.699 11.350
226 1HH1 ARG 27 1HH1 ARG 27 13.073 9.351 10.579
227 2HH1 ARG 27 2HH1 ARG 27 14.750 9.405 11.010
228 1HH2 ARG 27 1HH2 ARG 27 14.704 12.780 11.925
229 2HH2 ARG 27 2HH2 ARG 27 15.675 11.353 11.776
230 H TRP 28 H TRP 28 10.952 8.063 6.402
231 HA TRP 28 HA TRP 28 8.782 7.389 4.745
232 1HB TRP 28 2HB TRP 28 10.930 5.839 6.150
233 2HB TRP 28 1HB TRP 28 9.616 4.973 5.366
234 HD1 TRP 28 HD TRP 28 12.949 6.355 4.677
235 HE1 TRP 28 1HE TRP 28 13.423 6.375 2.148
236 HE3 TRP 28 3HE TRP 28 8.208 5.519 2.955
237 HZ2 TRP 28 2HZ TRP 28 11.979 6.075 -0.260
238 HZ3 TRP 28 3HZ TRP 28 7.836 5.406 0.525
239 HH2 TRP 28 HH TRP 28 9.686 5.674 -1.047
240 H LYS 29 H LYS 29 7.295 5.502 5.193
241 HA LYS 29 HA LYS 29 6.368 5.462 7.990
242 1HB LYS 29 2HB LYS 29 4.640 5.577 5.507
243 2HB LYS 29 1HB LYS 29 4.040 5.342 7.142
244 1HG LYS 29 2HG LYS 29 5.717 7.728 6.640
245 2HG LYS 29 1HG LYS 29 4.085 7.717 5.969
246 1HD LYS 29 2HD LYS 29 3.493 8.506 7.990
247 2HD LYS 29 1HD LYS 29 3.627 6.819 8.491
248 1HE LYS 29 2HE LYS 29 5.218 7.391 9.929
249 2HE LYS 29 1HE LYS 29 6.225 7.922 8.582
250 1HZ LYS 29 1HZ LYS 29 5.229 10.107 8.727
251 2HZ LYS 29 2HZ LYS 29 5.893 9.676 10.223
252 3HZ LYS 29 3HZ LYS 29 4.219 9.603 9.989
253 H GLU 30 H GLU 30 5.349 3.429 8.629
254 HA GLU 30 HA GLU 30 5.917 1.234 6.746
255 1HB GLU 30 2HB GLU 30 6.256 0.746 9.660
256 2HB GLU 30 1HB GLU 30 7.069 -0.001 8.291
257 1HG GLU 30 2HG GLU 30 7.667 2.833 8.560
258 2HG GLU 30 1HG GLU 30 8.129 1.885 9.972
259 H ALA 31 H ALA 31 4.293 -0.040 6.340
260 HA ALA 31 HA ALA 31 2.320 -0.671 8.396
261 1HB ALA 31 1HB ALA 31 1.777 0.962 6.033
262 2HB ALA 31 2HB ALA 31 0.822 0.737 7.499
263 3HB ALA 31 3HB ALA 31 0.708 -0.435 6.185
264 H THR 32 H THR 32 2.473 -2.851 8.508
265 HA THR 32 HA THR 32 2.993 -4.330 6.026
266 HB THR 32 HB THR 32 3.016 -5.695 8.680
267 HG1 THR 32 1HG THR 32 5.248 -5.005 8.877
268 1HG2 THR 32 1HG2 THR 32 3.542 -6.528 6.148
269 2HG2 THR 32 2HG2 THR 32 4.220 -7.272 7.596
270 3HG2 THR 32 3HG2 THR 32 5.159 -6.082 6.695
271 H ILE 33 H ILE 33 1.508 -5.520 5.089
272 HA ILE 33 HA ILE 33 -0.772 -6.530 6.629
273 HB ILE 33 HB ILE 33 -1.864 -5.921 4.154
274 1HG1 ILE 33 2HG1 ILE 33 0.316 -4.340 4.215
275 2HG1 ILE 33 1HG1 ILE 33 -1.178 -3.887 3.417
276 1HG2 ILE 33 1HG2 ILE 33 -2.977 -5.853 6.330
277 2HG2 ILE 33 2HG2 ILE 33 -3.263 -4.380 5.400
278 3HG2 ILE 33 3HG2 ILE 33 -2.100 -4.374 6.725
279 1HD1 ILE 33 1HD1 ILE 33 -0.047 -2.170 4.907
280 2HD1 ILE 33 2HD1 ILE 33 -0.618 -3.145 6.261
281 3HD1 ILE 33 3HD1 ILE 33 -1.775 -2.430 5.139
282 HA PRO 34 HA PRO 34 0.840 -9.972 4.152
283 1HB PRO 34 2HB PRO 34 -0.355 -11.948 5.548
284 2HB PRO 34 1HB PRO 34 1.102 -11.127 6.120
285 1HG PRO 34 2HG PRO 34 -1.754 -10.662 6.897
286 2HG PRO 34 1HG PRO 34 -0.318 -10.768 7.932
287 1HD PRO 34 2HD PRO 34 -1.415 -8.401 7.192
288 2HD PRO 34 1HD PRO 34 0.325 -8.601 7.475
289 H GLY 35 H GLY 35 -0.096 -10.065 2.205
290 1HA GLY 35 2HA GLY 35 -1.592 -10.619 0.559
291 2HA GLY 35 1HA GLY 35 -2.372 -11.648 1.748
292 H HIS 36 H HIS 36 -2.210 -8.427 2.763
293 HA HIS 36 HA HIS 36 -3.819 -6.861 3.137
294 1HB HIS 36 2HB HIS 36 -3.937 -7.516 0.285
295 2HB HIS 36 1HB HIS 36 -5.436 -6.831 0.904
296 HD2 HIS 36 2HD HIS 36 -4.144 -4.597 2.913
297 HE1 HIS 36 1HE HIS 36 -2.230 -3.246 -0.610
298 HE2 HIS 36 2HE HIS 36 -3.057 -2.584 1.693
299 H LEU 37 H LEU 37 -4.813 -8.081 4.800
300 HA LEU 37 HA LEU 37 -6.883 -9.949 4.334
301 1HB LEU 37 2HB LEU 37 -7.462 -9.007 6.829
302 2HB LEU 37 1HB LEU 37 -6.348 -10.307 6.474
303 HG LEU 37 HG LEU 37 -5.526 -8.591 8.108
304 1HD1 LEU 37 1HD1 LEU 37 -3.606 -9.521 7.531
305 2HD1 LEU 37 2HD1 LEU 37 -3.399 -8.238 6.339
306 3HD1 LEU 37 3HD1 LEU 37 -4.157 -9.761 5.873
307 1HD2 LEU 37 1HD2 LEU 37 -5.988 -6.473 7.526
308 2HD2 LEU 37 2HD2 LEU 37 -6.026 -6.841 5.802
309 3HD2 LEU 37 3HD2 LEU 37 -4.482 -6.592 6.617
310 H ASN 38 H ASN 38 -6.797 -6.550 4.182
311 HA ASN 38 HA ASN 38 -9.566 -6.444 3.439
312 1HB ASN 38 2HB ASN 38 -9.860 -4.476 5.192
313 2HB ASN 38 1HB ASN 38 -10.202 -6.148 5.627
314 1HD2 ASN 38 1HD2 ASN 38 -7.507 -3.844 5.552
315 2HD2 ASN 38 2HD2 ASN 38 -6.808 -4.353 7.048
316 H SER 39 H SER 39 -10.141 -3.905 3.261
317 HA SER 39 HA SER 39 -8.235 -2.896 1.364
318 1HB SER 39 2HB SER 39 -11.001 -2.559 1.856
319 2HB SER 39 1HB SER 39 -10.262 -0.965 2.004
320 HG SER 39 HG SER 39 -10.592 -1.117 -0.117
321 H TYR 40 H TYR 40 -6.414 -2.027 2.137
322 HA TYR 40 HA TYR 40 -6.548 -0.292 4.495
323 1HB TYR 40 2HB TYR 40 -4.866 -2.218 4.277
324 2HB TYR 40 1HB TYR 40 -4.027 -1.196 3.114
325 HD1 TYR 40 1HD TYR 40 -4.696 -1.822 6.613
326 HD2 TYR 40 2HD TYR 40 -3.068 0.983 3.860
327 HE1 TYR 40 1HE TYR 40 -3.536 -0.690 8.462
328 HE2 TYR 40 2HE TYR 40 -1.901 2.122 5.702
329 HH TYR 40 HH TYR 40 -1.051 1.293 8.134
330 H THR 41 H THR 41 -7.045 1.739 3.955
331 HA THR 41 HA THR 41 -5.531 2.985 1.754
332 HB THR 41 HB THR 41 -7.393 4.413 1.250
333 HG1 THR 41 1HG THR 41 -9.270 3.254 2.860
334 1HG2 THR 41 1HG2 THR 41 -8.710 1.742 1.577
335 2HG2 THR 41 2HG2 THR 41 -7.348 1.936 0.473
336 3HG2 THR 41 3HG2 THR 41 -8.817 2.882 0.236
337 H ILE 42 H ILE 42 -4.760 5.067 2.064
338 HA ILE 42 HA ILE 42 -4.570 5.901 4.861
339 HB ILE 42 HB ILE 42 -2.975 6.702 2.424
340 1HG1 ILE 42 2HG1 ILE 42 -1.330 5.713 4.473
341 2HG1 ILE 42 1HG1 ILE 42 -2.721 4.635 4.430
342 1HG2 ILE 42 1HG2 ILE 42 -3.014 8.659 3.695
343 2HG2 ILE 42 2HG2 ILE 42 -1.522 7.857 4.190
344 3HG2 ILE 42 3HG2 ILE 42 -2.950 7.778 5.223
345 1HD1 ILE 42 1HD1 ILE 42 -0.478 4.585 2.780
346 2HD1 ILE 42 2HD1 ILE 42 -1.795 5.181 1.769
347 3HD1 ILE 42 3HD1 ILE 42 -1.958 3.639 2.611
348 H LYS 43 H LYS 43 -5.435 7.759 5.600
349 HA LYS 43 HA LYS 43 -6.944 9.370 3.662
350 1HB LYS 43 2HB LYS 43 -7.396 9.233 6.637
351 2HB LYS 43 1HB LYS 43 -8.466 9.914 5.419
352 1HG LYS 43 2HG LYS 43 -7.740 7.052 5.169
353 2HG LYS 43 1HG LYS 43 -8.856 7.514 6.455
354 1HD LYS 43 2HD LYS 43 -10.046 8.831 4.526
355 2HD LYS 43 1HD LYS 43 -9.185 7.688 3.494
356 1HE LYS 43 2HE LYS 43 -10.756 6.172 3.898
357 2HE LYS 43 1HE LYS 43 -10.322 6.203 5.606
358 1HZ LYS 43 1HZ LYS 43 -12.331 7.933 4.269
359 2HZ LYS 43 2HZ LYS 43 -11.869 8.072 5.891
360 3HZ LYS 43 3HZ LYS 43 -12.649 6.671 5.351
361 H GLY 44 H GLY 44 -4.138 9.492 5.438
362 1HA GLY 44 2HA GLY 44 -4.079 12.022 6.595
363 2HA GLY 44 1HA GLY 44 -2.681 11.224 5.881
364 H LEU 45 H LEU 45 -2.823 11.216 3.379
365 HA LEU 45 HA LEU 45 -2.240 13.598 2.299
366 1HB LEU 45 2HB LEU 45 -3.561 12.512 0.167
367 2HB LEU 45 1HB LEU 45 -1.936 12.087 0.668
368 HG LEU 45 HG LEU 45 -4.005 10.563 2.063
369 1HD1 LEU 45 1HD1 LEU 45 -4.889 10.919 -0.327
370 2HD1 LEU 45 2HD1 LEU 45 -4.832 9.284 0.333
371 3HD1 LEU 45 3HD1 LEU 45 -3.589 9.822 -0.796
372 1HD2 LEU 45 1HD2 LEU 45 -1.391 10.044 0.711
373 2HD2 LEU 45 2HD2 LEU 45 -2.451 8.706 1.153
374 3HD2 LEU 45 3HD2 LEU 45 -1.848 9.801 2.398
375 H LYS 46 H LYS 46 -3.269 15.475 2.501
376 HA LYS 46 HA LYS 46 -6.183 15.516 2.211
377 1HB LYS 46 2HB LYS 46 -6.054 17.777 3.236
378 2HB LYS 46 1HB LYS 46 -5.399 16.520 4.276
379 1HG LYS 46 2HG LYS 46 -3.512 17.655 4.450
380 2HG LYS 46 1HG LYS 46 -3.268 17.518 2.707
381 1HD LYS 46 2HD LYS 46 -3.764 19.669 2.390
382 2HD LYS 46 1HD LYS 46 -5.242 19.535 3.345
383 1HE LYS 46 2HE LYS 46 -4.242 20.274 5.245
384 2HE LYS 46 1HE LYS 46 -2.686 19.551 4.836
385 1HZ LYS 46 1HZ LYS 46 -2.441 21.337 3.141
386 2HZ LYS 46 2HZ LYS 46 -2.448 21.896 4.736
387 3HZ LYS 46 3HZ LYS 46 -3.827 22.074 3.773
388 HA PRO 47 HA PRO 47 -6.515 17.432 -1.700
389 1HB PRO 47 2HB PRO 47 -7.598 19.939 -0.892
390 2HB PRO 47 1HB PRO 47 -8.462 18.522 -1.496
391 1HG PRO 47 2HG PRO 47 -8.006 19.405 1.301
392 2HG PRO 47 1HG PRO 47 -9.368 18.504 0.608
393 1HD PRO 47 2HD PRO 47 -7.546 17.287 2.139
394 2HD PRO 47 1HD PRO 47 -8.230 16.472 0.714
395 H GLY 48 H GLY 48 -4.507 17.799 -2.451
396 1HA GLY 48 2HA GLY 48 -3.295 19.772 -3.367
397 2HA GLY 48 1HA GLY 48 -3.238 20.360 -1.715
398 H VAL 49 H VAL 49 -2.782 17.266 -1.118
399 HA VAL 49 HA VAL 49 0.119 17.387 -1.627
400 HB VAL 49 HB VAL 49 -0.513 17.725 0.767
401 1HG1 VAL 49 1HG1 VAL 49 -1.653 14.996 0.353
402 2HG1 VAL 49 2HG1 VAL 49 -2.337 16.381 1.205
403 3HG1 VAL 49 3HG1 VAL 49 -1.022 15.461 1.933
404 1HG2 VAL 49 1HG2 VAL 49 1.083 15.842 1.563
405 2HG2 VAL 49 2HG2 VAL 49 1.694 17.070 0.456
406 3HG2 VAL 49 3HG2 VAL 49 1.240 15.478 -0.156
407 H VAL 50 H VAL 50 1.186 15.621 -2.312
408 HA VAL 50 HA VAL 50 -0.416 13.208 -2.862
409 HB VAL 50 HB VAL 50 0.272 14.031 -4.961
410 1HG1 VAL 50 1HG1 VAL 50 2.469 14.836 -5.494
411 2HG1 VAL 50 2HG1 VAL 50 3.072 14.372 -3.903
412 3HG1 VAL 50 3HG1 VAL 50 1.893 15.675 -4.054
413 1HG2 VAL 50 1HG2 VAL 50 1.042 12.074 -5.688
414 2HG2 VAL 50 2HG2 VAL 50 1.278 11.608 -4.004
415 3HG2 VAL 50 3HG2 VAL 50 2.604 12.335 -4.911
416 H TYR 51 H TYR 51 0.185 11.365 -1.868
417 HA TYR 51 HA TYR 51 2.735 11.370 -0.394
418 1HB TYR 51 2HB TYR 51 0.074 10.109 0.103
419 2HB TYR 51 1HB TYR 51 1.512 9.310 0.721
420 HD1 TYR 51 1HD TYR 51 -0.589 12.300 0.943
421 HD2 TYR 51 2HD TYR 51 2.731 10.223 2.584
422 HE1 TYR 51 1HE TYR 51 -0.680 13.739 2.928
423 HE2 TYR 51 2HE TYR 51 2.662 11.665 4.574
424 HH TYR 51 HH TYR 51 1.190 13.096 5.760
425 H GLU 52 H GLU 52 4.317 10.138 -1.193
426 HA GLU 52 HA GLU 52 3.727 8.174 -3.230
427 1HB GLU 52 2HB GLU 52 5.731 9.248 -3.701
428 2HB GLU 52 1HB GLU 52 6.225 9.286 -2.016
429 1HG GLU 52 2HG GLU 52 6.926 7.058 -2.049
430 2HG GLU 52 1HG GLU 52 6.046 6.711 -3.538
431 H GLY 53 H GLY 53 3.389 6.067 -2.891
432 1HA GLY 53 2HA GLY 53 4.053 5.002 -0.218
433 2HA GLY 53 1HA GLY 53 2.650 4.499 -1.147
434 H GLN 54 H GLN 54 4.764 2.838 -0.025
435 HA GLN 54 HA GLN 54 5.682 1.641 -2.564
436 1HB GLN 54 2HB GLN 54 7.302 1.820 -0.019
437 2HB GLN 54 1HB GLN 54 7.794 1.002 -1.496
438 1HG GLN 54 2HG GLN 54 7.111 3.616 -2.242
439 2HG GLN 54 1HG GLN 54 8.064 3.753 -0.765
440 1HE2 GLN 54 1HE2 GLN 54 9.123 4.797 -2.969
441 2HE2 GLN 54 2HE2 GLN 54 10.418 3.824 -3.569
442 H LEU 55 H LEU 55 4.813 -0.298 -2.811
443 HA LEU 55 HA LEU 55 4.067 -1.825 -0.422
444 1HB LEU 55 2HB LEU 55 3.124 -1.787 -3.251
445 2HB LEU 55 1HB LEU 55 2.973 -3.279 -2.343
446 HG LEU 55 HG LEU 55 1.903 -0.727 -1.206
447 1HD1 LEU 55 1HD1 LEU 55 1.113 -1.421 -3.667
448 2HD1 LEU 55 2HD1 LEU 55 0.030 -0.709 -2.470
449 3HD1 LEU 55 3HD1 LEU 55 0.046 -2.454 -2.715
450 1HD2 LEU 55 1HD2 LEU 55 2.107 -2.869 0.111
451 2HD2 LEU 55 2HD2 LEU 55 0.881 -3.541 -0.963
452 3HD2 LEU 55 3HD2 LEU 55 0.498 -2.149 0.049
453 H ILE 56 H ILE 56 5.713 -3.052 0.253
454 HA ILE 56 HA ILE 56 7.284 -4.513 -1.760
455 HB ILE 56 HB ILE 56 7.958 -3.603 1.027
456 1HG1 ILE 56 2HG1 ILE 56 9.967 -2.692 -0.165
457 2HG1 ILE 56 1HG1 ILE 56 9.240 -3.205 -1.681
458 1HG2 ILE 56 1HG2 ILE 56 9.125 -5.465 1.358
459 2HG2 ILE 56 2HG2 ILE 56 10.207 -4.908 0.080
460 3HG2 ILE 56 3HG2 ILE 56 8.877 -6.001 -0.304
461 1HD1 ILE 56 1HD1 ILE 56 7.966 -1.394 -1.769
462 2HD1 ILE 56 2HD1 ILE 56 8.938 -0.760 -0.439
463 3HD1 ILE 56 3HD1 ILE 56 7.424 -1.602 -0.103
464 H SER 57 H SER 57 6.655 -6.528 -2.020
465 HA SER 57 HA SER 57 5.250 -7.957 0.082
466 1HB SER 57 2HB SER 57 5.754 -8.343 -2.828
467 2HB SER 57 1HB SER 57 5.418 -9.770 -1.845
468 HG SER 57 HG SER 57 3.485 -8.960 -2.621
469 H ILE 58 H ILE 58 6.315 -9.206 1.503
470 HA ILE 58 HA ILE 58 8.944 -10.216 0.713
471 HB ILE 58 HB ILE 58 7.959 -9.246 3.361
472 1HG1 ILE 58 2HG1 ILE 58 10.120 -8.632 1.393
473 2HG1 ILE 58 1HG1 ILE 58 9.051 -7.536 2.259
474 1HG2 ILE 58 1HG2 ILE 58 10.342 -10.197 4.073
475 2HG2 ILE 58 2HG2 ILE 58 9.951 -11.387 2.831
476 3HG2 ILE 58 3HG2 ILE 58 8.872 -11.160 4.207
477 1HD1 ILE 58 1HD1 ILE 58 10.528 -8.531 4.302
478 2HD1 ILE 58 2HD1 ILE 58 10.886 -7.040 3.432
479 3HD1 ILE 58 3HD1 ILE 58 11.701 -8.539 2.985
480 H GLN 59 H GLN 59 9.396 -12.262 0.801
481 HA GLN 59 HA GLN 59 7.311 -14.145 1.600
482 1HB GLN 59 2HB GLN 59 9.212 -14.042 -0.529
483 2HB GLN 59 1HB GLN 59 9.565 -15.456 0.453
484 1HG GLN 59 2HG GLN 59 7.185 -16.128 0.232
485 2HG GLN 59 1HG GLN 59 6.958 -14.782 -0.885
486 1HE2 GLN 59 1HE2 GLN 59 9.341 -17.376 -0.408
487 2HE2 GLN 59 2HE2 GLN 59 9.379 -17.876 -2.061
488 H GLN 60 H GLN 60 8.621 -16.361 2.242
489 HA GLN 60 HA GLN 60 9.485 -15.900 4.885
490 1HB GLN 60 2HB GLN 60 10.158 -18.333 4.806
491 2HB GLN 60 1HB GLN 60 8.480 -17.995 4.396
492 1HG GLN 60 2HG GLN 60 8.717 -18.692 2.272
493 2HG GLN 60 1HG GLN 60 10.352 -18.048 2.130
494 1HE2 GLN 60 1HE2 GLN 60 12.032 -19.260 3.368
495 2HE2 GLN 60 2HE2 GLN 60 11.917 -20.984 3.390
496 H TYR 61 H TYR 61 11.139 -15.404 2.034
497 HA TYR 61 HA TYR 61 13.761 -15.999 3.217
498 1HB TYR 61 2HB TYR 61 12.919 -15.427 0.375
499 2HB TYR 61 1HB TYR 61 14.602 -15.555 0.877
500 HD1 TYR 61 1HD TYR 61 15.051 -17.793 2.342
501 HD2 TYR 61 2HD TYR 61 11.999 -17.300 -0.582
502 HE1 TYR 61 1HE TYR 61 14.959 -20.231 2.036
503 HE2 TYR 61 2HE TYR 61 11.899 -19.737 -0.896
504 HH TYR 61 HH TYR 61 12.455 -21.767 0.257
505 H GLY 62 H GLY 62 11.715 -13.496 3.250
506 1HA GLY 62 2HA GLY 62 12.249 -11.350 4.075
507 2HA GLY 62 1HA GLY 62 13.897 -11.564 3.505
508 H HIS 63 H HIS 63 14.258 -9.906 2.136
509 HA HIS 63 HA HIS 63 12.496 -8.439 0.662
510 1HB HIS 63 2HB HIS 63 15.323 -9.257 -0.010
511 2HB HIS 63 1HB HIS 63 14.417 -8.100 -0.981
512 HD2 HIS 63 2HD HIS 63 14.140 -5.579 0.088
513 HE1 HIS 63 1HE HIS 63 16.429 -6.361 3.560
514 HE2 HIS 63 2HE HIS 63 15.147 -4.597 2.266
515 H GLN 64 H GLN 64 10.848 -9.329 -0.431
516 HA GLN 64 HA GLN 64 11.450 -11.474 -2.336
517 1HB GLN 64 2HB GLN 64 9.901 -12.219 -0.719
518 2HB GLN 64 1HB GLN 64 8.939 -10.757 -0.863
519 1HG GLN 64 2HG GLN 64 7.758 -12.479 -1.956
520 2HG GLN 64 1HG GLN 64 8.427 -11.429 -3.204
521 1HE2 GLN 64 1HE2 GLN 64 10.458 -13.607 -1.446
522 2HE2 GLN 64 2HE2 GLN 64 10.726 -14.732 -2.725
523 H GLU 65 H GLU 65 9.331 -8.626 -2.025
524 HA GLU 65 HA GLU 65 9.741 -8.009 -4.837
525 1HB GLU 65 2HB GLU 65 7.381 -9.285 -3.894
526 2HB GLU 65 1HB GLU 65 6.959 -7.625 -4.300
527 1HG GLU 65 2HG GLU 65 8.359 -9.558 -6.139
528 2HG GLU 65 1HG GLU 65 6.636 -9.189 -6.170
529 H VAL 66 H VAL 66 9.475 -5.886 -5.370
530 HA VAL 66 HA VAL 66 8.705 -4.046 -3.219
531 HB VAL 66 HB VAL 66 10.959 -3.860 -2.948
532 1HG1 VAL 66 1HG1 VAL 66 11.572 -4.057 -5.869
533 2HG1 VAL 66 2HG1 VAL 66 11.289 -5.498 -4.888
534 3HG1 VAL 66 3HG1 VAL 66 12.613 -4.399 -4.486
535 1HG2 VAL 66 1HG2 VAL 66 10.897 -2.007 -5.298
536 2HG2 VAL 66 2HG2 VAL 66 11.621 -1.772 -3.707
537 3HG2 VAL 66 3HG2 VAL 66 9.869 -1.688 -3.901
538 H THR 67 H THR 67 7.438 -2.403 -3.865
539 HA THR 67 HA THR 67 7.420 -1.646 -6.693
540 HB THR 67 HB THR 67 5.345 -3.142 -5.416
541 HG1 THR 67 1HG THR 67 5.653 -1.961 -7.989
542 1HG2 THR 67 1HG2 THR 67 3.397 -1.826 -5.740
543 2HG2 THR 67 2HG2 THR 67 4.308 -0.541 -6.532
544 3HG2 THR 67 3HG2 THR 67 4.504 -0.822 -4.803
545 H ARG 68 H ARG 68 7.504 0.498 -6.955
546 HA ARG 68 HA ARG 68 6.810 2.208 -4.656
547 1HB ARG 68 2HB ARG 68 8.570 3.207 -6.843
548 2HB ARG 68 1HB ARG 68 8.583 3.593 -5.129
549 1HG ARG 68 2HG ARG 68 9.879 1.788 -4.586
550 2HG ARG 68 1HG ARG 68 9.331 0.841 -5.970
551 1HD ARG 68 2HD ARG 68 10.566 2.842 -7.259
552 2HD ARG 68 1HD ARG 68 11.505 2.834 -5.768
553 HE ARG 68 HE ARG 68 12.477 0.884 -6.446
554 1HH1 ARG 68 1HH1 ARG 68 9.543 1.359 -8.266
555 2HH1 ARG 68 2HH1 ARG 68 9.819 0.006 -9.310
556 1HH2 ARG 68 1HH2 ARG 68 12.851 -0.896 -7.821
557 2HH2 ARG 68 2HH2 ARG 68 11.698 -1.276 -9.057
558 H PHE 69 H PHE 69 5.123 3.533 -4.878
559 HA PHE 69 HA PHE 69 4.527 4.825 -7.399
560 1HB PHE 69 2HB PHE 69 2.673 2.787 -6.176
561 2HB PHE 69 1HB PHE 69 2.091 4.052 -7.251
562 HD1 PHE 69 1HD PHE 69 3.469 4.226 -9.527
563 HD2 PHE 69 2HD PHE 69 3.164 0.756 -7.083
564 HE1 PHE 69 1HE PHE 69 4.015 2.815 -11.468
565 HE2 PHE 69 2HE PHE 69 3.710 -0.661 -9.017
566 HZ PHE 69 HZ PHE 69 4.136 0.368 -11.215
567 H ASP 70 H ASP 70 3.883 6.859 -6.992
568 HA ASP 70 HA ASP 70 3.053 7.554 -4.289
569 1HB ASP 70 2HB ASP 70 3.114 9.894 -5.776
570 2HB ASP 70 1HB ASP 70 4.415 9.284 -4.758
571 H PHE 71 H PHE 71 1.057 8.360 -3.778
572 HA PHE 71 HA PHE 71 -0.855 8.865 -5.927
573 1HB PHE 71 2HB PHE 71 -2.502 7.368 -5.095
574 2HB PHE 71 1HB PHE 71 -1.007 6.438 -5.243
575 HD1 PHE 71 1HD PHE 71 0.049 5.498 -3.323
576 HD2 PHE 71 2HD PHE 71 -3.325 8.078 -2.873
577 HE1 PHE 71 1HE PHE 71 -0.143 4.831 -0.962
578 HE2 PHE 71 2HE PHE 71 -3.518 7.401 -0.513
579 HZ PHE 71 HZ PHE 71 -1.930 5.781 0.443
580 H THR 72 H THR 72 -2.816 9.852 -5.216
581 HA THR 72 HA THR 72 -2.906 10.906 -2.522
582 HB THR 72 HB THR 72 -1.843 12.801 -3.163
583 HG1 THR 72 1HG THR 72 -3.515 14.220 -4.366
584 1HG2 THR 72 1HG2 THR 72 -1.742 13.625 -5.510
585 2HG2 THR 72 2HG2 THR 72 -2.721 12.241 -5.997
586 3HG2 THR 72 3HG2 THR 72 -1.116 11.989 -5.312
587 H THR 73 H THR 73 -4.968 11.058 -1.849
588 HA THR 73 HA THR 73 -7.134 10.562 -3.767
589 HB THR 73 HB THR 73 -6.868 9.335 -1.464
590 HG1 THR 73 1HG THR 73 -8.798 9.504 -2.950
591 1HG2 THR 73 1HG2 THR 73 -7.047 11.991 -0.549
592 2HG2 THR 73 2HG2 THR 73 -7.080 10.518 0.424
593 3HG2 THR 73 3HG2 THR 73 -8.588 11.236 -0.142
594 H THR 74 H THR 74 -5.411 12.932 -3.007
595 HA THR 74 HA THR 74 -7.436 14.942 -2.371
596 HB THR 74 HB THR 74 -5.836 15.955 -1.166
597 HG1 THR 74 1HG THR 74 -3.551 15.946 -2.152
598 1HG2 THR 74 1HG2 THR 74 -3.805 13.824 -1.572
599 2HG2 THR 74 2HG2 THR 74 -5.389 13.297 -0.997
600 3HG2 THR 74 3HG2 THR 74 -4.474 14.490 -0.075
601 H SER 75 H SER 75 -5.256 13.823 -4.792
602 HA SER 75 HA SER 75 -5.551 16.251 -6.390
603 1HB SER 75 2HB SER 75 -3.331 14.947 -5.935
604 2HB SER 75 1HB SER 75 -3.922 13.864 -7.197
605 HG SER 75 HG SER 75 -3.785 15.460 -8.665
606 H THR 76 H THR 76 -7.876 14.778 -6.048
607 HA THR 76 HA THR 76 -8.311 13.757 -8.773
608 HB THR 76 HB THR 76 -9.985 12.152 -7.798
609 HG1 THR 76 1HG THR 76 -9.811 13.416 -5.661
610 1HG2 THR 76 1HG2 THR 76 -8.420 10.521 -7.770
611 2HG2 THR 76 2HG2 THR 76 -7.447 11.332 -6.542
612 3HG2 THR 76 3HG2 THR 76 -7.325 11.825 -8.232
613 H SER 77 H SER 77 -9.965 14.893 -5.821
614 HA SER 77 HA SER 77 -12.130 15.958 -7.483
615 1HB SER 77 2HB SER 77 -13.107 16.419 -5.088
616 2HB SER 77 1HB SER 77 -13.116 14.781 -5.744
617 HG SER 77 HG SER 77 -12.276 15.130 -3.514
618 H THR 78 H THR 78 -12.924 17.914 -5.467
619 HA THR 78 HA THR 78 -10.735 19.849 -5.462
620 HB THR 78 HB THR 78 -11.940 20.159 -7.615
621 HG1 THR 78 1HG THR 78 -12.557 22.497 -6.970
622 1HG2 THR 78 1HG2 THR 78 -14.158 19.597 -7.274
623 2HG2 THR 78 2HG2 THR 78 -14.238 21.360 -7.256
624 3HG2 THR 78 3HG2 THR 78 -14.248 20.460 -5.736
625 HA PRO 79 HA PRO 79 -13.885 20.489 -2.026
626 1HB PRO 79 2HB PRO 79 -13.583 18.562 -0.248
627 2HB PRO 79 1HB PRO 79 -14.483 18.259 -1.734
628 1HG PRO 79 2HG PRO 79 -11.721 17.424 -0.990
629 2HG PRO 79 1HG PRO 79 -12.935 16.564 -1.952
630 1HD PRO 79 2HD PRO 79 -10.786 18.124 -2.934
631 2HD PRO 79 1HD PRO 79 -12.139 17.466 -3.873
632 H GLY 80 H GLY 80 -13.473 20.820 0.423
633 1HA GLY 80 2HA GLY 80 -10.624 21.368 0.936
634 2HA GLY 80 1HA GLY 80 -11.814 22.642 1.157
635 H SER 81 H SER 81 -12.632 22.883 3.124
636 HA SER 81 HA SER 81 -13.047 22.552 5.335
637 1HB SER 81 2HB SER 81 -13.470 19.650 5.136
638 2HB SER 81 1HB SER 81 -14.568 20.915 5.685
639 HG SER 81 HG SER 81 -14.104 19.965 3.078
640 H ARG 82 H ARG 82 -12.639 20.344 7.009
641 HA ARG 82 HA ARG 82 -11.060 19.439 8.368
642 1HB ARG 82 2HB ARG 82 -10.595 18.390 5.930
643 2HB ARG 82 1HB ARG 82 -9.051 19.186 6.204
644 1HG ARG 82 2HG ARG 82 -8.906 17.976 8.385
645 2HG ARG 82 1HG ARG 82 -10.346 17.073 7.908
646 1HD ARG 82 2HD ARG 82 -8.641 15.661 7.242
647 2HD ARG 82 1HD ARG 82 -8.994 16.546 5.760
648 HE ARG 82 HE ARG 82 -6.997 17.799 6.080
649 1HH1 ARG 82 1HH1 ARG 82 -7.422 15.197 8.360
650 2HH1 ARG 82 2HH1 ARG 82 -5.750 15.149 8.811
651 1HH2 ARG 82 1HH2 ARG 82 -4.797 17.743 6.670
652 2HH2 ARG 82 2HH2 ARG 82 -4.259 16.595 7.850
653 H SER 83 H SER 83 -10.928 22.389 7.456
654 HA SER 83 HA SER 83 -8.697 23.073 9.097
655 1HB SER 83 2HB SER 83 -7.624 22.526 6.866
656 2HB SER 83 1HB SER 83 -8.477 23.920 6.204
657 HG SER 83 HG SER 83 -6.208 24.150 7.110
658 H HIS 84 H HIS 84 -9.505 25.146 6.425
659 HA HIS 84 HA HIS 84 -10.494 27.190 6.330
660 1HB HIS 84 2HB HIS 84 -12.386 25.422 7.706
661 2HB HIS 84 1HB HIS 84 -12.649 27.131 8.040
662 HD2 HIS 84 2HD HIS 84 -12.332 28.516 5.243
663 HE1 HIS 84 1HE HIS 84 -14.872 25.478 3.753
664 HE2 HIS 84 2HE HIS 84 -13.757 27.696 3.238
665 H HIS 85 H HIS 85 -8.512 26.573 8.501
666 HA HIS 85 HA HIS 85 -8.831 29.071 9.928
667 1HB HIS 85 2HB HIS 85 -9.675 26.696 11.153
668 2HB HIS 85 1HB HIS 85 -8.097 27.037 11.855
669 HD2 HIS 85 2HD HIS 85 -8.098 28.884 13.813
670 HE1 HIS 85 1HE HIS 85 -12.001 30.367 13.121
671 HE2 HIS 85 2HE HIS 85 -9.917 30.580 14.550
672 H HIS 86 H HIS 86 -6.848 29.220 11.564
673 HA HIS 86 HA HIS 86 -4.489 28.504 9.971
674 1HB HIS 86 2HB HIS 86 -5.290 30.894 11.283
675 2HB HIS 86 1HB HIS 86 -3.850 30.298 12.104
676 HD2 HIS 86 2HD HIS 86 -2.472 32.499 10.976
677 HE1 HIS 86 1HE HIS 86 -2.499 30.850 7.078
678 HE2 HIS 86 2HE HIS 86 -1.395 32.535 8.616
679 H HIS 87 H HIS 87 -4.292 26.366 10.729
680 HA HIS 87 HA HIS 87 -3.124 26.190 13.415
681 1HB HIS 87 2HB HIS 87 -5.374 24.552 12.301
682 2HB HIS 87 1HB HIS 87 -4.264 23.834 13.464
683 HD2 HIS 87 2HD HIS 87 -7.495 25.647 13.474
684 HE1 HIS 87 1HE HIS 87 -5.693 26.517 17.204
685 HE2 HIS 87 2HE HIS 87 -7.875 26.443 15.914
686 H HIS 88 H HIS 88 -1.331 24.952 13.555
687 HA HIS 88 HA HIS 88 0.514 23.809 12.873
688 1HB HIS 88 2HB HIS 88 -1.520 22.099 12.651
689 2HB HIS 88 1HB HIS 88 -1.073 22.178 10.951
690 HD2 HIS 88 2HD HIS 88 1.630 21.353 10.423
691 HE1 HIS 88 1HE HIS 88 1.851 19.153 14.032
692 HE2 HIS 88 2HE HIS 88 2.835 19.453 11.715
693 H HIS 89 H HIS 89 1.014 25.913 11.768
694 HA HIS 89 HA HIS 89 0.953 25.702 8.842
695 1HB HIS 89 2HB HIS 89 1.692 28.114 8.935
696 2HB HIS 89 1HB HIS 89 0.095 27.796 9.606
697 HD2 HIS 89 2HD HIS 89 3.699 28.697 10.840
698 HE1 HIS 89 1HE HIS 89 0.906 29.425 13.935
699 HE2 HIS 89 2HE HIS 89 3.355 29.504 13.281
Start of MODEL 21
1 1H MET 1 1HT MET 1 11.761 -34.221 7.488
2 2H MET 1 2HT MET 1 12.237 -35.727 8.095
3 3H MET 1 3HT MET 1 10.902 -34.929 8.763
4 HA MET 1 HA MET 1 10.313 -36.792 7.263
5 1HB MET 1 2HB MET 1 8.550 -35.516 6.133
6 2HB MET 1 1HB MET 1 8.765 -34.965 7.788
7 1HG MET 1 2HG MET 1 10.457 -33.390 6.185
8 2HG MET 1 1HG MET 1 8.905 -33.482 5.355
9 1HE MET 1 1HE MET 1 9.874 -30.271 7.491
10 2HE MET 1 2HE MET 1 10.940 -31.595 7.021
11 3HE MET 1 3HE MET 1 10.489 -31.384 8.713
12 H ARG 2 H ARG 2 12.769 -34.865 6.188
13 HA ARG 2 HA ARG 2 13.988 -34.707 4.274
14 1HB ARG 2 2HB ARG 2 13.912 -37.234 4.727
15 2HB ARG 2 1HB ARG 2 12.727 -37.308 3.430
16 1HG ARG 2 2HG ARG 2 14.480 -36.116 2.003
17 2HG ARG 2 1HG ARG 2 15.620 -36.543 3.282
18 1HD ARG 2 2HD ARG 2 15.076 -38.899 2.999
19 2HD ARG 2 1HD ARG 2 13.893 -38.490 1.757
20 HE ARG 2 HE ARG 2 16.784 -38.511 1.483
21 1HH1 ARG 2 1HH1 ARG 2 13.703 -37.616 0.123
22 2HH1 ARG 2 2HH1 ARG 2 14.309 -37.491 -1.495
23 1HH2 ARG 2 1HH2 ARG 2 17.590 -38.349 -0.645
24 2HH2 ARG 2 2HH2 ARG 2 16.518 -37.907 -1.932
25 H GLY 3 H GLY 3 12.022 -33.054 4.013
26 1HA GLY 3 2HA GLY 3 11.628 -32.466 1.425
27 2HA GLY 3 1HA GLY 3 10.364 -33.654 1.706
28 H SER 4 H SER 4 8.770 -32.082 1.269
29 HA SER 4 HA SER 4 7.215 -30.513 1.802
30 1HB SER 4 2HB SER 4 8.227 -31.317 4.515
31 2HB SER 4 1HB SER 4 7.029 -30.031 4.354
32 HG SER 4 HG SER 4 5.748 -31.734 4.440
33 H ASN 5 H ASN 5 8.185 -28.816 0.684
34 HA ASN 5 HA ASN 5 10.055 -27.089 2.090
35 1HB ASN 5 2HB ASN 5 8.951 -26.401 -0.598
36 2HB ASN 5 1HB ASN 5 10.574 -26.161 0.041
37 1HD2 ASN 5 1HD2 ASN 5 9.131 -27.639 -2.322
38 2HD2 ASN 5 2HD2 ASN 5 10.015 -29.120 -2.416
39 H ALA 6 H ALA 6 7.530 -27.215 3.279
40 HA ALA 6 HA ALA 6 5.940 -25.875 4.191
41 1HB ALA 6 1HB ALA 6 7.925 -23.910 3.184
42 2HB ALA 6 2HB ALA 6 7.359 -24.211 4.828
43 3HB ALA 6 3HB ALA 6 6.349 -23.310 3.698
44 HA PRO 7 HA PRO 7 3.138 -26.000 0.656
45 1HB PRO 7 2HB PRO 7 1.292 -25.104 2.818
46 2HB PRO 7 1HB PRO 7 1.094 -26.403 1.636
47 1HG PRO 7 2HG PRO 7 1.689 -26.957 4.169
48 2HG PRO 7 1HG PRO 7 2.415 -27.880 2.840
49 1HD PRO 7 2HD PRO 7 3.619 -25.755 4.554
50 2HD PRO 7 1HD PRO 7 4.367 -27.211 3.868
51 H GLN 8 H GLN 8 3.050 -24.381 -0.756
52 HA GLN 8 HA GLN 8 3.396 -21.662 -0.030
53 1HB GLN 8 2HB GLN 8 2.244 -22.485 -2.672
54 2HB GLN 8 1HB GLN 8 3.371 -21.185 -2.312
55 1HG GLN 8 2HG GLN 8 5.190 -22.612 -2.211
56 2HG GLN 8 1HG GLN 8 4.185 -24.035 -1.936
57 1HE2 GLN 8 1HE2 GLN 8 2.919 -24.827 -3.718
58 2HE2 GLN 8 2HE2 GLN 8 3.471 -24.584 -5.337
59 HA PRO 9 HA PRO 9 -0.922 -21.061 1.135
60 1HB PRO 9 2HB PRO 9 -0.021 -18.273 1.498
61 2HB PRO 9 1HB PRO 9 -0.778 -19.369 2.657
62 1HG PRO 9 2HG PRO 9 1.814 -18.715 2.840
63 2HG PRO 9 1HG PRO 9 1.232 -20.338 3.257
64 1HD PRO 9 2HD PRO 9 2.619 -19.402 0.774
65 2HD PRO 9 1HD PRO 9 2.838 -20.909 1.689
66 H SER 10 H SER 10 -2.629 -19.475 0.476
67 HA SER 10 HA SER 10 -2.503 -19.061 -2.367
68 1HB SER 10 2HB SER 10 -4.551 -19.762 -0.901
69 2HB SER 10 1HB SER 10 -4.731 -18.028 -0.640
70 HG SER 10 HG SER 10 -5.896 -18.959 -2.484
71 H HIS 11 H HIS 11 -1.245 -17.351 0.076
72 HA HIS 11 HA HIS 11 -1.252 -14.893 -1.479
73 1HB HIS 11 2HB HIS 11 -1.651 -13.587 0.697
74 2HB HIS 11 1HB HIS 11 -3.049 -14.332 -0.069
75 HD2 HIS 11 2HD HIS 11 -4.292 -16.327 1.366
76 HE1 HIS 11 1HE HIS 11 -1.779 -16.001 4.756
77 HE2 HIS 11 2HE HIS 11 -3.985 -16.894 3.879
78 H ILE 12 H ILE 12 0.204 -13.222 -0.235
79 HA ILE 12 HA ILE 12 2.759 -14.506 0.096
80 HB ILE 12 HB ILE 12 2.687 -12.420 -1.109
81 1HG1 ILE 12 2HG1 ILE 12 4.022 -11.094 0.993
82 2HG1 ILE 12 1HG1 ILE 12 4.295 -12.816 1.248
83 1HG2 ILE 12 1HG2 ILE 12 2.131 -10.589 1.047
84 2HG2 ILE 12 2HG2 ILE 12 0.776 -11.686 0.778
85 3HG2 ILE 12 3HG2 ILE 12 1.394 -10.703 -0.551
86 1HD1 ILE 12 1HD1 ILE 12 5.566 -13.027 -0.605
87 2HD1 ILE 12 2HD1 ILE 12 5.857 -11.317 -0.288
88 3HD1 ILE 12 3HD1 ILE 12 4.670 -11.799 -1.499
89 H SER 13 H SER 13 4.082 -14.449 1.948
90 HA SER 13 HA SER 13 2.930 -14.990 4.390
91 1HB SER 13 2HB SER 13 5.661 -13.800 3.840
92 2HB SER 13 1HB SER 13 5.166 -14.496 5.382
93 HG SER 13 HG SER 13 5.151 -15.899 2.915
94 H LYS 14 H LYS 14 4.160 -11.896 3.178
95 HA LYS 14 HA LYS 14 2.217 -10.394 4.577
96 1HB LYS 14 2HB LYS 14 3.870 -9.135 6.040
97 2HB LYS 14 1HB LYS 14 3.434 -10.752 6.571
98 1HG LYS 14 2HG LYS 14 5.594 -11.395 5.182
99 2HG LYS 14 1HG LYS 14 6.017 -9.720 5.548
100 1HD LYS 14 2HD LYS 14 5.006 -10.880 7.924
101 2HD LYS 14 1HD LYS 14 6.168 -12.016 7.236
102 1HE LYS 14 2HE LYS 14 7.748 -10.055 7.008
103 2HE LYS 14 1HE LYS 14 6.612 -9.138 7.995
104 1HZ LYS 14 1HZ LYS 14 7.250 -11.661 9.165
105 2HZ LYS 14 2HZ LYS 14 7.360 -10.111 9.831
106 3HZ LYS 14 3HZ LYS 14 8.638 -10.728 8.911
107 H TYR 15 H TYR 15 2.113 -8.300 3.869
108 HA TYR 15 HA TYR 15 4.025 -7.536 1.762
109 1HB TYR 15 2HB TYR 15 1.246 -7.673 1.692
110 2HB TYR 15 1HB TYR 15 1.566 -5.959 1.931
111 HD1 TYR 15 1HD TYR 15 3.629 -5.123 0.314
112 HD2 TYR 15 2HD TYR 15 0.922 -8.310 -0.478
113 HE1 TYR 15 1HE TYR 15 4.037 -4.861 -2.097
114 HE2 TYR 15 2HE TYR 15 1.321 -8.057 -2.889
115 HH TYR 15 HH TYR 15 2.242 -5.738 -4.367
116 H ILE 16 H ILE 16 4.878 -5.415 1.772
117 HA ILE 16 HA ILE 16 4.475 -3.987 4.311
118 HB ILE 16 HB ILE 16 6.906 -4.900 3.190
119 1HG1 ILE 16 2HG1 ILE 16 6.379 -4.740 5.574
120 2HG1 ILE 16 1HG1 ILE 16 7.865 -3.866 5.213
121 1HG2 ILE 16 1HG2 ILE 16 6.877 -2.873 1.775
122 2HG2 ILE 16 2HG2 ILE 16 8.212 -2.874 2.928
123 3HG2 ILE 16 3HG2 ILE 16 6.786 -1.880 3.231
124 1HD1 ILE 16 1HD1 ILE 16 6.463 -2.639 6.778
125 2HD1 ILE 16 2HD1 ILE 16 5.146 -2.627 5.603
126 3HD1 ILE 16 3HD1 ILE 16 6.642 -1.756 5.261
127 H LEU 17 H LEU 17 4.251 -1.785 4.276
128 HA LEU 17 HA LEU 17 3.956 -0.575 1.615
129 1HB LEU 17 2HB LEU 17 1.931 -1.009 3.451
130 2HB LEU 17 1HB LEU 17 2.376 0.665 3.727
131 HG LEU 17 HG LEU 17 2.110 0.110 0.897
132 1HD1 LEU 17 1HD1 LEU 17 -0.361 -0.126 0.934
133 2HD1 LEU 17 2HD1 LEU 17 -0.262 -0.447 2.665
134 3HD1 LEU 17 3HD1 LEU 17 0.501 -1.549 1.518
135 1HD2 LEU 17 1HD2 LEU 17 0.200 1.942 1.607
136 2HD2 LEU 17 2HD2 LEU 17 1.870 2.312 1.174
137 3HD2 LEU 17 3HD2 LEU 17 1.416 2.140 2.871
138 H ARG 18 H ARG 18 5.567 0.794 1.374
139 HA ARG 18 HA ARG 18 6.348 2.436 3.683
140 1HB ARG 18 2HB ARG 18 8.352 2.319 1.584
141 2HB ARG 18 1HB ARG 18 8.514 1.990 3.304
142 1HG ARG 18 2HG ARG 18 7.224 -0.232 2.531
143 2HG ARG 18 1HG ARG 18 8.121 0.139 1.055
144 1HD ARG 18 2HD ARG 18 9.391 0.017 3.783
145 2HD ARG 18 1HD ARG 18 9.283 -1.375 2.703
146 HE ARG 18 HE ARG 18 10.474 0.381 1.114
147 1HH1 ARG 18 1HH1 ARG 18 11.081 -0.375 4.460
148 2HH1 ARG 18 2HH1 ARG 18 12.769 0.003 4.373
149 1HH2 ARG 18 1HH2 ARG 18 12.697 0.877 0.988
150 2HH2 ARG 18 2HH2 ARG 18 13.689 0.714 2.400
151 H TRP 19 H TRP 19 6.092 4.579 3.448
152 HA TRP 19 HA TRP 19 6.208 5.750 0.817
153 1HB TRP 19 2HB TRP 19 4.008 6.175 0.416
154 2HB TRP 19 1HB TRP 19 3.836 4.680 1.321
155 HD1 TRP 19 HD TRP 19 3.489 8.504 1.810
156 HE1 TRP 19 1HE TRP 19 1.812 8.900 3.732
157 HE3 TRP 19 3HE TRP 19 2.776 3.659 3.301
158 HZ2 TRP 19 2HZ TRP 19 0.393 7.367 5.630
159 HZ3 TRP 19 3HZ TRP 19 1.248 3.213 5.178
160 HH2 TRP 19 HH TRP 19 0.082 5.030 6.317
161 H ARG 20 H ARG 20 5.798 8.003 0.758
162 HA ARG 20 HA ARG 20 5.696 9.546 3.154
163 1HB ARG 20 2HB ARG 20 7.848 10.446 3.201
164 2HB ARG 20 1HB ARG 20 8.153 8.747 2.868
165 1HG ARG 20 2HG ARG 20 8.000 10.852 0.726
166 2HG ARG 20 1HG ARG 20 9.500 10.368 1.521
167 1HD ARG 20 2HD ARG 20 8.949 8.000 0.822
168 2HD ARG 20 1HD ARG 20 7.679 8.690 -0.191
169 HE ARG 20 HE ARG 20 10.437 8.595 -0.792
170 1HH1 ARG 20 1HH1 ARG 20 7.658 10.681 -1.057
171 2HH1 ARG 20 2HH1 ARG 20 8.260 11.520 -2.447
172 1HH2 ARG 20 1HH2 ARG 20 11.240 9.696 -2.620
173 2HH2 ARG 20 2HH2 ARG 20 10.295 10.958 -3.338
174 HA PRO 21 HA PRO 21 3.693 12.278 0.337
175 1HB PRO 21 2HB PRO 21 4.614 14.689 1.404
176 2HB PRO 21 1HB PRO 21 3.184 13.806 1.947
177 1HG PRO 21 2HG PRO 21 5.948 13.804 3.043
178 2HG PRO 21 1HG PRO 21 4.410 13.794 3.918
179 1HD PRO 21 2HD PRO 21 5.868 11.589 3.687
180 2HD PRO 21 1HD PRO 21 4.097 11.515 3.524
181 H LYS 22 H LYS 22 4.478 12.278 -1.651
182 HA LYS 22 HA LYS 22 7.064 12.561 -2.520
183 1HB LYS 22 2HB LYS 22 4.969 11.816 -3.793
184 2HB LYS 22 1HB LYS 22 4.712 13.518 -4.128
185 1HG LYS 22 2HG LYS 22 5.928 12.041 -5.865
186 2HG LYS 22 1HG LYS 22 6.537 13.662 -5.529
187 1HD LYS 22 2HD LYS 22 8.246 12.743 -4.066
188 2HD LYS 22 1HD LYS 22 7.598 11.118 -4.295
189 1HE LYS 22 2HE LYS 22 8.506 10.900 -6.361
190 2HE LYS 22 1HE LYS 22 8.309 12.609 -6.745
191 1HZ LYS 22 1HZ LYS 22 10.255 11.956 -4.678
192 2HZ LYS 22 2HZ LYS 22 10.323 13.125 -5.898
193 3HZ LYS 22 3HZ LYS 22 10.660 11.508 -6.259
194 H ASN 23 H ASN 23 4.726 15.120 -1.849
195 HA ASN 23 HA ASN 23 6.614 17.130 -2.833
196 1HB ASN 23 2HB ASN 23 3.866 16.965 -3.004
197 2HB ASN 23 1HB ASN 23 4.109 18.127 -1.702
198 1HD2 ASN 23 1HD2 ASN 23 5.087 17.376 -5.010
199 2HD2 ASN 23 2HD2 ASN 23 5.306 19.015 -5.507
200 H SER 24 H SER 24 4.845 16.280 0.130
201 HA SER 24 HA SER 24 6.114 18.371 1.642
202 1HB SER 24 2HB SER 24 4.233 18.026 2.818
203 2HB SER 24 1HB SER 24 3.967 16.454 2.064
204 HG SER 24 HG SER 24 5.179 17.092 4.469
205 H VAL 25 H VAL 25 7.978 18.292 2.694
206 HA VAL 25 HA VAL 25 9.652 15.986 2.529
207 HB VAL 25 HB VAL 25 10.745 18.091 2.428
208 1HG1 VAL 25 1HG1 VAL 25 9.309 19.629 3.404
209 2HG1 VAL 25 2HG1 VAL 25 10.673 19.599 4.521
210 3HG1 VAL 25 3HG1 VAL 25 9.195 18.718 4.910
211 1HG2 VAL 25 1HG2 VAL 25 11.715 17.755 5.098
212 2HG2 VAL 25 2HG2 VAL 25 12.485 17.324 3.572
213 3HG2 VAL 25 3HG2 VAL 25 11.417 16.174 4.376
214 H GLY 26 H GLY 26 9.470 14.262 3.791
215 1HA GLY 26 2HA GLY 26 9.284 14.571 6.667
216 2HA GLY 26 1HA GLY 26 7.896 13.792 5.923
217 H ARG 27 H ARG 27 8.682 12.068 7.462
218 HA ARG 27 HA ARG 27 10.957 10.549 6.424
219 1HB ARG 27 2HB ARG 27 9.424 10.556 8.989
220 2HB ARG 27 1HB ARG 27 10.268 9.089 8.514
221 1HG ARG 27 2HG ARG 27 11.824 10.167 9.831
222 2HG ARG 27 1HG ARG 27 12.309 10.641 8.200
223 1HD ARG 27 2HD ARG 27 12.318 12.536 9.770
224 2HD ARG 27 1HD ARG 27 11.176 12.765 8.445
225 HE ARG 27 HE ARG 27 9.856 11.606 10.648
226 1HH1 ARG 27 1HH1 ARG 27 11.267 14.623 9.620
227 2HH1 ARG 27 2HH1 ARG 27 10.230 15.594 10.611
228 1HH2 ARG 27 1HH2 ARG 27 8.491 12.876 11.958
229 2HH2 ARG 27 2HH2 ARG 27 8.654 14.601 11.942
230 H TRP 28 H TRP 28 10.735 8.204 6.141
231 HA TRP 28 HA TRP 28 8.584 7.556 4.434
232 1HB TRP 28 2HB TRP 28 10.802 5.975 5.694
233 2HB TRP 28 1HB TRP 28 9.515 5.145 4.828
234 HD1 TRP 28 HD TRP 28 12.652 7.167 4.280
235 HE1 TRP 28 1HE TRP 28 13.164 7.277 1.760
236 HE3 TRP 28 3HE TRP 28 8.276 5.232 2.477
237 HZ2 TRP 28 2HZ TRP 28 11.880 6.630 -0.672
238 HZ3 TRP 28 3HZ TRP 28 7.995 5.016 0.041
239 HH2 TRP 28 HH TRP 28 9.762 5.700 -1.499
240 H LYS 29 H LYS 29 7.418 5.343 4.828
241 HA LYS 29 HA LYS 29 6.413 5.174 7.580
242 1HB LYS 29 2HB LYS 29 4.968 6.465 5.654
243 2HB LYS 29 1HB LYS 29 4.369 4.821 5.484
244 1HG LYS 29 2HG LYS 29 2.984 5.239 7.158
245 2HG LYS 29 1HG LYS 29 4.386 5.299 8.227
246 1HD LYS 29 2HD LYS 29 4.585 7.755 7.434
247 2HD LYS 29 1HD LYS 29 2.912 7.553 6.912
248 1HE LYS 29 2HE LYS 29 2.775 6.543 9.414
249 2HE LYS 29 1HE LYS 29 4.046 7.745 9.624
250 1HZ LYS 29 1HZ LYS 29 1.226 8.116 9.228
251 2HZ LYS 29 2HZ LYS 29 2.167 9.078 8.203
252 3HZ LYS 29 3HZ LYS 29 2.374 9.175 9.878
253 H GLU 30 H GLU 30 5.270 3.102 7.984
254 HA GLU 30 HA GLU 30 5.848 1.007 6.022
255 1HB GLU 30 2HB GLU 30 6.464 -0.134 8.529
256 2HB GLU 30 1HB GLU 30 7.547 0.149 7.173
257 1HG GLU 30 2HG GLU 30 8.687 1.574 8.415
258 2HG GLU 30 1HG GLU 30 7.264 2.610 8.511
259 H ALA 31 H ALA 31 4.228 -0.376 5.811
260 HA ALA 31 HA ALA 31 2.409 -0.874 8.050
261 1HB ALA 31 1HB ALA 31 1.730 0.824 5.929
262 2HB ALA 31 2HB ALA 31 0.647 0.139 7.142
263 3HB ALA 31 3HB ALA 31 0.895 -0.697 5.607
264 H THR 32 H THR 32 2.460 -3.022 8.323
265 HA THR 32 HA THR 32 3.009 -4.736 6.028
266 HB THR 32 HB THR 32 2.640 -5.847 8.772
267 HG1 THR 32 1HG THR 32 4.437 -3.905 8.113
268 1HG2 THR 32 1HG2 THR 32 3.517 -7.641 7.783
269 2HG2 THR 32 2HG2 THR 32 4.971 -6.727 7.382
270 3HG2 THR 32 3HG2 THR 32 3.607 -6.751 6.264
271 H ILE 33 H ILE 33 1.397 -5.529 4.903
272 HA ILE 33 HA ILE 33 -1.091 -6.291 6.286
273 HB ILE 33 HB ILE 33 -1.615 -5.904 3.520
274 1HG1 ILE 33 2HG1 ILE 33 0.430 -4.399 3.674
275 2HG1 ILE 33 1HG1 ILE 33 -1.044 -3.638 3.092
276 1HG2 ILE 33 1HG2 ILE 33 -3.115 -4.075 4.488
277 2HG2 ILE 33 2HG2 ILE 33 -2.495 -4.581 6.059
278 3HG2 ILE 33 3HG2 ILE 33 -3.368 -5.729 5.045
279 1HD1 ILE 33 1HD1 ILE 33 -1.011 -3.292 5.881
280 2HD1 ILE 33 2HD1 ILE 33 -0.789 -2.073 4.625
281 3HD1 ILE 33 3HD1 ILE 33 0.608 -2.916 5.294
282 HA PRO 34 HA PRO 34 0.464 -10.259 4.752
283 1HB PRO 34 2HB PRO 34 -2.009 -11.246 6.032
284 2HB PRO 34 1HB PRO 34 -0.331 -11.742 6.279
285 1HG PRO 34 2HG PRO 34 -1.647 -10.292 8.111
286 2HG PRO 34 1HG PRO 34 0.083 -10.057 7.804
287 1HD PRO 34 2HD PRO 34 -2.245 -8.406 6.912
288 2HD PRO 34 1HD PRO 34 -0.636 -7.886 7.456
289 H GLY 35 H GLY 35 0.051 -9.776 2.562
290 1HA GLY 35 2HA GLY 35 -1.064 -9.860 0.548
291 2HA GLY 35 1HA GLY 35 -1.602 -11.412 1.166
292 H HIS 36 H HIS 36 -2.407 -8.023 1.947
293 HA HIS 36 HA HIS 36 -4.414 -6.983 2.229
294 1HB HIS 36 2HB HIS 36 -4.289 -7.638 -0.321
295 2HB HIS 36 1HB HIS 36 -5.613 -8.720 0.105
296 HD2 HIS 36 2HD HIS 36 -8.054 -7.571 0.244
297 HE1 HIS 36 1HE HIS 36 -6.727 -3.560 -0.013
298 HE2 HIS 36 2HE HIS 36 -8.751 -5.072 0.205
299 H LEU 37 H LEU 37 -4.274 -8.530 4.236
300 HA LEU 37 HA LEU 37 -6.082 -10.690 4.409
301 1HB LEU 37 2HB LEU 37 -5.698 -10.662 6.765
302 2HB LEU 37 1HB LEU 37 -4.184 -10.348 5.950
303 HG LEU 37 HG LEU 37 -4.121 -8.897 7.757
304 1HD1 LEU 37 1HD1 LEU 37 -5.407 -7.100 5.726
305 2HD1 LEU 37 2HD1 LEU 37 -3.772 -7.738 5.551
306 3HD1 LEU 37 3HD1 LEU 37 -4.172 -6.698 6.919
307 1HD2 LEU 37 1HD2 LEU 37 -6.030 -8.777 8.908
308 2HD2 LEU 37 2HD2 LEU 37 -7.029 -8.866 7.458
309 3HD2 LEU 37 3HD2 LEU 37 -6.324 -7.325 7.951
310 H ASN 38 H ASN 38 -6.563 -7.284 4.541
311 HA ASN 38 HA ASN 38 -9.382 -7.557 4.540
312 1HB ASN 38 2HB ASN 38 -10.024 -6.838 6.657
313 2HB ASN 38 1HB ASN 38 -8.663 -7.892 7.026
314 1HD2 ASN 38 1HD2 ASN 38 -9.946 -5.385 8.245
315 2HD2 ASN 38 2HD2 ASN 38 -8.588 -4.379 8.604
316 H SER 39 H SER 39 -10.259 -5.130 5.306
317 HA SER 39 HA SER 39 -9.163 -3.430 3.266
318 1HB SER 39 2HB SER 39 -11.010 -2.023 4.941
319 2HB SER 39 1HB SER 39 -11.241 -2.596 3.290
320 HG SER 39 HG SER 39 -11.645 -4.718 4.392
321 H TYR 40 H TYR 40 -7.258 -2.495 3.679
322 HA TYR 40 HA TYR 40 -6.765 -1.378 6.339
323 1HB TYR 40 2HB TYR 40 -4.468 -1.442 5.860
324 2HB TYR 40 1HB TYR 40 -5.091 -2.905 5.112
325 HD1 TYR 40 1HD TYR 40 -5.380 -3.000 2.638
326 HD2 TYR 40 2HD TYR 40 -3.446 0.268 4.559
327 HE1 TYR 40 1HE TYR 40 -4.385 -2.329 0.488
328 HE2 TYR 40 2HE TYR 40 -2.448 0.947 2.417
329 HH TYR 40 HH TYR 40 -3.492 0.028 -0.473
330 H THR 41 H THR 41 -6.781 0.748 6.721
331 HA THR 41 HA THR 41 -7.318 2.516 4.449
332 HB THR 41 HB THR 41 -9.001 2.581 6.189
333 HG1 THR 41 1HG THR 41 -9.138 4.693 5.993
334 1HG2 THR 41 1HG2 THR 41 -8.235 2.088 8.256
335 2HG2 THR 41 2HG2 THR 41 -7.985 3.829 8.375
336 3HG2 THR 41 3HG2 THR 41 -6.641 2.773 7.941
337 H ILE 42 H ILE 42 -6.267 4.461 4.153
338 HA ILE 42 HA ILE 42 -3.565 4.583 5.233
339 HB ILE 42 HB ILE 42 -4.903 5.846 2.851
340 1HG1 ILE 42 2HG1 ILE 42 -2.229 4.494 2.898
341 2HG1 ILE 42 1HG1 ILE 42 -3.695 3.519 2.961
342 1HG2 ILE 42 1HG2 ILE 42 -2.728 7.038 2.445
343 2HG2 ILE 42 2HG2 ILE 42 -2.299 6.670 4.115
344 3HG2 ILE 42 3HG2 ILE 42 -3.702 7.680 3.769
345 1HD1 ILE 42 1HD1 ILE 42 -2.598 5.164 0.753
346 2HD1 ILE 42 2HD1 ILE 42 -4.348 4.999 0.881
347 3HD1 ILE 42 3HD1 ILE 42 -3.336 3.563 0.718
348 H LYS 43 H LYS 43 -2.841 6.234 6.454
349 HA LYS 43 HA LYS 43 -4.226 7.506 8.311
350 1HB LYS 43 2HB LYS 43 -1.819 8.401 6.784
351 2HB LYS 43 1HB LYS 43 -2.503 9.453 8.015
352 1HG LYS 43 2HG LYS 43 -0.653 8.049 8.848
353 2HG LYS 43 1HG LYS 43 -2.167 7.782 9.710
354 1HD LYS 43 2HD LYS 43 -2.404 5.900 7.807
355 2HD LYS 43 1HD LYS 43 -0.644 5.973 7.929
356 1HE LYS 43 2HE LYS 43 -2.197 4.421 9.493
357 2HE LYS 43 1HE LYS 43 -0.619 5.038 9.980
358 1HZ LYS 43 1HZ LYS 43 -3.173 6.439 10.549
359 2HZ LYS 43 2HZ LYS 43 -1.643 6.799 11.176
360 3HZ LYS 43 3HZ LYS 43 -2.431 5.373 11.634
361 H GLY 44 H GLY 44 -3.908 8.762 5.002
362 1HA GLY 44 2HA GLY 44 -5.987 9.811 4.146
363 2HA GLY 44 1HA GLY 44 -6.055 10.682 5.668
364 H LEU 45 H LEU 45 -5.200 10.883 2.474
365 HA LEU 45 HA LEU 45 -3.169 12.947 2.926
366 1HB LEU 45 2HB LEU 45 -4.034 11.779 0.275
367 2HB LEU 45 1HB LEU 45 -2.605 12.734 0.607
368 HG LEU 45 HG LEU 45 -1.717 10.620 0.443
369 1HD1 LEU 45 1HD1 LEU 45 -0.857 10.073 2.508
370 2HD1 LEU 45 2HD1 LEU 45 -2.372 10.412 3.345
371 3HD1 LEU 45 3HD1 LEU 45 -1.376 11.741 2.755
372 1HD2 LEU 45 1HD2 LEU 45 -3.841 9.442 0.195
373 2HD2 LEU 45 2HD2 LEU 45 -4.087 9.520 1.940
374 3HD2 LEU 45 3HD2 LEU 45 -2.748 8.583 1.279
375 H LYS 46 H LYS 46 -3.729 15.020 2.878
376 HA LYS 46 HA LYS 46 -6.408 15.781 2.115
377 1HB LYS 46 2HB LYS 46 -5.988 17.851 3.175
378 2HB LYS 46 1HB LYS 46 -5.175 16.643 4.158
379 1HG LYS 46 2HG LYS 46 -3.589 17.983 2.043
380 2HG LYS 46 1HG LYS 46 -4.020 18.923 3.472
381 1HD LYS 46 2HD LYS 46 -3.136 16.863 4.779
382 2HD LYS 46 1HD LYS 46 -2.340 16.456 3.258
383 1HE LYS 46 2HE LYS 46 -1.795 19.151 3.615
384 2HE LYS 46 1HE LYS 46 -1.655 18.464 5.232
385 1HZ LYS 46 1HZ LYS 46 -0.394 16.835 3.251
386 2HZ LYS 46 2HZ LYS 46 0.239 17.461 4.689
387 3HZ LYS 46 3HZ LYS 46 0.253 18.399 3.283
388 HA PRO 47 HA PRO 47 -5.936 16.913 -2.124
389 1HB PRO 47 2HB PRO 47 -7.228 19.441 -1.705
390 2HB PRO 47 1HB PRO 47 -7.895 17.976 -2.424
391 1HG PRO 47 2HG PRO 47 -8.128 18.994 0.339
392 2HG PRO 47 1HG PRO 47 -9.209 17.914 -0.560
393 1HD PRO 47 2HD PRO 47 -7.665 17.006 1.434
394 2HD PRO 47 1HD PRO 47 -7.969 16.024 -0.017
395 H GLY 48 H GLY 48 -4.599 18.066 -3.409
396 1HA GLY 48 2HA GLY 48 -3.299 19.923 -4.049
397 2HA GLY 48 1HA GLY 48 -3.333 20.494 -2.392
398 H VAL 49 H VAL 49 -2.568 17.361 -2.019
399 HA VAL 49 HA VAL 49 0.317 17.896 -2.319
400 HB VAL 49 HB VAL 49 -0.408 15.951 -0.253
401 1HG1 VAL 49 1HG1 VAL 49 1.871 16.778 -0.668
402 2HG1 VAL 49 2HG1 VAL 49 1.327 17.112 0.976
403 3HG1 VAL 49 3HG1 VAL 49 1.347 18.404 -0.226
404 1HG2 VAL 49 1HG2 VAL 49 -2.228 17.739 -0.136
405 2HG2 VAL 49 2HG2 VAL 49 -0.945 18.844 0.364
406 3HG2 VAL 49 3HG2 VAL 49 -1.313 17.421 1.339
407 H VAL 50 H VAL 50 1.615 16.347 -3.161
408 HA VAL 50 HA VAL 50 0.297 13.945 -4.217
409 HB VAL 50 HB VAL 50 1.467 15.094 -5.936
410 1HG1 VAL 50 1HG1 VAL 50 2.839 16.562 -4.618
411 2HG1 VAL 50 2HG1 VAL 50 3.861 15.689 -5.760
412 3HG1 VAL 50 3HG1 VAL 50 3.823 15.208 -4.064
413 1HG2 VAL 50 1HG2 VAL 50 3.493 13.508 -6.335
414 2HG2 VAL 50 2HG2 VAL 50 1.853 12.857 -6.339
415 3HG2 VAL 50 3HG2 VAL 50 2.874 12.667 -4.913
416 H TYR 51 H TYR 51 0.583 12.033 -3.169
417 HA TYR 51 HA TYR 51 2.871 11.851 -1.321
418 1HB TYR 51 2HB TYR 51 0.114 10.656 -1.233
419 2HB TYR 51 1HB TYR 51 1.434 9.961 -0.300
420 HD1 TYR 51 1HD TYR 51 1.976 10.833 1.799
421 HD2 TYR 51 2HD TYR 51 -0.410 13.140 -0.861
422 HE1 TYR 51 1HE TYR 51 1.570 12.465 3.591
423 HE2 TYR 51 2HE TYR 51 -0.823 14.781 0.923
424 HH TYR 51 HH TYR 51 -0.614 14.343 3.912
425 H GLU 52 H GLU 52 4.334 10.267 -1.563
426 HA GLU 52 HA GLU 52 3.982 8.468 -3.844
427 1HB GLU 52 2HB GLU 52 6.049 9.404 -4.153
428 2HB GLU 52 1HB GLU 52 6.310 9.656 -2.434
429 1HG GLU 52 2HG GLU 52 7.444 7.757 -2.221
430 2HG GLU 52 1HG GLU 52 6.260 6.843 -3.155
431 H GLY 53 H GLY 53 3.639 6.349 -3.580
432 1HA GLY 53 2HA GLY 53 4.073 5.210 -0.889
433 2HA GLY 53 1HA GLY 53 2.650 4.831 -1.847
434 H GLN 54 H GLN 54 4.665 3.030 -0.731
435 HA GLN 54 HA GLN 54 5.476 1.753 -3.260
436 1HB GLN 54 2HB GLN 54 7.503 2.675 -2.439
437 2HB GLN 54 1HB GLN 54 7.153 2.170 -0.793
438 1HG GLN 54 2HG GLN 54 7.419 -0.172 -1.465
439 2HG GLN 54 1HG GLN 54 7.801 0.353 -3.104
440 1HE2 GLN 54 1HE2 GLN 54 9.877 -0.109 -3.369
441 2HE2 GLN 54 2HE2 GLN 54 11.157 0.375 -2.314
442 H LEU 55 H LEU 55 5.376 -0.466 -3.331
443 HA LEU 55 HA LEU 55 4.233 -1.816 -0.974
444 1HB LEU 55 2HB LEU 55 3.158 -1.533 -3.625
445 2HB LEU 55 1HB LEU 55 3.488 -3.225 -3.305
446 HG LEU 55 HG LEU 55 2.094 -3.109 -1.277
447 1HD1 LEU 55 1HD1 LEU 55 0.724 -0.657 -1.907
448 2HD1 LEU 55 2HD1 LEU 55 2.425 -0.357 -1.554
449 3HD1 LEU 55 3HD1 LEU 55 1.415 -1.201 -0.379
450 1HD2 LEU 55 1HD2 LEU 55 1.078 -3.861 -3.328
451 2HD2 LEU 55 2HD2 LEU 55 0.779 -2.198 -3.832
452 3HD2 LEU 55 3HD2 LEU 55 -0.076 -2.865 -2.442
453 H ILE 56 H ILE 56 5.838 -3.052 -0.196
454 HA ILE 56 HA ILE 56 7.456 -4.592 -2.115
455 HB ILE 56 HB ILE 56 8.162 -3.605 0.649
456 1HG1 ILE 56 2HG1 ILE 56 9.433 -3.104 -2.049
457 2HG1 ILE 56 1HG1 ILE 56 8.359 -1.991 -1.222
458 1HG2 ILE 56 1HG2 ILE 56 10.451 -4.666 -0.140
459 2HG2 ILE 56 2HG2 ILE 56 9.368 -5.739 -1.025
460 3HG2 ILE 56 3HG2 ILE 56 9.242 -5.611 0.729
461 1HD1 ILE 56 1HD1 ILE 56 10.006 -1.188 0.029
462 2HD1 ILE 56 2HD1 ILE 56 11.101 -2.039 -1.059
463 3HD1 ILE 56 3HD1 ILE 56 10.583 -2.802 0.444
464 H SER 57 H SER 57 6.960 -6.693 -2.196
465 HA SER 57 HA SER 57 5.438 -7.921 -0.072
466 1HB SER 57 2HB SER 57 6.564 -9.444 -2.399
467 2HB SER 57 1HB SER 57 5.064 -9.714 -1.510
468 HG SER 57 HG SER 57 4.171 -8.606 -3.045
469 H ILE 58 H ILE 58 6.085 -9.403 1.329
470 HA ILE 58 HA ILE 58 8.941 -10.091 1.393
471 HB ILE 58 HB ILE 58 7.099 -9.277 3.601
472 1HG1 ILE 58 2HG1 ILE 58 9.903 -8.628 2.708
473 2HG1 ILE 58 1HG1 ILE 58 8.506 -7.563 2.760
474 1HG2 ILE 58 1HG2 ILE 58 8.614 -10.210 5.262
475 2HG2 ILE 58 2HG2 ILE 58 9.583 -10.943 3.985
476 3HG2 ILE 58 3HG2 ILE 58 7.928 -11.487 4.259
477 1HD1 ILE 58 1HD1 ILE 58 8.819 -8.357 5.386
478 2HD1 ILE 58 2HD1 ILE 58 9.307 -6.813 4.686
479 3HD1 ILE 58 3HD1 ILE 58 10.468 -8.136 4.801
480 H GLN 59 H GLN 59 9.503 -12.176 1.527
481 HA GLN 59 HA GLN 59 7.367 -14.173 1.632
482 1HB GLN 59 2HB GLN 59 9.716 -13.960 0.111
483 2HB GLN 59 1HB GLN 59 10.024 -15.262 1.250
484 1HG GLN 59 2HG GLN 59 8.137 -15.125 -1.015
485 2HG GLN 59 1HG GLN 59 9.090 -16.477 -0.408
486 1HE2 GLN 59 1HE2 GLN 59 6.103 -14.747 -0.195
487 2HE2 GLN 59 2HE2 GLN 59 5.271 -15.884 0.806
488 H GLN 60 H GLN 60 8.449 -16.367 2.622
489 HA GLN 60 HA GLN 60 8.436 -15.979 5.404
490 1HB GLN 60 2HB GLN 60 9.174 -18.364 5.514
491 2HB GLN 60 1HB GLN 60 7.765 -18.101 4.497
492 1HG GLN 60 2HG GLN 60 8.812 -19.210 2.897
493 2HG GLN 60 1HG GLN 60 9.939 -17.859 2.779
494 1HE2 GLN 60 1HE2 GLN 60 11.790 -18.926 2.372
495 2HE2 GLN 60 2HE2 GLN 60 12.508 -20.082 3.436
496 H TYR 61 H TYR 61 11.013 -16.054 3.061
497 HA TYR 61 HA TYR 61 13.017 -15.928 5.201
498 1HB TYR 61 2HB TYR 61 14.668 -16.494 3.543
499 2HB TYR 61 1HB TYR 61 13.323 -17.618 3.385
500 HD1 TYR 61 1HD TYR 61 11.717 -17.350 1.488
501 HD2 TYR 61 2HD TYR 61 15.300 -15.070 1.750
502 HE1 TYR 61 1HE TYR 61 11.539 -16.806 -0.903
503 HE2 TYR 61 2HE TYR 61 15.130 -14.518 -0.641
504 HH TYR 61 HH TYR 61 13.344 -14.378 -2.378
505 H GLY 62 H GLY 62 11.180 -13.872 3.430
506 1HA GLY 62 2HA GLY 62 11.376 -11.517 3.576
507 2HA GLY 62 1HA GLY 62 13.107 -11.700 3.811
508 H HIS 63 H HIS 63 11.811 -9.905 1.991
509 HA HIS 63 HA HIS 63 12.099 -9.101 -0.115
510 1HB HIS 63 2HB HIS 63 14.424 -9.638 0.043
511 2HB HIS 63 1HB HIS 63 14.113 -11.349 -0.217
512 HD2 HIS 63 2HD HIS 63 14.429 -12.150 -2.754
513 HE1 HIS 63 1HE HIS 63 14.230 -8.325 -4.554
514 HE2 HIS 63 2HE HIS 63 14.795 -10.769 -4.919
515 H GLN 64 H GLN 64 10.696 -9.231 -1.744
516 HA GLN 64 HA GLN 64 10.171 -11.738 -3.077
517 1HB GLN 64 2HB GLN 64 8.313 -10.618 -1.106
518 2HB GLN 64 1HB GLN 64 7.578 -10.977 -2.661
519 1HG GLN 64 2HG GLN 64 8.927 -12.835 -0.750
520 2HG GLN 64 1HG GLN 64 7.283 -12.901 -1.382
521 1HE2 GLN 64 1HE2 GLN 64 10.543 -13.804 -1.852
522 2HE2 GLN 64 2HE2 GLN 64 10.330 -14.676 -3.328
523 H GLU 65 H GLU 65 8.764 -8.499 -2.630
524 HA GLU 65 HA GLU 65 9.131 -7.970 -5.481
525 1HB GLU 65 2HB GLU 65 6.744 -8.911 -4.678
526 2HB GLU 65 1HB GLU 65 6.496 -7.202 -4.347
527 1HG GLU 65 2HG GLU 65 6.622 -6.611 -6.567
528 2HG GLU 65 1HG GLU 65 7.558 -8.041 -7.006
529 H VAL 66 H VAL 66 9.370 -5.819 -5.992
530 HA VAL 66 HA VAL 66 9.041 -3.862 -3.830
531 HB VAL 66 HB VAL 66 11.492 -4.003 -5.594
532 1HG1 VAL 66 1HG1 VAL 66 11.998 -1.925 -4.934
533 2HG1 VAL 66 2HG1 VAL 66 11.574 -2.273 -3.256
534 3HG1 VAL 66 3HG1 VAL 66 10.320 -1.800 -4.403
535 1HG2 VAL 66 1HG2 VAL 66 11.525 -4.282 -2.618
536 2HG2 VAL 66 2HG2 VAL 66 12.703 -4.835 -3.810
537 3HG2 VAL 66 3HG2 VAL 66 11.168 -5.684 -3.628
538 H THR 67 H THR 67 7.667 -2.379 -4.536
539 HA THR 67 HA THR 67 7.940 -1.408 -7.291
540 HB THR 67 HB THR 67 5.543 -2.658 -6.057
541 HG1 THR 67 1HG THR 67 7.022 -2.828 -8.315
542 1HG2 THR 67 1HG2 THR 67 5.354 -0.283 -7.920
543 2HG2 THR 67 2HG2 THR 67 4.729 -0.383 -6.273
544 3HG2 THR 67 3HG2 THR 67 4.023 -1.379 -7.546
545 H ARG 68 H ARG 68 8.195 0.708 -7.318
546 HA ARG 68 HA ARG 68 7.179 2.306 -5.062
547 1HB ARG 68 2HB ARG 68 9.358 3.055 -7.019
548 2HB ARG 68 1HB ARG 68 8.914 3.916 -5.552
549 1HG ARG 68 2HG ARG 68 9.503 1.569 -4.459
550 2HG ARG 68 1HG ARG 68 10.516 1.452 -5.900
551 1HD ARG 68 2HD ARG 68 10.861 4.050 -4.860
552 2HD ARG 68 1HD ARG 68 10.958 2.938 -3.495
553 HE ARG 68 HE ARG 68 12.969 2.211 -4.294
554 1HH1 ARG 68 1HH1 ARG 68 11.269 3.825 -6.873
555 2HH1 ARG 68 2HH1 ARG 68 12.607 3.757 -7.971
556 1HH2 ARG 68 1HH2 ARG 68 14.735 2.117 -5.732
557 2HH2 ARG 68 2HH2 ARG 68 14.578 2.785 -7.322
558 H PHE 69 H PHE 69 5.868 4.069 -5.449
559 HA PHE 69 HA PHE 69 5.469 5.030 -8.144
560 1HB PHE 69 2HB PHE 69 2.999 4.582 -8.090
561 2HB PHE 69 1HB PHE 69 4.011 3.158 -8.293
562 HD1 PHE 69 1HD PHE 69 4.012 1.410 -6.697
563 HD2 PHE 69 2HD PHE 69 1.915 5.027 -5.905
564 HE1 PHE 69 1HE PHE 69 2.892 0.338 -4.786
565 HE2 PHE 69 2HE PHE 69 0.793 3.962 -3.993
566 HZ PHE 69 HZ PHE 69 1.280 1.614 -3.431
567 H ASP 70 H ASP 70 4.806 7.077 -8.228
568 HA ASP 70 HA ASP 70 4.221 8.415 -5.693
569 1HB ASP 70 2HB ASP 70 4.821 10.462 -6.782
570 2HB ASP 70 1HB ASP 70 6.031 9.274 -7.258
571 H PHE 71 H PHE 71 2.257 9.398 -5.309
572 HA PHE 71 HA PHE 71 0.327 9.507 -7.494
573 1HB PHE 71 2HB PHE 71 -1.406 8.386 -6.192
574 2HB PHE 71 1HB PHE 71 -0.017 7.323 -6.411
575 HD1 PHE 71 1HD PHE 71 1.081 6.388 -4.582
576 HD2 PHE 71 2HD PHE 71 -1.698 9.555 -3.960
577 HE1 PHE 71 1HE PHE 71 1.171 5.987 -2.158
578 HE2 PHE 71 2HE PHE 71 -1.607 9.160 -1.532
579 HZ PHE 71 HZ PHE 71 -0.172 7.374 -0.631
580 H THR 72 H THR 72 -1.672 10.724 -6.805
581 HA THR 72 HA THR 72 -0.771 12.973 -5.176
582 HB THR 72 HB THR 72 -2.815 14.123 -6.163
583 HG1 THR 72 1HG THR 72 -2.740 11.775 -7.780
584 1HG2 THR 72 1HG2 THR 72 -0.557 14.563 -6.960
585 2HG2 THR 72 2HG2 THR 72 -1.691 14.546 -8.314
586 3HG2 THR 72 3HG2 THR 72 -0.640 13.157 -8.023
587 H THR 73 H THR 73 -2.477 14.074 -3.897
588 HA THR 73 HA THR 73 -3.322 12.467 -1.855
589 HB THR 73 HB THR 73 -5.086 14.461 -1.558
590 HG1 THR 73 1HG THR 73 -3.679 15.126 -3.751
591 1HG2 THR 73 1HG2 THR 73 -2.457 13.814 -0.700
592 2HG2 THR 73 2HG2 THR 73 -3.674 14.782 0.132
593 3HG2 THR 73 3HG2 THR 73 -2.530 15.556 -0.965
594 H THR 74 H THR 74 -5.672 12.492 -1.073
595 HA THR 74 HA THR 74 -7.198 11.029 -3.087
596 HB THR 74 HB THR 74 -7.818 9.646 -1.439
597 HG1 THR 74 1HG THR 74 -8.124 11.503 0.617
598 1HG2 THR 74 1HG2 THR 74 -5.366 10.306 -0.885
599 2HG2 THR 74 2HG2 THR 74 -6.295 9.406 0.318
600 3HG2 THR 74 3HG2 THR 74 -6.077 11.148 0.499
601 H SER 75 H SER 75 -7.825 13.373 -0.468
602 HA SER 75 HA SER 75 -9.437 14.953 -0.201
603 1HB SER 75 2HB SER 75 -9.593 16.497 -1.928
604 2HB SER 75 1HB SER 75 -8.100 15.655 -2.346
605 HG SER 75 HG SER 75 -10.064 15.982 -3.930
606 H THR 76 H THR 76 -10.248 12.105 -0.791
607 HA THR 76 HA THR 76 -13.077 12.619 -0.930
608 HB THR 76 HB THR 76 -12.732 12.482 -3.293
609 HG1 THR 76 1HG THR 76 -14.109 10.797 -3.719
610 1HG2 THR 76 1HG2 THR 76 -11.768 9.873 -3.748
611 2HG2 THR 76 2HG2 THR 76 -10.678 10.614 -2.576
612 3HG2 THR 76 3HG2 THR 76 -10.972 11.401 -4.127
613 H SER 77 H SER 77 -12.365 11.791 1.262
614 HA SER 77 HA SER 77 -11.583 9.124 1.659
615 1HB SER 77 2HB SER 77 -13.281 10.682 3.600
616 2HB SER 77 1HB SER 77 -12.044 9.475 3.950
617 HG SER 77 HG SER 77 -11.461 11.925 2.660
618 H THR 78 H THR 78 -13.184 7.719 3.179
619 HA THR 78 HA THR 78 -15.381 7.090 1.413
620 HB THR 78 HB THR 78 -13.910 5.260 2.067
621 HG1 THR 78 1HG THR 78 -16.494 5.224 1.996
622 1HG2 THR 78 1HG2 THR 78 -13.268 5.900 4.292
623 2HG2 THR 78 2HG2 THR 78 -14.101 4.347 4.384
624 3HG2 THR 78 3HG2 THR 78 -14.942 5.826 4.847
625 HA PRO 79 HA PRO 79 -17.772 7.871 5.492
626 1HB PRO 79 2HB PRO 79 -16.772 9.690 7.193
627 2HB PRO 79 1HB PRO 79 -16.278 7.994 7.246
628 1HG PRO 79 2HG PRO 79 -14.851 10.348 6.095
629 2HG PRO 79 1HG PRO 79 -14.196 8.963 6.983
630 1HD PRO 79 2HD PRO 79 -14.164 9.236 4.223
631 2HD PRO 79 1HD PRO 79 -14.022 7.699 5.086
632 H GLY 80 H GLY 80 -18.507 10.222 6.652
633 1HA GLY 80 2HA GLY 80 -18.684 12.620 5.921
634 2HA GLY 80 1HA GLY 80 -19.003 11.970 4.320
635 H SER 81 H SER 81 -20.466 9.787 6.116
636 HA SER 81 HA SER 81 -22.902 11.320 6.657
637 1HB SER 81 2HB SER 81 -23.919 9.013 5.549
638 2HB SER 81 1HB SER 81 -23.805 10.571 4.729
639 HG SER 81 HG SER 81 -21.821 8.539 4.688
640 H ARG 82 H ARG 82 -24.620 9.619 7.546
641 HA ARG 82 HA ARG 82 -23.229 8.177 9.695
642 1HB ARG 82 2HB ARG 82 -25.669 9.778 9.551
643 2HB ARG 82 1HB ARG 82 -25.909 8.240 10.368
644 1HG ARG 82 2HG ARG 82 -25.233 9.365 12.179
645 2HG ARG 82 1HG ARG 82 -23.614 9.080 11.533
646 1HD ARG 82 2HD ARG 82 -23.331 11.239 10.930
647 2HD ARG 82 1HD ARG 82 -25.022 11.444 10.476
648 HE ARG 82 HE ARG 82 -23.847 11.876 13.098
649 1HH1 ARG 82 1HH1 ARG 82 -26.740 11.593 11.175
650 2HH1 ARG 82 2HH1 ARG 82 -27.739 12.416 12.326
651 1HH2 ARG 82 1HH2 ARG 82 -25.154 12.959 14.618
652 2HH2 ARG 82 2HH2 ARG 82 -26.837 13.195 14.284
653 H SER 83 H SER 83 -23.047 6.060 9.413
654 HA SER 83 HA SER 83 -25.316 4.598 8.248
655 1HB SER 83 2HB SER 83 -22.902 4.952 6.950
656 2HB SER 83 1HB SER 83 -22.719 3.368 7.705
657 HG SER 83 HG SER 83 -24.175 4.060 5.554
658 H HIS 84 H HIS 84 -24.328 5.105 11.019
659 HA HIS 84 HA HIS 84 -24.219 3.986 12.991
660 1HB HIS 84 2HB HIS 84 -24.920 1.518 11.389
661 2HB HIS 84 1HB HIS 84 -25.091 1.727 13.129
662 HD2 HIS 84 2HD HIS 84 -27.654 1.096 11.098
663 HE1 HIS 84 1HE HIS 84 -28.723 5.049 12.166
664 HE2 HIS 84 2HE HIS 84 -29.587 2.805 11.360
665 H HIS 85 H HIS 85 -22.844 2.621 14.243
666 HA HIS 85 HA HIS 85 -20.808 1.025 13.044
667 1HB HIS 85 2HB HIS 85 -20.282 3.769 13.062
668 2HB HIS 85 1HB HIS 85 -19.389 3.139 14.442
669 HD2 HIS 85 2HD HIS 85 -17.847 4.213 11.747
670 HE1 HIS 85 1HE HIS 85 -17.053 0.094 11.185
671 HE2 HIS 85 2HE HIS 85 -16.270 2.453 10.681
672 H HIS 86 H HIS 86 -19.170 0.324 14.719
673 HA HIS 86 HA HIS 86 -20.504 -0.594 17.022
674 1HB HIS 86 2HB HIS 86 -18.382 -1.534 17.685
675 2HB HIS 86 1HB HIS 86 -18.561 -1.728 15.944
676 HD2 HIS 86 2HD HIS 86 -17.214 0.622 14.575
677 HE1 HIS 86 1HE HIS 86 -14.156 0.444 17.496
678 HE2 HIS 86 2HE HIS 86 -14.874 1.477 15.294
679 H HIS 87 H HIS 87 -19.961 -0.166 19.266
680 HA HIS 87 HA HIS 87 -18.562 2.264 19.924
681 1HB HIS 87 2HB HIS 87 -21.165 2.638 19.242
682 2HB HIS 87 1HB HIS 87 -21.320 2.345 20.970
683 HD2 HIS 87 2HD HIS 87 -19.173 4.061 22.355
684 HE1 HIS 87 1HE HIS 87 -20.191 7.181 19.682
685 HE2 HIS 87 2HE HIS 87 -19.195 6.622 21.946
686 H HIS 88 H HIS 88 -18.112 2.469 22.130
687 HA HIS 88 HA HIS 88 -18.344 -0.023 23.612
688 1HB HIS 88 2HB HIS 88 -16.385 1.980 23.418
689 2HB HIS 88 1HB HIS 88 -17.020 2.102 25.055
690 HD2 HIS 88 2HD HIS 88 -15.880 0.409 26.782
691 HE1 HIS 88 1HE HIS 88 -14.357 -2.329 23.937
692 HE2 HIS 88 2HE HIS 88 -14.607 -1.821 26.409
693 H HIS 89 H HIS 89 -19.459 -0.302 25.488
694 HA HIS 89 HA HIS 89 -21.090 0.013 27.042
695 1HB HIS 89 2HB HIS 89 -19.252 2.091 27.359
696 2HB HIS 89 1HB HIS 89 -20.823 2.884 27.385
697 HD2 HIS 89 2HD HIS 89 -18.742 2.266 30.029
698 HE1 HIS 89 1HE HIS 89 -22.158 0.100 31.276
699 HE2 HIS 89 2HE HIS 89 -20.054 1.290 32.042
Start of MODEL 22
1 1H MET 1 1HT MET 1 -13.161 -12.643 -7.179
2 2H MET 1 2HT MET 1 -11.669 -12.092 -6.603
3 3H MET 1 3HT MET 1 -11.925 -13.748 -6.834
4 HA MET 1 HA MET 1 -11.493 -11.635 -8.831
5 1HB MET 1 2HB MET 1 -10.474 -14.474 -8.673
6 2HB MET 1 1HB MET 1 -9.838 -13.161 -9.654
7 1HG MET 1 2HG MET 1 -9.105 -11.996 -7.653
8 2HG MET 1 1HG MET 1 -9.784 -13.273 -6.647
9 1HE MET 1 1HE MET 1 -6.746 -15.147 -5.922
10 2HE MET 1 2HE MET 1 -8.439 -15.597 -6.116
11 3HE MET 1 3HE MET 1 -8.016 -14.067 -5.350
12 H ARG 2 H ARG 2 -11.250 -13.266 -11.035
13 HA ARG 2 HA ARG 2 -14.059 -13.887 -11.575
14 1HB ARG 2 2HB ARG 2 -12.886 -14.072 -14.002
15 2HB ARG 2 1HB ARG 2 -13.521 -12.574 -13.338
16 1HG ARG 2 2HG ARG 2 -11.493 -11.651 -13.158
17 2HG ARG 2 1HG ARG 2 -10.757 -13.143 -12.568
18 1HD ARG 2 2HD ARG 2 -10.892 -13.999 -14.941
19 2HD ARG 2 1HD ARG 2 -11.322 -12.356 -15.418
20 HE ARG 2 HE ARG 2 -8.880 -12.614 -13.883
21 1HH1 ARG 2 1HH1 ARG 2 -10.342 -12.439 -17.042
22 2HH1 ARG 2 2HH1 ARG 2 -8.881 -11.948 -17.831
23 1HH2 ARG 2 1HH2 ARG 2 -6.954 -11.967 -14.914
24 2HH2 ARG 2 2HH2 ARG 2 -6.956 -11.680 -16.623
25 H GLY 3 H GLY 3 -14.162 -15.927 -10.595
26 1HA GLY 3 2HA GLY 3 -14.183 -18.185 -11.869
27 2HA GLY 3 1HA GLY 3 -12.439 -18.021 -11.729
28 H SER 4 H SER 4 -13.281 -20.240 -10.684
29 HA SER 4 HA SER 4 -13.736 -19.779 -7.818
30 1HB SER 4 2HB SER 4 -15.394 -21.247 -8.717
31 2HB SER 4 1HB SER 4 -14.180 -22.209 -9.560
32 HG SER 4 HG SER 4 -13.544 -22.191 -6.992
33 H ASN 5 H ASN 5 -12.230 -22.548 -9.428
34 HA ASN 5 HA ASN 5 -10.274 -23.647 -9.050
35 1HB ASN 5 2HB ASN 5 -9.626 -20.836 -9.316
36 2HB ASN 5 1HB ASN 5 -8.469 -21.655 -8.271
37 1HD2 ASN 5 1HD2 ASN 5 -9.344 -20.982 -11.425
38 2HD2 ASN 5 2HD2 ASN 5 -8.311 -22.110 -12.230
39 H ALA 6 H ALA 6 -8.143 -23.029 -7.264
40 HA ALA 6 HA ALA 6 -9.061 -24.251 -4.915
41 1HB ALA 6 1HB ALA 6 -6.864 -23.868 -4.021
42 2HB ALA 6 2HB ALA 6 -6.550 -22.609 -5.215
43 3HB ALA 6 3HB ALA 6 -6.714 -24.289 -5.728
44 HA PRO 7 HA PRO 7 -11.131 -20.676 -3.124
45 1HB PRO 7 2HB PRO 7 -11.154 -22.494 -0.771
46 2HB PRO 7 1HB PRO 7 -12.487 -21.619 -1.532
47 1HG PRO 7 2HG PRO 7 -12.223 -24.246 -1.866
48 2HG PRO 7 1HG PRO 7 -12.748 -23.206 -3.204
49 1HD PRO 7 2HD PRO 7 -10.069 -24.435 -2.696
50 2HD PRO 7 1HD PRO 7 -10.939 -24.218 -4.230
51 H GLN 8 H GLN 8 -8.302 -22.317 -2.007
52 HA GLN 8 HA GLN 8 -7.673 -20.067 -0.213
53 1HB GLN 8 2HB GLN 8 -7.669 -22.738 0.382
54 2HB GLN 8 1HB GLN 8 -5.983 -22.465 -0.035
55 1HG GLN 8 2HG GLN 8 -6.099 -20.487 1.584
56 2HG GLN 8 1HG GLN 8 -7.596 -21.222 2.160
57 1HE2 GLN 8 1HE2 GLN 8 -7.293 -23.707 2.491
58 2HE2 GLN 8 2HE2 GLN 8 -5.909 -24.142 3.429
59 HA PRO 9 HA PRO 9 -4.743 -19.360 -3.626
60 1HB PRO 9 2HB PRO 9 -4.456 -16.717 -3.231
61 2HB PRO 9 1HB PRO 9 -5.885 -17.390 -4.028
62 1HG PRO 9 2HG PRO 9 -5.544 -16.505 -1.185
63 2HG PRO 9 1HG PRO 9 -6.890 -16.194 -2.299
64 1HD PRO 9 2HD PRO 9 -6.949 -18.140 -0.392
65 2HD PRO 9 1HD PRO 9 -7.836 -18.254 -1.926
66 H SER 10 H SER 10 -2.524 -18.601 -3.685
67 HA SER 10 HA SER 10 -1.148 -19.131 -1.182
68 1HB SER 10 2HB SER 10 0.837 -18.631 -2.993
69 2HB SER 10 1HB SER 10 0.114 -20.217 -2.721
70 HG SER 10 HG SER 10 -0.353 -20.075 -4.767
71 H HIS 11 H HIS 11 -1.782 -17.184 -0.094
72 HA HIS 11 HA HIS 11 -1.028 -14.619 -1.104
73 1HB HIS 11 2HB HIS 11 -1.566 -13.875 1.257
74 2HB HIS 11 1HB HIS 11 -2.876 -14.669 0.389
75 HD2 HIS 11 2HD HIS 11 -4.146 -16.400 1.958
76 HE1 HIS 11 1HE HIS 11 -0.860 -17.478 4.398
77 HE2 HIS 11 2HE HIS 11 -3.290 -17.952 3.853
78 H ILE 12 H ILE 12 0.394 -13.145 0.170
79 HA ILE 12 HA ILE 12 2.974 -14.425 0.576
80 HB ILE 12 HB ILE 12 2.994 -12.447 -0.779
81 1HG1 ILE 12 2HG1 ILE 12 4.219 -10.865 1.122
82 2HG1 ILE 12 1HG1 ILE 12 4.345 -12.475 1.822
83 1HG2 ILE 12 1HG2 ILE 12 2.317 -10.373 1.029
84 2HG2 ILE 12 2HG2 ILE 12 1.008 -11.554 1.038
85 3HG2 ILE 12 3HG2 ILE 12 1.523 -10.820 -0.481
86 1HD1 ILE 12 1HD1 ILE 12 6.267 -11.714 0.382
87 2HD1 ILE 12 2HD1 ILE 12 5.177 -11.877 -0.994
88 3HD1 ILE 12 3HD1 ILE 12 5.570 -13.286 -0.010
89 H SER 13 H SER 13 4.268 -14.102 2.444
90 HA SER 13 HA SER 13 3.038 -14.495 4.889
91 1HB SER 13 2HB SER 13 5.417 -14.991 4.470
92 2HB SER 13 1HB SER 13 5.760 -13.263 4.387
93 HG SER 13 HG SER 13 4.827 -13.221 6.596
94 H LYS 14 H LYS 14 4.251 -11.479 3.455
95 HA LYS 14 HA LYS 14 2.259 -9.891 4.659
96 1HB LYS 14 2HB LYS 14 3.683 -8.596 6.223
97 2HB LYS 14 1HB LYS 14 3.443 -10.263 6.725
98 1HG LYS 14 2HG LYS 14 5.680 -10.744 5.596
99 2HG LYS 14 1HG LYS 14 5.904 -8.994 5.578
100 1HD LYS 14 2HD LYS 14 5.283 -9.190 8.113
101 2HD LYS 14 1HD LYS 14 5.776 -10.871 7.896
102 1HE LYS 14 2HE LYS 14 7.897 -9.877 6.818
103 2HE LYS 14 1HE LYS 14 7.407 -8.374 7.597
104 1HZ LYS 14 1HZ LYS 14 7.883 -9.170 9.642
105 2HZ LYS 14 2HZ LYS 14 8.957 -10.149 8.776
106 3HZ LYS 14 3HZ LYS 14 7.458 -10.764 9.264
107 H TYR 15 H TYR 15 2.224 -7.825 3.864
108 HA TYR 15 HA TYR 15 4.187 -7.185 1.779
109 1HB TYR 15 2HB TYR 15 1.312 -6.883 2.034
110 2HB TYR 15 1HB TYR 15 2.071 -5.338 1.676
111 HD1 TYR 15 1HD TYR 15 3.500 -5.140 -0.398
112 HD2 TYR 15 2HD TYR 15 1.030 -8.519 0.377
113 HE1 TYR 15 1HE TYR 15 3.610 -5.761 -2.776
114 HE2 TYR 15 2HE TYR 15 1.131 -9.147 -1.998
115 HH TYR 15 HH TYR 15 2.033 -7.150 -4.392
116 H ILE 16 H ILE 16 4.920 -4.933 1.608
117 HA ILE 16 HA ILE 16 4.938 -3.603 4.234
118 HB ILE 16 HB ILE 16 7.148 -4.397 2.693
119 1HG1 ILE 16 2HG1 ILE 16 6.960 -4.130 5.166
120 2HG1 ILE 16 1HG1 ILE 16 8.426 -3.417 4.499
121 1HG2 ILE 16 1HG2 ILE 16 6.507 -1.504 2.276
122 2HG2 ILE 16 2HG2 ILE 16 7.350 -2.645 1.227
123 3HG2 ILE 16 3HG2 ILE 16 8.185 -1.940 2.606
124 1HD1 ILE 16 1HD1 ILE 16 6.571 -1.347 4.479
125 2HD1 ILE 16 2HD1 ILE 16 7.902 -1.572 5.615
126 3HD1 ILE 16 3HD1 ILE 16 6.295 -2.188 6.005
127 H LEU 17 H LEU 17 4.757 -1.408 4.336
128 HA LEU 17 HA LEU 17 4.061 -0.054 1.836
129 1HB LEU 17 2HB LEU 17 2.227 -0.660 3.787
130 2HB LEU 17 1HB LEU 17 2.707 0.970 4.221
131 HG LEU 17 HG LEU 17 2.268 1.463 1.676
132 1HD1 LEU 17 1HD1 LEU 17 1.865 -0.967 1.194
133 2HD1 LEU 17 2HD1 LEU 17 0.583 0.124 0.666
134 3HD1 LEU 17 3HD1 LEU 17 0.376 -0.836 2.131
135 1HD2 LEU 17 1HD2 LEU 17 1.045 2.266 3.788
136 2HD2 LEU 17 2HD2 LEU 17 -0.149 1.029 3.400
137 3HD2 LEU 17 3HD2 LEU 17 0.178 2.327 2.253
138 H ARG 18 H ARG 18 5.646 1.304 1.527
139 HA ARG 18 HA ARG 18 6.617 2.888 3.806
140 1HB ARG 18 2HB ARG 18 8.230 2.107 1.371
141 2HB ARG 18 1HB ARG 18 8.817 2.931 2.811
142 1HG ARG 18 2HG ARG 18 8.760 1.002 4.092
143 2HG ARG 18 1HG ARG 18 7.621 0.198 3.008
144 1HD ARG 18 2HD ARG 18 9.390 -0.839 2.135
145 2HD ARG 18 1HD ARG 18 9.796 0.708 1.391
146 HE ARG 18 HE ARG 18 10.960 -0.368 3.867
147 1HH1 ARG 18 1HH1 ARG 18 10.981 1.923 1.241
148 2HH1 ARG 18 2HH1 ARG 18 12.549 2.549 1.629
149 1HH2 ARG 18 1HH2 ARG 18 13.026 0.452 4.386
150 2HH2 ARG 18 2HH2 ARG 18 13.710 1.713 3.415
151 H TRP 19 H TRP 19 6.230 5.027 3.549
152 HA TRP 19 HA TRP 19 6.338 6.172 0.921
153 1HB TRP 19 2HB TRP 19 4.107 6.497 0.466
154 2HB TRP 19 1HB TRP 19 4.075 4.918 1.238
155 HD1 TRP 19 HD TRP 19 2.962 8.469 1.661
156 HE1 TRP 19 1HE TRP 19 1.342 8.641 3.665
157 HE3 TRP 19 3HE TRP 19 3.552 3.775 3.540
158 HZ2 TRP 19 2HZ TRP 19 0.439 6.974 5.767
159 HZ3 TRP 19 3HZ TRP 19 2.278 3.128 5.544
160 HH2 TRP 19 HH TRP 19 0.754 4.695 6.633
161 H ARG 20 H ARG 20 6.118 8.402 0.811
162 HA ARG 20 HA ARG 20 5.656 9.979 3.158
163 1HB ARG 20 2HB ARG 20 7.791 10.713 3.634
164 2HB ARG 20 1HB ARG 20 8.118 9.043 3.197
165 1HG ARG 20 2HG ARG 20 8.205 10.697 0.855
166 2HG ARG 20 1HG ARG 20 9.258 11.356 2.110
167 1HD ARG 20 2HD ARG 20 10.056 8.899 2.360
168 2HD ARG 20 1HD ARG 20 9.359 8.691 0.754
169 HE ARG 20 HE ARG 20 11.048 9.997 -0.131
170 1HH1 ARG 20 1HH1 ARG 20 11.177 10.046 3.349
171 2HH1 ARG 20 2HH1 ARG 20 12.745 10.779 3.410
172 1HH2 ARG 20 1HH2 ARG 20 13.117 10.961 -0.060
173 2HH2 ARG 20 2HH2 ARG 20 13.847 11.300 1.474
174 HA PRO 21 HA PRO 21 4.578 13.100 0.220
175 1HB PRO 21 2HB PRO 21 5.973 15.295 1.142
176 2HB PRO 21 1HB PRO 21 4.408 14.757 1.762
177 1HG PRO 21 2HG PRO 21 7.141 14.270 2.813
178 2HG PRO 21 1HG PRO 21 5.648 14.625 3.707
179 1HD PRO 21 2HD PRO 21 6.667 12.162 3.586
180 2HD PRO 21 1HD PRO 21 4.914 12.436 3.542
181 H LYS 22 H LYS 22 5.204 13.176 -1.737
182 HA LYS 22 HA LYS 22 7.834 12.689 -2.604
183 1HB LYS 22 2HB LYS 22 5.472 12.377 -3.714
184 2HB LYS 22 1HB LYS 22 5.809 13.983 -4.369
185 1HG LYS 22 2HG LYS 22 7.855 13.143 -5.386
186 2HG LYS 22 1HG LYS 22 7.569 11.550 -4.679
187 1HD LYS 22 2HD LYS 22 5.568 11.276 -5.987
188 2HD LYS 22 1HD LYS 22 5.703 12.921 -6.610
189 1HE LYS 22 2HE LYS 22 7.741 12.362 -7.770
190 2HE LYS 22 1HE LYS 22 7.750 10.752 -7.050
191 1HZ LYS 22 1HZ LYS 22 6.872 11.029 -9.425
192 2HZ LYS 22 2HZ LYS 22 5.476 11.649 -8.699
193 3HZ LYS 22 3HZ LYS 22 5.979 10.072 -8.352
194 H ASN 23 H ASN 23 5.883 15.661 -2.484
195 HA ASN 23 HA ASN 23 8.097 17.236 -3.514
196 1HB ASN 23 2HB ASN 23 5.208 17.598 -3.189
197 2HB ASN 23 1HB ASN 23 6.146 19.037 -2.807
198 1HD2 ASN 23 1HD2 ASN 23 7.278 20.076 -4.412
199 2HD2 ASN 23 2HD2 ASN 23 7.051 19.731 -6.090
200 H SER 24 H SER 24 6.369 16.776 -0.473
201 HA SER 24 HA SER 24 7.859 18.888 0.833
202 1HB SER 24 2HB SER 24 5.657 17.035 1.626
203 2HB SER 24 1HB SER 24 6.636 17.769 2.896
204 HG SER 24 HG SER 24 4.717 18.884 1.323
205 H VAL 25 H VAL 25 8.244 15.553 0.251
206 HA VAL 25 HA VAL 25 9.508 13.897 1.243
207 HB VAL 25 HB VAL 25 11.016 14.865 -0.347
208 1HG1 VAL 25 1HG1 VAL 25 12.620 16.585 1.269
209 2HG1 VAL 25 2HG1 VAL 25 10.943 17.127 1.334
210 3HG1 VAL 25 3HG1 VAL 25 11.752 16.951 -0.222
211 1HG2 VAL 25 1HG2 VAL 25 12.463 13.394 0.477
212 2HG2 VAL 25 2HG2 VAL 25 11.914 13.686 2.127
213 3HG2 VAL 25 3HG2 VAL 25 13.164 14.709 1.421
214 H GLY 26 H GLY 26 8.645 13.670 3.312
215 1HA GLY 26 2HA GLY 26 10.064 15.108 5.459
216 2HA GLY 26 1HA GLY 26 8.466 14.395 5.614
217 H ARG 27 H ARG 27 8.298 12.404 6.453
218 HA ARG 27 HA ARG 27 10.780 10.845 6.763
219 1HB ARG 27 2HB ARG 27 9.940 10.041 8.899
220 2HB ARG 27 1HB ARG 27 9.992 11.799 8.892
221 1HG ARG 27 2HG ARG 27 7.449 10.470 8.126
222 2HG ARG 27 1HG ARG 27 7.916 10.476 9.828
223 1HD ARG 27 2HD ARG 27 7.553 12.689 10.050
224 2HD ARG 27 1HD ARG 27 8.187 13.057 8.447
225 HE ARG 27 HE ARG 27 5.845 11.878 7.873
226 1HH1 ARG 27 1HH1 ARG 27 6.684 14.435 10.088
227 2HH1 ARG 27 2HH1 ARG 27 5.145 15.221 9.964
228 1HH2 ARG 27 1HH2 ARG 27 3.818 12.905 7.707
229 2HH2 ARG 27 2HH2 ARG 27 3.517 14.351 8.612
230 H TRP 28 H TRP 28 10.604 8.562 6.747
231 HA TRP 28 HA TRP 28 8.713 7.567 4.845
232 1HB TRP 28 2HB TRP 28 10.995 6.403 6.396
233 2HB TRP 28 1HB TRP 28 9.862 5.323 5.596
234 HD1 TRP 28 HD TRP 28 13.003 7.073 4.979
235 HE1 TRP 28 1HE TRP 28 13.555 7.138 2.467
236 HE3 TRP 28 3HE TRP 28 8.443 5.715 3.114
237 HZ2 TRP 28 2HZ TRP 28 12.229 6.675 0.016
238 HZ3 TRP 28 3HZ TRP 28 8.167 5.550 0.675
239 HH2 TRP 28 HH TRP 28 10.022 6.021 -0.842
240 H LYS 29 H LYS 29 7.168 5.912 5.153
241 HA LYS 29 HA LYS 29 6.275 5.543 7.941
242 1HB LYS 29 2HB LYS 29 4.622 5.936 5.443
243 2HB LYS 29 1HB LYS 29 3.952 5.346 6.957
244 1HG LYS 29 2HG LYS 29 5.493 7.824 7.201
245 2HG LYS 29 1HG LYS 29 4.044 7.951 6.202
246 1HD LYS 29 2HD LYS 29 2.809 8.069 8.044
247 2HD LYS 29 1HD LYS 29 3.346 6.447 8.489
248 1HE LYS 29 2HE LYS 29 4.717 9.044 9.181
249 2HE LYS 29 1HE LYS 29 3.801 8.019 10.284
250 1HZ LYS 29 1HZ LYS 29 6.245 7.140 8.848
251 2HZ LYS 29 2HZ LYS 29 5.422 6.302 10.065
252 3HZ LYS 29 3HZ LYS 29 6.241 7.735 10.432
253 H GLU 30 H GLU 30 5.713 3.446 8.536
254 HA GLU 30 HA GLU 30 6.080 1.401 6.443
255 1HB GLU 30 2HB GLU 30 6.681 0.688 9.258
256 2HB GLU 30 1HB GLU 30 7.450 0.152 7.770
257 1HG GLU 30 2HG GLU 30 9.137 1.484 8.302
258 2HG GLU 30 1HG GLU 30 8.079 2.836 7.899
259 H ALA 31 H ALA 31 4.516 -0.022 6.163
260 HA ALA 31 HA ALA 31 2.668 -0.642 8.345
261 1HB ALA 31 1HB ALA 31 0.879 -0.545 6.349
262 2HB ALA 31 2HB ALA 31 1.963 0.745 5.831
263 3HB ALA 31 3HB ALA 31 1.202 0.818 7.421
264 H THR 32 H THR 32 2.743 -2.795 8.549
265 HA THR 32 HA THR 32 3.335 -4.427 6.191
266 HB THR 32 HB THR 32 3.104 -5.603 8.930
267 HG1 THR 32 1HG THR 32 5.089 -4.847 9.499
268 1HG2 THR 32 1HG2 THR 32 4.501 -6.202 6.365
269 2HG2 THR 32 2HG2 THR 32 3.606 -7.277 7.440
270 3HG2 THR 32 3HG2 THR 32 5.234 -6.755 7.871
271 H ILE 33 H ILE 33 1.730 -5.328 5.115
272 HA ILE 33 HA ILE 33 -0.658 -6.209 6.592
273 HB ILE 33 HB ILE 33 -1.517 -5.641 3.989
274 1HG1 ILE 33 2HG1 ILE 33 0.607 -4.196 3.924
275 2HG1 ILE 33 1HG1 ILE 33 -0.909 -3.421 3.484
276 1HG2 ILE 33 1HG2 ILE 33 -3.000 -5.467 5.786
277 2HG2 ILE 33 2HG2 ILE 33 -2.807 -3.813 5.206
278 3HG2 ILE 33 3HG2 ILE 33 -1.956 -4.344 6.656
279 1HD1 ILE 33 1HD1 ILE 33 0.914 -2.428 5.228
280 2HD1 ILE 33 2HD1 ILE 33 -0.242 -3.196 6.316
281 3HD1 ILE 33 3HD1 ILE 33 -0.789 -1.972 5.171
282 HA PRO 34 HA PRO 34 0.716 -10.107 4.762
283 1HB PRO 34 2HB PRO 34 -2.018 -10.845 5.696
284 2HB PRO 34 1HB PRO 34 -0.481 -11.684 5.938
285 1HG PRO 34 2HG PRO 34 -1.585 -10.299 7.920
286 2HG PRO 34 1HG PRO 34 0.169 -10.271 7.662
287 1HD PRO 34 2HD PRO 34 -1.877 -8.195 7.017
288 2HD PRO 34 1HD PRO 34 -0.207 -7.997 7.586
289 H GLY 35 H GLY 35 -0.409 -11.746 3.287
290 1HA GLY 35 2HA GLY 35 -1.020 -10.704 0.859
291 2HA GLY 35 1HA GLY 35 -1.617 -12.266 1.394
292 H HIS 36 H HIS 36 -2.358 -8.954 0.818
293 HA HIS 36 HA HIS 36 -4.302 -7.723 1.262
294 1HB HIS 36 2HB HIS 36 -6.044 -8.684 -0.439
295 2HB HIS 36 1HB HIS 36 -4.521 -8.015 -1.010
296 HD2 HIS 36 2HD HIS 36 -5.801 -11.651 -0.101
297 HE1 HIS 36 1HE HIS 36 -3.248 -11.771 -3.474
298 HE2 HIS 36 2HE HIS 36 -4.596 -13.158 -1.834
299 H LEU 37 H LEU 37 -4.599 -8.501 3.523
300 HA LEU 37 HA LEU 37 -6.444 -10.600 4.062
301 1HB LEU 37 2HB LEU 37 -6.617 -9.066 6.292
302 2HB LEU 37 1HB LEU 37 -5.392 -10.285 6.019
303 HG LEU 37 HG LEU 37 -3.801 -8.583 5.315
304 1HD1 LEU 37 1HD1 LEU 37 -4.387 -6.183 5.550
305 2HD1 LEU 37 2HD1 LEU 37 -6.073 -6.654 5.763
306 3HD1 LEU 37 3HD1 LEU 37 -5.250 -6.992 4.242
307 1HD2 LEU 37 1HD2 LEU 37 -5.219 -8.093 7.918
308 2HD2 LEU 37 2HD2 LEU 37 -3.720 -7.276 7.479
309 3HD2 LEU 37 3HD2 LEU 37 -3.755 -9.033 7.628
310 H ASN 38 H ASN 38 -6.729 -7.206 3.389
311 HA ASN 38 HA ASN 38 -9.461 -7.366 2.742
312 1HB ASN 38 2HB ASN 38 -10.477 -6.090 4.523
313 2HB ASN 38 1HB ASN 38 -9.668 -7.484 5.231
314 1HD2 ASN 38 1HD2 ASN 38 -9.666 -4.038 4.882
315 2HD2 ASN 38 2HD2 ASN 38 -8.495 -3.707 6.107
316 H SER 39 H SER 39 -10.234 -4.715 3.227
317 HA SER 39 HA SER 39 -8.500 -3.353 1.325
318 1HB SER 39 2HB SER 39 -11.089 -2.306 2.471
319 2HB SER 39 1HB SER 39 -10.302 -1.844 0.962
320 HG SER 39 HG SER 39 -11.297 -3.425 0.019
321 H TYR 40 H TYR 40 -6.784 -2.388 2.229
322 HA TYR 40 HA TYR 40 -7.244 -0.726 4.618
323 1HB TYR 40 2HB TYR 40 -5.731 -2.498 5.198
324 2HB TYR 40 1HB TYR 40 -4.763 -2.220 3.752
325 HD1 TYR 40 1HD TYR 40 -5.875 -0.507 6.876
326 HD2 TYR 40 2HD TYR 40 -2.861 -0.886 3.894
327 HE1 TYR 40 1HE TYR 40 -4.435 1.030 8.144
328 HE2 TYR 40 2HE TYR 40 -1.414 0.651 5.156
329 HH TYR 40 HH TYR 40 -1.597 1.312 8.146
330 H THR 41 H THR 41 -7.332 1.351 4.096
331 HA THR 41 HA THR 41 -5.400 2.381 2.127
332 HB THR 41 HB THR 41 -7.038 3.948 1.272
333 HG1 THR 41 1HG THR 41 -9.326 3.052 2.219
334 1HG2 THR 41 1HG2 THR 41 -7.204 1.125 0.971
335 2HG2 THR 41 2HG2 THR 41 -7.616 2.380 -0.198
336 3HG2 THR 41 3HG2 THR 41 -8.840 1.779 0.919
337 H ILE 42 H ILE 42 -4.561 4.431 2.516
338 HA ILE 42 HA ILE 42 -4.594 5.250 5.286
339 HB ILE 42 HB ILE 42 -3.210 6.748 3.077
340 1HG1 ILE 42 2HG1 ILE 42 -1.552 4.767 4.426
341 2HG1 ILE 42 1HG1 ILE 42 -2.858 4.023 3.508
342 1HG2 ILE 42 1HG2 ILE 42 -2.119 7.801 4.719
343 2HG2 ILE 42 2HG2 ILE 42 -1.854 6.310 5.623
344 3HG2 ILE 42 3HG2 ILE 42 -3.384 7.174 5.776
345 1HD1 ILE 42 1HD1 ILE 42 -0.410 4.888 2.538
346 2HD1 ILE 42 2HD1 ILE 42 -1.567 6.097 1.981
347 3HD1 ILE 42 3HD1 ILE 42 -1.814 4.395 1.592
348 H LYS 43 H LYS 43 -5.777 6.856 6.137
349 HA LYS 43 HA LYS 43 -7.100 8.727 4.285
350 1HB LYS 43 2HB LYS 43 -8.269 7.661 6.856
351 2HB LYS 43 1HB LYS 43 -9.070 8.696 5.679
352 1HG LYS 43 2HG LYS 43 -9.774 6.926 4.558
353 2HG LYS 43 1HG LYS 43 -8.109 6.373 4.352
354 1HD LYS 43 2HD LYS 43 -8.342 4.784 5.911
355 2HD LYS 43 1HD LYS 43 -9.120 5.897 7.038
356 1HE LYS 43 2HE LYS 43 -10.871 5.275 4.834
357 2HE LYS 43 1HE LYS 43 -10.311 3.801 5.622
358 1HZ LYS 43 1HZ LYS 43 -12.281 4.497 6.711
359 2HZ LYS 43 2HZ LYS 43 -11.726 6.086 6.878
360 3HZ LYS 43 3HZ LYS 43 -11.003 4.841 7.764
361 H GLY 44 H GLY 44 -8.311 10.356 6.170
362 1HA GLY 44 2HA GLY 44 -7.913 12.110 7.611
363 2HA GLY 44 1HA GLY 44 -6.469 11.264 8.152
364 H LEU 45 H LEU 45 -6.937 11.917 4.786
365 HA LEU 45 HA LEU 45 -4.959 14.093 4.936
366 1HB LEU 45 2HB LEU 45 -4.892 12.607 2.436
367 2HB LEU 45 1HB LEU 45 -3.584 13.075 3.505
368 HG LEU 45 HG LEU 45 -5.188 10.857 4.550
369 1HD1 LEU 45 1HD1 LEU 45 -3.390 9.902 2.452
370 2HD1 LEU 45 2HD1 LEU 45 -4.835 10.718 1.850
371 3HD1 LEU 45 3HD1 LEU 45 -4.991 9.329 2.926
372 1HD2 LEU 45 1HD2 LEU 45 -2.465 11.841 4.530
373 2HD2 LEU 45 2HD2 LEU 45 -2.558 10.092 4.289
374 3HD2 LEU 45 3HD2 LEU 45 -3.297 10.827 5.712
375 H LYS 46 H LYS 46 -4.845 15.086 2.531
376 HA LYS 46 HA LYS 46 -7.567 15.470 1.541
377 1HB LYS 46 2HB LYS 46 -7.712 17.501 2.443
378 2HB LYS 46 1HB LYS 46 -6.066 17.394 3.040
379 1HG LYS 46 2HG LYS 46 -6.000 17.957 0.240
380 2HG LYS 46 1HG LYS 46 -7.094 19.087 1.039
381 1HD LYS 46 2HD LYS 46 -4.818 18.833 2.689
382 2HD LYS 46 1HD LYS 46 -4.236 19.043 1.036
383 1HE LYS 46 2HE LYS 46 -6.136 20.839 2.538
384 2HE LYS 46 1HE LYS 46 -4.475 21.204 2.074
385 1HZ LYS 46 1HZ LYS 46 -5.154 21.882 0.092
386 2HZ LYS 46 2HZ LYS 46 -6.753 21.734 0.622
387 3HZ LYS 46 3HZ LYS 46 -6.010 20.449 -0.190
388 HA PRO 47 HA PRO 47 -5.631 15.020 -2.404
389 1HB PRO 47 2HB PRO 47 -7.456 16.325 -3.955
390 2HB PRO 47 1HB PRO 47 -7.719 14.702 -3.305
391 1HG PRO 47 2HG PRO 47 -8.694 17.338 -2.269
392 2HG PRO 47 1HG PRO 47 -9.577 15.808 -2.436
393 1HD PRO 47 2HD PRO 47 -8.594 16.622 -0.069
394 2HD PRO 47 1HD PRO 47 -8.625 14.906 -0.528
395 H GLY 48 H GLY 48 -3.772 16.223 -2.440
396 1HA GLY 48 2HA GLY 48 -3.546 18.471 -3.994
397 2HA GLY 48 1HA GLY 48 -3.797 19.088 -2.371
398 H VAL 49 H VAL 49 -2.277 16.430 -1.555
399 HA VAL 49 HA VAL 49 0.402 17.598 -1.969
400 HB VAL 49 HB VAL 49 -0.154 15.721 0.262
401 1HG1 VAL 49 1HG1 VAL 49 1.665 18.085 0.340
402 2HG1 VAL 49 2HG1 VAL 49 2.137 16.634 -0.554
403 3HG1 VAL 49 3HG1 VAL 49 1.795 16.537 1.177
404 1HG2 VAL 49 1HG2 VAL 49 -0.315 18.335 1.315
405 2HG2 VAL 49 2HG2 VAL 49 -1.526 17.045 1.359
406 3HG2 VAL 49 3HG2 VAL 49 -1.505 18.200 0.018
407 H VAL 50 H VAL 50 2.038 16.299 -2.619
408 HA VAL 50 HA VAL 50 1.306 13.768 -3.764
409 HB VAL 50 HB VAL 50 4.165 14.307 -3.513
410 1HG1 VAL 50 1HG1 VAL 50 2.375 12.973 -5.245
411 2HG1 VAL 50 2HG1 VAL 50 4.138 12.979 -5.290
412 3HG1 VAL 50 3HG1 VAL 50 3.229 14.186 -6.198
413 1HG2 VAL 50 1HG2 VAL 50 3.348 16.621 -3.667
414 2HG2 VAL 50 2HG2 VAL 50 2.508 16.205 -5.161
415 3HG2 VAL 50 3HG2 VAL 50 4.270 16.129 -5.087
416 H TYR 51 H TYR 51 2.027 11.769 -3.158
417 HA TYR 51 HA TYR 51 3.488 11.432 -0.653
418 1HB TYR 51 2HB TYR 51 0.630 10.909 -1.043
419 2HB TYR 51 1HB TYR 51 1.502 9.478 -0.527
420 HD1 TYR 51 1HD TYR 51 -0.499 10.118 1.200
421 HD2 TYR 51 2HD TYR 51 3.266 12.039 0.981
422 HE1 TYR 51 1HE TYR 51 -0.736 10.852 3.533
423 HE2 TYR 51 2HE TYR 51 3.048 12.807 3.294
424 HH TYR 51 HH TYR 51 1.499 11.689 5.443
425 H GLU 52 H GLU 52 5.222 10.375 -1.612
426 HA GLU 52 HA GLU 52 4.717 8.423 -3.682
427 1HB GLU 52 2HB GLU 52 7.093 8.110 -3.767
428 2HB GLU 52 1HB GLU 52 6.797 9.833 -3.573
429 1HG GLU 52 2HG GLU 52 7.177 9.478 -1.099
430 2HG GLU 52 1HG GLU 52 7.771 7.875 -1.520
431 H GLY 53 H GLY 53 4.271 6.315 -3.393
432 1HA GLY 53 2HA GLY 53 4.820 5.172 -0.725
433 2HA GLY 53 1HA GLY 53 3.307 4.891 -1.568
434 H GLN 54 H GLN 54 5.207 2.959 -0.542
435 HA GLN 54 HA GLN 54 5.729 1.560 -3.082
436 1HB GLN 54 2HB GLN 54 7.657 1.206 -0.830
437 2HB GLN 54 1HB GLN 54 7.903 0.993 -2.558
438 1HG GLN 54 2HG GLN 54 7.741 3.467 -2.809
439 2HG GLN 54 1HG GLN 54 7.714 3.584 -1.049
440 1HE2 GLN 54 1HE2 GLN 54 9.554 2.090 -0.078
441 2HE2 GLN 54 2HE2 GLN 54 11.119 2.390 -0.748
442 H LEU 55 H LEU 55 5.375 -0.614 -3.085
443 HA LEU 55 HA LEU 55 4.442 -1.804 -0.559
444 1HB LEU 55 2HB LEU 55 3.167 -1.675 -3.200
445 2HB LEU 55 1HB LEU 55 3.209 -3.286 -2.510
446 HG LEU 55 HG LEU 55 2.199 -0.990 -0.877
447 1HD1 LEU 55 1HD1 LEU 55 -0.068 -1.480 -1.684
448 2HD1 LEU 55 2HD1 LEU 55 0.612 -2.566 -2.895
449 3HD1 LEU 55 3HD1 LEU 55 0.968 -0.840 -2.958
450 1HD2 LEU 55 1HD2 LEU 55 2.616 -3.138 0.214
451 2HD2 LEU 55 2HD2 LEU 55 1.536 -3.928 -0.935
452 3HD2 LEU 55 3HD2 LEU 55 0.899 -2.738 0.199
453 H ILE 56 H ILE 56 6.062 -3.089 0.059
454 HA ILE 56 HA ILE 56 7.290 -4.818 -1.978
455 HB ILE 56 HB ILE 56 8.487 -3.609 0.502
456 1HG1 ILE 56 2HG1 ILE 56 10.269 -3.006 -1.216
457 2HG1 ILE 56 1HG1 ILE 56 9.132 -3.542 -2.448
458 1HG2 ILE 56 1HG2 ILE 56 9.615 -5.511 0.813
459 2HG2 ILE 56 2HG2 ILE 56 10.495 -5.090 -0.656
460 3HG2 ILE 56 3HG2 ILE 56 9.103 -6.168 -0.741
461 1HD1 ILE 56 1HD1 ILE 56 8.378 -1.464 -0.429
462 2HD1 ILE 56 2HD1 ILE 56 7.662 -1.793 -2.008
463 3HD1 ILE 56 3HD1 ILE 56 9.258 -1.048 -1.900
464 H SER 57 H SER 57 6.743 -6.868 -1.848
465 HA SER 57 HA SER 57 5.513 -7.940 0.522
466 1HB SER 57 2HB SER 57 5.362 -8.476 -2.212
467 2HB SER 57 1HB SER 57 6.118 -9.905 -1.510
468 HG SER 57 HG SER 57 4.068 -10.360 -1.159
469 H ILE 58 H ILE 58 6.358 -9.228 1.937
470 HA ILE 58 HA ILE 58 9.122 -10.163 1.652
471 HB ILE 58 HB ILE 58 7.737 -9.319 4.201
472 1HG1 ILE 58 2HG1 ILE 58 10.138 -7.978 2.998
473 2HG1 ILE 58 1HG1 ILE 58 8.522 -7.553 2.441
474 1HG2 ILE 58 1HG2 ILE 58 10.117 -10.890 3.678
475 2HG2 ILE 58 2HG2 ILE 58 9.251 -10.620 5.191
476 3HG2 ILE 58 3HG2 ILE 58 10.464 -9.459 4.651
477 1HD1 ILE 58 1HD1 ILE 58 7.944 -6.590 4.445
478 2HD1 ILE 58 2HD1 ILE 58 9.657 -6.188 4.332
479 3HD1 ILE 58 3HD1 ILE 58 9.129 -7.522 5.359
480 H GLN 59 H GLN 59 9.517 -12.294 2.008
481 HA GLN 59 HA GLN 59 7.306 -13.919 3.094
482 1HB GLN 59 2HB GLN 59 8.936 -14.278 0.691
483 2HB GLN 59 1HB GLN 59 8.890 -15.703 1.716
484 1HG GLN 59 2HG GLN 59 6.259 -14.584 1.426
485 2HG GLN 59 1HG GLN 59 6.987 -14.893 -0.149
486 1HE2 GLN 59 1HE2 GLN 59 5.767 -16.279 2.769
487 2HE2 GLN 59 2HE2 GLN 59 5.799 -17.927 2.252
488 H GLN 60 H GLN 60 8.452 -16.249 3.607
489 HA GLN 60 HA GLN 60 9.927 -15.783 5.967
490 1HB GLN 60 2HB GLN 60 9.710 -18.378 4.431
491 2HB GLN 60 1HB GLN 60 10.112 -18.194 6.133
492 1HG GLN 60 2HG GLN 60 7.515 -17.133 5.135
493 2HG GLN 60 1HG GLN 60 7.701 -18.868 5.383
494 1HE2 GLN 60 1HE2 GLN 60 6.565 -19.258 7.165
495 2HE2 GLN 60 2HE2 GLN 60 6.784 -18.466 8.685
496 H TYR 61 H TYR 61 10.867 -15.854 2.728
497 HA TYR 61 HA TYR 61 13.656 -16.510 3.377
498 1HB TYR 61 2HB TYR 61 12.311 -16.224 0.681
499 2HB TYR 61 1HB TYR 61 13.987 -16.691 0.943
500 HD1 TYR 61 1HD TYR 61 14.543 -18.942 1.157
501 HD2 TYR 61 2HD TYR 61 10.500 -17.747 1.725
502 HE1 TYR 61 1HE TYR 61 13.868 -21.304 1.283
503 HE2 TYR 61 2HE TYR 61 9.814 -20.104 1.855
504 HH TYR 61 HH TYR 61 12.086 -22.668 2.124
505 H GLY 62 H GLY 62 11.677 -13.867 3.127
506 1HA GLY 62 2HA GLY 62 12.181 -11.615 3.201
507 2HA GLY 62 1HA GLY 62 13.884 -12.039 3.113
508 H HIS 63 H HIS 63 12.202 -9.971 1.716
509 HA HIS 63 HA HIS 63 12.096 -8.966 -0.321
510 1HB HIS 63 2HB HIS 63 14.263 -10.913 -1.136
511 2HB HIS 63 1HB HIS 63 13.885 -9.370 -1.896
512 HD2 HIS 63 2HD HIS 63 16.164 -10.802 0.751
513 HE1 HIS 63 1HE HIS 63 16.141 -6.602 1.269
514 HE2 HIS 63 2HE HIS 63 17.412 -8.748 1.728
515 H GLN 64 H GLN 64 10.200 -9.360 -1.310
516 HA GLN 64 HA GLN 64 10.014 -11.815 -2.900
517 1HB GLN 64 2HB GLN 64 7.921 -10.642 -1.111
518 2HB GLN 64 1HB GLN 64 7.527 -11.763 -2.406
519 1HG GLN 64 2HG GLN 64 9.220 -12.257 0.016
520 2HG GLN 64 1HG GLN 64 7.700 -13.030 -0.432
521 1HE2 GLN 64 1HE2 GLN 64 10.699 -13.799 -0.022
522 2HE2 GLN 64 2HE2 GLN 64 10.982 -14.893 -1.329
523 H GLU 65 H GLU 65 8.046 -8.895 -2.413
524 HA GLU 65 HA GLU 65 8.184 -8.414 -5.313
525 1HB GLU 65 2HB GLU 65 5.960 -9.345 -4.089
526 2HB GLU 65 1HB GLU 65 5.710 -7.612 -3.910
527 1HG GLU 65 2HG GLU 65 6.534 -8.422 -6.597
528 2HG GLU 65 1HG GLU 65 4.991 -9.101 -6.079
529 H VAL 66 H VAL 66 8.146 -6.316 -6.013
530 HA VAL 66 HA VAL 66 8.166 -4.221 -3.968
531 HB VAL 66 HB VAL 66 10.448 -4.424 -4.220
532 1HG1 VAL 66 1HG1 VAL 66 11.611 -5.126 -6.106
533 2HG1 VAL 66 2HG1 VAL 66 10.300 -4.675 -7.198
534 3HG1 VAL 66 3HG1 VAL 66 10.124 -6.075 -6.137
535 1HG2 VAL 66 1HG2 VAL 66 9.572 -2.442 -6.325
536 2HG2 VAL 66 2HG2 VAL 66 11.200 -2.528 -5.651
537 3HG2 VAL 66 3HG2 VAL 66 9.834 -2.120 -4.611
538 H THR 67 H THR 67 6.888 -2.580 -4.507
539 HA THR 67 HA THR 67 6.372 -2.080 -7.351
540 HB THR 67 HB THR 67 4.486 -3.139 -5.494
541 HG1 THR 67 1HG THR 67 4.844 -3.232 -7.965
542 1HG2 THR 67 1HG2 THR 67 3.550 -0.494 -6.604
543 2HG2 THR 67 2HG2 THR 67 4.112 -0.688 -4.945
544 3HG2 THR 67 3HG2 THR 67 2.696 -1.578 -5.504
545 H ARG 68 H ARG 68 6.439 0.000 -7.931
546 HA ARG 68 HA ARG 68 6.682 2.002 -5.784
547 1HB ARG 68 2HB ARG 68 7.620 2.556 -8.565
548 2HB ARG 68 1HB ARG 68 8.246 3.151 -7.034
549 1HG ARG 68 2HG ARG 68 8.584 0.306 -7.189
550 2HG ARG 68 1HG ARG 68 9.265 1.082 -8.620
551 1HD ARG 68 2HD ARG 68 10.487 2.643 -7.108
552 2HD ARG 68 1HD ARG 68 9.903 1.699 -5.739
553 HE ARG 68 HE ARG 68 11.102 -0.223 -6.918
554 1HH1 ARG 68 1HH1 ARG 68 12.146 3.101 -7.052
555 2HH1 ARG 68 2HH1 ARG 68 13.814 2.700 -7.291
556 1HH2 ARG 68 1HH2 ARG 68 13.293 -0.756 -7.230
557 2HH2 ARG 68 2HH2 ARG 68 14.465 0.508 -7.393
558 H PHE 69 H PHE 69 4.981 3.270 -5.555
559 HA PHE 69 HA PHE 69 3.602 4.284 -7.926
560 1HB PHE 69 2HB PHE 69 1.392 3.742 -7.062
561 2HB PHE 69 1HB PHE 69 2.345 2.276 -7.257
562 HD1 PHE 69 1HD PHE 69 3.571 1.425 -5.132
563 HD2 PHE 69 2HD PHE 69 0.293 4.138 -5.074
564 HE1 PHE 69 1HE PHE 69 3.115 0.816 -2.792
565 HE2 PHE 69 2HE PHE 69 -0.168 3.535 -2.733
566 HZ PHE 69 HZ PHE 69 1.244 1.872 -1.590
567 H ASP 70 H ASP 70 3.234 6.381 -7.789
568 HA ASP 70 HA ASP 70 3.465 7.676 -5.171
569 1HB ASP 70 2HB ASP 70 3.401 9.706 -7.032
570 2HB ASP 70 1HB ASP 70 4.859 8.995 -6.348
571 H PHE 71 H PHE 71 1.707 8.371 -4.190
572 HA PHE 71 HA PHE 71 -0.676 8.995 -5.807
573 1HB PHE 71 2HB PHE 71 -2.088 8.057 -4.122
574 2HB PHE 71 1HB PHE 71 -0.844 6.862 -4.484
575 HD1 PHE 71 1HD PHE 71 -2.149 9.202 -1.974
576 HD2 PHE 71 2HD PHE 71 0.848 6.295 -2.854
577 HE1 PHE 71 1HE PHE 71 -1.617 9.025 0.422
578 HE2 PHE 71 2HE PHE 71 1.386 6.128 -0.459
579 HZ PHE 71 HZ PHE 71 0.152 7.489 1.179
580 H THR 72 H THR 72 -2.195 10.547 -4.696
581 HA THR 72 HA THR 72 -0.694 12.350 -2.917
582 HB THR 72 HB THR 72 -1.383 14.281 -4.069
583 HG1 THR 72 1HG THR 72 -3.213 12.577 -5.428
584 1HG2 THR 72 1HG2 THR 72 -0.874 13.704 -6.553
585 2HG2 THR 72 2HG2 THR 72 -0.547 12.087 -5.930
586 3HG2 THR 72 3HG2 THR 72 0.383 13.465 -5.340
587 H THR 73 H THR 73 -1.684 13.076 -1.231
588 HA THR 73 HA THR 73 -4.189 13.869 -0.675
589 HB THR 73 HB THR 73 -4.847 11.602 0.681
590 HG1 THR 73 1HG THR 73 -3.809 9.989 -0.201
591 1HG2 THR 73 1HG2 THR 73 -5.740 12.841 -1.844
592 2HG2 THR 73 2HG2 THR 73 -6.646 12.472 -0.376
593 3HG2 THR 73 3HG2 THR 73 -6.304 11.197 -1.546
594 H THR 74 H THR 74 -3.088 15.125 0.819
595 HA THR 74 HA THR 74 -2.491 13.883 3.348
596 HB THR 74 HB THR 74 -0.264 13.818 3.330
597 HG1 THR 74 1HG THR 74 0.801 15.649 3.296
598 1HG2 THR 74 1HG2 THR 74 -0.563 12.851 1.150
599 2HG2 THR 74 2HG2 THR 74 0.876 13.872 1.113
600 3HG2 THR 74 3HG2 THR 74 -0.634 14.448 0.406
601 H SER 75 H SER 75 -0.944 15.925 4.464
602 HA SER 75 HA SER 75 -0.926 18.106 5.181
603 1HB SER 75 2HB SER 75 -2.062 18.591 2.832
604 2HB SER 75 1HB SER 75 -3.489 18.833 3.838
605 HG SER 75 HG SER 75 -1.005 20.188 3.999
606 H THR 76 H THR 76 -1.279 17.425 7.233
607 HA THR 76 HA THR 76 -3.690 18.211 8.483
608 HB THR 76 HB THR 76 -4.510 16.080 7.539
609 HG1 THR 76 1HG THR 76 -4.987 16.938 9.811
610 1HG2 THR 76 1HG2 THR 76 -2.386 14.809 9.271
611 2HG2 THR 76 2HG2 THR 76 -2.371 14.870 7.508
612 3HG2 THR 76 3HG2 THR 76 -3.623 13.955 8.348
613 H SER 77 H SER 77 -0.592 18.034 8.528
614 HA SER 77 HA SER 77 -0.407 17.789 11.443
615 1HB SER 77 2HB SER 77 1.793 16.713 9.698
616 2HB SER 77 1HB SER 77 1.474 16.385 11.402
617 HG SER 77 HG SER 77 -0.654 15.551 10.264
618 H THR 78 H THR 78 2.618 17.988 10.027
619 HA THR 78 HA THR 78 4.204 19.647 10.241
620 HB THR 78 HB THR 78 3.461 19.778 7.913
621 HG1 THR 78 1HG THR 78 4.834 21.538 9.148
622 1HG2 THR 78 1HG2 THR 78 1.304 21.388 9.143
623 2HG2 THR 78 2HG2 THR 78 1.260 20.311 7.742
624 3HG2 THR 78 3HG2 THR 78 1.910 21.945 7.578
625 HA PRO 79 HA PRO 79 1.920 22.736 12.856
626 1HB PRO 79 2HB PRO 79 1.281 21.528 15.105
627 2HB PRO 79 1HB PRO 79 0.386 21.158 13.623
628 1HG PRO 79 2HG PRO 79 2.434 19.531 15.045
629 2HG PRO 79 1HG PRO 79 1.033 19.001 14.098
630 1HD PRO 79 2HD PRO 79 3.756 19.277 13.221
631 2HD PRO 79 1HD PRO 79 2.347 18.774 12.263
632 H GLY 80 H GLY 80 4.810 21.989 12.597
633 1HA GLY 80 2HA GLY 80 5.696 22.932 15.255
634 2HA GLY 80 1HA GLY 80 6.609 21.754 14.323
635 H SER 81 H SER 81 8.101 23.743 15.027
636 HA SER 81 HA SER 81 8.669 25.117 12.560
637 1HB SER 81 2HB SER 81 7.014 26.642 13.524
638 2HB SER 81 1HB SER 81 7.939 26.718 15.024
639 HG SER 81 HG SER 81 9.579 27.311 13.029
640 H ARG 82 H ARG 82 9.430 25.738 15.991
641 HA ARG 82 HA ARG 82 12.277 25.527 15.313
642 1HB ARG 82 2HB ARG 82 11.061 26.635 17.845
643 2HB ARG 82 1HB ARG 82 12.725 26.800 17.302
644 1HG ARG 82 2HG ARG 82 11.117 27.829 15.240
645 2HG ARG 82 1HG ARG 82 10.470 28.466 16.754
646 1HD ARG 82 2HD ARG 82 12.254 29.869 15.687
647 2HD ARG 82 1HD ARG 82 12.573 29.397 17.355
648 HE ARG 82 HE ARG 82 13.726 27.731 15.264
649 1HH1 ARG 82 1HH1 ARG 82 14.166 30.255 17.623
650 2HH1 ARG 82 2HH1 ARG 82 15.889 30.093 17.666
651 1HH2 ARG 82 1HH2 ARG 82 15.996 27.508 15.313
652 2HH2 ARG 82 2HH2 ARG 82 16.930 28.532 16.353
653 H SER 83 H SER 83 13.575 24.016 16.167
654 HA SER 83 HA SER 83 14.215 22.075 17.161
655 1HB SER 83 2HB SER 83 13.813 23.685 19.159
656 2HB SER 83 1HB SER 83 12.375 22.709 19.454
657 HG SER 83 HG SER 83 15.063 21.800 19.355
658 H HIS 84 H HIS 84 13.286 20.617 15.737
659 HA HIS 84 HA HIS 84 10.598 19.827 15.712
660 1HB HIS 84 2HB HIS 84 12.910 18.031 14.981
661 2HB HIS 84 1HB HIS 84 11.277 18.014 14.325
662 HD2 HIS 84 2HD HIS 84 14.688 19.454 13.563
663 HE1 HIS 84 1HE HIS 84 11.894 21.556 11.180
664 HE2 HIS 84 2HE HIS 84 14.340 20.965 11.485
665 H HIS 85 H HIS 85 9.689 17.752 16.374
666 HA HIS 85 HA HIS 85 10.660 17.002 19.032
667 1HB HIS 85 2HB HIS 85 8.350 15.742 18.990
668 2HB HIS 85 1HB HIS 85 8.416 17.477 19.277
669 HD2 HIS 85 2HD HIS 85 8.010 15.257 16.024
670 HE1 HIS 85 1HE HIS 85 5.435 18.612 15.867
671 HE2 HIS 85 2HE HIS 85 6.068 16.421 14.759
672 H HIS 86 H HIS 86 10.254 14.631 19.616
673 HA HIS 86 HA HIS 86 10.908 12.469 19.385
674 1HB HIS 86 2HB HIS 86 9.164 13.036 17.217
675 2HB HIS 86 1HB HIS 86 10.465 12.026 16.592
676 HD2 HIS 86 2HD HIS 86 10.090 9.407 16.982
677 HE1 HIS 86 1HE HIS 86 7.246 9.723 20.101
678 HE2 HIS 86 2HE HIS 86 8.342 8.157 18.436
679 H HIS 87 H HIS 87 13.104 13.448 19.649
680 HA HIS 87 HA HIS 87 14.758 13.510 17.266
681 1HB HIS 87 2HB HIS 87 14.879 14.948 19.535
682 2HB HIS 87 1HB HIS 87 15.993 13.654 19.961
683 HD2 HIS 87 2HD HIS 87 18.503 14.203 19.254
684 HE1 HIS 87 1HE HIS 87 17.628 16.847 16.068
685 HE2 HIS 87 2HE HIS 87 19.469 15.631 17.316
686 H HIS 88 H HIS 88 13.486 10.991 18.250
687 HA HIS 88 HA HIS 88 15.954 9.398 18.479
688 1HB HIS 88 2HB HIS 88 13.560 9.392 20.160
689 2HB HIS 88 1HB HIS 88 13.976 7.794 19.553
690 HD2 HIS 88 2HD HIS 88 15.776 6.513 21.053
691 HE1 HIS 88 1HE HIS 88 17.407 9.910 22.979
692 HE2 HIS 88 2HE HIS 88 17.318 7.377 22.951
693 H HIS 89 H HIS 89 13.168 10.090 16.730
694 HA HIS 89 HA HIS 89 13.737 8.036 14.809
695 1HB HIS 89 2HB HIS 89 11.751 7.527 16.808
696 2HB HIS 89 1HB HIS 89 10.951 7.702 15.249
697 HD2 HIS 89 2HD HIS 89 10.629 4.813 16.045
698 HE1 HIS 89 1HE HIS 89 14.304 3.950 14.133
699 HE2 HIS 89 2HE HIS 89 12.248 2.955 15.233
Start of MODEL 23
1 1H MET 1 1HT MET 1 -12.458 -7.779 19.850
2 2H MET 1 2HT MET 1 -13.793 -6.843 19.398
3 3H MET 1 3HT MET 1 -12.307 -6.629 18.618
4 HA MET 1 HA MET 1 -12.425 -8.715 17.559
5 1HB MET 1 2HB MET 1 -14.386 -9.163 19.711
6 2HB MET 1 1HB MET 1 -14.829 -9.870 18.165
7 1HG MET 1 2HG MET 1 -13.647 -11.480 19.514
8 2HG MET 1 1HG MET 1 -12.688 -11.053 18.098
9 1HE MET 1 1HE MET 1 -9.987 -11.911 20.172
10 2HE MET 1 2HE MET 1 -11.581 -12.626 19.928
11 3HE MET 1 3HE MET 1 -11.099 -12.070 21.532
12 H ARG 2 H ARG 2 -12.738 -7.599 15.696
13 HA ARG 2 HA ARG 2 -15.279 -6.303 15.159
14 1HB ARG 2 2HB ARG 2 -14.037 -5.939 12.862
15 2HB ARG 2 1HB ARG 2 -13.617 -4.985 14.277
16 1HG ARG 2 2HG ARG 2 -11.524 -5.683 14.157
17 2HG ARG 2 1HG ARG 2 -12.051 -7.363 14.284
18 1HD ARG 2 2HD ARG 2 -12.495 -7.336 11.832
19 2HD ARG 2 1HD ARG 2 -11.782 -5.724 11.768
20 HE ARG 2 HE ARG 2 -10.132 -7.823 12.913
21 1HH1 ARG 2 1HH1 ARG 2 -10.936 -5.906 10.115
22 2HH1 ARG 2 2HH1 ARG 2 -9.428 -6.204 9.318
23 1HH2 ARG 2 1HH2 ARG 2 -8.144 -8.220 11.870
24 2HH2 ARG 2 2HH2 ARG 2 -7.841 -7.518 10.315
25 H GLY 3 H GLY 3 -16.268 -6.663 12.940
26 1HA GLY 3 2HA GLY 3 -16.662 -9.543 12.621
27 2HA GLY 3 1HA GLY 3 -17.703 -8.277 11.986
28 H SER 4 H SER 4 -17.430 -9.947 10.149
29 HA SER 4 HA SER 4 -16.657 -10.449 8.070
30 1HB SER 4 2HB SER 4 -16.518 -7.612 8.372
31 2HB SER 4 1HB SER 4 -15.134 -8.136 7.413
32 HG SER 4 HG SER 4 -17.854 -8.776 6.908
33 H ASN 5 H ASN 5 -15.242 -12.039 9.075
34 HA ASN 5 HA ASN 5 -12.521 -11.450 9.652
35 1HB ASN 5 2HB ASN 5 -14.230 -13.839 9.549
36 2HB ASN 5 1HB ASN 5 -12.545 -14.141 9.135
37 1HD2 ASN 5 1HD2 ASN 5 -10.964 -13.053 10.680
38 2HD2 ASN 5 2HD2 ASN 5 -11.326 -13.206 12.362
39 H ALA 6 H ALA 6 -11.010 -13.325 8.398
40 HA ALA 6 HA ALA 6 -11.325 -12.977 5.521
41 1HB ALA 6 1HB ALA 6 -9.440 -11.475 7.125
42 2HB ALA 6 2HB ALA 6 -9.889 -11.277 5.431
43 3HB ALA 6 3HB ALA 6 -8.632 -12.429 5.882
44 HA PRO 7 HA PRO 7 -9.840 -17.170 5.852
45 1HB PRO 7 2HB PRO 7 -9.683 -17.709 3.197
46 2HB PRO 7 1HB PRO 7 -11.215 -17.654 4.075
47 1HG PRO 7 2HG PRO 7 -9.947 -15.567 2.346
48 2HG PRO 7 1HG PRO 7 -11.643 -16.078 2.423
49 1HD PRO 7 2HD PRO 7 -10.728 -13.835 3.644
50 2HD PRO 7 1HD PRO 7 -12.077 -14.794 4.284
51 H GLN 8 H GLN 8 -8.380 -16.350 2.791
52 HA GLN 8 HA GLN 8 -6.220 -16.394 2.079
53 1HB GLN 8 2HB GLN 8 -5.545 -15.056 4.696
54 2HB GLN 8 1HB GLN 8 -4.723 -14.886 3.151
55 1HG GLN 8 2HG GLN 8 -7.369 -13.762 3.999
56 2HG GLN 8 1HG GLN 8 -5.938 -12.908 3.425
57 1HE2 GLN 8 1HE2 GLN 8 -8.927 -13.470 2.577
58 2HE2 GLN 8 2HE2 GLN 8 -8.784 -13.634 0.863
59 HA PRO 9 HA PRO 9 -5.140 -20.037 4.757
60 1HB PRO 9 2HB PRO 9 -5.055 -21.867 2.774
61 2HB PRO 9 1HB PRO 9 -6.562 -21.417 3.582
62 1HG PRO 9 2HG PRO 9 -5.475 -20.495 0.948
63 2HG PRO 9 1HG PRO 9 -7.133 -20.963 1.372
64 1HD PRO 9 2HD PRO 9 -6.318 -18.373 1.201
65 2HD PRO 9 1HD PRO 9 -7.607 -18.912 2.295
66 H SER 10 H SER 10 -3.100 -19.012 5.063
67 HA SER 10 HA SER 10 -0.836 -18.905 4.938
68 1HB SER 10 2HB SER 10 -1.503 -21.453 3.848
69 2HB SER 10 1HB SER 10 -0.189 -20.776 2.885
70 HG SER 10 HG SER 10 1.033 -20.566 4.740
71 H HIS 11 H HIS 11 0.246 -17.302 4.037
72 HA HIS 11 HA HIS 11 0.434 -17.048 1.158
73 1HB HIS 11 2HB HIS 11 -1.642 -15.725 2.256
74 2HB HIS 11 1HB HIS 11 -0.379 -14.521 2.483
75 HD2 HIS 11 2HD HIS 11 -2.355 -13.366 0.501
76 HE1 HIS 11 1HE HIS 11 -0.103 -15.120 -2.624
77 HE2 HIS 11 2HE HIS 11 -1.974 -13.504 -2.062
78 H ILE 12 H ILE 12 1.296 -14.226 1.405
79 HA ILE 12 HA ILE 12 4.038 -14.692 1.941
80 HB ILE 12 HB ILE 12 3.402 -13.002 0.330
81 1HG1 ILE 12 2HG1 ILE 12 4.483 -11.134 2.307
82 2HG1 ILE 12 1HG1 ILE 12 5.327 -12.682 2.289
83 1HG2 ILE 12 1HG2 ILE 12 1.713 -12.069 2.525
84 2HG2 ILE 12 2HG2 ILE 12 1.516 -11.887 0.781
85 3HG2 ILE 12 3HG2 ILE 12 2.561 -10.779 1.671
86 1HD1 ILE 12 1HD1 ILE 12 4.802 -11.195 -0.249
87 2HD1 ILE 12 2HD1 ILE 12 6.028 -12.415 0.095
88 3HD1 ILE 12 3HD1 ILE 12 6.177 -10.797 0.779
89 H SER 13 H SER 13 5.353 -13.895 3.601
90 HA SER 13 HA SER 13 4.440 -14.141 6.190
91 1HB SER 13 2HB SER 13 6.862 -14.076 5.319
92 2HB SER 13 1HB SER 13 6.740 -12.324 5.484
93 HG SER 13 HG SER 13 7.419 -13.949 7.350
94 H LYS 14 H LYS 14 4.940 -11.145 4.331
95 HA LYS 14 HA LYS 14 2.740 -9.831 5.489
96 1HB LYS 14 2HB LYS 14 3.797 -8.240 6.949
97 2HB LYS 14 1HB LYS 14 4.237 -9.856 7.478
98 1HG LYS 14 2HG LYS 14 6.156 -8.802 5.592
99 2HG LYS 14 1HG LYS 14 5.956 -7.739 6.987
100 1HD LYS 14 2HD LYS 14 6.047 -10.384 7.970
101 2HD LYS 14 1HD LYS 14 7.360 -10.223 6.803
102 1HE LYS 14 2HE LYS 14 8.533 -8.873 8.146
103 2HE LYS 14 1HE LYS 14 7.111 -7.920 8.568
104 1HZ LYS 14 1HZ LYS 14 8.259 -9.234 10.407
105 2HZ LYS 14 2HZ LYS 14 7.547 -10.605 9.717
106 3HZ LYS 14 3HZ LYS 14 6.574 -9.350 10.301
107 H TYR 15 H TYR 15 2.359 -7.785 4.625
108 HA TYR 15 HA TYR 15 4.025 -7.097 2.303
109 1HB TYR 15 2HB TYR 15 1.133 -6.871 2.936
110 2HB TYR 15 1HB TYR 15 1.827 -5.536 2.028
111 HD1 TYR 15 1HD TYR 15 0.349 -8.734 1.797
112 HD2 TYR 15 2HD TYR 15 3.206 -6.212 -0.095
113 HE1 TYR 15 1HE TYR 15 0.101 -10.021 -0.282
114 HE2 TYR 15 2HE TYR 15 2.964 -7.491 -2.179
115 HH TYR 15 HH TYR 15 0.874 -9.041 -3.158
116 H ILE 16 H ILE 16 5.029 -5.105 2.187
117 HA ILE 16 HA ILE 16 4.638 -3.335 4.512
118 HB ILE 16 HB ILE 16 7.121 -3.957 2.937
119 1HG1 ILE 16 2HG1 ILE 16 6.601 -5.341 4.908
120 2HG1 ILE 16 1HG1 ILE 16 8.061 -4.390 5.150
121 1HG2 ILE 16 1HG2 ILE 16 6.455 -1.469 4.433
122 2HG2 ILE 16 2HG2 ILE 16 7.413 -1.685 2.969
123 3HG2 ILE 16 3HG2 ILE 16 8.095 -2.107 4.539
124 1HD1 ILE 16 1HD1 ILE 16 6.112 -2.760 6.172
125 2HD1 ILE 16 2HD1 ILE 16 7.157 -3.833 7.105
126 3HD1 ILE 16 3HD1 ILE 16 5.550 -4.373 6.616
127 H LEU 17 H LEU 17 3.800 -1.422 4.131
128 HA LEU 17 HA LEU 17 3.908 -0.339 1.397
129 1HB LEU 17 2HB LEU 17 1.714 -0.801 2.943
130 2HB LEU 17 1HB LEU 17 2.059 0.868 3.353
131 HG LEU 17 HG LEU 17 2.100 0.382 0.474
132 1HD1 LEU 17 1HD1 LEU 17 0.394 -1.167 0.694
133 2HD1 LEU 17 2HD1 LEU 17 -0.487 0.348 0.489
134 3HD1 LEU 17 3HD1 LEU 17 -0.301 -0.355 2.096
135 1HD2 LEU 17 1HD2 LEU 17 0.508 2.335 0.597
136 2HD2 LEU 17 2HD2 LEU 17 2.111 2.610 1.275
137 3HD2 LEU 17 3HD2 LEU 17 0.741 2.307 2.345
138 H ARG 18 H ARG 18 5.403 1.194 1.153
139 HA ARG 18 HA ARG 18 5.949 2.970 3.438
140 1HB ARG 18 2HB ARG 18 7.811 2.086 1.229
141 2HB ARG 18 1HB ARG 18 8.211 3.281 2.453
142 1HG ARG 18 2HG ARG 18 8.536 1.732 4.060
143 2HG ARG 18 1HG ARG 18 7.264 0.671 3.448
144 1HD ARG 18 2HD ARG 18 8.711 -0.531 2.244
145 2HD ARG 18 1HD ARG 18 9.501 0.911 1.607
146 HE ARG 18 HE ARG 18 10.295 0.586 4.265
147 1HH1 ARG 18 1HH1 ARG 18 10.639 -1.018 1.191
148 2HH1 ARG 18 2HH1 ARG 18 12.178 -1.711 1.580
149 1HH2 ARG 18 1HH2 ARG 18 12.320 -0.321 4.786
150 2HH2 ARG 18 2HH2 ARG 18 13.135 -1.316 3.624
151 H TRP 19 H TRP 19 5.572 5.087 3.160
152 HA TRP 19 HA TRP 19 5.724 6.235 0.502
153 1HB TRP 19 2HB TRP 19 3.515 6.982 0.310
154 2HB TRP 19 1HB TRP 19 3.352 5.325 0.879
155 HD1 TRP 19 HD TRP 19 2.611 8.907 1.850
156 HE1 TRP 19 1HE TRP 19 1.237 8.926 4.028
157 HE3 TRP 19 3HE TRP 19 3.018 3.968 3.114
158 HZ2 TRP 19 2HZ TRP 19 0.430 7.089 6.016
159 HZ3 TRP 19 3HZ TRP 19 1.913 3.179 5.166
160 HH2 TRP 19 HH TRP 19 0.647 4.710 6.587
161 H ARG 20 H ARG 20 5.768 8.512 0.455
162 HA ARG 20 HA ARG 20 5.752 10.034 2.897
163 1HB ARG 20 2HB ARG 20 8.038 10.638 2.979
164 2HB ARG 20 1HB ARG 20 8.030 8.889 2.799
165 1HG ARG 20 2HG ARG 20 9.249 9.027 0.959
166 2HG ARG 20 1HG ARG 20 8.083 10.121 0.214
167 1HD ARG 20 2HD ARG 20 9.262 11.978 0.774
168 2HD ARG 20 1HD ARG 20 9.853 11.279 2.280
169 HE ARG 20 HE ARG 20 10.953 10.551 -0.357
170 1HH1 ARG 20 1HH1 ARG 20 11.348 11.407 2.998
171 2HH1 ARG 20 2HH1 ARG 20 13.070 11.228 2.974
172 1HH2 ARG 20 1HH2 ARG 20 13.224 10.314 -0.395
173 2HH2 ARG 20 2HH2 ARG 20 14.136 10.606 1.047
174 HA PRO 21 HA PRO 21 4.680 13.333 0.181
175 1HB PRO 21 2HB PRO 21 6.622 15.123 1.524
176 2HB PRO 21 1HB PRO 21 4.870 15.276 1.366
177 1HG PRO 21 2HG PRO 21 6.010 14.617 3.699
178 2HG PRO 21 1HG PRO 21 4.448 13.943 3.200
179 1HD PRO 21 2HD PRO 21 7.157 12.680 3.168
180 2HD PRO 21 1HD PRO 21 5.580 11.963 3.562
181 H LYS 22 H LYS 22 5.361 13.174 -1.861
182 HA LYS 22 HA LYS 22 8.035 12.832 -2.660
183 1HB LYS 22 2HB LYS 22 5.580 12.614 -3.874
184 2HB LYS 22 1HB LYS 22 6.267 14.021 -4.673
185 1HG LYS 22 2HG LYS 22 8.345 12.208 -4.670
186 2HG LYS 22 1HG LYS 22 6.917 11.212 -4.967
187 1HD LYS 22 2HD LYS 22 6.660 13.556 -6.534
188 2HD LYS 22 1HD LYS 22 8.299 12.942 -6.764
189 1HE LYS 22 2HE LYS 22 6.108 10.956 -6.825
190 2HE LYS 22 1HE LYS 22 6.197 12.079 -8.181
191 1HZ LYS 22 1HZ LYS 22 7.604 10.523 -8.962
192 2HZ LYS 22 2HZ LYS 22 8.010 9.934 -7.429
193 3HZ LYS 22 3HZ LYS 22 8.737 11.346 -8.010
194 H ASN 23 H ASN 23 6.058 15.679 -2.210
195 HA ASN 23 HA ASN 23 8.173 17.386 -3.304
196 1HB ASN 23 2HB ASN 23 5.506 17.542 -3.669
197 2HB ASN 23 1HB ASN 23 5.675 18.595 -2.266
198 1HD2 ASN 23 1HD2 ASN 23 7.218 20.357 -2.435
199 2HD2 ASN 23 2HD2 ASN 23 7.475 21.102 -3.971
200 H SER 24 H SER 24 6.383 16.744 -0.339
201 HA SER 24 HA SER 24 7.929 18.734 1.125
202 1HB SER 24 2HB SER 24 5.839 18.881 2.010
203 2HB SER 24 1HB SER 24 5.426 17.226 1.576
204 HG SER 24 HG SER 24 5.605 17.076 3.707
205 H VAL 25 H VAL 25 8.705 18.010 3.366
206 HA VAL 25 HA VAL 25 10.056 15.402 3.110
207 HB VAL 25 HB VAL 25 11.613 17.319 2.936
208 1HG1 VAL 25 1HG1 VAL 25 10.733 19.047 4.204
209 2HG1 VAL 25 2HG1 VAL 25 12.072 18.482 5.204
210 3HG1 VAL 25 3HG1 VAL 25 10.419 18.005 5.593
211 1HG2 VAL 25 1HG2 VAL 25 13.135 16.574 4.833
212 2HG2 VAL 25 2HG2 VAL 25 12.582 15.326 3.717
213 3HG2 VAL 25 3HG2 VAL 25 11.832 15.484 5.305
214 H GLY 26 H GLY 26 9.939 13.995 4.798
215 1HA GLY 26 2HA GLY 26 9.505 14.616 7.476
216 2HA GLY 26 1HA GLY 26 7.922 14.392 6.752
217 H ARG 27 H ARG 27 10.805 12.629 5.789
218 HA ARG 27 HA ARG 27 11.348 10.423 5.842
219 1HB ARG 27 2HB ARG 27 9.833 10.699 8.420
220 2HB ARG 27 1HB ARG 27 10.448 9.136 7.902
221 1HG ARG 27 2HG ARG 27 12.641 10.732 7.604
222 2HG ARG 27 1HG ARG 27 11.856 11.436 9.021
223 1HD ARG 27 2HD ARG 27 12.814 9.820 10.218
224 2HD ARG 27 1HD ARG 27 11.695 8.701 9.441
225 HE ARG 27 HE ARG 27 13.564 8.590 7.666
226 1HH1 ARG 27 1HH1 ARG 27 14.040 8.931 11.104
227 2HH1 ARG 27 2HH1 ARG 27 15.587 8.152 11.094
228 1HH2 ARG 27 1HH2 ARG 27 15.596 7.565 7.647
229 2HH2 ARG 27 2HH2 ARG 27 16.471 7.376 9.129
230 H TRP 28 H TRP 28 10.348 8.128 5.983
231 HA TRP 28 HA TRP 28 7.987 8.160 4.281
232 1HB TRP 28 2HB TRP 28 9.904 5.960 5.074
233 2HB TRP 28 1HB TRP 28 8.501 5.702 4.043
234 HD1 TRP 28 HD TRP 28 11.815 7.697 4.051
235 HE1 TRP 28 1HE TRP 28 12.552 8.026 1.608
236 HE3 TRP 28 3HE TRP 28 7.762 5.653 1.696
237 HZ2 TRP 28 2HZ TRP 28 11.547 7.492 -0.977
238 HZ3 TRP 28 3HZ TRP 28 7.729 5.600 -0.763
239 HH2 TRP 28 HH TRP 28 9.582 6.502 -2.072
240 H LYS 29 H LYS 29 6.774 5.800 4.759
241 HA LYS 29 HA LYS 29 6.073 5.676 7.594
242 1HB LYS 29 2HB LYS 29 4.100 6.190 5.359
243 2HB LYS 29 1HB LYS 29 3.632 5.653 6.966
244 1HG LYS 29 2HG LYS 29 5.342 7.960 7.129
245 2HG LYS 29 1HG LYS 29 3.955 8.275 6.084
246 1HD LYS 29 2HD LYS 29 2.995 8.794 8.077
247 2HD LYS 29 1HD LYS 29 2.684 7.057 8.085
248 1HE LYS 29 2HE LYS 29 3.979 6.752 9.871
249 2HE LYS 29 1HE LYS 29 5.302 7.665 9.146
250 1HZ LYS 29 1HZ LYS 29 4.708 9.545 10.209
251 2HZ LYS 29 2HZ LYS 29 4.008 8.468 11.309
252 3HZ LYS 29 3HZ LYS 29 3.050 9.218 10.135
253 H GLU 30 H GLU 30 5.291 3.636 8.230
254 HA GLU 30 HA GLU 30 5.402 1.585 6.116
255 1HB GLU 30 2HB GLU 30 6.383 1.457 8.963
256 2HB GLU 30 1HB GLU 30 6.198 0.036 7.944
257 1HG GLU 30 2HG GLU 30 8.152 0.396 6.977
258 2HG GLU 30 1HG GLU 30 7.703 2.052 6.564
259 H ALA 31 H ALA 31 3.795 0.192 5.935
260 HA ALA 31 HA ALA 31 1.886 -0.173 8.122
261 1HB ALA 31 1HB ALA 31 0.044 0.551 6.999
262 2HB ALA 31 2HB ALA 31 0.707 0.133 5.420
263 3HB ALA 31 3HB ALA 31 1.236 1.604 6.238
264 H THR 32 H THR 32 1.958 -2.314 8.469
265 HA THR 32 HA THR 32 2.583 -4.109 6.277
266 HB THR 32 HB THR 32 2.252 -4.614 9.233
267 HG1 THR 32 1HG THR 32 4.218 -3.681 8.784
268 1HG2 THR 32 1HG2 THR 32 1.515 -6.629 8.216
269 2HG2 THR 32 2HG2 THR 32 3.209 -6.899 8.631
270 3HG2 THR 32 3HG2 THR 32 2.756 -6.538 6.965
271 H ILE 33 H ILE 33 1.298 -5.573 5.375
272 HA ILE 33 HA ILE 33 -1.419 -5.937 6.426
273 HB ILE 33 HB ILE 33 -1.036 -5.915 3.466
274 1HG1 ILE 33 2HG1 ILE 33 -1.993 -3.352 4.436
275 2HG1 ILE 33 1HG1 ILE 33 -0.349 -3.672 4.985
276 1HG2 ILE 33 1HG2 ILE 33 -3.132 -6.691 4.421
277 2HG2 ILE 33 2HG2 ILE 33 -3.378 -5.201 3.511
278 3HG2 ILE 33 3HG2 ILE 33 -3.328 -5.160 5.274
279 1HD1 ILE 33 1HD1 ILE 33 -1.040 -2.589 2.581
280 2HD1 ILE 33 2HD1 ILE 33 -0.776 -4.283 2.169
281 3HD1 ILE 33 3HD1 ILE 33 0.503 -3.357 2.952
282 HA PRO 34 HA PRO 34 0.376 -10.080 6.069
283 1HB PRO 34 2HB PRO 34 -2.255 -10.801 7.209
284 2HB PRO 34 1HB PRO 34 -0.637 -11.211 7.778
285 1HG PRO 34 2HG PRO 34 -2.136 -9.413 9.059
286 2HG PRO 34 1HG PRO 34 -0.383 -9.196 8.894
287 1HD PRO 34 2HD PRO 34 -2.609 -7.888 7.379
288 2HD PRO 34 1HD PRO 34 -1.091 -7.189 7.982
289 H GLY 35 H GLY 35 0.335 -10.417 3.865
290 1HA GLY 35 2HA GLY 35 -0.400 -11.334 1.893
291 2HA GLY 35 1HA GLY 35 -1.650 -12.131 2.836
292 H HIS 36 H HIS 36 -3.680 -11.162 3.052
293 HA HIS 36 HA HIS 36 -4.370 -8.615 2.109
294 1HB HIS 36 2HB HIS 36 -3.732 -10.025 -0.043
295 2HB HIS 36 1HB HIS 36 -5.370 -10.641 0.154
296 HD2 HIS 36 2HD HIS 36 -5.187 -6.976 1.120
297 HE1 HIS 36 1HE HIS 36 -6.441 -7.150 -2.917
298 HE2 HIS 36 2HE HIS 36 -6.336 -5.713 -0.832
299 H LEU 37 H LEU 37 -5.418 -8.955 4.172
300 HA LEU 37 HA LEU 37 -7.503 -10.882 4.462
301 1HB LEU 37 2HB LEU 37 -8.061 -9.630 6.514
302 2HB LEU 37 1HB LEU 37 -6.364 -10.063 6.416
303 HG LEU 37 HG LEU 37 -6.991 -7.393 5.359
304 1HD1 LEU 37 1HD1 LEU 37 -7.995 -8.208 7.954
305 2HD1 LEU 37 2HD1 LEU 37 -8.272 -6.720 7.050
306 3HD1 LEU 37 3HD1 LEU 37 -6.841 -6.879 8.069
307 1HD2 LEU 37 1HD2 LEU 37 -5.064 -7.640 7.515
308 2HD2 LEU 37 2HD2 LEU 37 -4.846 -7.063 5.863
309 3HD2 LEU 37 3HD2 LEU 37 -4.767 -8.790 6.212
310 H ASN 38 H ASN 38 -7.331 -7.547 3.417
311 HA ASN 38 HA ASN 38 -9.800 -7.663 2.061
312 1HB ASN 38 2HB ASN 38 -11.246 -6.374 3.383
313 2HB ASN 38 1HB ASN 38 -10.502 -7.478 4.536
314 1HD2 ASN 38 1HD2 ASN 38 -8.046 -6.271 4.875
315 2HD2 ASN 38 2HD2 ASN 38 -8.267 -4.744 5.656
316 H SER 39 H SER 39 -10.516 -4.986 2.018
317 HA SER 39 HA SER 39 -8.391 -3.900 0.419
318 1HB SER 39 2HB SER 39 -11.212 -3.505 0.679
319 2HB SER 39 1HB SER 39 -10.408 -1.945 0.851
320 HG SER 39 HG SER 39 -9.257 -3.262 -1.152
321 H TYR 40 H TYR 40 -6.751 -2.762 1.182
322 HA TYR 40 HA TYR 40 -7.048 -1.363 3.749
323 1HB TYR 40 2HB TYR 40 -5.165 -3.120 3.178
324 2HB TYR 40 1HB TYR 40 -4.403 -1.738 2.399
325 HD1 TYR 40 1HD TYR 40 -4.829 -3.487 5.445
326 HD2 TYR 40 2HD TYR 40 -4.161 0.406 3.865
327 HE1 TYR 40 1HE TYR 40 -3.939 -2.763 7.620
328 HE2 TYR 40 2HE TYR 40 -3.268 1.141 6.034
329 HH TYR 40 HH TYR 40 -2.251 0.156 8.037
330 H THR 41 H THR 41 -7.522 0.724 3.573
331 HA THR 41 HA THR 41 -6.263 2.264 1.395
332 HB THR 41 HB THR 41 -8.607 2.168 0.918
333 HG1 THR 41 1HG THR 41 -9.106 4.542 1.560
334 1HG2 THR 41 1HG2 THR 41 -8.977 2.961 3.803
335 2HG2 THR 41 2HG2 THR 41 -9.559 1.505 2.995
336 3HG2 THR 41 3HG2 THR 41 -10.262 3.074 2.600
337 H ILE 42 H ILE 42 -5.169 4.057 1.932
338 HA ILE 42 HA ILE 42 -5.004 4.739 4.774
339 HB ILE 42 HB ILE 42 -3.202 5.422 2.452
340 1HG1 ILE 42 2HG1 ILE 42 -2.165 4.051 4.847
341 2HG1 ILE 42 1HG1 ILE 42 -3.336 3.123 3.915
342 1HG2 ILE 42 1HG2 ILE 42 -2.920 6.229 5.344
343 2HG2 ILE 42 2HG2 ILE 42 -3.301 7.306 4.000
344 3HG2 ILE 42 3HG2 ILE 42 -1.731 6.505 4.072
345 1HD1 ILE 42 1HD1 ILE 42 -1.156 2.566 3.148
346 2HD1 ILE 42 2HD1 ILE 42 -0.732 4.266 2.950
347 3HD1 ILE 42 3HD1 ILE 42 -1.940 3.531 1.897
348 H LYS 43 H LYS 43 -6.194 6.380 5.478
349 HA LYS 43 HA LYS 43 -6.711 8.632 3.648
350 1HB LYS 43 2HB LYS 43 -8.525 7.343 5.680
351 2HB LYS 43 1HB LYS 43 -8.827 8.953 5.041
352 1HG LYS 43 2HG LYS 43 -8.468 7.512 2.757
353 2HG LYS 43 1HG LYS 43 -9.242 6.332 3.817
354 1HD LYS 43 2HD LYS 43 -11.173 7.581 4.019
355 2HD LYS 43 1HD LYS 43 -10.355 9.097 3.631
356 1HE LYS 43 2HE LYS 43 -10.106 7.359 1.397
357 2HE LYS 43 1HE LYS 43 -11.796 7.358 1.903
358 1HZ LYS 43 1HZ LYS 43 -10.327 9.897 1.600
359 2HZ LYS 43 2HZ LYS 43 -11.994 9.617 1.534
360 3HZ LYS 43 3HZ LYS 43 -11.004 9.133 0.251
361 H GLY 44 H GLY 44 -6.238 10.636 4.364
362 1HA GLY 44 2HA GLY 44 -6.319 12.059 6.476
363 2HA GLY 44 1HA GLY 44 -5.227 10.847 7.128
364 H LEU 45 H LEU 45 -5.002 11.802 3.798
365 HA LEU 45 HA LEU 45 -2.399 13.025 4.377
366 1HB LEU 45 2HB LEU 45 -3.430 12.234 1.659
367 2HB LEU 45 1HB LEU 45 -1.770 12.527 2.147
368 HG LEU 45 HG LEU 45 -3.127 10.335 3.575
369 1HD1 LEU 45 1HD1 LEU 45 -2.264 9.040 1.314
370 2HD1 LEU 45 2HD1 LEU 45 -3.088 10.459 0.669
371 3HD1 LEU 45 3HD1 LEU 45 -3.944 9.357 1.748
372 1HD2 LEU 45 1HD2 LEU 45 -0.805 9.357 2.643
373 2HD2 LEU 45 2HD2 LEU 45 -0.936 10.310 4.121
374 3HD2 LEU 45 3HD2 LEU 45 -0.441 11.082 2.615
375 H LYS 46 H LYS 46 -1.803 14.739 2.613
376 HA LYS 46 HA LYS 46 -3.899 16.758 2.719
377 1HB LYS 46 2HB LYS 46 -0.945 16.803 2.692
378 2HB LYS 46 1HB LYS 46 -1.738 18.105 1.816
379 1HG LYS 46 2HG LYS 46 -3.107 18.454 3.950
380 2HG LYS 46 1HG LYS 46 -1.891 17.444 4.733
381 1HD LYS 46 2HD LYS 46 -1.117 19.828 3.082
382 2HD LYS 46 1HD LYS 46 -1.563 19.992 4.782
383 1HE LYS 46 2HE LYS 46 0.178 18.095 5.144
384 2HE LYS 46 1HE LYS 46 0.779 18.586 3.560
385 1HZ LYS 46 1HZ LYS 46 0.847 20.024 6.104
386 2HZ LYS 46 2HZ LYS 46 0.653 20.945 4.698
387 3HZ LYS 46 3HZ LYS 46 2.007 19.947 4.875
388 HA PRO 47 HA PRO 47 -4.611 16.076 -1.641
389 1HB PRO 47 2HB PRO 47 -6.213 18.529 -1.528
390 2HB PRO 47 1HB PRO 47 -6.722 16.874 -1.875
391 1HG PRO 47 2HG PRO 47 -7.386 18.126 0.418
392 2HG PRO 47 1HG PRO 47 -7.089 16.378 0.344
393 1HD PRO 47 2HD PRO 47 -5.281 18.569 1.302
394 2HD PRO 47 1HD PRO 47 -5.569 16.960 1.999
395 H GLY 48 H GLY 48 -2.738 18.387 -0.264
396 1HA GLY 48 2HA GLY 48 -2.426 19.979 -2.714
397 2HA GLY 48 1HA GLY 48 -1.799 20.405 -1.129
398 H VAL 49 H VAL 49 -0.721 17.694 -0.676
399 HA VAL 49 HA VAL 49 1.546 17.817 -2.557
400 HB VAL 49 HB VAL 49 2.236 18.583 -0.351
401 1HG1 VAL 49 1HG1 VAL 49 2.204 16.292 1.240
402 2HG1 VAL 49 2HG1 VAL 49 0.591 16.391 0.534
403 3HG1 VAL 49 3HG1 VAL 49 1.238 17.752 1.450
404 1HG2 VAL 49 1HG2 VAL 49 4.160 17.660 -0.978
405 2HG2 VAL 49 2HG2 VAL 49 3.340 16.273 -1.693
406 3HG2 VAL 49 3HG2 VAL 49 3.732 16.275 0.026
407 H VAL 50 H VAL 50 2.157 15.980 -3.541
408 HA VAL 50 HA VAL 50 0.464 13.671 -3.318
409 HB VAL 50 HB VAL 50 2.968 14.063 -4.962
410 1HG1 VAL 50 1HG1 VAL 50 1.132 11.801 -4.598
411 2HG1 VAL 50 2HG1 VAL 50 2.796 11.831 -5.178
412 3HG1 VAL 50 3HG1 VAL 50 1.472 12.219 -6.277
413 1HG2 VAL 50 1HG2 VAL 50 0.072 14.614 -5.492
414 2HG2 VAL 50 2HG2 VAL 50 1.183 14.255 -6.813
415 3HG2 VAL 50 3HG2 VAL 50 1.472 15.649 -5.773
416 H TYR 51 H TYR 51 1.034 11.595 -2.691
417 HA TYR 51 HA TYR 51 3.495 11.389 -1.081
418 1HB TYR 51 2HB TYR 51 0.748 10.236 -0.609
419 2HB TYR 51 1HB TYR 51 2.178 9.635 0.221
420 HD1 TYR 51 1HD TYR 51 -0.033 12.553 -0.207
421 HD2 TYR 51 2HD TYR 51 3.160 10.851 2.028
422 HE1 TYR 51 1HE TYR 51 -0.291 14.314 1.490
423 HE2 TYR 51 2HE TYR 51 2.913 12.606 3.731
424 HH TYR 51 HH TYR 51 0.239 14.577 3.961
425 H GLU 52 H GLU 52 4.912 10.224 -2.247
426 HA GLU 52 HA GLU 52 4.046 8.173 -4.076
427 1HB GLU 52 2HB GLU 52 6.472 7.846 -4.475
428 2HB GLU 52 1HB GLU 52 5.966 9.517 -4.679
429 1HG GLU 52 2HG GLU 52 6.933 10.155 -2.611
430 2HG GLU 52 1HG GLU 52 7.197 8.476 -2.143
431 H GLY 53 H GLY 53 3.902 6.040 -3.692
432 1HA GLY 53 2HA GLY 53 5.157 5.002 -1.239
433 2HA GLY 53 1HA GLY 53 3.477 4.652 -1.595
434 H GLN 54 H GLN 54 5.597 2.790 -1.179
435 HA GLN 54 HA GLN 54 5.457 1.366 -3.739
436 1HB GLN 54 2HB GLN 54 7.883 0.826 -2.170
437 2HB GLN 54 1HB GLN 54 7.686 1.030 -3.905
438 1HG GLN 54 2HG GLN 54 7.573 3.479 -3.554
439 2HG GLN 54 1HG GLN 54 7.911 3.213 -1.845
440 1HE2 GLN 54 1HE2 GLN 54 9.282 1.530 -4.621
441 2HE2 GLN 54 2HE2 GLN 54 10.913 2.030 -4.349
442 H LEU 55 H LEU 55 4.866 -0.731 -3.567
443 HA LEU 55 HA LEU 55 4.418 -1.762 -0.863
444 1HB LEU 55 2HB LEU 55 2.624 -1.608 -2.773
445 2HB LEU 55 1HB LEU 55 3.384 -3.077 -3.347
446 HG LEU 55 HG LEU 55 2.084 -4.258 -1.984
447 1HD1 LEU 55 1HD1 LEU 55 3.124 -2.669 0.355
448 2HD1 LEU 55 2HD1 LEU 55 3.967 -4.033 -0.380
449 3HD1 LEU 55 3HD1 LEU 55 2.400 -4.276 0.391
450 1HD2 LEU 55 1HD2 LEU 55 1.123 -1.530 -1.380
451 2HD2 LEU 55 2HD2 LEU 55 0.631 -2.816 -0.278
452 3HD2 LEU 55 3HD2 LEU 55 0.252 -2.935 -1.996
453 H ILE 56 H ILE 56 6.113 -2.867 -0.144
454 HA ILE 56 HA ILE 56 7.541 -4.648 -1.991
455 HB ILE 56 HB ILE 56 8.387 -3.567 0.701
456 1HG1 ILE 56 2HG1 ILE 56 10.242 -2.672 -1.025
457 2HG1 ILE 56 1HG1 ILE 56 8.863 -2.750 -2.117
458 1HG2 ILE 56 1HG2 ILE 56 9.207 -5.877 0.159
459 2HG2 ILE 56 2HG2 ILE 56 10.470 -4.673 0.408
460 3HG2 ILE 56 3HG2 ILE 56 10.044 -5.179 -1.227
461 1HD1 ILE 56 1HD1 ILE 56 8.841 -0.571 -1.304
462 2HD1 ILE 56 2HD1 ILE 56 9.219 -1.081 0.342
463 3HD1 ILE 56 3HD1 ILE 56 7.621 -1.399 -0.335
464 H SER 57 H SER 57 6.937 -6.699 -1.921
465 HA SER 57 HA SER 57 5.590 -7.767 0.409
466 1HB SER 57 2HB SER 57 6.281 -9.549 -1.861
467 2HB SER 57 1HB SER 57 4.766 -9.386 -0.970
468 HG SER 57 HG SER 57 4.636 -8.599 -3.135
469 H ILE 58 H ILE 58 6.618 -8.705 2.006
470 HA ILE 58 HA ILE 58 9.296 -9.825 1.514
471 HB ILE 58 HB ILE 58 8.079 -8.679 4.023
472 1HG1 ILE 58 2HG1 ILE 58 10.749 -7.880 3.023
473 2HG1 ILE 58 1HG1 ILE 58 9.381 -7.412 2.019
474 1HG2 ILE 58 1HG2 ILE 58 9.323 -10.080 5.221
475 2HG2 ILE 58 2HG2 ILE 58 10.748 -9.296 4.540
476 3HG2 ILE 58 3HG2 ILE 58 10.082 -10.737 3.771
477 1HD1 ILE 58 1HD1 ILE 58 8.365 -6.376 4.061
478 2HD1 ILE 58 2HD1 ILE 58 9.843 -5.610 3.477
479 3HD1 ILE 58 3HD1 ILE 58 9.898 -6.673 4.883
480 H GLN 59 H GLN 59 9.281 -11.951 1.311
481 HA GLN 59 HA GLN 59 7.238 -13.562 2.613
482 1HB GLN 59 2HB GLN 59 9.035 -13.862 0.325
483 2HB GLN 59 1HB GLN 59 8.949 -15.306 1.322
484 1HG GLN 59 2HG GLN 59 6.430 -13.954 0.489
485 2HG GLN 59 1HG GLN 59 7.301 -14.962 -0.665
486 1HE2 GLN 59 1HE2 GLN 59 6.171 -15.042 2.699
487 2HE2 GLN 59 2HE2 GLN 59 5.663 -16.693 2.669
488 H GLN 60 H GLN 60 8.319 -15.867 3.272
489 HA GLN 60 HA GLN 60 9.720 -15.320 5.678
490 1HB GLN 60 2HB GLN 60 9.472 -18.020 4.356
491 2HB GLN 60 1HB GLN 60 9.668 -17.673 6.068
492 1HG GLN 60 2HG GLN 60 7.394 -16.386 5.707
493 2HG GLN 60 1HG GLN 60 7.246 -17.518 4.364
494 1HE2 GLN 60 1HE2 GLN 60 8.651 -19.661 5.625
495 2HE2 GLN 60 2HE2 GLN 60 7.626 -20.286 6.866
496 H TYR 61 H TYR 61 10.742 -15.711 2.478
497 HA TYR 61 HA TYR 61 13.456 -16.490 3.271
498 1HB TYR 61 2HB TYR 61 12.079 -16.393 0.585
499 2HB TYR 61 1HB TYR 61 13.805 -16.686 0.767
500 HD1 TYR 61 1HD TYR 61 10.527 -17.997 1.997
501 HD2 TYR 61 2HD TYR 61 14.545 -18.871 0.912
502 HE1 TYR 61 1HE TYR 61 10.081 -20.396 2.303
503 HE2 TYR 61 2HE TYR 61 14.111 -21.273 1.214
504 HH TYR 61 HH TYR 61 12.652 -22.787 2.084
505 H GLY 62 H GLY 62 11.732 -13.748 2.991
506 1HA GLY 62 2HA GLY 62 12.947 -11.660 3.352
507 2HA GLY 62 1HA GLY 62 14.100 -12.202 2.143
508 H HIS 63 H HIS 63 13.261 -9.785 1.666
509 HA HIS 63 HA HIS 63 10.815 -9.401 0.372
510 1HB HIS 63 2HB HIS 63 11.892 -7.438 -0.689
511 2HB HIS 63 1HB HIS 63 12.204 -7.523 1.040
512 HD2 HIS 63 2HD HIS 63 14.285 -5.788 -0.550
513 HE1 HIS 63 1HE HIS 63 16.773 -9.210 -0.478
514 HE2 HIS 63 2HE HIS 63 16.667 -6.725 -0.968
515 H GLN 64 H GLN 64 10.166 -9.519 -1.782
516 HA GLN 64 HA GLN 64 12.017 -10.461 -3.796
517 1HB GLN 64 2HB GLN 64 10.016 -12.301 -4.186
518 2HB GLN 64 1HB GLN 64 11.581 -12.633 -3.461
519 1HG GLN 64 2HG GLN 64 10.469 -12.018 -1.238
520 2HG GLN 64 1HG GLN 64 8.943 -12.190 -2.107
521 1HE2 GLN 64 1HE2 GLN 64 11.909 -13.871 -1.220
522 2HE2 GLN 64 2HE2 GLN 64 11.235 -15.462 -1.259
523 H GLU 65 H GLU 65 9.541 -8.540 -2.956
524 HA GLU 65 HA GLU 65 8.737 -8.198 -5.742
525 1HB GLU 65 2HB GLU 65 7.107 -9.553 -3.948
526 2HB GLU 65 1HB GLU 65 6.447 -7.924 -3.971
527 1HG GLU 65 2HG GLU 65 6.387 -8.085 -6.472
528 2HG GLU 65 1HG GLU 65 6.811 -9.788 -6.301
529 H VAL 66 H VAL 66 8.649 -6.120 -6.314
530 HA VAL 66 HA VAL 66 8.164 -4.094 -4.247
531 HB VAL 66 HB VAL 66 10.300 -3.760 -6.352
532 1HG1 VAL 66 1HG1 VAL 66 9.431 -1.658 -5.675
533 2HG1 VAL 66 2HG1 VAL 66 10.956 -1.871 -4.814
534 3HG1 VAL 66 3HG1 VAL 66 9.427 -2.131 -3.975
535 1HG2 VAL 66 1HG2 VAL 66 11.358 -5.302 -5.034
536 2HG2 VAL 66 2HG2 VAL 66 10.430 -4.874 -3.596
537 3HG2 VAL 66 3HG2 VAL 66 11.746 -3.832 -4.139
538 H THR 67 H THR 67 6.757 -2.557 -4.846
539 HA THR 67 HA THR 67 6.251 -2.121 -7.707
540 HB THR 67 HB THR 67 3.872 -2.041 -5.939
541 HG1 THR 67 1HG THR 67 4.921 -4.017 -5.335
542 1HG2 THR 67 1HG2 THR 67 4.542 -2.556 -8.780
543 2HG2 THR 67 2HG2 THR 67 3.213 -1.633 -8.078
544 3HG2 THR 67 3HG2 THR 67 3.133 -3.394 -8.131
545 H ARG 68 H ARG 68 6.349 -0.014 -8.186
546 HA ARG 68 HA ARG 68 6.095 1.917 -5.991
547 1HB ARG 68 2HB ARG 68 7.256 2.379 -8.739
548 2HB ARG 68 1HB ARG 68 7.371 3.446 -7.344
549 1HG ARG 68 2HG ARG 68 8.725 1.803 -6.173
550 2HG ARG 68 1HG ARG 68 8.581 0.694 -7.537
551 1HD ARG 68 2HD ARG 68 9.896 3.409 -7.573
552 2HD ARG 68 1HD ARG 68 10.721 1.851 -7.580
553 HE ARG 68 HE ARG 68 8.867 2.322 -9.761
554 1HH1 ARG 68 1HH1 ARG 68 12.167 2.404 -8.639
555 2HH1 ARG 68 2HH1 ARG 68 12.845 2.375 -10.233
556 1HH2 ARG 68 1HH2 ARG 68 9.754 2.284 -11.864
557 2HH2 ARG 68 2HH2 ARG 68 11.474 2.307 -12.064
558 H PHE 69 H PHE 69 4.591 3.474 -5.965
559 HA PHE 69 HA PHE 69 3.063 4.161 -8.321
560 1HB PHE 69 2HB PHE 69 0.883 3.688 -7.003
561 2HB PHE 69 1HB PHE 69 1.699 2.340 -7.791
562 HD1 PHE 69 1HD PHE 69 1.566 4.101 -4.504
563 HD2 PHE 69 2HD PHE 69 2.099 0.423 -6.580
564 HE1 PHE 69 1HE PHE 69 1.658 2.906 -2.355
565 HE2 PHE 69 2HE PHE 69 2.189 -0.778 -4.433
566 HZ PHE 69 HZ PHE 69 1.968 0.463 -2.318
567 H ASP 70 H ASP 70 1.701 6.009 -8.016
568 HA ASP 70 HA ASP 70 2.494 7.632 -5.691
569 1HB ASP 70 2HB ASP 70 1.604 8.412 -8.474
570 2HB ASP 70 1HB ASP 70 1.733 9.570 -7.153
571 H PHE 71 H PHE 71 0.941 8.376 -4.300
572 HA PHE 71 HA PHE 71 -1.847 8.326 -5.112
573 1HB PHE 71 2HB PHE 71 -2.572 6.598 -3.821
574 2HB PHE 71 1HB PHE 71 -0.928 6.029 -4.087
575 HD1 PHE 71 1HD PHE 71 0.819 6.564 -2.310
576 HD2 PHE 71 2HD PHE 71 -3.370 6.984 -1.669
577 HE1 PHE 71 1HE PHE 71 1.189 6.521 0.121
578 HE2 PHE 71 2HE PHE 71 -3.005 6.946 0.763
579 HZ PHE 71 HZ PHE 71 -0.723 6.712 1.661
580 H THR 72 H THR 72 -3.273 9.396 -3.685
581 HA THR 72 HA THR 72 -2.173 10.773 -1.378
582 HB THR 72 HB THR 72 -3.662 12.735 -2.835
583 HG1 THR 72 1HG THR 72 -2.620 11.283 -4.579
584 1HG2 THR 72 1HG2 THR 72 -1.859 14.115 -2.303
585 2HG2 THR 72 2HG2 THR 72 -0.701 12.784 -2.363
586 3HG2 THR 72 3HG2 THR 72 -1.838 12.905 -1.019
587 H THR 73 H THR 73 -3.936 12.023 -0.229
588 HA THR 73 HA THR 73 -6.030 10.416 0.496
589 HB THR 73 HB THR 73 -5.620 12.212 1.932
590 HG1 THR 73 1HG THR 73 -7.876 13.399 0.818
591 1HG2 THR 73 1HG2 THR 73 -5.105 14.332 1.334
592 2HG2 THR 73 2HG2 THR 73 -6.352 14.397 0.089
593 3HG2 THR 73 3HG2 THR 73 -4.818 13.594 -0.241
594 H THR 74 H THR 74 -6.123 13.023 -1.927
595 HA THR 74 HA THR 74 -8.069 11.668 -3.496
596 HB THR 74 HB THR 74 -9.629 12.403 -1.804
597 HG1 THR 74 1HG THR 74 -10.940 12.856 -3.391
598 1HG2 THR 74 1HG2 THR 74 -8.145 14.956 -2.053
599 2HG2 THR 74 2HG2 THR 74 -8.861 14.195 -0.633
600 3HG2 THR 74 3HG2 THR 74 -9.883 15.067 -1.776
601 H SER 75 H SER 75 -5.637 12.597 -4.198
602 HA SER 75 HA SER 75 -6.318 14.695 -6.116
603 1HB SER 75 2HB SER 75 -5.222 15.787 -4.149
604 2HB SER 75 1HB SER 75 -3.794 14.796 -4.447
605 HG SER 75 HG SER 75 -3.789 15.760 -6.596
606 H THR 76 H THR 76 -4.423 11.976 -5.140
607 HA THR 76 HA THR 76 -3.033 10.547 -6.227
608 HB THR 76 HB THR 76 -4.169 11.264 -8.883
609 HG1 THR 76 1HG THR 76 -5.684 9.952 -6.853
610 1HG2 THR 76 1HG2 THR 76 -4.220 8.537 -7.714
611 2HG2 THR 76 2HG2 THR 76 -2.639 9.236 -8.060
612 3HG2 THR 76 3HG2 THR 76 -3.826 9.060 -9.352
613 H SER 77 H SER 77 -3.195 12.300 -9.223
614 HA SER 77 HA SER 77 -0.833 13.861 -8.740
615 1HB SER 77 2HB SER 77 -0.456 11.201 -9.564
616 2HB SER 77 1HB SER 77 -0.198 12.183 -11.005
617 HG SER 77 HG SER 77 1.141 12.321 -8.520
618 H THR 78 H THR 78 -1.452 12.468 -11.881
619 HA THR 78 HA THR 78 -3.226 14.536 -12.757
620 HB THR 78 HB THR 78 -0.851 14.756 -14.427
621 HG1 THR 78 1HG THR 78 0.564 15.355 -12.965
622 1HG2 THR 78 1HG2 THR 78 -3.021 16.193 -14.224
623 2HG2 THR 78 2HG2 THR 78 -1.479 16.978 -14.557
624 3HG2 THR 78 3HG2 THR 78 -2.142 16.995 -12.923
625 HA PRO 79 HA PRO 79 -2.005 11.667 -16.501
626 1HB PRO 79 2HB PRO 79 -0.565 9.434 -15.820
627 2HB PRO 79 1HB PRO 79 0.152 10.917 -16.458
628 1HG PRO 79 2HG PRO 79 -0.055 9.974 -13.628
629 2HG PRO 79 1HG PRO 79 1.305 10.762 -14.451
630 1HD PRO 79 2HD PRO 79 -0.333 12.111 -12.797
631 2HD PRO 79 1HD PRO 79 0.377 12.869 -14.235
632 H GLY 80 H GLY 80 -3.686 10.433 -17.053
633 1HA GLY 80 2HA GLY 80 -5.192 9.078 -14.978
634 2HA GLY 80 1HA GLY 80 -5.680 9.296 -16.652
635 H SER 81 H SER 81 -3.092 8.205 -17.624
636 HA SER 81 HA SER 81 -3.048 5.469 -16.695
637 1HB SER 81 2HB SER 81 -4.797 6.140 -18.795
638 2HB SER 81 1HB SER 81 -3.416 5.349 -19.556
639 HG SER 81 HG SER 81 -3.789 3.543 -18.382
640 H ARG 82 H ARG 82 -1.177 4.401 -17.229
641 HA ARG 82 HA ARG 82 0.805 5.974 -18.737
642 1HB ARG 82 2HB ARG 82 2.441 4.458 -17.381
643 2HB ARG 82 1HB ARG 82 1.699 5.851 -16.604
644 1HG ARG 82 2HG ARG 82 0.202 4.518 -15.390
645 2HG ARG 82 1HG ARG 82 0.499 3.109 -16.410
646 1HD ARG 82 2HD ARG 82 1.588 3.278 -14.040
647 2HD ARG 82 1HD ARG 82 2.508 2.632 -15.398
648 HE ARG 82 HE ARG 82 2.756 5.470 -14.698
649 1HH1 ARG 82 1HH1 ARG 82 4.156 2.290 -14.975
650 2HH1 ARG 82 2HH1 ARG 82 5.785 2.851 -14.792
651 1HH2 ARG 82 1HH2 ARG 82 4.897 6.217 -14.460
652 2HH2 ARG 82 2HH2 ARG 82 6.206 5.083 -14.500
653 H SER 83 H SER 83 -0.705 4.610 -20.374
654 HA SER 83 HA SER 83 -0.777 3.018 -21.995
655 1HB SER 83 2HB SER 83 2.034 2.170 -21.601
656 2HB SER 83 1HB SER 83 1.203 2.680 -23.070
657 HG SER 83 HG SER 83 1.708 4.715 -22.673
658 H HIS 84 H HIS 84 -2.060 1.935 -20.176
659 HA HIS 84 HA HIS 84 -0.789 -0.437 -19.075
660 1HB HIS 84 2HB HIS 84 -2.921 1.242 -18.284
661 2HB HIS 84 1HB HIS 84 -3.623 -0.340 -18.598
662 HD2 HIS 84 2HD HIS 84 -0.058 -0.113 -17.054
663 HE1 HIS 84 1HE HIS 84 -2.777 -1.433 -14.091
664 HE2 HIS 84 2HE HIS 84 -0.330 -1.213 -14.720
665 H HIS 85 H HIS 85 -0.808 -0.566 -21.801
666 HA HIS 85 HA HIS 85 -1.309 -1.946 -23.531
667 1HB HIS 85 2HB HIS 85 -2.431 -3.524 -21.231
668 2HB HIS 85 1HB HIS 85 -2.591 -4.100 -22.887
669 HD2 HIS 85 2HD HIS 85 0.471 -3.319 -23.865
670 HE1 HIS 85 1HE HIS 85 1.555 -5.945 -20.727
671 HE2 HIS 85 2HE HIS 85 2.291 -4.910 -22.922
672 H HIS 86 H HIS 86 -2.636 -1.161 -25.012
673 HA HIS 86 HA HIS 86 -5.186 -0.098 -24.510
674 1HB HIS 86 2HB HIS 86 -3.424 -0.175 -26.668
675 2HB HIS 86 1HB HIS 86 -4.861 -1.011 -27.249
676 HD2 HIS 86 2HD HIS 86 -4.328 2.391 -25.291
677 HE1 HIS 86 1HE HIS 86 -7.185 2.882 -28.373
678 HE2 HIS 86 2HE HIS 86 -5.787 4.071 -26.624
679 H HIS 87 H HIS 87 -4.151 -3.329 -24.962
680 HA HIS 87 HA HIS 87 -6.937 -4.199 -25.358
681 1HB HIS 87 2HB HIS 87 -4.368 -5.626 -26.072
682 2HB HIS 87 1HB HIS 87 -5.978 -6.319 -26.235
683 HD2 HIS 87 2HD HIS 87 -4.232 -6.005 -28.906
684 HE1 HIS 87 1HE HIS 87 -6.718 -2.666 -29.668
685 HE2 HIS 87 2HE HIS 87 -5.259 -4.457 -30.715
686 H HIS 88 H HIS 88 -7.818 -5.698 -23.988
687 HA HIS 88 HA HIS 88 -6.136 -6.778 -21.847
688 1HB HIS 88 2HB HIS 88 -7.765 -4.587 -21.426
689 2HB HIS 88 1HB HIS 88 -8.767 -5.931 -20.891
690 HD2 HIS 88 2HD HIS 88 -4.936 -5.170 -20.242
691 HE1 HIS 88 1HE HIS 88 -6.916 -6.035 -16.603
692 HE2 HIS 88 2HE HIS 88 -4.669 -5.604 -17.698
693 H HIS 89 H HIS 89 -6.331 -8.900 -22.139
694 HA HIS 89 HA HIS 89 -9.038 -10.027 -22.316
695 1HB HIS 89 2HB HIS 89 -7.824 -10.008 -24.552
696 2HB HIS 89 1HB HIS 89 -6.697 -11.161 -23.846
697 HD2 HIS 89 2HD HIS 89 -7.836 -12.768 -26.018
698 HE1 HIS 89 1HE HIS 89 -11.205 -13.723 -23.640
699 HE2 HIS 89 2HE HIS 89 -9.787 -14.431 -25.619
Start of MODEL 24
1 1H MET 1 1HT MET 1 -24.966 -2.711 -6.777
2 2H MET 1 2HT MET 1 -24.274 -1.168 -6.793
3 3H MET 1 3HT MET 1 -25.759 -1.422 -6.023
4 HA MET 1 HA MET 1 -24.150 -1.268 -4.325
5 1HB MET 1 2HB MET 1 -24.486 -4.231 -4.660
6 2HB MET 1 1HB MET 1 -24.609 -3.261 -3.198
7 1HG MET 1 2HG MET 1 -26.626 -2.329 -4.896
8 2HG MET 1 1HG MET 1 -26.662 -4.087 -5.024
9 1HE MET 1 1HE MET 1 -29.587 -3.427 -2.576
10 2HE MET 1 2HE MET 1 -29.101 -3.694 -4.250
11 3HE MET 1 3HE MET 1 -29.082 -2.065 -3.576
12 H ARG 2 H ARG 2 -22.461 -3.169 -3.334
13 HA ARG 2 HA ARG 2 -20.371 -3.545 -5.356
14 1HB ARG 2 2HB ARG 2 -20.289 -1.706 -3.102
15 2HB ARG 2 1HB ARG 2 -18.967 -2.865 -3.055
16 1HG ARG 2 2HG ARG 2 -17.945 -1.345 -4.351
17 2HG ARG 2 1HG ARG 2 -18.853 -2.136 -5.641
18 1HD ARG 2 2HD ARG 2 -18.976 0.382 -5.602
19 2HD ARG 2 1HD ARG 2 -20.525 -0.461 -5.618
20 HE ARG 2 HE ARG 2 -20.160 -0.074 -3.002
21 1HH1 ARG 2 1HH1 ARG 2 -19.798 2.101 -5.702
22 2HH1 ARG 2 2HH1 ARG 2 -20.230 3.509 -4.790
23 1HH2 ARG 2 1HH2 ARG 2 -20.733 1.774 -1.797
24 2HH2 ARG 2 2HH2 ARG 2 -20.762 3.323 -2.572
25 H GLY 3 H GLY 3 -19.482 -5.508 -5.269
26 1HA GLY 3 2HA GLY 3 -18.808 -6.921 -2.951
27 2HA GLY 3 1HA GLY 3 -20.398 -7.470 -3.461
28 H SER 4 H SER 4 -17.052 -7.761 -3.906
29 HA SER 4 HA SER 4 -17.458 -9.850 -5.873
30 1HB SER 4 2HB SER 4 -17.143 -8.099 -7.431
31 2HB SER 4 1HB SER 4 -15.879 -7.348 -6.457
32 HG SER 4 HG SER 4 -14.532 -8.483 -7.582
33 H ASN 5 H ASN 5 -16.041 -11.485 -5.618
34 HA ASN 5 HA ASN 5 -13.862 -11.065 -3.684
35 1HB ASN 5 2HB ASN 5 -14.060 -13.690 -3.597
36 2HB ASN 5 1HB ASN 5 -15.176 -12.676 -2.686
37 1HD2 ASN 5 1HD2 ASN 5 -14.813 -14.962 -5.200
38 2HD2 ASN 5 2HD2 ASN 5 -16.481 -15.091 -5.631
39 H ALA 6 H ALA 6 -12.021 -12.677 -3.972
40 HA ALA 6 HA ALA 6 -11.477 -13.352 -6.756
41 1HB ALA 6 1HB ALA 6 -10.408 -11.363 -6.969
42 2HB ALA 6 2HB ALA 6 -9.094 -12.273 -6.222
43 3HB ALA 6 3HB ALA 6 -10.104 -11.214 -5.238
44 HA PRO 7 HA PRO 7 -9.998 -16.990 -4.627
45 1HB PRO 7 2HB PRO 7 -8.617 -17.444 -7.217
46 2HB PRO 7 1HB PRO 7 -9.700 -18.510 -6.316
47 1HG PRO 7 2HG PRO 7 -10.537 -17.273 -8.520
48 2HG PRO 7 1HG PRO 7 -11.610 -17.466 -7.120
49 1HD PRO 7 2HD PRO 7 -10.108 -15.048 -8.041
50 2HD PRO 7 1HD PRO 7 -11.746 -15.169 -7.361
51 H GLN 8 H GLN 8 -8.246 -17.342 -3.411
52 HA GLN 8 HA GLN 8 -5.668 -16.221 -4.269
53 1HB GLN 8 2HB GLN 8 -6.632 -16.111 -1.413
54 2HB GLN 8 1HB GLN 8 -5.211 -15.337 -2.099
55 1HG GLN 8 2HG GLN 8 -7.433 -14.400 -3.555
56 2HG GLN 8 1HG GLN 8 -7.865 -14.331 -1.846
57 1HE2 GLN 8 1HE2 GLN 8 -7.307 -12.194 -3.789
58 2HE2 GLN 8 2HE2 GLN 8 -6.043 -11.247 -3.089
59 HA PRO 9 HA PRO 9 -4.897 -20.594 -3.281
60 1HB PRO 9 2HB PRO 9 -2.566 -20.754 -4.662
61 2HB PRO 9 1HB PRO 9 -4.150 -20.878 -5.437
62 1HG PRO 9 2HG PRO 9 -2.318 -18.515 -5.235
63 2HG PRO 9 1HG PRO 9 -3.236 -19.101 -6.636
64 1HD PRO 9 2HD PRO 9 -4.077 -17.024 -5.125
65 2HD PRO 9 1HD PRO 9 -5.208 -18.151 -5.899
66 H SER 10 H SER 10 -2.308 -18.137 -3.330
67 HA SER 10 HA SER 10 -1.464 -19.091 -0.682
68 1HB SER 10 2HB SER 10 0.300 -18.589 -3.083
69 2HB SER 10 1HB SER 10 0.927 -18.645 -1.436
70 HG SER 10 HG SER 10 0.853 -20.732 -1.543
71 H HIS 11 H HIS 11 0.253 -17.447 0.210
72 HA HIS 11 HA HIS 11 -0.226 -14.712 -0.603
73 1HB HIS 11 2HB HIS 11 -0.845 -14.143 1.849
74 2HB HIS 11 1HB HIS 11 -2.095 -14.783 0.788
75 HD2 HIS 11 2HD HIS 11 0.126 -15.963 3.793
76 HE1 HIS 11 1HE HIS 11 -3.157 -18.591 3.319
77 HE2 HIS 11 2HE HIS 11 -1.273 -17.872 4.855
78 H ILE 12 H ILE 12 1.276 -13.249 0.207
79 HA ILE 12 HA ILE 12 3.814 -14.346 0.885
80 HB ILE 12 HB ILE 12 3.781 -12.361 -0.440
81 1HG1 ILE 12 2HG1 ILE 12 4.696 -10.846 1.833
82 2HG1 ILE 12 1HG1 ILE 12 5.207 -12.524 1.995
83 1HG2 ILE 12 1HG2 ILE 12 2.455 -10.576 -0.125
84 2HG2 ILE 12 2HG2 ILE 12 2.730 -10.548 1.617
85 3HG2 ILE 12 3HG2 ILE 12 1.554 -11.668 0.928
86 1HD1 ILE 12 1HD1 ILE 12 6.796 -12.247 0.486
87 2HD1 ILE 12 2HD1 ILE 12 6.418 -10.525 0.494
88 3HD1 ILE 12 3HD1 ILE 12 5.650 -11.591 -0.682
89 H SER 13 H SER 13 5.061 -13.914 2.789
90 HA SER 13 HA SER 13 3.815 -14.466 5.195
91 1HB SER 13 2HB SER 13 6.459 -13.102 4.643
92 2HB SER 13 1HB SER 13 5.946 -13.606 6.252
93 HG SER 13 HG SER 13 5.604 -15.655 4.600
94 H LYS 14 H LYS 14 4.670 -11.330 3.783
95 HA LYS 14 HA LYS 14 2.563 -9.994 5.109
96 1HB LYS 14 2HB LYS 14 3.700 -8.673 6.720
97 2HB LYS 14 1HB LYS 14 4.178 -10.338 7.014
98 1HG LYS 14 2HG LYS 14 6.135 -9.536 5.324
99 2HG LYS 14 1HG LYS 14 5.781 -8.032 6.177
100 1HD LYS 14 2HD LYS 14 5.841 -9.774 8.245
101 2HD LYS 14 1HD LYS 14 7.009 -10.526 7.155
102 1HE LYS 14 2HE LYS 14 8.218 -8.393 7.007
103 2HE LYS 14 1HE LYS 14 7.065 -7.670 8.128
104 1HZ LYS 14 1HZ LYS 14 7.796 -9.665 9.619
105 2HZ LYS 14 2HZ LYS 14 8.744 -8.266 9.538
106 3HZ LYS 14 3HZ LYS 14 9.181 -9.635 8.646
107 H TYR 15 H TYR 15 2.289 -7.865 4.436
108 HA TYR 15 HA TYR 15 3.970 -7.044 2.163
109 1HB TYR 15 2HB TYR 15 1.109 -7.124 2.606
110 2HB TYR 15 1HB TYR 15 1.618 -5.483 2.236
111 HD1 TYR 15 1HD TYR 15 0.263 -8.235 0.791
112 HD2 TYR 15 2HD TYR 15 3.534 -5.581 0.201
113 HE1 TYR 15 1HE TYR 15 0.258 -8.771 -1.609
114 HE2 TYR 15 2HE TYR 15 3.540 -6.110 -2.199
115 HH TYR 15 HH TYR 15 0.994 -7.828 -3.709
116 H ILE 16 H ILE 16 5.042 -5.098 2.255
117 HA ILE 16 HA ILE 16 4.557 -3.445 4.649
118 HB ILE 16 HB ILE 16 7.088 -4.168 3.233
119 1HG1 ILE 16 2HG1 ILE 16 6.199 -5.204 5.408
120 2HG1 ILE 16 1HG1 ILE 16 7.874 -4.660 5.400
121 1HG2 ILE 16 1HG2 ILE 16 6.452 -1.499 4.353
122 2HG2 ILE 16 2HG2 ILE 16 7.584 -1.957 3.080
123 3HG2 ILE 16 3HG2 ILE 16 8.020 -2.189 4.772
124 1HD1 ILE 16 1HD1 ILE 16 5.961 -2.636 6.292
125 2HD1 ILE 16 2HD1 ILE 16 7.504 -3.132 6.988
126 3HD1 ILE 16 3HD1 ILE 16 6.046 -4.069 7.317
127 H LEU 17 H LEU 17 3.680 -1.539 4.276
128 HA LEU 17 HA LEU 17 3.931 -0.352 1.603
129 1HB LEU 17 2HB LEU 17 1.705 -0.798 3.148
130 2HB LEU 17 1HB LEU 17 2.067 0.881 3.502
131 HG LEU 17 HG LEU 17 2.089 0.192 0.639
132 1HD1 LEU 17 1HD1 LEU 17 -0.087 -0.349 0.342
133 2HD1 LEU 17 2HD1 LEU 17 -0.621 0.555 1.758
134 3HD1 LEU 17 3HD1 LEU 17 0.112 -1.037 1.953
135 1HD2 LEU 17 1HD2 LEU 17 0.822 2.316 0.536
136 2HD2 LEU 17 2HD2 LEU 17 2.368 2.472 1.370
137 3HD2 LEU 17 3HD2 LEU 17 0.870 2.396 2.298
138 H ARG 18 H ARG 18 5.446 1.148 1.431
139 HA ARG 18 HA ARG 18 5.988 2.877 3.750
140 1HB ARG 18 2HB ARG 18 7.883 2.131 1.517
141 2HB ARG 18 1HB ARG 18 8.266 3.131 2.911
142 1HG ARG 18 2HG ARG 18 8.485 1.360 4.295
143 2HG ARG 18 1HG ARG 18 7.220 0.433 3.485
144 1HD ARG 18 2HD ARG 18 8.860 -0.774 2.580
145 2HD ARG 18 1HD ARG 18 9.202 0.633 1.575
146 HE ARG 18 HE ARG 18 10.778 1.291 3.431
147 1HH1 ARG 18 1HH1 ARG 18 9.952 -2.032 2.781
148 2HH1 ARG 18 2HH1 ARG 18 11.438 -2.659 3.412
149 1HH2 ARG 18 1HH2 ARG 18 12.740 0.472 4.260
150 2HH2 ARG 18 2HH2 ARG 18 13.022 -1.237 4.252
151 H TRP 19 H TRP 19 5.670 5.007 3.503
152 HA TRP 19 HA TRP 19 5.864 6.229 0.896
153 1HB TRP 19 2HB TRP 19 3.628 7.047 0.747
154 2HB TRP 19 1HB TRP 19 3.529 5.311 1.013
155 HD1 TRP 19 HD TRP 19 2.436 8.595 2.453
156 HE1 TRP 19 1HE TRP 19 1.040 8.190 4.577
157 HE3 TRP 19 3HE TRP 19 3.382 3.615 3.110
158 HZ2 TRP 19 2HZ TRP 19 0.421 6.043 6.303
159 HZ3 TRP 19 3HZ TRP 19 2.349 2.459 5.021
160 HH2 TRP 19 HH TRP 19 0.899 3.649 6.583
161 H ARG 20 H ARG 20 5.695 8.537 0.946
162 HA ARG 20 HA ARG 20 5.639 9.941 3.450
163 1HB ARG 20 2HB ARG 20 7.848 10.376 3.774
164 2HB ARG 20 1HB ARG 20 8.056 8.862 2.908
165 1HG ARG 20 2HG ARG 20 7.902 10.804 0.919
166 2HG ARG 20 1HG ARG 20 8.892 11.524 2.190
167 1HD ARG 20 2HD ARG 20 10.621 10.244 1.635
168 2HD ARG 20 1HD ARG 20 9.643 8.784 1.793
169 HE ARG 20 HE ARG 20 8.924 9.234 -0.554
170 1HH1 ARG 20 1HH1 ARG 20 11.945 10.488 0.649
171 2HH1 ARG 20 2HH1 ARG 20 12.684 10.562 -0.915
172 1HH2 ARG 20 1HH2 ARG 20 9.886 9.329 -2.614
173 2HH2 ARG 20 2HH2 ARG 20 11.513 9.902 -2.771
174 HA PRO 21 HA PRO 21 4.362 13.331 0.922
175 1HB PRO 21 2HB PRO 21 6.485 15.054 2.081
176 2HB PRO 21 1HB PRO 21 4.735 15.295 2.047
177 1HG PRO 21 2HG PRO 21 5.975 14.594 4.301
178 2HG PRO 21 1HG PRO 21 4.379 13.936 3.891
179 1HD PRO 21 2HD PRO 21 7.070 12.647 3.694
180 2HD PRO 21 1HD PRO 21 5.515 11.943 4.182
181 H LYS 22 H LYS 22 4.827 13.170 -1.183
182 HA LYS 22 HA LYS 22 7.251 12.651 -2.371
183 1HB LYS 22 2HB LYS 22 4.814 12.780 -3.338
184 2HB LYS 22 1HB LYS 22 5.288 14.413 -3.786
185 1HG LYS 22 2HG LYS 22 7.199 13.494 -5.032
186 2HG LYS 22 1HG LYS 22 6.658 11.866 -4.622
187 1HD LYS 22 2HD LYS 22 5.398 11.905 -6.456
188 2HD LYS 22 1HD LYS 22 4.409 13.144 -5.678
189 1HE LYS 22 2HE LYS 22 5.850 14.882 -6.611
190 2HE LYS 22 1HE LYS 22 6.853 13.650 -7.376
191 1HZ LYS 22 1HZ LYS 22 4.769 14.882 -8.547
192 2HZ LYS 22 2HZ LYS 22 4.044 13.452 -8.006
193 3HZ LYS 22 3HZ LYS 22 5.391 13.383 -9.027
194 H ASN 23 H ASN 23 5.975 15.732 -1.308
195 HA ASN 23 HA ASN 23 7.839 17.360 -2.712
196 1HB ASN 23 2HB ASN 23 5.678 18.201 -1.812
197 2HB ASN 23 1HB ASN 23 6.312 18.006 -0.180
198 1HD2 ASN 23 1HD2 ASN 23 7.847 19.224 -3.125
199 2HD2 ASN 23 2HD2 ASN 23 8.227 20.786 -2.491
200 H SER 24 H SER 24 7.799 15.847 0.464
201 HA SER 24 HA SER 24 10.349 17.053 1.180
202 1HB SER 24 2HB SER 24 8.136 16.081 2.635
203 2HB SER 24 1HB SER 24 9.491 15.023 3.027
204 HG SER 24 HG SER 24 9.022 17.393 4.007
205 H VAL 25 H VAL 25 11.752 15.238 2.484
206 HA VAL 25 HA VAL 25 12.111 12.968 0.643
207 HB VAL 25 HB VAL 25 14.563 13.190 0.900
208 1HG1 VAL 25 1HG1 VAL 25 12.819 14.792 -0.664
209 2HG1 VAL 25 2HG1 VAL 25 14.448 14.238 -1.051
210 3HG1 VAL 25 3HG1 VAL 25 14.214 15.775 -0.218
211 1HG2 VAL 25 1HG2 VAL 25 14.262 14.589 3.056
212 2HG2 VAL 25 2HG2 VAL 25 14.136 15.961 1.955
213 3HG2 VAL 25 3HG2 VAL 25 15.597 14.973 1.970
214 H GLY 26 H GLY 26 11.094 13.574 3.546
215 1HA GLY 26 2HA GLY 26 12.380 11.193 4.685
216 2HA GLY 26 1HA GLY 26 12.361 12.672 5.634
217 H ARG 27 H ARG 27 11.211 11.397 7.221
218 HA ARG 27 HA ARG 27 9.345 10.750 8.340
219 1HB ARG 27 2HB ARG 27 7.818 12.418 6.341
220 2HB ARG 27 1HB ARG 27 7.332 12.003 7.979
221 1HG ARG 27 2HG ARG 27 8.430 13.730 8.845
222 2HG ARG 27 1HG ARG 27 9.883 13.380 7.906
223 1HD ARG 27 2HD ARG 27 9.148 14.640 6.079
224 2HD ARG 27 1HD ARG 27 7.476 14.638 6.638
225 HE ARG 27 HE ARG 27 7.943 16.493 7.882
226 1HH1 ARG 27 1HH1 ARG 27 10.945 14.913 7.078
227 2HH1 ARG 27 2HH1 ARG 27 11.933 16.173 7.737
228 1HH2 ARG 27 1HH2 ARG 27 9.238 18.157 8.747
229 2HH2 ARG 27 2HH2 ARG 27 10.963 18.017 8.686
230 H TRP 28 H TRP 28 9.879 8.620 7.298
231 HA TRP 28 HA TRP 28 8.113 7.754 5.171
232 1HB TRP 28 2HB TRP 28 10.361 6.515 6.713
233 2HB TRP 28 1HB TRP 28 9.234 5.466 5.860
234 HD1 TRP 28 HD TRP 28 12.287 7.520 5.334
235 HE1 TRP 28 1HE TRP 28 12.909 7.561 2.839
236 HE3 TRP 28 3HE TRP 28 7.986 5.551 3.389
237 HZ2 TRP 28 2HZ TRP 28 11.735 6.854 0.371
238 HZ3 TRP 28 3HZ TRP 28 7.817 5.269 0.950
239 HH2 TRP 28 HH TRP 28 9.653 5.908 -0.526
240 H LYS 29 H LYS 29 6.790 5.772 5.436
241 HA LYS 29 HA LYS 29 5.823 5.305 8.157
242 1HB LYS 29 2HB LYS 29 4.081 6.123 5.826
243 2HB LYS 29 1HB LYS 29 3.454 5.410 7.307
244 1HG LYS 29 2HG LYS 29 4.279 7.285 8.596
245 2HG LYS 29 1HG LYS 29 5.005 7.987 7.149
246 1HD LYS 29 2HD LYS 29 3.013 8.717 6.339
247 2HD LYS 29 1HD LYS 29 2.119 7.351 7.010
248 1HE LYS 29 2HE LYS 29 1.339 9.021 8.356
249 2HE LYS 29 1HE LYS 29 2.743 8.514 9.295
250 1HZ LYS 29 1HZ LYS 29 3.866 10.338 7.750
251 2HZ LYS 29 2HZ LYS 29 3.153 10.719 9.235
252 3HZ LYS 29 3HZ LYS 29 2.297 10.972 7.798
253 H GLU 30 H GLU 30 5.364 3.190 8.527
254 HA GLU 30 HA GLU 30 5.308 1.425 6.167
255 1HB GLU 30 2HB GLU 30 6.223 -0.287 7.949
256 2HB GLU 30 1HB GLU 30 7.306 0.805 7.099
257 1HG GLU 30 2HG GLU 30 7.507 2.224 8.964
258 2HG GLU 30 1HG GLU 30 6.138 1.473 9.781
259 H ALA 31 H ALA 31 3.712 0.021 5.970
260 HA ALA 31 HA ALA 31 1.985 -0.542 8.283
261 1HB ALA 31 1HB ALA 31 0.210 -0.605 6.218
262 2HB ALA 31 2HB ALA 31 1.253 0.735 5.742
263 3HB ALA 31 3HB ALA 31 0.436 0.765 7.305
264 H THR 32 H THR 32 2.209 -2.661 8.643
265 HA THR 32 HA THR 32 2.832 -4.441 6.433
266 HB THR 32 HB THR 32 2.675 -5.039 9.389
267 HG1 THR 32 1HG THR 32 4.701 -4.423 9.433
268 1HG2 THR 32 1HG2 THR 32 2.444 -7.150 8.548
269 2HG2 THR 32 2HG2 THR 32 4.194 -7.007 8.378
270 3HG2 THR 32 3HG2 THR 32 3.146 -6.721 6.988
271 H ILE 33 H ILE 33 1.530 -5.866 5.551
272 HA ILE 33 HA ILE 33 -0.962 -6.609 6.896
273 HB ILE 33 HB ILE 33 -1.069 -6.193 3.944
274 1HG1 ILE 33 2HG1 ILE 33 -2.046 -3.858 5.367
275 2HG1 ILE 33 1HG1 ILE 33 -0.316 -4.078 5.610
276 1HG2 ILE 33 1HG2 ILE 33 -3.426 -5.361 4.908
277 2HG2 ILE 33 2HG2 ILE 33 -2.933 -6.434 6.218
278 3HG2 ILE 33 3HG2 ILE 33 -3.060 -7.054 4.573
279 1HD1 ILE 33 1HD1 ILE 33 -1.624 -4.053 2.907
280 2HD1 ILE 33 2HD1 ILE 33 0.099 -3.986 3.274
281 3HD1 ILE 33 3HD1 ILE 33 -0.944 -2.624 3.686
282 HA PRO 34 HA PRO 34 1.166 -10.431 5.693
283 1HB PRO 34 2HB PRO 34 -1.149 -11.578 7.141
284 2HB PRO 34 1HB PRO 34 0.573 -11.884 7.363
285 1HG PRO 34 2HG PRO 34 -0.788 -10.431 9.130
286 2HG PRO 34 1HG PRO 34 0.869 -9.989 8.673
287 1HD PRO 34 2HD PRO 34 -1.728 -8.793 7.778
288 2HD PRO 34 1HD PRO 34 -0.201 -7.986 8.201
289 H GLY 35 H GLY 35 0.829 -10.674 3.532
290 1HA GLY 35 2HA GLY 35 -0.148 -11.467 1.610
291 2HA GLY 35 1HA GLY 35 -1.266 -12.347 2.641
292 H HIS 36 H HIS 36 -3.279 -11.493 3.090
293 HA HIS 36 HA HIS 36 -4.056 -8.847 2.467
294 1HB HIS 36 2HB HIS 36 -3.813 -10.304 0.189
295 2HB HIS 36 1HB HIS 36 -5.490 -10.637 0.606
296 HD2 HIS 36 2HD HIS 36 -5.180 -7.219 1.808
297 HE1 HIS 36 1HE HIS 36 -5.890 -6.795 -2.342
298 HE2 HIS 36 2HE HIS 36 -6.020 -5.655 -0.082
299 H LEU 37 H LEU 37 -5.388 -8.593 4.135
300 HA LEU 37 HA LEU 37 -7.036 -10.761 5.104
301 1HB LEU 37 2HB LEU 37 -6.723 -7.889 5.971
302 2HB LEU 37 1HB LEU 37 -7.804 -9.022 6.756
303 HG LEU 37 HG LEU 37 -5.747 -10.468 7.184
304 1HD1 LEU 37 1HD1 LEU 37 -4.492 -8.759 5.500
305 2HD1 LEU 37 2HD1 LEU 37 -3.671 -9.753 6.704
306 3HD1 LEU 37 3HD1 LEU 37 -4.056 -8.070 7.064
307 1HD2 LEU 37 1HD2 LEU 37 -6.452 -7.886 8.459
308 2HD2 LEU 37 2HD2 LEU 37 -4.966 -8.681 8.983
309 3HD2 LEU 37 3HD2 LEU 37 -6.510 -9.525 9.109
310 H ASN 38 H ASN 38 -7.436 -7.787 3.307
311 HA ASN 38 HA ASN 38 -9.833 -8.552 2.084
312 1HB ASN 38 2HB ASN 38 -11.241 -6.670 3.257
313 2HB ASN 38 1HB ASN 38 -11.112 -8.259 4.002
314 1HD2 ASN 38 1HD2 ASN 38 -10.198 -4.920 4.202
315 2HD2 ASN 38 2HD2 ASN 38 -9.536 -4.983 5.795
316 H SER 39 H SER 39 -10.163 -5.313 2.977
317 HA SER 39 HA SER 39 -8.580 -4.430 0.660
318 1HB SER 39 2HB SER 39 -11.251 -3.348 1.602
319 2HB SER 39 1HB SER 39 -10.294 -2.686 0.276
320 HG SER 39 HG SER 39 -11.998 -4.172 -0.352
321 H TYR 40 H TYR 40 -6.833 -3.509 1.546
322 HA TYR 40 HA TYR 40 -7.161 -1.816 3.914
323 1HB TYR 40 2HB TYR 40 -5.392 -3.718 3.669
324 2HB TYR 40 1HB TYR 40 -4.505 -2.535 2.715
325 HD1 TYR 40 1HD TYR 40 -3.993 -0.273 3.821
326 HD2 TYR 40 2HD TYR 40 -5.248 -3.704 6.001
327 HE1 TYR 40 1HE TYR 40 -3.083 0.713 5.882
328 HE2 TYR 40 2HE TYR 40 -4.342 -2.728 8.069
329 HH TYR 40 HH TYR 40 -3.462 -0.899 9.014
330 H THR 41 H THR 41 -7.606 0.226 3.448
331 HA THR 41 HA THR 41 -6.089 1.526 1.278
332 HB THR 41 HB THR 41 -8.773 2.521 2.187
333 HG1 THR 41 1HG THR 41 -8.685 0.971 -0.118
334 1HG2 THR 41 1HG2 THR 41 -8.833 3.513 -0.027
335 2HG2 THR 41 2HG2 THR 41 -7.322 2.711 -0.456
336 3HG2 THR 41 3HG2 THR 41 -7.334 3.964 0.784
337 H ILE 42 H ILE 42 -4.946 3.295 1.783
338 HA ILE 42 HA ILE 42 -5.080 4.253 4.548
339 HB ILE 42 HB ILE 42 -2.969 4.597 2.420
340 1HG1 ILE 42 2HG1 ILE 42 -2.431 3.402 5.087
341 2HG1 ILE 42 1HG1 ILE 42 -3.393 2.445 3.964
342 1HG2 ILE 42 1HG2 ILE 42 -1.990 5.430 4.926
343 2HG2 ILE 42 2HG2 ILE 42 -3.530 6.255 4.681
344 3HG2 ILE 42 3HG2 ILE 42 -2.247 6.408 3.480
345 1HD1 ILE 42 1HD1 ILE 42 -1.597 1.874 2.806
346 2HD1 ILE 42 2HD1 ILE 42 -0.631 2.603 4.088
347 3HD1 ILE 42 3HD1 ILE 42 -1.070 3.551 2.668
348 H LYS 43 H LYS 43 -5.896 6.180 5.049
349 HA LYS 43 HA LYS 43 -6.196 8.184 2.916
350 1HB LYS 43 2HB LYS 43 -8.261 6.865 4.429
351 2HB LYS 43 1HB LYS 43 -8.280 8.590 4.771
352 1HG LYS 43 2HG LYS 43 -9.533 8.760 2.940
353 2HG LYS 43 1HG LYS 43 -8.026 8.540 2.047
354 1HD LYS 43 2HD LYS 43 -8.475 6.044 2.200
355 2HD LYS 43 1HD LYS 43 -10.098 6.473 2.746
356 1HE LYS 43 2HE LYS 43 -10.020 6.032 0.331
357 2HE LYS 43 1HE LYS 43 -10.499 7.691 0.689
358 1HZ LYS 43 1HZ LYS 43 -8.838 7.427 -1.140
359 2HZ LYS 43 2HZ LYS 43 -7.717 6.918 0.018
360 3HZ LYS 43 3HZ LYS 43 -8.363 8.478 0.099
361 H GLY 44 H GLY 44 -7.292 10.218 4.444
362 1HA GLY 44 2HA GLY 44 -6.852 11.728 6.165
363 2HA GLY 44 1HA GLY 44 -5.629 10.627 6.784
364 H LEU 45 H LEU 45 -5.705 11.651 3.447
365 HA LEU 45 HA LEU 45 -3.098 12.909 3.820
366 1HB LEU 45 2HB LEU 45 -4.400 12.603 1.143
367 2HB LEU 45 1HB LEU 45 -2.698 12.561 1.565
368 HG LEU 45 HG LEU 45 -4.465 10.367 2.551
369 1HD1 LEU 45 1HD1 LEU 45 -3.464 10.672 -0.269
370 2HD1 LEU 45 2HD1 LEU 45 -5.128 10.442 0.269
371 3HD1 LEU 45 3HD1 LEU 45 -3.958 9.132 0.434
372 1HD2 LEU 45 1HD2 LEU 45 -2.492 9.110 2.562
373 2HD2 LEU 45 2HD2 LEU 45 -2.001 10.707 3.129
374 3HD2 LEU 45 3HD2 LEU 45 -1.672 10.223 1.466
375 H LYS 46 H LYS 46 -2.718 14.870 2.316
376 HA LYS 46 HA LYS 46 -4.994 16.693 2.539
377 1HB LYS 46 2HB LYS 46 -3.088 18.458 2.797
378 2HB LYS 46 1HB LYS 46 -3.598 17.506 4.185
379 1HG LYS 46 2HG LYS 46 -1.722 15.946 3.734
380 2HG LYS 46 1HG LYS 46 -1.178 17.044 2.464
381 1HD LYS 46 2HD LYS 46 -0.493 18.646 3.956
382 2HD LYS 46 1HD LYS 46 -1.662 18.152 5.183
383 1HE LYS 46 2HE LYS 46 0.581 16.327 4.415
384 2HE LYS 46 1HE LYS 46 0.866 17.656 5.538
385 1HZ LYS 46 1HZ LYS 46 -0.658 16.769 7.066
386 2HZ LYS 46 2HZ LYS 46 0.260 15.446 6.547
387 3HZ LYS 46 3HZ LYS 46 -1.300 15.680 5.941
388 HA PRO 47 HA PRO 47 -4.510 17.290 -1.828
389 1HB PRO 47 2HB PRO 47 -5.707 19.953 -1.386
390 2HB PRO 47 1HB PRO 47 -6.288 18.610 -2.374
391 1HG PRO 47 2HG PRO 47 -7.491 19.267 -0.075
392 2HG PRO 47 1HG PRO 47 -7.336 17.576 -0.588
393 1HD PRO 47 2HD PRO 47 -5.732 19.098 1.433
394 2HD PRO 47 1HD PRO 47 -6.346 17.433 1.506
395 H GLY 48 H GLY 48 -3.555 18.810 -3.381
396 1HA GLY 48 2HA GLY 48 -2.088 20.509 -4.017
397 2HA GLY 48 1HA GLY 48 -1.898 20.946 -2.326
398 H VAL 49 H VAL 49 -1.225 18.237 -1.486
399 HA VAL 49 HA VAL 49 1.461 18.032 -2.682
400 HB VAL 49 HB VAL 49 1.789 18.867 -0.491
401 1HG1 VAL 49 1HG1 VAL 49 -0.118 16.743 0.477
402 2HG1 VAL 49 2HG1 VAL 49 -0.428 18.478 0.403
403 3HG1 VAL 49 3HG1 VAL 49 0.792 17.846 1.509
404 1HG2 VAL 49 1HG2 VAL 49 2.201 16.097 0.344
405 2HG2 VAL 49 2HG2 VAL 49 3.366 17.403 0.127
406 3HG2 VAL 49 3HG2 VAL 49 2.831 16.457 -1.263
407 H VAL 50 H VAL 50 1.691 16.216 -3.800
408 HA VAL 50 HA VAL 50 -0.084 13.984 -3.454
409 HB VAL 50 HB VAL 50 2.391 14.200 -5.174
410 1HG1 VAL 50 1HG1 VAL 50 0.768 12.427 -6.416
411 2HG1 VAL 50 2HG1 VAL 50 0.408 12.076 -4.726
412 3HG1 VAL 50 3HG1 VAL 50 2.068 11.977 -5.312
413 1HG2 VAL 50 1HG2 VAL 50 -0.318 14.337 -6.352
414 2HG2 VAL 50 2HG2 VAL 50 1.170 15.157 -6.825
415 3HG2 VAL 50 3HG2 VAL 50 0.231 15.755 -5.458
416 H TYR 51 H TYR 51 0.390 11.940 -2.691
417 HA TYR 51 HA TYR 51 2.767 11.770 -0.992
418 1HB TYR 51 2HB TYR 51 0.003 10.758 -0.840
419 2HB TYR 51 1HB TYR 51 1.237 9.627 -0.316
420 HD1 TYR 51 1HD TYR 51 2.857 10.379 1.506
421 HD2 TYR 51 2HD TYR 51 -0.698 12.509 0.549
422 HE1 TYR 51 1HE TYR 51 2.957 11.513 3.686
423 HE2 TYR 51 2HE TYR 51 -0.611 13.650 2.724
424 HH TYR 51 HH TYR 51 1.670 12.721 5.195
425 H GLU 52 H GLU 52 4.380 10.446 -1.524
426 HA GLU 52 HA GLU 52 3.960 8.541 -3.717
427 1HB GLU 52 2HB GLU 52 5.720 9.767 -4.480
428 2HB GLU 52 1HB GLU 52 6.223 10.247 -2.866
429 1HG GLU 52 2HG GLU 52 7.690 8.566 -2.682
430 2HG GLU 52 1HG GLU 52 6.625 7.409 -3.479
431 H GLY 53 H GLY 53 4.136 6.409 -3.386
432 1HA GLY 53 2HA GLY 53 5.659 5.390 -1.132
433 2HA GLY 53 1HA GLY 53 3.926 5.121 -1.050
434 H GLN 54 H GLN 54 5.883 3.098 -1.108
435 HA GLN 54 HA GLN 54 5.131 1.753 -3.605
436 1HB GLN 54 2HB GLN 54 7.653 0.748 -2.702
437 2HB GLN 54 1HB GLN 54 7.254 1.493 -4.243
438 1HG GLN 54 2HG GLN 54 7.615 3.714 -3.194
439 2HG GLN 54 1HG GLN 54 8.163 2.885 -1.736
440 1HE2 GLN 54 1HE2 GLN 54 8.730 2.561 -5.226
441 2HE2 GLN 54 2HE2 GLN 54 10.455 2.525 -5.117
442 H LEU 55 H LEU 55 4.708 -0.455 -3.424
443 HA LEU 55 HA LEU 55 4.359 -1.375 -0.664
444 1HB LEU 55 2HB LEU 55 2.492 -1.318 -2.498
445 2HB LEU 55 1HB LEU 55 3.244 -2.803 -3.044
446 HG LEU 55 HG LEU 55 2.120 -3.977 -1.520
447 1HD1 LEU 55 1HD1 LEU 55 2.427 -3.751 0.827
448 2HD1 LEU 55 2HD1 LEU 55 2.936 -2.071 0.662
449 3HD1 LEU 55 3HD1 LEU 55 3.968 -3.368 0.059
450 1HD2 LEU 55 1HD2 LEU 55 0.985 -1.327 -0.661
451 2HD2 LEU 55 2HD2 LEU 55 0.319 -2.910 -0.258
452 3HD2 LEU 55 3HD2 LEU 55 0.356 -2.371 -1.938
453 H ILE 56 H ILE 56 6.074 -2.454 0.049
454 HA ILE 56 HA ILE 56 7.440 -4.327 -1.756
455 HB ILE 56 HB ILE 56 8.386 -3.116 0.844
456 1HG1 ILE 56 2HG1 ILE 56 10.166 -2.234 -0.911
457 2HG1 ILE 56 1HG1 ILE 56 8.838 -2.471 -2.042
458 1HG2 ILE 56 1HG2 ILE 56 9.192 -5.498 -0.413
459 2HG2 ILE 56 2HG2 ILE 56 9.972 -4.667 0.934
460 3HG2 ILE 56 3HG2 ILE 56 10.462 -4.314 -0.723
461 1HD1 ILE 56 1HD1 ILE 56 7.737 -1.104 0.129
462 2HD1 ILE 56 2HD1 ILE 56 8.101 -0.467 -1.475
463 3HD1 ILE 56 3HD1 ILE 56 9.296 -0.339 -0.185
464 H SER 57 H SER 57 6.819 -6.377 -1.535
465 HA SER 57 HA SER 57 5.618 -7.281 0.949
466 1HB SER 57 2HB SER 57 5.087 -7.864 -1.669
467 2HB SER 57 1HB SER 57 6.028 -9.270 -1.173
468 HG SER 57 HG SER 57 4.527 -9.266 0.714
469 H ILE 58 H ILE 58 6.653 -8.332 2.470
470 HA ILE 58 HA ILE 58 9.345 -9.355 1.919
471 HB ILE 58 HB ILE 58 8.005 -8.544 4.495
472 1HG1 ILE 58 2HG1 ILE 58 10.641 -7.569 3.434
473 2HG1 ILE 58 1HG1 ILE 58 9.134 -6.896 2.820
474 1HG2 ILE 58 1HG2 ILE 58 10.364 -10.278 4.039
475 2HG2 ILE 58 2HG2 ILE 58 9.196 -10.274 5.360
476 3HG2 ILE 58 3HG2 ILE 58 10.481 -9.068 5.317
477 1HD1 ILE 58 1HD1 ILE 58 10.128 -5.552 4.616
478 2HD1 ILE 58 2HD1 ILE 58 9.956 -6.922 5.713
479 3HD1 ILE 58 3HD1 ILE 58 8.523 -6.155 5.029
480 H GLN 59 H GLN 59 9.664 -11.449 1.777
481 HA GLN 59 HA GLN 59 7.581 -13.289 2.698
482 1HB GLN 59 2HB GLN 59 9.101 -13.162 0.341
483 2HB GLN 59 1HB GLN 59 9.699 -14.564 1.217
484 1HG GLN 59 2HG GLN 59 7.026 -14.897 1.479
485 2HG GLN 59 1HG GLN 59 7.118 -14.115 -0.096
486 1HE2 GLN 59 1HE2 GLN 59 8.491 -16.769 1.795
487 2HE2 GLN 59 2HE2 GLN 59 8.726 -17.836 0.454
488 H GLN 60 H GLN 60 8.808 -15.605 3.071
489 HA GLN 60 HA GLN 60 9.908 -15.416 5.635
490 1HB GLN 60 2HB GLN 60 9.144 -17.481 3.828
491 2HB GLN 60 1HB GLN 60 10.754 -17.856 4.426
492 1HG GLN 60 2HG GLN 60 9.926 -18.542 6.353
493 2HG GLN 60 1HG GLN 60 9.114 -16.997 6.591
494 1HE2 GLN 60 1HE2 GLN 60 8.802 -20.244 5.393
495 2HE2 GLN 60 2HE2 GLN 60 7.077 -20.257 5.294
496 H TYR 61 H TYR 61 11.408 -15.347 2.497
497 HA TYR 61 HA TYR 61 14.066 -15.541 3.722
498 1HB TYR 61 2HB TYR 61 13.935 -15.334 0.796
499 2HB TYR 61 1HB TYR 61 14.819 -16.470 1.808
500 HD1 TYR 61 1HD TYR 61 12.484 -16.334 -0.673
501 HD2 TYR 61 2HD TYR 61 13.010 -18.091 3.169
502 HE1 TYR 61 1HE TYR 61 10.869 -18.090 -1.261
503 HE2 TYR 61 2HE TYR 61 11.398 -19.855 2.588
504 HH TYR 61 HH TYR 61 10.585 -20.911 0.256
505 H GLY 62 H GLY 62 11.957 -13.193 3.251
506 1HA GLY 62 2HA GLY 62 12.788 -10.924 3.683
507 2HA GLY 62 1HA GLY 62 14.045 -11.241 2.496
508 H HIS 63 H HIS 63 12.766 -8.996 2.073
509 HA HIS 63 HA HIS 63 10.334 -9.015 0.723
510 1HB HIS 63 2HB HIS 63 11.352 -6.928 -0.458
511 2HB HIS 63 1HB HIS 63 11.081 -6.886 1.281
512 HD2 HIS 63 2HD HIS 63 13.173 -5.876 2.570
513 HE1 HIS 63 1HE HIS 63 16.169 -7.074 -0.169
514 HE2 HIS 63 2HE HIS 63 15.719 -6.018 2.091
515 H GLN 64 H GLN 64 9.882 -8.778 -1.569
516 HA GLN 64 HA GLN 64 11.858 -9.579 -3.491
517 1HB GLN 64 2HB GLN 64 10.364 -11.587 -4.196
518 2HB GLN 64 1HB GLN 64 11.500 -11.785 -2.869
519 1HG GLN 64 2HG GLN 64 9.871 -12.290 -1.456
520 2HG GLN 64 1HG GLN 64 8.966 -10.842 -1.892
521 1HE2 GLN 64 1HE2 GLN 64 7.555 -13.012 -1.265
522 2HE2 GLN 64 2HE2 GLN 64 6.847 -13.730 -2.668
523 H GLU 65 H GLU 65 8.776 -8.416 -2.606
524 HA GLU 65 HA GLU 65 8.090 -7.941 -5.433
525 1HB GLU 65 2HB GLU 65 6.556 -9.162 -3.506
526 2HB GLU 65 1HB GLU 65 5.962 -7.508 -3.462
527 1HG GLU 65 2HG GLU 65 4.988 -7.660 -5.483
528 2HG GLU 65 1HG GLU 65 6.275 -8.667 -6.147
529 H VAL 66 H VAL 66 8.081 -5.899 -6.144
530 HA VAL 66 HA VAL 66 7.790 -3.727 -4.185
531 HB VAL 66 HB VAL 66 9.801 -3.633 -6.432
532 1HG1 VAL 66 1HG1 VAL 66 8.801 -1.733 -4.420
533 2HG1 VAL 66 2HG1 VAL 66 9.518 -1.439 -6.004
534 3HG1 VAL 66 3HG1 VAL 66 10.553 -1.774 -4.615
535 1HG2 VAL 66 1HG2 VAL 66 10.402 -3.986 -3.502
536 2HG2 VAL 66 2HG2 VAL 66 11.536 -4.029 -4.853
537 3HG2 VAL 66 3HG2 VAL 66 10.353 -5.323 -4.652
538 H THR 67 H THR 67 6.408 -2.182 -4.775
539 HA THR 67 HA THR 67 5.769 -1.830 -7.619
540 HB THR 67 HB THR 67 3.389 -1.448 -6.045
541 HG1 THR 67 1HG THR 67 3.471 -3.144 -4.795
542 1HG2 THR 67 1HG2 THR 67 3.748 -1.907 -8.556
543 2HG2 THR 67 2HG2 THR 67 2.373 -2.672 -7.759
544 3HG2 THR 67 3HG2 THR 67 3.833 -3.604 -8.086
545 H ARG 68 H ARG 68 5.997 0.246 -8.143
546 HA ARG 68 HA ARG 68 5.930 2.263 -6.022
547 1HB ARG 68 2HB ARG 68 6.781 2.667 -8.886
548 2HB ARG 68 1HB ARG 68 7.149 3.683 -7.499
549 1HG ARG 68 2HG ARG 68 8.653 2.095 -6.611
550 2HG ARG 68 1HG ARG 68 8.098 0.843 -7.722
551 1HD ARG 68 2HD ARG 68 9.546 1.489 -9.283
552 2HD ARG 68 1HD ARG 68 9.017 3.167 -9.161
553 HE ARG 68 HE ARG 68 10.600 2.796 -6.970
554 1HH1 ARG 68 1HH1 ARG 68 11.025 2.376 -10.404
555 2HH1 ARG 68 2HH1 ARG 68 12.724 2.710 -10.365
556 1HH2 ARG 68 1HH2 ARG 68 12.839 3.233 -6.910
557 2HH2 ARG 68 2HH2 ARG 68 13.754 3.196 -8.380
558 H PHE 69 H PHE 69 4.385 3.788 -5.869
559 HA PHE 69 HA PHE 69 2.706 4.450 -8.127
560 1HB PHE 69 2HB PHE 69 0.620 3.957 -6.666
561 2HB PHE 69 1HB PHE 69 1.391 2.630 -7.529
562 HD1 PHE 69 1HD PHE 69 2.197 0.762 -6.381
563 HD2 PHE 69 2HD PHE 69 1.173 4.280 -4.216
564 HE1 PHE 69 1HE PHE 69 2.447 -0.470 -4.266
565 HE2 PHE 69 2HE PHE 69 1.421 3.054 -2.097
566 HZ PHE 69 HZ PHE 69 2.060 0.675 -2.121
567 H ASP 70 H ASP 70 1.290 6.221 -7.751
568 HA ASP 70 HA ASP 70 2.085 7.897 -5.462
569 1HB ASP 70 2HB ASP 70 1.256 8.674 -8.270
570 2HB ASP 70 1HB ASP 70 1.419 9.828 -6.950
571 H PHE 71 H PHE 71 0.445 8.749 -4.199
572 HA PHE 71 HA PHE 71 -2.294 8.499 -5.141
573 1HB PHE 71 2HB PHE 71 -3.022 6.966 -3.568
574 2HB PHE 71 1HB PHE 71 -1.428 6.339 -3.977
575 HD1 PHE 71 1HD PHE 71 -3.578 7.328 -1.356
576 HD2 PHE 71 2HD PHE 71 0.534 7.106 -2.444
577 HE1 PHE 71 1HE PHE 71 -2.949 7.403 1.020
578 HE2 PHE 71 2HE PHE 71 1.166 7.179 -0.069
579 HZ PHE 71 HZ PHE 71 -0.574 7.328 1.665
580 H THR 72 H THR 72 -3.721 9.867 -4.216
581 HA THR 72 HA THR 72 -3.044 11.322 -1.808
582 HB THR 72 HB THR 72 -3.970 13.273 -3.705
583 HG1 THR 72 1HG THR 72 -2.674 11.682 -5.063
584 1HG2 THR 72 1HG2 THR 72 -2.834 13.738 -1.573
585 2HG2 THR 72 2HG2 THR 72 -2.010 14.497 -2.935
586 3HG2 THR 72 3HG2 THR 72 -1.355 13.024 -2.217
587 H THR 73 H THR 73 -4.906 12.796 -1.177
588 HA THR 73 HA THR 73 -7.392 11.355 -1.677
589 HB THR 73 HB THR 73 -6.941 11.770 0.644
590 HG1 THR 73 1HG THR 73 -9.103 11.981 0.284
591 1HG2 THR 73 1HG2 THR 73 -5.433 13.716 0.295
592 2HG2 THR 73 2HG2 THR 73 -6.619 13.970 1.577
593 3HG2 THR 73 3HG2 THR 73 -6.855 14.717 -0.004
594 H THR 74 H THR 74 -8.956 12.077 -2.948
595 HA THR 74 HA THR 74 -9.976 13.304 -4.569
596 HB THR 74 HB THR 74 -10.810 14.286 -2.367
597 HG1 THR 74 1HG THR 74 -12.152 14.993 -3.836
598 1HG2 THR 74 1HG2 THR 74 -8.513 15.956 -2.759
599 2HG2 THR 74 2HG2 THR 74 -9.637 15.914 -1.401
600 3HG2 THR 74 3HG2 THR 74 -9.972 16.945 -2.792
601 H SER 75 H SER 75 -6.994 13.333 -4.609
602 HA SER 75 HA SER 75 -6.713 15.662 -6.374
603 1HB SER 75 2HB SER 75 -5.449 16.525 -4.664
604 2HB SER 75 1HB SER 75 -5.035 14.935 -4.025
605 HG SER 75 HG SER 75 -3.268 16.073 -5.045
606 H THR 76 H THR 76 -4.658 12.957 -5.301
607 HA THR 76 HA THR 76 -3.511 11.360 -6.439
608 HB THR 76 HB THR 76 -5.197 11.501 -8.868
609 HG1 THR 76 1HG THR 76 -7.045 10.908 -7.854
610 1HG2 THR 76 1HG2 THR 76 -3.720 9.554 -7.310
611 2HG2 THR 76 2HG2 THR 76 -4.259 9.478 -8.987
612 3HG2 THR 76 3HG2 THR 76 -5.347 8.989 -7.688
613 H SER 77 H SER 77 -2.546 10.881 -8.775
614 HA SER 77 HA SER 77 -1.892 13.291 -10.244
615 1HB SER 77 2HB SER 77 -0.280 12.803 -8.142
616 2HB SER 77 1HB SER 77 0.518 11.803 -9.356
617 HG SER 77 HG SER 77 -0.215 14.407 -10.058
618 H THR 78 H THR 78 -1.741 12.823 -12.329
619 HA THR 78 HA THR 78 -1.780 11.616 -14.260
620 HB THR 78 HB THR 78 0.141 10.141 -14.647
621 HG1 THR 78 1HG THR 78 1.649 10.045 -12.736
622 1HG2 THR 78 1HG2 THR 78 1.934 11.840 -13.751
623 2HG2 THR 78 2HG2 THR 78 0.511 12.796 -13.336
624 3HG2 THR 78 3HG2 THR 78 0.794 12.318 -15.010
625 HA PRO 79 HA PRO 79 -4.308 8.146 -12.600
626 1HB PRO 79 2HB PRO 79 -6.233 8.340 -14.510
627 2HB PRO 79 1HB PRO 79 -6.227 9.330 -13.046
628 1HG PRO 79 2HG PRO 79 -5.287 10.026 -15.805
629 2HG PRO 79 1HG PRO 79 -6.260 10.992 -14.679
630 1HD PRO 79 2HD PRO 79 -3.615 11.401 -14.996
631 2HD PRO 79 1HD PRO 79 -4.417 11.616 -13.426
632 H GLY 80 H GLY 80 -2.476 6.821 -13.313
633 1HA GLY 80 2HA GLY 80 -2.717 5.815 -16.068
634 2HA GLY 80 1HA GLY 80 -1.311 5.624 -15.031
635 H SER 81 H SER 81 -3.629 5.022 -12.936
636 HA SER 81 HA SER 81 -4.447 3.148 -11.945
637 1HB SER 81 2HB SER 81 -5.928 3.185 -13.933
638 2HB SER 81 1HB SER 81 -4.772 2.168 -14.792
639 HG SER 81 HG SER 81 -5.110 0.751 -12.798
640 H ARG 82 H ARG 82 -1.885 3.117 -11.627
641 HA ARG 82 HA ARG 82 -0.014 1.865 -11.299
642 1HB ARG 82 2HB ARG 82 -1.798 -0.541 -11.656
643 2HB ARG 82 1HB ARG 82 -0.331 -0.417 -10.693
644 1HG ARG 82 2HG ARG 82 -1.905 1.515 -9.578
645 2HG ARG 82 1HG ARG 82 -3.084 0.279 -10.021
646 1HD ARG 82 2HD ARG 82 -0.565 -0.268 -8.459
647 2HD ARG 82 1HD ARG 82 -2.138 0.035 -7.720
648 HE ARG 82 HE ARG 82 -1.993 -2.131 -9.659
649 1HH1 ARG 82 1HH1 ARG 82 -2.034 -1.156 -6.313
650 2HH1 ARG 82 2HH1 ARG 82 -2.478 -2.726 -5.729
651 1HH2 ARG 82 1HH2 ARG 82 -2.581 -4.198 -8.897
652 2HH2 ARG 82 2HH2 ARG 82 -2.788 -4.453 -7.195
653 H SER 83 H SER 83 0.977 2.495 -13.253
654 HA SER 83 HA SER 83 1.316 0.283 -15.128
655 1HB SER 83 2HB SER 83 -0.340 1.559 -16.279
656 2HB SER 83 1HB SER 83 0.474 3.078 -15.906
657 HG SER 83 HG SER 83 1.361 2.792 -17.789
658 H HIS 84 H HIS 84 3.346 0.119 -15.966
659 HA HIS 84 HA HIS 84 5.283 2.171 -15.115
660 1HB HIS 84 2HB HIS 84 5.824 -0.774 -15.541
661 2HB HIS 84 1HB HIS 84 6.949 0.423 -14.910
662 HD2 HIS 84 2HD HIS 84 4.426 -2.097 -13.673
663 HE1 HIS 84 1HE HIS 84 5.199 0.553 -10.464
664 HE2 HIS 84 2HE HIS 84 4.286 -1.722 -11.109
665 H HIS 85 H HIS 85 4.088 0.205 -17.709
666 HA HIS 85 HA HIS 85 6.244 0.996 -19.501
667 1HB HIS 85 2HB HIS 85 3.795 -0.714 -19.993
668 2HB HIS 85 1HB HIS 85 5.093 -0.440 -21.152
669 HD2 HIS 85 2HD HIS 85 4.364 -3.437 -19.920
670 HE1 HIS 85 1HE HIS 85 8.121 -2.946 -18.033
671 HE2 HIS 85 2HE HIS 85 6.418 -4.627 -18.871
672 H HIS 86 H HIS 86 5.301 3.282 -18.878
673 HA HIS 86 HA HIS 86 3.204 4.020 -20.799
674 1HB HIS 86 2HB HIS 86 2.839 4.639 -18.417
675 2HB HIS 86 1HB HIS 86 4.295 5.626 -18.478
676 HD2 HIS 86 2HD HIS 86 0.576 5.763 -19.465
677 HE1 HIS 86 1HE HIS 86 2.414 9.378 -20.674
678 HE2 HIS 86 2HE HIS 86 0.206 8.211 -20.237
679 H HIS 87 H HIS 87 4.429 4.149 -22.675
680 HA HIS 87 HA HIS 87 6.784 5.855 -22.715
681 1HB HIS 87 2HB HIS 87 7.107 5.088 -24.975
682 2HB HIS 87 1HB HIS 87 6.714 3.695 -23.973
683 HD2 HIS 87 2HD HIS 87 5.510 5.478 -27.114
684 HE1 HIS 87 1HE HIS 87 2.581 2.607 -26.073
685 HE2 HIS 87 2HE HIS 87 3.270 4.352 -27.777
686 H HIS 88 H HIS 88 6.909 7.310 -24.784
687 HA HIS 88 HA HIS 88 4.463 8.949 -24.815
688 1HB HIS 88 2HB HIS 88 6.984 9.713 -24.062
689 2HB HIS 88 1HB HIS 88 6.945 10.217 -25.749
690 HD2 HIS 88 2HD HIS 88 6.594 12.878 -25.451
691 HE1 HIS 88 1HE HIS 88 3.163 12.652 -22.983
692 HE2 HIS 88 2HE HIS 88 4.796 14.211 -24.140
693 H HIS 89 H HIS 89 4.077 10.179 -26.828
694 HA HIS 89 HA HIS 89 4.778 8.541 -29.171
695 1HB HIS 89 2HB HIS 89 2.313 9.988 -28.352
696 2HB HIS 89 1HB HIS 89 2.693 9.963 -30.071
697 HD2 HIS 89 2HD HIS 89 0.281 8.201 -28.317
698 HE1 HIS 89 1HE HIS 89 2.399 5.023 -30.140
699 HE2 HIS 89 2HE HIS 89 0.318 5.661 -28.840
Start of MODEL 25
1 1H MET 1 1HT MET 1 -1.672 0.040 -13.768
2 2H MET 1 2HT MET 1 -1.619 1.302 -14.892
3 3H MET 1 3HT MET 1 -0.291 0.271 -14.717
4 HA MET 1 HA MET 1 -1.912 -0.052 -16.689
5 1HB MET 1 2HB MET 1 0.048 -1.480 -15.794
6 2HB MET 1 1HB MET 1 -1.199 -2.487 -15.068
7 1HG MET 1 2HG MET 1 -0.996 -3.604 -17.009
8 2HG MET 1 1HG MET 1 -2.144 -2.385 -17.559
9 1HE MET 1 1HE MET 1 -0.628 -3.227 -20.381
10 2HE MET 1 2HE MET 1 -0.730 -1.485 -20.637
11 3HE MET 1 3HE MET 1 -1.970 -2.312 -19.695
12 H ARG 2 H ARG 2 -3.573 -1.767 -17.226
13 HA ARG 2 HA ARG 2 -5.912 -1.299 -15.658
14 1HB ARG 2 2HB ARG 2 -5.413 -3.117 -18.021
15 2HB ARG 2 1HB ARG 2 -6.995 -2.846 -17.302
16 1HG ARG 2 2HG ARG 2 -6.463 -0.337 -17.748
17 2HG ARG 2 1HG ARG 2 -5.303 -0.991 -18.906
18 1HD ARG 2 2HD ARG 2 -7.495 -0.480 -19.923
19 2HD ARG 2 1HD ARG 2 -7.056 -2.184 -20.054
20 HE ARG 2 HE ARG 2 -8.615 -2.615 -18.222
21 1HH1 ARG 2 1HH1 ARG 2 -8.881 0.431 -19.895
22 2HH1 ARG 2 2HH1 ARG 2 -10.536 0.680 -19.448
23 1HH2 ARG 2 1HH2 ARG 2 -10.793 -2.296 -17.629
24 2HH2 ARG 2 2HH2 ARG 2 -11.622 -0.870 -18.159
25 H GLY 3 H GLY 3 -7.150 -3.894 -16.007
26 1HA GLY 3 2HA GLY 3 -7.186 -6.037 -15.082
27 2HA GLY 3 1HA GLY 3 -5.586 -5.749 -14.414
28 H SER 4 H SER 4 -8.861 -6.000 -13.725
29 HA SER 4 HA SER 4 -8.596 -4.532 -11.195
30 1HB SER 4 2HB SER 4 -11.005 -4.532 -11.077
31 2HB SER 4 1HB SER 4 -10.540 -4.008 -12.695
32 HG SER 4 HG SER 4 -11.288 -5.836 -13.525
33 H ASN 5 H ASN 5 -8.403 -7.635 -12.442
34 HA ASN 5 HA ASN 5 -9.402 -8.937 -10.030
35 1HB ASN 5 2HB ASN 5 -9.857 -9.812 -12.380
36 2HB ASN 5 1HB ASN 5 -8.162 -10.288 -12.425
37 1HD2 ASN 5 1HD2 ASN 5 -10.936 -10.522 -10.220
38 2HD2 ASN 5 2HD2 ASN 5 -10.674 -12.175 -9.794
39 H ALA 6 H ALA 6 -8.150 -9.908 -8.524
40 HA ALA 6 HA ALA 6 -5.244 -9.984 -8.965
41 1HB ALA 6 1HB ALA 6 -5.402 -8.043 -7.691
42 2HB ALA 6 2HB ALA 6 -5.067 -9.290 -6.489
43 3HB ALA 6 3HB ALA 6 -6.711 -8.684 -6.697
44 HA PRO 7 HA PRO 7 -6.700 -14.106 -7.488
45 1HB PRO 7 2HB PRO 7 -4.632 -15.456 -8.670
46 2HB PRO 7 1HB PRO 7 -6.151 -15.072 -9.487
47 1HG PRO 7 2HG PRO 7 -3.520 -13.651 -9.615
48 2HG PRO 7 1HG PRO 7 -4.648 -14.039 -10.929
49 1HD PRO 7 2HD PRO 7 -4.523 -11.578 -9.855
50 2HD PRO 7 1HD PRO 7 -6.059 -12.279 -10.406
51 H GLN 8 H GLN 8 -3.295 -13.060 -7.670
52 HA GLN 8 HA GLN 8 -1.565 -13.208 -6.200
53 1HB GLN 8 2HB GLN 8 -3.903 -13.010 -4.313
54 2HB GLN 8 1HB GLN 8 -2.247 -13.099 -3.729
55 1HG GLN 8 2HG GLN 8 -1.696 -11.025 -4.578
56 2HG GLN 8 1HG GLN 8 -3.005 -11.046 -5.758
57 1HE2 GLN 8 1HE2 GLN 8 -2.112 -9.221 -3.464
58 2HE2 GLN 8 2HE2 GLN 8 -3.581 -8.902 -2.613
59 HA PRO 9 HA PRO 9 -1.929 -17.817 -6.005
60 1HB PRO 9 2HB PRO 9 0.979 -17.488 -6.491
61 2HB PRO 9 1HB PRO 9 -0.186 -18.542 -7.300
62 1HG PRO 9 2HG PRO 9 0.761 -16.362 -8.511
63 2HG PRO 9 1HG PRO 9 -0.930 -16.859 -8.708
64 1HD PRO 9 2HD PRO 9 0.223 -14.684 -7.007
65 2HD PRO 9 1HD PRO 9 -1.275 -14.695 -7.964
66 H SER 10 H SER 10 -2.267 -18.054 -3.830
67 HA SER 10 HA SER 10 -1.785 -18.551 -1.670
68 1HB SER 10 2HB SER 10 0.091 -19.770 -1.305
69 2HB SER 10 1HB SER 10 0.296 -19.627 -3.050
70 HG SER 10 HG SER 10 1.449 -17.964 -1.059
71 H HIS 11 H HIS 11 -1.700 -17.318 0.104
72 HA HIS 11 HA HIS 11 -1.109 -14.567 -0.104
73 1HB HIS 11 2HB HIS 11 -1.611 -14.455 2.275
74 2HB HIS 11 1HB HIS 11 -2.784 -15.485 1.458
75 HD2 HIS 11 2HD HIS 11 -1.545 -15.593 4.713
76 HE1 HIS 11 1HE HIS 11 -0.751 -19.540 3.408
77 HE2 HIS 11 2HE HIS 11 -0.821 -17.986 5.409
78 H ILE 12 H ILE 12 0.468 -13.327 0.984
79 HA ILE 12 HA ILE 12 3.046 -14.699 1.211
80 HB ILE 12 HB ILE 12 3.039 -12.804 -0.283
81 1HG1 ILE 12 2HG1 ILE 12 4.382 -11.627 2.117
82 2HG1 ILE 12 1HG1 ILE 12 4.925 -13.202 1.541
83 1HG2 ILE 12 1HG2 ILE 12 2.641 -10.492 0.788
84 2HG2 ILE 12 2HG2 ILE 12 1.773 -11.392 2.032
85 3HG2 ILE 12 3HG2 ILE 12 1.245 -11.478 0.351
86 1HD1 ILE 12 1HD1 ILE 12 5.141 -10.534 0.268
87 2HD1 ILE 12 2HD1 ILE 12 5.002 -11.952 -0.770
88 3HD1 ILE 12 3HD1 ILE 12 6.329 -11.833 0.386
89 H SER 13 H SER 13 4.502 -14.149 2.962
90 HA SER 13 HA SER 13 3.494 -14.491 5.493
91 1HB SER 13 2HB SER 13 5.980 -14.421 4.506
92 2HB SER 13 1HB SER 13 5.951 -12.826 5.257
93 HG SER 13 HG SER 13 5.020 -14.185 7.123
94 H LYS 14 H LYS 14 4.497 -11.386 4.025
95 HA LYS 14 HA LYS 14 2.370 -9.985 5.306
96 1HB LYS 14 2HB LYS 14 4.012 -8.442 6.575
97 2HB LYS 14 1HB LYS 14 3.566 -9.982 7.299
98 1HG LYS 14 2HG LYS 14 5.728 -10.408 7.515
99 2HG LYS 14 1HG LYS 14 5.814 -10.542 5.757
100 1HD LYS 14 2HD LYS 14 6.698 -8.445 5.504
101 2HD LYS 14 1HD LYS 14 5.927 -7.827 6.966
102 1HE LYS 14 2HE LYS 14 8.376 -9.563 6.749
103 2HE LYS 14 1HE LYS 14 8.254 -7.935 7.414
104 1HZ LYS 14 1HZ LYS 14 7.278 -10.469 8.582
105 2HZ LYS 14 2HZ LYS 14 6.699 -8.971 9.111
106 3HZ LYS 14 3HZ LYS 14 8.343 -9.341 9.256
107 H TYR 15 H TYR 15 2.051 -7.955 4.503
108 HA TYR 15 HA TYR 15 3.724 -7.185 2.215
109 1HB TYR 15 2HB TYR 15 0.848 -6.894 2.914
110 2HB TYR 15 1HB TYR 15 1.575 -5.569 2.017
111 HD1 TYR 15 1HD TYR 15 -0.313 -8.388 1.630
112 HD2 TYR 15 2HD TYR 15 3.165 -6.569 -0.009
113 HE1 TYR 15 1HE TYR 15 -0.660 -9.626 -0.465
114 HE2 TYR 15 2HE TYR 15 2.828 -7.803 -2.107
115 HH TYR 15 HH TYR 15 0.386 -8.931 -3.207
116 H ILE 16 H ILE 16 4.772 -5.216 2.185
117 HA ILE 16 HA ILE 16 4.433 -3.533 4.570
118 HB ILE 16 HB ILE 16 6.811 -4.574 3.252
119 1HG1 ILE 16 2HG1 ILE 16 6.061 -4.710 5.693
120 2HG1 ILE 16 1HG1 ILE 16 7.754 -4.346 5.391
121 1HG2 ILE 16 1HG2 ILE 16 8.191 -2.550 3.513
122 2HG2 ILE 16 2HG2 ILE 16 6.728 -1.615 3.826
123 3HG2 ILE 16 3HG2 ILE 16 6.967 -2.377 2.254
124 1HD1 ILE 16 1HD1 ILE 16 5.589 -2.444 6.247
125 2HD1 ILE 16 2HD1 ILE 16 7.187 -1.921 5.714
126 3HD1 ILE 16 3HD1 ILE 16 7.023 -2.934 7.149
127 H LEU 17 H LEU 17 3.821 -1.493 4.300
128 HA LEU 17 HA LEU 17 3.874 -0.373 1.574
129 1HB LEU 17 2HB LEU 17 1.643 -0.885 3.093
130 2HB LEU 17 1HB LEU 17 1.954 0.802 3.454
131 HG LEU 17 HG LEU 17 2.089 0.233 0.599
132 1HD1 LEU 17 1HD1 LEU 17 0.366 -1.431 1.405
133 2HD1 LEU 17 2HD1 LEU 17 -0.179 -0.270 0.194
134 3HD1 LEU 17 3HD1 LEU 17 -0.611 -0.044 1.888
135 1HD2 LEU 17 1HD2 LEU 17 0.837 2.233 0.441
136 2HD2 LEU 17 2HD2 LEU 17 1.972 2.466 1.771
137 3HD2 LEU 17 3HD2 LEU 17 0.280 2.101 2.110
138 H ARG 18 H ARG 18 5.346 1.175 1.422
139 HA ARG 18 HA ARG 18 5.727 2.956 3.733
140 1HB ARG 18 2HB ARG 18 8.058 2.933 2.074
141 2HB ARG 18 1HB ARG 18 7.909 2.503 3.773
142 1HG ARG 18 2HG ARG 18 6.898 0.289 2.568
143 2HG ARG 18 1HG ARG 18 8.128 0.795 1.408
144 1HD ARG 18 2HD ARG 18 8.701 0.578 4.346
145 2HD ARG 18 1HD ARG 18 8.832 -0.812 3.267
146 HE ARG 18 HE ARG 18 10.647 0.242 2.182
147 1HH1 ARG 18 1HH1 ARG 18 9.421 2.076 4.879
148 2HH1 ARG 18 2HH1 ARG 18 10.840 3.061 5.020
149 1HH2 ARG 18 1HH2 ARG 18 12.520 1.535 2.360
150 2HH2 ARG 18 2HH2 ARG 18 12.600 2.754 3.588
151 H TRP 19 H TRP 19 5.462 5.053 3.363
152 HA TRP 19 HA TRP 19 5.891 6.137 0.710
153 1HB TRP 19 2HB TRP 19 3.717 6.956 0.349
154 2HB TRP 19 1HB TRP 19 3.471 5.303 0.901
155 HD1 TRP 19 HD TRP 19 2.741 8.894 1.811
156 HE1 TRP 19 1HE TRP 19 1.221 8.954 3.888
157 HE3 TRP 19 3HE TRP 19 2.972 3.960 3.127
158 HZ2 TRP 19 2HZ TRP 19 0.249 7.147 5.828
159 HZ3 TRP 19 3HZ TRP 19 1.718 3.208 5.106
160 HH2 TRP 19 HH TRP 19 0.386 4.770 6.428
161 H ARG 20 H ARG 20 5.737 8.501 0.677
162 HA ARG 20 HA ARG 20 5.740 9.922 3.180
163 1HB ARG 20 2HB ARG 20 8.058 10.804 2.867
164 2HB ARG 20 1HB ARG 20 8.002 9.093 3.270
165 1HG ARG 20 2HG ARG 20 8.952 8.487 1.342
166 2HG ARG 20 1HG ARG 20 7.993 9.630 0.399
167 1HD ARG 20 2HD ARG 20 9.471 11.437 1.008
168 2HD ARG 20 1HD ARG 20 10.377 10.377 2.088
169 HE ARG 20 HE ARG 20 10.333 9.398 -0.590
170 1HH1 ARG 20 1HH1 ARG 20 11.882 11.688 1.530
171 2HH1 ARG 20 2HH1 ARG 20 13.351 11.738 0.614
172 1HH2 ARG 20 1HH2 ARG 20 12.265 9.457 -1.803
173 2HH2 ARG 20 2HH2 ARG 20 13.568 10.471 -1.280
174 HA PRO 21 HA PRO 21 4.355 13.205 0.592
175 1HB PRO 21 2HB PRO 21 5.676 15.364 1.719
176 2HB PRO 21 1HB PRO 21 4.163 14.680 2.321
177 1HG PRO 21 2HG PRO 21 6.959 14.236 3.274
178 2HG PRO 21 1HG PRO 21 5.464 14.397 4.213
179 1HD PRO 21 2HD PRO 21 6.601 12.005 3.773
180 2HD PRO 21 1HD PRO 21 4.836 12.201 3.826
181 H LYS 22 H LYS 22 5.144 13.064 -1.419
182 HA LYS 22 HA LYS 22 7.813 13.010 -2.190
183 1HB LYS 22 2HB LYS 22 5.809 12.334 -3.551
184 2HB LYS 22 1HB LYS 22 5.513 14.040 -3.849
185 1HG LYS 22 2HG LYS 22 7.055 14.130 -5.451
186 2HG LYS 22 1HG LYS 22 8.242 13.265 -4.471
187 1HD LYS 22 2HD LYS 22 7.936 11.469 -5.743
188 2HD LYS 22 1HD LYS 22 6.260 11.394 -5.194
189 1HE LYS 22 2HE LYS 22 6.145 11.468 -7.543
190 2HE LYS 22 1HE LYS 22 5.744 13.098 -7.001
191 1HZ LYS 22 1HZ LYS 22 7.240 13.458 -8.705
192 2HZ LYS 22 2HZ LYS 22 8.210 12.135 -8.296
193 3HZ LYS 22 3HZ LYS 22 8.241 13.532 -7.343
194 H ASN 23 H ASN 23 5.632 15.708 -1.705
195 HA ASN 23 HA ASN 23 7.306 17.687 -2.877
196 1HB ASN 23 2HB ASN 23 4.829 17.910 -2.480
197 2HB ASN 23 1HB ASN 23 5.185 18.118 -0.769
198 1HD2 ASN 23 1HD2 ASN 23 4.807 20.173 -0.331
199 2HD2 ASN 23 2HD2 ASN 23 5.430 21.522 -1.212
200 H SER 24 H SER 24 7.115 16.227 0.280
201 HA SER 24 HA SER 24 8.712 18.226 1.589
202 1HB SER 24 2HB SER 24 6.979 16.473 2.576
203 2HB SER 24 1HB SER 24 8.430 15.479 2.721
204 HG SER 24 HG SER 24 7.645 17.624 4.197
205 H VAL 25 H VAL 25 10.443 16.570 3.091
206 HA VAL 25 HA VAL 25 12.401 15.836 1.017
207 HB VAL 25 HB VAL 25 12.944 17.815 2.505
208 1HG1 VAL 25 1HG1 VAL 25 14.055 16.812 4.721
209 2HG1 VAL 25 2HG1 VAL 25 12.716 15.679 4.537
210 3HG1 VAL 25 3HG1 VAL 25 12.397 17.409 4.663
211 1HG2 VAL 25 1HG2 VAL 25 14.853 15.481 2.557
212 2HG2 VAL 25 2HG2 VAL 25 15.282 17.178 2.757
213 3HG2 VAL 25 3HG2 VAL 25 14.640 16.608 1.217
214 H GLY 26 H GLY 26 10.406 14.558 3.373
215 1HA GLY 26 2HA GLY 26 11.388 11.942 3.087
216 2HA GLY 26 1HA GLY 26 12.022 12.601 4.587
217 H ARG 27 H ARG 27 10.915 11.775 6.223
218 HA ARG 27 HA ARG 27 9.204 11.207 7.605
219 1HB ARG 27 2HB ARG 27 7.445 12.859 5.786
220 2HB ARG 27 1HB ARG 27 7.105 12.395 7.447
221 1HG ARG 27 2HG ARG 27 9.536 13.703 7.611
222 2HG ARG 27 1HG ARG 27 8.624 14.634 6.419
223 1HD ARG 27 2HD ARG 27 7.871 15.655 8.303
224 2HD ARG 27 1HD ARG 27 6.705 14.335 8.231
225 HE ARG 27 HE ARG 27 8.942 14.592 10.091
226 1HH1 ARG 27 1HH1 ARG 27 6.231 12.744 8.913
227 2HH1 ARG 27 2HH1 ARG 27 6.147 11.732 10.317
228 1HH2 ARG 27 1HH2 ARG 27 8.834 13.268 11.942
229 2HH2 ARG 27 2HH2 ARG 27 7.626 12.030 12.038
230 H TRP 28 H TRP 28 9.573 9.055 6.669
231 HA TRP 28 HA TRP 28 7.701 8.100 4.684
232 1HB TRP 28 2HB TRP 28 9.802 6.704 6.348
233 2HB TRP 28 1HB TRP 28 8.791 5.881 5.165
234 HD1 TRP 28 HD TRP 28 11.732 8.305 5.425
235 HE1 TRP 28 1HE TRP 28 12.859 8.483 3.118
236 HE3 TRP 28 3HE TRP 28 8.320 5.696 2.652
237 HZ2 TRP 28 2HZ TRP 28 12.366 7.630 0.473
238 HZ3 TRP 28 3HZ TRP 28 8.722 5.424 0.240
239 HH2 TRP 28 HH TRP 28 10.704 6.372 -0.826
240 H LYS 29 H LYS 29 6.663 5.853 5.261
241 HA LYS 29 HA LYS 29 5.685 5.640 7.976
242 1HB LYS 29 2HB LYS 29 4.025 6.705 5.747
243 2HB LYS 29 1HB LYS 29 3.263 5.548 6.830
244 1HG LYS 29 2HG LYS 29 3.327 6.968 8.620
245 2HG LYS 29 1HG LYS 29 4.740 7.837 8.021
246 1HD LYS 29 2HD LYS 29 3.274 8.773 6.210
247 2HD LYS 29 1HD LYS 29 1.896 8.060 7.053
248 1HE LYS 29 2HE LYS 29 3.777 9.796 8.578
249 2HE LYS 29 1HE LYS 29 2.619 10.555 7.486
250 1HZ LYS 29 1HZ LYS 29 1.067 8.823 8.822
251 2HZ LYS 29 2HZ LYS 29 1.268 10.447 9.250
252 3HZ LYS 29 3HZ LYS 29 2.178 9.249 10.025
253 H GLU 30 H GLU 30 5.154 3.534 8.456
254 HA GLU 30 HA GLU 30 5.132 1.666 6.171
255 1HB GLU 30 2HB GLU 30 5.977 0.627 8.808
256 2HB GLU 30 1HB GLU 30 6.590 0.265 7.200
257 1HG GLU 30 2HG GLU 30 7.409 2.829 7.497
258 2HG GLU 30 1HG GLU 30 7.481 2.252 9.161
259 H ALA 31 H ALA 31 3.586 0.170 6.042
260 HA ALA 31 HA ALA 31 1.848 -0.367 8.334
261 1HB ALA 31 1HB ALA 31 -0.017 -0.280 6.381
262 2HB ALA 31 2HB ALA 31 1.055 1.016 5.854
263 3HB ALA 31 3HB ALA 31 0.334 1.067 7.462
264 H THR 32 H THR 32 1.926 -2.519 8.579
265 HA THR 32 HA THR 32 2.411 -4.192 6.234
266 HB THR 32 HB THR 32 2.397 -5.032 9.134
267 HG1 THR 32 1HG THR 32 4.051 -3.497 8.704
268 1HG2 THR 32 1HG2 THR 32 2.088 -6.904 7.633
269 2HG2 THR 32 2HG2 THR 32 3.734 -6.940 8.262
270 3HG2 THR 32 3HG2 THR 32 3.430 -6.364 6.624
271 H ILE 33 H ILE 33 1.056 -5.699 5.466
272 HA ILE 33 HA ILE 33 -1.452 -6.226 6.897
273 HB ILE 33 HB ILE 33 -1.498 -5.903 3.918
274 1HG1 ILE 33 2HG1 ILE 33 -2.606 -3.568 4.972
275 2HG1 ILE 33 1HG1 ILE 33 -1.100 -3.778 5.860
276 1HG2 ILE 33 1HG2 ILE 33 -3.748 -6.021 4.125
277 2HG2 ILE 33 2HG2 ILE 33 -3.762 -5.167 5.669
278 3HG2 ILE 33 3HG2 ILE 33 -3.327 -6.875 5.609
279 1HD1 ILE 33 1HD1 ILE 33 -0.092 -4.158 3.488
280 2HD1 ILE 33 2HD1 ILE 33 -0.418 -2.525 4.069
281 3HD1 ILE 33 3HD1 ILE 33 -1.541 -3.305 2.955
282 HA PRO 34 HA PRO 34 0.207 -10.370 6.176
283 1HB PRO 34 2HB PRO 34 -2.590 -10.973 7.028
284 2HB PRO 34 1HB PRO 34 -1.068 -11.689 7.571
285 1HG PRO 34 2HG PRO 34 -2.337 -9.923 9.093
286 2HG PRO 34 1HG PRO 34 -0.569 -9.898 8.961
287 1HD PRO 34 2HD PRO 34 -2.586 -8.082 7.729
288 2HD PRO 34 1HD PRO 34 -0.954 -7.720 8.325
289 H GLY 35 H GLY 35 0.320 -10.274 3.898
290 1HA GLY 35 2HA GLY 35 -0.328 -10.672 1.726
291 2HA GLY 35 1HA GLY 35 -1.194 -12.020 2.444
292 H HIS 36 H HIS 36 -2.018 -8.711 3.202
293 HA HIS 36 HA HIS 36 -3.954 -7.541 2.934
294 1HB HIS 36 2HB HIS 36 -2.983 -8.257 0.359
295 2HB HIS 36 1HB HIS 36 -4.738 -8.389 0.314
296 HD2 HIS 36 2HD HIS 36 -2.849 -5.577 2.296
297 HE1 HIS 36 1HE HIS 36 -5.066 -3.862 -0.876
298 HE2 HIS 36 2HE HIS 36 -3.491 -3.392 1.055
299 H LEU 37 H LEU 37 -4.800 -9.196 4.523
300 HA LEU 37 HA LEU 37 -6.503 -11.264 3.561
301 1HB LEU 37 2HB LEU 37 -7.303 -11.407 5.928
302 2HB LEU 37 1HB LEU 37 -5.584 -11.626 5.702
303 HG LEU 37 HG LEU 37 -6.186 -10.335 7.733
304 1HD1 LEU 37 1HD1 LEU 37 -4.464 -8.735 7.561
305 2HD1 LEU 37 2HD1 LEU 37 -4.642 -8.622 5.811
306 3HD1 LEU 37 3HD1 LEU 37 -3.997 -10.094 6.539
307 1HD2 LEU 37 1HD2 LEU 37 -7.018 -8.107 7.617
308 2HD2 LEU 37 2HD2 LEU 37 -8.132 -9.151 6.735
309 3HD2 LEU 37 3HD2 LEU 37 -6.995 -8.131 5.853
310 H ASN 38 H ASN 38 -6.865 -7.982 3.573
311 HA ASN 38 HA ASN 38 -9.616 -8.147 2.822
312 1HB ASN 38 2HB ASN 38 -10.660 -6.996 4.570
313 2HB ASN 38 1HB ASN 38 -9.575 -8.097 5.413
314 1HD2 ASN 38 1HD2 ASN 38 -10.770 -5.273 5.837
315 2HD2 ASN 38 2HD2 ASN 38 -9.417 -4.369 6.419
316 H SER 39 H SER 39 -10.443 -5.613 2.863
317 HA SER 39 HA SER 39 -8.641 -4.336 1.011
318 1HB SER 39 2HB SER 39 -10.552 -2.521 1.174
319 2HB SER 39 1HB SER 39 -10.826 -4.036 0.312
320 HG SER 39 HG SER 39 -12.112 -4.722 1.883
321 H TYR 40 H TYR 40 -6.912 -3.362 1.857
322 HA TYR 40 HA TYR 40 -7.316 -1.584 4.170
323 1HB TYR 40 2HB TYR 40 -5.664 -3.671 4.193
324 2HB TYR 40 1HB TYR 40 -4.585 -2.517 3.417
325 HD1 TYR 40 1HD TYR 40 -4.688 -0.087 4.669
326 HD2 TYR 40 2HD TYR 40 -5.409 -3.875 6.468
327 HE1 TYR 40 1HE TYR 40 -4.109 0.853 6.864
328 HE2 TYR 40 2HE TYR 40 -4.835 -2.944 8.669
329 HH TYR 40 HH TYR 40 -3.661 0.373 9.014
330 H THR 41 H THR 41 -7.545 0.427 3.436
331 HA THR 41 HA THR 41 -5.715 1.354 1.320
332 HB THR 41 HB THR 41 -8.020 1.466 0.576
333 HG1 THR 41 1HG THR 41 -6.723 3.193 -0.090
334 1HG2 THR 41 1HG2 THR 41 -9.578 3.069 1.781
335 2HG2 THR 41 2HG2 THR 41 -8.451 2.994 3.136
336 3HG2 THR 41 3HG2 THR 41 -9.270 1.530 2.588
337 H ILE 42 H ILE 42 -4.690 3.339 1.550
338 HA ILE 42 HA ILE 42 -4.389 4.225 4.309
339 HB ILE 42 HB ILE 42 -2.812 4.780 1.806
340 1HG1 ILE 42 2HG1 ILE 42 -2.450 2.618 2.942
341 2HG1 ILE 42 1HG1 ILE 42 -1.026 3.646 3.020
342 1HG2 ILE 42 1HG2 ILE 42 -2.808 6.222 4.407
343 2HG2 ILE 42 2HG2 ILE 42 -2.522 6.829 2.777
344 3HG2 ILE 42 3HG2 ILE 42 -1.261 5.924 3.614
345 1HD1 ILE 42 1HD1 ILE 42 -2.474 4.229 5.326
346 2HD1 ILE 42 2HD1 ILE 42 -0.987 3.291 5.199
347 3HD1 ILE 42 3HD1 ILE 42 -2.550 2.476 5.147
348 H LYS 43 H LYS 43 -5.351 5.973 5.086
349 HA LYS 43 HA LYS 43 -6.061 8.160 3.270
350 1HB LYS 43 2HB LYS 43 -7.920 6.506 4.887
351 2HB LYS 43 1HB LYS 43 -8.215 8.239 4.869
352 1HG LYS 43 2HG LYS 43 -8.279 8.174 2.407
353 2HG LYS 43 1HG LYS 43 -8.065 6.424 2.471
354 1HD LYS 43 2HD LYS 43 -10.152 6.191 3.697
355 2HD LYS 43 1HD LYS 43 -10.355 7.945 3.719
356 1HE LYS 43 2HE LYS 43 -11.735 7.011 1.980
357 2HE LYS 43 1HE LYS 43 -10.420 7.929 1.248
358 1HZ LYS 43 1HZ LYS 43 -9.229 5.776 0.983
359 2HZ LYS 43 2HZ LYS 43 -10.643 5.900 0.064
360 3HZ LYS 43 3HZ LYS 43 -10.636 4.980 1.483
361 H GLY 44 H GLY 44 -6.592 10.176 4.430
362 1HA GLY 44 2HA GLY 44 -6.578 11.350 6.587
363 2HA GLY 44 1HA GLY 44 -5.250 10.301 7.059
364 H LEU 45 H LEU 45 -4.758 11.010 3.892
365 HA LEU 45 HA LEU 45 -2.599 12.793 4.481
366 1HB LEU 45 2HB LEU 45 -3.665 12.104 1.739
367 2HB LEU 45 1HB LEU 45 -2.048 12.641 2.166
368 HG LEU 45 HG LEU 45 -3.146 10.048 3.203
369 1HD1 LEU 45 1HD1 LEU 45 -1.520 10.303 0.693
370 2HD1 LEU 45 2HD1 LEU 45 -3.278 10.169 0.688
371 3HD1 LEU 45 3HD1 LEU 45 -2.296 8.863 1.353
372 1HD2 LEU 45 1HD2 LEU 45 -0.753 9.472 3.317
373 2HD2 LEU 45 2HD2 LEU 45 -1.169 10.871 4.309
374 3HD2 LEU 45 3HD2 LEU 45 -0.359 11.098 2.760
375 H LYS 46 H LYS 46 -2.677 14.500 2.212
376 HA LYS 46 HA LYS 46 -5.087 16.086 2.566
377 1HB LYS 46 2HB LYS 46 -3.370 16.860 4.227
378 2HB LYS 46 1HB LYS 46 -2.346 17.305 2.869
379 1HG LYS 46 2HG LYS 46 -4.225 18.785 2.084
380 2HG LYS 46 1HG LYS 46 -5.002 18.479 3.639
381 1HD LYS 46 2HD LYS 46 -3.425 19.670 4.814
382 2HD LYS 46 1HD LYS 46 -2.166 19.395 3.609
383 1HE LYS 46 2HE LYS 46 -3.927 21.632 3.909
384 2HE LYS 46 1HE LYS 46 -2.572 21.425 2.802
385 1HZ LYS 46 1HZ LYS 46 -5.367 20.538 2.324
386 2HZ LYS 46 2HZ LYS 46 -4.072 20.279 1.268
387 3HZ LYS 46 3HZ LYS 46 -4.598 21.853 1.589
388 HA PRO 47 HA PRO 47 -4.733 16.441 -1.840
389 1HB PRO 47 2HB PRO 47 -6.192 18.995 -1.439
390 2HB PRO 47 1HB PRO 47 -6.602 17.613 -2.459
391 1HG PRO 47 2HG PRO 47 -7.924 18.081 -0.190
392 2HG PRO 47 1HG PRO 47 -7.545 16.428 -0.706
393 1HD PRO 47 2HD PRO 47 -6.236 18.110 1.391
394 2HD PRO 47 1HD PRO 47 -6.577 16.367 1.390
395 H GLY 48 H GLY 48 -3.673 17.735 -3.409
396 1HA GLY 48 2HA GLY 48 -2.309 19.469 -4.174
397 2HA GLY 48 1HA GLY 48 -2.400 20.208 -2.581
398 H VAL 49 H VAL 49 -1.677 17.487 -1.436
399 HA VAL 49 HA VAL 49 1.224 17.707 -1.894
400 HB VAL 49 HB VAL 49 0.363 16.238 0.497
401 1HG1 VAL 49 1HG1 VAL 49 2.114 17.712 1.516
402 2HG1 VAL 49 2HG1 VAL 49 2.346 18.428 -0.079
403 3HG1 VAL 49 3HG1 VAL 49 2.672 16.713 0.174
404 1HG2 VAL 49 1HG2 VAL 49 -1.095 17.699 1.316
405 2HG2 VAL 49 2HG2 VAL 49 -0.856 18.780 -0.056
406 3HG2 VAL 49 3HG2 VAL 49 0.197 18.900 1.353
407 H VAL 50 H VAL 50 2.062 16.092 -3.030
408 HA VAL 50 HA VAL 50 0.608 13.634 -3.421
409 HB VAL 50 HB VAL 50 3.351 14.431 -4.408
410 1HG1 VAL 50 1HG1 VAL 50 2.440 11.912 -4.272
411 2HG1 VAL 50 2HG1 VAL 50 3.480 12.494 -5.573
412 3HG1 VAL 50 3HG1 VAL 50 1.735 12.395 -5.816
413 1HG2 VAL 50 1HG2 VAL 50 1.591 15.914 -5.232
414 2HG2 VAL 50 2HG2 VAL 50 0.676 14.519 -5.804
415 3HG2 VAL 50 3HG2 VAL 50 2.236 14.908 -6.529
416 H TYR 51 H TYR 51 1.204 11.585 -2.788
417 HA TYR 51 HA TYR 51 3.401 11.404 -0.834
418 1HB TYR 51 2HB TYR 51 0.609 10.295 -0.681
419 2HB TYR 51 1HB TYR 51 1.928 9.543 0.206
420 HD1 TYR 51 1HD TYR 51 3.013 10.725 2.059
421 HD2 TYR 51 2HD TYR 51 -0.285 12.433 -0.017
422 HE1 TYR 51 1HE TYR 51 2.706 12.338 3.888
423 HE2 TYR 51 2HE TYR 51 -0.603 14.049 1.809
424 HH TYR 51 HH TYR 51 0.063 13.974 4.473
425 H GLU 52 H GLU 52 4.939 10.364 -1.966
426 HA GLU 52 HA GLU 52 4.299 8.313 -3.877
427 1HB GLU 52 2HB GLU 52 6.738 8.133 -4.171
428 2HB GLU 52 1HB GLU 52 6.186 9.797 -4.300
429 1HG GLU 52 2HG GLU 52 7.003 10.311 -2.117
430 2HG GLU 52 1HG GLU 52 7.363 8.615 -1.798
431 H GLY 53 H GLY 53 4.239 6.188 -3.548
432 1HA GLY 53 2HA GLY 53 5.409 5.127 -1.064
433 2HA GLY 53 1HA GLY 53 3.745 4.755 -1.483
434 H GLN 54 H GLN 54 5.666 2.809 -1.027
435 HA GLN 54 HA GLN 54 5.822 1.570 -3.682
436 1HB GLN 54 2HB GLN 54 7.953 0.864 -1.747
437 2HB GLN 54 1HB GLN 54 8.027 1.009 -3.496
438 1HG GLN 54 2HG GLN 54 7.799 3.553 -3.036
439 2HG GLN 54 1HG GLN 54 8.321 3.121 -1.409
440 1HE2 GLN 54 1HE2 GLN 54 9.630 4.692 -3.546
441 2HE2 GLN 54 2HE2 GLN 54 11.171 3.946 -3.781
442 H LEU 55 H LEU 55 5.272 -0.563 -3.755
443 HA LEU 55 HA LEU 55 4.230 -1.719 -1.274
444 1HB LEU 55 2HB LEU 55 3.000 -1.460 -3.641
445 2HB LEU 55 1HB LEU 55 3.770 -3.010 -3.910
446 HG LEU 55 HG LEU 55 1.432 -3.185 -3.103
447 1HD1 LEU 55 1HD1 LEU 55 3.682 -4.619 -2.278
448 2HD1 LEU 55 2HD1 LEU 55 2.002 -5.154 -2.266
449 3HD1 LEU 55 3HD1 LEU 55 2.697 -4.401 -0.831
450 1HD2 LEU 55 1HD2 LEU 55 1.360 -2.818 -0.483
451 2HD2 LEU 55 2HD2 LEU 55 0.964 -1.526 -1.616
452 3HD2 LEU 55 3HD2 LEU 55 2.561 -1.587 -0.873
453 H ILE 56 H ILE 56 5.738 -2.876 -0.253
454 HA ILE 56 HA ILE 56 7.488 -4.610 -1.858
455 HB ILE 56 HB ILE 56 7.917 -3.496 0.913
456 1HG1 ILE 56 2HG1 ILE 56 9.993 -2.579 -0.454
457 2HG1 ILE 56 1HG1 ILE 56 8.897 -2.782 -1.816
458 1HG2 ILE 56 1HG2 ILE 56 8.827 -5.766 0.681
459 2HG2 ILE 56 2HG2 ILE 56 10.099 -4.555 0.853
460 3HG2 ILE 56 3HG2 ILE 56 9.743 -5.242 -0.733
461 1HD1 ILE 56 1HD1 ILE 56 8.602 -0.995 0.569
462 2HD1 ILE 56 2HD1 ILE 56 7.235 -1.409 -0.466
463 3HD1 ILE 56 3HD1 ILE 56 8.629 -0.565 -1.141
464 H SER 57 H SER 57 6.903 -6.664 -1.873
465 HA SER 57 HA SER 57 5.335 -7.750 0.330
466 1HB SER 57 2HB SER 57 6.106 -9.425 -2.011
467 2HB SER 57 1HB SER 57 4.579 -9.355 -1.125
468 HG SER 57 HG SER 57 4.736 -8.400 -3.363
469 H ILE 58 H ILE 58 6.319 -8.696 1.953
470 HA ILE 58 HA ILE 58 9.026 -9.747 1.580
471 HB ILE 58 HB ILE 58 7.545 -9.048 4.114
472 1HG1 ILE 58 2HG1 ILE 58 10.049 -7.736 3.104
473 2HG1 ILE 58 1HG1 ILE 58 8.480 -7.240 2.478
474 1HG2 ILE 58 1HG2 ILE 58 10.141 -10.418 3.627
475 2HG2 ILE 58 2HG2 ILE 58 8.936 -10.692 4.886
476 3HG2 ILE 58 3HG2 ILE 58 10.017 -9.302 4.988
477 1HD1 ILE 58 1HD1 ILE 58 9.765 -6.400 4.833
478 2HD1 ILE 58 2HD1 ILE 58 8.347 -7.330 5.319
479 3HD1 ILE 58 3HD1 ILE 58 8.168 -5.948 4.239
480 H GLN 59 H GLN 59 9.243 -11.822 1.271
481 HA GLN 59 HA GLN 59 7.193 -13.703 2.118
482 1HB GLN 59 2HB GLN 59 9.257 -13.624 0.064
483 2HB GLN 59 1HB GLN 59 9.249 -15.151 0.936
484 1HG GLN 59 2HG GLN 59 6.738 -13.973 -0.198
485 2HG GLN 59 1HG GLN 59 7.824 -14.970 -1.168
486 1HE2 GLN 59 1HE2 GLN 59 8.571 -16.965 0.354
487 2HE2 GLN 59 2HE2 GLN 59 7.228 -17.879 0.945
488 H GLN 60 H GLN 60 8.454 -15.979 2.691
489 HA GLN 60 HA GLN 60 9.289 -15.657 5.344
490 1HB GLN 60 2HB GLN 60 9.791 -18.014 5.323
491 2HB GLN 60 1HB GLN 60 8.323 -17.741 4.394
492 1HG GLN 60 2HG GLN 60 9.865 -17.710 2.346
493 2HG GLN 60 1HG GLN 60 11.063 -18.437 3.414
494 1HE2 GLN 60 1HE2 GLN 60 8.299 -18.951 1.499
495 2HE2 GLN 60 2HE2 GLN 60 8.086 -20.632 1.838
496 H TYR 61 H TYR 61 11.071 -15.477 2.384
497 HA TYR 61 HA TYR 61 13.616 -15.642 3.842
498 1HB TYR 61 2HB TYR 61 14.451 -15.460 1.315
499 2HB TYR 61 1HB TYR 61 13.977 -16.991 2.039
500 HD1 TYR 61 1HD TYR 61 12.806 -14.239 -0.146
501 HD2 TYR 61 2HD TYR 61 12.152 -18.225 1.190
502 HE1 TYR 61 1HE TYR 61 11.135 -14.553 -1.922
503 HE2 TYR 61 2HE TYR 61 10.479 -18.551 -0.582
504 HH TYR 61 HH TYR 61 9.894 -16.087 -3.034
505 H GLY 62 H GLY 62 11.561 -13.321 3.516
506 1HA GLY 62 2HA GLY 62 12.187 -11.059 4.003
507 2HA GLY 62 1HA GLY 62 13.639 -11.292 3.042
508 H HIS 63 H HIS 63 12.677 -9.112 2.315
509 HA HIS 63 HA HIS 63 10.420 -8.861 0.748
510 1HB HIS 63 2HB HIS 63 11.445 -6.901 -0.219
511 2HB HIS 63 1HB HIS 63 11.876 -6.986 1.484
512 HD2 HIS 63 2HD HIS 63 14.491 -8.880 1.316
513 HE1 HIS 63 1HE HIS 63 15.864 -6.018 -1.482
514 HE2 HIS 63 2HE HIS 63 16.559 -7.795 0.186
515 H GLN 64 H GLN 64 10.258 -8.600 -1.628
516 HA GLN 64 HA GLN 64 12.164 -9.828 -3.348
517 1HB GLN 64 2HB GLN 64 10.767 -11.783 -3.997
518 2HB GLN 64 1HB GLN 64 11.393 -11.882 -2.357
519 1HG GLN 64 2HG GLN 64 9.351 -12.018 -1.501
520 2HG GLN 64 1HG GLN 64 8.813 -10.600 -2.400
521 1HE2 GLN 64 1HE2 GLN 64 7.226 -12.855 -1.874
522 2HE2 GLN 64 2HE2 GLN 64 6.845 -13.611 -3.380
523 H GLU 65 H GLU 65 9.098 -8.382 -2.740
524 HA GLU 65 HA GLU 65 8.781 -7.851 -5.625
525 1HB GLU 65 2HB GLU 65 7.028 -9.247 -4.029
526 2HB GLU 65 1HB GLU 65 6.355 -7.624 -3.997
527 1HG GLU 65 2HG GLU 65 7.040 -8.223 -6.680
528 2HG GLU 65 1HG GLU 65 6.153 -9.597 -6.024
529 H VAL 66 H VAL 66 8.773 -5.754 -6.206
530 HA VAL 66 HA VAL 66 8.073 -3.736 -4.187
531 HB VAL 66 HB VAL 66 10.466 -3.515 -6.017
532 1HG1 VAL 66 1HG1 VAL 66 9.125 -1.640 -4.116
533 2HG1 VAL 66 2HG1 VAL 66 9.783 -1.331 -5.724
534 3HG1 VAL 66 3HG1 VAL 66 10.871 -1.542 -4.353
535 1HG2 VAL 66 1HG2 VAL 66 11.852 -3.979 -4.220
536 2HG2 VAL 66 2HG2 VAL 66 10.526 -5.117 -3.972
537 3HG2 VAL 66 3HG2 VAL 66 10.599 -3.628 -3.030
538 H THR 67 H THR 67 6.799 -2.127 -4.901
539 HA THR 67 HA THR 67 6.582 -1.636 -7.787
540 HB THR 67 HB THR 67 4.100 -1.768 -6.091
541 HG1 THR 67 1HG THR 67 4.465 -3.898 -7.762
542 1HG2 THR 67 1HG2 THR 67 2.947 -1.560 -8.054
543 2HG2 THR 67 2HG2 THR 67 4.193 -2.375 -8.999
544 3HG2 THR 67 3HG2 THR 67 4.417 -0.696 -8.506
545 H ARG 68 H ARG 68 6.760 0.484 -8.206
546 HA ARG 68 HA ARG 68 6.406 2.378 -6.001
547 1HB ARG 68 2HB ARG 68 7.507 3.095 -8.699
548 2HB ARG 68 1HB ARG 68 7.823 3.847 -7.140
549 1HG ARG 68 2HG ARG 68 9.398 2.312 -6.561
550 2HG ARG 68 1HG ARG 68 8.645 1.021 -7.498
551 1HD ARG 68 2HD ARG 68 9.741 3.316 -9.012
552 2HD ARG 68 1HD ARG 68 10.905 2.237 -8.244
553 HE ARG 68 HE ARG 68 8.885 0.870 -9.768
554 1HH1 ARG 68 1HH1 ARG 68 11.989 2.449 -9.895
555 2HH1 ARG 68 2HH1 ARG 68 12.509 1.592 -11.308
556 1HH2 ARG 68 1HH2 ARG 68 9.565 -0.265 -11.625
557 2HH2 ARG 68 2HH2 ARG 68 11.133 0.050 -12.290
558 H PHE 69 H PHE 69 4.874 3.919 -5.955
559 HA PHE 69 HA PHE 69 3.444 4.715 -8.334
560 1HB PHE 69 2HB PHE 69 1.202 4.194 -7.148
561 2HB PHE 69 1HB PHE 69 2.042 2.889 -7.976
562 HD1 PHE 69 1HD PHE 69 1.919 0.887 -6.887
563 HD2 PHE 69 2HD PHE 69 2.202 4.454 -4.581
564 HE1 PHE 69 1HE PHE 69 1.870 -0.448 -4.821
565 HE2 PHE 69 2HE PHE 69 2.158 3.124 -2.511
566 HZ PHE 69 HZ PHE 69 1.990 0.669 -2.630
567 H ASP 70 H ASP 70 1.943 6.481 -7.953
568 HA ASP 70 HA ASP 70 2.670 8.041 -5.561
569 1HB ASP 70 2HB ASP 70 1.604 9.086 -8.197
570 2HB ASP 70 1HB ASP 70 2.208 10.044 -6.847
571 H PHE 71 H PHE 71 1.056 8.680 -4.186
572 HA PHE 71 HA PHE 71 -1.701 8.600 -5.099
573 1HB PHE 71 2HB PHE 71 -2.438 6.840 -3.831
574 2HB PHE 71 1HB PHE 71 -0.811 6.282 -4.206
575 HD1 PHE 71 1HD PHE 71 1.032 6.890 -2.465
576 HD2 PHE 71 2HD PHE 71 -3.144 6.907 -1.635
577 HE1 PHE 71 1HE PHE 71 1.510 6.681 -0.062
578 HE2 PHE 71 2HE PHE 71 -2.671 6.697 0.768
579 HZ PHE 71 HZ PHE 71 -0.341 6.586 1.559
580 H THR 72 H THR 72 -3.142 9.745 -3.865
581 HA THR 72 HA THR 72 -2.335 10.900 -1.336
582 HB THR 72 HB THR 72 -2.221 13.088 -1.909
583 HG1 THR 72 1HG THR 72 -3.717 14.064 -3.153
584 1HG2 THR 72 1HG2 THR 72 -1.965 12.391 -4.796
585 2HG2 THR 72 2HG2 THR 72 -0.817 11.690 -3.656
586 3HG2 THR 72 3HG2 THR 72 -0.962 13.442 -3.797
587 H THR 73 H THR 73 -4.129 11.607 -0.087
588 HA THR 73 HA THR 73 -6.567 10.262 -0.700
589 HB THR 73 HB THR 73 -5.660 10.769 1.639
590 HG1 THR 73 1HG THR 73 -7.744 9.921 1.339
591 1HG2 THR 73 1HG2 THR 73 -5.957 12.831 2.620
592 2HG2 THR 73 2HG2 THR 73 -7.226 13.305 1.491
593 3HG2 THR 73 3HG2 THR 73 -5.540 13.308 0.974
594 H THR 74 H THR 74 -8.561 11.091 -1.292
595 HA THR 74 HA THR 74 -10.042 12.468 -2.334
596 HB THR 74 HB THR 74 -8.351 14.732 -1.334
597 HG1 THR 74 1HG THR 74 -9.252 13.157 0.265
598 1HG2 THR 74 1HG2 THR 74 -10.324 16.088 -1.566
599 2HG2 THR 74 2HG2 THR 74 -11.277 14.683 -2.045
600 3HG2 THR 74 3HG2 THR 74 -10.006 15.289 -3.106
601 H SER 75 H SER 75 -7.292 14.639 -2.753
602 HA SER 75 HA SER 75 -7.712 14.805 -5.571
603 1HB SER 75 2HB SER 75 -6.800 16.640 -4.063
604 2HB SER 75 1HB SER 75 -5.274 15.756 -4.059
605 HG SER 75 HG SER 75 -4.929 16.900 -5.797
606 H THR 76 H THR 76 -5.362 14.794 -6.820
607 HA THR 76 HA THR 76 -3.846 12.404 -6.224
608 HB THR 76 HB THR 76 -4.625 12.189 -8.990
609 HG1 THR 76 1HG THR 76 -6.835 11.360 -7.735
610 1HG2 THR 76 1HG2 THR 76 -4.637 9.953 -8.519
611 2HG2 THR 76 2HG2 THR 76 -5.405 10.176 -6.947
612 3HG2 THR 76 3HG2 THR 76 -3.686 10.519 -7.145
613 H SER 77 H SER 77 -2.262 12.008 -8.181
614 HA SER 77 HA SER 77 -1.093 14.629 -8.791
615 1HB SER 77 2HB SER 77 0.506 12.217 -9.354
616 2HB SER 77 1HB SER 77 0.957 13.702 -8.517
617 HG SER 77 HG SER 77 0.402 11.375 -7.441
618 H THR 78 H THR 78 -2.381 11.752 -10.267
619 HA THR 78 HA THR 78 -2.331 13.069 -12.855
620 HB THR 78 HB THR 78 -1.585 10.524 -13.609
621 HG1 THR 78 1HG THR 78 -0.918 10.158 -11.390
622 1HG2 THR 78 1HG2 THR 78 -0.518 12.020 -14.901
623 2HG2 THR 78 2HG2 THR 78 0.773 11.911 -13.706
624 3HG2 THR 78 3HG2 THR 78 -0.416 13.208 -13.602
625 HA PRO 79 HA PRO 79 -6.248 10.962 -12.912
626 1HB PRO 79 2HB PRO 79 -7.126 11.802 -15.301
627 2HB PRO 79 1HB PRO 79 -6.973 12.910 -13.932
628 1HG PRO 79 2HG PRO 79 -5.152 12.525 -16.271
629 2HG PRO 79 1HG PRO 79 -5.656 14.027 -15.478
630 1HD PRO 79 2HD PRO 79 -3.253 12.755 -15.028
631 2HD PRO 79 1HD PRO 79 -4.032 13.863 -13.881
632 H GLY 80 H GLY 80 -5.833 8.777 -13.024
633 1HA GLY 80 2HA GLY 80 -5.840 7.633 -15.715
634 2HA GLY 80 1HA GLY 80 -4.507 7.188 -14.662
635 H SER 81 H SER 81 -5.155 5.002 -14.770
636 HA SER 81 HA SER 81 -7.666 4.372 -13.376
637 1HB SER 81 2HB SER 81 -7.025 3.449 -15.757
638 2HB SER 81 1HB SER 81 -6.062 2.301 -14.827
639 HG SER 81 HG SER 81 -8.000 1.767 -13.689
640 H ARG 82 H ARG 82 -4.710 4.966 -12.469
641 HA ARG 82 HA ARG 82 -4.219 2.557 -10.896
642 1HB ARG 82 2HB ARG 82 -2.555 5.060 -10.798
643 2HB ARG 82 1HB ARG 82 -2.072 3.405 -10.455
644 1HG ARG 82 2HG ARG 82 -2.588 2.985 -12.952
645 2HG ARG 82 1HG ARG 82 -2.485 4.743 -13.095
646 1HD ARG 82 2HD ARG 82 -0.239 4.766 -12.363
647 2HD ARG 82 1HD ARG 82 -0.327 3.097 -11.802
648 HE ARG 82 HE ARG 82 -0.755 2.735 -14.380
649 1HH1 ARG 82 1HH1 ARG 82 1.554 4.817 -12.802
650 2HH1 ARG 82 2HH1 ARG 82 2.712 4.720 -14.088
651 1HH2 ARG 82 1HH2 ARG 82 0.760 2.606 -16.075
652 2HH2 ARG 82 2HH2 ARG 82 2.259 3.463 -15.950
653 H SER 83 H SER 83 -6.482 4.475 -10.435
654 HA SER 83 HA SER 83 -5.812 5.381 -7.720
655 1HB SER 83 2HB SER 83 -8.096 6.169 -9.545
656 2HB SER 83 1HB SER 83 -7.869 6.771 -7.903
657 HG SER 83 HG SER 83 -6.890 8.269 -9.118
658 H HIS 84 H HIS 84 -8.197 5.497 -6.500
659 HA HIS 84 HA HIS 84 -8.785 2.700 -6.042
660 1HB HIS 84 2HB HIS 84 -9.516 5.262 -4.648
661 2HB HIS 84 1HB HIS 84 -10.335 3.756 -4.248
662 HD2 HIS 84 2HD HIS 84 -7.450 5.712 -3.035
663 HE1 HIS 84 1HE HIS 84 -6.491 1.675 -2.199
664 HE2 HIS 84 2HE HIS 84 -6.005 4.094 -1.611
665 H HIS 85 H HIS 85 -9.675 2.727 -8.369
666 HA HIS 85 HA HIS 85 -12.190 3.909 -8.897
667 1HB HIS 85 2HB HIS 85 -10.458 1.881 -10.192
668 2HB HIS 85 1HB HIS 85 -12.169 1.818 -10.604
669 HD2 HIS 85 2HD HIS 85 -9.021 3.781 -11.462
670 HE1 HIS 85 1HE HIS 85 -12.309 5.819 -13.178
671 HE2 HIS 85 2HE HIS 85 -9.784 5.755 -12.962
672 H HIS 86 H HIS 86 -14.170 2.596 -9.412
673 HA HIS 86 HA HIS 86 -15.926 1.369 -8.653
674 1HB HIS 86 2HB HIS 86 -13.851 -0.395 -9.155
675 2HB HIS 86 1HB HIS 86 -14.383 -0.845 -7.539
676 HD2 HIS 86 2HD HIS 86 -15.933 -2.990 -7.935
677 HE1 HIS 86 1HE HIS 86 -18.220 -1.419 -11.131
678 HE2 HIS 86 2HE HIS 86 -17.799 -3.453 -9.678
679 H HIS 87 H HIS 87 -16.268 2.957 -6.975
680 HA HIS 87 HA HIS 87 -15.436 2.111 -4.292
681 1HB HIS 87 2HB HIS 87 -16.373 4.425 -3.668
682 2HB HIS 87 1HB HIS 87 -14.871 4.371 -4.586
683 HD2 HIS 87 2HD HIS 87 -14.992 5.369 -7.166
684 HE1 HIS 87 1HE HIS 87 -18.987 6.729 -6.850
685 HE2 HIS 87 2HE HIS 87 -16.941 6.618 -8.340
686 H HIS 88 H HIS 88 -17.158 0.354 -4.908
687 HA HIS 88 HA HIS 88 -19.775 1.281 -3.919
688 1HB HIS 88 2HB HIS 88 -19.031 -0.612 -6.080
689 2HB HIS 88 1HB HIS 88 -20.415 -1.054 -5.089
690 HD2 HIS 88 2HD HIS 88 -19.984 0.504 -8.302
691 HE1 HIS 88 1HE HIS 88 -23.065 2.786 -6.509
692 HE2 HIS 88 2HE HIS 88 -21.781 2.343 -8.650
693 H HIS 89 H HIS 89 -20.940 -0.148 -2.523
694 HA HIS 89 HA HIS 89 -19.178 -1.623 -0.748
695 1HB HIS 89 2HB HIS 89 -21.635 -0.184 -0.472
696 2HB HIS 89 1HB HIS 89 -21.885 -1.833 0.092
697 HD2 HIS 89 2HD HIS 89 -20.992 -2.331 2.581
698 HE1 HIS 89 1HE HIS 89 -18.668 1.181 3.005
699 HE2 HIS 89 2HE HIS 89 -19.402 -0.976 4.120
Start of MODEL 26
1 1H MET 1 1HT MET 1 -15.527 -8.308 -25.688
2 2H MET 1 2HT MET 1 -14.847 -9.161 -24.396
3 3H MET 1 3HT MET 1 -15.045 -9.916 -25.896
4 HA MET 1 HA MET 1 -13.429 -8.502 -26.913
5 1HB MET 1 2HB MET 1 -13.901 -7.010 -24.427
6 2HB MET 1 1HB MET 1 -12.207 -7.111 -24.885
7 1HG MET 1 2HG MET 1 -14.443 -6.075 -26.609
8 2HG MET 1 1HG MET 1 -13.246 -5.099 -25.760
9 1HE MET 1 1HE MET 1 -9.957 -5.871 -27.617
10 2HE MET 1 2HE MET 1 -10.615 -6.182 -26.010
11 3HE MET 1 3HE MET 1 -10.798 -4.589 -26.745
12 H ARG 2 H ARG 2 -10.974 -8.125 -25.614
13 HA ARG 2 HA ARG 2 -10.385 -10.868 -24.716
14 1HB ARG 2 2HB ARG 2 -8.368 -9.013 -25.956
15 2HB ARG 2 1HB ARG 2 -8.289 -10.761 -25.790
16 1HG ARG 2 2HG ARG 2 -10.499 -9.651 -27.419
17 2HG ARG 2 1HG ARG 2 -8.867 -9.572 -28.086
18 1HD ARG 2 2HD ARG 2 -8.815 -12.095 -27.294
19 2HD ARG 2 1HD ARG 2 -10.563 -11.935 -27.468
20 HE ARG 2 HE ARG 2 -9.171 -10.965 -29.759
21 1HH1 ARG 2 1HH1 ARG 2 -10.274 -13.869 -28.182
22 2HH1 ARG 2 2HH1 ARG 2 -10.375 -14.782 -29.650
23 1HH2 ARG 2 1HH2 ARG 2 -9.298 -12.160 -31.698
24 2HH2 ARG 2 2HH2 ARG 2 -9.817 -13.811 -31.648
25 H GLY 3 H GLY 3 -10.447 -10.666 -22.527
26 1HA GLY 3 2HA GLY 3 -8.605 -8.677 -21.346
27 2HA GLY 3 1HA GLY 3 -10.124 -9.137 -20.592
28 H SER 4 H SER 4 -8.385 -9.433 -18.833
29 HA SER 4 HA SER 4 -7.865 -12.285 -18.660
30 1HB SER 4 2HB SER 4 -5.792 -10.467 -19.348
31 2HB SER 4 1HB SER 4 -5.502 -10.990 -17.689
32 HG SER 4 HG SER 4 -4.579 -12.364 -19.347
33 H ASN 5 H ASN 5 -6.498 -9.582 -16.821
34 HA ASN 5 HA ASN 5 -6.585 -9.061 -14.608
35 1HB ASN 5 2HB ASN 5 -9.434 -9.656 -15.313
36 2HB ASN 5 1HB ASN 5 -9.013 -9.307 -13.641
37 1HD2 ASN 5 1HD2 ASN 5 -10.712 -7.626 -14.678
38 2HD2 ASN 5 2HD2 ASN 5 -9.978 -6.122 -15.105
39 H ALA 6 H ALA 6 -5.194 -10.975 -14.258
40 HA ALA 6 HA ALA 6 -6.563 -13.190 -12.907
41 1HB ALA 6 1HB ALA 6 -4.736 -13.412 -14.790
42 2HB ALA 6 2HB ALA 6 -4.802 -14.549 -13.443
43 3HB ALA 6 3HB ALA 6 -3.633 -13.230 -13.425
44 HA PRO 7 HA PRO 7 -5.033 -11.476 -9.084
45 1HB PRO 7 2HB PRO 7 -6.339 -13.144 -7.425
46 2HB PRO 7 1HB PRO 7 -7.170 -11.878 -8.331
47 1HG PRO 7 2HG PRO 7 -7.165 -14.800 -8.754
48 2HG PRO 7 1HG PRO 7 -8.387 -13.600 -9.198
49 1HD PRO 7 2HD PRO 7 -6.407 -14.779 -10.878
50 2HD PRO 7 1HD PRO 7 -7.567 -13.506 -11.300
51 H GLN 8 H GLN 8 -4.226 -12.547 -6.912
52 HA GLN 8 HA GLN 8 -1.959 -14.173 -7.642
53 1HB GLN 8 2HB GLN 8 -2.309 -13.812 -4.795
54 2HB GLN 8 1HB GLN 8 -0.987 -13.303 -5.831
55 1HG GLN 8 2HG GLN 8 -2.314 -11.323 -6.484
56 2HG GLN 8 1HG GLN 8 -3.559 -11.820 -5.339
57 1HE2 GLN 8 1HE2 GLN 8 -3.313 -9.900 -4.176
58 2HE2 GLN 8 2HE2 GLN 8 -1.959 -9.631 -3.139
59 HA PRO 9 HA PRO 9 -3.957 -18.059 -6.813
60 1HB PRO 9 2HB PRO 9 -1.659 -19.554 -6.583
61 2HB PRO 9 1HB PRO 9 -2.411 -19.117 -8.120
62 1HG PRO 9 2HG PRO 9 -0.096 -17.851 -6.714
63 2HG PRO 9 1HG PRO 9 -0.317 -18.180 -8.443
64 1HD PRO 9 2HD PRO 9 -0.661 -15.720 -7.412
65 2HD PRO 9 1HD PRO 9 -1.653 -16.318 -8.757
66 H SER 10 H SER 10 -1.197 -16.975 -4.875
67 HA SER 10 HA SER 10 -2.518 -18.110 -2.502
68 1HB SER 10 2HB SER 10 0.181 -18.612 -3.531
69 2HB SER 10 1HB SER 10 0.158 -18.120 -1.837
70 HG SER 10 HG SER 10 -1.794 -19.906 -2.300
71 H HIS 11 H HIS 11 -1.101 -17.151 -0.487
72 HA HIS 11 HA HIS 11 -1.064 -14.233 -0.901
73 1HB HIS 11 2HB HIS 11 -1.826 -15.687 1.639
74 2HB HIS 11 1HB HIS 11 -1.893 -13.949 1.360
75 HD2 HIS 11 2HD HIS 11 -4.093 -13.030 -0.024
76 HE1 HIS 11 1HE HIS 11 -5.979 -16.809 -0.308
77 HE2 HIS 11 2HE HIS 11 -6.200 -14.330 -0.799
78 H ILE 12 H ILE 12 0.579 -13.052 0.004
79 HA ILE 12 HA ILE 12 2.989 -14.494 0.646
80 HB ILE 12 HB ILE 12 3.184 -12.512 -0.718
81 1HG1 ILE 12 2HG1 ILE 12 4.349 -11.384 1.750
82 2HG1 ILE 12 1HG1 ILE 12 4.778 -13.063 1.425
83 1HG2 ILE 12 1HG2 ILE 12 2.693 -10.421 1.145
84 2HG2 ILE 12 2HG2 ILE 12 1.269 -11.459 1.075
85 3HG2 ILE 12 3HG2 ILE 12 1.904 -10.733 -0.400
86 1HD1 ILE 12 1HD1 ILE 12 5.030 -11.516 -0.968
87 2HD1 ILE 12 2HD1 ILE 12 6.256 -12.436 -0.095
88 3HD1 ILE 12 3HD1 ILE 12 5.929 -10.760 0.345
89 H SER 13 H SER 13 4.248 -14.162 2.574
90 HA SER 13 HA SER 13 2.926 -14.582 4.949
91 1HB SER 13 2HB SER 13 5.681 -13.637 4.270
92 2HB SER 13 1HB SER 13 5.160 -13.582 5.954
93 HG SER 13 HG SER 13 4.482 -15.887 5.459
94 H LYS 14 H LYS 14 4.332 -11.490 3.831
95 HA LYS 14 HA LYS 14 2.180 -10.032 5.062
96 1HB LYS 14 2HB LYS 14 4.202 -8.632 6.238
97 2HB LYS 14 1HB LYS 14 3.184 -9.808 7.057
98 1HG LYS 14 2HG LYS 14 4.924 -11.109 7.467
99 2HG LYS 14 1HG LYS 14 5.362 -11.143 5.758
100 1HD LYS 14 2HD LYS 14 7.179 -9.974 6.303
101 2HD LYS 14 1HD LYS 14 6.109 -8.607 6.620
102 1HE LYS 14 2HE LYS 14 7.042 -10.675 8.607
103 2HE LYS 14 1HE LYS 14 7.541 -8.986 8.531
104 1HZ LYS 14 1HZ LYS 14 5.732 -9.680 10.202
105 2HZ LYS 14 2HZ LYS 14 4.696 -9.679 8.866
106 3HZ LYS 14 3HZ LYS 14 5.507 -8.261 9.307
107 H TYR 15 H TYR 15 1.968 -7.962 4.319
108 HA TYR 15 HA TYR 15 3.719 -7.208 2.083
109 1HB TYR 15 2HB TYR 15 0.833 -7.006 2.607
110 2HB TYR 15 1HB TYR 15 1.539 -5.530 1.963
111 HD1 TYR 15 1HD TYR 15 3.346 -6.189 -0.043
112 HD2 TYR 15 2HD TYR 15 -0.187 -8.306 1.021
113 HE1 TYR 15 1HE TYR 15 3.226 -7.120 -2.315
114 HE2 TYR 15 2HE TYR 15 -0.314 -9.246 -1.246
115 HH TYR 15 HH TYR 15 0.475 -8.723 -3.506
116 H ILE 16 H ILE 16 4.781 -5.259 2.097
117 HA ILE 16 HA ILE 16 4.445 -3.597 4.491
118 HB ILE 16 HB ILE 16 6.777 -4.779 3.347
119 1HG1 ILE 16 2HG1 ILE 16 5.999 -4.433 5.770
120 2HG1 ILE 16 1HG1 ILE 16 7.713 -4.278 5.422
121 1HG2 ILE 16 1HG2 ILE 16 7.037 -2.801 1.988
122 2HG2 ILE 16 2HG2 ILE 16 8.266 -2.835 3.251
123 3HG2 ILE 16 3HG2 ILE 16 6.871 -1.767 3.409
124 1HD1 ILE 16 1HD1 ILE 16 6.098 -2.461 6.763
125 2HD1 ILE 16 2HD1 ILE 16 6.377 -1.733 5.182
126 3HD1 ILE 16 3HD1 ILE 16 7.745 -2.196 6.193
127 H LEU 17 H LEU 17 4.295 -1.393 4.277
128 HA LEU 17 HA LEU 17 4.241 -0.317 1.542
129 1HB LEU 17 2HB LEU 17 1.982 -0.779 2.990
130 2HB LEU 17 1HB LEU 17 2.343 0.877 3.446
131 HG LEU 17 HG LEU 17 2.458 0.330 0.552
132 1HD1 LEU 17 1HD1 LEU 17 0.166 0.107 0.175
133 2HD1 LEU 17 2HD1 LEU 17 -0.246 0.542 1.834
134 3HD1 LEU 17 3HD1 LEU 17 0.490 -1.024 1.489
135 1HD2 LEU 17 1HD2 LEU 17 2.726 2.562 1.144
136 2HD2 LEU 17 2HD2 LEU 17 1.468 2.487 2.378
137 3HD2 LEU 17 3HD2 LEU 17 1.030 2.470 0.669
138 H ARG 18 H ARG 18 5.721 1.207 1.370
139 HA ARG 18 HA ARG 18 6.225 2.951 3.685
140 1HB ARG 18 2HB ARG 18 8.120 1.840 1.626
141 2HB ARG 18 1HB ARG 18 8.533 3.237 2.613
142 1HG ARG 18 2HG ARG 18 9.098 1.941 4.317
143 2HG ARG 18 1HG ARG 18 7.540 1.112 4.266
144 1HD ARG 18 2HD ARG 18 9.458 -0.415 3.965
145 2HD ARG 18 1HD ARG 18 8.353 -0.417 2.590
146 HE ARG 18 HE ARG 18 10.094 1.283 1.673
147 1HH1 ARG 18 1HH1 ARG 18 10.754 -1.560 3.578
148 2HH1 ARG 18 2HH1 ARG 18 12.326 -1.810 2.895
149 1HH2 ARG 18 1HH2 ARG 18 12.162 0.964 0.769
150 2HH2 ARG 18 2HH2 ARG 18 13.126 -0.375 1.298
151 H TRP 19 H TRP 19 5.928 5.088 3.388
152 HA TRP 19 HA TRP 19 6.158 6.240 0.736
153 1HB TRP 19 2HB TRP 19 3.939 7.076 0.569
154 2HB TRP 19 1HB TRP 19 3.802 5.360 0.933
155 HD1 TRP 19 HD TRP 19 2.770 8.736 2.183
156 HE1 TRP 19 1HE TRP 19 1.413 8.484 4.356
157 HE3 TRP 19 3HE TRP 19 3.699 3.803 3.158
158 HZ2 TRP 19 2HZ TRP 19 0.819 6.467 6.235
159 HZ3 TRP 19 3HZ TRP 19 2.697 2.789 5.165
160 HH2 TRP 19 HH TRP 19 1.287 4.096 6.670
161 H ARG 20 H ARG 20 6.027 8.564 0.711
162 HA ARG 20 HA ARG 20 5.996 10.035 3.180
163 1HB ARG 20 2HB ARG 20 8.256 10.774 3.202
164 2HB ARG 20 1HB ARG 20 8.317 9.024 3.056
165 1HG ARG 20 2HG ARG 20 9.533 9.197 1.216
166 2HG ARG 20 1HG ARG 20 8.269 10.157 0.442
167 1HD ARG 20 2HD ARG 20 9.289 12.133 0.913
168 2HD ARG 20 1HD ARG 20 9.980 11.539 2.422
169 HE ARG 20 HE ARG 20 11.115 10.433 -0.005
170 1HH1 ARG 20 1HH1 ARG 20 11.329 12.854 2.491
171 2HH1 ARG 20 2HH1 ARG 20 13.015 13.159 2.232
172 1HH2 ARG 20 1HH2 ARG 20 13.338 10.828 -0.355
173 2HH2 ARG 20 2HH2 ARG 20 14.156 12.008 0.615
174 HA PRO 21 HA PRO 21 4.671 13.315 0.538
175 1HB PRO 21 2HB PRO 21 6.083 15.473 1.540
176 2HB PRO 21 1HB PRO 21 4.578 14.848 2.219
177 1HG PRO 21 2HG PRO 21 7.395 14.365 3.086
178 2HG PRO 21 1HG PRO 21 5.939 14.603 4.071
179 1HD PRO 21 2HD PRO 21 6.995 12.164 3.683
180 2HD PRO 21 1HD PRO 21 5.238 12.412 3.790
181 H LYS 22 H LYS 22 5.340 13.223 -1.510
182 HA LYS 22 HA LYS 22 8.056 13.160 -2.312
183 1HB LYS 22 2HB LYS 22 5.731 12.462 -3.493
184 2HB LYS 22 1HB LYS 22 6.025 14.000 -4.292
185 1HG LYS 22 2HG LYS 22 8.408 13.016 -4.685
186 2HG LYS 22 1HG LYS 22 7.599 11.473 -4.405
187 1HD LYS 22 2HD LYS 22 5.894 12.771 -6.136
188 2HD LYS 22 1HD LYS 22 7.493 13.249 -6.712
189 1HE LYS 22 2HE LYS 22 7.165 10.398 -6.043
190 2HE LYS 22 1HE LYS 22 6.248 10.967 -7.437
191 1HZ LYS 22 1HZ LYS 22 8.343 11.871 -8.335
192 2HZ LYS 22 2HZ LYS 22 8.377 10.189 -8.160
193 3HZ LYS 22 3HZ LYS 22 9.183 11.172 -7.044
194 H ASN 23 H ASN 23 5.638 15.737 -2.190
195 HA ASN 23 HA ASN 23 7.563 17.641 -3.284
196 1HB ASN 23 2HB ASN 23 4.629 17.883 -2.614
197 2HB ASN 23 1HB ASN 23 5.612 19.233 -3.171
198 1HD2 ASN 23 1HD2 ASN 23 6.825 18.795 -5.238
199 2HD2 ASN 23 2HD2 ASN 23 5.965 17.956 -6.480
200 H SER 24 H SER 24 5.711 17.045 -0.329
201 HA SER 24 HA SER 24 6.935 19.316 1.000
202 1HB SER 24 2HB SER 24 4.738 17.414 1.609
203 2HB SER 24 1HB SER 24 5.609 18.080 2.989
204 HG SER 24 HG SER 24 3.801 19.364 2.331
205 H VAL 25 H VAL 25 7.995 19.032 3.120
206 HA VAL 25 HA VAL 25 9.919 16.849 2.971
207 HB VAL 25 HB VAL 25 10.622 19.250 3.339
208 1HG1 VAL 25 1HG1 VAL 25 10.498 20.114 5.636
209 2HG1 VAL 25 2HG1 VAL 25 9.490 18.738 6.088
210 3HG1 VAL 25 3HG1 VAL 25 8.902 19.916 4.913
211 1HG2 VAL 25 1HG2 VAL 25 11.485 17.310 5.479
212 2HG2 VAL 25 2HG2 VAL 25 12.408 18.672 4.843
213 3HG2 VAL 25 3HG2 VAL 25 12.059 17.286 3.810
214 H GLY 26 H GLY 26 10.338 15.414 4.690
215 1HA GLY 26 2HA GLY 26 9.170 15.383 7.191
216 2HA GLY 26 1HA GLY 26 8.021 14.590 6.123
217 H ARG 27 H ARG 27 8.178 12.530 6.842
218 HA ARG 27 HA ARG 27 10.721 11.173 6.327
219 1HB ARG 27 2HB ARG 27 9.123 10.523 8.790
220 2HB ARG 27 1HB ARG 27 10.780 10.072 8.409
221 1HG ARG 27 2HG ARG 27 11.431 11.785 9.658
222 2HG ARG 27 1HG ARG 27 10.796 12.851 8.400
223 1HD ARG 27 2HD ARG 27 8.668 11.899 10.089
224 2HD ARG 27 1HD ARG 27 9.938 12.642 11.061
225 HE ARG 27 HE ARG 27 9.677 14.620 9.573
226 1HH1 ARG 27 1HH1 ARG 27 7.068 12.338 9.937
227 2HH1 ARG 27 2HH1 ARG 27 5.836 13.490 9.537
228 1HH2 ARG 27 1HH2 ARG 27 8.062 16.138 9.044
229 2HH2 ARG 27 2HH2 ARG 27 6.402 15.647 9.028
230 H TRP 28 H TRP 28 10.434 8.751 6.344
231 HA TRP 28 HA TRP 28 8.206 8.085 4.672
232 1HB TRP 28 2HB TRP 28 10.426 6.397 5.841
233 2HB TRP 28 1HB TRP 28 9.212 5.784 4.722
234 HD1 TRP 28 HD TRP 28 12.122 8.317 4.837
235 HE1 TRP 28 1HE TRP 28 13.005 8.631 2.441
236 HE3 TRP 28 3HE TRP 28 8.658 5.522 2.319
237 HZ2 TRP 28 2HZ TRP 28 12.327 7.804 -0.170
238 HZ3 TRP 28 3HZ TRP 28 8.848 5.334 -0.128
239 HH2 TRP 28 HH TRP 28 10.645 6.454 -1.345
240 H LYS 29 H LYS 29 7.098 5.867 5.154
241 HA LYS 29 HA LYS 29 6.433 5.540 7.975
242 1HB LYS 29 2HB LYS 29 4.393 6.180 5.832
243 2HB LYS 29 1HB LYS 29 3.986 5.564 7.428
244 1HG LYS 29 2HG LYS 29 5.648 7.800 7.826
245 2HG LYS 29 1HG LYS 29 4.459 8.252 6.602
246 1HD LYS 29 2HD LYS 29 2.648 7.612 8.058
247 2HD LYS 29 1HD LYS 29 3.782 6.979 9.253
248 1HE LYS 29 2HE LYS 29 4.657 9.199 9.650
249 2HE LYS 29 1HE LYS 29 3.631 9.861 8.378
250 1HZ LYS 29 1HZ LYS 29 1.805 9.789 9.684
251 2HZ LYS 29 2HZ LYS 29 2.950 9.906 10.924
252 3HZ LYS 29 3HZ LYS 29 2.295 8.400 10.517
253 H GLU 30 H GLU 30 5.829 3.438 8.475
254 HA GLU 30 HA GLU 30 5.780 1.573 6.194
255 1HB GLU 30 2HB GLU 30 6.947 1.141 8.947
256 2HB GLU 30 1HB GLU 30 6.817 -0.100 7.706
257 1HG GLU 30 2HG GLU 30 8.914 0.515 7.228
258 2HG GLU 30 1HG GLU 30 8.124 1.814 6.333
259 H ALA 31 H ALA 31 4.210 0.121 6.063
260 HA ALA 31 HA ALA 31 2.487 -0.413 8.367
261 1HB ALA 31 1HB ALA 31 1.575 0.691 5.722
262 2HB ALA 31 2HB ALA 31 1.220 1.283 7.345
263 3HB ALA 31 3HB ALA 31 0.494 -0.219 6.776
264 H THR 32 H THR 32 2.080 -2.549 8.537
265 HA THR 32 HA THR 32 2.685 -4.209 6.185
266 HB THR 32 HB THR 32 2.761 -5.113 9.061
267 HG1 THR 32 1HG THR 32 5.190 -5.008 8.058
268 1HG2 THR 32 1HG2 THR 32 4.006 -7.007 8.174
269 2HG2 THR 32 2HG2 THR 32 3.913 -6.334 6.546
270 3HG2 THR 32 3HG2 THR 32 2.446 -6.882 7.361
271 H ILE 33 H ILE 33 1.299 -5.639 5.427
272 HA ILE 33 HA ILE 33 -1.108 -6.326 6.945
273 HB ILE 33 HB ILE 33 -1.482 -5.936 4.029
274 1HG1 ILE 33 2HG1 ILE 33 -2.122 -3.457 5.331
275 2HG1 ILE 33 1HG1 ILE 33 -0.417 -3.819 5.584
276 1HG2 ILE 33 1HG2 ILE 33 -3.587 -6.221 4.651
277 2HG2 ILE 33 2HG2 ILE 33 -3.505 -4.774 5.655
278 3HG2 ILE 33 3HG2 ILE 33 -3.070 -6.343 6.332
279 1HD1 ILE 33 1HD1 ILE 33 -1.756 -3.812 2.893
280 2HD1 ILE 33 2HD1 ILE 33 -0.029 -3.945 3.232
281 3HD1 ILE 33 3HD1 ILE 33 -0.885 -2.442 3.579
282 HA PRO 34 HA PRO 34 0.788 -10.212 5.581
283 1HB PRO 34 2HB PRO 34 -1.545 -11.305 7.044
284 2HB PRO 34 1HB PRO 34 0.169 -11.689 7.212
285 1HG PRO 34 2HG PRO 34 -1.091 -10.228 9.054
286 2HG PRO 34 1HG PRO 34 0.580 -9.864 8.580
287 1HD PRO 34 2HD PRO 34 -1.959 -8.487 7.793
288 2HD PRO 34 1HD PRO 34 -0.373 -7.791 8.182
289 H GLY 35 H GLY 35 0.452 -10.583 3.474
290 1HA GLY 35 2HA GLY 35 -0.583 -11.215 1.528
291 2HA GLY 35 1HA GLY 35 -1.705 -12.098 2.552
292 H HIS 36 H HIS 36 -3.755 -11.397 2.720
293 HA HIS 36 HA HIS 36 -4.495 -8.665 2.288
294 1HB HIS 36 2HB HIS 36 -4.275 -10.241 -0.011
295 2HB HIS 36 1HB HIS 36 -6.000 -10.202 0.341
296 HD2 HIS 36 2HD HIS 36 -7.237 -7.734 0.060
297 HE1 HIS 36 1HE HIS 36 -3.836 -5.816 -1.574
298 HE2 HIS 36 2HE HIS 36 -6.354 -5.706 -1.296
299 H LEU 37 H LEU 37 -5.544 -8.822 4.249
300 HA LEU 37 HA LEU 37 -7.494 -10.904 4.700
301 1HB LEU 37 2HB LEU 37 -7.960 -9.304 6.770
302 2HB LEU 37 1HB LEU 37 -6.639 -10.449 6.741
303 HG LEU 37 HG LEU 37 -6.119 -8.151 7.644
304 1HD1 LEU 37 1HD1 LEU 37 -4.487 -9.178 5.334
305 2HD1 LEU 37 2HD1 LEU 37 -4.358 -9.671 7.022
306 3HD1 LEU 37 3HD1 LEU 37 -3.926 -8.028 6.548
307 1HD2 LEU 37 1HD2 LEU 37 -5.620 -7.034 5.006
308 2HD2 LEU 37 2HD2 LEU 37 -6.338 -6.295 6.437
309 3HD2 LEU 37 3HD2 LEU 37 -7.336 -7.257 5.348
310 H ASN 38 H ASN 38 -7.452 -7.652 3.549
311 HA ASN 38 HA ASN 38 -10.017 -7.726 2.477
312 1HB ASN 38 2HB ASN 38 -11.136 -6.030 3.986
313 2HB ASN 38 1HB ASN 38 -10.964 -7.643 4.668
314 1HD2 ASN 38 1HD2 ASN 38 -9.542 -4.421 4.621
315 2HD2 ASN 38 2HD2 ASN 38 -8.861 -4.503 6.206
316 H SER 39 H SER 39 -10.791 -5.099 2.480
317 HA SER 39 HA SER 39 -8.765 -3.918 0.827
318 1HB SER 39 2HB SER 39 -10.520 -1.950 0.932
319 2HB SER 39 1HB SER 39 -10.874 -3.414 0.014
320 HG SER 39 HG SER 39 -12.559 -2.652 1.500
321 H TYR 40 H TYR 40 -7.019 -3.110 1.802
322 HA TYR 40 HA TYR 40 -7.384 -1.451 4.204
323 1HB TYR 40 2HB TYR 40 -5.807 -3.560 4.095
324 2HB TYR 40 1HB TYR 40 -4.700 -2.434 3.316
325 HD1 TYR 40 1HD TYR 40 -5.739 -3.761 6.396
326 HD2 TYR 40 2HD TYR 40 -4.370 -0.149 4.611
327 HE1 TYR 40 1HE TYR 40 -5.033 -2.943 8.606
328 HE2 TYR 40 2HE TYR 40 -3.659 0.678 6.814
329 HH TYR 40 HH TYR 40 -4.681 -0.414 9.607
330 H THR 41 H THR 41 -7.439 0.648 3.766
331 HA THR 41 HA THR 41 -5.628 1.693 1.689
332 HB THR 41 HB THR 41 -7.803 1.985 0.810
333 HG1 THR 41 1HG THR 41 -7.388 4.479 2.086
334 1HG2 THR 41 1HG2 THR 41 -9.208 1.546 2.668
335 2HG2 THR 41 2HG2 THR 41 -9.578 3.194 2.159
336 3HG2 THR 41 3HG2 THR 41 -8.561 2.914 3.573
337 H ILE 42 H ILE 42 -4.284 3.289 2.255
338 HA ILE 42 HA ILE 42 -4.302 4.184 5.026
339 HB ILE 42 HB ILE 42 -2.288 4.363 2.801
340 1HG1 ILE 42 2HG1 ILE 42 -1.681 3.467 5.576
341 2HG1 ILE 42 1HG1 ILE 42 -2.675 2.410 4.576
342 1HG2 ILE 42 1HG2 ILE 42 -0.851 5.521 4.621
343 2HG2 ILE 42 2HG2 ILE 42 -2.406 5.986 5.310
344 3HG2 ILE 42 3HG2 ILE 42 -1.983 6.487 3.673
345 1HD1 ILE 42 1HD1 ILE 42 -0.046 2.218 4.642
346 2HD1 ILE 42 2HD1 ILE 42 -0.171 3.465 3.400
347 3HD1 ILE 42 3HD1 ILE 42 -0.967 1.908 3.170
348 H LYS 43 H LYS 43 -5.046 6.098 5.658
349 HA LYS 43 HA LYS 43 -5.329 8.228 3.645
350 1HB LYS 43 2HB LYS 43 -7.460 6.975 4.691
351 2HB LYS 43 1HB LYS 43 -7.214 8.191 5.939
352 1HG LYS 43 2HG LYS 43 -7.120 9.842 3.929
353 2HG LYS 43 1HG LYS 43 -7.952 8.543 3.071
354 1HD LYS 43 2HD LYS 43 -9.060 9.159 5.717
355 2HD LYS 43 1HD LYS 43 -9.184 10.475 4.547
356 1HE LYS 43 2HE LYS 43 -9.954 7.716 3.719
357 2HE LYS 43 1HE LYS 43 -11.060 8.647 4.728
358 1HZ LYS 43 1HZ LYS 43 -10.756 8.806 1.985
359 2HZ LYS 43 2HZ LYS 43 -10.102 10.241 2.597
360 3HZ LYS 43 3HZ LYS 43 -11.694 9.813 2.972
361 H GLY 44 H GLY 44 -5.509 10.429 4.661
362 1HA GLY 44 2HA GLY 44 -5.058 11.542 6.919
363 2HA GLY 44 1HA GLY 44 -3.582 10.587 6.887
364 H LEU 45 H LEU 45 -3.698 11.087 3.825
365 HA LEU 45 HA LEU 45 -1.854 13.249 3.838
366 1HB LEU 45 2HB LEU 45 -3.160 12.459 1.284
367 2HB LEU 45 1HB LEU 45 -1.473 12.779 1.628
368 HG LEU 45 HG LEU 45 -3.003 10.240 2.189
369 1HD1 LEU 45 1HD1 LEU 45 -0.837 11.051 0.295
370 2HD1 LEU 45 2HD1 LEU 45 -2.345 10.195 -0.030
371 3HD1 LEU 45 3HD1 LEU 45 -1.021 9.369 0.792
372 1HD2 LEU 45 1HD2 LEU 45 -1.527 10.707 4.080
373 2HD2 LEU 45 2HD2 LEU 45 -0.171 10.926 2.972
374 3HD2 LEU 45 3HD2 LEU 45 -0.936 9.344 3.128
375 H LYS 46 H LYS 46 -2.099 15.242 2.559
376 HA LYS 46 HA LYS 46 -4.792 16.327 2.880
377 1HB LYS 46 2HB LYS 46 -2.946 17.424 4.133
378 2HB LYS 46 1HB LYS 46 -2.189 17.825 2.598
379 1HG LYS 46 2HG LYS 46 -4.841 18.751 2.453
380 2HG LYS 46 1HG LYS 46 -4.216 19.233 4.028
381 1HD LYS 46 2HD LYS 46 -2.738 19.701 1.453
382 2HD LYS 46 1HD LYS 46 -3.845 20.874 2.166
383 1HE LYS 46 2HE LYS 46 -2.246 20.242 4.286
384 2HE LYS 46 1HE LYS 46 -1.115 20.149 2.938
385 1HZ LYS 46 1HZ LYS 46 -2.004 22.427 4.226
386 2HZ LYS 46 2HZ LYS 46 -2.734 22.457 2.700
387 3HZ LYS 46 3HZ LYS 46 -1.051 22.347 2.830
388 HA PRO 47 HA PRO 47 -5.448 16.379 -1.510
389 1HB PRO 47 2HB PRO 47 -6.892 18.912 -0.887
390 2HB PRO 47 1HB PRO 47 -7.437 17.503 -1.804
391 1HG PRO 47 2HG PRO 47 -8.309 17.923 0.674
392 2HG PRO 47 1HG PRO 47 -7.934 16.285 0.105
393 1HD PRO 47 2HD PRO 47 -6.375 18.066 1.922
394 2HD PRO 47 1HD PRO 47 -6.559 16.301 1.954
395 H GLY 48 H GLY 48 -4.219 17.147 -3.118
396 1HA GLY 48 2HA GLY 48 -3.283 18.932 -4.403
397 2HA GLY 48 1HA GLY 48 -3.184 19.892 -2.935
398 H VAL 49 H VAL 49 -2.107 17.415 -1.539
399 HA VAL 49 HA VAL 49 0.683 17.877 -2.290
400 HB VAL 49 HB VAL 49 -0.176 16.239 0.073
401 1HG1 VAL 49 1HG1 VAL 49 1.943 16.559 0.851
402 2HG1 VAL 49 2HG1 VAL 49 2.107 18.137 0.079
403 3HG1 VAL 49 3HG1 VAL 49 2.259 16.665 -0.880
404 1HG2 VAL 49 1HG2 VAL 49 -0.575 19.122 -0.333
405 2HG2 VAL 49 2HG2 VAL 49 0.237 18.683 1.169
406 3HG2 VAL 49 3HG2 VAL 49 -1.351 18.015 0.799
407 H VAL 50 H VAL 50 1.704 16.465 -3.542
408 HA VAL 50 HA VAL 50 0.545 13.857 -4.045
409 HB VAL 50 HB VAL 50 3.110 14.945 -5.198
410 1HG1 VAL 50 1HG1 VAL 50 1.871 12.458 -5.395
411 2HG1 VAL 50 2HG1 VAL 50 3.166 13.084 -6.416
412 3HG1 VAL 50 3HG1 VAL 50 1.483 13.282 -6.905
413 1HG2 VAL 50 1HG2 VAL 50 0.934 15.156 -7.025
414 2HG2 VAL 50 2HG2 VAL 50 1.975 16.432 -6.395
415 3HG2 VAL 50 3HG2 VAL 50 0.501 15.991 -5.533
416 H TYR 51 H TYR 51 1.418 11.902 -3.502
417 HA TYR 51 HA TYR 51 3.812 11.957 -1.783
418 1HB TYR 51 2HB TYR 51 1.169 10.613 -1.403
419 2HB TYR 51 1HB TYR 51 2.614 9.817 -0.788
420 HD1 TYR 51 1HD TYR 51 3.305 10.301 1.364
421 HD2 TYR 51 2HD TYR 51 0.931 13.154 -0.716
422 HE1 TYR 51 1HE TYR 51 3.207 11.690 3.391
423 HE2 TYR 51 2HE TYR 51 0.829 14.552 1.304
424 HH TYR 51 HH TYR 51 1.290 13.634 4.200
425 H GLU 52 H GLU 52 4.974 9.893 -1.679
426 HA GLU 52 HA GLU 52 4.650 8.257 -4.097
427 1HB GLU 52 2HB GLU 52 7.014 8.229 -4.491
428 2HB GLU 52 1HB GLU 52 6.518 9.909 -4.350
429 1HG GLU 52 2HG GLU 52 7.830 10.265 -2.590
430 2HG GLU 52 1HG GLU 52 7.353 8.755 -1.814
431 H GLY 53 H GLY 53 4.709 6.103 -3.742
432 1HA GLY 53 2HA GLY 53 5.926 5.129 -1.263
433 2HA GLY 53 1HA GLY 53 4.220 4.813 -1.514
434 H GLN 54 H GLN 54 6.270 2.908 -1.152
435 HA GLN 54 HA GLN 54 5.997 1.412 -3.662
436 1HB GLN 54 2HB GLN 54 8.412 0.718 -2.196
437 2HB GLN 54 1HB GLN 54 8.211 1.093 -3.902
438 1HG GLN 54 2HG GLN 54 8.465 3.413 -3.514
439 2HG GLN 54 1HG GLN 54 8.335 3.202 -1.768
440 1HE2 GLN 54 1HE2 GLN 54 10.305 2.157 -4.521
441 2HE2 GLN 54 2HE2 GLN 54 11.813 2.190 -3.679
442 H LEU 55 H LEU 55 5.227 -0.607 -3.365
443 HA LEU 55 HA LEU 55 4.834 -1.466 -0.593
444 1HB LEU 55 2HB LEU 55 2.860 -1.281 -2.052
445 2HB LEU 55 1HB LEU 55 3.560 -2.463 -3.141
446 HG LEU 55 HG LEU 55 3.584 -3.926 -0.907
447 1HD1 LEU 55 1HD1 LEU 55 1.108 -3.295 -0.040
448 2HD1 LEU 55 2HD1 LEU 55 1.748 -1.687 -0.381
449 3HD1 LEU 55 3HD1 LEU 55 2.594 -2.754 0.741
450 1HD2 LEU 55 1HD2 LEU 55 1.698 -3.545 -3.120
451 2HD2 LEU 55 2HD2 LEU 55 1.032 -4.379 -1.715
452 3HD2 LEU 55 3HD2 LEU 55 2.467 -5.015 -2.518
453 H ILE 56 H ILE 56 6.472 -2.652 0.128
454 HA ILE 56 HA ILE 56 7.828 -4.545 -1.633
455 HB ILE 56 HB ILE 56 8.408 -3.660 1.198
456 1HG1 ILE 56 2HG1 ILE 56 10.601 -2.965 -0.026
457 2HG1 ILE 56 1HG1 ILE 56 9.637 -3.095 -1.493
458 1HG2 ILE 56 1HG2 ILE 56 9.596 -5.857 -0.442
459 2HG2 ILE 56 2HG2 ILE 56 9.155 -5.844 1.265
460 3HG2 ILE 56 3HG2 ILE 56 10.595 -4.982 0.719
461 1HD1 ILE 56 1HD1 ILE 56 9.600 -1.069 0.631
462 2HD1 ILE 56 2HD1 ILE 56 8.020 -1.561 0.024
463 3HD1 ILE 56 3HD1 ILE 56 9.233 -0.927 -1.088
464 H SER 57 H SER 57 7.699 -6.737 -1.417
465 HA SER 57 HA SER 57 5.721 -7.727 0.517
466 1HB SER 57 2HB SER 57 6.551 -9.254 -1.927
467 2HB SER 57 1HB SER 57 5.043 -9.350 -1.012
468 HG SER 57 HG SER 57 4.999 -6.952 -1.809
469 H ILE 58 H ILE 58 6.547 -8.703 2.148
470 HA ILE 58 HA ILE 58 9.175 -9.968 1.986
471 HB ILE 58 HB ILE 58 7.443 -9.345 4.380
472 1HG1 ILE 58 2HG1 ILE 58 10.094 -8.111 4.136
473 2HG1 ILE 58 1HG1 ILE 58 8.974 -7.635 2.864
474 1HG2 ILE 58 1HG2 ILE 58 9.648 -11.156 4.096
475 2HG2 ILE 58 2HG2 ILE 58 8.661 -10.809 5.516
476 3HG2 ILE 58 3HG2 ILE 58 10.089 -9.831 5.174
477 1HD1 ILE 58 1HD1 ILE 58 9.120 -6.272 5.073
478 2HD1 ILE 58 2HD1 ILE 58 8.080 -7.550 5.703
479 3HD1 ILE 58 3HD1 ILE 58 7.554 -6.582 4.325
480 H GLN 59 H GLN 59 9.259 -12.039 1.491
481 HA GLN 59 HA GLN 59 7.029 -13.809 2.153
482 1HB GLN 59 2HB GLN 59 8.905 -13.617 -0.011
483 2HB GLN 59 1HB GLN 59 9.060 -15.193 0.748
484 1HG GLN 59 2HG GLN 59 6.581 -13.973 -0.431
485 2HG GLN 59 1HG GLN 59 7.487 -15.358 -1.038
486 1HE2 GLN 59 1HE2 GLN 59 7.680 -17.190 0.560
487 2HE2 GLN 59 2HE2 GLN 59 6.258 -17.592 1.456
488 H GLN 60 H GLN 60 8.083 -16.218 2.480
489 HA GLN 60 HA GLN 60 9.110 -16.199 5.097
490 1HB GLN 60 2HB GLN 60 9.541 -18.649 4.675
491 2HB GLN 60 1HB GLN 60 7.890 -18.117 4.384
492 1HG GLN 60 2HG GLN 60 8.151 -18.225 2.057
493 2HG GLN 60 1HG GLN 60 9.908 -18.324 2.175
494 1HE2 GLN 60 1HE2 GLN 60 8.597 -20.119 0.646
495 2HE2 GLN 60 2HE2 GLN 60 8.619 -21.679 1.388
496 H TYR 61 H TYR 61 10.638 -15.954 2.033
497 HA TYR 61 HA TYR 61 13.278 -16.525 3.186
498 1HB TYR 61 2HB TYR 61 12.311 -16.314 0.334
499 2HB TYR 61 1HB TYR 61 14.020 -16.381 0.753
500 HD1 TYR 61 1HD TYR 61 11.697 -18.311 -0.639
501 HD2 TYR 61 2HD TYR 61 14.204 -18.399 2.798
502 HE1 TYR 61 1HE TYR 61 11.583 -20.766 -0.625
503 HE2 TYR 61 2HE TYR 61 14.096 -20.854 2.821
504 HH TYR 61 HH TYR 61 11.930 -22.619 0.742
505 H GLY 62 H GLY 62 11.405 -14.015 3.236
506 1HA GLY 62 2HA GLY 62 12.215 -11.854 3.852
507 2HA GLY 62 1HA GLY 62 13.611 -12.119 2.817
508 H HIS 63 H HIS 63 12.451 -9.758 2.528
509 HA HIS 63 HA HIS 63 10.262 -9.472 0.853
510 1HB HIS 63 2HB HIS 63 11.219 -7.296 0.220
511 2HB HIS 63 1HB HIS 63 11.329 -7.573 1.955
512 HD2 HIS 63 2HD HIS 63 14.045 -8.637 2.650
513 HE1 HIS 63 1HE HIS 63 15.728 -6.256 -0.418
514 HE2 HIS 63 2HE HIS 63 16.188 -7.482 1.754
515 H GLN 64 H GLN 64 10.011 -9.272 -1.412
516 HA GLN 64 HA GLN 64 12.208 -9.718 -3.191
517 1HB GLN 64 2HB GLN 64 10.934 -11.888 -4.062
518 2HB GLN 64 1HB GLN 64 12.201 -11.966 -2.845
519 1HG GLN 64 2HG GLN 64 10.530 -12.019 -1.081
520 2HG GLN 64 1HG GLN 64 9.240 -11.889 -2.277
521 1HE2 GLN 64 1HE2 GLN 64 11.829 -13.932 -1.078
522 2HE2 GLN 64 2HE2 GLN 64 11.186 -15.421 -1.674
523 H GLU 65 H GLU 65 9.055 -8.738 -2.573
524 HA GLU 65 HA GLU 65 8.609 -8.313 -5.456
525 1HB GLU 65 2HB GLU 65 7.117 -9.996 -3.794
526 2HB GLU 65 1HB GLU 65 6.139 -8.547 -3.957
527 1HG GLU 65 2HG GLU 65 6.190 -8.743 -6.373
528 2HG GLU 65 1HG GLU 65 7.258 -10.141 -6.258
529 H VAL 66 H VAL 66 8.701 -6.158 -5.793
530 HA VAL 66 HA VAL 66 7.120 -4.484 -3.998
531 HB VAL 66 HB VAL 66 9.246 -4.120 -3.112
532 1HG1 VAL 66 1HG1 VAL 66 10.409 -3.507 -5.801
533 2HG1 VAL 66 2HG1 VAL 66 10.429 -5.128 -5.103
534 3HG1 VAL 66 3HG1 VAL 66 11.242 -3.801 -4.272
535 1HG2 VAL 66 1HG2 VAL 66 7.801 -2.083 -3.978
536 2HG2 VAL 66 2HG2 VAL 66 9.234 -1.801 -4.969
537 3HG2 VAL 66 3HG2 VAL 66 9.371 -1.843 -3.210
538 H THR 67 H THR 67 6.087 -2.779 -4.888
539 HA THR 67 HA THR 67 6.517 -2.241 -7.746
540 HB THR 67 HB THR 67 3.797 -2.499 -6.448
541 HG1 THR 67 1HG THR 67 3.939 -4.294 -8.262
542 1HG2 THR 67 1HG2 THR 67 4.385 -0.964 -8.565
543 2HG2 THR 67 2HG2 THR 67 2.860 -1.835 -8.410
544 3HG2 THR 67 3HG2 THR 67 4.164 -2.509 -9.387
545 H ARG 68 H ARG 68 6.893 -0.143 -8.075
546 HA ARG 68 HA ARG 68 6.381 1.773 -5.969
547 1HB ARG 68 2HB ARG 68 7.459 2.489 -8.673
548 2HB ARG 68 1HB ARG 68 7.817 3.210 -7.110
549 1HG ARG 68 2HG ARG 68 9.646 1.971 -7.015
550 2HG ARG 68 1HG ARG 68 8.626 0.537 -6.920
551 1HD ARG 68 2HD ARG 68 9.770 1.821 -9.392
552 2HD ARG 68 1HD ARG 68 10.154 0.234 -8.729
553 HE ARG 68 HE ARG 68 7.399 0.384 -9.311
554 1HH1 ARG 68 1HH1 ARG 68 10.497 0.176 -10.893
555 2HH1 ARG 68 2HH1 ARG 68 9.872 -0.635 -12.290
556 1HH2 ARG 68 1HH2 ARG 68 6.569 -0.685 -11.144
557 2HH2 ARG 68 2HH2 ARG 68 7.640 -1.125 -12.433
558 H PHE 69 H PHE 69 4.985 3.491 -6.023
559 HA PHE 69 HA PHE 69 3.438 4.085 -8.387
560 1HB PHE 69 2HB PHE 69 1.268 3.785 -6.979
561 2HB PHE 69 1HB PHE 69 1.993 2.381 -7.755
562 HD1 PHE 69 1HD PHE 69 2.227 0.474 -6.504
563 HD2 PHE 69 2HD PHE 69 2.177 4.239 -4.520
564 HE1 PHE 69 1HE PHE 69 2.326 -0.674 -4.330
565 HE2 PHE 69 2HE PHE 69 2.277 3.097 -2.342
566 HZ PHE 69 HZ PHE 69 2.354 0.639 -2.246
567 H ASP 70 H ASP 70 2.057 5.948 -8.134
568 HA ASP 70 HA ASP 70 2.887 7.693 -5.904
569 1HB ASP 70 2HB ASP 70 1.811 8.988 -8.326
570 2HB ASP 70 1HB ASP 70 3.198 9.429 -7.335
571 H PHE 71 H PHE 71 1.291 8.462 -4.615
572 HA PHE 71 HA PHE 71 -1.420 8.663 -5.636
573 1HB PHE 71 2HB PHE 71 -2.417 7.077 -4.286
574 2HB PHE 71 1HB PHE 71 -0.902 6.280 -4.702
575 HD1 PHE 71 1HD PHE 71 -3.036 7.264 -2.072
576 HD2 PHE 71 2HD PHE 71 1.061 6.624 -3.028
577 HE1 PHE 71 1HE PHE 71 -2.521 7.024 0.321
578 HE2 PHE 71 2HE PHE 71 1.583 6.378 -0.637
579 HZ PHE 71 HZ PHE 71 -0.207 6.579 1.042
580 H THR 72 H THR 72 -2.932 9.578 -4.057
581 HA THR 72 HA THR 72 -1.726 11.077 -1.864
582 HB THR 72 HB THR 72 -2.589 13.180 -2.512
583 HG1 THR 72 1HG THR 72 -3.947 11.844 -4.635
584 1HG2 THR 72 1HG2 THR 72 -1.769 12.223 -5.219
585 2HG2 THR 72 2HG2 THR 72 -0.608 12.157 -3.893
586 3HG2 THR 72 3HG2 THR 72 -1.321 13.700 -4.365
587 H THR 73 H THR 73 -3.500 12.126 -0.518
588 HA THR 73 HA THR 73 -5.223 10.318 0.539
589 HB THR 73 HB THR 73 -5.070 12.252 1.798
590 HG1 THR 73 1HG THR 73 -7.151 12.168 2.154
591 1HG2 THR 73 1HG2 THR 73 -5.928 14.482 0.587
592 2HG2 THR 73 2HG2 THR 73 -5.302 13.616 -0.817
593 3HG2 THR 73 3HG2 THR 73 -4.244 13.959 0.552
594 H THR 74 H THR 74 -6.273 12.830 -1.772
595 HA THR 74 HA THR 74 -7.783 11.114 -3.391
596 HB THR 74 HB THR 74 -9.380 10.762 -1.707
597 HG1 THR 74 1HG THR 74 -10.604 13.009 -2.863
598 1HG2 THR 74 1HG2 THR 74 -10.058 13.516 -1.025
599 2HG2 THR 74 2HG2 THR 74 -8.415 13.074 -0.565
600 3HG2 THR 74 3HG2 THR 74 -9.780 12.127 0.025
601 H SER 75 H SER 75 -6.664 12.441 -4.883
602 HA SER 75 HA SER 75 -8.176 14.732 -5.721
603 1HB SER 75 2HB SER 75 -6.791 15.852 -4.084
604 2HB SER 75 1HB SER 75 -5.336 15.104 -4.742
605 HG SER 75 HG SER 75 -6.976 17.095 -5.893
606 H THR 76 H THR 76 -5.037 13.086 -6.091
607 HA THR 76 HA THR 76 -5.501 13.081 -9.001
608 HB THR 76 HB THR 76 -3.690 14.689 -8.225
609 HG1 THR 76 1HG THR 76 -2.360 12.907 -9.853
610 1HG2 THR 76 1HG2 THR 76 -2.687 12.205 -7.077
611 2HG2 THR 76 2HG2 THR 76 -2.232 13.875 -6.734
612 3HG2 THR 76 3HG2 THR 76 -1.494 13.021 -8.089
613 H SER 77 H SER 77 -3.325 11.558 -9.754
614 HA SER 77 HA SER 77 -2.585 9.428 -9.998
615 1HB SER 77 2HB SER 77 -1.654 9.061 -7.962
616 2HB SER 77 1HB SER 77 -3.080 9.632 -7.095
617 HG SER 77 HG SER 77 -2.338 7.162 -7.390
618 H THR 78 H THR 78 -3.320 7.290 -10.433
619 HA THR 78 HA THR 78 -5.974 6.449 -9.844
620 HB THR 78 HB THR 78 -6.226 6.395 -12.602
621 HG1 THR 78 1HG THR 78 -4.473 8.097 -12.449
622 1HG2 THR 78 1HG2 THR 78 -7.461 8.655 -11.113
623 2HG2 THR 78 2HG2 THR 78 -7.808 7.014 -10.564
624 3HG2 THR 78 3HG2 THR 78 -8.196 7.492 -12.217
625 HA PRO 79 HA PRO 79 -3.928 2.657 -10.855
626 1HB PRO 79 2HB PRO 79 -6.016 0.967 -10.814
627 2HB PRO 79 1HB PRO 79 -5.407 1.736 -9.343
628 1HG PRO 79 2HG PRO 79 -7.766 2.483 -11.031
629 2HG PRO 79 1HG PRO 79 -7.638 2.398 -9.265
630 1HD PRO 79 2HD PRO 79 -7.456 4.730 -10.671
631 2HD PRO 79 1HD PRO 79 -6.652 4.464 -9.111
632 H GLY 80 H GLY 80 -3.329 3.304 -13.019
633 1HA GLY 80 2HA GLY 80 -5.179 2.500 -15.149
634 2HA GLY 80 1HA GLY 80 -3.726 3.464 -15.358
635 H SER 81 H SER 81 -2.305 2.413 -16.564
636 HA SER 81 HA SER 81 -1.800 -0.424 -15.975
637 1HB SER 81 2HB SER 81 -2.908 -0.683 -17.994
638 2HB SER 81 1HB SER 81 -2.361 0.874 -18.614
639 HG SER 81 HG SER 81 -0.658 -0.062 -19.415
640 H ARG 82 H ARG 82 0.182 -0.550 -15.176
641 HA ARG 82 HA ARG 82 2.225 1.347 -16.061
642 1HB ARG 82 2HB ARG 82 1.612 0.637 -13.570
643 2HB ARG 82 1HB ARG 82 2.756 -0.653 -13.917
644 1HG ARG 82 2HG ARG 82 4.517 0.716 -13.787
645 2HG ARG 82 1HG ARG 82 3.703 2.005 -14.676
646 1HD ARG 82 2HD ARG 82 2.781 1.425 -11.914
647 2HD ARG 82 1HD ARG 82 4.334 2.238 -12.108
648 HE ARG 82 HE ARG 82 1.737 3.356 -12.546
649 1HH1 ARG 82 1HH1 ARG 82 5.084 3.524 -13.497
650 2HH1 ARG 82 2HH1 ARG 82 4.993 5.180 -13.996
651 1HH2 ARG 82 1HH2 ARG 82 1.606 5.535 -13.208
652 2HH2 ARG 82 2HH2 ARG 82 3.016 6.323 -13.831
653 H SER 83 H SER 83 2.456 -2.054 -15.049
654 HA SER 83 HA SER 83 4.080 -2.560 -17.454
655 1HB SER 83 2HB SER 83 5.679 -3.468 -16.169
656 2HB SER 83 1HB SER 83 4.804 -2.857 -14.765
657 HG SER 83 HG SER 83 4.481 -5.397 -15.990
658 H HIS 84 H HIS 84 1.191 -3.221 -15.950
659 HA HIS 84 HA HIS 84 -0.507 -4.667 -16.362
660 1HB HIS 84 2HB HIS 84 0.876 -4.436 -18.807
661 2HB HIS 84 1HB HIS 84 0.528 -6.150 -18.601
662 HD2 HIS 84 2HD HIS 84 -2.358 -6.509 -17.867
663 HE1 HIS 84 1HE HIS 84 -3.356 -3.262 -20.391
664 HE2 HIS 84 2HE HIS 84 -4.271 -5.179 -19.006
665 H HIS 85 H HIS 85 -1.145 -6.894 -16.180
666 HA HIS 85 HA HIS 85 0.918 -8.873 -15.699
667 1HB HIS 85 2HB HIS 85 -0.198 -9.389 -13.417
668 2HB HIS 85 1HB HIS 85 0.957 -8.065 -13.512
669 HD2 HIS 85 2HD HIS 85 -0.421 -7.071 -11.212
670 HE1 HIS 85 1HE HIS 85 -3.726 -5.753 -13.503
671 HE2 HIS 85 2HE HIS 85 -2.485 -5.503 -11.307
672 H HIS 86 H HIS 86 0.134 -10.345 -17.085
673 HA HIS 86 HA HIS 86 -2.452 -11.538 -16.474
674 1HB HIS 86 2HB HIS 86 -3.173 -11.505 -18.824
675 2HB HIS 86 1HB HIS 86 -2.988 -9.874 -18.188
676 HD2 HIS 86 2HD HIS 86 -1.158 -8.293 -19.454
677 HE1 HIS 86 1HE HIS 86 0.149 -11.244 -22.193
678 HE2 HIS 86 2HE HIS 86 0.398 -8.829 -21.460
679 H HIS 87 H HIS 87 -2.714 -13.666 -17.347
680 HA HIS 87 HA HIS 87 -0.422 -14.889 -18.649
681 1HB HIS 87 2HB HIS 87 -0.898 -15.121 -15.815
682 2HB HIS 87 1HB HIS 87 -1.051 -16.697 -16.585
683 HD2 HIS 87 2HD HIS 87 1.648 -13.842 -16.307
684 HE1 HIS 87 1HE HIS 87 3.529 -17.558 -17.056
685 HE2 HIS 87 2HE HIS 87 3.894 -15.072 -16.720
686 H HIS 88 H HIS 88 -0.871 -16.969 -19.540
687 HA HIS 88 HA HIS 88 -3.734 -17.655 -19.628
688 1HB HIS 88 2HB HIS 88 -2.705 -16.473 -21.710
689 2HB HIS 88 1HB HIS 88 -1.950 -18.034 -22.015
690 HD2 HIS 88 2HD HIS 88 -4.672 -19.800 -21.135
691 HE1 HIS 88 1HE HIS 88 -6.308 -17.746 -24.453
692 HE2 HIS 88 2HE HIS 88 -6.484 -19.810 -22.992
693 H HIS 89 H HIS 89 -3.907 -19.523 -18.573
694 HA HIS 89 HA HIS 89 -2.370 -21.804 -19.505
695 1HB HIS 89 2HB HIS 89 -1.343 -20.527 -17.363
696 2HB HIS 89 1HB HIS 89 -2.480 -21.599 -16.549
697 HD2 HIS 89 2HD HIS 89 0.225 -22.207 -19.378
698 HE1 HIS 89 1HE HIS 89 0.398 -25.277 -16.470
699 HE2 HIS 89 2HE HIS 89 1.268 -24.488 -18.718
Start of MODEL 27
1 1H MET 1 1HT MET 1 13.881 -27.871 11.006
2 2H MET 1 2HT MET 1 15.149 -28.276 12.049
3 3H MET 1 3HT MET 1 13.553 -28.636 12.479
4 HA MET 1 HA MET 1 14.752 -29.761 10.036
5 1HB MET 1 2HB MET 1 15.021 -31.815 11.708
6 2HB MET 1 1HB MET 1 16.302 -30.633 11.475
7 1HG MET 1 2HG MET 1 14.489 -29.771 13.533
8 2HG MET 1 1HG MET 1 15.102 -31.390 13.872
9 1HE MET 1 1HE MET 1 15.910 -28.627 15.774
10 2HE MET 1 2HE MET 1 15.436 -27.875 14.250
11 3HE MET 1 3HE MET 1 17.055 -27.613 14.897
12 H ARG 2 H ARG 2 12.352 -29.683 12.572
13 HA ARG 2 HA ARG 2 10.664 -31.480 10.958
14 1HB ARG 2 2HB ARG 2 9.588 -31.611 13.488
15 2HB ARG 2 1HB ARG 2 10.636 -32.818 12.758
16 1HG ARG 2 2HG ARG 2 12.266 -32.407 14.209
17 2HG ARG 2 1HG ARG 2 12.157 -30.665 13.950
18 1HD ARG 2 2HD ARG 2 11.657 -30.995 16.227
19 2HD ARG 2 1HD ARG 2 10.106 -30.715 15.438
20 HE ARG 2 HE ARG 2 9.808 -33.175 15.501
21 1HH1 ARG 2 1HH1 ARG 2 12.033 -31.646 17.708
22 2HH1 ARG 2 2HH1 ARG 2 11.922 -32.905 18.893
23 1HH2 ARG 2 1HH2 ARG 2 9.661 -34.837 17.055
24 2HH2 ARG 2 2HH2 ARG 2 10.576 -34.718 18.521
25 H GLY 3 H GLY 3 8.481 -30.955 10.747
26 1HA GLY 3 2HA GLY 3 6.698 -29.430 11.761
27 2HA GLY 3 1HA GLY 3 7.860 -28.155 11.430
28 H SER 4 H SER 4 5.076 -28.839 10.413
29 HA SER 4 HA SER 4 5.710 -28.435 7.575
30 1HB SER 4 2HB SER 4 3.328 -30.090 8.352
31 2HB SER 4 1HB SER 4 4.192 -30.039 6.816
32 HG SER 4 HG SER 4 5.541 -30.915 9.111
33 H ASN 5 H ASN 5 4.917 -26.669 9.815
34 HA ASN 5 HA ASN 5 2.193 -25.906 9.364
35 1HB ASN 5 2HB ASN 5 4.461 -24.564 10.844
36 2HB ASN 5 1HB ASN 5 2.825 -23.915 10.776
37 1HD2 ASN 5 1HD2 ASN 5 1.400 -24.587 12.230
38 2HD2 ASN 5 2HD2 ASN 5 1.620 -25.919 13.308
39 H ALA 6 H ALA 6 2.191 -23.191 9.204
40 HA ALA 6 HA ALA 6 3.811 -22.288 6.996
41 1HB ALA 6 1HB ALA 6 1.313 -23.524 6.451
42 2HB ALA 6 2HB ALA 6 2.430 -22.752 5.325
43 3HB ALA 6 3HB ALA 6 1.163 -21.802 6.102
44 HA PRO 7 HA PRO 7 2.729 -18.803 9.703
45 1HB PRO 7 2HB PRO 7 4.863 -17.280 9.045
46 2HB PRO 7 1HB PRO 7 4.975 -18.624 10.189
47 1HG PRO 7 2HG PRO 7 5.703 -18.544 7.284
48 2HG PRO 7 1HG PRO 7 6.599 -19.251 8.641
49 1HD PRO 7 2HD PRO 7 5.085 -20.741 6.961
50 2HD PRO 7 1HD PRO 7 5.301 -21.155 8.674
51 H GLN 8 H GLN 8 2.502 -19.233 6.458
52 HA GLN 8 HA GLN 8 1.936 -16.410 5.878
53 1HB GLN 8 2HB GLN 8 1.847 -18.449 3.721
54 2HB GLN 8 1HB GLN 8 2.442 -16.796 3.681
55 1HG GLN 8 2HG GLN 8 4.516 -17.525 3.871
56 2HG GLN 8 1HG GLN 8 4.122 -18.294 5.408
57 1HE2 GLN 8 1HE2 GLN 8 3.967 -18.778 1.912
58 2HE2 GLN 8 2HE2 GLN 8 4.177 -20.492 1.961
59 HA PRO 9 HA PRO 9 -2.356 -17.736 6.181
60 1HB PRO 9 2HB PRO 9 -3.112 -14.965 6.137
61 2HB PRO 9 1HB PRO 9 -3.099 -16.070 7.512
62 1HG PRO 9 2HG PRO 9 -1.417 -13.907 7.235
63 2HG PRO 9 1HG PRO 9 -1.075 -15.322 8.244
64 1HD PRO 9 2HD PRO 9 -0.072 -14.654 5.506
65 2HD PRO 9 1HD PRO 9 0.781 -15.411 6.869
66 H SER 10 H SER 10 -0.944 -15.522 3.874
67 HA SER 10 HA SER 10 -2.805 -16.457 1.843
68 1HB SER 10 2HB SER 10 -2.364 -13.503 1.923
69 2HB SER 10 1HB SER 10 -3.721 -14.418 1.266
70 HG SER 10 HG SER 10 -3.902 -13.180 3.399
71 H HIS 11 H HIS 11 -1.009 -17.493 0.941
72 HA HIS 11 HA HIS 11 0.776 -17.737 -0.438
73 1HB HIS 11 2HB HIS 11 -0.371 -15.119 -1.221
74 2HB HIS 11 1HB HIS 11 1.266 -15.454 -1.781
75 HD2 HIS 11 2HD HIS 11 1.480 -17.808 -3.410
76 HE1 HIS 11 1HE HIS 11 -2.637 -17.732 -4.383
77 HE2 HIS 11 2HE HIS 11 -0.407 -18.841 -4.858
78 H ILE 12 H ILE 12 1.431 -14.301 0.008
79 HA ILE 12 HA ILE 12 4.095 -14.881 0.910
80 HB ILE 12 HB ILE 12 3.684 -12.960 -0.543
81 1HG1 ILE 12 2HG1 ILE 12 4.467 -11.497 1.878
82 2HG1 ILE 12 1HG1 ILE 12 5.330 -13.016 1.655
83 1HG2 ILE 12 1HG2 ILE 12 1.664 -12.012 -0.132
84 2HG2 ILE 12 2HG2 ILE 12 2.665 -10.917 0.824
85 3HG2 ILE 12 3HG2 ILE 12 1.792 -12.232 1.614
86 1HD1 ILE 12 1HD1 ILE 12 5.404 -11.863 -0.840
87 2HD1 ILE 12 2HD1 ILE 12 6.703 -11.862 0.354
88 3HD1 ILE 12 3HD1 ILE 12 5.591 -10.496 0.257
89 H SER 13 H SER 13 5.017 -14.292 2.908
90 HA SER 13 HA SER 13 3.531 -14.911 5.178
91 1HB SER 13 2HB SER 13 6.179 -14.589 4.673
92 2HB SER 13 1HB SER 13 5.850 -13.125 5.601
93 HG SER 13 HG SER 13 6.289 -14.614 7.120
94 H LYS 14 H LYS 14 4.555 -11.724 3.962
95 HA LYS 14 HA LYS 14 2.173 -10.478 4.905
96 1HB LYS 14 2HB LYS 14 3.527 -8.840 6.403
97 2HB LYS 14 1HB LYS 14 3.024 -10.391 7.058
98 1HG LYS 14 2HG LYS 14 5.138 -10.677 7.663
99 2HG LYS 14 1HG LYS 14 5.493 -10.930 5.953
100 1HD LYS 14 2HD LYS 14 6.413 -8.865 5.696
101 2HD LYS 14 1HD LYS 14 5.352 -8.126 6.896
102 1HE LYS 14 2HE LYS 14 7.617 -8.132 7.723
103 2HE LYS 14 1HE LYS 14 6.640 -9.244 8.679
104 1HZ LYS 14 1HZ LYS 14 7.711 -10.709 6.579
105 2HZ LYS 14 2HZ LYS 14 8.111 -10.813 8.220
106 3HZ LYS 14 3HZ LYS 14 8.980 -9.778 7.202
107 H TYR 15 H TYR 15 1.881 -8.423 4.069
108 HA TYR 15 HA TYR 15 3.845 -7.629 2.039
109 1HB TYR 15 2HB TYR 15 0.956 -7.710 2.137
110 2HB TYR 15 1HB TYR 15 1.512 -6.087 1.742
111 HD1 TYR 15 1HD TYR 15 0.810 -9.326 0.467
112 HD2 TYR 15 2HD TYR 15 3.237 -5.892 -0.177
113 HE1 TYR 15 1HE TYR 15 1.156 -10.015 -1.868
114 HE2 TYR 15 2HE TYR 15 3.589 -6.572 -2.513
115 HH TYR 15 HH TYR 15 2.306 -9.629 -3.752
116 H ILE 16 H ILE 16 4.705 -5.576 1.982
117 HA ILE 16 HA ILE 16 4.164 -3.897 4.331
118 HB ILE 16 HB ILE 16 6.631 -4.888 3.196
119 1HG1 ILE 16 2HG1 ILE 16 5.765 -4.885 5.600
120 2HG1 ILE 16 1HG1 ILE 16 7.459 -4.481 5.358
121 1HG2 ILE 16 1HG2 ILE 16 7.964 -2.870 3.301
122 2HG2 ILE 16 2HG2 ILE 16 6.518 -1.908 3.610
123 3HG2 ILE 16 3HG2 ILE 16 6.717 -2.733 2.062
124 1HD1 ILE 16 1HD1 ILE 16 6.350 -2.017 5.298
125 2HD1 ILE 16 2HD1 ILE 16 6.980 -2.789 6.752
126 3HD1 ILE 16 3HD1 ILE 16 5.254 -2.850 6.399
127 H LEU 17 H LEU 17 3.872 -1.724 4.079
128 HA LEU 17 HA LEU 17 3.841 -0.683 1.326
129 1HB LEU 17 2HB LEU 17 1.579 -1.196 2.675
130 2HB LEU 17 1HB LEU 17 1.907 0.412 3.291
131 HG LEU 17 HG LEU 17 2.115 0.214 0.374
132 1HD1 LEU 17 1HD1 LEU 17 -0.678 0.178 1.379
133 2HD1 LEU 17 2HD1 LEU 17 0.168 -1.361 1.234
134 3HD1 LEU 17 3HD1 LEU 17 -0.028 -0.327 -0.181
135 1HD2 LEU 17 1HD2 LEU 17 0.439 2.009 2.122
136 2HD2 LEU 17 2HD2 LEU 17 0.953 2.295 0.459
137 3HD2 LEU 17 3HD2 LEU 17 2.141 2.300 1.763
138 H ARG 18 H ARG 18 5.310 0.868 1.149
139 HA ARG 18 HA ARG 18 5.741 2.643 3.457
140 1HB ARG 18 2HB ARG 18 7.999 2.646 1.682
141 2HB ARG 18 1HB ARG 18 7.935 2.239 3.391
142 1HG ARG 18 2HG ARG 18 6.864 0.017 2.138
143 2HG ARG 18 1HG ARG 18 8.188 0.516 1.083
144 1HD ARG 18 2HD ARG 18 8.642 0.399 4.026
145 2HD ARG 18 1HD ARG 18 8.603 -1.106 3.105
146 HE ARG 18 HE ARG 18 10.335 0.902 1.986
147 1HH1 ARG 18 1HH1 ARG 18 10.075 -1.715 4.270
148 2HH1 ARG 18 2HH1 ARG 18 11.775 -2.050 4.276
149 1HH2 ARG 18 1HH2 ARG 18 12.576 0.468 1.986
150 2HH2 ARG 18 2HH2 ARG 18 13.196 -0.811 2.977
151 H TRP 19 H TRP 19 5.746 4.814 3.119
152 HA TRP 19 HA TRP 19 5.950 5.899 0.456
153 1HB TRP 19 2HB TRP 19 3.770 6.869 0.305
154 2HB TRP 19 1HB TRP 19 3.559 5.153 0.634
155 HD1 TRP 19 HD TRP 19 2.668 8.543 1.941
156 HE1 TRP 19 1HE TRP 19 1.297 8.314 4.107
157 HE3 TRP 19 3HE TRP 19 3.390 3.560 2.839
158 HZ2 TRP 19 2HZ TRP 19 0.614 6.294 5.951
159 HZ3 TRP 19 3HZ TRP 19 2.342 2.558 4.828
160 HH2 TRP 19 HH TRP 19 0.983 3.899 6.351
161 H ARG 20 H ARG 20 5.919 8.247 0.419
162 HA ARG 20 HA ARG 20 6.034 9.696 2.907
163 1HB ARG 20 2HB ARG 20 8.326 10.334 2.837
164 2HB ARG 20 1HB ARG 20 8.298 8.583 2.683
165 1HG ARG 20 2HG ARG 20 9.097 8.616 0.567
166 2HG ARG 20 1HG ARG 20 8.279 10.128 0.165
167 1HD ARG 20 2HD ARG 20 10.276 10.562 2.190
168 2HD ARG 20 1HD ARG 20 10.983 9.759 0.790
169 HE ARG 20 HE ARG 20 9.479 12.291 0.623
170 1HH1 ARG 20 1HH1 ARG 20 12.109 10.216 -0.345
171 2HH1 ARG 20 2HH1 ARG 20 12.760 11.355 -1.476
172 1HH2 ARG 20 1HH2 ARG 20 10.332 13.795 -0.865
173 2HH2 ARG 20 2HH2 ARG 20 11.751 13.388 -1.769
174 HA PRO 21 HA PRO 21 4.790 13.086 0.369
175 1HB PRO 21 2HB PRO 21 6.817 14.800 1.681
176 2HB PRO 21 1HB PRO 21 5.064 14.996 1.595
177 1HG PRO 21 2HG PRO 21 6.275 14.240 3.856
178 2HG PRO 21 1HG PRO 21 4.687 13.602 3.397
179 1HD PRO 21 2HD PRO 21 7.373 12.305 3.239
180 2HD PRO 21 1HD PRO 21 5.797 11.593 3.640
181 H LYS 22 H LYS 22 5.404 12.900 -1.709
182 HA LYS 22 HA LYS 22 8.102 12.782 -2.577
183 1HB LYS 22 2HB LYS 22 5.818 12.029 -3.711
184 2HB LYS 22 1HB LYS 22 5.938 13.620 -4.448
185 1HG LYS 22 2HG LYS 22 8.306 11.823 -4.538
186 2HG LYS 22 1HG LYS 22 6.946 11.503 -5.616
187 1HD LYS 22 2HD LYS 22 7.917 14.298 -5.465
188 2HD LYS 22 1HD LYS 22 8.965 13.128 -6.270
189 1HE LYS 22 2HE LYS 22 7.693 13.195 -8.089
190 2HE LYS 22 1HE LYS 22 6.278 12.731 -7.147
191 1HZ LYS 22 1HZ LYS 22 6.740 15.398 -6.587
192 2HZ LYS 22 2HZ LYS 22 5.484 14.750 -7.516
193 3HZ LYS 22 3HZ LYS 22 6.918 15.248 -8.263
194 H ASN 23 H ASN 23 5.842 15.371 -2.055
195 HA ASN 23 HA ASN 23 7.636 17.291 -3.352
196 1HB ASN 23 2HB ASN 23 4.810 17.599 -2.321
197 2HB ASN 23 1HB ASN 23 5.751 18.894 -3.056
198 1HD2 ASN 23 1HD2 ASN 23 3.697 18.754 -4.410
199 2HD2 ASN 23 2HD2 ASN 23 3.782 17.756 -5.817
200 H SER 24 H SER 24 6.227 16.480 -0.230
201 HA SER 24 HA SER 24 7.752 18.656 1.018
202 1HB SER 24 2HB SER 24 5.145 17.615 1.464
203 2HB SER 24 1HB SER 24 6.108 17.298 2.907
204 HG SER 24 HG SER 24 5.038 19.596 2.119
205 H VAL 25 H VAL 25 7.986 17.727 3.576
206 HA VAL 25 HA VAL 25 9.671 15.324 3.316
207 HB VAL 25 HB VAL 25 11.049 17.383 3.473
208 1HG1 VAL 25 1HG1 VAL 25 10.903 18.076 6.150
209 2HG1 VAL 25 2HG1 VAL 25 9.218 17.939 5.647
210 3HG1 VAL 25 3HG1 VAL 25 10.309 19.022 4.784
211 1HG2 VAL 25 1HG2 VAL 25 11.470 15.991 6.066
212 2HG2 VAL 25 2HG2 VAL 25 12.629 16.407 4.802
213 3HG2 VAL 25 3HG2 VAL 25 11.541 15.036 4.585
214 H GLY 26 H GLY 26 9.908 14.049 5.239
215 1HA GLY 26 2HA GLY 26 8.933 14.378 7.733
216 2HA GLY 26 1HA GLY 26 7.482 14.002 6.817
217 H ARG 27 H ARG 27 10.497 12.623 5.833
218 HA ARG 27 HA ARG 27 11.274 10.487 5.772
219 1HB ARG 27 2HB ARG 27 9.835 10.406 8.423
220 2HB ARG 27 1HB ARG 27 10.788 9.060 7.811
221 1HG ARG 27 2HG ARG 27 12.734 10.654 7.663
222 2HG ARG 27 1HG ARG 27 11.744 11.808 8.561
223 1HD ARG 27 2HD ARG 27 12.153 9.028 9.593
224 2HD ARG 27 1HD ARG 27 13.386 10.264 9.844
225 HE ARG 27 HE ARG 27 10.882 11.271 10.633
226 1HH1 ARG 27 1HH1 ARG 27 13.274 8.936 11.620
227 2HH1 ARG 27 2HH1 ARG 27 12.883 9.058 13.303
228 1HH2 ARG 27 1HH2 ARG 27 10.366 11.442 12.843
229 2HH2 ARG 27 2HH2 ARG 27 11.230 10.482 13.999
230 H TRP 28 H TRP 28 10.501 8.091 5.929
231 HA TRP 28 HA TRP 28 8.121 7.928 4.287
232 1HB TRP 28 2HB TRP 28 10.087 5.806 5.172
233 2HB TRP 28 1HB TRP 28 8.756 5.534 4.054
234 HD1 TRP 28 HD TRP 28 12.033 7.572 4.284
235 HE1 TRP 28 1HE TRP 28 12.911 7.940 1.892
236 HE3 TRP 28 3HE TRP 28 8.154 5.510 1.671
237 HZ2 TRP 28 2HZ TRP 28 12.069 7.421 -0.754
238 HZ3 TRP 28 3HZ TRP 28 8.266 5.484 -0.787
239 HH2 TRP 28 HH TRP 28 10.184 6.420 -1.974
240 H LYS 29 H LYS 29 7.031 5.552 4.806
241 HA LYS 29 HA LYS 29 6.367 5.332 7.628
242 1HB LYS 29 2HB LYS 29 4.523 6.377 5.538
243 2HB LYS 29 1HB LYS 29 3.853 5.232 6.692
244 1HG LYS 29 2HG LYS 29 4.066 6.668 8.455
245 2HG LYS 29 1HG LYS 29 5.425 7.529 7.731
246 1HD LYS 29 2HD LYS 29 4.086 8.938 6.566
247 2HD LYS 29 1HD LYS 29 2.846 7.711 6.301
248 1HE LYS 29 2HE LYS 29 2.602 8.014 8.950
249 2HE LYS 29 1HE LYS 29 3.190 9.623 8.534
250 1HZ LYS 29 1HZ LYS 29 1.362 9.984 7.122
251 2HZ LYS 29 2HZ LYS 29 0.710 9.312 8.531
252 3HZ LYS 29 3HZ LYS 29 0.899 8.357 7.149
253 H GLU 30 H GLU 30 5.265 3.295 8.099
254 HA GLU 30 HA GLU 30 5.359 1.391 5.857
255 1HB GLU 30 2HB GLU 30 6.257 0.652 8.634
256 2HB GLU 30 1HB GLU 30 6.478 -0.251 7.142
257 1HG GLU 30 2HG GLU 30 7.918 1.682 6.357
258 2HG GLU 30 1HG GLU 30 7.878 2.249 8.027
259 H ALA 31 H ALA 31 3.801 -0.090 5.744
260 HA ALA 31 HA ALA 31 1.969 -0.494 7.986
261 1HB ALA 31 1HB ALA 31 0.660 1.085 6.936
262 2HB ALA 31 2HB ALA 31 0.096 -0.390 6.151
263 3HB ALA 31 3HB ALA 31 1.248 0.662 5.328
264 H THR 32 H THR 32 2.095 -2.634 8.299
265 HA THR 32 HA THR 32 2.550 -4.380 6.001
266 HB THR 32 HB THR 32 2.717 -4.990 8.955
267 HG1 THR 32 1HG THR 32 5.009 -5.132 8.358
268 1HG2 THR 32 1HG2 THR 32 3.610 -6.706 6.637
269 2HG2 THR 32 2HG2 THR 32 2.085 -6.937 7.496
270 3HG2 THR 32 3HG2 THR 32 3.618 -7.126 8.350
271 H ILE 33 H ILE 33 1.131 -5.749 5.222
272 HA ILE 33 HA ILE 33 -1.235 -6.486 6.788
273 HB ILE 33 HB ILE 33 -1.465 -5.931 3.841
274 1HG1 ILE 33 2HG1 ILE 33 -2.684 -3.833 5.345
275 2HG1 ILE 33 1HG1 ILE 33 -0.999 -3.957 5.843
276 1HG2 ILE 33 1HG2 ILE 33 -3.497 -5.981 6.066
277 2HG2 ILE 33 2HG2 ILE 33 -3.189 -7.288 4.923
278 3HG2 ILE 33 3HG2 ILE 33 -3.835 -5.750 4.351
279 1HD1 ILE 33 1HD1 ILE 33 -1.094 -4.124 3.016
280 2HD1 ILE 33 2HD1 ILE 33 -0.386 -2.865 4.027
281 3HD1 ILE 33 3HD1 ILE 33 -2.073 -2.748 3.525
282 HA PRO 34 HA PRO 34 0.730 -10.370 5.501
283 1HB PRO 34 2HB PRO 34 -1.652 -11.416 6.937
284 2HB PRO 34 1HB PRO 34 0.049 -11.853 7.114
285 1HG PRO 34 2HG PRO 34 -1.158 -10.348 8.944
286 2HG PRO 34 1HG PRO 34 0.515 -10.017 8.456
287 1HD PRO 34 2HD PRO 34 -2.002 -8.594 7.692
288 2HD PRO 34 1HD PRO 34 -0.391 -7.931 8.038
289 H GLY 35 H GLY 35 0.335 -10.338 3.298
290 1HA GLY 35 2HA GLY 35 -0.706 -10.842 1.316
291 2HA GLY 35 1HA GLY 35 -1.439 -12.153 2.222
292 H HIS 36 H HIS 36 -2.098 -8.897 3.192
293 HA HIS 36 HA HIS 36 -4.015 -7.672 3.244
294 1HB HIS 36 2HB HIS 36 -3.529 -8.338 0.544
295 2HB HIS 36 1HB HIS 36 -5.259 -8.538 0.799
296 HD2 HIS 36 2HD HIS 36 -2.884 -5.669 2.126
297 HE1 HIS 36 1HE HIS 36 -6.156 -4.018 0.009
298 HE2 HIS 36 2HE HIS 36 -3.979 -3.505 1.206
299 H LEU 37 H LEU 37 -5.195 -8.533 4.882
300 HA LEU 37 HA LEU 37 -6.712 -10.963 4.507
301 1HB LEU 37 2HB LEU 37 -7.622 -10.161 6.861
302 2HB LEU 37 1HB LEU 37 -6.076 -10.957 6.683
303 HG LEU 37 HG LEU 37 -6.146 -8.952 8.222
304 1HD1 LEU 37 1HD1 LEU 37 -4.102 -8.084 6.415
305 2HD1 LEU 37 2HD1 LEU 37 -4.168 -9.847 6.457
306 3HD1 LEU 37 3HD1 LEU 37 -3.954 -8.937 7.953
307 1HD2 LEU 37 1HD2 LEU 37 -7.398 -7.710 6.120
308 2HD2 LEU 37 2HD2 LEU 37 -5.755 -7.073 6.032
309 3HD2 LEU 37 3HD2 LEU 37 -6.686 -6.907 7.520
310 H ASN 38 H ASN 38 -7.208 -7.626 4.058
311 HA ASN 38 HA ASN 38 -9.816 -8.013 3.015
312 1HB ASN 38 2HB ASN 38 -11.205 -7.081 4.611
313 2HB ASN 38 1HB ASN 38 -10.058 -7.945 5.629
314 1HD2 ASN 38 1HD2 ASN 38 -7.899 -6.132 5.367
315 2HD2 ASN 38 2HD2 ASN 38 -8.318 -4.687 6.216
316 H SER 39 H SER 39 -10.802 -5.392 3.276
317 HA SER 39 HA SER 39 -9.113 -4.045 1.385
318 1HB SER 39 2HB SER 39 -11.084 -2.240 2.198
319 2HB SER 39 1HB SER 39 -11.149 -3.302 0.791
320 HG SER 39 HG SER 39 -12.633 -3.379 3.013
321 H TYR 40 H TYR 40 -7.285 -3.165 2.136
322 HA TYR 40 HA TYR 40 -7.409 -1.575 4.612
323 1HB TYR 40 2HB TYR 40 -5.772 -3.614 4.262
324 2HB TYR 40 1HB TYR 40 -4.820 -2.430 3.374
325 HD1 TYR 40 1HD TYR 40 -4.729 -0.050 4.778
326 HD2 TYR 40 2HD TYR 40 -5.082 -3.959 6.421
327 HE1 TYR 40 1HE TYR 40 -3.768 0.758 6.891
328 HE2 TYR 40 2HE TYR 40 -4.123 -3.159 8.540
329 HH TYR 40 HH TYR 40 -3.781 -1.144 9.764
330 H THR 41 H THR 41 -7.773 0.494 4.094
331 HA THR 41 HA THR 41 -6.199 1.668 1.894
332 HB THR 41 HB THR 41 -8.676 3.019 2.860
333 HG1 THR 41 1HG THR 41 -9.164 0.724 2.467
334 1HG2 THR 41 1HG2 THR 41 -8.564 3.000 0.089
335 2HG2 THR 41 2HG2 THR 41 -6.876 3.117 0.585
336 3HG2 THR 41 3HG2 THR 41 -8.046 4.310 1.148
337 H ILE 42 H ILE 42 -5.175 3.618 2.224
338 HA ILE 42 HA ILE 42 -4.903 4.419 5.035
339 HB ILE 42 HB ILE 42 -3.095 5.002 2.686
340 1HG1 ILE 42 2HG1 ILE 42 -1.846 3.489 4.756
341 2HG1 ILE 42 1HG1 ILE 42 -3.366 2.699 4.347
342 1HG2 ILE 42 1HG2 ILE 42 -2.628 5.536 5.616
343 2HG2 ILE 42 2HG2 ILE 42 -3.093 6.758 4.433
344 3HG2 ILE 42 3HG2 ILE 42 -1.546 5.927 4.280
345 1HD1 ILE 42 1HD1 ILE 42 -2.706 2.561 2.030
346 2HD1 ILE 42 2HD1 ILE 42 -1.466 1.842 3.057
347 3HD1 ILE 42 3HD1 ILE 42 -1.222 3.449 2.375
348 H LYS 43 H LYS 43 -5.602 6.339 5.727
349 HA LYS 43 HA LYS 43 -6.254 8.406 3.733
350 1HB LYS 43 2HB LYS 43 -7.996 7.076 5.632
351 2HB LYS 43 1HB LYS 43 -7.977 8.815 5.896
352 1HG LYS 43 2HG LYS 43 -9.632 8.746 4.365
353 2HG LYS 43 1HG LYS 43 -8.271 8.798 3.243
354 1HD LYS 43 2HD LYS 43 -9.516 7.034 2.413
355 2HD LYS 43 1HD LYS 43 -8.347 6.207 3.445
356 1HE LYS 43 2HE LYS 43 -10.578 6.933 5.044
357 2HE LYS 43 1HE LYS 43 -11.186 6.161 3.581
358 1HZ LYS 43 1HZ LYS 43 -9.136 4.556 4.284
359 2HZ LYS 43 2HZ LYS 43 -10.759 4.274 4.668
360 3HZ LYS 43 3HZ LYS 43 -9.742 5.019 5.795
361 H GLY 44 H GLY 44 -5.774 10.510 4.271
362 1HA GLY 44 2HA GLY 44 -5.394 12.098 6.168
363 2HA GLY 44 1HA GLY 44 -4.325 10.867 6.821
364 H LEU 45 H LEU 45 -4.755 12.426 3.639
365 HA LEU 45 HA LEU 45 -1.947 13.265 3.746
366 1HB LEU 45 2HB LEU 45 -3.093 12.147 1.210
367 2HB LEU 45 1HB LEU 45 -1.413 12.407 1.634
368 HG LEU 45 HG LEU 45 -3.025 10.399 3.157
369 1HD1 LEU 45 1HD1 LEU 45 -1.793 8.840 1.347
370 2HD1 LEU 45 2HD1 LEU 45 -2.192 10.230 0.337
371 3HD1 LEU 45 3HD1 LEU 45 -3.468 9.374 1.202
372 1HD2 LEU 45 1HD2 LEU 45 -0.320 9.696 2.494
373 2HD2 LEU 45 2HD2 LEU 45 -1.061 9.928 4.077
374 3HD2 LEU 45 3HD2 LEU 45 -0.377 11.305 3.215
375 H LYS 46 H LYS 46 -2.992 15.298 4.240
376 HA LYS 46 HA LYS 46 -4.830 16.764 2.997
377 1HB LYS 46 2HB LYS 46 -3.719 17.883 4.692
378 2HB LYS 46 1HB LYS 46 -2.131 17.512 4.038
379 1HG LYS 46 2HG LYS 46 -2.389 19.159 2.319
380 2HG LYS 46 1HG LYS 46 -4.063 19.453 2.790
381 1HD LYS 46 2HD LYS 46 -3.342 21.037 4.176
382 2HD LYS 46 1HD LYS 46 -2.525 19.789 5.116
383 1HE LYS 46 2HE LYS 46 -0.524 20.506 4.459
384 2HE LYS 46 1HE LYS 46 -1.002 20.459 2.763
385 1HZ LYS 46 1HZ LYS 46 -1.782 22.645 2.855
386 2HZ LYS 46 2HZ LYS 46 -0.325 22.692 3.713
387 3HZ LYS 46 3HZ LYS 46 -1.796 22.680 4.547
388 HA PRO 47 HA PRO 47 -3.966 16.822 -1.361
389 1HB PRO 47 2HB PRO 47 -5.478 19.379 -1.265
390 2HB PRO 47 1HB PRO 47 -5.748 17.947 -2.264
391 1HG PRO 47 2HG PRO 47 -7.342 18.481 -0.201
392 2HG PRO 47 1HG PRO 47 -6.864 16.815 -0.577
393 1HD PRO 47 2HD PRO 47 -5.855 18.643 1.565
394 2HD PRO 47 1HD PRO 47 -6.164 16.896 1.627
395 H GLY 48 H GLY 48 -3.250 18.509 -3.031
396 1HA GLY 48 2HA GLY 48 -1.967 20.394 -3.611
397 2HA GLY 48 1HA GLY 48 -1.660 20.681 -1.905
398 H VAL 49 H VAL 49 -0.810 18.001 -1.313
399 HA VAL 49 HA VAL 49 1.788 17.997 -2.703
400 HB VAL 49 HB VAL 49 2.148 18.592 -0.415
401 1HG1 VAL 49 1HG1 VAL 49 0.079 16.563 0.086
402 2HG1 VAL 49 2HG1 VAL 49 0.444 18.056 0.952
403 3HG1 VAL 49 3HG1 VAL 49 1.399 16.604 1.255
404 1HG2 VAL 49 1HG2 VAL 49 3.947 17.292 -0.402
405 2HG2 VAL 49 2HG2 VAL 49 3.171 16.191 -1.540
406 3HG2 VAL 49 3HG2 VAL 49 2.975 15.948 0.195
407 H VAL 50 H VAL 50 2.306 16.229 -3.814
408 HA VAL 50 HA VAL 50 0.515 13.957 -3.797
409 HB VAL 50 HB VAL 50 3.048 14.333 -5.400
410 1HG1 VAL 50 1HG1 VAL 50 2.371 12.547 -6.724
411 2HG1 VAL 50 2HG1 VAL 50 0.702 12.633 -6.159
412 3HG1 VAL 50 3HG1 VAL 50 1.963 12.011 -5.094
413 1HG2 VAL 50 1HG2 VAL 50 1.906 15.477 -7.007
414 2HG2 VAL 50 2HG2 VAL 50 1.013 16.024 -5.588
415 3HG2 VAL 50 3HG2 VAL 50 0.361 14.733 -6.597
416 H TYR 51 H TYR 51 0.996 11.888 -3.145
417 HA TYR 51 HA TYR 51 3.433 11.613 -1.519
418 1HB TYR 51 2HB TYR 51 0.649 10.632 -1.214
419 2HB TYR 51 1HB TYR 51 1.930 9.543 -0.693
420 HD1 TYR 51 1HD TYR 51 0.103 12.591 0.035
421 HD2 TYR 51 2HD TYR 51 3.473 10.234 1.122
422 HE1 TYR 51 1HE TYR 51 0.258 13.808 2.165
423 HE2 TYR 51 2HE TYR 51 3.640 11.444 3.255
424 HH TYR 51 HH TYR 51 1.755 12.811 4.747
425 H GLU 52 H GLU 52 4.848 9.993 -1.895
426 HA GLU 52 HA GLU 52 4.243 8.202 -4.151
427 1HB GLU 52 2HB GLU 52 6.717 8.050 -4.443
428 2HB GLU 52 1HB GLU 52 6.071 9.662 -4.713
429 1HG GLU 52 2HG GLU 52 6.965 10.487 -2.730
430 2HG GLU 52 1HG GLU 52 7.188 8.876 -2.051
431 H GLY 53 H GLY 53 4.238 6.068 -3.789
432 1HA GLY 53 2HA GLY 53 5.648 5.025 -1.448
433 2HA GLY 53 1HA GLY 53 3.916 4.761 -1.540
434 H GLN 54 H GLN 54 5.904 2.761 -1.408
435 HA GLN 54 HA GLN 54 5.372 1.381 -3.942
436 1HB GLN 54 2HB GLN 54 7.883 0.589 -2.657
437 2HB GLN 54 1HB GLN 54 7.543 0.919 -4.350
438 1HG GLN 54 2HG GLN 54 8.449 2.938 -4.228
439 2HG GLN 54 1HG GLN 54 7.530 3.342 -2.779
440 1HE2 GLN 54 1HE2 GLN 54 8.377 1.955 -0.814
441 2HE2 GLN 54 2HE2 GLN 54 10.085 2.048 -0.575
442 H LEU 55 H LEU 55 4.995 -0.841 -3.756
443 HA LEU 55 HA LEU 55 4.396 -1.707 -1.021
444 1HB LEU 55 2HB LEU 55 2.639 -1.727 -2.848
445 2HB LEU 55 1HB LEU 55 3.543 -3.036 -3.585
446 HG LEU 55 HG LEU 55 3.242 -4.326 -1.440
447 1HD1 LEU 55 1HD1 LEU 55 2.717 -2.299 -0.068
448 2HD1 LEU 55 2HD1 LEU 55 1.591 -3.641 0.131
449 3HD1 LEU 55 3HD1 LEU 55 1.140 -2.251 -0.856
450 1HD2 LEU 55 1HD2 LEU 55 0.787 -3.515 -2.991
451 2HD2 LEU 55 2HD2 LEU 55 0.910 -4.932 -1.947
452 3HD2 LEU 55 3HD2 LEU 55 1.909 -4.814 -3.395
453 H ILE 56 H ILE 56 6.058 -2.717 -0.107
454 HA ILE 56 HA ILE 56 7.766 -4.472 -1.703
455 HB ILE 56 HB ILE 56 8.027 -3.377 1.099
456 1HG1 ILE 56 2HG1 ILE 56 10.113 -2.388 0.187
457 2HG1 ILE 56 1HG1 ILE 56 9.742 -3.071 -1.392
458 1HG2 ILE 56 1HG2 ILE 56 9.550 -5.576 -0.243
459 2HG2 ILE 56 2HG2 ILE 56 8.900 -5.505 1.395
460 3HG2 ILE 56 3HG2 ILE 56 10.321 -4.553 0.968
461 1HD1 ILE 56 1HD1 ILE 56 9.179 -0.721 -1.312
462 2HD1 ILE 56 2HD1 ILE 56 8.129 -0.996 0.078
463 3HD1 ILE 56 3HD1 ILE 56 7.717 -1.692 -1.488
464 H SER 57 H SER 57 7.418 -6.596 -1.743
465 HA SER 57 HA SER 57 5.632 -7.782 0.226
466 1HB SER 57 2HB SER 57 4.958 -9.181 -1.401
467 2HB SER 57 1HB SER 57 5.811 -8.100 -2.506
468 HG SER 57 HG SER 57 6.299 -10.600 -2.205
469 H ILE 58 H ILE 58 6.487 -8.627 1.919
470 HA ILE 58 HA ILE 58 9.215 -9.707 1.796
471 HB ILE 58 HB ILE 58 7.676 -8.957 4.278
472 1HG1 ILE 58 2HG1 ILE 58 9.889 -7.352 3.001
473 2HG1 ILE 58 1HG1 ILE 58 8.192 -7.053 2.641
474 1HG2 ILE 58 1HG2 ILE 58 9.844 -10.566 4.059
475 2HG2 ILE 58 2HG2 ILE 58 9.471 -9.582 5.476
476 3HG2 ILE 58 3HG2 ILE 58 10.612 -8.992 4.268
477 1HD1 ILE 58 1HD1 ILE 58 9.113 -7.089 5.474
478 2HD1 ILE 58 2HD1 ILE 58 7.752 -6.238 4.744
479 3HD1 ILE 58 3HD1 ILE 58 9.399 -5.669 4.469
480 H GLN 59 H GLN 59 9.289 -11.813 1.524
481 HA GLN 59 HA GLN 59 7.180 -13.534 2.565
482 1HB GLN 59 2HB GLN 59 9.178 -13.700 0.445
483 2HB GLN 59 1HB GLN 59 9.115 -15.162 1.419
484 1HG GLN 59 2HG GLN 59 6.646 -15.210 1.033
485 2HG GLN 59 1HG GLN 59 6.863 -13.883 -0.106
486 1HE2 GLN 59 1HE2 GLN 59 9.022 -16.613 0.415
487 2HE2 GLN 59 2HE2 GLN 59 8.838 -17.295 -1.161
488 H GLN 60 H GLN 60 8.337 -15.813 3.283
489 HA GLN 60 HA GLN 60 9.352 -15.293 5.851
490 1HB GLN 60 2HB GLN 60 9.571 -17.642 6.103
491 2HB GLN 60 1HB GLN 60 8.166 -17.388 5.077
492 1HG GLN 60 2HG GLN 60 9.281 -18.124 3.166
493 2HG GLN 60 1HG GLN 60 10.868 -17.935 3.908
494 1HE2 GLN 60 1HE2 GLN 60 11.708 -19.563 5.113
495 2HE2 GLN 60 2HE2 GLN 60 10.952 -21.104 5.309
496 H TYR 61 H TYR 61 10.894 -15.294 2.825
497 HA TYR 61 HA TYR 61 13.544 -15.703 4.023
498 1HB TYR 61 2HB TYR 61 12.675 -15.630 1.128
499 2HB TYR 61 1HB TYR 61 14.341 -15.827 1.664
500 HD1 TYR 61 1HD TYR 61 14.220 -17.736 3.806
501 HD2 TYR 61 2HD TYR 61 11.933 -17.617 0.220
502 HE1 TYR 61 1HE TYR 61 13.886 -20.167 3.945
503 HE2 TYR 61 2HE TYR 61 11.593 -20.049 0.349
504 HH TYR 61 HH TYR 61 13.325 -22.066 1.932
505 H GLY 62 H GLY 62 11.494 -13.223 3.503
506 1HA GLY 62 2HA GLY 62 12.329 -10.999 4.089
507 2HA GLY 62 1HA GLY 62 13.714 -11.327 3.059
508 H HIS 63 H HIS 63 12.586 -9.030 2.520
509 HA HIS 63 HA HIS 63 10.334 -8.920 0.895
510 1HB HIS 63 2HB HIS 63 11.030 -6.764 0.263
511 2HB HIS 63 1HB HIS 63 11.714 -6.993 1.867
512 HD2 HIS 63 2HD HIS 63 14.428 -6.813 2.034
513 HE1 HIS 63 1HE HIS 63 15.112 -6.414 -2.123
514 HE2 HIS 63 2HE HIS 63 16.200 -6.500 0.166
515 H GLN 64 H GLN 64 10.149 -8.691 -1.450
516 HA GLN 64 HA GLN 64 12.292 -9.433 -3.156
517 1HB GLN 64 2HB GLN 64 10.977 -11.588 -3.917
518 2HB GLN 64 1HB GLN 64 12.159 -11.648 -2.617
519 1HG GLN 64 2HG GLN 64 10.337 -11.454 -0.980
520 2HG GLN 64 1HG GLN 64 9.171 -11.456 -2.302
521 1HE2 GLN 64 1HE2 GLN 64 11.614 -13.350 -0.648
522 2HE2 GLN 64 2HE2 GLN 64 11.017 -14.896 -1.134
523 H GLU 65 H GLU 65 9.361 -8.018 -2.681
524 HA GLU 65 HA GLU 65 8.970 -7.745 -5.568
525 1HB GLU 65 2HB GLU 65 7.383 -9.455 -4.069
526 2HB GLU 65 1HB GLU 65 6.423 -7.988 -4.171
527 1HG GLU 65 2HG GLU 65 6.595 -8.032 -6.607
528 2HG GLU 65 1HG GLU 65 7.573 -9.495 -6.514
529 H VAL 66 H VAL 66 9.069 -5.601 -5.923
530 HA VAL 66 HA VAL 66 7.433 -3.900 -4.200
531 HB VAL 66 HB VAL 66 9.468 -3.502 -3.226
532 1HG1 VAL 66 1HG1 VAL 66 10.640 -4.684 -5.239
533 2HG1 VAL 66 2HG1 VAL 66 11.527 -3.633 -4.133
534 3HG1 VAL 66 3HG1 VAL 66 11.004 -3.020 -5.705
535 1HG2 VAL 66 1HG2 VAL 66 9.886 -1.320 -5.152
536 2HG2 VAL 66 2HG2 VAL 66 9.633 -1.264 -3.407
537 3HG2 VAL 66 3HG2 VAL 66 8.255 -1.453 -4.492
538 H THR 67 H THR 67 6.412 -2.234 -5.140
539 HA THR 67 HA THR 67 6.998 -1.590 -7.942
540 HB THR 67 HB THR 67 4.200 -2.099 -6.905
541 HG1 THR 67 1HG THR 67 4.481 -3.863 -8.604
542 1HG2 THR 67 1HG2 THR 67 4.514 -2.125 -9.766
543 2HG2 THR 67 2HG2 THR 67 5.108 -0.603 -9.101
544 3HG2 THR 67 3HG2 THR 67 3.457 -1.126 -8.769
545 H ARG 68 H ARG 68 7.166 0.552 -8.205
546 HA ARG 68 HA ARG 68 6.384 2.320 -6.055
547 1HB ARG 68 2HB ARG 68 7.613 3.129 -8.683
548 2HB ARG 68 1HB ARG 68 7.671 3.986 -7.148
549 1HG ARG 68 2HG ARG 68 9.397 2.770 -6.383
550 2HG ARG 68 1HG ARG 68 8.813 1.279 -7.118
551 1HD ARG 68 2HD ARG 68 10.998 2.383 -7.996
552 2HD ARG 68 1HD ARG 68 9.831 1.715 -9.137
553 HE ARG 68 HE ARG 68 9.399 3.838 -9.903
554 1HH1 ARG 68 1HH1 ARG 68 11.234 4.023 -6.944
555 2HH1 ARG 68 2HH1 ARG 68 11.524 5.725 -7.081
556 1HH2 ARG 68 1HH2 ARG 68 9.772 6.078 -10.087
557 2HH2 ARG 68 2HH2 ARG 68 10.691 6.894 -8.867
558 H PHE 69 H PHE 69 4.865 3.904 -6.103
559 HA PHE 69 HA PHE 69 3.398 4.536 -8.508
560 1HB PHE 69 2HB PHE 69 1.182 4.004 -7.283
561 2HB PHE 69 1HB PHE 69 2.063 2.677 -8.032
562 HD1 PHE 69 1HD PHE 69 1.416 4.361 -4.797
563 HD2 PHE 69 2HD PHE 69 2.788 0.850 -6.772
564 HE1 PHE 69 1HE PHE 69 1.438 3.163 -2.645
565 HE2 PHE 69 2HE PHE 69 2.812 -0.353 -4.626
566 HZ PHE 69 HZ PHE 69 2.136 0.803 -2.560
567 H ASP 70 H ASP 70 1.930 6.330 -8.217
568 HA ASP 70 HA ASP 70 2.559 7.927 -5.821
569 1HB ASP 70 2HB ASP 70 2.234 8.690 -8.705
570 2HB ASP 70 1HB ASP 70 1.881 9.870 -7.446
571 H PHE 71 H PHE 71 0.876 8.612 -4.597
572 HA PHE 71 HA PHE 71 -1.784 8.737 -5.744
573 1HB PHE 71 2HB PHE 71 -2.767 7.059 -4.487
574 2HB PHE 71 1HB PHE 71 -1.213 6.348 -4.902
575 HD1 PHE 71 1HD PHE 71 -3.456 7.071 -2.285
576 HD2 PHE 71 2HD PHE 71 0.695 6.696 -3.154
577 HE1 PHE 71 1HE PHE 71 -2.993 6.701 0.103
578 HE2 PHE 71 2HE PHE 71 1.164 6.324 -0.768
579 HZ PHE 71 HZ PHE 71 -0.681 6.326 0.864
580 H THR 72 H THR 72 -3.405 9.555 -4.245
581 HA THR 72 HA THR 72 -2.440 10.936 -1.876
582 HB THR 72 HB THR 72 -3.878 12.976 -2.854
583 HG1 THR 72 1HG THR 72 -3.651 11.451 -4.957
584 1HG2 THR 72 1HG2 THR 72 -1.030 12.313 -2.769
585 2HG2 THR 72 2HG2 THR 72 -1.870 13.769 -2.235
586 3HG2 THR 72 3HG2 THR 72 -1.431 13.576 -3.932
587 H THR 73 H THR 73 -4.185 11.660 -0.493
588 HA THR 73 HA THR 73 -6.438 9.893 -0.598
589 HB THR 73 HB THR 73 -5.360 10.605 1.538
590 HG1 THR 73 1HG THR 73 -8.105 10.784 1.012
591 1HG2 THR 73 1HG2 THR 73 -6.531 12.897 2.306
592 2HG2 THR 73 2HG2 THR 73 -6.311 13.239 0.589
593 3HG2 THR 73 3HG2 THR 73 -4.920 12.829 1.592
594 H THR 74 H THR 74 -5.818 13.146 -1.592
595 HA THR 74 HA THR 74 -8.378 13.317 -2.880
596 HB THR 74 HB THR 74 -8.514 15.743 -1.618
597 HG1 THR 74 1HG THR 74 -8.322 14.174 0.624
598 1HG2 THR 74 1HG2 THR 74 -9.910 13.150 -1.381
599 2HG2 THR 74 2HG2 THR 74 -10.546 14.749 -1.765
600 3HG2 THR 74 3HG2 THR 74 -10.206 14.313 -0.090
601 H SER 75 H SER 75 -6.334 13.287 -4.357
602 HA SER 75 HA SER 75 -6.058 15.943 -5.404
603 1HB SER 75 2HB SER 75 -4.297 15.689 -3.527
604 2HB SER 75 1HB SER 75 -3.465 14.613 -4.649
605 HG SER 75 HG SER 75 -3.687 16.452 -6.179
606 H THR 76 H THR 76 -3.329 14.727 -6.494
607 HA THR 76 HA THR 76 -4.357 13.945 -8.995
608 HB THR 76 HB THR 76 -2.050 14.898 -8.512
609 HG1 THR 76 1HG THR 76 -1.783 12.573 -10.073
610 1HG2 THR 76 1HG2 THR 76 -0.716 13.745 -7.143
611 2HG2 THR 76 2HG2 THR 76 -0.587 12.512 -8.399
612 3HG2 THR 76 3HG2 THR 76 -1.818 12.367 -7.143
613 H SER 77 H SER 77 -3.023 11.772 -9.860
614 HA SER 77 HA SER 77 -3.046 9.510 -10.004
615 1HB SER 77 2HB SER 77 -2.398 8.361 -8.162
616 2HB SER 77 1HB SER 77 -2.271 9.964 -7.438
617 HG SER 77 HG SER 77 -3.664 8.097 -6.472
618 H THR 78 H THR 78 -4.473 7.672 -10.012
619 HA THR 78 HA THR 78 -7.217 8.099 -9.156
620 HB THR 78 HB THR 78 -7.592 7.161 -11.744
621 HG1 THR 78 1HG THR 78 -5.569 7.830 -12.428
622 1HG2 THR 78 1HG2 THR 78 -7.947 9.860 -10.467
623 2HG2 THR 78 2HG2 THR 78 -9.163 8.619 -10.770
624 3HG2 THR 78 3HG2 THR 78 -8.477 9.529 -12.117
625 HA PRO 79 HA PRO 79 -6.736 3.712 -8.632
626 1HB PRO 79 2HB PRO 79 -9.181 3.116 -7.733
627 2HB PRO 79 1HB PRO 79 -8.068 4.099 -6.773
628 1HG PRO 79 2HG PRO 79 -10.368 4.969 -8.482
629 2HG PRO 79 1HG PRO 79 -9.901 5.531 -6.866
630 1HD PRO 79 2HD PRO 79 -9.287 6.855 -9.195
631 2HD PRO 79 1HD PRO 79 -8.348 6.994 -7.696
632 H GLY 80 H GLY 80 -6.679 3.900 -11.195
633 1HA GLY 80 2HA GLY 80 -8.900 2.220 -12.176
634 2HA GLY 80 1HA GLY 80 -8.255 3.539 -13.141
635 H SER 81 H SER 81 -5.873 1.972 -11.331
636 HA SER 81 HA SER 81 -5.285 -0.022 -13.367
637 1HB SER 81 2HB SER 81 -4.156 2.459 -13.648
638 2HB SER 81 1HB SER 81 -2.925 1.608 -12.715
639 HG SER 81 HG SER 81 -3.377 -0.121 -14.425
640 H ARG 82 H ARG 82 -2.827 -0.826 -12.674
641 HA ARG 82 HA ARG 82 -1.734 -2.176 -11.206
642 1HB ARG 82 2HB ARG 82 -2.283 0.322 -9.806
643 2HB ARG 82 1HB ARG 82 -2.096 -1.035 -8.704
644 1HG ARG 82 2HG ARG 82 0.077 -0.475 -8.838
645 2HG ARG 82 1HG ARG 82 0.016 -1.460 -10.302
646 1HD ARG 82 2HD ARG 82 -0.824 1.247 -10.837
647 2HD ARG 82 1HD ARG 82 0.773 1.220 -10.091
648 HE ARG 82 HE ARG 82 1.157 -0.574 -11.960
649 1HH1 ARG 82 1HH1 ARG 82 -0.612 2.421 -12.198
650 2HH1 ARG 82 2HH1 ARG 82 -0.269 2.638 -13.882
651 1HH2 ARG 82 1HH2 ARG 82 1.611 -0.294 -14.178
652 2HH2 ARG 82 2HH2 ARG 82 0.993 1.096 -15.007
653 H SER 83 H SER 83 -3.384 -3.811 -11.591
654 HA SER 83 HA SER 83 -5.061 -4.292 -9.216
655 1HB SER 83 2HB SER 83 -6.078 -5.896 -11.253
656 2HB SER 83 1HB SER 83 -6.774 -4.384 -10.668
657 HG SER 83 HG SER 83 -6.366 -4.468 -12.973
658 H HIS 84 H HIS 84 -5.618 -6.747 -9.071
659 HA HIS 84 HA HIS 84 -3.170 -8.113 -8.610
660 1HB HIS 84 2HB HIS 84 -6.042 -8.650 -8.198
661 2HB HIS 84 1HB HIS 84 -5.040 -10.080 -8.420
662 HD2 HIS 84 2HD HIS 84 -2.657 -9.921 -6.590
663 HE1 HIS 84 1HE HIS 84 -5.099 -8.096 -3.655
664 HE2 HIS 84 2HE HIS 84 -2.991 -9.442 -4.063
665 H HIS 85 H HIS 85 -5.569 -8.207 -11.168
666 HA HIS 85 HA HIS 85 -3.727 -9.494 -12.943
667 1HB HIS 85 2HB HIS 85 -4.899 -11.340 -11.497
668 2HB HIS 85 1HB HIS 85 -6.270 -11.034 -12.559
669 HD2 HIS 85 2HD HIS 85 -2.435 -11.747 -13.255
670 HE1 HIS 85 1HE HIS 85 -4.869 -13.975 -15.906
671 HE2 HIS 85 2HE HIS 85 -2.499 -13.568 -15.102
672 H HIS 86 H HIS 86 -4.064 -8.709 -14.914
673 HA HIS 86 HA HIS 86 -6.397 -7.093 -15.425
674 1HB HIS 86 2HB HIS 86 -3.732 -7.195 -16.380
675 2HB HIS 86 1HB HIS 86 -4.783 -7.455 -17.768
676 HD2 HIS 86 2HD HIS 86 -5.212 -4.897 -14.782
677 HE1 HIS 86 1HE HIS 86 -5.397 -2.879 -18.500
678 HE2 HIS 86 2HE HIS 86 -5.718 -2.658 -15.993
679 H HIS 87 H HIS 87 -6.618 -7.490 -18.223
680 HA HIS 87 HA HIS 87 -8.209 -9.941 -18.215
681 1HB HIS 87 2HB HIS 87 -9.019 -8.938 -20.461
682 2HB HIS 87 1HB HIS 87 -9.527 -8.166 -18.963
683 HD2 HIS 87 2HD HIS 87 -6.550 -7.580 -21.505
684 HE1 HIS 87 1HE HIS 87 -8.072 -3.881 -20.120
685 HE2 HIS 87 2HE HIS 87 -6.271 -5.001 -21.509
686 H HIS 88 H HIS 88 -5.171 -8.966 -19.159
687 HA HIS 88 HA HIS 88 -4.895 -11.306 -20.870
688 1HB HIS 88 2HB HIS 88 -4.903 -8.596 -21.875
689 2HB HIS 88 1HB HIS 88 -3.351 -9.371 -22.177
690 HD2 HIS 88 2HD HIS 88 -3.357 -11.424 -24.019
691 HE1 HIS 88 1HE HIS 88 -7.440 -11.009 -25.047
692 HE2 HIS 88 2HE HIS 88 -5.285 -12.248 -25.543
693 H HIS 89 H HIS 89 -3.803 -9.361 -18.428
694 HA HIS 89 HA HIS 89 -1.938 -9.327 -17.135
695 1HB HIS 89 2HB HIS 89 -2.100 -11.690 -16.951
696 2HB HIS 89 1HB HIS 89 -1.512 -11.933 -18.591
697 HD2 HIS 89 2HD HIS 89 -0.016 -10.568 -15.199
698 HE1 HIS 89 1HE HIS 89 2.993 -12.494 -17.469
699 HE2 HIS 89 2HE HIS 89 2.414 -11.475 -15.220
Start of MODEL 28
1 1H MET 1 1HT MET 1 17.517 -16.064 -6.898
2 2H MET 1 2HT MET 1 15.877 -16.389 -7.157
3 3H MET 1 3HT MET 1 16.728 -17.232 -5.962
4 HA MET 1 HA MET 1 15.868 -15.755 -4.557
5 1HB MET 1 2HB MET 1 18.132 -14.379 -5.952
6 2HB MET 1 1HB MET 1 17.231 -13.505 -4.720
7 1HG MET 1 2HG MET 1 18.843 -14.389 -3.406
8 2HG MET 1 1HG MET 1 17.694 -15.723 -3.346
9 1HE MET 1 1HE MET 1 21.494 -14.840 -4.391
10 2HE MET 1 2HE MET 1 20.348 -14.191 -5.564
11 3HE MET 1 3HE MET 1 21.414 -15.521 -6.016
12 H ARG 2 H ARG 2 16.503 -13.566 -7.301
13 HA ARG 2 HA ARG 2 13.702 -12.670 -7.105
14 1HB ARG 2 2HB ARG 2 15.713 -11.079 -6.489
15 2HB ARG 2 1HB ARG 2 15.834 -10.904 -8.235
16 1HG ARG 2 2HG ARG 2 13.354 -10.320 -8.180
17 2HG ARG 2 1HG ARG 2 13.558 -10.151 -6.435
18 1HD ARG 2 2HD ARG 2 15.560 -8.763 -8.092
19 2HD ARG 2 1HD ARG 2 13.914 -8.141 -8.209
20 HE ARG 2 HE ARG 2 13.994 -7.555 -5.936
21 1HH1 ARG 2 1HH1 ARG 2 16.971 -8.994 -7.039
22 2HH1 ARG 2 2HH1 ARG 2 17.891 -8.441 -5.680
23 1HH2 ARG 2 1HH2 ARG 2 15.198 -6.823 -4.146
24 2HH2 ARG 2 2HH2 ARG 2 16.884 -7.207 -4.035
25 H GLY 3 H GLY 3 14.914 -14.808 -8.767
26 1HA GLY 3 2HA GLY 3 14.369 -13.668 -11.436
27 2HA GLY 3 1HA GLY 3 15.437 -15.032 -11.150
28 H SER 4 H SER 4 14.092 -16.744 -9.656
29 HA SER 4 HA SER 4 12.277 -17.939 -11.427
30 1HB SER 4 2HB SER 4 13.546 -19.226 -9.772
31 2HB SER 4 1HB SER 4 12.651 -18.449 -8.467
32 HG SER 4 HG SER 4 10.972 -19.680 -8.868
33 H ASN 5 H ASN 5 10.095 -17.976 -11.574
34 HA ASN 5 HA ASN 5 8.646 -15.824 -10.326
35 1HB ASN 5 2HB ASN 5 6.705 -16.880 -11.650
36 2HB ASN 5 1HB ASN 5 8.039 -16.183 -12.566
37 1HD2 ASN 5 1HD2 ASN 5 6.235 -18.985 -11.877
38 2HD2 ASN 5 2HD2 ASN 5 7.115 -20.083 -12.880
39 H ALA 6 H ALA 6 7.332 -15.919 -8.615
40 HA ALA 6 HA ALA 6 6.072 -18.366 -7.776
41 1HB ALA 6 1HB ALA 6 7.214 -18.830 -5.845
42 2HB ALA 6 2HB ALA 6 7.815 -17.181 -5.673
43 3HB ALA 6 3HB ALA 6 8.536 -18.263 -6.864
44 HA PRO 7 HA PRO 7 3.951 -14.393 -6.563
45 1HB PRO 7 2HB PRO 7 1.728 -14.659 -8.038
46 2HB PRO 7 1HB PRO 7 3.224 -14.018 -8.729
47 1HG PRO 7 2HG PRO 7 2.078 -16.777 -8.928
48 2HG PRO 7 1HG PRO 7 2.817 -15.779 -10.195
49 1HD PRO 7 2HD PRO 7 4.143 -17.771 -8.867
50 2HD PRO 7 1HD PRO 7 4.948 -16.357 -9.575
51 H GLN 8 H GLN 8 3.684 -17.592 -6.018
52 HA GLN 8 HA GLN 8 2.566 -18.876 -4.517
53 1HB GLN 8 2HB GLN 8 1.889 -16.123 -3.572
54 2HB GLN 8 1HB GLN 8 1.027 -17.491 -2.877
55 1HG GLN 8 2HG GLN 8 4.025 -17.297 -2.957
56 2HG GLN 8 1HG GLN 8 3.047 -16.713 -1.611
57 1HE2 GLN 8 1HE2 GLN 8 4.974 -19.106 -2.370
58 2HE2 GLN 8 2HE2 GLN 8 4.223 -20.433 -1.557
59 HA PRO 9 HA PRO 9 -1.275 -19.571 -6.622
60 1HB PRO 9 2HB PRO 9 -2.160 -21.707 -5.241
61 2HB PRO 9 1HB PRO 9 -0.781 -21.809 -6.344
62 1HG PRO 9 2HG PRO 9 -0.807 -21.556 -3.360
63 2HG PRO 9 1HG PRO 9 0.198 -22.597 -4.385
64 1HD PRO 9 2HD PRO 9 1.074 -20.239 -3.332
65 2HD PRO 9 1HD PRO 9 1.679 -20.905 -4.862
66 H SER 10 H SER 10 -1.018 -18.109 -3.732
67 HA SER 10 HA SER 10 -3.915 -17.748 -3.527
68 1HB SER 10 2HB SER 10 -2.195 -18.158 -1.075
69 2HB SER 10 1HB SER 10 -3.953 -18.035 -1.150
70 HG SER 10 HG SER 10 -2.310 -20.135 -2.103
71 H HIS 11 H HIS 11 -1.271 -16.677 -1.419
72 HA HIS 11 HA HIS 11 -1.149 -14.057 -2.566
73 1HB HIS 11 2HB HIS 11 -2.059 -12.809 -0.690
74 2HB HIS 11 1HB HIS 11 -3.284 -13.905 -1.319
75 HD2 HIS 11 2HD HIS 11 -4.320 -15.655 0.471
76 HE1 HIS 11 1HE HIS 11 -1.642 -14.760 3.625
77 HE2 HIS 11 2HE HIS 11 -3.826 -15.891 3.007
78 H ILE 12 H ILE 12 0.265 -12.598 -1.263
79 HA ILE 12 HA ILE 12 2.610 -14.011 -0.455
80 HB ILE 12 HB ILE 12 3.032 -11.978 -1.546
81 1HG1 ILE 12 2HG1 ILE 12 3.649 -10.486 0.731
82 2HG1 ILE 12 1HG1 ILE 12 3.715 -12.158 1.273
83 1HG2 ILE 12 1HG2 ILE 12 1.895 -9.966 0.096
84 2HG2 ILE 12 2HG2 ILE 12 0.635 -11.139 -0.289
85 3HG2 ILE 12 3HG2 ILE 12 1.533 -10.350 -1.587
86 1HD1 ILE 12 1HD1 ILE 12 5.779 -10.871 0.177
87 2HD1 ILE 12 2HD1 ILE 12 5.061 -11.573 -1.274
88 3HD1 ILE 12 3HD1 ILE 12 5.548 -12.615 0.063
89 H SER 13 H SER 13 3.592 -14.085 1.575
90 HA SER 13 HA SER 13 2.000 -14.568 3.780
91 1HB SER 13 2HB SER 13 4.860 -13.585 3.891
92 2HB SER 13 1HB SER 13 4.025 -14.564 5.097
93 HG SER 13 HG SER 13 4.797 -15.310 2.476
94 H LYS 14 H LYS 14 3.739 -11.579 2.928
95 HA LYS 14 HA LYS 14 1.764 -10.010 4.307
96 1HB LYS 14 2HB LYS 14 3.064 -9.087 6.017
97 2HB LYS 14 1HB LYS 14 3.453 -10.800 6.074
98 1HG LYS 14 2HG LYS 14 5.403 -10.023 4.452
99 2HG LYS 14 1HG LYS 14 5.136 -8.494 5.292
100 1HD LYS 14 2HD LYS 14 5.197 -10.039 7.424
101 2HD LYS 14 1HD LYS 14 6.107 -11.104 6.352
102 1HE LYS 14 2HE LYS 14 7.858 -9.900 7.122
103 2HE LYS 14 1HE LYS 14 7.361 -8.788 5.848
104 1HZ LYS 14 1HZ LYS 14 7.301 -8.447 8.694
105 2HZ LYS 14 2HZ LYS 14 5.824 -8.060 7.964
106 3HZ LYS 14 3HZ LYS 14 7.242 -7.284 7.465
107 H TYR 15 H TYR 15 1.733 -7.882 3.682
108 HA TYR 15 HA TYR 15 3.619 -7.137 1.544
109 1HB TYR 15 2HB TYR 15 0.759 -7.160 1.621
110 2HB TYR 15 1HB TYR 15 1.290 -5.488 1.492
111 HD1 TYR 15 1HD TYR 15 3.590 -5.554 -0.224
112 HD2 TYR 15 2HD TYR 15 0.041 -7.890 -0.445
113 HE1 TYR 15 1HE TYR 15 3.933 -5.837 -2.643
114 HE2 TYR 15 2HE TYR 15 0.376 -8.183 -2.863
115 HH TYR 15 HH TYR 15 1.621 -7.672 -4.624
116 H ILE 16 H ILE 16 4.568 -5.099 1.600
117 HA ILE 16 HA ILE 16 4.165 -3.602 4.092
118 HB ILE 16 HB ILE 16 6.521 -4.664 2.942
119 1HG1 ILE 16 2HG1 ILE 16 5.718 -4.262 5.372
120 2HG1 ILE 16 1HG1 ILE 16 7.434 -4.176 5.009
121 1HG2 ILE 16 1HG2 ILE 16 7.965 -2.845 2.583
122 2HG2 ILE 16 2HG2 ILE 16 6.765 -1.676 3.141
123 3HG2 ILE 16 3HG2 ILE 16 6.527 -2.530 1.613
124 1HD1 ILE 16 1HD1 ILE 16 6.599 -2.392 6.532
125 2HD1 ILE 16 2HD1 ILE 16 5.638 -1.770 5.191
126 3HD1 ILE 16 3HD1 ILE 16 7.398 -1.788 5.081
127 H LEU 17 H LEU 17 3.789 -1.453 4.026
128 HA LEU 17 HA LEU 17 3.696 -0.175 1.372
129 1HB LEU 17 2HB LEU 17 1.522 -0.724 2.955
130 2HB LEU 17 1HB LEU 17 1.907 0.920 3.429
131 HG LEU 17 HG LEU 17 1.923 0.652 0.545
132 1HD1 LEU 17 1HD1 LEU 17 -0.852 0.466 1.406
133 2HD1 LEU 17 2HD1 LEU 17 0.063 -1.017 1.679
134 3HD1 LEU 17 3HD1 LEU 17 -0.023 -0.318 0.061
135 1HD2 LEU 17 1HD2 LEU 17 1.692 2.691 2.130
136 2HD2 LEU 17 2HD2 LEU 17 -0.017 2.262 2.149
137 3HD2 LEU 17 3HD2 LEU 17 0.777 2.656 0.624
138 H ARG 18 H ARG 18 5.205 1.338 1.241
139 HA ARG 18 HA ARG 18 5.750 2.985 3.620
140 1HB ARG 18 2HB ARG 18 7.990 2.918 1.802
141 2HB ARG 18 1HB ARG 18 7.939 2.538 3.518
142 1HG ARG 18 2HG ARG 18 6.768 0.339 2.302
143 2HG ARG 18 1HG ARG 18 8.105 0.773 1.235
144 1HD ARG 18 2HD ARG 18 8.496 0.597 4.201
145 2HD ARG 18 1HD ARG 18 8.540 -0.853 3.197
146 HE ARG 18 HE ARG 18 10.238 1.150 2.135
147 1HH1 ARG 18 1HH1 ARG 18 10.021 -1.169 4.727
148 2HH1 ARG 18 2HH1 ARG 18 11.737 -1.353 4.878
149 1HH2 ARG 18 1HH2 ARG 18 12.497 0.912 2.326
150 2HH2 ARG 18 2HH2 ARG 18 13.144 -0.170 3.514
151 H TRP 19 H TRP 19 5.542 5.148 3.328
152 HA TRP 19 HA TRP 19 5.962 6.324 0.729
153 1HB TRP 19 2HB TRP 19 3.744 7.147 0.364
154 2HB TRP 19 1HB TRP 19 3.636 5.407 0.609
155 HD1 TRP 19 HD TRP 19 2.221 8.609 1.818
156 HE1 TRP 19 1HE TRP 19 0.687 8.205 3.846
157 HE3 TRP 19 3HE TRP 19 3.535 3.786 2.883
158 HZ2 TRP 19 2HZ TRP 19 0.117 6.123 5.662
159 HZ3 TRP 19 3HZ TRP 19 2.452 2.662 4.785
160 HH2 TRP 19 HH TRP 19 0.780 3.807 6.145
161 H ARG 20 H ARG 20 5.788 8.611 0.687
162 HA ARG 20 HA ARG 20 5.424 10.116 3.103
163 1HB ARG 20 2HB ARG 20 7.592 10.708 3.594
164 2HB ARG 20 1HB ARG 20 7.860 9.068 3.021
165 1HG ARG 20 2HG ARG 20 8.168 10.255 0.706
166 2HG ARG 20 1HG ARG 20 8.507 11.661 1.715
167 1HD ARG 20 2HD ARG 20 10.321 10.571 2.776
168 2HD ARG 20 1HD ARG 20 9.868 9.009 2.100
169 HE ARG 20 HE ARG 20 10.495 9.960 -0.102
170 1HH1 ARG 20 1HH1 ARG 20 11.784 11.352 2.820
171 2HH1 ARG 20 2HH1 ARG 20 13.197 11.987 2.048
172 1HH2 ARG 20 1HH2 ARG 20 12.356 10.789 -1.128
173 2HH2 ARG 20 2HH2 ARG 20 13.522 11.668 -0.196
174 HA PRO 21 HA PRO 21 4.437 13.347 0.253
175 1HB PRO 21 2HB PRO 21 6.276 15.208 1.653
176 2HB PRO 21 1HB PRO 21 4.540 15.352 1.359
177 1HG PRO 21 2HG PRO 21 5.476 14.786 3.794
178 2HG PRO 21 1HG PRO 21 3.987 14.040 3.187
179 1HD PRO 21 2HD PRO 21 6.735 12.879 3.413
180 2HD PRO 21 1HD PRO 21 5.161 12.118 3.722
181 H LYS 22 H LYS 22 5.288 12.979 -1.727
182 HA LYS 22 HA LYS 22 8.051 12.849 -2.298
183 1HB LYS 22 2HB LYS 22 5.995 11.932 -3.622
184 2HB LYS 22 1HB LYS 22 6.016 13.510 -4.398
185 1HG LYS 22 2HG LYS 22 8.365 13.110 -5.059
186 2HG LYS 22 1HG LYS 22 8.250 11.491 -4.367
187 1HD LYS 22 2HD LYS 22 7.394 10.745 -6.275
188 2HD LYS 22 1HD LYS 22 6.029 11.848 -6.090
189 1HE LYS 22 2HE LYS 22 7.128 12.203 -8.229
190 2HE LYS 22 1HE LYS 22 7.319 13.617 -7.193
191 1HZ LYS 22 1HZ LYS 22 9.490 13.451 -7.514
192 2HZ LYS 22 2HZ LYS 22 9.317 12.005 -8.373
193 3HZ LYS 22 3HZ LYS 22 9.490 11.973 -6.691
194 H ASN 23 H ASN 23 5.861 15.484 -2.020
195 HA ASN 23 HA ASN 23 7.538 17.320 -3.520
196 1HB ASN 23 2HB ASN 23 4.936 17.351 -3.321
197 2HB ASN 23 1HB ASN 23 5.234 18.162 -1.787
198 1HD2 ASN 23 1HD2 ASN 23 6.559 20.117 -1.860
199 2HD2 ASN 23 2HD2 ASN 23 6.445 21.143 -3.245
200 H SER 24 H SER 24 7.240 16.155 -0.334
201 HA SER 24 HA SER 24 9.013 18.295 0.642
202 1HB SER 24 2HB SER 24 7.345 16.817 2.608
203 2HB SER 24 1HB SER 24 7.850 18.507 2.603
204 HG SER 24 HG SER 24 6.320 18.525 0.642
205 H VAL 25 H VAL 25 9.456 17.036 3.172
206 HA VAL 25 HA VAL 25 10.407 14.374 2.819
207 HB VAL 25 HB VAL 25 12.134 15.588 1.524
208 1HG1 VAL 25 1HG1 VAL 25 11.916 17.540 3.405
209 2HG1 VAL 25 2HG1 VAL 25 13.251 17.389 2.263
210 3HG1 VAL 25 3HG1 VAL 25 13.411 16.744 3.896
211 1HG2 VAL 25 1HG2 VAL 25 12.507 13.702 3.586
212 2HG2 VAL 25 2HG2 VAL 25 13.877 14.811 3.649
213 3HG2 VAL 25 3HG2 VAL 25 13.501 13.958 2.152
214 H GLY 26 H GLY 26 10.807 13.407 4.767
215 1HA GLY 26 2HA GLY 26 11.617 14.775 7.106
216 2HA GLY 26 1HA GLY 26 9.870 14.594 7.109
217 H ARG 27 H ARG 27 9.260 12.203 6.343
218 HA ARG 27 HA ARG 27 11.032 10.138 7.205
219 1HB ARG 27 2HB ARG 27 9.518 9.387 9.104
220 2HB ARG 27 1HB ARG 27 10.527 10.791 9.418
221 1HG ARG 27 2HG ARG 27 8.432 12.132 8.660
222 2HG ARG 27 1HG ARG 27 7.575 10.632 9.023
223 1HD ARG 27 2HD ARG 27 8.386 10.661 11.291
224 2HD ARG 27 1HD ARG 27 9.404 12.060 10.949
225 HE ARG 27 HE ARG 27 6.460 12.090 11.067
226 1HH1 ARG 27 1HH1 ARG 27 9.542 13.712 11.215
227 2HH1 ARG 27 2HH1 ARG 27 8.866 15.226 11.716
228 1HH2 ARG 27 1HH2 ARG 27 5.562 14.080 11.732
229 2HH2 ARG 27 2HH2 ARG 27 6.605 15.435 12.010
230 H TRP 28 H TRP 28 10.101 8.009 7.004
231 HA TRP 28 HA TRP 28 8.005 7.950 4.976
232 1HB TRP 28 2HB TRP 28 9.936 5.864 6.002
233 2HB TRP 28 1HB TRP 28 8.655 5.498 4.853
234 HD1 TRP 28 HD TRP 28 11.806 7.741 5.107
235 HE1 TRP 28 1HE TRP 28 12.765 8.028 2.736
236 HE3 TRP 28 3HE TRP 28 8.187 5.281 2.461
237 HZ2 TRP 28 2HZ TRP 28 12.080 7.308 0.095
238 HZ3 TRP 28 3HZ TRP 28 8.415 5.127 0.015
239 HH2 TRP 28 HH TRP 28 10.322 6.121 -1.142
240 H LYS 29 H LYS 29 6.526 5.941 5.131
241 HA LYS 29 HA LYS 29 5.646 5.491 7.900
242 1HB LYS 29 2HB LYS 29 3.894 6.230 5.545
243 2HB LYS 29 1HB LYS 29 3.276 5.606 7.068
244 1HG LYS 29 2HG LYS 29 4.810 7.675 7.928
245 2HG LYS 29 1HG LYS 29 4.233 8.285 6.376
246 1HD LYS 29 2HD LYS 29 2.064 8.364 7.057
247 2HD LYS 29 1HD LYS 29 2.242 6.982 8.141
248 1HE LYS 29 2HE LYS 29 1.946 8.793 9.584
249 2HE LYS 29 1HE LYS 29 3.691 8.543 9.571
250 1HZ LYS 29 1HZ LYS 29 3.917 10.638 8.942
251 2HZ LYS 29 2HZ LYS 29 2.241 10.846 8.856
252 3HZ LYS 29 3HZ LYS 29 3.095 10.301 7.502
253 H GLU 30 H GLU 30 5.373 3.357 8.321
254 HA GLU 30 HA GLU 30 5.177 1.569 5.989
255 1HB GLU 30 2HB GLU 30 6.304 0.447 8.470
256 2HB GLU 30 1HB GLU 30 6.795 0.213 6.797
257 1HG GLU 30 2HG GLU 30 8.292 1.897 6.857
258 2HG GLU 30 1HG GLU 30 7.307 2.883 7.936
259 H ALA 31 H ALA 31 3.593 0.173 5.891
260 HA ALA 31 HA ALA 31 2.140 -0.599 8.314
261 1HB ALA 31 1HB ALA 31 0.832 1.213 7.396
262 2HB ALA 31 2HB ALA 31 -0.014 -0.310 7.120
263 3HB ALA 31 3HB ALA 31 0.857 0.467 5.799
264 H THR 32 H THR 32 2.393 -2.732 8.379
265 HA THR 32 HA THR 32 2.634 -4.251 5.903
266 HB THR 32 HB THR 32 2.878 -5.361 8.692
267 HG1 THR 32 1HG THR 32 4.325 -3.494 8.167
268 1HG2 THR 32 1HG2 THR 32 3.858 -6.223 5.976
269 2HG2 THR 32 2HG2 THR 32 2.735 -7.071 7.040
270 3HG2 THR 32 3HG2 THR 32 4.437 -6.931 7.483
271 H ILE 33 H ILE 33 1.126 -5.549 5.110
272 HA ILE 33 HA ILE 33 -1.088 -6.407 6.824
273 HB ILE 33 HB ILE 33 -1.471 -5.261 4.055
274 1HG1 ILE 33 2HG1 ILE 33 -2.973 -3.716 5.705
275 2HG1 ILE 33 1HG1 ILE 33 -1.616 -4.086 6.765
276 1HG2 ILE 33 1HG2 ILE 33 -3.526 -6.122 4.054
277 2HG2 ILE 33 2HG2 ILE 33 -3.827 -5.601 5.711
278 3HG2 ILE 33 3HG2 ILE 33 -3.000 -7.128 5.404
279 1HD1 ILE 33 1HD1 ILE 33 -0.145 -2.880 5.530
280 2HD1 ILE 33 2HD1 ILE 33 -1.623 -1.987 5.169
281 3HD1 ILE 33 3HD1 ILE 33 -1.003 -3.170 4.016
282 HA PRO 34 HA PRO 34 0.494 -10.301 5.139
283 1HB PRO 34 2HB PRO 34 -2.151 -11.057 6.319
284 2HB PRO 34 1HB PRO 34 -0.593 -11.876 6.440
285 1HG PRO 34 2HG PRO 34 -1.496 -10.414 8.460
286 2HG PRO 34 1HG PRO 34 0.222 -10.387 8.021
287 1HD PRO 34 2HD PRO 34 -1.880 -8.334 7.571
288 2HD PRO 34 1HD PRO 34 -0.138 -8.130 7.837
289 H GLY 35 H GLY 35 0.216 -9.716 2.923
290 1HA GLY 35 2HA GLY 35 -0.840 -9.638 0.865
291 2HA GLY 35 1HA GLY 35 -1.331 -11.252 1.350
292 H HIS 36 H HIS 36 -2.382 -8.116 2.655
293 HA HIS 36 HA HIS 36 -4.462 -7.225 2.935
294 1HB HIS 36 2HB HIS 36 -4.070 -7.493 0.267
295 2HB HIS 36 1HB HIS 36 -5.535 -8.450 0.462
296 HD2 HIS 36 2HD HIS 36 -7.197 -6.616 2.513
297 HE1 HIS 36 1HE HIS 36 -6.493 -3.532 -0.298
298 HE2 HIS 36 2HE HIS 36 -8.016 -4.348 1.558
299 H LEU 37 H LEU 37 -4.174 -9.495 4.369
300 HA LEU 37 HA LEU 37 -6.181 -11.441 3.859
301 1HB LEU 37 2HB LEU 37 -5.592 -12.419 5.939
302 2HB LEU 37 1HB LEU 37 -4.118 -11.861 5.182
303 HG LEU 37 HG LEU 37 -3.833 -11.339 7.434
304 1HD1 LEU 37 1HD1 LEU 37 -4.761 -8.932 5.918
305 2HD1 LEU 37 2HD1 LEU 37 -3.121 -9.430 6.346
306 3HD1 LEU 37 3HD1 LEU 37 -4.205 -8.801 7.588
307 1HD2 LEU 37 1HD2 LEU 37 -6.162 -9.766 8.062
308 2HD2 LEU 37 2HD2 LEU 37 -5.485 -11.163 8.898
309 3HD2 LEU 37 3HD2 LEU 37 -6.612 -11.395 7.561
310 H ASN 38 H ASN 38 -6.214 -8.364 5.435
311 HA ASN 38 HA ASN 38 -9.035 -8.816 6.118
312 1HB ASN 38 2HB ASN 38 -8.816 -7.666 8.219
313 2HB ASN 38 1HB ASN 38 -7.610 -8.947 8.171
314 1HD2 ASN 38 1HD2 ASN 38 -8.108 -5.490 7.796
315 2HD2 ASN 38 2HD2 ASN 38 -6.486 -5.029 8.170
316 H SER 39 H SER 39 -10.172 -6.690 6.570
317 HA SER 39 HA SER 39 -9.687 -4.940 4.340
318 1HB SER 39 2HB SER 39 -11.975 -5.361 4.790
319 2HB SER 39 1HB SER 39 -11.783 -5.019 6.509
320 HG SER 39 HG SER 39 -12.763 -3.322 5.140
321 H TYR 40 H TYR 40 -8.030 -3.561 4.510
322 HA TYR 40 HA TYR 40 -7.855 -1.937 6.956
323 1HB TYR 40 2HB TYR 40 -5.518 -1.980 6.910
324 2HB TYR 40 1HB TYR 40 -5.959 -3.626 6.484
325 HD1 TYR 40 1HD TYR 40 -5.530 -4.494 4.261
326 HD2 TYR 40 2HD TYR 40 -4.555 -0.470 5.253
327 HE1 TYR 40 1HE TYR 40 -4.166 -4.322 2.220
328 HE2 TYR 40 2HE TYR 40 -3.192 -0.288 3.218
329 HH TYR 40 HH TYR 40 -1.977 -1.819 1.674
330 H THR 41 H THR 41 -7.964 0.209 6.716
331 HA THR 41 HA THR 41 -8.095 1.256 3.979
332 HB THR 41 HB THR 41 -10.061 1.643 5.433
333 HG1 THR 41 1HG THR 41 -9.885 4.093 5.168
334 1HG2 THR 41 1HG2 THR 41 -8.924 3.780 7.009
335 2HG2 THR 41 2HG2 THR 41 -8.146 2.239 7.376
336 3HG2 THR 41 3HG2 THR 41 -9.896 2.402 7.524
337 H ILE 42 H ILE 42 -6.907 3.039 3.324
338 HA ILE 42 HA ILE 42 -4.477 3.527 4.850
339 HB ILE 42 HB ILE 42 -5.296 3.915 2.016
340 1HG1 ILE 42 2HG1 ILE 42 -2.589 3.202 3.124
341 2HG1 ILE 42 1HG1 ILE 42 -3.884 2.012 3.022
342 1HG2 ILE 42 1HG2 ILE 42 -4.539 6.033 1.973
343 2HG2 ILE 42 2HG2 ILE 42 -2.946 5.275 2.007
344 3HG2 ILE 42 3HG2 ILE 42 -3.675 5.862 3.502
345 1HD1 ILE 42 1HD1 ILE 42 -2.357 3.344 0.842
346 2HD1 ILE 42 2HD1 ILE 42 -3.996 2.770 0.532
347 3HD1 ILE 42 3HD1 ILE 42 -2.751 1.640 1.067
348 H LYS 43 H LYS 43 -3.940 5.448 5.781
349 HA LYS 43 HA LYS 43 -5.934 7.228 6.572
350 1HB LYS 43 2HB LYS 43 -3.531 6.803 7.504
351 2HB LYS 43 1HB LYS 43 -3.069 8.091 6.402
352 1HG LYS 43 2HG LYS 43 -3.602 9.528 8.002
353 2HG LYS 43 1HG LYS 43 -5.290 9.084 7.745
354 1HD LYS 43 2HD LYS 43 -3.735 7.245 9.443
355 2HD LYS 43 1HD LYS 43 -4.008 8.855 10.114
356 1HE LYS 43 2HE LYS 43 -6.412 8.598 9.744
357 2HE LYS 43 1HE LYS 43 -6.139 6.991 9.072
358 1HZ LYS 43 1HZ LYS 43 -5.288 7.709 11.814
359 2HZ LYS 43 2HZ LYS 43 -5.482 6.167 11.147
360 3HZ LYS 43 3HZ LYS 43 -6.839 7.118 11.483
361 H GLY 44 H GLY 44 -6.946 8.819 5.551
362 1HA GLY 44 2HA GLY 44 -6.569 9.471 2.877
363 2HA GLY 44 1HA GLY 44 -7.439 10.467 4.032
364 H LEU 45 H LEU 45 -5.635 11.170 1.780
365 HA LEU 45 HA LEU 45 -3.480 12.536 3.234
366 1HB LEU 45 2HB LEU 45 -3.730 12.411 0.241
367 2HB LEU 45 1HB LEU 45 -2.294 12.684 1.212
368 HG LEU 45 HG LEU 45 -3.775 10.057 1.099
369 1HD1 LEU 45 1HD1 LEU 45 -2.039 11.255 -0.821
370 2HD1 LEU 45 2HD1 LEU 45 -2.805 9.666 -0.852
371 3HD1 LEU 45 3HD1 LEU 45 -1.229 9.870 -0.088
372 1HD2 LEU 45 1HD2 LEU 45 -1.978 9.141 2.295
373 2HD2 LEU 45 2HD2 LEU 45 -2.355 10.648 3.131
374 3HD2 LEU 45 3HD2 LEU 45 -0.970 10.566 2.041
375 H LYS 46 H LYS 46 -2.909 14.742 2.173
376 HA LYS 46 HA LYS 46 -5.349 16.318 2.201
377 1HB LYS 46 2HB LYS 46 -3.575 16.983 3.739
378 2HB LYS 46 1HB LYS 46 -2.461 17.170 2.391
379 1HG LYS 46 2HG LYS 46 -4.048 18.915 1.487
380 2HG LYS 46 1HG LYS 46 -4.868 18.840 3.048
381 1HD LYS 46 2HD LYS 46 -3.374 20.259 3.880
382 2HD LYS 46 1HD LYS 46 -2.098 19.081 3.563
383 1HE LYS 46 2HE LYS 46 -1.468 21.087 2.463
384 2HE LYS 46 1HE LYS 46 -2.009 19.966 1.213
385 1HZ LYS 46 1HZ LYS 46 -3.809 21.222 0.738
386 2HZ LYS 46 2HZ LYS 46 -2.840 22.465 1.349
387 3HZ LYS 46 3HZ LYS 46 -4.020 21.755 2.331
388 HA PRO 47 HA PRO 47 -5.284 16.670 -2.246
389 1HB PRO 47 2HB PRO 47 -6.967 19.054 -1.724
390 2HB PRO 47 1HB PRO 47 -7.305 17.635 -2.719
391 1HG PRO 47 2HG PRO 47 -8.513 17.984 -0.365
392 2HG PRO 47 1HG PRO 47 -8.017 16.371 -0.916
393 1HD PRO 47 2HD PRO 47 -6.721 18.175 1.089
394 2HD PRO 47 1HD PRO 47 -6.919 16.411 1.121
395 H GLY 48 H GLY 48 -3.406 17.413 -3.051
396 1HA GLY 48 2HA GLY 48 -2.591 19.505 -4.163
397 2HA GLY 48 1HA GLY 48 -2.742 20.253 -2.581
398 H VAL 49 H VAL 49 -1.751 17.274 -1.838
399 HA VAL 49 HA VAL 49 1.102 17.989 -2.054
400 HB VAL 49 HB VAL 49 0.215 16.126 0.082
401 1HG1 VAL 49 1HG1 VAL 49 2.468 17.906 -0.517
402 2HG1 VAL 49 2HG1 VAL 49 2.424 16.386 0.376
403 3HG1 VAL 49 3HG1 VAL 49 1.967 17.890 1.173
404 1HG2 VAL 49 1HG2 VAL 49 -1.436 17.721 0.501
405 2HG2 VAL 49 2HG2 VAL 49 -0.384 19.064 0.053
406 3HG2 VAL 49 3HG2 VAL 49 -0.111 18.196 1.564
407 H VAL 50 H VAL 50 2.484 16.510 -2.864
408 HA VAL 50 HA VAL 50 1.371 14.138 -4.074
409 HB VAL 50 HB VAL 50 4.289 14.893 -4.000
410 1HG1 VAL 50 1HG1 VAL 50 2.695 13.375 -6.060
411 2HG1 VAL 50 2HG1 VAL 50 3.653 12.623 -4.784
412 3HG1 VAL 50 3HG1 VAL 50 4.444 13.602 -6.020
413 1HG2 VAL 50 1HG2 VAL 50 2.047 16.124 -5.490
414 2HG2 VAL 50 2HG2 VAL 50 3.524 15.804 -6.398
415 3HG2 VAL 50 3HG2 VAL 50 3.578 16.822 -4.959
416 H TYR 51 H TYR 51 1.651 12.055 -3.445
417 HA TYR 51 HA TYR 51 3.368 11.544 -1.112
418 1HB TYR 51 2HB TYR 51 0.466 11.098 -1.401
419 2HB TYR 51 1HB TYR 51 1.366 9.737 -0.740
420 HD1 TYR 51 1HD TYR 51 3.017 10.340 1.221
421 HD2 TYR 51 2HD TYR 51 -0.288 12.745 0.039
422 HE1 TYR 51 1HE TYR 51 3.006 11.404 3.439
423 HE2 TYR 51 2HE TYR 51 -0.308 13.815 2.253
424 HH TYR 51 HH TYR 51 1.407 12.600 4.899
425 H GLU 52 H GLU 52 4.972 10.503 -2.212
426 HA GLU 52 HA GLU 52 4.306 8.404 -4.092
427 1HB GLU 52 2HB GLU 52 6.573 8.382 -4.713
428 2HB GLU 52 1HB GLU 52 6.218 10.074 -4.396
429 1HG GLU 52 2HG GLU 52 7.507 10.133 -2.503
430 2HG GLU 52 1HG GLU 52 7.342 8.404 -2.203
431 H GLY 53 H GLY 53 4.347 6.289 -3.694
432 1HA GLY 53 2HA GLY 53 5.639 5.326 -1.247
433 2HA GLY 53 1HA GLY 53 3.930 4.994 -1.474
434 H GLN 54 H GLN 54 6.048 3.103 -1.187
435 HA GLN 54 HA GLN 54 5.801 1.720 -3.770
436 1HB GLN 54 2HB GLN 54 8.082 0.677 -2.562
437 2HB GLN 54 1HB GLN 54 8.032 1.766 -3.941
438 1HG GLN 54 2HG GLN 54 8.129 3.680 -2.386
439 2HG GLN 54 1HG GLN 54 8.286 2.544 -1.046
440 1HE2 GLN 54 1HE2 GLN 54 9.787 3.541 -4.081
441 2HE2 GLN 54 2HE2 GLN 54 11.406 3.161 -3.613
442 H LEU 55 H LEU 55 5.091 -0.333 -3.684
443 HA LEU 55 HA LEU 55 4.434 -1.397 -1.037
444 1HB LEU 55 2HB LEU 55 2.726 -1.092 -2.940
445 2HB LEU 55 1HB LEU 55 3.486 -2.494 -3.668
446 HG LEU 55 HG LEU 55 2.983 -3.732 -1.508
447 1HD1 LEU 55 1HD1 LEU 55 1.655 -1.130 -0.988
448 2HD1 LEU 55 2HD1 LEU 55 2.474 -2.228 0.122
449 3HD1 LEU 55 3HD1 LEU 55 0.847 -2.602 -0.448
450 1HD2 LEU 55 1HD2 LEU 55 0.554 -2.751 -2.990
451 2HD2 LEU 55 2HD2 LEU 55 0.796 -4.314 -2.208
452 3HD2 LEU 55 3HD2 LEU 55 1.702 -3.909 -3.665
453 H ILE 56 H ILE 56 6.014 -2.645 -0.234
454 HA ILE 56 HA ILE 56 7.465 -4.414 -2.066
455 HB ILE 56 HB ILE 56 8.153 -3.573 0.757
456 1HG1 ILE 56 2HG1 ILE 56 10.243 -2.923 -0.937
457 2HG1 ILE 56 1HG1 ILE 56 8.824 -2.601 -1.917
458 1HG2 ILE 56 1HG2 ILE 56 9.980 -4.972 0.727
459 2HG2 ILE 56 2HG2 ILE 56 10.002 -5.063 -1.034
460 3HG2 ILE 56 3HG2 ILE 56 8.787 -5.960 -0.121
461 1HD1 ILE 56 1HD1 ILE 56 9.963 -0.963 0.049
462 2HD1 ILE 56 2HD1 ILE 56 8.416 -1.516 0.691
463 3HD1 ILE 56 3HD1 ILE 56 8.481 -0.688 -0.865
464 H SER 57 H SER 57 6.764 -6.407 -2.217
465 HA SER 57 HA SER 57 5.110 -7.621 -0.204
466 1HB SER 57 2HB SER 57 4.357 -8.726 -2.005
467 2HB SER 57 1HB SER 57 5.600 -7.956 -2.994
468 HG SER 57 HG SER 57 6.164 -10.000 -3.197
469 H ILE 58 H ILE 58 5.985 -8.481 1.523
470 HA ILE 58 HA ILE 58 8.664 -9.672 1.348
471 HB ILE 58 HB ILE 58 7.170 -8.866 3.843
472 1HG1 ILE 58 2HG1 ILE 58 9.505 -7.415 2.607
473 2HG1 ILE 58 1HG1 ILE 58 7.843 -7.012 2.189
474 1HG2 ILE 58 1HG2 ILE 58 8.800 -9.849 4.989
475 2HG2 ILE 58 2HG2 ILE 58 10.030 -8.981 4.069
476 3HG2 ILE 58 3HG2 ILE 58 9.402 -10.518 3.473
477 1HD1 ILE 58 1HD1 ILE 58 7.658 -6.900 4.851
478 2HD1 ILE 58 2HD1 ILE 58 8.126 -5.523 3.852
479 3HD1 ILE 58 3HD1 ILE 58 9.362 -6.488 4.659
480 H GLN 59 H GLN 59 8.929 -11.770 1.490
481 HA GLN 59 HA GLN 59 6.701 -13.431 2.467
482 1HB GLN 59 2HB GLN 59 8.184 -13.531 0.039
483 2HB GLN 59 1HB GLN 59 8.582 -14.971 0.967
484 1HG GLN 59 2HG GLN 59 6.150 -15.415 1.208
485 2HG GLN 59 1HG GLN 59 5.846 -14.052 0.132
486 1HE2 GLN 59 1HE2 GLN 59 7.767 -17.031 0.278
487 2HE2 GLN 59 2HE2 GLN 59 7.529 -17.468 -1.376
488 H GLN 60 H GLN 60 7.832 -15.795 2.913
489 HA GLN 60 HA GLN 60 9.123 -15.485 5.382
490 1HB GLN 60 2HB GLN 60 9.610 -17.972 5.120
491 2HB GLN 60 1HB GLN 60 7.921 -17.486 5.056
492 1HG GLN 60 2HG GLN 60 7.674 -18.166 2.940
493 2HG GLN 60 1HG GLN 60 9.255 -17.557 2.453
494 1HE2 GLN 60 1HE2 GLN 60 8.488 -19.875 1.405
495 2HE2 GLN 60 2HE2 GLN 60 9.348 -21.200 2.105
496 H TYR 61 H TYR 61 10.400 -15.062 2.318
497 HA TYR 61 HA TYR 61 13.091 -15.931 3.079
498 1HB TYR 61 2HB TYR 61 11.893 -15.056 0.452
499 2HB TYR 61 1HB TYR 61 13.624 -15.287 0.673
500 HD1 TYR 61 1HD TYR 61 10.689 -16.825 -0.409
501 HD2 TYR 61 2HD TYR 61 14.240 -17.645 1.788
502 HE1 TYR 61 1HE TYR 61 10.423 -19.223 -0.885
503 HE2 TYR 61 2HE TYR 61 13.985 -20.044 1.317
504 HH TYR 61 HH TYR 61 11.485 -21.236 -0.850
505 H GLY 62 H GLY 62 11.213 -13.221 3.333
506 1HA GLY 62 2HA GLY 62 11.708 -11.078 3.999
507 2HA GLY 62 1HA GLY 62 13.386 -11.576 4.129
508 H HIS 63 H HIS 63 11.137 -9.745 2.400
509 HA HIS 63 HA HIS 63 11.285 -8.338 0.622
510 1HB HIS 63 2HB HIS 63 14.265 -8.767 0.890
511 2HB HIS 63 1HB HIS 63 13.478 -7.445 0.034
512 HD2 HIS 63 2HD HIS 63 11.948 -5.713 1.813
513 HE1 HIS 63 1HE HIS 63 14.433 -6.710 5.090
514 HE2 HIS 63 2HE HIS 63 12.569 -5.195 4.277
515 H GLN 64 H GLN 64 10.653 -8.879 -1.365
516 HA GLN 64 HA GLN 64 12.376 -10.419 -3.087
517 1HB GLN 64 2HB GLN 64 9.964 -11.803 -3.406
518 2HB GLN 64 1HB GLN 64 11.466 -12.423 -2.737
519 1HG GLN 64 2HG GLN 64 10.146 -10.995 -0.682
520 2HG GLN 64 1HG GLN 64 8.958 -12.046 -1.457
521 1HE2 GLN 64 1HE2 GLN 64 9.961 -14.304 -1.962
522 2HE2 GLN 64 2HE2 GLN 64 10.770 -15.046 -0.628
523 H GLU 65 H GLU 65 9.622 -8.397 -2.574
524 HA GLU 65 HA GLU 65 9.588 -7.795 -5.433
525 1HB GLU 65 2HB GLU 65 7.635 -9.415 -4.233
526 2HB GLU 65 1HB GLU 65 6.880 -7.841 -4.436
527 1HG GLU 65 2HG GLU 65 7.995 -8.105 -6.856
528 2HG GLU 65 1HG GLU 65 7.750 -9.804 -6.458
529 H VAL 66 H VAL 66 9.778 -5.674 -5.672
530 HA VAL 66 HA VAL 66 8.253 -3.961 -3.877
531 HB VAL 66 HB VAL 66 10.163 -3.615 -2.801
532 1HG1 VAL 66 1HG1 VAL 66 12.203 -4.292 -3.349
533 2HG1 VAL 66 2HG1 VAL 66 12.092 -3.686 -5.004
534 3HG1 VAL 66 3HG1 VAL 66 11.303 -5.203 -4.562
535 1HG2 VAL 66 1HG2 VAL 66 10.734 -1.472 -3.159
536 2HG2 VAL 66 2HG2 VAL 66 9.542 -1.555 -4.458
537 3HG2 VAL 66 3HG2 VAL 66 11.254 -1.792 -4.815
538 H THR 67 H THR 67 7.248 -2.313 -4.819
539 HA THR 67 HA THR 67 8.083 -1.442 -7.492
540 HB THR 67 HB THR 67 5.269 -2.251 -6.730
541 HG1 THR 67 1HG THR 67 7.004 -3.799 -7.560
542 1HG2 THR 67 1HG2 THR 67 5.095 -1.670 -9.351
543 2HG2 THR 67 2HG2 THR 67 6.297 -0.475 -8.862
544 3HG2 THR 67 3HG2 THR 67 4.717 -0.509 -8.078
545 H ARG 68 H ARG 68 8.127 0.720 -7.667
546 HA ARG 68 HA ARG 68 6.987 2.289 -5.477
547 1HB ARG 68 2HB ARG 68 8.532 3.735 -7.505
548 2HB ARG 68 1HB ARG 68 8.682 3.746 -5.753
549 1HG ARG 68 2HG ARG 68 9.864 1.569 -5.899
550 2HG ARG 68 1HG ARG 68 9.808 1.716 -7.654
551 1HD ARG 68 2HD ARG 68 11.139 3.643 -5.755
552 2HD ARG 68 1HD ARG 68 11.962 2.456 -6.766
553 HE ARG 68 HE ARG 68 10.294 4.343 -8.189
554 1HH1 ARG 68 1HH1 ARG 68 13.483 3.592 -7.000
555 2HH1 ARG 68 2HH1 ARG 68 14.286 4.648 -8.112
556 1HH2 ARG 68 1HH2 ARG 68 11.345 5.730 -9.662
557 2HH2 ARG 68 2HH2 ARG 68 13.072 5.863 -9.626
558 H PHE 69 H PHE 69 5.673 4.055 -5.798
559 HA PHE 69 HA PHE 69 4.680 4.732 -8.422
560 1HB PHE 69 2HB PHE 69 2.278 4.289 -7.731
561 2HB PHE 69 1HB PHE 69 3.249 2.869 -8.103
562 HD1 PHE 69 1HD PHE 69 1.686 4.820 -5.411
563 HD2 PHE 69 2HD PHE 69 3.779 1.256 -6.427
564 HE1 PHE 69 1HE PHE 69 1.119 3.865 -3.214
565 HE2 PHE 69 2HE PHE 69 3.218 0.295 -4.234
566 HZ PHE 69 HZ PHE 69 1.885 1.597 -2.623
567 H ASP 70 H ASP 70 3.200 6.556 -8.395
568 HA ASP 70 HA ASP 70 3.512 8.191 -5.961
569 1HB ASP 70 2HB ASP 70 3.426 10.169 -7.411
570 2HB ASP 70 1HB ASP 70 4.738 9.099 -7.891
571 H PHE 71 H PHE 71 1.692 8.784 -4.934
572 HA PHE 71 HA PHE 71 -0.806 8.993 -6.421
573 1HB PHE 71 2HB PHE 71 -1.936 7.295 -5.379
574 2HB PHE 71 1HB PHE 71 -0.317 6.600 -5.382
575 HD1 PHE 71 1HD PHE 71 -3.120 7.362 -3.411
576 HD2 PHE 71 2HD PHE 71 1.131 7.151 -3.247
577 HE1 PHE 71 1HE PHE 71 -3.230 7.133 -0.965
578 HE2 PHE 71 2HE PHE 71 1.024 6.916 -0.800
579 HZ PHE 71 HZ PHE 71 -1.157 6.909 0.344
580 H THR 72 H THR 72 -2.569 9.908 -5.149
581 HA THR 72 HA THR 72 -1.854 11.233 -2.669
582 HB THR 72 HB THR 72 -2.119 13.423 -3.316
583 HG1 THR 72 1HG THR 72 -3.387 14.067 -5.071
584 1HG2 THR 72 1HG2 THR 72 -0.178 13.137 -4.475
585 2HG2 THR 72 2HG2 THR 72 -1.225 13.585 -5.822
586 3HG2 THR 72 3HG2 THR 72 -0.856 11.887 -5.519
587 H THR 73 H THR 73 -3.816 12.381 -1.746
588 HA THR 73 HA THR 73 -5.929 10.640 -1.433
589 HB THR 73 HB THR 73 -5.800 12.305 0.193
590 HG1 THR 73 1HG THR 73 -8.001 11.925 -0.690
591 1HG2 THR 73 1HG2 THR 73 -5.464 14.144 -2.124
592 2HG2 THR 73 2HG2 THR 73 -4.553 14.047 -0.618
593 3HG2 THR 73 3HG2 THR 73 -6.151 14.793 -0.635
594 H THR 74 H THR 74 -5.898 13.569 -3.469
595 HA THR 74 HA THR 74 -7.412 12.331 -5.535
596 HB THR 74 HB THR 74 -9.357 12.598 -4.247
597 HG1 THR 74 1HG THR 74 -9.197 13.796 -6.433
598 1HG2 THR 74 1HG2 THR 74 -8.667 13.899 -2.410
599 2HG2 THR 74 2HG2 THR 74 -9.909 14.864 -3.206
600 3HG2 THR 74 3HG2 THR 74 -8.205 15.257 -3.437
601 H SER 75 H SER 75 -5.395 13.207 -6.441
602 HA SER 75 HA SER 75 -5.860 15.569 -7.907
603 1HB SER 75 2HB SER 75 -4.877 16.093 -5.345
604 2HB SER 75 1HB SER 75 -3.463 16.208 -6.393
605 HG SER 75 HG SER 75 -5.557 17.906 -6.141
606 H THR 76 H THR 76 -3.738 13.071 -6.777
607 HA THR 76 HA THR 76 -1.998 11.949 -7.714
608 HB THR 76 HB THR 76 -2.555 12.809 -10.478
609 HG1 THR 76 1HG THR 76 -4.547 11.607 -8.836
610 1HG2 THR 76 1HG2 THR 76 -1.729 10.775 -10.867
611 2HG2 THR 76 2HG2 THR 76 -2.994 10.029 -9.889
612 3HG2 THR 76 3HG2 THR 76 -1.500 10.579 -9.129
613 H SER 77 H SER 77 -0.337 12.360 -9.835
614 HA SER 77 HA SER 77 0.657 15.103 -9.629
615 1HB SER 77 2HB SER 77 1.755 13.104 -8.071
616 2HB SER 77 1HB SER 77 2.823 13.141 -9.474
617 HG SER 77 HG SER 77 2.682 15.569 -9.039
618 H THR 78 H THR 78 2.214 15.659 -11.275
619 HA THR 78 HA THR 78 1.944 13.962 -13.662
620 HB THR 78 HB THR 78 2.820 16.676 -14.220
621 HG1 THR 78 1HG THR 78 0.335 17.179 -13.743
622 1HG2 THR 78 1HG2 THR 78 1.548 14.670 -15.552
623 2HG2 THR 78 2HG2 THR 78 1.590 16.352 -16.081
624 3HG2 THR 78 3HG2 THR 78 0.202 15.746 -15.177
625 HA PRO 79 HA PRO 79 6.525 15.217 -13.735
626 1HB PRO 79 2HB PRO 79 7.569 16.958 -12.007
627 2HB PRO 79 1HB PRO 79 6.600 17.511 -13.379
628 1HG PRO 79 2HG PRO 79 5.836 17.241 -10.505
629 2HG PRO 79 1HG PRO 79 5.401 18.505 -11.668
630 1HD PRO 79 2HD PRO 79 3.794 16.347 -10.953
631 2HD PRO 79 1HD PRO 79 3.594 17.338 -12.410
632 H GLY 80 H GLY 80 8.512 14.500 -12.694
633 1HA GLY 80 2HA GLY 80 9.034 13.848 -10.128
634 2HA GLY 80 1HA GLY 80 7.973 12.542 -10.631
635 H SER 81 H SER 81 9.886 11.224 -10.101
636 HA SER 81 HA SER 81 12.248 11.401 -11.672
637 1HB SER 81 2HB SER 81 12.781 9.180 -10.721
638 2HB SER 81 1HB SER 81 12.271 10.325 -9.480
639 HG SER 81 HG SER 81 11.300 7.995 -9.775
640 H ARG 82 H ARG 82 9.179 10.525 -12.528
641 HA ARG 82 HA ARG 82 9.522 8.234 -14.104
642 1HB ARG 82 2HB ARG 82 7.632 10.493 -14.755
643 2HB ARG 82 1HB ARG 82 7.443 8.785 -15.129
644 1HG ARG 82 2HG ARG 82 7.481 8.490 -12.547
645 2HG ARG 82 1HG ARG 82 7.071 10.206 -12.534
646 1HD ARG 82 2HD ARG 82 5.515 7.899 -13.647
647 2HD ARG 82 1HD ARG 82 5.000 9.130 -12.496
648 HE ARG 82 HE ARG 82 5.519 10.536 -14.764
649 1HH1 ARG 82 1HH1 ARG 82 3.529 7.771 -14.023
650 2HH1 ARG 82 2HH1 ARG 82 2.353 8.130 -15.243
651 1HH2 ARG 82 1HH2 ARG 82 3.971 11.016 -16.369
652 2HH2 ARG 82 2HH2 ARG 82 2.603 9.975 -16.575
653 H SER 83 H SER 83 11.172 8.119 -15.522
654 HA SER 83 HA SER 83 11.956 10.366 -17.140
655 1HB SER 83 2HB SER 83 13.618 8.814 -18.094
656 2HB SER 83 1HB SER 83 13.640 8.775 -16.332
657 HG SER 83 HG SER 83 13.523 6.689 -16.745
658 H HIS 84 H HIS 84 12.548 9.286 -19.582
659 HA HIS 84 HA HIS 84 9.896 9.104 -20.761
660 1HB HIS 84 2HB HIS 84 12.259 10.341 -21.541
661 2HB HIS 84 1HB HIS 84 12.124 8.964 -22.631
662 HD2 HIS 84 2HD HIS 84 11.492 10.588 -24.786
663 HE1 HIS 84 1HE HIS 84 7.794 11.886 -23.187
664 HE2 HIS 84 2HE HIS 84 9.196 11.685 -25.290
665 H HIS 85 H HIS 85 9.514 6.939 -19.906
666 HA HIS 85 HA HIS 85 11.086 4.738 -20.855
667 1HB HIS 85 2HB HIS 85 8.626 5.074 -19.220
668 2HB HIS 85 1HB HIS 85 8.846 3.525 -20.028
669 HD2 HIS 85 2HD HIS 85 11.520 2.385 -19.396
670 HE1 HIS 85 1HE HIS 85 11.354 4.137 -15.547
671 HE2 HIS 85 2HE HIS 85 12.377 2.289 -16.949
672 H HIS 86 H HIS 86 10.570 3.235 -22.434
673 HA HIS 86 HA HIS 86 8.159 3.414 -23.973
674 1HB HIS 86 2HB HIS 86 10.388 5.016 -24.774
675 2HB HIS 86 1HB HIS 86 10.165 3.736 -25.961
676 HD2 HIS 86 2HD HIS 86 9.323 7.095 -26.134
677 HE1 HIS 86 1HE HIS 86 5.568 5.298 -26.898
678 HE2 HIS 86 2HE HIS 86 6.873 7.473 -26.897
679 H HIS 87 H HIS 87 8.386 1.957 -26.000
680 HA HIS 87 HA HIS 87 9.803 -0.470 -25.148
681 1HB HIS 87 2HB HIS 87 7.538 -0.186 -27.134
682 2HB HIS 87 1HB HIS 87 8.233 -1.698 -26.558
683 HD2 HIS 87 2HD HIS 87 5.264 0.383 -25.881
684 HE1 HIS 87 1HE HIS 87 6.137 -1.541 -22.213
685 HE2 HIS 87 2HE HIS 87 4.351 -0.357 -23.568
686 H HIS 88 H HIS 88 10.381 2.061 -27.054
687 HA HIS 88 HA HIS 88 11.105 0.903 -29.538
688 1HB HIS 88 2HB HIS 88 11.665 3.497 -28.159
689 2HB HIS 88 1HB HIS 88 12.633 3.061 -29.563
690 HD2 HIS 88 2HD HIS 88 10.413 5.546 -29.552
691 HE1 HIS 88 1HE HIS 88 8.389 2.968 -32.232
692 HE2 HIS 88 2HE HIS 88 8.478 5.310 -31.265
693 H HIS 89 H HIS 89 13.506 1.220 -30.291
694 HA HIS 89 HA HIS 89 15.598 0.331 -30.274
695 1HB HIS 89 2HB HIS 89 15.377 2.014 -28.037
696 2HB HIS 89 1HB HIS 89 16.192 0.568 -27.453
697 HD2 HIS 89 2HD HIS 89 17.847 0.183 -30.414
698 HE1 HIS 89 1HE HIS 89 19.624 3.784 -29.074
699 HE2 HIS 89 2HE HIS 89 19.760 1.900 -30.764
Start of MODEL 29
1 1H MET 1 1HT MET 1 5.376 -10.917 -11.693
2 2H MET 1 2HT MET 1 4.780 -11.424 -13.193
3 3H MET 1 3HT MET 1 4.650 -9.801 -12.738
4 HA MET 1 HA MET 1 7.177 -9.814 -12.603
5 1HB MET 1 2HB MET 1 7.078 -12.385 -12.813
6 2HB MET 1 1HB MET 1 6.834 -12.102 -14.531
7 1HG MET 1 2HG MET 1 9.184 -12.566 -13.896
8 2HG MET 1 1HG MET 1 8.952 -11.033 -14.735
9 1HE MET 1 1HE MET 1 10.344 -11.971 -10.593
10 2HE MET 1 2HE MET 1 11.479 -12.036 -11.941
11 3HE MET 1 3HE MET 1 10.004 -13.002 -11.984
12 H ARG 2 H ARG 2 4.920 -10.711 -15.196
13 HA ARG 2 HA ARG 2 5.859 -8.360 -16.703
14 1HB ARG 2 2HB ARG 2 5.315 -11.150 -17.610
15 2HB ARG 2 1HB ARG 2 4.944 -9.831 -18.711
16 1HG ARG 2 2HG ARG 2 7.634 -10.199 -17.416
17 2HG ARG 2 1HG ARG 2 7.206 -10.862 -18.993
18 1HD ARG 2 2HD ARG 2 6.513 -8.424 -19.545
19 2HD ARG 2 1HD ARG 2 7.523 -8.006 -18.162
20 HE ARG 2 HE ARG 2 9.370 -9.132 -19.362
21 1HH1 ARG 2 1HH1 ARG 2 6.596 -8.011 -21.149
22 2HH1 ARG 2 2HH1 ARG 2 7.460 -7.855 -22.643
23 1HH2 ARG 2 1HH2 ARG 2 10.515 -8.928 -21.324
24 2HH2 ARG 2 2HH2 ARG 2 9.688 -8.376 -22.742
25 H GLY 3 H GLY 3 3.356 -9.628 -15.002
26 1HA GLY 3 2HA GLY 3 1.511 -7.652 -15.824
27 2HA GLY 3 1HA GLY 3 1.074 -9.192 -16.548
28 H SER 4 H SER 4 -0.819 -8.290 -15.037
29 HA SER 4 HA SER 4 -0.639 -9.894 -12.583
30 1HB SER 4 2HB SER 4 -2.152 -7.305 -12.536
31 2HB SER 4 1HB SER 4 -1.463 -8.218 -11.195
32 HG SER 4 HG SER 4 0.379 -7.320 -13.031
33 H ASN 5 H ASN 5 -1.830 -11.498 -13.707
34 HA ASN 5 HA ASN 5 -4.697 -10.904 -13.832
35 1HB ASN 5 2HB ASN 5 -4.174 -10.759 -16.118
36 2HB ASN 5 1HB ASN 5 -3.018 -12.084 -16.032
37 1HD2 ASN 5 1HD2 ASN 5 -6.368 -11.793 -14.921
38 2HD2 ASN 5 2HD2 ASN 5 -6.966 -13.135 -15.830
39 H ALA 6 H ALA 6 -2.173 -13.393 -13.846
40 HA ALA 6 HA ALA 6 -3.788 -15.617 -13.342
41 1HB ALA 6 1HB ALA 6 -1.082 -15.490 -12.116
42 2HB ALA 6 2HB ALA 6 -1.214 -15.365 -13.871
43 3HB ALA 6 3HB ALA 6 -1.848 -16.785 -13.037
44 HA PRO 7 HA PRO 7 -5.291 -14.949 -9.220
45 1HB PRO 7 2HB PRO 7 -5.192 -17.899 -8.973
46 2HB PRO 7 1HB PRO 7 -6.563 -16.801 -8.788
47 1HG PRO 7 2HG PRO 7 -6.331 -18.365 -10.939
48 2HG PRO 7 1HG PRO 7 -6.972 -16.716 -11.066
49 1HD PRO 7 2HD PRO 7 -4.256 -17.757 -11.768
50 2HD PRO 7 1HD PRO 7 -5.260 -16.564 -12.616
51 H GLN 8 H GLN 8 -4.850 -15.926 -6.942
52 HA GLN 8 HA GLN 8 -1.933 -16.219 -6.655
53 1HB GLN 8 2HB GLN 8 -3.924 -14.586 -5.244
54 2HB GLN 8 1HB GLN 8 -2.820 -15.447 -4.179
55 1HG GLN 8 2HG GLN 8 -0.929 -14.477 -5.485
56 2HG GLN 8 1HG GLN 8 -2.107 -13.495 -6.352
57 1HE2 GLN 8 1HE2 GLN 8 -1.809 -11.494 -5.656
58 2HE2 GLN 8 2HE2 GLN 8 -1.764 -10.997 -4.002
59 HA PRO 9 HA PRO 9 -3.501 -20.325 -5.319
60 1HB PRO 9 2HB PRO 9 -0.622 -20.945 -5.619
61 2HB PRO 9 1HB PRO 9 -2.026 -21.772 -6.299
62 1HG PRO 9 2HG PRO 9 -0.423 -20.284 -7.832
63 2HG PRO 9 1HG PRO 9 -2.176 -20.324 -8.098
64 1HD PRO 9 2HD PRO 9 -0.507 -18.229 -6.757
65 2HD PRO 9 1HD PRO 9 -1.884 -18.036 -7.862
66 H SER 10 H SER 10 -0.988 -18.247 -4.158
67 HA SER 10 HA SER 10 -1.397 -19.238 -1.451
68 1HB SER 10 2HB SER 10 0.919 -19.586 -0.972
69 2HB SER 10 1HB SER 10 0.577 -20.475 -2.456
70 HG SER 10 HG SER 10 1.418 -18.622 -3.594
71 H HIS 11 H HIS 11 -1.274 -17.653 0.064
72 HA HIS 11 HA HIS 11 -1.039 -14.939 -0.906
73 1HB HIS 11 2HB HIS 11 -1.440 -15.619 1.983
74 2HB HIS 11 1HB HIS 11 -2.094 -14.274 1.054
75 HD2 HIS 11 2HD HIS 11 -3.896 -15.529 -1.122
76 HE1 HIS 11 1HE HIS 11 -5.381 -18.110 1.884
77 HE2 HIS 11 2HE HIS 11 -5.867 -17.032 -0.359
78 H ILE 12 H ILE 12 0.403 -13.387 -0.171
79 HA ILE 12 HA ILE 12 3.048 -14.268 0.358
80 HB ILE 12 HB ILE 12 1.940 -11.958 -0.611
81 1HG1 ILE 12 2HG1 ILE 12 4.181 -12.792 -1.132
82 2HG1 ILE 12 1HG1 ILE 12 4.207 -11.074 -0.742
83 1HG2 ILE 12 1HG2 ILE 12 1.332 -10.991 1.447
84 2HG2 ILE 12 2HG2 ILE 12 2.788 -10.149 0.918
85 3HG2 ILE 12 3HG2 ILE 12 2.890 -11.380 2.174
86 1HD1 ILE 12 1HD1 ILE 12 5.982 -11.704 0.473
87 2HD1 ILE 12 2HD1 ILE 12 5.401 -13.355 0.678
88 3HD1 ILE 12 3HD1 ILE 12 4.735 -12.056 1.669
89 H SER 13 H SER 13 4.271 -14.163 2.256
90 HA SER 13 HA SER 13 3.081 -14.731 4.676
91 1HB SER 13 2HB SER 13 5.759 -14.018 3.767
92 2HB SER 13 1HB SER 13 5.433 -13.414 5.392
93 HG SER 13 HG SER 13 4.557 -15.964 5.061
94 H LYS 14 H LYS 14 4.478 -11.605 3.692
95 HA LYS 14 HA LYS 14 2.315 -10.163 4.925
96 1HB LYS 14 2HB LYS 14 4.587 -8.896 6.028
97 2HB LYS 14 1HB LYS 14 3.257 -9.664 6.877
98 1HG LYS 14 2HG LYS 14 4.488 -11.828 6.690
99 2HG LYS 14 1HG LYS 14 5.856 -10.924 6.037
100 1HD LYS 14 2HD LYS 14 4.621 -10.105 8.636
101 2HD LYS 14 1HD LYS 14 5.754 -11.457 8.584
102 1HE LYS 14 2HE LYS 14 7.458 -10.041 7.621
103 2HE LYS 14 1HE LYS 14 6.327 -8.693 7.524
104 1HZ LYS 14 1HZ LYS 14 6.457 -9.705 10.169
105 2HZ LYS 14 2HZ LYS 14 6.781 -8.142 9.608
106 3HZ LYS 14 3HZ LYS 14 8.007 -9.307 9.621
107 H TYR 15 H TYR 15 2.124 -8.083 4.182
108 HA TYR 15 HA TYR 15 3.986 -7.307 2.038
109 1HB TYR 15 2HB TYR 15 1.039 -6.942 2.432
110 2HB TYR 15 1HB TYR 15 1.922 -5.747 1.491
111 HD1 TYR 15 1HD TYR 15 -0.241 -8.165 0.953
112 HD2 TYR 15 2HD TYR 15 3.819 -7.356 -0.033
113 HE1 TYR 15 1HE TYR 15 -0.446 -9.590 -1.042
114 HE2 TYR 15 2HE TYR 15 3.623 -8.779 -2.029
115 HH TYR 15 HH TYR 15 2.089 -10.796 -2.711
116 H ILE 16 H ILE 16 5.002 -5.323 2.150
117 HA ILE 16 HA ILE 16 4.374 -3.700 4.518
118 HB ILE 16 HB ILE 16 6.906 -4.645 3.426
119 1HG1 ILE 16 2HG1 ILE 16 5.898 -4.894 5.767
120 2HG1 ILE 16 1HG1 ILE 16 7.603 -4.478 5.669
121 1HG2 ILE 16 1HG2 ILE 16 7.322 -2.524 2.537
122 2HG2 ILE 16 2HG2 ILE 16 8.116 -2.502 4.113
123 3HG2 ILE 16 3HG2 ILE 16 6.558 -1.702 3.897
124 1HD1 ILE 16 1HD1 ILE 16 7.126 -2.183 6.196
125 2HD1 ILE 16 2HD1 ILE 16 6.364 -3.222 7.402
126 3HD1 ILE 16 3HD1 ILE 16 5.391 -2.489 6.126
127 H LEU 17 H LEU 17 3.750 -1.686 4.260
128 HA LEU 17 HA LEU 17 3.915 -0.504 1.571
129 1HB LEU 17 2HB LEU 17 1.679 -0.973 3.046
130 2HB LEU 17 1HB LEU 17 2.060 0.664 3.542
131 HG LEU 17 HG LEU 17 2.164 0.316 0.647
132 1HD1 LEU 17 1HD1 LEU 17 -0.055 -0.154 0.185
133 2HD1 LEU 17 2HD1 LEU 17 -0.577 0.177 1.838
134 3HD1 LEU 17 3HD1 LEU 17 0.322 -1.297 1.475
135 1HD2 LEU 17 1HD2 LEU 17 1.340 2.264 2.659
136 2HD2 LEU 17 2HD2 LEU 17 0.284 2.213 1.248
137 3HD2 LEU 17 3HD2 LEU 17 2.010 2.511 1.047
138 H ARG 18 H ARG 18 5.441 0.991 1.414
139 HA ARG 18 HA ARG 18 5.910 2.741 3.730
140 1HB ARG 18 2HB ARG 18 8.257 2.708 2.167
141 2HB ARG 18 1HB ARG 18 8.031 2.064 3.787
142 1HG ARG 18 2HG ARG 18 7.062 0.002 2.506
143 2HG ARG 18 1HG ARG 18 8.013 0.653 1.168
144 1HD ARG 18 2HD ARG 18 9.236 -1.030 2.496
145 2HD ARG 18 1HD ARG 18 10.025 0.549 2.494
146 HE ARG 18 HE ARG 18 8.339 0.352 4.737
147 1HH1 ARG 18 1HH1 ARG 18 11.321 -0.955 3.497
148 2HH1 ARG 18 2HH1 ARG 18 12.000 -1.236 5.066
149 1HH2 ARG 18 1HH2 ARG 18 9.220 -0.015 6.802
150 2HH2 ARG 18 2HH2 ARG 18 10.805 -0.700 6.946
151 H TRP 19 H TRP 19 5.735 4.861 3.371
152 HA TRP 19 HA TRP 19 6.189 5.935 0.709
153 1HB TRP 19 2HB TRP 19 4.038 6.855 0.372
154 2HB TRP 19 1HB TRP 19 3.760 5.185 0.854
155 HD1 TRP 19 HD TRP 19 3.014 8.729 1.851
156 HE1 TRP 19 1HE TRP 19 1.532 8.739 3.959
157 HE3 TRP 19 3HE TRP 19 3.350 3.785 3.105
158 HZ2 TRP 19 2HZ TRP 19 0.624 6.893 5.895
159 HZ3 TRP 19 3HZ TRP 19 2.146 2.987 5.098
160 HH2 TRP 19 HH TRP 19 0.813 4.511 6.463
161 H ARG 20 H ARG 20 6.144 8.284 0.645
162 HA ARG 20 HA ARG 20 6.119 9.775 3.102
163 1HB ARG 20 2HB ARG 20 8.470 10.532 2.924
164 2HB ARG 20 1HB ARG 20 8.343 8.814 3.272
165 1HG ARG 20 2HG ARG 20 9.258 8.206 1.303
166 2HG ARG 20 1HG ARG 20 8.524 9.548 0.423
167 1HD ARG 20 2HD ARG 20 10.156 11.071 1.537
168 2HD ARG 20 1HD ARG 20 10.944 9.647 2.215
169 HE ARG 20 HE ARG 20 11.314 8.959 -0.162
170 1HH1 ARG 20 1HH1 ARG 20 10.897 12.312 0.698
171 2HH1 ARG 20 2HH1 ARG 20 11.783 12.904 -0.668
172 1HH2 ARG 20 1HH2 ARG 20 12.488 9.733 -1.958
173 2HH2 ARG 20 2HH2 ARG 20 12.685 11.441 -2.176
174 HA PRO 21 HA PRO 21 5.083 13.143 0.450
175 1HB PRO 21 2HB PRO 21 6.765 15.163 1.342
176 2HB PRO 21 1HB PRO 21 5.214 14.736 2.068
177 1HG PRO 21 2HG PRO 21 7.973 13.977 2.909
178 2HG PRO 21 1HG PRO 21 6.564 14.380 3.905
179 1HD PRO 21 2HD PRO 21 7.373 11.840 3.556
180 2HD PRO 21 1HD PRO 21 5.652 12.262 3.694
181 H LYS 22 H LYS 22 5.679 12.821 -1.600
182 HA LYS 22 HA LYS 22 8.297 12.427 -2.523
183 1HB LYS 22 2HB LYS 22 6.044 11.851 -3.636
184 2HB LYS 22 1HB LYS 22 6.083 13.499 -4.248
185 1HG LYS 22 2HG LYS 22 8.568 12.604 -4.915
186 2HG LYS 22 1HG LYS 22 7.591 11.143 -5.087
187 1HD LYS 22 2HD LYS 22 6.337 13.532 -6.208
188 2HD LYS 22 1HD LYS 22 7.867 13.107 -6.979
189 1HE LYS 22 2HE LYS 22 7.076 10.916 -7.505
190 2HE LYS 22 1HE LYS 22 5.629 11.145 -6.524
191 1HZ LYS 22 1HZ LYS 22 5.762 11.543 -9.182
192 2HZ LYS 22 2HZ LYS 22 5.975 13.117 -8.601
193 3HZ LYS 22 3HZ LYS 22 4.600 12.234 -8.166
194 H ASN 23 H ASN 23 6.233 15.330 -2.650
195 HA ASN 23 HA ASN 23 8.502 16.884 -3.633
196 1HB ASN 23 2HB ASN 23 5.649 17.038 -3.925
197 2HB ASN 23 1HB ASN 23 6.258 18.557 -3.277
198 1HD2 ASN 23 1HD2 ASN 23 5.240 17.519 -5.979
199 2HD2 ASN 23 2HD2 ASN 23 6.394 18.146 -7.102
200 H SER 24 H SER 24 6.335 16.720 -0.843
201 HA SER 24 HA SER 24 7.587 18.995 0.419
202 1HB SER 24 2HB SER 24 5.108 17.902 0.628
203 2HB SER 24 1HB SER 24 5.893 17.276 2.072
204 HG SER 24 HG SER 24 6.254 19.324 2.777
205 H VAL 25 H VAL 25 7.976 18.576 2.922
206 HA VAL 25 HA VAL 25 10.119 16.581 3.034
207 HB VAL 25 HB VAL 25 10.803 18.842 3.577
208 1HG1 VAL 25 1HG1 VAL 25 9.886 19.957 5.618
209 2HG1 VAL 25 2HG1 VAL 25 8.620 18.730 5.649
210 3HG1 VAL 25 3HG1 VAL 25 8.748 19.831 4.277
211 1HG2 VAL 25 1HG2 VAL 25 10.756 17.622 6.280
212 2HG2 VAL 25 2HG2 VAL 25 12.101 18.303 5.366
213 3HG2 VAL 25 3HG2 VAL 25 11.494 16.694 4.974
214 H GLY 26 H GLY 26 10.226 15.024 4.631
215 1HA GLY 26 2HA GLY 26 8.648 14.859 6.925
216 2HA GLY 26 1HA GLY 26 7.782 14.030 5.639
217 H ARG 27 H ARG 27 8.003 12.055 6.801
218 HA ARG 27 HA ARG 27 10.638 10.828 6.400
219 1HB ARG 27 2HB ARG 27 8.973 10.351 8.871
220 2HB ARG 27 1HB ARG 27 10.594 9.755 8.544
221 1HG ARG 27 2HG ARG 27 11.569 11.833 8.894
222 2HG ARG 27 1HG ARG 27 10.044 12.692 8.661
223 1HD ARG 27 2HD ARG 27 9.280 12.181 10.777
224 2HD ARG 27 1HD ARG 27 10.307 10.755 10.917
225 HE ARG 27 HE ARG 27 11.420 13.482 10.999
226 1HH1 ARG 27 1HH1 ARG 27 11.083 10.278 12.336
227 2HH1 ARG 27 2HH1 ARG 27 12.244 10.543 13.593
228 1HH2 ARG 27 1HH2 ARG 27 12.946 13.836 12.650
229 2HH2 ARG 27 2HH2 ARG 27 13.301 12.565 13.772
230 H TRP 28 H TRP 28 10.556 8.442 6.441
231 HA TRP 28 HA TRP 28 8.517 7.482 4.732
232 1HB TRP 28 2HB TRP 28 10.783 6.190 6.219
233 2HB TRP 28 1HB TRP 28 9.602 5.203 5.365
234 HD1 TRP 28 HD TRP 28 12.771 7.017 4.832
235 HE1 TRP 28 1HE TRP 28 13.334 7.138 2.324
236 HE3 TRP 28 3HE TRP 28 8.266 5.544 2.913
237 HZ2 TRP 28 2HZ TRP 28 12.042 6.670 -0.142
238 HZ3 TRP 28 3HZ TRP 28 8.013 5.407 0.469
239 HH2 TRP 28 HH TRP 28 9.863 5.959 -1.026
240 H LYS 29 H LYS 29 7.056 5.707 5.138
241 HA LYS 29 HA LYS 29 6.251 5.397 7.947
242 1HB LYS 29 2HB LYS 29 4.275 5.702 5.682
243 2HB LYS 29 1HB LYS 29 3.931 5.655 7.405
244 1HG LYS 29 2HG LYS 29 5.743 7.793 6.889
245 2HG LYS 29 1HG LYS 29 4.379 7.907 5.774
246 1HD LYS 29 2HD LYS 29 2.813 7.913 7.579
247 2HD LYS 29 1HD LYS 29 4.078 7.533 8.748
248 1HE LYS 29 2HE LYS 29 5.153 9.743 7.919
249 2HE LYS 29 1HE LYS 29 3.537 10.101 7.310
250 1HZ LYS 29 1HZ LYS 29 3.535 11.015 9.419
251 2HZ LYS 29 2HZ LYS 29 4.422 9.747 10.100
252 3HZ LYS 29 3HZ LYS 29 2.801 9.513 9.681
253 H GLU 30 H GLU 30 5.731 3.319 8.508
254 HA GLU 30 HA GLU 30 5.722 1.344 6.315
255 1HB GLU 30 2HB GLU 30 6.552 0.506 9.042
256 2HB GLU 30 1HB GLU 30 7.119 -0.047 7.473
257 1HG GLU 30 2HG GLU 30 8.957 1.122 7.906
258 2HG GLU 30 1HG GLU 30 7.990 2.549 7.536
259 H ALA 31 H ALA 31 4.017 0.088 6.141
260 HA ALA 31 HA ALA 31 2.377 -0.542 8.481
261 1HB ALA 31 1HB ALA 31 1.595 1.319 6.479
262 2HB ALA 31 2HB ALA 31 0.662 0.726 7.852
263 3HB ALA 31 3HB ALA 31 0.594 -0.124 6.308
264 H THR 32 H THR 32 2.457 -2.712 8.539
265 HA THR 32 HA THR 32 2.700 -4.213 6.057
266 HB THR 32 HB THR 32 2.526 -5.671 8.632
267 HG1 THR 32 1HG THR 32 5.049 -4.710 8.223
268 1HG2 THR 32 1HG2 THR 32 4.052 -7.119 7.623
269 2HG2 THR 32 2HG2 THR 32 4.674 -5.869 6.545
270 3HG2 THR 32 3HG2 THR 32 3.079 -6.566 6.260
271 H ILE 33 H ILE 33 1.194 -5.487 5.185
272 HA ILE 33 HA ILE 33 -1.361 -5.813 6.612
273 HB ILE 33 HB ILE 33 -1.137 -5.619 3.615
274 1HG1 ILE 33 2HG1 ILE 33 -2.296 -3.274 4.843
275 2HG1 ILE 33 1HG1 ILE 33 -0.650 -3.519 5.420
276 1HG2 ILE 33 1HG2 ILE 33 -3.150 -6.660 4.378
277 2HG2 ILE 33 2HG2 ILE 33 -3.548 -5.030 3.836
278 3HG2 ILE 33 3HG2 ILE 33 -3.424 -5.380 5.560
279 1HD1 ILE 33 1HD1 ILE 33 0.108 -3.633 3.071
280 2HD1 ILE 33 2HD1 ILE 33 -0.616 -2.084 3.503
281 3HD1 ILE 33 3HD1 ILE 33 -1.537 -3.255 2.558
282 HA PRO 34 HA PRO 34 0.009 -10.111 6.173
283 1HB PRO 34 2HB PRO 34 -2.728 -10.501 7.275
284 2HB PRO 34 1HB PRO 34 -1.193 -11.199 7.797
285 1HG PRO 34 2HG PRO 34 -2.327 -9.247 9.197
286 2HG PRO 34 1HG PRO 34 -0.570 -9.292 8.967
287 1HD PRO 34 2HD PRO 34 -2.616 -7.575 7.628
288 2HD PRO 34 1HD PRO 34 -0.967 -7.170 8.148
289 H GLY 35 H GLY 35 -0.098 -10.035 3.861
290 1HA GLY 35 2HA GLY 35 -0.950 -10.534 1.783
291 2HA GLY 35 1HA GLY 35 -1.725 -11.856 2.638
292 H HIS 36 H HIS 36 -2.467 -8.492 3.264
293 HA HIS 36 HA HIS 36 -4.417 -7.326 3.132
294 1HB HIS 36 2HB HIS 36 -3.756 -8.237 0.529
295 2HB HIS 36 1HB HIS 36 -5.501 -8.386 0.699
296 HD2 HIS 36 2HD HIS 36 -5.314 -5.512 2.721
297 HE1 HIS 36 1HE HIS 36 -4.701 -3.896 -1.142
298 HE2 HIS 36 2HE HIS 36 -5.128 -3.350 1.298
299 H LEU 37 H LEU 37 -5.131 -8.757 4.945
300 HA LEU 37 HA LEU 37 -6.879 -10.941 4.451
301 1HB LEU 37 2HB LEU 37 -7.513 -10.644 6.849
302 2HB LEU 37 1HB LEU 37 -5.792 -10.829 6.566
303 HG LEU 37 HG LEU 37 -6.646 -8.036 6.606
304 1HD1 LEU 37 1HD1 LEU 37 -7.991 -8.116 8.374
305 2HD1 LEU 37 2HD1 LEU 37 -6.575 -8.572 9.320
306 3HD1 LEU 37 3HD1 LEU 37 -7.634 -9.818 8.661
307 1HD2 LEU 37 1HD2 LEU 37 -4.426 -9.739 7.510
308 2HD2 LEU 37 2HD2 LEU 37 -4.769 -8.339 8.527
309 3HD2 LEU 37 3HD2 LEU 37 -4.410 -8.117 6.816
310 H ASN 38 H ASN 38 -7.327 -7.491 4.778
311 HA ASN 38 HA ASN 38 -10.083 -7.786 3.876
312 1HB ASN 38 2HB ASN 38 -11.008 -6.378 5.600
313 2HB ASN 38 1HB ASN 38 -10.147 -7.704 6.375
314 1HD2 ASN 38 1HD2 ASN 38 -10.419 -4.336 6.012
315 2HD2 ASN 38 2HD2 ASN 38 -9.102 -3.881 7.032
316 H SER 39 H SER 39 -10.862 -5.131 4.130
317 HA SER 39 HA SER 39 -9.391 -3.956 1.960
318 1HB SER 39 2HB SER 39 -11.055 -2.078 2.230
319 2HB SER 39 1HB SER 39 -11.775 -3.664 1.949
320 HG SER 39 HG SER 39 -11.375 -3.035 4.600
321 H TYR 40 H TYR 40 -7.452 -3.106 2.394
322 HA TYR 40 HA TYR 40 -7.255 -1.238 4.665
323 1HB TYR 40 2HB TYR 40 -5.916 -3.509 4.696
324 2HB TYR 40 1HB TYR 40 -4.830 -2.645 3.612
325 HD1 TYR 40 1HD TYR 40 -4.568 -0.015 4.608
326 HD2 TYR 40 2HD TYR 40 -5.066 -3.606 6.835
327 HE1 TYR 40 1HE TYR 40 -3.477 1.042 6.540
328 HE2 TYR 40 2HE TYR 40 -3.975 -2.559 8.775
329 HH TYR 40 HH TYR 40 -2.907 0.828 8.679
330 H THR 41 H THR 41 -7.451 0.703 3.701
331 HA THR 41 HA THR 41 -5.534 1.332 1.556
332 HB THR 41 HB THR 41 -7.634 1.275 0.441
333 HG1 THR 41 1HG THR 41 -7.948 3.630 0.063
334 1HG2 THR 41 1HG2 THR 41 -9.443 1.359 1.775
335 2HG2 THR 41 2HG2 THR 41 -9.344 3.102 1.533
336 3HG2 THR 41 3HG2 THR 41 -8.632 2.370 2.971
337 H ILE 42 H ILE 42 -4.532 3.319 1.667
338 HA ILE 42 HA ILE 42 -4.529 4.570 4.265
339 HB ILE 42 HB ILE 42 -2.937 5.111 1.766
340 1HG1 ILE 42 2HG1 ILE 42 -2.415 3.034 3.009
341 2HG1 ILE 42 1HG1 ILE 42 -1.088 4.186 3.044
342 1HG2 ILE 42 1HG2 ILE 42 -1.627 6.702 3.020
343 2HG2 ILE 42 2HG2 ILE 42 -2.606 6.423 4.461
344 3HG2 ILE 42 3HG2 ILE 42 -3.320 7.193 3.044
345 1HD1 ILE 42 1HD1 ILE 42 -2.635 4.729 5.311
346 2HD1 ILE 42 2HD1 ILE 42 -1.039 3.978 5.240
347 3HD1 ILE 42 3HD1 ILE 42 -2.489 2.973 5.215
348 H LYS 43 H LYS 43 -5.905 6.134 4.804
349 HA LYS 43 HA LYS 43 -6.591 8.164 2.803
350 1HB LYS 43 2HB LYS 43 -8.391 6.212 3.848
351 2HB LYS 43 1HB LYS 43 -8.863 7.788 4.469
352 1HG LYS 43 2HG LYS 43 -8.324 8.194 1.760
353 2HG LYS 43 1HG LYS 43 -9.218 6.675 1.845
354 1HD LYS 43 2HD LYS 43 -10.151 9.079 3.369
355 2HD LYS 43 1HD LYS 43 -10.526 8.904 1.653
356 1HE LYS 43 2HE LYS 43 -11.255 7.009 3.881
357 2HE LYS 43 1HE LYS 43 -12.353 8.030 2.953
358 1HZ LYS 43 1HZ LYS 43 -11.469 5.434 2.364
359 2HZ LYS 43 2HZ LYS 43 -10.902 6.468 1.150
360 3HZ LYS 43 3HZ LYS 43 -12.557 6.395 1.495
361 H GLY 44 H GLY 44 -6.579 10.208 3.552
362 1HA GLY 44 2HA GLY 44 -7.209 11.621 5.553
363 2HA GLY 44 1HA GLY 44 -6.142 10.552 6.451
364 H LEU 45 H LEU 45 -5.164 11.267 3.256
365 HA LEU 45 HA LEU 45 -2.821 12.620 4.199
366 1HB LEU 45 2HB LEU 45 -3.746 12.251 1.342
367 2HB LEU 45 1HB LEU 45 -2.122 12.642 1.884
368 HG LEU 45 HG LEU 45 -3.423 10.086 2.756
369 1HD1 LEU 45 1HD1 LEU 45 -2.807 8.943 0.845
370 2HD1 LEU 45 2HD1 LEU 45 -1.701 10.211 0.318
371 3HD1 LEU 45 3HD1 LEU 45 -3.444 10.453 0.193
372 1HD2 LEU 45 1HD2 LEU 45 -1.455 9.741 3.714
373 2HD2 LEU 45 2HD2 LEU 45 -0.943 11.349 3.201
374 3HD2 LEU 45 3HD2 LEU 45 -0.633 9.953 2.169
375 H LYS 46 H LYS 46 -2.812 14.318 1.658
376 HA LYS 46 HA LYS 46 -4.769 16.348 2.315
377 1HB LYS 46 2HB LYS 46 -2.956 16.984 3.758
378 2HB LYS 46 1HB LYS 46 -1.795 16.819 2.447
379 1HG LYS 46 2HG LYS 46 -2.072 19.085 2.497
380 2HG LYS 46 1HG LYS 46 -3.287 18.645 1.305
381 1HD LYS 46 2HD LYS 46 -4.731 19.766 2.561
382 2HD LYS 46 1HD LYS 46 -4.598 18.453 3.729
383 1HE LYS 46 2HE LYS 46 -2.631 19.689 4.710
384 2HE LYS 46 1HE LYS 46 -3.076 21.048 3.679
385 1HZ LYS 46 1HZ LYS 46 -4.434 19.982 6.040
386 2HZ LYS 46 2HZ LYS 46 -5.398 20.632 4.812
387 3HZ LYS 46 3HZ LYS 46 -4.216 21.588 5.552
388 HA PRO 47 HA PRO 47 -4.664 16.407 -2.151
389 1HB PRO 47 2HB PRO 47 -6.468 18.426 -2.476
390 2HB PRO 47 1HB PRO 47 -6.928 16.759 -2.111
391 1HG PRO 47 2HG PRO 47 -6.687 19.103 -0.269
392 2HG PRO 47 1HG PRO 47 -7.936 17.846 -0.326
393 1HD PRO 47 2HD PRO 47 -5.930 17.807 1.484
394 2HD PRO 47 1HD PRO 47 -6.637 16.322 0.816
395 H GLY 48 H GLY 48 -2.529 17.162 -2.317
396 1HA GLY 48 2HA GLY 48 -1.987 19.422 -3.683
397 2HA GLY 48 1HA GLY 48 -1.939 19.979 -2.013
398 H VAL 49 H VAL 49 -1.015 17.245 -1.202
399 HA VAL 49 HA VAL 49 1.801 17.500 -2.038
400 HB VAL 49 HB VAL 49 1.598 16.044 0.404
401 1HG1 VAL 49 1HG1 VAL 49 3.608 17.076 0.034
402 2HG1 VAL 49 2HG1 VAL 49 2.869 18.197 1.178
403 3HG1 VAL 49 3HG1 VAL 49 2.863 18.566 -0.546
404 1HG2 VAL 49 1HG2 VAL 49 -0.132 18.450 0.255
405 2HG2 VAL 49 2HG2 VAL 49 0.842 18.230 1.708
406 3HG2 VAL 49 3HG2 VAL 49 -0.308 16.984 1.220
407 H VAL 50 H VAL 50 2.320 15.860 -3.358
408 HA VAL 50 HA VAL 50 0.799 13.434 -3.417
409 HB VAL 50 HB VAL 50 3.261 14.347 -4.887
410 1HG1 VAL 50 1HG1 VAL 50 3.783 12.138 -4.968
411 2HG1 VAL 50 2HG1 VAL 50 2.598 12.165 -6.275
412 3HG1 VAL 50 3HG1 VAL 50 2.125 11.621 -4.665
413 1HG2 VAL 50 1HG2 VAL 50 1.504 15.372 -5.920
414 2HG2 VAL 50 2HG2 VAL 50 0.358 14.109 -5.470
415 3HG2 VAL 50 3HG2 VAL 50 1.494 13.839 -6.792
416 H TYR 51 H TYR 51 1.175 11.556 -2.435
417 HA TYR 51 HA TYR 51 3.643 11.312 -0.858
418 1HB TYR 51 2HB TYR 51 0.871 10.200 -0.513
419 2HB TYR 51 1HB TYR 51 2.247 9.440 0.284
420 HD1 TYR 51 1HD TYR 51 3.283 10.451 2.185
421 HD2 TYR 51 2HD TYR 51 0.231 12.523 0.066
422 HE1 TYR 51 1HE TYR 51 3.130 12.084 4.016
423 HE2 TYR 51 2HE TYR 51 0.071 14.166 1.890
424 HH TYR 51 HH TYR 51 0.834 14.795 3.873
425 H GLU 52 H GLU 52 5.133 10.233 -1.970
426 HA GLU 52 HA GLU 52 4.412 8.132 -3.830
427 1HB GLU 52 2HB GLU 52 6.160 9.161 -4.823
428 2HB GLU 52 1HB GLU 52 6.744 9.831 -3.308
429 1HG GLU 52 2HG GLU 52 8.477 8.464 -3.954
430 2HG GLU 52 1HG GLU 52 7.583 7.434 -2.839
431 H GLY 53 H GLY 53 4.517 6.001 -3.437
432 1HA GLY 53 2HA GLY 53 6.167 5.013 -1.245
433 2HA GLY 53 1HA GLY 53 4.437 4.752 -1.104
434 H GLN 54 H GLN 54 6.337 2.699 -1.155
435 HA GLN 54 HA GLN 54 5.531 1.312 -3.614
436 1HB GLN 54 2HB GLN 54 7.917 0.127 -3.099
437 2HB GLN 54 1HB GLN 54 7.697 1.439 -4.250
438 1HG GLN 54 2HG GLN 54 8.432 3.055 -2.655
439 2HG GLN 54 1HG GLN 54 8.449 1.850 -1.368
440 1HE2 GLN 54 1HE2 GLN 54 10.316 3.497 -3.535
441 2HE2 GLN 54 2HE2 GLN 54 11.697 2.459 -3.566
442 H LEU 55 H LEU 55 5.123 -0.901 -3.380
443 HA LEU 55 HA LEU 55 4.760 -1.749 -0.594
444 1HB LEU 55 2HB LEU 55 2.933 -1.717 -2.517
445 2HB LEU 55 1HB LEU 55 3.629 -3.286 -2.873
446 HG LEU 55 HG LEU 55 3.093 -3.028 -0.047
447 1HD1 LEU 55 1HD1 LEU 55 0.763 -2.774 -0.030
448 2HD1 LEU 55 2HD1 LEU 55 0.655 -2.877 -1.788
449 3HD1 LEU 55 3HD1 LEU 55 1.373 -1.455 -1.028
450 1HD2 LEU 55 1HD2 LEU 55 3.330 -5.188 -0.781
451 2HD2 LEU 55 2HD2 LEU 55 2.455 -4.888 -2.284
452 3HD2 LEU 55 3HD2 LEU 55 1.573 -5.033 -0.764
453 H ILE 56 H ILE 56 6.500 -2.836 0.122
454 HA ILE 56 HA ILE 56 7.928 -4.645 -1.672
455 HB ILE 56 HB ILE 56 8.532 -3.763 1.160
456 1HG1 ILE 56 2HG1 ILE 56 10.568 -2.769 0.043
457 2HG1 ILE 56 1HG1 ILE 56 9.840 -3.151 -1.512
458 1HG2 ILE 56 1HG2 ILE 56 10.443 -5.110 1.178
459 2HG2 ILE 56 2HG2 ILE 56 10.364 -5.405 -0.561
460 3HG2 ILE 56 3HG2 ILE 56 9.185 -6.155 0.515
461 1HD1 ILE 56 1HD1 ILE 56 8.090 -1.637 0.269
462 2HD1 ILE 56 2HD1 ILE 56 8.492 -1.375 -1.427
463 3HD1 ILE 56 3HD1 ILE 56 9.579 -0.796 -0.165
464 H SER 57 H SER 57 7.589 -6.789 -1.672
465 HA SER 57 HA SER 57 5.767 -7.896 0.304
466 1HB SER 57 2HB SER 57 5.175 -9.423 -1.247
467 2HB SER 57 1HB SER 57 5.969 -8.333 -2.382
468 HG SER 57 HG SER 57 6.737 -10.817 -1.492
469 H ILE 58 H ILE 58 6.296 -9.311 1.804
470 HA ILE 58 HA ILE 58 9.139 -10.054 2.002
471 HB ILE 58 HB ILE 58 7.223 -9.743 4.311
472 1HG1 ILE 58 2HG1 ILE 58 9.433 -7.853 3.489
473 2HG1 ILE 58 1HG1 ILE 58 7.743 -7.608 3.056
474 1HG2 ILE 58 1HG2 ILE 58 10.222 -9.823 4.409
475 2HG2 ILE 58 2HG2 ILE 58 9.247 -11.290 4.482
476 3HG2 ILE 58 3HG2 ILE 58 9.068 -10.049 5.723
477 1HD1 ILE 58 1HD1 ILE 58 7.791 -8.057 5.825
478 2HD1 ILE 58 2HD1 ILE 58 7.461 -6.548 4.973
479 3HD1 ILE 58 3HD1 ILE 58 9.108 -6.939 5.471
480 H GLN 59 H GLN 59 9.411 -12.085 1.444
481 HA GLN 59 HA GLN 59 7.436 -14.107 2.231
482 1HB GLN 59 2HB GLN 59 9.616 -14.063 0.153
483 2HB GLN 59 1HB GLN 59 8.906 -15.576 0.694
484 1HG GLN 59 2HG GLN 59 7.078 -13.419 -0.204
485 2HG GLN 59 1HG GLN 59 8.011 -14.287 -1.421
486 1HE2 GLN 59 1HE2 GLN 59 7.513 -16.376 -1.900
487 2HE2 GLN 59 2HE2 GLN 59 6.131 -17.199 -1.267
488 H GLN 60 H GLN 60 8.856 -16.351 2.455
489 HA GLN 60 HA GLN 60 10.054 -16.157 4.985
490 1HB GLN 60 2HB GLN 60 10.859 -18.511 4.476
491 2HB GLN 60 1HB GLN 60 9.123 -18.246 4.375
492 1HG GLN 60 2HG GLN 60 9.109 -18.372 2.060
493 2HG GLN 60 1HG GLN 60 10.838 -18.050 1.934
494 1HE2 GLN 60 1HE2 GLN 60 9.490 -20.170 0.664
495 2HE2 GLN 60 2HE2 GLN 60 10.100 -21.654 1.302
496 H TYR 61 H TYR 61 11.294 -15.436 1.908
497 HA TYR 61 HA TYR 61 14.075 -15.787 2.785
498 1HB TYR 61 2HB TYR 61 13.054 -15.119 0.020
499 2HB TYR 61 1HB TYR 61 14.704 -15.547 0.456
500 HD1 TYR 61 1HD TYR 61 11.823 -16.761 -1.007
501 HD2 TYR 61 2HD TYR 61 14.807 -17.913 1.801
502 HE1 TYR 61 1HE TYR 61 11.317 -19.127 -1.447
503 HE2 TYR 61 2HE TYR 61 14.308 -20.282 1.366
504 HH TYR 61 HH TYR 61 11.563 -21.330 -0.183
505 H GLY 62 H GLY 62 11.747 -13.403 2.736
506 1HA GLY 62 2HA GLY 62 12.425 -11.254 3.700
507 2HA GLY 62 1HA GLY 62 13.835 -11.310 2.656
508 H HIS 63 H HIS 63 13.314 -9.238 1.823
509 HA HIS 63 HA HIS 63 10.845 -8.556 0.652
510 1HB HIS 63 2HB HIS 63 13.396 -7.410 -0.412
511 2HB HIS 63 1HB HIS 63 11.872 -6.604 -0.059
512 HD2 HIS 63 2HD HIS 63 15.196 -6.309 1.222
513 HE1 HIS 63 1HE HIS 63 12.827 -6.302 4.728
514 HE2 HIS 63 2HE HIS 63 15.154 -5.943 3.789
515 H GLN 64 H GLN 64 10.056 -8.702 -1.441
516 HA GLN 64 HA GLN 64 11.749 -9.934 -3.466
517 1HB GLN 64 2HB GLN 64 9.088 -11.145 -3.438
518 2HB GLN 64 1HB GLN 64 10.663 -11.890 -3.659
519 1HG GLN 64 2HG GLN 64 10.414 -11.093 -0.940
520 2HG GLN 64 1HG GLN 64 8.966 -11.986 -1.407
521 1HE2 GLN 64 1HE2 GLN 64 12.101 -12.238 -0.324
522 2HE2 GLN 64 2HE2 GLN 64 12.364 -13.913 -0.650
523 H GLU 65 H GLU 65 8.317 -9.035 -2.959
524 HA GLU 65 HA GLU 65 8.274 -7.932 -5.671
525 1HB GLU 65 2HB GLU 65 6.513 -9.530 -4.307
526 2HB GLU 65 1HB GLU 65 5.778 -7.944 -4.131
527 1HG GLU 65 2HG GLU 65 6.057 -7.721 -6.661
528 2HG GLU 65 1HG GLU 65 6.369 -9.456 -6.654
529 H VAL 66 H VAL 66 8.674 -5.813 -5.895
530 HA VAL 66 HA VAL 66 7.342 -3.995 -4.034
531 HB VAL 66 HB VAL 66 9.532 -4.013 -3.169
532 1HG1 VAL 66 1HG1 VAL 66 11.490 -4.048 -4.301
533 2HG1 VAL 66 2HG1 VAL 66 10.839 -3.178 -5.692
534 3HG1 VAL 66 3HG1 VAL 66 10.457 -4.886 -5.459
535 1HG2 VAL 66 1HG2 VAL 66 10.288 -1.690 -3.568
536 2HG2 VAL 66 2HG2 VAL 66 8.556 -1.816 -3.261
537 3HG2 VAL 66 3HG2 VAL 66 9.146 -1.584 -4.908
538 H THR 67 H THR 67 6.344 -2.329 -4.938
539 HA THR 67 HA THR 67 7.061 -1.519 -7.666
540 HB THR 67 HB THR 67 4.250 -2.163 -6.747
541 HG1 THR 67 1HG THR 67 5.093 -4.041 -7.436
542 1HG2 THR 67 1HG2 THR 67 4.150 -1.690 -9.454
543 2HG2 THR 67 2HG2 THR 67 5.253 -0.438 -8.882
544 3HG2 THR 67 3HG2 THR 67 3.632 -0.565 -8.198
545 H ARG 68 H ARG 68 7.285 0.621 -7.803
546 HA ARG 68 HA ARG 68 6.467 2.297 -5.590
547 1HB ARG 68 2HB ARG 68 7.736 3.320 -8.107
548 2HB ARG 68 1HB ARG 68 7.892 3.929 -6.464
549 1HG ARG 68 2HG ARG 68 9.739 2.750 -6.184
550 2HG ARG 68 1HG ARG 68 8.862 1.259 -6.524
551 1HD ARG 68 2HD ARG 68 10.575 2.909 -8.288
552 2HD ARG 68 1HD ARG 68 10.392 1.158 -8.201
553 HE ARG 68 HE ARG 68 8.095 1.718 -9.277
554 1HH1 ARG 68 1HH1 ARG 68 11.138 3.289 -9.923
555 2HH1 ARG 68 2HH1 ARG 68 10.725 3.704 -11.553
556 1HH2 ARG 68 1HH2 ARG 68 7.544 2.261 -11.422
557 2HH2 ARG 68 2HH2 ARG 68 8.680 3.122 -12.404
558 H PHE 69 H PHE 69 4.978 3.951 -5.641
559 HA PHE 69 HA PHE 69 3.590 4.630 -8.083
560 1HB PHE 69 2HB PHE 69 1.339 4.092 -6.923
561 2HB PHE 69 1HB PHE 69 2.239 2.769 -7.658
562 HD1 PHE 69 1HD PHE 69 1.784 4.501 -4.389
563 HD2 PHE 69 2HD PHE 69 2.662 0.866 -6.424
564 HE1 PHE 69 1HE PHE 69 1.765 3.297 -2.241
565 HE2 PHE 69 2HE PHE 69 2.642 -0.343 -4.281
566 HZ PHE 69 HZ PHE 69 2.194 0.872 -2.186
567 H ASP 70 H ASP 70 2.042 6.387 -7.788
568 HA ASP 70 HA ASP 70 2.684 8.029 -5.428
569 1HB ASP 70 2HB ASP 70 1.861 9.936 -6.925
570 2HB ASP 70 1HB ASP 70 3.404 9.208 -7.362
571 H PHE 71 H PHE 71 0.997 8.709 -4.128
572 HA PHE 71 HA PHE 71 -1.713 8.451 -5.133
573 1HB PHE 71 2HB PHE 71 -2.439 6.767 -3.720
574 2HB PHE 71 1HB PHE 71 -0.829 6.209 -4.154
575 HD1 PHE 71 1HD PHE 71 -3.041 6.963 -1.493
576 HD2 PHE 71 2HD PHE 71 1.087 6.802 -2.528
577 HE1 PHE 71 1HE PHE 71 -2.451 6.827 0.891
578 HE2 PHE 71 2HE PHE 71 1.681 6.663 -0.145
579 HZ PHE 71 HZ PHE 71 -0.088 6.674 1.567
580 H THR 72 H THR 72 -3.183 9.701 -4.125
581 HA THR 72 HA THR 72 -2.596 10.942 -1.584
582 HB THR 72 HB THR 72 -3.409 13.003 -3.474
583 HG1 THR 72 1HG THR 72 -0.895 12.938 -4.026
584 1HG2 THR 72 1HG2 THR 72 -2.634 13.306 -1.120
585 2HG2 THR 72 2HG2 THR 72 -1.751 14.278 -2.297
586 3HG2 THR 72 3HG2 THR 72 -1.023 12.810 -1.641
587 H THR 73 H THR 73 -4.452 12.383 -0.893
588 HA THR 73 HA THR 73 -6.939 11.020 -1.525
589 HB THR 73 HB THR 73 -6.680 11.385 0.798
590 HG1 THR 73 1HG THR 73 -8.368 13.090 1.164
591 1HG2 THR 73 1HG2 THR 73 -6.581 14.146 1.215
592 2HG2 THR 73 2HG2 THR 73 -5.389 13.825 -0.044
593 3HG2 THR 73 3HG2 THR 73 -5.291 12.980 1.501
594 H THR 74 H THR 74 -6.998 11.823 -3.729
595 HA THR 74 HA THR 74 -7.937 13.113 -5.340
596 HB THR 74 HB THR 74 -9.497 13.691 -3.122
597 HG1 THR 74 1HG THR 74 -9.662 14.226 -5.883
598 1HG2 THR 74 1HG2 THR 74 -10.028 16.142 -3.501
599 2HG2 THR 74 2HG2 THR 74 -8.484 16.254 -4.346
600 3HG2 THR 74 3HG2 THR 74 -8.527 15.802 -2.642
601 H SER 75 H SER 75 -7.646 15.156 -6.466
602 HA SER 75 HA SER 75 -6.387 16.896 -7.205
603 1HB SER 75 2HB SER 75 -6.894 17.464 -4.523
604 2HB SER 75 1HB SER 75 -5.156 17.709 -4.697
605 HG SER 75 HG SER 75 -6.746 19.505 -5.233
606 H THR 76 H THR 76 -5.130 14.931 -8.001
607 HA THR 76 HA THR 76 -2.360 15.473 -7.748
608 HB THR 76 HB THR 76 -3.470 13.195 -6.166
609 HG1 THR 76 1HG THR 76 -1.143 14.802 -5.815
610 1HG2 THR 76 1HG2 THR 76 -0.977 12.336 -6.250
611 2HG2 THR 76 2HG2 THR 76 -1.013 13.069 -7.853
612 3HG2 THR 76 3HG2 THR 76 -2.161 11.796 -7.440
613 H SER 77 H SER 77 -1.107 14.373 -9.297
614 HA SER 77 HA SER 77 -0.703 13.406 -11.311
615 1HB SER 77 2HB SER 77 -1.377 11.371 -9.939
616 2HB SER 77 1HB SER 77 -2.972 11.512 -10.678
617 HG SER 77 HG SER 77 -1.074 11.631 -12.571
618 H THR 78 H THR 78 -2.228 12.327 -13.297
619 HA THR 78 HA THR 78 -4.311 14.330 -13.826
620 HB THR 78 HB THR 78 -3.352 13.869 -16.323
621 HG1 THR 78 1HG THR 78 -1.038 14.028 -16.135
622 1HG2 THR 78 1HG2 THR 78 -2.113 16.056 -16.035
623 2HG2 THR 78 2HG2 THR 78 -2.548 15.979 -14.328
624 3HG2 THR 78 3HG2 THR 78 -3.810 16.069 -15.557
625 HA PRO 79 HA PRO 79 -7.353 11.507 -15.379
626 1HB PRO 79 2HB PRO 79 -6.138 12.187 -18.042
627 2HB PRO 79 1HB PRO 79 -7.845 11.913 -17.649
628 1HG PRO 79 2HG PRO 79 -6.838 14.392 -17.797
629 2HG PRO 79 1HG PRO 79 -8.058 13.963 -16.583
630 1HD PRO 79 2HD PRO 79 -5.229 14.629 -16.209
631 2HD PRO 79 1HD PRO 79 -6.527 14.529 -15.002
632 H GLY 80 H GLY 80 -6.889 9.428 -14.876
633 1HA GLY 80 2HA GLY 80 -6.343 7.334 -16.187
634 2HA GLY 80 1HA GLY 80 -4.765 8.072 -16.414
635 H SER 81 H SER 81 -6.985 6.768 -14.003
636 HA SER 81 HA SER 81 -4.881 6.668 -11.998
637 1HB SER 81 2HB SER 81 -7.599 5.432 -11.658
638 2HB SER 81 1HB SER 81 -6.546 6.150 -10.439
639 HG SER 81 HG SER 81 -7.523 7.770 -12.504
640 H ARG 82 H ARG 82 -3.739 4.900 -11.449
641 HA ARG 82 HA ARG 82 -3.829 2.611 -13.166
642 1HB ARG 82 2HB ARG 82 -2.208 3.278 -10.712
643 2HB ARG 82 1HB ARG 82 -2.047 1.750 -11.568
644 1HG ARG 82 2HG ARG 82 -1.815 3.578 -13.589
645 2HG ARG 82 1HG ARG 82 -1.020 4.393 -12.239
646 1HD ARG 82 2HD ARG 82 0.785 3.183 -12.732
647 2HD ARG 82 1HD ARG 82 -0.088 1.795 -12.083
648 HE ARG 82 HE ARG 82 -0.431 1.027 -14.229
649 1HH1 ARG 82 1HH1 ARG 82 0.892 4.252 -14.318
650 2HH1 ARG 82 2HH1 ARG 82 1.224 4.206 -16.017
651 1HH2 ARG 82 1HH2 ARG 82 0.005 0.958 -16.463
652 2HH2 ARG 82 2HH2 ARG 82 0.718 2.333 -17.238
653 H SER 83 H SER 83 -5.735 3.473 -10.644
654 HA SER 83 HA SER 83 -6.407 0.673 -10.070
655 1HB SER 83 2HB SER 83 -5.526 2.721 -8.170
656 2HB SER 83 1HB SER 83 -7.055 1.968 -7.720
657 HG SER 83 HG SER 83 -4.719 0.523 -8.421
658 H HIS 84 H HIS 84 -8.583 0.871 -8.575
659 HA HIS 84 HA HIS 84 -10.403 2.623 -10.097
660 1HB HIS 84 2HB HIS 84 -11.745 0.325 -8.964
661 2HB HIS 84 1HB HIS 84 -11.698 0.876 -10.634
662 HD2 HIS 84 2HD HIS 84 -10.419 -0.784 -12.301
663 HE1 HIS 84 1HE HIS 84 -8.310 -2.978 -9.359
664 HE2 HIS 84 2HE HIS 84 -8.996 -2.894 -11.799
665 H HIS 85 H HIS 85 -11.041 4.215 -8.800
666 HA HIS 85 HA HIS 85 -12.229 3.558 -6.231
667 1HB HIS 85 2HB HIS 85 -10.930 5.453 -5.140
668 2HB HIS 85 1HB HIS 85 -10.021 3.981 -5.468
669 HD2 HIS 85 2HD HIS 85 -8.250 4.165 -7.705
670 HE1 HIS 85 1HE HIS 85 -8.249 8.396 -7.621
671 HE2 HIS 85 2HE HIS 85 -7.221 6.336 -8.681
672 H HIS 86 H HIS 86 -13.145 4.538 -8.833
673 HA HIS 86 HA HIS 86 -13.978 7.277 -8.230
674 1HB HIS 86 2HB HIS 86 -13.852 5.614 -10.708
675 2HB HIS 86 1HB HIS 86 -15.027 6.922 -10.636
676 HD2 HIS 86 2HD HIS 86 -11.674 6.470 -11.967
677 HE1 HIS 86 1HE HIS 86 -11.680 10.435 -10.491
678 HE2 HIS 86 2HE HIS 86 -10.376 8.710 -11.814
679 H HIS 87 H HIS 87 -15.114 4.065 -8.116
680 HA HIS 87 HA HIS 87 -17.788 5.027 -7.407
681 1HB HIS 87 2HB HIS 87 -17.233 3.716 -9.833
682 2HB HIS 87 1HB HIS 87 -17.989 2.505 -8.802
683 HD2 HIS 87 2HD HIS 87 -20.498 3.620 -7.600
684 HE1 HIS 87 1HE HIS 87 -21.204 5.771 -11.176
685 HE2 HIS 87 2HE HIS 87 -22.270 4.776 -9.102
686 H HIS 88 H HIS 88 -19.085 3.255 -6.341
687 HA HIS 88 HA HIS 88 -17.430 2.002 -4.336
688 1HB HIS 88 2HB HIS 88 -19.680 1.251 -3.423
689 2HB HIS 88 1HB HIS 88 -19.420 2.990 -3.510
690 HD2 HIS 88 2HD HIS 88 -21.931 3.862 -3.957
691 HE1 HIS 88 1HE HIS 88 -22.741 1.386 -7.289
692 HE2 HIS 88 2HE HIS 88 -23.676 3.165 -5.745
693 H HIS 89 H HIS 89 -18.811 -0.282 -3.698
694 HA HIS 89 HA HIS 89 -18.827 -2.515 -4.122
695 1HB HIS 89 2HB HIS 89 -20.629 -1.610 -5.731
696 2HB HIS 89 1HB HIS 89 -19.434 -1.866 -6.999
697 HD2 HIS 89 2HD HIS 89 -20.237 -4.096 -8.242
698 HE1 HIS 89 1HE HIS 89 -21.016 -6.399 -4.778
699 HE2 HIS 89 2HE HIS 89 -20.763 -6.455 -7.300
Start of MODEL 30
1 1H MET 1 1HT MET 1 11.382 -14.318 -7.706
2 2H MET 1 2HT MET 1 10.113 -15.301 -7.176
3 3H MET 1 3HT MET 1 9.831 -14.120 -8.354
4 HA MET 1 HA MET 1 10.241 -16.687 -8.907
5 1HB MET 1 2HB MET 1 10.970 -15.754 -11.203
6 2HB MET 1 1HB MET 1 9.410 -15.257 -10.563
7 1HG MET 1 2HG MET 1 10.529 -13.190 -9.700
8 2HG MET 1 1HG MET 1 11.965 -13.678 -10.599
9 1HE MET 1 1HE MET 1 12.000 -14.249 -12.951
10 2HE MET 1 2HE MET 1 12.230 -12.525 -13.239
11 3HE MET 1 3HE MET 1 11.077 -13.435 -14.214
12 H ARG 2 H ARG 2 11.961 -17.536 -7.602
13 HA ARG 2 HA ARG 2 14.555 -17.345 -8.947
14 1HB ARG 2 2HB ARG 2 14.266 -15.934 -6.719
15 2HB ARG 2 1HB ARG 2 14.556 -17.498 -5.968
16 1HG ARG 2 2HG ARG 2 16.708 -17.659 -6.856
17 2HG ARG 2 1HG ARG 2 16.401 -16.407 -8.062
18 1HD ARG 2 2HD ARG 2 17.364 -14.971 -6.658
19 2HD ARG 2 1HD ARG 2 15.937 -15.145 -5.638
20 HE ARG 2 HE ARG 2 17.130 -16.596 -4.245
21 1HH1 ARG 2 1HH1 ARG 2 19.057 -15.510 -6.940
22 2HH1 ARG 2 2HH1 ARG 2 20.556 -16.016 -6.235
23 1HH2 ARG 2 1HH2 ARG 2 19.099 -17.260 -3.311
24 2HH2 ARG 2 2HH2 ARG 2 20.581 -17.010 -4.175
25 H GLY 3 H GLY 3 12.865 -19.371 -9.422
26 1HA GLY 3 2HA GLY 3 13.324 -21.683 -9.641
27 2HA GLY 3 1HA GLY 3 14.242 -21.617 -8.145
28 H SER 4 H SER 4 12.708 -23.683 -8.201
29 HA SER 4 HA SER 4 10.209 -22.969 -6.815
30 1HB SER 4 2HB SER 4 10.209 -24.388 -9.001
31 2HB SER 4 1HB SER 4 10.758 -25.696 -7.954
32 HG SER 4 HG SER 4 8.861 -25.104 -6.620
33 H ASN 5 H ASN 5 10.830 -22.856 -4.707
34 HA ASN 5 HA ASN 5 11.969 -25.312 -3.549
35 1HB ASN 5 2HB ASN 5 13.534 -23.281 -3.658
36 2HB ASN 5 1HB ASN 5 12.496 -22.565 -2.429
37 1HD2 ASN 5 1HD2 ASN 5 12.442 -23.463 -0.368
38 2HD2 ASN 5 2HD2 ASN 5 13.668 -24.543 0.192
39 H ALA 6 H ALA 6 10.886 -22.355 -1.938
40 HA ALA 6 HA ALA 6 8.742 -23.934 -0.673
41 1HB ALA 6 1HB ALA 6 9.366 -23.254 1.366
42 2HB ALA 6 2HB ALA 6 9.663 -21.601 0.827
43 3HB ALA 6 3HB ALA 6 10.899 -22.839 0.600
44 HA PRO 7 HA PRO 7 6.517 -20.656 -2.994
45 1HB PRO 7 2HB PRO 7 4.275 -22.513 -2.492
46 2HB PRO 7 1HB PRO 7 4.833 -21.809 -4.012
47 1HG PRO 7 2HG PRO 7 5.238 -24.392 -3.454
48 2HG PRO 7 1HG PRO 7 6.447 -23.436 -4.329
49 1HD PRO 7 2HD PRO 7 6.403 -24.261 -1.449
50 2HD PRO 7 1HD PRO 7 7.766 -24.219 -2.588
51 H GLN 8 H GLN 8 3.923 -20.136 -2.409
52 HA GLN 8 HA GLN 8 4.007 -19.426 0.449
53 1HB GLN 8 2HB GLN 8 2.627 -17.471 -0.151
54 2HB GLN 8 1HB GLN 8 4.181 -17.469 -0.972
55 1HG GLN 8 2HG GLN 8 3.087 -18.350 -2.992
56 2HG GLN 8 1HG GLN 8 1.535 -18.270 -2.162
57 1HE2 GLN 8 1HE2 GLN 8 0.890 -16.882 -3.908
58 2HE2 GLN 8 2HE2 GLN 8 1.302 -15.205 -3.872
59 HA PRO 9 HA PRO 9 0.217 -21.681 0.895
60 1HB PRO 9 2HB PRO 9 -0.598 -20.773 3.277
61 2HB PRO 9 1HB PRO 9 0.862 -21.758 3.119
62 1HG PRO 9 2HG PRO 9 0.596 -18.792 3.417
63 2HG PRO 9 1HG PRO 9 1.750 -19.894 4.188
64 1HD PRO 9 2HD PRO 9 2.320 -18.350 1.983
65 2HD PRO 9 1HD PRO 9 3.162 -19.858 2.390
66 H SER 10 H SER 10 -0.376 -19.959 -0.992
67 HA SER 10 HA SER 10 -2.063 -18.788 -1.960
68 1HB SER 10 2HB SER 10 -3.441 -19.687 0.559
69 2HB SER 10 1HB SER 10 -4.258 -18.641 -0.601
70 HG SER 10 HG SER 10 -3.672 -21.313 -0.754
71 H HIS 11 H HIS 11 -0.423 -17.772 0.698
72 HA HIS 11 HA HIS 11 -1.216 -15.009 0.248
73 1HB HIS 11 2HB HIS 11 -1.295 -16.331 2.967
74 2HB HIS 11 1HB HIS 11 -1.289 -14.585 2.730
75 HD2 HIS 11 2HD HIS 11 -3.750 -17.346 3.183
76 HE1 HIS 11 1HE HIS 11 -5.806 -14.278 1.118
77 HE2 HIS 11 2HE HIS 11 -6.033 -16.528 2.263
78 H ILE 12 H ILE 12 0.280 -13.532 1.604
79 HA ILE 12 HA ILE 12 3.012 -14.550 1.267
80 HB ILE 12 HB ILE 12 2.353 -12.467 0.066
81 1HG1 ILE 12 2HG1 ILE 12 4.335 -11.247 1.734
82 2HG1 ILE 12 1HG1 ILE 12 4.680 -12.972 1.621
83 1HG2 ILE 12 1HG2 ILE 12 1.727 -11.637 2.839
84 2HG2 ILE 12 2HG2 ILE 12 0.939 -11.209 1.319
85 3HG2 ILE 12 3HG2 ILE 12 2.451 -10.427 1.780
86 1HD1 ILE 12 1HD1 ILE 12 4.012 -11.805 -0.949
87 2HD1 ILE 12 2HD1 ILE 12 5.396 -12.787 -0.471
88 3HD1 ILE 12 3HD1 ILE 12 5.413 -11.047 -0.192
89 H SER 13 H SER 13 4.643 -13.982 2.852
90 HA SER 13 HA SER 13 3.897 -14.570 5.488
91 1HB SER 13 2HB SER 13 6.298 -14.309 4.094
92 2HB SER 13 1HB SER 13 6.379 -13.053 5.330
93 HG SER 13 HG SER 13 6.338 -14.544 6.879
94 H LYS 14 H LYS 14 4.639 -11.488 3.888
95 HA LYS 14 HA LYS 14 2.835 -10.017 5.470
96 1HB LYS 14 2HB LYS 14 4.581 -8.594 6.652
97 2HB LYS 14 1HB LYS 14 4.291 -10.198 7.311
98 1HG LYS 14 2HG LYS 14 6.401 -10.210 5.326
99 2HG LYS 14 1HG LYS 14 6.738 -9.099 6.655
100 1HD LYS 14 2HD LYS 14 6.238 -10.944 8.247
101 2HD LYS 14 1HD LYS 14 6.070 -12.032 6.868
102 1HE LYS 14 2HE LYS 14 8.257 -12.412 7.028
103 2HE LYS 14 1HE LYS 14 8.506 -10.762 6.457
104 1HZ LYS 14 1HZ LYS 14 8.709 -9.978 8.652
105 2HZ LYS 14 2HZ LYS 14 9.651 -11.382 8.591
106 3HZ LYS 14 3HZ LYS 14 8.126 -11.418 9.320
107 H TYR 15 H TYR 15 2.530 -7.946 4.732
108 HA TYR 15 HA TYR 15 4.069 -7.172 2.343
109 1HB TYR 15 2HB TYR 15 1.237 -6.742 3.217
110 2HB TYR 15 1HB TYR 15 1.987 -5.523 2.198
111 HD1 TYR 15 1HD TYR 15 3.250 -6.594 0.069
112 HD2 TYR 15 2HD TYR 15 0.000 -8.366 2.170
113 HE1 TYR 15 1HE TYR 15 2.671 -7.896 -1.934
114 HE2 TYR 15 2HE TYR 15 -0.586 -9.673 0.176
115 HH TYR 15 HH TYR 15 -0.042 -9.169 -2.584
116 H ILE 16 H ILE 16 5.143 -5.202 2.305
117 HA ILE 16 HA ILE 16 4.854 -3.554 4.725
118 HB ILE 16 HB ILE 16 7.269 -4.476 3.329
119 1HG1 ILE 16 2HG1 ILE 16 6.701 -4.973 5.689
120 2HG1 ILE 16 1HG1 ILE 16 8.245 -4.137 5.540
121 1HG2 ILE 16 1HG2 ILE 16 7.682 -2.364 2.512
122 2HG2 ILE 16 2HG2 ILE 16 8.417 -2.243 4.112
123 3HG2 ILE 16 3HG2 ILE 16 6.812 -1.566 3.824
124 1HD1 ILE 16 1HD1 ILE 16 7.545 -2.517 6.881
125 2HD1 ILE 16 2HD1 ILE 16 6.068 -3.442 7.152
126 3HD1 ILE 16 3HD1 ILE 16 6.127 -2.230 5.871
127 H LEU 17 H LEU 17 4.172 -1.560 4.473
128 HA LEU 17 HA LEU 17 4.164 -0.438 1.755
129 1HB LEU 17 2HB LEU 17 2.025 -0.893 3.527
130 2HB LEU 17 1HB LEU 17 2.279 0.835 3.490
131 HG LEU 17 HG LEU 17 2.034 -0.767 0.965
132 1HD1 LEU 17 1HD1 LEU 17 -0.365 -0.004 0.965
133 2HD1 LEU 17 2HD1 LEU 17 -0.161 0.404 2.669
134 3HD1 LEU 17 3HD1 LEU 17 0.018 -1.268 2.134
135 1HD2 LEU 17 1HD2 LEU 17 2.479 1.212 0.080
136 2HD2 LEU 17 2HD2 LEU 17 2.435 1.984 1.664
137 3HD2 LEU 17 3HD2 LEU 17 0.949 1.795 0.734
138 H ARG 18 H ARG 18 5.536 1.161 1.531
139 HA ARG 18 HA ARG 18 6.056 2.898 3.849
140 1HB ARG 18 2HB ARG 18 8.154 3.057 1.904
141 2HB ARG 18 1HB ARG 18 8.246 2.557 3.588
142 1HG ARG 18 2HG ARG 18 7.186 0.340 2.484
143 2HG ARG 18 1HG ARG 18 8.155 0.940 1.136
144 1HD ARG 18 2HD ARG 18 9.368 0.820 3.854
145 2HD ARG 18 1HD ARG 18 9.175 -0.677 2.937
146 HE ARG 18 HE ARG 18 10.383 0.878 1.143
147 1HH1 ARG 18 1HH1 ARG 18 11.080 0.360 4.519
148 2HH1 ARG 18 2HH1 ARG 18 12.784 0.613 4.337
149 1HH2 ARG 18 1HH2 ARG 18 12.623 1.215 0.895
150 2HH2 ARG 18 2HH2 ARG 18 13.661 1.099 2.278
151 H TRP 19 H TRP 19 5.618 4.999 3.618
152 HA TRP 19 HA TRP 19 5.744 6.227 1.016
153 1HB TRP 19 2HB TRP 19 3.524 6.789 0.706
154 2HB TRP 19 1HB TRP 19 3.386 5.168 1.373
155 HD1 TRP 19 HD TRP 19 2.521 8.785 2.079
156 HE1 TRP 19 1HE TRP 19 1.053 8.899 4.195
157 HE3 TRP 19 3HE TRP 19 2.965 3.935 3.647
158 HZ2 TRP 19 2HZ TRP 19 0.192 7.160 6.248
159 HZ3 TRP 19 3HZ TRP 19 1.780 3.238 5.687
160 HH2 TRP 19 HH TRP 19 0.424 4.820 6.962
161 H ARG 20 H ARG 20 6.027 8.402 1.039
162 HA ARG 20 HA ARG 20 5.792 9.870 3.540
163 1HB ARG 20 2HB ARG 20 7.965 9.787 4.054
164 2HB ARG 20 1HB ARG 20 8.278 8.790 2.645
165 1HG ARG 20 2HG ARG 20 8.045 11.725 2.247
166 2HG ARG 20 1HG ARG 20 9.498 11.099 3.028
167 1HD ARG 20 2HD ARG 20 9.044 9.418 0.841
168 2HD ARG 20 1HD ARG 20 8.743 11.049 0.245
169 HE ARG 20 HE ARG 20 11.265 9.913 0.920
170 1HH1 ARG 20 1HH1 ARG 20 9.475 12.903 0.904
171 2HH1 ARG 20 2HH1 ARG 20 10.888 13.898 0.789
172 1HH2 ARG 20 1HH2 ARG 20 13.128 11.216 0.770
173 2HH2 ARG 20 2HH2 ARG 20 12.964 12.940 0.712
174 HA PRO 21 HA PRO 21 4.523 13.211 0.980
175 1HB PRO 21 2HB PRO 21 6.393 14.919 2.559
176 2HB PRO 21 1HB PRO 21 4.668 15.143 2.227
177 1HG PRO 21 2HG PRO 21 5.405 14.301 4.609
178 2HG PRO 21 1HG PRO 21 4.036 13.526 3.785
179 1HD PRO 21 2HD PRO 21 6.854 12.555 4.046
180 2HD PRO 21 1HD PRO 21 5.336 11.661 4.253
181 H LYS 22 H LYS 22 5.113 13.648 -1.002
182 HA LYS 22 HA LYS 22 7.909 13.631 -1.772
183 1HB LYS 22 2HB LYS 22 5.291 13.456 -3.177
184 2HB LYS 22 1HB LYS 22 6.647 14.115 -4.082
185 1HG LYS 22 2HG LYS 22 7.923 12.023 -3.357
186 2HG LYS 22 1HG LYS 22 6.346 11.383 -2.890
187 1HD LYS 22 2HD LYS 22 6.589 10.597 -5.057
188 2HD LYS 22 1HD LYS 22 5.634 12.063 -5.286
189 1HE LYS 22 2HE LYS 22 8.310 12.882 -5.363
190 2HE LYS 22 1HE LYS 22 8.241 11.398 -6.312
191 1HZ LYS 22 1HZ LYS 22 7.711 12.958 -7.877
192 2HZ LYS 22 2HZ LYS 22 6.907 13.968 -6.785
193 3HZ LYS 22 3HZ LYS 22 6.161 12.555 -7.334
194 H ASN 23 H ASN 23 5.242 15.881 -1.479
195 HA ASN 23 HA ASN 23 6.874 18.049 -2.582
196 1HB ASN 23 2HB ASN 23 4.563 17.803 -3.414
197 2HB ASN 23 1HB ASN 23 3.961 18.025 -1.775
198 1HD2 ASN 23 1HD2 ASN 23 2.773 19.834 -2.375
199 2HD2 ASN 23 2HD2 ASN 23 3.523 21.357 -2.704
200 H SER 24 H SER 24 5.059 17.176 0.336
201 HA SER 24 HA SER 24 5.993 19.519 1.754
202 1HB SER 24 2HB SER 24 3.779 17.887 2.011
203 2HB SER 24 1HB SER 24 4.784 17.402 3.376
204 HG SER 24 HG SER 24 4.846 20.039 3.253
205 H VAL 25 H VAL 25 7.099 16.385 1.135
206 HA VAL 25 HA VAL 25 8.803 15.102 1.887
207 HB VAL 25 HB VAL 25 10.819 16.129 2.147
208 1HG1 VAL 25 1HG1 VAL 25 10.770 17.521 0.420
209 2HG1 VAL 25 2HG1 VAL 25 9.934 18.752 1.367
210 3HG1 VAL 25 3HG1 VAL 25 9.008 17.507 0.529
211 1HG2 VAL 25 1HG2 VAL 25 10.646 18.639 3.238
212 2HG2 VAL 25 2HG2 VAL 25 11.095 17.172 4.107
213 3HG2 VAL 25 3HG2 VAL 25 9.427 17.741 4.142
214 H GLY 26 H GLY 26 10.166 14.495 3.874
215 1HA GLY 26 2HA GLY 26 9.905 15.059 6.439
216 2HA GLY 26 1HA GLY 26 8.311 14.388 6.131
217 H ARG 27 H ARG 27 8.385 12.527 7.260
218 HA ARG 27 HA ARG 27 10.604 10.676 6.695
219 1HB ARG 27 2HB ARG 27 10.239 11.421 9.081
220 2HB ARG 27 1HB ARG 27 8.706 10.560 9.040
221 1HG ARG 27 2HG ARG 27 9.960 8.481 8.499
222 2HG ARG 27 1HG ARG 27 11.458 9.382 8.739
223 1HD ARG 27 2HD ARG 27 9.366 9.381 10.871
224 2HD ARG 27 1HD ARG 27 10.437 7.991 10.696
225 HE ARG 27 HE ARG 27 12.264 9.360 11.285
226 1HH1 ARG 27 1HH1 ARG 27 9.225 11.061 11.359
227 2HH1 ARG 27 2HH1 ARG 27 9.830 12.365 12.325
228 1HH2 ARG 27 1HH2 ARG 27 13.071 11.074 12.557
229 2HH2 ARG 27 2HH2 ARG 27 12.016 12.373 13.004
230 H TRP 28 H TRP 28 10.113 8.428 6.453
231 HA TRP 28 HA TRP 28 7.758 7.981 4.870
232 1HB TRP 28 2HB TRP 28 10.018 6.179 5.748
233 2HB TRP 28 1HB TRP 28 8.675 5.618 4.759
234 HD1 TRP 28 HD TRP 28 11.702 7.990 4.604
235 HE1 TRP 28 1HE TRP 28 12.294 8.382 2.131
236 HE3 TRP 28 3HE TRP 28 7.761 5.568 2.432
237 HZ2 TRP 28 2HZ TRP 28 11.232 7.745 -0.407
238 HZ3 TRP 28 3HZ TRP 28 7.620 5.506 -0.024
239 HH2 TRP 28 HH TRP 28 9.323 6.571 -1.412
240 H LYS 29 H LYS 29 6.612 5.766 5.269
241 HA LYS 29 HA LYS 29 6.070 5.334 8.116
242 1HB LYS 29 2HB LYS 29 4.199 6.436 6.117
243 2HB LYS 29 1HB LYS 29 3.560 5.102 7.066
244 1HG LYS 29 2HG LYS 29 3.257 6.403 8.834
245 2HG LYS 29 1HG LYS 29 4.911 7.014 8.748
246 1HD LYS 29 2HD LYS 29 4.310 8.759 7.302
247 2HD LYS 29 1HD LYS 29 2.772 8.001 6.888
248 1HE LYS 29 2HE LYS 29 3.186 8.642 9.740
249 2HE LYS 29 1HE LYS 29 3.015 10.019 8.652
250 1HZ LYS 29 1HZ LYS 29 1.060 7.976 9.386
251 2HZ LYS 29 2HZ LYS 29 0.991 8.584 7.810
252 3HZ LYS 29 3HZ LYS 29 0.846 9.635 9.128
253 H GLU 30 H GLU 30 5.745 3.192 8.597
254 HA GLU 30 HA GLU 30 5.563 1.372 6.283
255 1HB GLU 30 2HB GLU 30 6.739 -0.242 8.015
256 2HB GLU 30 1HB GLU 30 7.666 0.865 7.014
257 1HG GLU 30 2HG GLU 30 7.628 2.485 8.919
258 2HG GLU 30 1HG GLU 30 6.905 1.211 9.901
259 H ALA 31 H ALA 31 4.020 -0.096 6.256
260 HA ALA 31 HA ALA 31 2.595 -0.778 8.732
261 1HB ALA 31 1HB ALA 31 1.528 0.727 6.524
262 2HB ALA 31 2HB ALA 31 0.770 0.308 8.061
263 3HB ALA 31 3HB ALA 31 0.666 -0.802 6.694
264 H THR 32 H THR 32 2.373 -2.931 8.964
265 HA THR 32 HA THR 32 3.043 -4.605 6.655
266 HB THR 32 HB THR 32 2.834 -5.687 9.436
267 HG1 THR 32 1HG THR 32 4.216 -3.687 9.261
268 1HG2 THR 32 1HG2 THR 32 3.768 -7.493 8.515
269 2HG2 THR 32 2HG2 THR 32 5.064 -6.532 7.805
270 3HG2 THR 32 3HG2 THR 32 3.538 -6.730 6.942
271 H ILE 33 H ILE 33 1.680 -5.974 5.750
272 HA ILE 33 HA ILE 33 -0.774 -6.764 7.145
273 HB ILE 33 HB ILE 33 -1.222 -6.285 4.294
274 1HG1 ILE 33 2HG1 ILE 33 -1.610 -3.710 5.218
275 2HG1 ILE 33 1HG1 ILE 33 -0.056 -4.149 5.918
276 1HG2 ILE 33 1HG2 ILE 33 -3.179 -4.969 5.504
277 2HG2 ILE 33 2HG2 ILE 33 -2.636 -5.938 6.874
278 3HG2 ILE 33 3HG2 ILE 33 -3.162 -6.728 5.389
279 1HD1 ILE 33 1HD1 ILE 33 0.874 -4.574 3.776
280 2HD1 ILE 33 2HD1 ILE 33 0.058 -3.011 3.704
281 3HD1 ILE 33 3HD1 ILE 33 -0.703 -4.437 2.999
282 HA PRO 34 HA PRO 34 0.997 -10.443 5.203
283 1HB PRO 34 2HB PRO 34 0.041 -12.243 6.948
284 2HB PRO 34 1HB PRO 34 1.409 -11.193 7.336
285 1HG PRO 34 2HG PRO 34 -1.446 -10.983 8.180
286 2HG PRO 34 1HG PRO 34 0.026 -10.625 9.097
287 1HD PRO 34 2HD PRO 34 -1.581 -8.738 7.846
288 2HD PRO 34 1HD PRO 34 0.104 -8.484 8.336
289 H GLY 35 H GLY 35 -0.119 -10.628 3.303
290 1HA GLY 35 2HA GLY 35 -1.532 -11.777 1.879
291 2HA GLY 35 1HA GLY 35 -2.306 -12.493 3.282
292 H HIS 36 H HIS 36 -2.202 -9.137 3.566
293 HA HIS 36 HA HIS 36 -3.843 -7.552 3.559
294 1HB HIS 36 2HB HIS 36 -3.802 -8.757 0.905
295 2HB HIS 36 1HB HIS 36 -5.377 -8.078 1.300
296 HD2 HIS 36 2HD HIS 36 -2.495 -6.083 2.819
297 HE1 HIS 36 1HE HIS 36 -3.677 -4.134 -0.747
298 HE2 HIS 36 2HE HIS 36 -2.183 -4.005 1.298
299 H LEU 37 H LEU 37 -4.958 -8.287 5.383
300 HA LEU 37 HA LEU 37 -6.906 -10.331 5.330
301 1HB LEU 37 2HB LEU 37 -6.946 -8.054 7.285
302 2HB LEU 37 1HB LEU 37 -7.446 -9.714 7.533
303 HG LEU 37 HG LEU 37 -5.479 -9.656 8.722
304 1HD1 LEU 37 1HD1 LEU 37 -5.201 -11.504 7.280
305 2HD1 LEU 37 2HD1 LEU 37 -3.649 -10.666 7.306
306 3HD1 LEU 37 3HD1 LEU 37 -4.731 -10.474 5.927
307 1HD2 LEU 37 1HD2 LEU 37 -5.024 -7.296 7.473
308 2HD2 LEU 37 2HD2 LEU 37 -3.738 -8.293 6.793
309 3HD2 LEU 37 3HD2 LEU 37 -3.874 -8.101 8.541
310 H ASN 38 H ASN 38 -6.980 -7.030 4.376
311 HA ASN 38 HA ASN 38 -9.586 -7.283 3.275
312 1HB ASN 38 2HB ASN 38 -10.676 -5.488 4.612
313 2HB ASN 38 1HB ASN 38 -10.333 -6.938 5.552
314 1HD2 ASN 38 1HD2 ASN 38 -9.810 -3.593 5.208
315 2HD2 ASN 38 2HD2 ASN 38 -8.752 -3.382 6.556
316 H SER 39 H SER 39 -10.356 -4.748 2.865
317 HA SER 39 HA SER 39 -8.329 -3.771 1.082
318 1HB SER 39 2HB SER 39 -10.374 -1.857 1.220
319 2HB SER 39 1HB SER 39 -10.191 -3.128 0.011
320 HG SER 39 HG SER 39 -12.218 -3.287 0.983
321 H TYR 40 H TYR 40 -6.636 -2.736 1.935
322 HA TYR 40 HA TYR 40 -7.127 -0.764 4.060
323 1HB TYR 40 2HB TYR 40 -5.566 -2.526 4.700
324 2HB TYR 40 1HB TYR 40 -4.573 -2.191 3.286
325 HD1 TYR 40 1HD TYR 40 -6.132 0.197 5.689
326 HD2 TYR 40 2HD TYR 40 -2.534 -1.480 4.156
327 HE1 TYR 40 1HE TYR 40 -4.826 1.819 6.995
328 HE2 TYR 40 2HE TYR 40 -1.219 0.137 5.460
329 HH TYR 40 HH TYR 40 -2.389 1.859 7.972
330 H THR 41 H THR 41 -7.361 1.210 3.262
331 HA THR 41 HA THR 41 -5.498 2.097 1.155
332 HB THR 41 HB THR 41 -7.912 3.705 1.330
333 HG1 THR 41 1HG THR 41 -8.688 1.497 1.861
334 1HG2 THR 41 1HG2 THR 41 -7.754 2.533 -1.180
335 2HG2 THR 41 2HG2 THR 41 -6.077 2.630 -0.645
336 3HG2 THR 41 3HG2 THR 41 -7.070 4.087 -0.705
337 H ILE 42 H ILE 42 -4.210 3.731 1.701
338 HA ILE 42 HA ILE 42 -4.508 4.995 4.279
339 HB ILE 42 HB ILE 42 -2.433 5.353 2.113
340 1HG1 ILE 42 2HG1 ILE 42 -1.482 4.306 4.622
341 2HG1 ILE 42 1HG1 ILE 42 -2.827 3.329 4.041
342 1HG2 ILE 42 1HG2 ILE 42 -2.882 6.776 4.670
343 2HG2 ILE 42 2HG2 ILE 42 -2.162 7.344 3.165
344 3HG2 ILE 42 3HG2 ILE 42 -1.221 6.341 4.269
345 1HD1 ILE 42 1HD1 ILE 42 -1.554 3.307 1.806
346 2HD1 ILE 42 2HD1 ILE 42 -0.971 2.298 3.128
347 3HD1 ILE 42 3HD1 ILE 42 -0.171 3.827 2.769
348 H LYS 43 H LYS 43 -5.678 6.769 4.608
349 HA LYS 43 HA LYS 43 -5.781 8.790 2.481
350 1HB LYS 43 2HB LYS 43 -7.990 7.259 3.550
351 2HB LYS 43 1HB LYS 43 -8.231 8.982 3.814
352 1HG LYS 43 2HG LYS 43 -9.006 9.069 1.738
353 2HG LYS 43 1HG LYS 43 -7.336 8.841 1.209
354 1HD LYS 43 2HD LYS 43 -7.716 6.379 1.288
355 2HD LYS 43 1HD LYS 43 -9.415 6.697 1.646
356 1HE LYS 43 2HE LYS 43 -9.845 6.934 -0.518
357 2HE LYS 43 1HE LYS 43 -8.667 8.242 -0.622
358 1HZ LYS 43 1HZ LYS 43 -8.154 6.451 -2.164
359 2HZ LYS 43 2HZ LYS 43 -8.054 5.347 -0.887
360 3HZ LYS 43 3HZ LYS 43 -6.933 6.607 -1.003
361 H GLY 44 H GLY 44 -4.077 9.720 3.805
362 1HA GLY 44 2HA GLY 44 -5.227 11.381 5.947
363 2HA GLY 44 1HA GLY 44 -3.704 10.540 6.213
364 H LEU 45 H LEU 45 -4.403 11.704 3.058
365 HA LEU 45 HA LEU 45 -2.270 13.689 3.323
366 1HB LEU 45 2HB LEU 45 -3.479 13.080 0.670
367 2HB LEU 45 1HB LEU 45 -1.814 13.415 1.093
368 HG LEU 45 HG LEU 45 -1.771 11.197 0.394
369 1HD1 LEU 45 1HD1 LEU 45 -2.196 10.351 3.156
370 2HD1 LEU 45 2HD1 LEU 45 -1.129 11.747 2.981
371 3HD1 LEU 45 3HD1 LEU 45 -0.759 10.242 2.137
372 1HD2 LEU 45 1HD2 LEU 45 -3.914 10.469 0.103
373 2HD2 LEU 45 2HD2 LEU 45 -4.435 11.013 1.698
374 3HD2 LEU 45 3HD2 LEU 45 -3.468 9.548 1.539
375 H LYS 46 H LYS 46 -3.073 15.210 1.004
376 HA LYS 46 HA LYS 46 -5.696 16.255 1.417
377 1HB LYS 46 2HB LYS 46 -4.880 18.553 2.064
378 2HB LYS 46 1HB LYS 46 -4.770 17.337 3.326
379 1HG LYS 46 2HG LYS 46 -2.335 17.055 2.379
380 2HG LYS 46 1HG LYS 46 -2.615 18.697 1.799
381 1HD LYS 46 2HD LYS 46 -2.204 19.502 3.828
382 2HD LYS 46 1HD LYS 46 -3.505 18.518 4.501
383 1HE LYS 46 2HE LYS 46 -2.084 16.863 5.186
384 2HE LYS 46 1HE LYS 46 -0.918 17.186 3.903
385 1HZ LYS 46 1HZ LYS 46 -1.046 18.247 6.570
386 2HZ LYS 46 2HZ LYS 46 -0.843 19.447 5.394
387 3HZ LYS 46 3HZ LYS 46 0.261 18.170 5.498
388 HA PRO 47 HA PRO 47 -5.275 17.606 -2.741
389 1HB PRO 47 2HB PRO 47 -6.356 20.164 -2.585
390 2HB PRO 47 1HB PRO 47 -7.281 18.674 -2.791
391 1HG PRO 47 2HG PRO 47 -6.732 20.241 -0.308
392 2HG PRO 47 1HG PRO 47 -8.217 19.409 -0.808
393 1HD PRO 47 2HD PRO 47 -6.593 18.349 1.030
394 2HD PRO 47 1HD PRO 47 -7.410 17.325 -0.171
395 H GLY 48 H GLY 48 -3.270 18.004 -3.464
396 1HA GLY 48 2HA GLY 48 -1.949 19.963 -4.263
397 2HA GLY 48 1HA GLY 48 -1.987 20.520 -2.599
398 H VAL 49 H VAL 49 -1.606 17.624 -1.707
399 HA VAL 49 HA VAL 49 1.274 17.496 -2.327
400 HB VAL 49 HB VAL 49 0.777 16.153 0.124
401 1HG1 VAL 49 1HG1 VAL 49 2.922 16.976 -0.435
402 2HG1 VAL 49 2HG1 VAL 49 2.374 17.907 0.961
403 3HG1 VAL 49 3HG1 VAL 49 2.313 18.617 -0.653
404 1HG2 VAL 49 1HG2 VAL 49 -0.897 18.461 -0.199
405 2HG2 VAL 49 2HG2 VAL 49 0.296 18.746 1.067
406 3HG2 VAL 49 3HG2 VAL 49 -0.775 17.346 1.162
407 H VAL 50 H VAL 50 2.164 15.616 -2.859
408 HA VAL 50 HA VAL 50 0.425 13.243 -2.872
409 HB VAL 50 HB VAL 50 1.273 14.232 -5.146
410 1HG1 VAL 50 1HG1 VAL 50 3.416 13.226 -5.844
411 2HG1 VAL 50 2HG1 VAL 50 3.673 12.694 -4.181
412 3HG1 VAL 50 3HG1 VAL 50 3.614 14.419 -4.559
413 1HG2 VAL 50 1HG2 VAL 50 0.932 11.491 -4.164
414 2HG2 VAL 50 2HG2 VAL 50 1.819 11.616 -5.685
415 3HG2 VAL 50 3HG2 VAL 50 0.198 12.297 -5.553
416 H TYR 51 H TYR 51 1.369 11.268 -2.317
417 HA TYR 51 HA TYR 51 3.893 11.517 -0.830
418 1HB TYR 51 2HB TYR 51 1.464 9.805 -0.312
419 2HB TYR 51 1HB TYR 51 3.009 9.540 0.488
420 HD1 TYR 51 1HD TYR 51 3.355 10.542 2.539
421 HD2 TYR 51 2HD TYR 51 0.570 12.298 -0.154
422 HE1 TYR 51 1HE TYR 51 2.768 12.205 4.245
423 HE2 TYR 51 2HE TYR 51 -0.034 13.966 1.548
424 HH TYR 51 HH TYR 51 0.161 14.534 3.718
425 H GLU 52 H GLU 52 5.453 9.946 -1.069
426 HA GLU 52 HA GLU 52 5.315 8.430 -3.533
427 1HB GLU 52 2HB GLU 52 7.381 9.580 -2.178
428 2HB GLU 52 1HB GLU 52 7.533 7.913 -1.640
429 1HG GLU 52 2HG GLU 52 8.022 7.133 -3.747
430 2HG GLU 52 1HG GLU 52 7.256 8.504 -4.548
431 H GLY 53 H GLY 53 4.705 6.313 -3.682
432 1HA GLY 53 2HA GLY 53 4.467 4.851 -1.122
433 2HA GLY 53 1HA GLY 53 3.266 4.739 -2.394
434 H GLN 54 H GLN 54 5.305 2.895 -0.955
435 HA GLN 54 HA GLN 54 6.041 1.459 -3.402
436 1HB GLN 54 2HB GLN 54 8.005 2.700 -2.334
437 2HB GLN 54 1HB GLN 54 7.862 1.559 -1.005
438 1HG GLN 54 2HG GLN 54 8.351 -0.283 -2.427
439 2HG GLN 54 1HG GLN 54 8.245 0.730 -3.866
440 1HE2 GLN 54 1HE2 GLN 54 9.719 2.854 -3.377
441 2HE2 GLN 54 2HE2 GLN 54 11.358 2.436 -3.029
442 H LEU 55 H LEU 55 5.045 -0.444 -3.381
443 HA LEU 55 HA LEU 55 4.374 -1.666 -0.802
444 1HB LEU 55 2HB LEU 55 2.739 -1.266 -2.854
445 2HB LEU 55 1HB LEU 55 3.410 -2.797 -3.375
446 HG LEU 55 HG LEU 55 1.734 -3.701 -2.203
447 1HD1 LEU 55 1HD1 LEU 55 2.303 -4.452 -0.122
448 2HD1 LEU 55 2HD1 LEU 55 2.947 -2.889 0.385
449 3HD1 LEU 55 3HD1 LEU 55 3.873 -3.910 -0.716
450 1HD2 LEU 55 1HD2 LEU 55 1.481 -0.972 -1.133
451 2HD2 LEU 55 2HD2 LEU 55 0.808 -2.266 -0.139
452 3HD2 LEU 55 3HD2 LEU 55 0.256 -2.052 -1.801
453 H ILE 56 H ILE 56 5.937 -2.933 -0.080
454 HA ILE 56 HA ILE 56 7.332 -4.671 -1.998
455 HB ILE 56 HB ILE 56 8.269 -3.875 0.759
456 1HG1 ILE 56 2HG1 ILE 56 9.989 -2.614 -0.836
457 2HG1 ILE 56 1HG1 ILE 56 8.602 -2.605 -1.917
458 1HG2 ILE 56 1HG2 ILE 56 10.006 -4.889 -1.444
459 2HG2 ILE 56 2HG2 ILE 56 9.060 -6.031 -0.488
460 3HG2 ILE 56 3HG2 ILE 56 10.240 -4.982 0.302
461 1HD1 ILE 56 1HD1 ILE 56 8.789 -0.552 -0.585
462 2HD1 ILE 56 2HD1 ILE 56 8.614 -1.511 0.885
463 3HD1 ILE 56 3HD1 ILE 56 7.287 -1.423 -0.273
464 H SER 57 H SER 57 6.628 -6.683 -1.992
465 HA SER 57 HA SER 57 5.280 -7.800 0.306
466 1HB SER 57 2HB SER 57 5.960 -9.493 -2.040
467 2HB SER 57 1HB SER 57 4.461 -9.395 -1.116
468 HG SER 57 HG SER 57 4.529 -7.112 -2.187
469 H ILE 58 H ILE 58 6.054 -9.345 1.636
470 HA ILE 58 HA ILE 58 8.874 -10.102 1.286
471 HB ILE 58 HB ILE 58 7.382 -9.855 3.896
472 1HG1 ILE 58 2HG1 ILE 58 9.554 -8.006 3.582
473 2HG1 ILE 58 1HG1 ILE 58 8.454 -7.841 2.216
474 1HG2 ILE 58 1HG2 ILE 58 9.917 -11.022 3.138
475 2HG2 ILE 58 2HG2 ILE 58 9.058 -11.097 4.677
476 3HG2 ILE 58 3HG2 ILE 58 10.124 -9.736 4.328
477 1HD1 ILE 58 1HD1 ILE 58 8.137 -6.493 4.473
478 2HD1 ILE 58 2HD1 ILE 58 7.254 -7.952 4.918
479 3HD1 ILE 58 3HD1 ILE 58 6.771 -7.029 3.496
480 H GLN 59 H GLN 59 8.980 -12.118 0.558
481 HA GLN 59 HA GLN 59 7.007 -14.095 1.323
482 1HB GLN 59 2HB GLN 59 8.298 -13.716 -0.992
483 2HB GLN 59 1HB GLN 59 9.411 -14.850 -0.245
484 1HG GLN 59 2HG GLN 59 7.954 -16.169 -1.499
485 2HG GLN 59 1HG GLN 59 7.389 -16.329 0.164
486 1HE2 GLN 59 1HE2 GLN 59 5.389 -15.615 0.707
487 2HE2 GLN 59 2HE2 GLN 59 4.252 -14.979 -0.427
488 H GLN 60 H GLN 60 8.250 -16.409 1.549
489 HA GLN 60 HA GLN 60 9.236 -16.432 4.171
490 1HB GLN 60 2HB GLN 60 9.902 -18.669 2.312
491 2HB GLN 60 1HB GLN 60 9.338 -18.729 3.976
492 1HG GLN 60 2HG GLN 60 7.706 -18.123 1.523
493 2HG GLN 60 1HG GLN 60 7.620 -19.563 2.535
494 1HE2 GLN 60 1HE2 GLN 60 7.523 -18.650 5.028
495 2HE2 GLN 60 2HE2 GLN 60 6.145 -17.641 5.280
496 H TYR 61 H TYR 61 10.859 -15.871 1.188
497 HA TYR 61 HA TYR 61 13.469 -16.380 2.431
498 1HB TYR 61 2HB TYR 61 13.945 -15.632 -0.204
499 2HB TYR 61 1HB TYR 61 13.947 -17.270 0.436
500 HD1 TYR 61 1HD TYR 61 12.022 -18.741 0.087
501 HD2 TYR 61 2HD TYR 61 12.110 -14.811 -1.537
502 HE1 TYR 61 1HE TYR 61 10.156 -19.324 -1.405
503 HE2 TYR 61 2HE TYR 61 10.244 -15.380 -3.033
504 HH TYR 61 HH TYR 61 8.234 -17.307 -2.819
505 H GLY 62 H GLY 62 11.554 -13.963 2.698
506 1HA GLY 62 2HA GLY 62 12.060 -11.779 3.343
507 2HA GLY 62 1HA GLY 62 13.686 -11.997 2.712
508 H HIS 63 H HIS 63 14.188 -11.040 0.835
509 HA HIS 63 HA HIS 63 12.554 -9.191 -0.413
510 1HB HIS 63 2HB HIS 63 14.866 -10.754 -1.586
511 2HB HIS 63 1HB HIS 63 14.152 -9.323 -2.323
512 HD2 HIS 63 2HD HIS 63 14.344 -6.982 -0.528
513 HE1 HIS 63 1HE HIS 63 17.936 -8.497 1.120
514 HE2 HIS 63 2HE HIS 63 16.380 -6.499 1.006
515 H GLN 64 H GLN 64 10.644 -9.566 -1.332
516 HA GLN 64 HA GLN 64 10.378 -11.965 -3.017
517 1HB GLN 64 2HB GLN 64 9.006 -12.372 -1.178
518 2HB GLN 64 1HB GLN 64 8.480 -10.702 -1.074
519 1HG GLN 64 2HG GLN 64 6.776 -12.359 -1.882
520 2HG GLN 64 1HG GLN 64 7.021 -10.936 -2.891
521 1HE2 GLN 64 1HE2 GLN 64 8.889 -13.924 -2.603
522 2HE2 GLN 64 2HE2 GLN 64 8.736 -14.391 -4.260
523 H GLU 65 H GLU 65 8.511 -8.948 -2.535
524 HA GLU 65 HA GLU 65 8.730 -8.442 -5.417
525 1HB GLU 65 2HB GLU 65 6.515 -9.619 -4.375
526 2HB GLU 65 1HB GLU 65 6.075 -7.922 -4.250
527 1HG GLU 65 2HG GLU 65 6.132 -7.602 -6.544
528 2HG GLU 65 1HG GLU 65 7.148 -9.017 -6.815
529 H VAL 66 H VAL 66 8.588 -6.310 -6.058
530 HA VAL 66 HA VAL 66 8.195 -4.288 -3.967
531 HB VAL 66 HB VAL 66 10.498 -4.294 -5.923
532 1HG1 VAL 66 1HG1 VAL 66 9.836 -2.046 -5.693
533 2HG1 VAL 66 2HG1 VAL 66 11.175 -2.254 -4.565
534 3HG1 VAL 66 3HG1 VAL 66 9.515 -2.232 -3.970
535 1HG2 VAL 66 1HG2 VAL 66 11.920 -4.513 -3.988
536 2HG2 VAL 66 2HG2 VAL 66 10.741 -5.826 -3.990
537 3HG2 VAL 66 3HG2 VAL 66 10.524 -4.447 -2.913
538 H THR 67 H THR 67 7.009 -2.560 -4.601
539 HA THR 67 HA THR 67 6.612 -2.102 -7.475
540 HB THR 67 HB THR 67 4.321 -2.109 -5.507
541 HG1 THR 67 1HG THR 67 3.864 -4.039 -7.089
542 1HG2 THR 67 1HG2 THR 67 2.918 -1.701 -7.312
543 2HG2 THR 67 2HG2 THR 67 4.103 -2.267 -8.490
544 3HG2 THR 67 3HG2 THR 67 4.322 -0.706 -7.698
545 H ARG 68 H ARG 68 6.573 0.005 -8.055
546 HA ARG 68 HA ARG 68 6.615 1.990 -5.880
547 1HB ARG 68 2HB ARG 68 7.931 2.033 -8.595
548 2HB ARG 68 1HB ARG 68 7.875 3.421 -7.517
549 1HG ARG 68 2HG ARG 68 8.857 1.344 -5.948
550 2HG ARG 68 1HG ARG 68 9.657 1.157 -7.512
551 1HD ARG 68 2HD ARG 68 9.513 3.919 -6.542
552 2HD ARG 68 1HD ARG 68 10.468 2.841 -5.525
553 HE ARG 68 HE ARG 68 12.029 2.660 -7.214
554 1HH1 ARG 68 1HH1 ARG 68 9.194 4.318 -8.377
555 2HH1 ARG 68 2HH1 ARG 68 9.939 4.823 -9.856
556 1HH2 ARG 68 1HH2 ARG 68 13.015 3.316 -9.159
557 2HH2 ARG 68 2HH2 ARG 68 12.112 4.253 -10.301
558 H PHE 69 H PHE 69 4.964 3.341 -5.765
559 HA PHE 69 HA PHE 69 3.720 4.419 -8.133
560 1HB PHE 69 2HB PHE 69 1.490 3.651 -7.713
561 2HB PHE 69 1HB PHE 69 2.537 2.236 -7.735
562 HD1 PHE 69 1HD PHE 69 -0.106 3.737 -6.080
563 HD2 PHE 69 2HD PHE 69 3.515 1.639 -5.303
564 HE1 PHE 69 1HE PHE 69 -0.963 3.081 -3.868
565 HE2 PHE 69 2HE PHE 69 2.663 0.977 -3.092
566 HZ PHE 69 HZ PHE 69 0.422 1.698 -2.373
567 H ASP 70 H ASP 70 2.989 6.448 -7.790
568 HA ASP 70 HA ASP 70 3.073 7.458 -5.033
569 1HB ASP 70 2HB ASP 70 2.904 9.150 -7.523
570 2HB ASP 70 1HB ASP 70 3.481 9.613 -5.924
571 H PHE 71 H PHE 71 1.292 8.365 -4.054
572 HA PHE 71 HA PHE 71 -1.090 8.897 -5.632
573 1HB PHE 71 2HB PHE 71 -2.505 7.329 -4.597
574 2HB PHE 71 1HB PHE 71 -1.046 6.421 -4.974
575 HD1 PHE 71 1HD PHE 71 0.629 6.006 -3.135
576 HD2 PHE 71 2HD PHE 71 -3.284 7.510 -2.390
577 HE1 PHE 71 1HE PHE 71 0.831 5.347 -0.772
578 HE2 PHE 71 2HE PHE 71 -3.089 6.855 -0.026
579 HZ PHE 71 HZ PHE 71 -1.031 5.771 0.785
580 H THR 72 H THR 72 -2.795 9.904 -4.453
581 HA THR 72 HA THR 72 -2.211 10.920 -1.794
582 HB THR 72 HB THR 72 -1.555 12.920 -2.578
583 HG1 THR 72 1HG THR 72 -3.610 13.516 -1.911
584 1HG2 THR 72 1HG2 THR 72 -2.968 12.831 -5.196
585 2HG2 THR 72 2HG2 THR 72 -1.593 11.755 -4.953
586 3HG2 THR 72 3HG2 THR 72 -1.387 13.498 -4.789
587 H THR 73 H THR 73 -4.171 12.107 -0.930
588 HA THR 73 HA THR 73 -6.450 10.440 -1.272
589 HB THR 73 HB THR 73 -6.121 11.378 0.889
590 HG1 THR 73 1HG THR 73 -8.228 11.486 0.961
591 1HG2 THR 73 1HG2 THR 73 -5.349 13.691 -0.546
592 2HG2 THR 73 2HG2 THR 73 -5.252 13.399 1.189
593 3HG2 THR 73 3HG2 THR 73 -6.695 14.142 0.501
594 H THR 74 H THR 74 -5.689 13.756 -2.284
595 HA THR 74 HA THR 74 -7.910 13.574 -4.200
596 HB THR 74 HB THR 74 -8.993 15.387 -3.458
597 HG1 THR 74 1HG THR 74 -6.415 16.548 -3.223
598 1HG2 THR 74 1HG2 THR 74 -8.217 14.173 -1.294
599 2HG2 THR 74 2HG2 THR 74 -8.942 15.775 -1.168
600 3HG2 THR 74 3HG2 THR 74 -7.189 15.591 -1.070
601 H SER 75 H SER 75 -7.656 15.902 -5.530
602 HA SER 75 HA SER 75 -6.476 17.015 -7.122
603 1HB SER 75 2HB SER 75 -4.717 16.879 -4.917
604 2HB SER 75 1HB SER 75 -3.757 16.480 -6.341
605 HG SER 75 HG SER 75 -5.092 18.470 -7.163
606 H THR 76 H THR 76 -4.712 16.696 -8.825
607 HA THR 76 HA THR 76 -4.762 13.872 -9.644
608 HB THR 76 HB THR 76 -5.734 14.922 -11.428
609 HG1 THR 76 1HG THR 76 -3.991 15.425 -12.998
610 1HG2 THR 76 1HG2 THR 76 -5.152 17.202 -12.207
611 2HG2 THR 76 2HG2 THR 76 -3.982 17.324 -10.892
612 3HG2 THR 76 3HG2 THR 76 -5.702 17.170 -10.531
613 H SER 77 H SER 77 -2.921 12.760 -9.999
614 HA SER 77 HA SER 77 -0.388 14.146 -10.295
615 1HB SER 77 2HB SER 77 -0.883 12.252 -7.985
616 2HB SER 77 1HB SER 77 0.681 12.934 -8.429
617 HG SER 77 HG SER 77 -0.497 15.040 -8.164
618 H THR 78 H THR 78 -2.294 11.230 -10.333
619 HA THR 78 HA THR 78 -0.420 10.082 -12.268
620 HB THR 78 HB THR 78 0.325 8.839 -10.462
621 HG1 THR 78 1HG THR 78 -0.938 6.768 -10.623
622 1HG2 THR 78 1HG2 THR 78 -1.590 7.766 -8.930
623 2HG2 THR 78 2HG2 THR 78 -2.419 9.241 -9.423
624 3HG2 THR 78 3HG2 THR 78 -0.868 9.339 -8.590
625 HA PRO 79 HA PRO 79 -4.593 9.555 -13.971
626 1HB PRO 79 2HB PRO 79 -3.885 9.627 -16.558
627 2HB PRO 79 1HB PRO 79 -3.965 11.097 -15.578
628 1HG PRO 79 2HG PRO 79 -1.579 9.484 -16.384
629 2HG PRO 79 1HG PRO 79 -1.772 11.245 -16.321
630 1HD PRO 79 2HD PRO 79 -0.531 9.753 -14.372
631 2HD PRO 79 1HD PRO 79 -1.282 11.335 -14.090
632 H GLY 80 H GLY 80 -5.150 8.083 -16.109
633 1HA GLY 80 2HA GLY 80 -4.343 5.404 -15.283
634 2HA GLY 80 1HA GLY 80 -5.655 5.804 -16.381
635 H SER 81 H SER 81 -2.106 6.063 -16.197
636 HA SER 81 HA SER 81 -2.008 5.346 -19.053
637 1HB SER 81 2HB SER 81 -0.397 7.238 -17.398
638 2HB SER 81 1HB SER 81 0.411 6.401 -18.724
639 HG SER 81 HG SER 81 -0.401 8.129 -19.713
640 H ARG 82 H ARG 82 -1.346 4.268 -15.943
641 HA ARG 82 HA ARG 82 0.619 2.317 -16.953
642 1HB ARG 82 2HB ARG 82 0.285 3.475 -14.185
643 2HB ARG 82 1HB ARG 82 1.304 2.086 -14.535
644 1HG ARG 82 2HG ARG 82 2.263 3.815 -16.348
645 2HG ARG 82 1HG ARG 82 1.736 4.946 -15.099
646 1HD ARG 82 2HD ARG 82 3.593 4.502 -13.965
647 2HD ARG 82 1HD ARG 82 3.044 2.837 -13.773
648 HE ARG 82 HE ARG 82 4.153 2.681 -16.162
649 1HH1 ARG 82 1HH1 ARG 82 5.303 4.326 -13.313
650 2HH1 ARG 82 2HH1 ARG 82 6.975 4.101 -13.701
651 1HH2 ARG 82 1HH2 ARG 82 6.352 2.377 -16.679
652 2HH2 ARG 82 2HH2 ARG 82 7.573 2.992 -15.615
653 H SER 83 H SER 83 0.538 0.523 -14.855
654 HA SER 83 HA SER 83 -2.203 -0.537 -15.071
655 1HB SER 83 2HB SER 83 0.336 -2.137 -14.700
656 2HB SER 83 1HB SER 83 -1.279 -2.767 -15.026
657 HG SER 83 HG SER 83 -0.277 -0.925 -16.845
658 H HIS 84 H HIS 84 -3.183 -1.416 -13.273
659 HA HIS 84 HA HIS 84 -1.812 -1.718 -10.775
660 1HB HIS 84 2HB HIS 84 -2.597 0.852 -11.292
661 2HB HIS 84 1HB HIS 84 -3.994 0.223 -10.425
662 HD2 HIS 84 2HD HIS 84 -0.193 0.919 -9.822
663 HE1 HIS 84 1HE HIS 84 -2.131 0.308 -6.109
664 HE2 HIS 84 2HE HIS 84 0.081 0.804 -7.245
665 H HIS 85 H HIS 85 -4.938 -1.326 -12.394
666 HA HIS 85 HA HIS 85 -5.855 -3.841 -11.336
667 1HB HIS 85 2HB HIS 85 -6.326 -1.910 -9.608
668 2HB HIS 85 1HB HIS 85 -7.653 -1.534 -10.702
669 HD2 HIS 85 2HD HIS 85 -9.179 -2.331 -8.351
670 HE1 HIS 85 1HE HIS 85 -8.652 -6.430 -9.262
671 HE2 HIS 85 2HE HIS 85 -9.817 -4.770 -7.741
672 H HIS 86 H HIS 86 -7.957 -4.469 -12.240
673 HA HIS 86 HA HIS 86 -8.175 -3.585 -14.976
674 1HB HIS 86 2HB HIS 86 -8.565 -5.992 -13.758
675 2HB HIS 86 1HB HIS 86 -10.224 -5.431 -13.938
676 HD2 HIS 86 2HD HIS 86 -10.981 -4.890 -16.656
677 HE1 HIS 86 1HE HIS 86 -7.902 -7.354 -18.192
678 HE2 HIS 86 2HE HIS 86 -9.955 -5.984 -18.772
679 H HIS 87 H HIS 87 -8.848 -1.389 -14.513
680 HA HIS 87 HA HIS 87 -11.754 -1.226 -14.137
681 1HB HIS 87 2HB HIS 87 -9.681 -0.003 -12.474
682 2HB HIS 87 1HB HIS 87 -10.849 1.162 -13.087
683 HD2 HIS 87 2HD HIS 87 -12.095 1.520 -10.664
684 HE1 HIS 87 1HE HIS 87 -13.414 -2.485 -10.290
685 HE2 HIS 87 2HE HIS 87 -13.701 -0.112 -9.443
686 H HIS 88 H HIS 88 -12.227 1.374 -14.541
687 HA HIS 88 HA HIS 88 -11.313 1.765 -17.296
688 1HB HIS 88 2HB HIS 88 -13.220 3.489 -17.295
689 2HB HIS 88 1HB HIS 88 -13.663 1.788 -17.222
690 HD2 HIS 88 2HD HIS 88 -12.849 4.318 -14.289
691 HE1 HIS 88 1HE HIS 88 -16.550 2.387 -13.599
692 HE2 HIS 88 2HE HIS 88 -14.784 3.913 -12.610
693 H HIS 89 H HIS 89 -11.655 4.397 -17.717
694 HA HIS 89 HA HIS 89 -10.560 6.386 -17.612
695 1HB HIS 89 2HB HIS 89 -11.181 5.726 -14.782
696 2HB HIS 89 1HB HIS 89 -10.029 7.028 -15.060
697 HD2 HIS 89 2HD HIS 89 -13.805 6.228 -15.604
698 HE1 HIS 89 1HE HIS 89 -13.122 10.341 -16.337
699 HE2 HIS 89 2HE HIS 89 -14.885 8.564 -15.934
Start of MODEL 31
1 1H MET 1 1HT MET 1 -11.040 -5.022 14.447
2 2H MET 1 2HT MET 1 -9.781 -5.964 15.073
3 3H MET 1 3HT MET 1 -9.436 -4.505 14.290
4 HA MET 1 HA MET 1 -9.914 -3.245 16.059
5 1HB MET 1 2HB MET 1 -11.756 -3.788 17.615
6 2HB MET 1 1HB MET 1 -12.281 -3.790 15.936
7 1HG MET 1 2HG MET 1 -12.894 -5.925 16.022
8 2HG MET 1 1HG MET 1 -11.404 -6.408 16.829
9 1HE MET 1 1HE MET 1 -12.767 -7.942 19.581
10 2HE MET 1 2HE MET 1 -12.384 -8.112 17.867
11 3HE MET 1 3HE MET 1 -14.065 -8.102 18.397
12 H ARG 2 H ARG 2 -8.704 -6.294 15.970
13 HA ARG 2 HA ARG 2 -7.742 -6.134 18.750
14 1HB ARG 2 2HB ARG 2 -8.294 -8.591 17.082
15 2HB ARG 2 1HB ARG 2 -7.482 -8.619 18.641
16 1HG ARG 2 2HG ARG 2 -9.698 -7.283 19.329
17 2HG ARG 2 1HG ARG 2 -10.334 -8.245 17.992
18 1HD ARG 2 2HD ARG 2 -10.177 -10.173 19.140
19 2HD ARG 2 1HD ARG 2 -8.637 -9.726 19.875
20 HE ARG 2 HE ARG 2 -11.245 -9.410 21.010
21 1HH1 ARG 2 1HH1 ARG 2 -8.008 -8.122 20.957
22 2HH1 ARG 2 2HH1 ARG 2 -8.123 -7.420 22.536
23 1HH2 ARG 2 1HH2 ARG 2 -11.407 -8.486 23.090
24 2HH2 ARG 2 2HH2 ARG 2 -10.054 -7.626 23.748
25 H GLY 3 H GLY 3 -6.817 -7.886 15.777
26 1HA GLY 3 2HA GLY 3 -4.764 -7.001 14.634
27 2HA GLY 3 1HA GLY 3 -4.052 -6.949 16.239
28 H SER 4 H SER 4 -5.701 -9.264 14.089
29 HA SER 4 HA SER 4 -4.513 -11.547 15.276
30 1HB SER 4 2HB SER 4 -5.228 -12.038 12.532
31 2HB SER 4 1HB SER 4 -6.024 -12.601 14.001
32 HG SER 4 HG SER 4 -7.196 -11.136 12.420
33 H ASN 5 H ASN 5 -2.335 -11.608 15.344
34 HA ASN 5 HA ASN 5 -0.827 -11.034 12.901
35 1HB ASN 5 2HB ASN 5 -0.351 -10.516 15.639
36 2HB ASN 5 1HB ASN 5 0.853 -11.699 15.135
37 1HD2 ASN 5 1HD2 ASN 5 2.520 -10.210 15.320
38 2HD2 ASN 5 2HD2 ASN 5 2.747 -8.935 14.177
39 H ALA 6 H ALA 6 -0.346 -13.366 15.549
40 HA ALA 6 HA ALA 6 0.302 -15.549 15.553
41 1HB ALA 6 1HB ALA 6 -1.977 -15.768 14.580
42 2HB ALA 6 2HB ALA 6 -0.866 -17.044 14.079
43 3HB ALA 6 3HB ALA 6 -1.250 -15.724 12.973
44 HA PRO 7 HA PRO 7 3.988 -14.689 12.931
45 1HB PRO 7 2HB PRO 7 5.021 -16.698 14.871
46 2HB PRO 7 1HB PRO 7 5.739 -15.174 14.338
47 1HG PRO 7 2HG PRO 7 4.620 -15.373 16.744
48 2HG PRO 7 1HG PRO 7 4.435 -13.902 15.771
49 1HD PRO 7 2HD PRO 7 2.479 -16.101 16.277
50 2HD PRO 7 1HD PRO 7 2.198 -14.355 16.116
51 H GLN 8 H GLN 8 4.962 -15.918 11.351
52 HA GLN 8 HA GLN 8 5.143 -17.555 9.789
53 1HB GLN 8 2HB GLN 8 4.719 -19.375 12.164
54 2HB GLN 8 1HB GLN 8 5.368 -19.859 10.603
55 1HG GLN 8 2HG GLN 8 7.291 -18.410 10.934
56 2HG GLN 8 1HG GLN 8 6.636 -17.881 12.484
57 1HE2 GLN 8 1HE2 GLN 8 6.474 -19.427 14.186
58 2HE2 GLN 8 2HE2 GLN 8 7.523 -20.799 14.225
59 HA PRO 9 HA PRO 9 0.544 -18.243 9.618
60 1HB PRO 9 2HB PRO 9 -0.086 -16.482 7.704
61 2HB PRO 9 1HB PRO 9 0.120 -15.976 9.384
62 1HG PRO 9 2HG PRO 9 2.005 -15.716 7.080
63 2HG PRO 9 1HG PRO 9 1.650 -14.558 8.373
64 1HD PRO 9 2HD PRO 9 3.847 -16.235 8.319
65 2HD PRO 9 1HD PRO 9 3.170 -15.500 9.786
66 H SER 10 H SER 10 -0.700 -18.274 7.225
67 HA SER 10 HA SER 10 0.703 -20.394 5.819
68 1HB SER 10 2HB SER 10 -2.010 -19.347 5.049
69 2HB SER 10 1HB SER 10 -1.364 -20.980 4.883
70 HG SER 10 HG SER 10 -2.929 -20.297 6.723
71 H HIS 11 H HIS 11 -0.694 -17.215 5.116
72 HA HIS 11 HA HIS 11 0.184 -17.195 2.390
73 1HB HIS 11 2HB HIS 11 -0.371 -14.608 3.726
74 2HB HIS 11 1HB HIS 11 -0.978 -15.241 2.198
75 HD2 HIS 11 2HD HIS 11 -2.992 -17.397 2.715
76 HE1 HIS 11 1HE HIS 11 -4.286 -15.323 6.169
77 HE2 HIS 11 2HE HIS 11 -4.779 -17.241 4.588
78 H ILE 12 H ILE 12 1.134 -14.435 2.410
79 HA ILE 12 HA ILE 12 3.913 -14.919 2.641
80 HB ILE 12 HB ILE 12 2.890 -13.244 1.095
81 1HG1 ILE 12 2HG1 ILE 12 4.626 -11.407 2.459
82 2HG1 ILE 12 1HG1 ILE 12 5.280 -13.038 2.607
83 1HG2 ILE 12 1HG2 ILE 12 1.469 -11.736 1.887
84 2HG2 ILE 12 2HG2 ILE 12 2.785 -10.999 2.803
85 3HG2 ILE 12 3HG2 ILE 12 1.797 -12.262 3.539
86 1HD1 ILE 12 1HD1 ILE 12 6.134 -12.801 0.585
87 2HD1 ILE 12 2HD1 ILE 12 5.286 -11.274 0.353
88 3HD1 ILE 12 3HD1 ILE 12 4.493 -12.794 -0.057
89 H SER 13 H SER 13 5.418 -13.851 4.064
90 HA SER 13 HA SER 13 4.777 -14.026 6.772
91 1HB SER 13 2HB SER 13 7.039 -12.853 5.215
92 2HB SER 13 1HB SER 13 6.895 -12.412 6.917
93 HG SER 13 HG SER 13 7.705 -14.281 7.371
94 H LYS 14 H LYS 14 5.180 -11.139 4.734
95 HA LYS 14 HA LYS 14 3.013 -9.744 5.837
96 1HB LYS 14 2HB LYS 14 4.406 -7.961 7.010
97 2HB LYS 14 1HB LYS 14 4.187 -9.482 7.859
98 1HG LYS 14 2HG LYS 14 6.387 -9.533 8.118
99 2HG LYS 14 1HG LYS 14 6.508 -9.842 6.384
100 1HD LYS 14 2HD LYS 14 7.024 -7.651 5.894
101 2HD LYS 14 1HD LYS 14 6.225 -7.031 7.340
102 1HE LYS 14 2HE LYS 14 8.860 -7.118 7.137
103 2HE LYS 14 1HE LYS 14 8.038 -7.402 8.671
104 1HZ LYS 14 1HZ LYS 14 8.330 -9.706 8.469
105 2HZ LYS 14 2HZ LYS 14 9.821 -9.045 8.019
106 3HZ LYS 14 3HZ LYS 14 8.756 -9.611 6.834
107 H TYR 15 H TYR 15 2.599 -7.805 4.759
108 HA TYR 15 HA TYR 15 4.401 -7.216 2.500
109 1HB TYR 15 2HB TYR 15 1.463 -6.865 2.958
110 2HB TYR 15 1HB TYR 15 2.275 -5.722 1.904
111 HD1 TYR 15 1HD TYR 15 3.341 -9.240 2.033
112 HD2 TYR 15 2HD TYR 15 0.944 -6.371 0.002
113 HE1 TYR 15 1HE TYR 15 3.077 -10.797 0.148
114 HE2 TYR 15 2HE TYR 15 0.674 -7.921 -1.885
115 HH TYR 15 HH TYR 15 1.853 -11.224 -1.733
116 H ILE 16 H ILE 16 5.265 -5.139 2.255
117 HA ILE 16 HA ILE 16 4.769 -3.330 4.528
118 HB ILE 16 HB ILE 16 7.291 -3.799 2.950
119 1HG1 ILE 16 2HG1 ILE 16 6.851 -5.238 4.915
120 2HG1 ILE 16 1HG1 ILE 16 8.257 -4.207 5.154
121 1HG2 ILE 16 1HG2 ILE 16 8.081 -1.892 4.634
122 2HG2 ILE 16 2HG2 ILE 16 6.407 -1.372 4.418
123 3HG2 ILE 16 3HG2 ILE 16 7.470 -1.529 3.020
124 1HD1 ILE 16 1HD1 ILE 16 6.252 -2.689 6.212
125 2HD1 ILE 16 2HD1 ILE 16 7.329 -3.745 7.127
126 3HD1 ILE 16 3HD1 ILE 16 5.742 -4.326 6.622
127 H LEU 17 H LEU 17 4.122 -1.329 4.158
128 HA LEU 17 HA LEU 17 4.151 -0.348 1.383
129 1HB LEU 17 2HB LEU 17 1.894 -0.979 2.686
130 2HB LEU 17 1HB LEU 17 2.107 0.653 3.287
131 HG LEU 17 HG LEU 17 2.466 0.746 0.475
132 1HD1 LEU 17 1HD1 LEU 17 1.247 -1.432 0.497
133 2HD1 LEU 17 2HD1 LEU 17 0.418 -0.143 -0.378
134 3HD1 LEU 17 3HD1 LEU 17 -0.119 -0.598 1.239
135 1HD2 LEU 17 1HD2 LEU 17 1.673 2.589 1.814
136 2HD2 LEU 17 2HD2 LEU 17 0.236 1.678 2.280
137 3HD2 LEU 17 3HD2 LEU 17 0.457 2.182 0.604
138 H ARG 18 H ARG 18 5.566 1.260 1.238
139 HA ARG 18 HA ARG 18 5.947 2.988 3.580
140 1HB ARG 18 2HB ARG 18 7.820 2.460 1.268
141 2HB ARG 18 1HB ARG 18 8.153 3.533 2.620
142 1HG ARG 18 2HG ARG 18 8.808 1.852 3.918
143 2HG ARG 18 1HG ARG 18 7.403 0.871 3.494
144 1HD ARG 18 2HD ARG 18 9.006 -0.437 2.559
145 2HD ARG 18 1HD ARG 18 8.757 0.664 1.205
146 HE ARG 18 HE ARG 18 10.880 1.169 3.176
147 1HH1 ARG 18 1HH1 ARG 18 9.848 0.578 -0.101
148 2HH1 ARG 18 2HH1 ARG 18 11.392 0.952 -0.790
149 1HH2 ARG 18 1HH2 ARG 18 12.915 1.665 2.274
150 2HH2 ARG 18 2HH2 ARG 18 13.135 1.571 0.559
151 H TRP 19 H TRP 19 5.407 5.075 3.461
152 HA TRP 19 HA TRP 19 5.252 6.325 0.834
153 1HB TRP 19 2HB TRP 19 3.029 6.960 0.913
154 2HB TRP 19 1HB TRP 19 2.972 5.339 1.590
155 HD1 TRP 19 HD TRP 19 2.572 9.016 2.577
156 HE1 TRP 19 1HE TRP 19 1.390 9.124 4.862
157 HE3 TRP 19 3HE TRP 19 2.588 4.037 3.738
158 HZ2 TRP 19 2HZ TRP 19 0.570 7.335 6.886
159 HZ3 TRP 19 3HZ TRP 19 1.583 3.317 5.865
160 HH2 TRP 19 HH TRP 19 0.596 4.934 7.407
161 H ARG 20 H ARG 20 5.667 8.444 0.767
162 HA ARG 20 HA ARG 20 5.796 10.031 3.183
163 1HB ARG 20 2HB ARG 20 7.989 9.746 3.533
164 2HB ARG 20 1HB ARG 20 8.129 8.746 2.098
165 1HG ARG 20 2HG ARG 20 8.031 11.683 1.706
166 2HG ARG 20 1HG ARG 20 9.495 10.996 2.412
167 1HD ARG 20 2HD ARG 20 9.059 9.283 0.357
168 2HD ARG 20 1HD ARG 20 8.429 10.784 -0.321
169 HE ARG 20 HE ARG 20 11.194 10.302 0.543
170 1HH1 ARG 20 1HH1 ARG 20 8.823 12.287 -1.064
171 2HH1 ARG 20 2HH1 ARG 20 9.999 13.321 -1.801
172 1HH2 ARG 20 1HH2 ARG 20 12.752 11.659 -0.427
173 2HH2 ARG 20 2HH2 ARG 20 12.233 12.965 -1.439
174 HA PRO 21 HA PRO 21 4.434 13.172 0.411
175 1HB PRO 21 2HB PRO 21 6.184 15.004 1.975
176 2HB PRO 21 1HB PRO 21 4.461 15.137 1.605
177 1HG PRO 21 2HG PRO 21 5.246 14.428 4.037
178 2HG PRO 21 1HG PRO 21 3.855 13.633 3.272
179 1HD PRO 21 2HD PRO 21 6.658 12.637 3.597
180 2HD PRO 21 1HD PRO 21 5.125 11.759 3.767
181 H LYS 22 H LYS 22 5.182 13.240 -1.576
182 HA LYS 22 HA LYS 22 7.850 13.043 -2.380
183 1HB LYS 22 2HB LYS 22 5.317 13.884 -3.722
184 2HB LYS 22 1HB LYS 22 6.831 14.124 -4.565
185 1HG LYS 22 2HG LYS 22 6.067 11.461 -3.421
186 2HG LYS 22 1HG LYS 22 5.563 11.973 -5.033
187 1HD LYS 22 2HD LYS 22 8.444 12.064 -4.197
188 2HD LYS 22 1HD LYS 22 7.715 10.578 -4.811
189 1HE LYS 22 2HE LYS 22 7.546 11.373 -6.926
190 2HE LYS 22 1HE LYS 22 7.251 13.028 -6.396
191 1HZ LYS 22 1HZ LYS 22 9.337 13.310 -7.158
192 2HZ LYS 22 2HZ LYS 22 9.764 11.684 -6.969
193 3HZ LYS 22 3HZ LYS 22 9.774 12.721 -5.633
194 H ASN 23 H ASN 23 6.129 15.737 -1.180
195 HA ASN 23 HA ASN 23 7.844 17.712 -2.432
196 1HB ASN 23 2HB ASN 23 6.512 19.352 -1.178
197 2HB ASN 23 1HB ASN 23 5.481 18.242 -2.074
198 1HD2 ASN 23 1HD2 ASN 23 3.905 17.269 -1.014
199 2HD2 ASN 23 2HD2 ASN 23 3.746 17.184 0.704
200 H SER 24 H SER 24 7.823 15.814 0.404
201 HA SER 24 HA SER 24 9.455 17.607 1.977
202 1HB SER 24 2HB SER 24 7.796 15.433 2.550
203 2HB SER 24 1HB SER 24 9.423 14.855 2.905
204 HG SER 24 HG SER 24 8.215 17.216 3.919
205 H VAL 25 H VAL 25 11.272 15.894 3.147
206 HA VAL 25 HA VAL 25 13.166 15.473 0.940
207 HB VAL 25 HB VAL 25 14.909 15.477 2.736
208 1HG1 VAL 25 1HG1 VAL 25 13.426 17.662 1.670
209 2HG1 VAL 25 2HG1 VAL 25 15.130 17.597 2.122
210 3HG1 VAL 25 3HG1 VAL 25 13.919 18.063 3.316
211 1HG2 VAL 25 1HG2 VAL 25 12.825 15.075 4.448
212 2HG2 VAL 25 2HG2 VAL 25 13.147 16.794 4.670
213 3HG2 VAL 25 3HG2 VAL 25 14.435 15.616 4.924
214 H GLY 26 H GLY 26 11.469 13.867 3.506
215 1HA GLY 26 2HA GLY 26 11.851 11.297 2.487
216 2HA GLY 26 1HA GLY 26 13.076 11.551 3.722
217 H ARG 27 H ARG 27 12.475 10.521 5.501
218 HA ARG 27 HA ARG 27 11.243 9.775 7.258
219 1HB ARG 27 2HB ARG 27 10.153 12.463 6.669
220 2HB ARG 27 1HB ARG 27 9.158 11.435 7.691
221 1HG ARG 27 2HG ARG 27 10.507 12.733 9.132
222 2HG ARG 27 1HG ARG 27 11.179 11.102 9.147
223 1HD ARG 27 2HD ARG 27 12.726 11.983 7.266
224 2HD ARG 27 1HD ARG 27 12.253 13.578 7.851
225 HE ARG 27 HE ARG 27 13.581 13.262 9.685
226 1HH1 ARG 27 1HH1 ARG 27 13.054 10.187 8.128
227 2HH1 ARG 27 2HH1 ARG 27 14.193 9.344 9.124
228 1HH2 ARG 27 1HH2 ARG 27 15.084 12.159 10.996
229 2HH2 ARG 27 2HH2 ARG 27 15.346 10.464 10.755
230 H TRP 28 H TRP 28 10.722 8.149 5.426
231 HA TRP 28 HA TRP 28 8.165 8.089 4.252
232 1HB TRP 28 2HB TRP 28 10.177 5.932 4.873
233 2HB TRP 28 1HB TRP 28 8.648 5.580 4.077
234 HD1 TRP 28 HD TRP 28 11.959 7.442 3.487
235 HE1 TRP 28 1HE TRP 28 12.277 7.746 0.951
236 HE3 TRP 28 3HE TRP 28 7.426 5.703 1.884
237 HZ2 TRP 28 2HZ TRP 28 10.803 7.306 -1.414
238 HZ3 TRP 28 3HZ TRP 28 6.958 5.681 -0.534
239 HH2 TRP 28 HH TRP 28 8.615 6.460 -2.146
240 H LYS 29 H LYS 29 6.837 5.900 4.751
241 HA LYS 29 HA LYS 29 6.334 5.772 7.643
242 1HB LYS 29 2HB LYS 29 4.394 6.389 5.445
243 2HB LYS 29 1HB LYS 29 3.836 5.503 6.858
244 1HG LYS 29 2HG LYS 29 5.376 7.991 7.324
245 2HG LYS 29 1HG LYS 29 3.731 8.144 6.706
246 1HD LYS 29 2HD LYS 29 2.810 7.482 8.651
247 2HD LYS 29 1HD LYS 29 4.041 6.246 8.924
248 1HE LYS 29 2HE LYS 29 3.972 8.176 10.575
249 2HE LYS 29 1HE LYS 29 5.539 7.793 9.863
250 1HZ LYS 29 1HZ LYS 29 4.631 10.245 9.969
251 2HZ LYS 29 2HZ LYS 29 3.887 9.796 8.517
252 3HZ LYS 29 3HZ LYS 29 5.570 9.707 8.668
253 H GLU 30 H GLU 30 5.411 3.748 8.351
254 HA GLU 30 HA GLU 30 5.747 1.605 6.355
255 1HB GLU 30 2HB GLU 30 6.162 1.125 9.281
256 2HB GLU 30 1HB GLU 30 6.794 0.228 7.909
257 1HG GLU 30 2HG GLU 30 8.684 1.356 8.056
258 2HG GLU 30 1HG GLU 30 7.816 2.855 7.731
259 H ALA 31 H ALA 31 4.207 0.158 6.101
260 HA ALA 31 HA ALA 31 2.096 -0.163 8.102
261 1HB ALA 31 1HB ALA 31 1.638 1.442 5.955
262 2HB ALA 31 2HB ALA 31 0.388 0.529 6.800
263 3HB ALA 31 3HB ALA 31 1.114 -0.123 5.332
264 H THR 32 H THR 32 2.013 -2.298 8.532
265 HA THR 32 HA THR 32 2.871 -4.148 6.422
266 HB THR 32 HB THR 32 2.688 -4.668 9.387
267 HG1 THR 32 1HG THR 32 4.388 -3.262 8.985
268 1HG2 THR 32 1HG2 THR 32 4.076 -6.666 8.778
269 2HG2 THR 32 2HG2 THR 32 3.751 -6.302 7.082
270 3HG2 THR 32 3HG2 THR 32 2.421 -6.716 8.166
271 H ILE 33 H ILE 33 1.524 -5.481 5.493
272 HA ILE 33 HA ILE 33 -0.870 -6.408 6.901
273 HB ILE 33 HB ILE 33 -1.324 -5.875 4.041
274 1HG1 ILE 33 2HG1 ILE 33 -2.003 -3.413 5.075
275 2HG1 ILE 33 1HG1 ILE 33 -0.441 -3.723 5.824
276 1HG2 ILE 33 1HG2 ILE 33 -3.116 -6.717 5.338
277 2HG2 ILE 33 2HG2 ILE 33 -3.498 -5.032 4.982
278 3HG2 ILE 33 3HG2 ILE 33 -2.893 -5.483 6.577
279 1HD1 ILE 33 1HD1 ILE 33 -0.994 -2.806 3.212
280 2HD1 ILE 33 2HD1 ILE 33 -0.257 -4.403 3.077
281 3HD1 ILE 33 3HD1 ILE 33 0.573 -3.120 3.959
282 HA PRO 34 HA PRO 34 1.185 -9.994 4.989
283 1HB PRO 34 2HB PRO 34 -0.083 -11.877 6.470
284 2HB PRO 34 1HB PRO 34 1.302 -10.957 7.067
285 1HG PRO 34 2HG PRO 34 -1.615 -10.525 7.570
286 2HG PRO 34 1HG PRO 34 -0.257 -10.462 8.710
287 1HD PRO 34 2HD PRO 34 -1.379 -8.232 7.660
288 2HD PRO 34 1HD PRO 34 0.345 -8.330 8.070
289 H GLY 35 H GLY 35 0.387 -10.188 2.960
290 1HA GLY 35 2HA GLY 35 -0.925 -11.020 1.266
291 2HA GLY 35 1HA GLY 35 -1.771 -11.961 2.484
292 H HIS 36 H HIS 36 -2.134 -9.623 0.198
293 HA HIS 36 HA HIS 36 -3.735 -7.644 1.184
294 1HB HIS 36 2HB HIS 36 -5.031 -8.029 -1.112
295 2HB HIS 36 1HB HIS 36 -3.405 -7.357 -1.063
296 HD2 HIS 36 2HD HIS 36 -4.623 -11.121 -1.141
297 HE1 HIS 36 1HE HIS 36 -1.671 -10.453 -4.098
298 HE2 HIS 36 2HE HIS 36 -3.061 -12.206 -2.905
299 H LEU 37 H LEU 37 -5.207 -7.979 2.721
300 HA LEU 37 HA LEU 37 -6.994 -10.242 2.669
301 1HB LEU 37 2HB LEU 37 -7.344 -7.907 4.503
302 2HB LEU 37 1HB LEU 37 -7.643 -9.608 4.805
303 HG LEU 37 HG LEU 37 -4.823 -8.851 4.315
304 1HD1 LEU 37 1HD1 LEU 37 -4.468 -8.012 6.539
305 2HD1 LEU 37 2HD1 LEU 37 -6.183 -8.180 6.916
306 3HD1 LEU 37 3HD1 LEU 37 -5.656 -6.998 5.719
307 1HD2 LEU 37 1HD2 LEU 37 -6.367 -10.936 5.620
308 2HD2 LEU 37 2HD2 LEU 37 -5.032 -10.352 6.612
309 3HD2 LEU 37 3HD2 LEU 37 -4.721 -10.970 4.990
310 H ASN 38 H ASN 38 -7.104 -6.837 1.917
311 HA ASN 38 HA ASN 38 -9.299 -7.021 0.200
312 1HB ASN 38 2HB ASN 38 -11.110 -6.097 1.424
313 2HB ASN 38 1HB ASN 38 -10.457 -7.369 2.451
314 1HD2 ASN 38 1HD2 ASN 38 -8.237 -6.083 3.477
315 2HD2 ASN 38 2HD2 ASN 38 -8.755 -4.787 4.495
316 H SER 39 H SER 39 -10.402 -4.417 0.618
317 HA SER 39 HA SER 39 -8.273 -2.847 -0.503
318 1HB SER 39 2HB SER 39 -11.192 -2.426 0.005
319 2HB SER 39 1HB SER 39 -10.170 -1.019 -0.288
320 HG SER 39 HG SER 39 -10.748 -1.597 -2.281
321 H TYR 40 H TYR 40 -6.728 -2.174 0.851
322 HA TYR 40 HA TYR 40 -7.451 -1.250 3.525
323 1HB TYR 40 2HB TYR 40 -5.527 -2.843 3.142
324 2HB TYR 40 1HB TYR 40 -4.675 -1.520 2.355
325 HD1 TYR 40 1HD TYR 40 -5.694 -2.973 5.517
326 HD2 TYR 40 2HD TYR 40 -4.006 0.475 3.681
327 HE1 TYR 40 1HE TYR 40 -4.874 -2.214 7.706
328 HE2 TYR 40 2HE TYR 40 -3.181 1.242 5.865
329 HH TYR 40 HH TYR 40 -3.376 0.936 8.116
330 H THR 41 H THR 41 -7.952 0.801 3.781
331 HA THR 41 HA THR 41 -6.858 2.807 1.951
332 HB THR 41 HB THR 41 -9.327 2.716 2.309
333 HG1 THR 41 1HG THR 41 -8.461 5.171 3.363
334 1HG2 THR 41 1HG2 THR 41 -8.473 2.930 5.097
335 2HG2 THR 41 2HG2 THR 41 -10.002 2.365 4.422
336 3HG2 THR 41 3HG2 THR 41 -9.726 4.090 4.655
337 H ILE 42 H ILE 42 -5.821 4.675 2.681
338 HA ILE 42 HA ILE 42 -4.580 4.389 5.321
339 HB ILE 42 HB ILE 42 -3.799 6.081 2.944
340 1HG1 ILE 42 2HG1 ILE 42 -1.837 4.193 3.933
341 2HG1 ILE 42 1HG1 ILE 42 -3.344 3.380 3.522
342 1HG2 ILE 42 1HG2 ILE 42 -2.441 7.287 4.223
343 2HG2 ILE 42 2HG2 ILE 42 -1.776 5.839 4.979
344 3HG2 ILE 42 3HG2 ILE 42 -3.238 6.581 5.629
345 1HD1 ILE 42 1HD1 ILE 42 -1.328 4.586 1.797
346 2HD1 ILE 42 2HD1 ILE 42 -2.986 5.017 1.376
347 3HD1 ILE 42 3HD1 ILE 42 -2.509 3.321 1.459
348 H LYS 43 H LYS 43 -5.443 5.474 6.916
349 HA LYS 43 HA LYS 43 -7.070 6.905 7.858
350 1HB LYS 43 2HB LYS 43 -4.920 8.908 7.296
351 2HB LYS 43 1HB LYS 43 -5.820 8.628 8.780
352 1HG LYS 43 2HG LYS 43 -3.821 6.674 7.675
353 2HG LYS 43 1HG LYS 43 -3.407 7.947 8.824
354 1HD LYS 43 2HD LYS 43 -3.902 6.434 10.404
355 2HD LYS 43 1HD LYS 43 -5.588 6.775 10.003
356 1HE LYS 43 2HE LYS 43 -5.863 4.813 8.898
357 2HE LYS 43 1HE LYS 43 -4.202 4.790 8.308
358 1HZ LYS 43 1HZ LYS 43 -5.120 3.188 10.232
359 2HZ LYS 43 2HZ LYS 43 -4.510 4.455 11.171
360 3HZ LYS 43 3HZ LYS 43 -3.496 3.644 10.088
361 H GLY 44 H GLY 44 -5.607 9.524 6.077
362 1HA GLY 44 2HA GLY 44 -7.496 9.830 4.028
363 2HA GLY 44 1HA GLY 44 -8.077 10.706 5.436
364 H LEU 45 H LEU 45 -6.034 10.777 2.735
365 HA LEU 45 HA LEU 45 -4.196 12.759 3.656
366 1HB LEU 45 2HB LEU 45 -4.908 12.074 0.794
367 2HB LEU 45 1HB LEU 45 -3.463 12.896 1.355
368 HG LEU 45 HG LEU 45 -2.642 10.785 0.985
369 1HD1 LEU 45 1HD1 LEU 45 -2.525 11.521 3.473
370 2HD1 LEU 45 2HD1 LEU 45 -2.042 9.887 3.018
371 3HD1 LEU 45 3HD1 LEU 45 -3.629 10.169 3.734
372 1HD2 LEU 45 1HD2 LEU 45 -4.442 9.550 0.253
373 2HD2 LEU 45 2HD2 LEU 45 -5.385 9.860 1.711
374 3HD2 LEU 45 3HD2 LEU 45 -4.032 8.730 1.759
375 H LYS 46 H LYS 46 -4.080 14.773 1.922
376 HA LYS 46 HA LYS 46 -6.712 15.966 1.600
377 1HB LYS 46 2HB LYS 46 -5.269 18.045 2.778
378 2HB LYS 46 1HB LYS 46 -6.622 17.171 3.478
379 1HG LYS 46 2HG LYS 46 -5.304 15.971 4.875
380 2HG LYS 46 1HG LYS 46 -3.940 15.945 3.754
381 1HD LYS 46 2HD LYS 46 -3.339 18.173 4.322
382 2HD LYS 46 1HD LYS 46 -4.845 18.416 5.207
383 1HE LYS 46 2HE LYS 46 -2.644 16.502 5.967
384 2HE LYS 46 1HE LYS 46 -2.956 18.065 6.722
385 1HZ LYS 46 1HZ LYS 46 -4.352 15.541 7.039
386 2HZ LYS 46 2HZ LYS 46 -5.344 16.908 6.949
387 3HZ LYS 46 3HZ LYS 46 -4.146 16.811 8.139
388 HA PRO 47 HA PRO 47 -5.126 17.931 -1.990
389 1HB PRO 47 2HB PRO 47 -6.010 20.562 -0.924
390 2HB PRO 47 1HB PRO 47 -6.417 19.770 -2.450
391 1HG PRO 47 2HG PRO 47 -8.183 19.883 -0.458
392 2HG PRO 47 1HG PRO 47 -8.045 18.439 -1.479
393 1HD PRO 47 2HD PRO 47 -7.051 18.901 1.300
394 2HD PRO 47 1HD PRO 47 -7.739 17.433 0.576
395 H GLY 48 H GLY 48 -3.367 19.057 -2.779
396 1HA GLY 48 2HA GLY 48 -1.427 20.308 -2.751
397 2HA GLY 48 1HA GLY 48 -1.887 20.913 -1.169
398 H VAL 49 H VAL 49 -2.080 17.665 -0.873
399 HA VAL 49 HA VAL 49 0.743 17.445 -0.049
400 HB VAL 49 HB VAL 49 -1.280 15.737 1.293
401 1HG1 VAL 49 1HG1 VAL 49 0.210 15.951 3.161
402 2HG1 VAL 49 2HG1 VAL 49 1.101 17.246 2.360
403 3HG1 VAL 49 3HG1 VAL 49 1.163 15.603 1.718
404 1HG2 VAL 49 1HG2 VAL 49 -1.897 18.376 1.143
405 2HG2 VAL 49 2HG2 VAL 49 -0.903 18.341 2.600
406 3HG2 VAL 49 3HG2 VAL 49 -2.337 17.321 2.487
407 H VAL 50 H VAL 50 1.793 16.092 -1.354
408 HA VAL 50 HA VAL 50 0.360 13.903 -2.644
409 HB VAL 50 HB VAL 50 2.992 15.221 -3.135
410 1HG1 VAL 50 1HG1 VAL 50 2.354 12.365 -3.870
411 2HG1 VAL 50 2HG1 VAL 50 3.718 12.942 -2.917
412 3HG1 VAL 50 3HG1 VAL 50 3.621 13.318 -4.639
413 1HG2 VAL 50 1HG2 VAL 50 0.814 14.150 -4.901
414 2HG2 VAL 50 2HG2 VAL 50 2.246 15.032 -5.452
415 3HG2 VAL 50 3HG2 VAL 50 1.043 15.841 -4.440
416 H TYR 51 H TYR 51 0.950 11.749 -2.467
417 HA TYR 51 HA TYR 51 2.912 11.093 -0.394
418 1HB TYR 51 2HB TYR 51 0.018 10.267 -0.361
419 2HB TYR 51 1HB TYR 51 1.256 9.341 0.484
420 HD1 TYR 51 1HD TYR 51 2.808 10.778 2.074
421 HD2 TYR 51 2HD TYR 51 -1.071 11.951 0.784
422 HE1 TYR 51 1HE TYR 51 2.643 12.307 3.992
423 HE2 TYR 51 2HE TYR 51 -1.252 13.483 2.699
424 HH TYR 51 HH TYR 51 -0.253 13.702 4.982
425 H GLU 52 H GLU 52 4.348 9.955 -1.496
426 HA GLU 52 HA GLU 52 3.510 8.175 -3.635
427 1HB GLU 52 2HB GLU 52 5.427 9.303 -4.282
428 2HB GLU 52 1HB GLU 52 6.101 9.304 -2.660
429 1HG GLU 52 2HG GLU 52 7.493 7.849 -3.734
430 2HG GLU 52 1HG GLU 52 6.311 6.741 -3.040
431 H GLY 53 H GLY 53 3.280 6.027 -3.403
432 1HA GLY 53 2HA GLY 53 4.217 4.850 -0.864
433 2HA GLY 53 1HA GLY 53 2.731 4.375 -1.669
434 H GLN 54 H GLN 54 5.066 2.821 -0.815
435 HA GLN 54 HA GLN 54 5.602 1.492 -3.371
436 1HB GLN 54 2HB GLN 54 7.560 2.529 -1.399
437 2HB GLN 54 1HB GLN 54 7.875 0.917 -2.025
438 1HG GLN 54 2HG GLN 54 7.281 2.361 -4.287
439 2HG GLN 54 1HG GLN 54 8.182 3.508 -3.297
440 1HE2 GLN 54 1HE2 GLN 54 10.062 3.542 -4.401
441 2HE2 GLN 54 2HE2 GLN 54 11.091 2.171 -4.615
442 H LEU 55 H LEU 55 4.716 -0.479 -3.232
443 HA LEU 55 HA LEU 55 4.462 -1.701 -0.583
444 1HB LEU 55 2HB LEU 55 2.399 -1.561 -1.810
445 2HB LEU 55 1HB LEU 55 3.126 -2.321 -3.213
446 HG LEU 55 HG LEU 55 3.302 -4.435 -2.037
447 1HD1 LEU 55 1HD1 LEU 55 2.087 -4.543 0.238
448 2HD1 LEU 55 2HD1 LEU 55 2.394 -2.807 0.306
449 3HD1 LEU 55 3HD1 LEU 55 3.742 -3.936 0.186
450 1HD2 LEU 55 1HD2 LEU 55 0.732 -4.581 -1.386
451 2HD2 LEU 55 2HD2 LEU 55 1.275 -4.471 -3.062
452 3HD2 LEU 55 3HD2 LEU 55 0.700 -3.029 -2.224
453 H ILE 56 H ILE 56 6.156 -2.862 -0.043
454 HA ILE 56 HA ILE 56 7.370 -4.624 -2.055
455 HB ILE 56 HB ILE 56 8.560 -3.409 0.442
456 1HG1 ILE 56 2HG1 ILE 56 10.241 -2.630 -1.418
457 2HG1 ILE 56 1HG1 ILE 56 8.900 -2.957 -2.513
458 1HG2 ILE 56 1HG2 ILE 56 9.835 -5.349 -1.485
459 2HG2 ILE 56 2HG2 ILE 56 9.315 -5.726 0.157
460 3HG2 ILE 56 3HG2 ILE 56 10.622 -4.574 -0.111
461 1HD1 ILE 56 1HD1 ILE 56 8.237 -1.310 -0.166
462 2HD1 ILE 56 2HD1 ILE 56 7.763 -1.132 -1.855
463 3HD1 ILE 56 3HD1 ILE 56 9.350 -0.579 -1.323
464 H SER 57 H SER 57 6.760 -6.677 -1.848
465 HA SER 57 HA SER 57 5.664 -7.679 0.625
466 1HB SER 57 2HB SER 57 6.222 -9.244 -1.900
467 2HB SER 57 1HB SER 57 5.086 -9.644 -0.612
468 HG SER 57 HG SER 57 3.862 -8.737 -2.174
469 H ILE 58 H ILE 58 6.615 -8.952 2.051
470 HA ILE 58 HA ILE 58 9.335 -9.919 1.502
471 HB ILE 58 HB ILE 58 8.283 -8.790 4.091
472 1HG1 ILE 58 2HG1 ILE 58 10.758 -7.678 3.225
473 2HG1 ILE 58 1HG1 ILE 58 9.654 -7.665 1.855
474 1HG2 ILE 58 1HG2 ILE 58 10.147 -10.847 3.774
475 2HG2 ILE 58 2HG2 ILE 58 9.858 -9.883 5.224
476 3HG2 ILE 58 3HG2 ILE 58 11.100 -9.393 4.073
477 1HD1 ILE 58 1HD1 ILE 58 9.646 -6.069 4.291
478 2HD1 ILE 58 2HD1 ILE 58 8.071 -6.738 3.867
479 3HD1 ILE 58 3HD1 ILE 58 8.944 -5.737 2.708
480 H GLN 59 H GLN 59 9.779 -12.014 1.919
481 HA GLN 59 HA GLN 59 7.694 -13.587 3.286
482 1HB GLN 59 2HB GLN 59 8.512 -14.040 0.774
483 2HB GLN 59 1HB GLN 59 9.727 -14.980 1.626
484 1HG GLN 59 2HG GLN 59 7.781 -16.077 2.845
485 2HG GLN 59 1HG GLN 59 6.752 -15.343 1.617
486 1HE2 GLN 59 1HE2 GLN 59 7.785 -15.679 -0.684
487 2HE2 GLN 59 2HE2 GLN 59 8.193 -17.320 -1.037
488 H GLN 60 H GLN 60 8.958 -15.834 3.957
489 HA GLN 60 HA GLN 60 10.426 -15.122 6.240
490 1HB GLN 60 2HB GLN 60 10.841 -17.509 6.514
491 2HB GLN 60 1HB GLN 60 9.172 -17.227 6.040
492 1HG GLN 60 2HG GLN 60 9.390 -18.416 4.174
493 2HG GLN 60 1HG GLN 60 10.926 -17.652 3.764
494 1HE2 GLN 60 1HE2 GLN 60 9.631 -19.907 6.182
495 2HE2 GLN 60 2HE2 GLN 60 10.952 -21.017 6.103
496 H TYR 61 H TYR 61 11.391 -15.448 2.981
497 HA TYR 61 HA TYR 61 14.212 -15.719 3.741
498 1HB TYR 61 2HB TYR 61 14.312 -17.115 1.999
499 2HB TYR 61 1HB TYR 61 12.645 -16.761 1.583
500 HD1 TYR 61 1HD TYR 61 16.155 -16.022 0.847
501 HD2 TYR 61 2HD TYR 61 12.116 -15.173 -0.184
502 HE1 TYR 61 1HE TYR 61 16.914 -14.981 -1.248
503 HE2 TYR 61 2HE TYR 61 12.865 -14.127 -2.278
504 HH TYR 61 HH TYR 61 14.593 -13.680 -3.598
505 H GLY 62 H GLY 62 11.974 -13.375 3.109
506 1HA GLY 62 2HA GLY 62 12.254 -11.084 2.983
507 2HA GLY 62 1HA GLY 62 13.989 -11.339 2.912
508 H HIS 63 H HIS 63 12.399 -9.467 1.382
509 HA HIS 63 HA HIS 63 12.211 -8.656 -0.736
510 1HB HIS 63 2HB HIS 63 14.706 -9.376 -0.598
511 2HB HIS 63 1HB HIS 63 14.216 -10.697 -1.655
512 HD2 HIS 63 2HD HIS 63 15.653 -9.690 -3.793
513 HE1 HIS 63 1HE HIS 63 13.315 -6.186 -4.193
514 HE2 HIS 63 2HE HIS 63 14.979 -7.718 -5.337
515 H GLN 64 H GLN 64 10.160 -9.229 -1.334
516 HA GLN 64 HA GLN 64 9.915 -11.752 -2.821
517 1HB GLN 64 2HB GLN 64 8.230 -10.627 -0.704
518 2HB GLN 64 1HB GLN 64 7.353 -11.240 -2.098
519 1HG GLN 64 2HG GLN 64 7.967 -12.766 -0.041
520 2HG GLN 64 1HG GLN 64 7.923 -13.393 -1.689
521 1HE2 GLN 64 1HE2 GLN 64 9.764 -14.126 -2.607
522 2HE2 GLN 64 2HE2 GLN 64 11.292 -14.179 -1.805
523 H GLU 65 H GLU 65 8.155 -8.677 -2.430
524 HA GLU 65 HA GLU 65 8.015 -8.469 -5.359
525 1HB GLU 65 2HB GLU 65 5.900 -9.326 -3.964
526 2HB GLU 65 1HB GLU 65 5.656 -7.596 -3.781
527 1HG GLU 65 2HG GLU 65 6.040 -7.616 -6.393
528 2HG GLU 65 1HG GLU 65 5.507 -9.287 -6.216
529 H VAL 66 H VAL 66 7.998 -6.393 -6.207
530 HA VAL 66 HA VAL 66 8.122 -4.162 -4.300
531 HB VAL 66 HB VAL 66 10.053 -4.495 -6.597
532 1HG1 VAL 66 1HG1 VAL 66 9.601 -2.184 -6.308
533 2HG1 VAL 66 2HG1 VAL 66 11.139 -2.495 -5.501
534 3HG1 VAL 66 3HG1 VAL 66 9.663 -2.323 -4.551
535 1HG2 VAL 66 1HG2 VAL 66 10.890 -4.383 -3.739
536 2HG2 VAL 66 2HG2 VAL 66 11.700 -5.122 -5.120
537 3HG2 VAL 66 3HG2 VAL 66 10.295 -5.906 -4.399
538 H THR 67 H THR 67 6.524 -2.835 -4.810
539 HA THR 67 HA THR 67 6.039 -2.227 -7.646
540 HB THR 67 HB THR 67 3.891 -2.730 -5.577
541 HG1 THR 67 1HG THR 67 4.428 -4.135 -7.995
542 1HG2 THR 67 1HG2 THR 67 2.525 -2.583 -7.851
543 2HG2 THR 67 2HG2 THR 67 3.850 -1.506 -8.286
544 3HG2 THR 67 3HG2 THR 67 2.857 -1.155 -6.872
545 H ARG 68 H ARG 68 6.039 -0.113 -8.063
546 HA ARG 68 HA ARG 68 5.880 1.743 -5.792
547 1HB ARG 68 2HB ARG 68 6.830 2.521 -8.526
548 2HB ARG 68 1HB ARG 68 7.235 3.231 -6.968
549 1HG ARG 68 2HG ARG 68 8.676 1.448 -6.418
550 2HG ARG 68 1HG ARG 68 8.066 0.457 -7.742
551 1HD ARG 68 2HD ARG 68 9.360 3.094 -8.303
552 2HD ARG 68 1HD ARG 68 10.349 1.666 -8.001
553 HE ARG 68 HE ARG 68 8.282 1.412 -10.030
554 1HH1 ARG 68 1HH1 ARG 68 11.643 1.977 -9.296
555 2HH1 ARG 68 2HH1 ARG 68 12.191 1.569 -10.889
556 1HH2 ARG 68 1HH2 ARG 68 8.997 0.876 -12.128
557 2HH2 ARG 68 2HH2 ARG 68 10.687 0.945 -12.497
558 H PHE 69 H PHE 69 4.296 3.184 -5.628
559 HA PHE 69 HA PHE 69 2.735 4.010 -7.916
560 1HB PHE 69 2HB PHE 69 0.607 3.218 -7.127
561 2HB PHE 69 1HB PHE 69 1.706 1.845 -7.220
562 HD1 PHE 69 1HD PHE 69 2.981 1.307 -4.973
563 HD2 PHE 69 2HD PHE 69 -0.662 3.491 -5.239
564 HE1 PHE 69 1HE PHE 69 2.491 0.767 -2.624
565 HE2 PHE 69 2HE PHE 69 -1.158 2.955 -2.889
566 HZ PHE 69 HZ PHE 69 0.419 1.592 -1.578
567 H ASP 70 H ASP 70 2.066 6.043 -7.699
568 HA ASP 70 HA ASP 70 2.371 7.331 -5.085
569 1HB ASP 70 2HB ASP 70 1.616 8.962 -7.440
570 2HB ASP 70 1HB ASP 70 2.824 9.274 -6.196
571 H PHE 71 H PHE 71 0.649 8.590 -4.171
572 HA PHE 71 HA PHE 71 -1.944 8.407 -5.458
573 1HB PHE 71 2HB PHE 71 -3.038 7.232 -3.669
574 2HB PHE 71 1HB PHE 71 -1.667 6.272 -4.223
575 HD1 PHE 71 1HD PHE 71 -3.106 8.151 -1.462
576 HD2 PHE 71 2HD PHE 71 0.331 6.046 -2.829
577 HE1 PHE 71 1HE PHE 71 -2.268 8.028 0.848
578 HE2 PHE 71 2HE PHE 71 1.174 5.917 -0.522
579 HZ PHE 71 HZ PHE 71 -0.125 6.909 1.320
580 H THR 72 H THR 72 -3.498 9.772 -4.693
581 HA THR 72 HA THR 72 -2.971 11.538 -2.457
582 HB THR 72 HB THR 72 -3.660 13.505 -4.044
583 HG1 THR 72 1HG THR 72 -2.406 11.711 -5.874
584 1HG2 THR 72 1HG2 THR 72 -1.554 13.459 -2.858
585 2HG2 THR 72 2HG2 THR 72 -1.267 13.959 -4.524
586 3HG2 THR 72 3HG2 THR 72 -0.886 12.312 -4.020
587 H THR 73 H THR 73 -4.887 12.462 -1.638
588 HA THR 73 HA THR 73 -7.275 11.035 -2.324
589 HB THR 73 HB THR 73 -6.905 11.601 -0.008
590 HG1 THR 73 1HG THR 73 -9.002 11.788 0.123
591 1HG2 THR 73 1HG2 THR 73 -7.270 14.137 0.544
592 2HG2 THR 73 2HG2 THR 73 -6.665 14.371 -1.095
593 3HG2 THR 73 3HG2 THR 73 -5.670 13.542 0.102
594 H THR 74 H THR 74 -6.136 14.360 -2.762
595 HA THR 74 HA THR 74 -8.322 14.755 -4.692
596 HB THR 74 HB THR 74 -9.041 16.706 -3.808
597 HG1 THR 74 1HG THR 74 -7.694 18.301 -3.245
598 1HG2 THR 74 1HG2 THR 74 -7.677 16.202 -1.222
599 2HG2 THR 74 2HG2 THR 74 -8.672 14.893 -1.864
600 3HG2 THR 74 3HG2 THR 74 -9.385 16.479 -1.571
601 H SER 75 H SER 75 -5.015 15.251 -3.787
602 HA SER 75 HA SER 75 -4.390 17.119 -5.866
603 1HB SER 75 2HB SER 75 -2.888 15.649 -3.778
604 2HB SER 75 1HB SER 75 -1.973 16.089 -5.220
605 HG SER 75 HG SER 75 -2.853 17.657 -3.190
606 H THR 76 H THR 76 -2.169 16.241 -7.106
607 HA THR 76 HA THR 76 -2.769 13.672 -8.363
608 HB THR 76 HB THR 76 -3.958 15.019 -9.873
609 HG1 THR 76 1HG THR 76 -2.136 15.304 -11.633
610 1HG2 THR 76 1HG2 THR 76 -2.186 17.027 -10.751
611 2HG2 THR 76 2HG2 THR 76 -2.163 17.072 -8.988
612 3HG2 THR 76 3HG2 THR 76 -3.691 17.231 -9.854
613 H SER 77 H SER 77 -0.967 12.551 -8.794
614 HA SER 77 HA SER 77 1.512 13.860 -9.465
615 1HB SER 77 2HB SER 77 1.334 13.882 -6.910
616 2HB SER 77 1HB SER 77 1.526 12.130 -6.996
617 HG SER 77 HG SER 77 3.442 13.834 -6.911
618 H THR 78 H THR 78 -0.382 11.832 -10.540
619 HA THR 78 HA THR 78 1.510 9.589 -10.830
620 HB THR 78 HB THR 78 -0.706 8.414 -11.677
621 HG1 THR 78 1HG THR 78 -1.612 10.731 -10.667
622 1HG2 THR 78 1HG2 THR 78 -0.698 7.243 -9.714
623 2HG2 THR 78 2HG2 THR 78 -0.600 8.696 -8.719
624 3HG2 THR 78 3HG2 THR 78 0.839 8.091 -9.541
625 HA PRO 79 HA PRO 79 1.276 11.537 -14.992
626 1HB PRO 79 2HB PRO 79 3.871 11.239 -15.619
627 2HB PRO 79 1HB PRO 79 3.312 12.552 -14.574
628 1HG PRO 79 2HG PRO 79 4.559 9.932 -13.822
629 2HG PRO 79 1HG PRO 79 4.903 11.555 -13.192
630 1HD PRO 79 2HD PRO 79 3.306 9.766 -11.902
631 2HD PRO 79 1HD PRO 79 3.095 11.523 -11.773
632 H GLY 80 H GLY 80 1.493 8.477 -13.850
633 1HA GLY 80 2HA GLY 80 0.834 7.218 -16.251
634 2HA GLY 80 1HA GLY 80 2.565 7.016 -16.022
635 H SER 81 H SER 81 1.655 4.707 -16.076
636 HA SER 81 HA SER 81 0.253 3.693 -13.847
637 1HB SER 81 2HB SER 81 2.142 2.257 -15.729
638 2HB SER 81 1HB SER 81 0.994 1.482 -14.638
639 HG SER 81 HG SER 81 -0.631 2.800 -15.820
640 H ARG 82 H ARG 82 3.688 4.068 -14.548
641 HA ARG 82 HA ARG 82 4.268 3.772 -11.707
642 1HB ARG 82 2HB ARG 82 5.376 2.010 -13.870
643 2HB ARG 82 1HB ARG 82 6.308 2.334 -12.415
644 1HG ARG 82 2HG ARG 82 3.948 1.617 -11.327
645 2HG ARG 82 1HG ARG 82 3.929 0.654 -12.807
646 1HD ARG 82 2HD ARG 82 6.392 0.093 -12.084
647 2HD ARG 82 1HD ARG 82 5.798 0.545 -10.487
648 HE ARG 82 HE ARG 82 4.203 -1.245 -10.640
649 1HH1 ARG 82 1HH1 ARG 82 6.667 -1.222 -13.106
650 2HH1 ARG 82 2HH1 ARG 82 6.465 -2.896 -13.504
651 1HH2 ARG 82 1HH2 ARG 82 3.930 -3.448 -11.160
652 2HH2 ARG 82 2HH2 ARG 82 4.909 -4.161 -12.399
653 H SER 83 H SER 83 6.550 4.391 -11.212
654 HA SER 83 HA SER 83 7.685 6.237 -13.191
655 1HB SER 83 2HB SER 83 7.937 7.215 -10.449
656 2HB SER 83 1HB SER 83 7.429 8.071 -11.906
657 HG SER 83 HG SER 83 5.436 7.822 -11.308
658 H HIS 84 H HIS 84 9.882 6.280 -13.267
659 HA HIS 84 HA HIS 84 11.394 4.965 -11.135
660 1HB HIS 84 2HB HIS 84 12.725 3.975 -13.271
661 2HB HIS 84 1HB HIS 84 11.458 3.096 -12.421
662 HD2 HIS 84 2HD HIS 84 9.104 2.721 -13.808
663 HE1 HIS 84 1HE HIS 84 10.458 4.544 -17.381
664 HE2 HIS 84 2HE HIS 84 8.678 3.065 -16.344
665 H HIS 85 H HIS 85 12.870 6.369 -10.507
666 HA HIS 85 HA HIS 85 14.134 8.107 -12.525
667 1HB HIS 85 2HB HIS 85 13.681 8.618 -9.577
668 2HB HIS 85 1HB HIS 85 14.557 9.692 -10.662
669 HD2 HIS 85 2HD HIS 85 12.879 10.755 -12.790
670 HE1 HIS 85 1HE HIS 85 9.402 10.313 -10.420
671 HE2 HIS 85 2HE HIS 85 10.340 11.238 -12.586
672 H HIS 86 H HIS 86 14.730 6.517 -9.398
673 HA HIS 86 HA HIS 86 17.319 5.609 -10.316
674 1HB HIS 86 2HB HIS 86 17.034 7.925 -8.576
675 2HB HIS 86 1HB HIS 86 17.987 6.650 -7.823
676 HD2 HIS 86 2HD HIS 86 18.311 9.402 -10.445
677 HE1 HIS 86 1HE HIS 86 21.803 7.018 -10.642
678 HE2 HIS 86 2HE HIS 86 20.772 9.253 -11.250
679 H HIS 87 H HIS 87 14.616 5.505 -8.249
680 HA HIS 87 HA HIS 87 13.808 3.971 -6.787
681 1HB HIS 87 2HB HIS 87 14.750 2.512 -8.803
682 2HB HIS 87 1HB HIS 87 15.856 1.947 -7.557
683 HD2 HIS 87 2HD HIS 87 12.158 2.651 -6.589
684 HE1 HIS 87 1HE HIS 87 12.792 -1.533 -6.672
685 HE2 HIS 87 2HE HIS 87 11.114 0.309 -6.202
686 H HIS 88 H HIS 88 17.032 2.563 -6.664
687 HA HIS 88 HA HIS 88 18.561 2.364 -4.999
688 1HB HIS 88 2HB HIS 88 18.127 5.016 -5.144
689 2HB HIS 88 1HB HIS 88 17.592 4.727 -3.492
690 HD2 HIS 88 2HD HIS 88 19.851 6.165 -2.612
691 HE1 HIS 88 1HE HIS 88 22.565 3.106 -3.706
692 HE2 HIS 88 2HE HIS 88 22.316 5.355 -2.562
693 H HIS 89 H HIS 89 18.785 2.143 -2.559
694 HA HIS 89 HA HIS 89 16.352 0.850 -1.561
695 1HB HIS 89 2HB HIS 89 18.993 0.592 -0.186
696 2HB HIS 89 1HB HIS 89 17.693 -0.585 -0.342
697 HD2 HIS 89 2HD HIS 89 21.023 0.314 -1.939
698 HE1 HIS 89 1HE HIS 89 19.114 -2.490 -4.469
699 HE2 HIS 89 2HE HIS 89 21.329 -1.438 -3.827
Start of MODEL 32
1 1H MET 1 1HT MET 1 -7.780 -40.189 2.889
2 2H MET 1 2HT MET 1 -8.957 -41.399 2.975
3 3H MET 1 3HT MET 1 -7.532 -41.542 3.874
4 HA MET 1 HA MET 1 -9.909 -39.936 4.383
5 1HB MET 1 2HB MET 1 -9.240 -42.065 5.569
6 2HB MET 1 1HB MET 1 -7.874 -41.181 6.237
7 1HG MET 1 2HG MET 1 -9.854 -39.524 6.941
8 2HG MET 1 1HG MET 1 -10.740 -41.048 6.918
9 1HE MET 1 1HE MET 1 -10.781 -42.303 9.701
10 2HE MET 1 2HE MET 1 -9.315 -43.246 9.425
11 3HE MET 1 3HE MET 1 -10.415 -42.912 8.087
12 H ARG 2 H ARG 2 -6.495 -39.883 5.421
13 HA ARG 2 HA ARG 2 -5.107 -38.188 6.026
14 1HB ARG 2 2HB ARG 2 -6.093 -37.513 3.591
15 2HB ARG 2 1HB ARG 2 -6.591 -36.115 4.535
16 1HG ARG 2 2HG ARG 2 -4.448 -35.417 4.891
17 2HG ARG 2 1HG ARG 2 -3.781 -37.047 4.781
18 1HD ARG 2 2HD ARG 2 -3.376 -35.319 2.861
19 2HD ARG 2 1HD ARG 2 -3.710 -37.009 2.484
20 HE ARG 2 HE ARG 2 -5.813 -34.944 2.436
21 1HH1 ARG 2 1HH1 ARG 2 -4.116 -37.618 0.983
22 2HH1 ARG 2 2HH1 ARG 2 -5.191 -37.732 -0.370
23 1HH2 ARG 2 1HH2 ARG 2 -7.232 -35.085 0.657
24 2HH2 ARG 2 2HH2 ARG 2 -6.961 -36.291 -0.557
25 H GLY 3 H GLY 3 -5.522 -35.467 6.445
26 1HA GLY 3 2HA GLY 3 -7.691 -34.524 7.751
27 2HA GLY 3 1HA GLY 3 -6.948 -35.564 8.957
28 H SER 4 H SER 4 -6.263 -32.843 6.788
29 HA SER 4 HA SER 4 -3.900 -32.072 8.216
30 1HB SER 4 2HB SER 4 -3.648 -30.405 6.615
31 2HB SER 4 1HB SER 4 -4.578 -31.610 5.723
32 HG SER 4 HG SER 4 -5.883 -29.987 5.405
33 H ASN 5 H ASN 5 -3.870 -29.527 8.738
34 HA ASN 5 HA ASN 5 -5.909 -29.189 10.815
35 1HB ASN 5 2HB ASN 5 -4.354 -27.515 11.768
36 2HB ASN 5 1HB ASN 5 -3.600 -29.095 11.585
37 1HD2 ASN 5 1HD2 ASN 5 -2.261 -29.417 9.665
38 2HD2 ASN 5 2HD2 ASN 5 -1.365 -28.076 9.046
39 H ALA 6 H ALA 6 -6.934 -28.722 8.366
40 HA ALA 6 HA ALA 6 -8.100 -27.213 7.127
41 1HB ALA 6 1HB ALA 6 -8.608 -26.512 9.614
42 2HB ALA 6 2HB ALA 6 -9.151 -25.523 8.258
43 3HB ALA 6 3HB ALA 6 -7.701 -25.071 9.154
44 HA PRO 7 HA PRO 7 -4.365 -25.254 5.380
45 1HB PRO 7 2HB PRO 7 -5.165 -25.455 2.796
46 2HB PRO 7 1HB PRO 7 -4.415 -26.794 3.672
47 1HG PRO 7 2HG PRO 7 -7.312 -26.281 3.117
48 2HG PRO 7 1HG PRO 7 -6.405 -27.802 3.020
49 1HD PRO 7 2HD PRO 7 -7.981 -27.170 5.133
50 2HD PRO 7 1HD PRO 7 -6.517 -28.160 5.293
51 H GLN 8 H GLN 8 -4.079 -23.134 5.043
52 HA GLN 8 HA GLN 8 -6.347 -21.535 4.071
53 1HB GLN 8 2HB GLN 8 -5.390 -19.721 5.681
54 2HB GLN 8 1HB GLN 8 -6.450 -20.973 6.316
55 1HG GLN 8 2HG GLN 8 -4.897 -21.577 7.764
56 2HG GLN 8 1HG GLN 8 -3.777 -21.922 6.447
57 1HE2 GLN 8 1HE2 GLN 8 -1.908 -20.990 6.822
58 2HE2 GLN 8 2HE2 GLN 8 -1.665 -19.398 7.448
59 HA PRO 9 HA PRO 9 -3.196 -20.076 1.288
60 1HB PRO 9 2HB PRO 9 -4.627 -18.148 0.055
61 2HB PRO 9 1HB PRO 9 -4.904 -19.868 -0.245
62 1HG PRO 9 2HG PRO 9 -6.426 -17.980 1.510
63 2HG PRO 9 1HG PRO 9 -7.039 -19.227 0.408
64 1HD PRO 9 2HD PRO 9 -6.835 -19.581 3.102
65 2HD PRO 9 1HD PRO 9 -6.716 -20.911 1.933
66 H SER 10 H SER 10 -1.982 -19.250 3.184
67 HA SER 10 HA SER 10 -2.389 -16.662 4.226
68 1HB SER 10 2HB SER 10 -0.523 -18.793 4.585
69 2HB SER 10 1HB SER 10 0.387 -17.303 4.331
70 HG SER 10 HG SER 10 -0.286 -16.575 6.193
71 H HIS 11 H HIS 11 -0.912 -17.822 1.330
72 HA HIS 11 HA HIS 11 0.046 -16.806 -0.456
73 1HB HIS 11 2HB HIS 11 -1.875 -14.889 0.596
74 2HB HIS 11 1HB HIS 11 -0.548 -14.099 -0.250
75 HD2 HIS 11 2HD HIS 11 -0.109 -15.649 -2.864
76 HE1 HIS 11 1HE HIS 11 -4.318 -15.817 -3.274
77 HE2 HIS 11 2HE HIS 11 -2.103 -15.899 -4.505
78 H ILE 12 H ILE 12 0.282 -13.865 1.475
79 HA ILE 12 HA ILE 12 3.202 -14.069 1.281
80 HB ILE 12 HB ILE 12 1.719 -11.985 0.526
81 1HG1 ILE 12 2HG1 ILE 12 3.837 -10.582 1.380
82 2HG1 ILE 12 1HG1 ILE 12 4.454 -12.206 1.677
83 1HG2 ILE 12 1HG2 ILE 12 0.972 -11.861 3.036
84 2HG2 ILE 12 2HG2 ILE 12 1.279 -10.389 2.115
85 3HG2 ILE 12 3HG2 ILE 12 2.500 -11.002 3.229
86 1HD1 ILE 12 1HD1 ILE 12 5.083 -11.274 -0.527
87 2HD1 ILE 12 2HD1 ILE 12 3.374 -11.280 -0.971
88 3HD1 ILE 12 3HD1 ILE 12 4.201 -12.798 -0.621
89 H SER 13 H SER 13 4.510 -13.390 3.083
90 HA SER 13 HA SER 13 3.476 -14.375 5.600
91 1HB SER 13 2HB SER 13 5.756 -14.985 4.957
92 2HB SER 13 1HB SER 13 6.204 -13.283 4.847
93 HG SER 13 HG SER 13 5.216 -14.446 7.230
94 H LYS 14 H LYS 14 4.288 -11.380 4.046
95 HA LYS 14 HA LYS 14 2.705 -9.805 5.742
96 1HB LYS 14 2HB LYS 14 4.549 -8.433 6.764
97 2HB LYS 14 1HB LYS 14 4.379 -10.054 7.426
98 1HG LYS 14 2HG LYS 14 6.285 -10.826 6.227
99 2HG LYS 14 1HG LYS 14 6.379 -9.327 5.301
100 1HD LYS 14 2HD LYS 14 6.436 -8.530 7.972
101 2HD LYS 14 1HD LYS 14 7.471 -9.959 7.900
102 1HE LYS 14 2HE LYS 14 8.924 -8.983 6.371
103 2HE LYS 14 1HE LYS 14 7.735 -7.785 5.860
104 1HZ LYS 14 1HZ LYS 14 7.992 -7.100 8.392
105 2HZ LYS 14 2HZ LYS 14 9.000 -6.482 7.183
106 3HZ LYS 14 3HZ LYS 14 9.532 -7.760 8.155
107 H TYR 15 H TYR 15 2.406 -7.749 4.917
108 HA TYR 15 HA TYR 15 3.848 -7.142 2.417
109 1HB TYR 15 2HB TYR 15 1.064 -6.441 3.359
110 2HB TYR 15 1HB TYR 15 1.837 -5.572 2.040
111 HD1 TYR 15 1HD TYR 15 2.972 -7.363 0.275
112 HD2 TYR 15 2HD TYR 15 -0.481 -8.017 2.686
113 HE1 TYR 15 1HE TYR 15 2.177 -9.050 -1.325
114 HE2 TYR 15 2HE TYR 15 -1.280 -9.704 1.088
115 HH TYR 15 HH TYR 15 0.238 -11.295 -0.827
116 H ILE 16 H ILE 16 4.766 -5.075 2.155
117 HA ILE 16 HA ILE 16 4.760 -3.443 4.602
118 HB ILE 16 HB ILE 16 6.970 -4.300 2.866
119 1HG1 ILE 16 2HG1 ILE 16 6.751 -4.871 5.264
120 2HG1 ILE 16 1HG1 ILE 16 8.246 -4.006 4.919
121 1HG2 ILE 16 1HG2 ILE 16 8.274 -2.208 3.248
122 2HG2 ILE 16 2HG2 ILE 16 6.776 -1.425 3.753
123 3HG2 ILE 16 3HG2 ILE 16 6.944 -2.027 2.104
124 1HD1 ILE 16 1HD1 ILE 16 7.499 -2.061 5.959
125 2HD1 ILE 16 2HD1 ILE 16 6.925 -3.357 7.009
126 3HD1 ILE 16 3HD1 ILE 16 5.809 -2.563 5.895
127 H LEU 17 H LEU 17 3.859 -1.543 4.460
128 HA LEU 17 HA LEU 17 3.489 -0.339 1.802
129 1HB LEU 17 2HB LEU 17 1.539 -0.995 3.504
130 2HB LEU 17 1HB LEU 17 1.930 0.583 4.161
131 HG LEU 17 HG LEU 17 1.707 1.224 1.551
132 1HD1 LEU 17 1HD1 LEU 17 -0.322 0.055 0.701
133 2HD1 LEU 17 2HD1 LEU 17 -0.134 -1.114 2.007
134 3HD1 LEU 17 3HD1 LEU 17 1.119 -0.959 0.777
135 1HD2 LEU 17 1HD2 LEU 17 -0.509 1.011 3.583
136 2HD2 LEU 17 2HD2 LEU 17 -0.596 1.953 2.095
137 3HD2 LEU 17 3HD2 LEU 17 0.580 2.375 3.339
138 H ARG 18 H ARG 18 4.875 1.250 1.422
139 HA ARG 18 HA ARG 18 5.642 2.986 3.668
140 1HB ARG 18 2HB ARG 18 7.631 3.096 1.640
141 2HB ARG 18 1HB ARG 18 7.788 2.517 3.293
142 1HG ARG 18 2HG ARG 18 6.726 0.339 2.315
143 2HG ARG 18 1HG ARG 18 7.320 0.985 0.785
144 1HD ARG 18 2HD ARG 18 8.858 -0.594 2.049
145 2HD ARG 18 1HD ARG 18 9.554 0.936 1.509
146 HE ARG 18 HE ARG 18 8.618 0.521 4.274
147 1HH1 ARG 18 1HH1 ARG 18 11.011 1.600 1.982
148 2HH1 ARG 18 2HH1 ARG 18 12.078 2.223 3.194
149 1HH2 ARG 18 1HH2 ARG 18 10.018 1.335 5.877
150 2HH2 ARG 18 2HH2 ARG 18 11.514 2.071 5.409
151 H TRP 19 H TRP 19 5.289 5.093 3.422
152 HA TRP 19 HA TRP 19 5.219 6.272 0.782
153 1HB TRP 19 2HB TRP 19 3.007 7.070 0.820
154 2HB TRP 19 1HB TRP 19 2.878 5.390 1.326
155 HD1 TRP 19 HD TRP 19 2.225 8.916 2.492
156 HE1 TRP 19 1HE TRP 19 1.065 8.854 4.791
157 HE3 TRP 19 3HE TRP 19 2.791 3.947 3.560
158 HZ2 TRP 19 2HZ TRP 19 0.469 6.954 6.789
159 HZ3 TRP 19 3HZ TRP 19 1.897 3.087 5.685
160 HH2 TRP 19 HH TRP 19 0.760 4.561 7.265
161 H ARG 20 H ARG 20 5.449 8.545 0.778
162 HA ARG 20 HA ARG 20 5.636 9.932 3.311
163 1HB ARG 20 2HB ARG 20 7.869 10.043 3.528
164 2HB ARG 20 1HB ARG 20 7.906 8.667 2.438
165 1HG ARG 20 2HG ARG 20 7.982 11.486 1.415
166 2HG ARG 20 1HG ARG 20 9.442 10.637 1.927
167 1HD ARG 20 2HD ARG 20 8.345 8.774 0.318
168 2HD ARG 20 1HD ARG 20 7.746 10.241 -0.454
169 HE ARG 20 HE ARG 20 10.561 9.474 -0.143
170 1HH1 ARG 20 1HH1 ARG 20 8.128 11.576 -1.489
171 2HH1 ARG 20 2HH1 ARG 20 9.211 12.315 -2.621
172 1HH2 ARG 20 1HH2 ARG 20 11.991 10.440 -1.634
173 2HH2 ARG 20 2HH2 ARG 20 11.404 11.670 -2.703
174 HA PRO 21 HA PRO 21 4.212 13.325 0.892
175 1HB PRO 21 2HB PRO 21 5.910 15.005 2.666
176 2HB PRO 21 1HB PRO 21 4.178 15.119 2.325
177 1HG PRO 21 2HG PRO 21 4.992 14.151 4.648
178 2HG PRO 21 1HG PRO 21 3.649 13.378 3.779
179 1HD PRO 21 2HD PRO 21 6.518 12.527 3.949
180 2HD PRO 21 1HD PRO 21 5.045 11.545 4.090
181 H LYS 22 H LYS 22 5.044 13.428 -1.093
182 HA LYS 22 HA LYS 22 7.785 13.619 -1.726
183 1HB LYS 22 2HB LYS 22 5.293 14.167 -3.325
184 2HB LYS 22 1HB LYS 22 6.897 14.216 -4.028
185 1HG LYS 22 2HG LYS 22 6.845 11.783 -2.726
186 2HG LYS 22 1HG LYS 22 5.212 11.946 -3.373
187 1HD LYS 22 2HD LYS 22 6.469 10.855 -5.043
188 2HD LYS 22 1HD LYS 22 6.289 12.525 -5.587
189 1HE LYS 22 2HE LYS 22 8.617 12.564 -4.096
190 2HE LYS 22 1HE LYS 22 8.691 11.017 -4.937
191 1HZ LYS 22 1HZ LYS 22 8.128 13.581 -6.316
192 2HZ LYS 22 2HZ LYS 22 8.515 12.093 -7.019
193 3HZ LYS 22 3HZ LYS 22 9.688 12.946 -6.148
194 H ASN 23 H ASN 23 5.489 15.979 -0.776
195 HA ASN 23 HA ASN 23 6.674 18.246 -2.034
196 1HB ASN 23 2HB ASN 23 4.485 17.727 -0.187
197 2HB ASN 23 1HB ASN 23 5.381 19.179 0.249
198 1HD2 ASN 23 1HD2 ASN 23 2.666 18.796 -0.842
199 2HD2 ASN 23 2HD2 ASN 23 2.603 19.771 -2.266
200 H SER 24 H SER 24 7.494 16.327 0.654
201 HA SER 24 HA SER 24 9.405 18.367 1.586
202 1HB SER 24 2HB SER 24 7.530 17.516 3.178
203 2HB SER 24 1HB SER 24 8.513 16.056 3.291
204 HG SER 24 HG SER 24 9.703 18.570 3.675
205 H VAL 25 H VAL 25 10.938 16.637 3.192
206 HA VAL 25 HA VAL 25 12.151 14.875 1.167
207 HB VAL 25 HB VAL 25 14.042 15.622 3.163
208 1HG1 VAL 25 1HG1 VAL 25 13.956 16.215 0.214
209 2HG1 VAL 25 2HG1 VAL 25 14.523 14.708 0.935
210 3HG1 VAL 25 3HG1 VAL 25 15.386 16.215 1.246
211 1HG2 VAL 25 1HG2 VAL 25 12.477 17.662 3.176
212 2HG2 VAL 25 2HG2 VAL 25 13.133 17.993 1.574
213 3HG2 VAL 25 3HG2 VAL 25 14.206 17.942 2.973
214 H GLY 26 H GLY 26 12.281 12.802 1.678
215 1HA GLY 26 2HA GLY 26 12.314 10.861 2.898
216 2HA GLY 26 1HA GLY 26 13.029 11.805 4.196
217 H ARG 27 H ARG 27 11.923 10.944 5.888
218 HA ARG 27 HA ARG 27 10.239 10.662 7.383
219 1HB ARG 27 2HB ARG 27 9.663 13.095 6.038
220 2HB ARG 27 1HB ARG 27 8.142 12.248 6.273
221 1HG ARG 27 2HG ARG 27 8.140 13.192 8.292
222 2HG ARG 27 1HG ARG 27 9.339 11.967 8.714
223 1HD ARG 27 2HD ARG 27 10.863 13.907 7.520
224 2HD ARG 27 1HD ARG 27 9.637 14.853 8.362
225 HE ARG 27 HE ARG 27 11.566 13.024 9.608
226 1HH1 ARG 27 1HH1 ARG 27 9.119 15.491 9.874
227 2HH1 ARG 27 2HH1 ARG 27 9.452 15.823 11.541
228 1HH2 ARG 27 1HH2 ARG 27 12.013 13.458 11.802
229 2HH2 ARG 27 2HH2 ARG 27 11.098 14.668 12.636
230 H TRP 28 H TRP 28 10.341 8.588 5.946
231 HA TRP 28 HA TRP 28 8.012 8.018 4.365
232 1HB TRP 28 2HB TRP 28 10.306 6.377 5.412
233 2HB TRP 28 1HB TRP 28 8.918 5.601 4.664
234 HD1 TRP 28 HD TRP 28 12.144 7.281 3.847
235 HE1 TRP 28 1HE TRP 28 12.437 7.430 1.295
236 HE3 TRP 28 3HE TRP 28 7.404 6.012 2.405
237 HZ2 TRP 28 2HZ TRP 28 10.872 7.054 -1.022
238 HZ3 TRP 28 3HZ TRP 28 6.882 5.934 -0.003
239 HH2 TRP 28 HH TRP 28 8.584 6.439 -1.676
240 H LYS 29 H LYS 29 6.806 5.881 4.953
241 HA LYS 29 HA LYS 29 6.262 5.653 7.816
242 1HB LYS 29 2HB LYS 29 4.298 6.529 5.727
243 2HB LYS 29 1HB LYS 29 3.738 5.556 7.081
244 1HG LYS 29 2HG LYS 29 5.343 7.631 8.136
245 2HG LYS 29 1HG LYS 29 4.228 8.352 6.973
246 1HD LYS 29 2HD LYS 29 2.348 7.266 8.105
247 2HD LYS 29 1HD LYS 29 3.464 6.545 9.267
248 1HE LYS 29 2HE LYS 29 3.666 8.451 10.439
249 2HE LYS 29 1HE LYS 29 3.713 9.451 8.988
250 1HZ LYS 29 1HZ LYS 29 1.753 9.923 10.305
251 2HZ LYS 29 2HZ LYS 29 1.269 8.305 10.227
252 3HZ LYS 29 3HZ LYS 29 1.304 9.244 8.821
253 H GLU 30 H GLU 30 5.955 3.540 8.389
254 HA GLU 30 HA GLU 30 5.571 1.643 6.165
255 1HB GLU 30 2HB GLU 30 6.791 0.337 8.383
256 2HB GLU 30 1HB GLU 30 7.433 0.593 6.767
257 1HG GLU 30 2HG GLU 30 9.023 1.523 8.191
258 2HG GLU 30 1HG GLU 30 8.117 2.905 7.578
259 H ALA 31 H ALA 31 4.084 0.119 6.305
260 HA ALA 31 HA ALA 31 2.781 -0.466 8.857
261 1HB ALA 31 1HB ALA 31 1.603 1.310 7.175
262 2HB ALA 31 2HB ALA 31 0.719 0.255 8.279
263 3HB ALA 31 3HB ALA 31 0.919 -0.207 6.590
264 H THR 32 H THR 32 3.087 -2.612 9.052
265 HA THR 32 HA THR 32 3.299 -4.261 6.676
266 HB THR 32 HB THR 32 3.559 -5.092 9.568
267 HG1 THR 32 1HG THR 32 5.154 -3.558 8.227
268 1HG2 THR 32 1HG2 THR 32 4.834 -7.005 8.506
269 2HG2 THR 32 2HG2 THR 32 4.171 -6.480 6.958
270 3HG2 THR 32 3HG2 THR 32 3.089 -7.016 8.246
271 H ILE 33 H ILE 33 1.861 -5.643 5.926
272 HA ILE 33 HA ILE 33 -0.426 -6.443 7.569
273 HB ILE 33 HB ILE 33 -1.688 -6.131 5.214
274 1HG1 ILE 33 2HG1 ILE 33 0.228 -3.792 5.352
275 2HG1 ILE 33 1HG1 ILE 33 0.361 -5.117 4.201
276 1HG2 ILE 33 1HG2 ILE 33 -1.527 -3.662 6.843
277 2HG2 ILE 33 2HG2 ILE 33 -1.997 -5.148 7.670
278 3HG2 ILE 33 3HG2 ILE 33 -2.936 -4.570 6.293
279 1HD1 ILE 33 1HD1 ILE 33 -2.266 -3.882 4.190
280 2HD1 ILE 33 2HD1 ILE 33 -1.162 -4.221 2.856
281 3HD1 ILE 33 3HD1 ILE 33 -0.967 -2.750 3.809
282 HA PRO 34 HA PRO 34 1.299 -10.216 5.691
283 1HB PRO 34 2HB PRO 34 -0.486 -11.876 7.000
284 2HB PRO 34 1HB PRO 34 1.084 -11.364 7.623
285 1HG PRO 34 2HG PRO 34 -1.638 -10.267 8.201
286 2HG PRO 34 1HG PRO 34 -0.279 -10.535 9.309
287 1HD PRO 34 2HD PRO 34 -0.864 -8.087 8.398
288 2HD PRO 34 1HD PRO 34 0.819 -8.604 8.627
289 H GLY 35 H GLY 35 0.139 -12.254 4.779
290 1HA GLY 35 2HA GLY 35 -1.438 -11.408 2.589
291 2HA GLY 35 1HA GLY 35 -1.110 -13.075 3.037
292 H HIS 36 H HIS 36 -3.257 -10.371 3.408
293 HA HIS 36 HA HIS 36 -5.580 -11.915 3.635
294 1HB HIS 36 2HB HIS 36 -4.128 -11.619 6.087
295 2HB HIS 36 1HB HIS 36 -5.632 -10.711 6.209
296 HD2 HIS 36 2HD HIS 36 -7.969 -12.357 5.543
297 HE1 HIS 36 1HE HIS 36 -5.984 -15.844 6.887
298 HE2 HIS 36 2HE HIS 36 -8.240 -14.779 6.429
299 H LEU 37 H LEU 37 -4.182 -8.981 5.040
300 HA LEU 37 HA LEU 37 -6.511 -7.411 4.409
301 1HB LEU 37 2HB LEU 37 -4.012 -6.007 5.110
302 2HB LEU 37 1HB LEU 37 -5.633 -5.784 5.729
303 HG LEU 37 HG LEU 37 -4.390 -6.475 7.581
304 1HD1 LEU 37 1HD1 LEU 37 -6.452 -7.721 7.461
305 2HD1 LEU 37 2HD1 LEU 37 -5.179 -8.732 8.148
306 3HD1 LEU 37 3HD1 LEU 37 -5.678 -8.960 6.473
307 1HD2 LEU 37 1HD2 LEU 37 -2.650 -7.564 5.745
308 2HD2 LEU 37 2HD2 LEU 37 -3.247 -8.964 6.634
309 3HD2 LEU 37 3HD2 LEU 37 -2.494 -7.625 7.500
310 H ASN 38 H ASN 38 -4.030 -8.598 2.642
311 HA ASN 38 HA ASN 38 -2.906 -8.024 0.742
312 1HB ASN 38 2HB ASN 38 -4.449 -7.219 -1.068
313 2HB ASN 38 1HB ASN 38 -5.037 -8.622 -0.188
314 1HD2 ASN 38 1HD2 ASN 38 -5.638 -5.388 -1.089
315 2HD2 ASN 38 2HD2 ASN 38 -7.147 -5.196 -0.269
316 H SER 39 H SER 39 -4.381 -5.417 -0.596
317 HA SER 39 HA SER 39 -2.234 -3.661 0.256
318 1HB SER 39 2HB SER 39 -4.382 -2.957 -1.734
319 2HB SER 39 1HB SER 39 -2.733 -2.340 -1.631
320 HG SER 39 HG SER 39 -1.972 -4.277 -2.395
321 H TYR 40 H TYR 40 -2.485 -2.340 1.927
322 HA TYR 40 HA TYR 40 -5.125 -1.702 2.925
323 1HB TYR 40 2HB TYR 40 -3.591 -2.144 4.650
324 2HB TYR 40 1HB TYR 40 -2.325 -1.180 3.899
325 HD1 TYR 40 1HD TYR 40 -5.645 -0.899 5.553
326 HD2 TYR 40 2HD TYR 40 -1.990 1.039 4.563
327 HE1 TYR 40 1HE TYR 40 -6.283 1.011 6.964
328 HE2 TYR 40 2HE TYR 40 -2.617 2.955 5.972
329 HH TYR 40 HH TYR 40 -4.424 3.967 7.008
330 H THR 41 H THR 41 -6.234 0.082 2.479
331 HA THR 41 HA THR 41 -4.926 2.176 0.906
332 HB THR 41 HB THR 41 -6.959 1.267 -0.067
333 HG1 THR 41 1HG THR 41 -8.207 3.365 0.006
334 1HG2 THR 41 1HG2 THR 41 -8.598 0.571 1.279
335 2HG2 THR 41 2HG2 THR 41 -9.015 2.264 1.551
336 3HG2 THR 41 3HG2 THR 41 -7.908 1.441 2.651
337 H ILE 42 H ILE 42 -5.051 4.353 1.431
338 HA ILE 42 HA ILE 42 -5.621 4.903 4.259
339 HB ILE 42 HB ILE 42 -3.952 6.603 2.408
340 1HG1 ILE 42 2HG1 ILE 42 -2.532 5.058 4.447
341 2HG1 ILE 42 1HG1 ILE 42 -3.299 4.044 3.230
342 1HG2 ILE 42 1HG2 ILE 42 -3.321 7.803 4.282
343 2HG2 ILE 42 2HG2 ILE 42 -3.745 6.496 5.387
344 3HG2 ILE 42 3HG2 ILE 42 -5.016 7.452 4.622
345 1HD1 ILE 42 1HD1 ILE 42 -1.205 6.152 2.853
346 2HD1 ILE 42 2HD1 ILE 42 -2.161 5.524 1.512
347 3HD1 ILE 42 3HD1 ILE 42 -1.134 4.438 2.446
348 H LYS 43 H LYS 43 -7.179 6.282 4.783
349 HA LYS 43 HA LYS 43 -9.084 7.083 2.907
350 1HB LYS 43 2HB LYS 43 -9.857 8.564 4.921
351 2HB LYS 43 1HB LYS 43 -9.976 6.811 4.990
352 1HG LYS 43 2HG LYS 43 -7.492 7.201 5.998
353 2HG LYS 43 1HG LYS 43 -8.324 8.652 6.560
354 1HD LYS 43 2HD LYS 43 -8.662 7.067 8.261
355 2HD LYS 43 1HD LYS 43 -10.171 7.076 7.348
356 1HE LYS 43 2HE LYS 43 -9.962 4.878 7.096
357 2HE LYS 43 1HE LYS 43 -8.543 5.178 6.092
358 1HZ LYS 43 1HZ LYS 43 -7.254 4.307 7.649
359 2HZ LYS 43 2HZ LYS 43 -8.630 3.888 8.539
360 3HZ LYS 43 3HZ LYS 43 -7.855 5.363 8.827
361 H GLY 44 H GLY 44 -8.601 9.764 4.911
362 1HA GLY 44 2HA GLY 44 -8.199 11.446 2.612
363 2HA GLY 44 1HA GLY 44 -8.456 11.977 4.263
364 H LEU 45 H LEU 45 -6.524 12.669 2.049
365 HA LEU 45 HA LEU 45 -4.084 12.545 3.679
366 1HB LEU 45 2HB LEU 45 -4.384 12.209 0.698
367 2HB LEU 45 1HB LEU 45 -2.858 12.657 1.436
368 HG LEU 45 HG LEU 45 -2.710 10.346 1.110
369 1HD1 LEU 45 1HD1 LEU 45 -2.254 9.555 3.214
370 2HD1 LEU 45 2HD1 LEU 45 -3.698 10.281 3.920
371 3HD1 LEU 45 3HD1 LEU 45 -2.310 11.292 3.513
372 1HD2 LEU 45 1HD2 LEU 45 -4.526 8.809 2.041
373 2HD2 LEU 45 2HD2 LEU 45 -4.873 9.681 0.547
374 3HD2 LEU 45 3HD2 LEU 45 -5.544 10.250 2.077
375 H LYS 46 H LYS 46 -6.433 14.488 2.666
376 HA LYS 46 HA LYS 46 -6.728 16.714 2.478
377 1HB LYS 46 2HB LYS 46 -4.284 16.393 4.020
378 2HB LYS 46 1HB LYS 46 -4.381 17.933 3.190
379 1HG LYS 46 2HG LYS 46 -6.133 18.659 4.441
380 2HG LYS 46 1HG LYS 46 -6.766 17.029 4.689
381 1HD LYS 46 2HD LYS 46 -4.135 17.654 5.900
382 2HD LYS 46 1HD LYS 46 -5.551 18.422 6.622
383 1HE LYS 46 2HE LYS 46 -6.575 16.066 6.616
384 2HE LYS 46 1HE LYS 46 -4.928 15.499 6.347
385 1HZ LYS 46 1HZ LYS 46 -5.984 15.877 8.758
386 2HZ LYS 46 2HZ LYS 46 -5.271 17.392 8.520
387 3HZ LYS 46 3HZ LYS 46 -4.326 15.992 8.442
388 HA PRO 47 HA PRO 47 -5.122 17.937 -1.442
389 1HB PRO 47 2HB PRO 47 -5.809 20.529 -1.523
390 2HB PRO 47 1HB PRO 47 -7.027 19.247 -1.533
391 1HG PRO 47 2HG PRO 47 -6.092 20.953 0.743
392 2HG PRO 47 1HG PRO 47 -7.744 20.477 0.307
393 1HD PRO 47 2HD PRO 47 -6.274 19.247 2.261
394 2HD PRO 47 1HD PRO 47 -7.559 18.441 1.341
395 H GLY 48 H GLY 48 -3.469 19.096 -2.502
396 1HA GLY 48 2HA GLY 48 -1.498 20.271 -2.703
397 2HA GLY 48 1HA GLY 48 -1.844 21.021 -1.151
398 H VAL 49 H VAL 49 -2.062 17.748 -0.747
399 HA VAL 49 HA VAL 49 0.755 17.570 0.105
400 HB VAL 49 HB VAL 49 -1.099 15.707 1.400
401 1HG1 VAL 49 1HG1 VAL 49 0.254 17.098 3.335
402 2HG1 VAL 49 2HG1 VAL 49 1.350 17.181 1.955
403 3HG1 VAL 49 3HG1 VAL 49 0.805 15.615 2.555
404 1HG2 VAL 49 1HG2 VAL 49 -1.909 18.429 1.242
405 2HG2 VAL 49 2HG2 VAL 49 -1.398 18.093 2.896
406 3HG2 VAL 49 3HG2 VAL 49 -2.650 17.105 2.144
407 H VAL 50 H VAL 50 1.845 16.258 -1.206
408 HA VAL 50 HA VAL 50 0.456 14.095 -2.566
409 HB VAL 50 HB VAL 50 3.150 15.345 -2.924
410 1HG1 VAL 50 1HG1 VAL 50 3.658 12.967 -2.801
411 2HG1 VAL 50 2HG1 VAL 50 3.755 13.514 -4.477
412 3HG1 VAL 50 3HG1 VAL 50 2.345 12.611 -3.924
413 1HG2 VAL 50 1HG2 VAL 50 1.277 16.168 -4.215
414 2HG2 VAL 50 2HG2 VAL 50 0.927 14.524 -4.766
415 3HG2 VAL 50 3HG2 VAL 50 2.423 15.326 -5.264
416 H TYR 51 H TYR 51 1.030 11.946 -2.429
417 HA TYR 51 HA TYR 51 2.860 11.222 -0.256
418 1HB TYR 51 2HB TYR 51 -0.046 10.487 -0.422
419 2HB TYR 51 1HB TYR 51 1.100 9.430 0.399
420 HD1 TYR 51 1HD TYR 51 2.669 10.677 2.139
421 HD2 TYR 51 2HD TYR 51 -1.118 12.105 0.834
422 HE1 TYR 51 1HE TYR 51 2.503 12.059 4.165
423 HE2 TYR 51 2HE TYR 51 -1.299 13.492 2.857
424 HH TYR 51 HH TYR 51 0.912 14.482 4.613
425 H GLU 52 H GLU 52 4.369 10.185 -1.374
426 HA GLU 52 HA GLU 52 3.602 8.388 -3.540
427 1HB GLU 52 2HB GLU 52 5.511 9.898 -3.888
428 2HB GLU 52 1HB GLU 52 6.330 9.191 -2.502
429 1HG GLU 52 2HG GLU 52 5.905 6.974 -3.945
430 2HG GLU 52 1HG GLU 52 6.005 8.162 -5.244
431 H GLY 53 H GLY 53 3.464 6.247 -3.293
432 1HA GLY 53 2HA GLY 53 4.832 5.024 -1.006
433 2HA GLY 53 1HA GLY 53 3.095 4.813 -1.161
434 H GLN 54 H GLN 54 5.288 2.870 -1.174
435 HA GLN 54 HA GLN 54 4.547 1.533 -3.660
436 1HB GLN 54 2HB GLN 54 6.818 0.694 -3.952
437 2HB GLN 54 1HB GLN 54 6.800 2.452 -3.970
438 1HG GLN 54 2HG GLN 54 7.383 0.988 -1.450
439 2HG GLN 54 1HG GLN 54 8.627 1.192 -2.680
440 1HE2 GLN 54 1HE2 GLN 54 8.733 2.251 -0.062
441 2HE2 GLN 54 2HE2 GLN 54 8.738 3.974 -0.187
442 H LEU 55 H LEU 55 4.115 -0.623 -3.449
443 HA LEU 55 HA LEU 55 4.071 -1.605 -0.692
444 1HB LEU 55 2HB LEU 55 2.132 -1.585 -2.621
445 2HB LEU 55 1HB LEU 55 2.748 -3.222 -2.746
446 HG LEU 55 HG LEU 55 1.734 -1.959 -0.198
447 1HD1 LEU 55 1HD1 LEU 55 -0.233 -3.307 -0.470
448 2HD1 LEU 55 2HD1 LEU 55 0.408 -4.019 -1.951
449 3HD1 LEU 55 3HD1 LEU 55 -0.022 -2.308 -1.910
450 1HD2 LEU 55 1HD2 LEU 55 1.697 -4.756 -0.060
451 2HD2 LEU 55 2HD2 LEU 55 2.757 -3.649 0.813
452 3HD2 LEU 55 3HD2 LEU 55 3.271 -4.328 -0.733
453 H ILE 56 H ILE 56 5.816 -2.698 -0.145
454 HA ILE 56 HA ILE 56 7.037 -4.517 -2.095
455 HB ILE 56 HB ILE 56 8.113 -3.516 0.548
456 1HG1 ILE 56 2HG1 ILE 56 9.835 -2.564 -1.265
457 2HG1 ILE 56 1HG1 ILE 56 8.396 -2.617 -2.278
458 1HG2 ILE 56 1HG2 ILE 56 9.047 -5.570 -1.364
459 2HG2 ILE 56 2HG2 ILE 56 9.266 -5.461 0.382
460 3HG2 ILE 56 3HG2 ILE 56 10.267 -4.487 -0.694
461 1HD1 ILE 56 1HD1 ILE 56 7.370 -0.941 -1.140
462 2HD1 ILE 56 2HD1 ILE 56 9.050 -0.484 -0.860
463 3HD1 ILE 56 3HD1 ILE 56 8.150 -1.348 0.388
464 H SER 57 H SER 57 6.339 -6.544 -1.997
465 HA SER 57 HA SER 57 5.160 -7.585 0.435
466 1HB SER 57 2HB SER 57 5.543 -9.196 -2.068
467 2HB SER 57 1HB SER 57 4.254 -9.289 -0.869
468 HG SER 57 HG SER 57 3.354 -8.243 -2.553
469 H ILE 58 H ILE 58 5.995 -9.087 1.720
470 HA ILE 58 HA ILE 58 8.678 -10.119 1.096
471 HB ILE 58 HB ILE 58 7.602 -9.502 3.846
472 1HG1 ILE 58 2HG1 ILE 58 9.772 -7.871 3.402
473 2HG1 ILE 58 1HG1 ILE 58 8.980 -7.881 1.829
474 1HG2 ILE 58 1HG2 ILE 58 9.324 -10.663 4.639
475 2HG2 ILE 58 2HG2 ILE 58 10.449 -9.726 3.657
476 3HG2 ILE 58 3HG2 ILE 58 9.697 -11.176 2.992
477 1HD1 ILE 58 1HD1 ILE 58 8.335 -6.327 4.052
478 2HD1 ILE 58 2HD1 ILE 58 7.043 -7.520 3.914
479 3HD1 ILE 58 3HD1 ILE 58 7.431 -6.477 2.545
480 H GLN 59 H GLN 59 9.010 -12.272 1.204
481 HA GLN 59 HA GLN 59 6.741 -13.950 1.963
482 1HB GLN 59 2HB GLN 59 8.058 -14.248 -0.229
483 2HB GLN 59 1HB GLN 59 9.325 -14.948 0.769
484 1HG GLN 59 2HG GLN 59 8.025 -16.781 1.355
485 2HG GLN 59 1HG GLN 59 6.519 -15.967 0.942
486 1HE2 GLN 59 1HE2 GLN 59 6.922 -18.475 0.074
487 2HE2 GLN 59 2HE2 GLN 59 7.198 -18.498 -1.630
488 H GLN 60 H GLN 60 7.776 -16.241 2.845
489 HA GLN 60 HA GLN 60 8.377 -15.727 5.523
490 1HB GLN 60 2HB GLN 60 9.220 -18.339 4.388
491 2HB GLN 60 1HB GLN 60 8.289 -17.989 5.837
492 1HG GLN 60 2HG GLN 60 6.327 -17.512 4.474
493 2HG GLN 60 1HG GLN 60 7.260 -17.838 3.013
494 1HE2 GLN 60 1HE2 GLN 60 6.619 -19.691 2.187
495 2HE2 GLN 60 2HE2 GLN 60 6.327 -21.152 3.062
496 H TYR 61 H TYR 61 10.506 -16.172 2.771
497 HA TYR 61 HA TYR 61 12.813 -16.213 4.582
498 1HB TYR 61 2HB TYR 61 13.947 -16.490 2.144
499 2HB TYR 61 1HB TYR 61 13.405 -17.839 3.132
500 HD1 TYR 61 1HD TYR 61 12.094 -15.487 0.536
501 HD2 TYR 61 2HD TYR 61 12.031 -19.417 2.165
502 HE1 TYR 61 1HE TYR 61 10.622 -16.216 -1.294
503 HE2 TYR 61 2HE TYR 61 10.558 -20.157 0.341
504 HH TYR 61 HH TYR 61 9.433 -17.886 -2.148
505 H GLY 62 H GLY 62 10.993 -13.903 3.385
506 1HA GLY 62 2HA GLY 62 11.564 -11.614 3.482
507 2HA GLY 62 1HA GLY 62 13.246 -12.046 3.228
508 H HIS 63 H HIS 63 11.533 -10.040 1.900
509 HA HIS 63 HA HIS 63 11.290 -9.139 -0.178
510 1HB HIS 63 2HB HIS 63 13.101 -11.411 -1.017
511 2HB HIS 63 1HB HIS 63 12.703 -10.008 -2.003
512 HD2 HIS 63 2HD HIS 63 15.798 -10.511 -1.253
513 HE1 HIS 63 1HE HIS 63 15.211 -7.353 1.504
514 HE2 HIS 63 2HE HIS 63 16.916 -8.601 0.101
515 H GLN 64 H GLN 64 10.179 -9.437 -2.232
516 HA GLN 64 HA GLN 64 9.179 -11.875 -3.133
517 1HB GLN 64 2HB GLN 64 7.848 -11.032 -0.812
518 2HB GLN 64 1HB GLN 64 6.749 -10.698 -2.140
519 1HG GLN 64 2HG GLN 64 7.182 -13.129 -0.846
520 2HG GLN 64 1HG GLN 64 6.192 -12.829 -2.273
521 1HE2 GLN 64 1HE2 GLN 64 9.409 -13.707 -1.175
522 2HE2 GLN 64 2HE2 GLN 64 9.879 -14.545 -2.607
523 H GLU 65 H GLU 65 7.864 -8.576 -2.656
524 HA GLU 65 HA GLU 65 7.793 -8.265 -5.567
525 1HB GLU 65 2HB GLU 65 5.573 -9.115 -4.336
526 2HB GLU 65 1HB GLU 65 5.376 -7.387 -4.084
527 1HG GLU 65 2HG GLU 65 5.869 -7.251 -6.646
528 2HG GLU 65 1HG GLU 65 5.378 -8.943 -6.626
529 H VAL 66 H VAL 66 7.936 -6.163 -6.305
530 HA VAL 66 HA VAL 66 7.942 -4.014 -4.309
531 HB VAL 66 HB VAL 66 10.100 -4.366 -6.394
532 1HG1 VAL 66 1HG1 VAL 66 9.696 -2.052 -6.217
533 2HG1 VAL 66 2HG1 VAL 66 11.078 -2.360 -5.164
534 3HG1 VAL 66 3HG1 VAL 66 9.472 -2.142 -4.470
535 1HG2 VAL 66 1HG2 VAL 66 9.892 -5.164 -3.604
536 2HG2 VAL 66 2HG2 VAL 66 11.290 -4.136 -3.916
537 3HG2 VAL 66 3HG2 VAL 66 11.073 -5.631 -4.828
538 H THR 67 H THR 67 6.427 -2.619 -4.929
539 HA THR 67 HA THR 67 6.337 -1.808 -7.749
540 HB THR 67 HB THR 67 3.913 -2.546 -6.095
541 HG1 THR 67 1HG THR 67 4.975 -4.321 -7.095
542 1HG2 THR 67 1HG2 THR 67 3.143 -2.065 -8.734
543 2HG2 THR 67 2HG2 THR 67 4.207 -0.722 -8.320
544 3HG2 THR 67 3HG2 THR 67 2.789 -1.061 -7.329
545 H ARG 68 H ARG 68 6.579 0.322 -7.873
546 HA ARG 68 HA ARG 68 5.987 1.967 -5.527
547 1HB ARG 68 2HB ARG 68 7.501 2.651 -8.052
548 2HB ARG 68 1HB ARG 68 7.348 3.680 -6.634
549 1HG ARG 68 2HG ARG 68 8.802 2.428 -5.396
550 2HG ARG 68 1HG ARG 68 8.466 0.947 -6.293
551 1HD ARG 68 2HD ARG 68 10.744 2.168 -6.611
552 2HD ARG 68 1HD ARG 68 9.901 1.504 -8.010
553 HE ARG 68 HE ARG 68 9.166 3.756 -8.528
554 1HH1 ARG 68 1HH1 ARG 68 11.725 3.447 -6.181
555 2HH1 ARG 68 2HH1 ARG 68 12.310 5.060 -6.417
556 1HH2 ARG 68 1HH2 ARG 68 9.933 5.880 -8.846
557 2HH2 ARG 68 2HH2 ARG 68 11.292 6.443 -7.932
558 H PHE 69 H PHE 69 4.374 3.443 -5.492
559 HA PHE 69 HA PHE 69 3.179 4.367 -7.980
560 1HB PHE 69 2HB PHE 69 0.907 3.717 -7.339
561 2HB PHE 69 1HB PHE 69 1.948 2.311 -7.510
562 HD1 PHE 69 1HD PHE 69 2.974 1.352 -5.332
563 HD2 PHE 69 2HD PHE 69 -0.348 4.014 -5.422
564 HE1 PHE 69 1HE PHE 69 2.314 0.598 -3.089
565 HE2 PHE 69 2HE PHE 69 -1.007 3.267 -3.172
566 HZ PHE 69 HZ PHE 69 0.325 1.559 -2.004
567 H ASP 70 H ASP 70 2.532 6.430 -7.875
568 HA ASP 70 HA ASP 70 2.597 7.761 -5.266
569 1HB ASP 70 2HB ASP 70 2.391 9.016 -8.013
570 2HB ASP 70 1HB ASP 70 2.769 9.835 -6.499
571 H PHE 71 H PHE 71 0.824 8.862 -4.403
572 HA PHE 71 HA PHE 71 -1.624 9.010 -5.959
573 1HB PHE 71 2HB PHE 71 -2.955 7.697 -4.419
574 2HB PHE 71 1HB PHE 71 -1.619 6.719 -5.026
575 HD1 PHE 71 1HD PHE 71 0.357 6.306 -3.567
576 HD2 PHE 71 2HD PHE 71 -3.194 8.147 -2.115
577 HE1 PHE 71 1HE PHE 71 1.045 5.803 -1.260
578 HE2 PHE 71 2HE PHE 71 -2.511 7.649 0.196
579 HZ PHE 71 HZ PHE 71 -0.388 6.476 0.625
580 H THR 72 H THR 72 -3.361 10.109 -4.869
581 HA THR 72 HA THR 72 -2.734 11.633 -2.483
582 HB THR 72 HB THR 72 -3.680 13.715 -3.814
583 HG1 THR 72 1HG THR 72 -3.922 12.876 -5.834
584 1HG2 THR 72 1HG2 THR 72 -1.622 14.553 -3.487
585 2HG2 THR 72 2HG2 THR 72 -0.872 13.358 -4.544
586 3HG2 THR 72 3HG2 THR 72 -1.213 12.956 -2.862
587 H THR 73 H THR 73 -4.725 12.948 -1.814
588 HA THR 73 HA THR 73 -7.075 11.271 -2.299
589 HB THR 73 HB THR 73 -6.496 11.615 0.035
590 HG1 THR 73 1HG THR 73 -8.762 11.570 -0.661
591 1HG2 THR 73 1HG2 THR 73 -5.471 13.582 0.459
592 2HG2 THR 73 2HG2 THR 73 -7.114 14.161 0.732
593 3HG2 THR 73 3HG2 THR 73 -6.336 14.426 -0.825
594 H THR 74 H THR 74 -6.173 14.712 -2.254
595 HA THR 74 HA THR 74 -8.354 15.224 -4.150
596 HB THR 74 HB THR 74 -9.429 16.105 -2.313
597 HG1 THR 74 1HG THR 74 -8.006 18.458 -2.527
598 1HG2 THR 74 1HG2 THR 74 -8.150 15.845 -0.446
599 2HG2 THR 74 2HG2 THR 74 -7.928 17.581 -0.656
600 3HG2 THR 74 3HG2 THR 74 -6.694 16.460 -1.226
601 H SER 75 H SER 75 -5.145 15.370 -3.485
602 HA SER 75 HA SER 75 -4.596 17.893 -4.820
603 1HB SER 75 2HB SER 75 -2.379 16.014 -4.238
604 2HB SER 75 1HB SER 75 -2.494 17.748 -3.944
605 HG SER 75 HG SER 75 -3.309 15.607 -2.351
606 H THR 76 H THR 76 -2.934 17.888 -6.597
607 HA THR 76 HA THR 76 -3.754 15.955 -8.617
608 HB THR 76 HB THR 76 -1.924 17.684 -9.803
609 HG1 THR 76 1HG THR 76 -2.632 19.744 -9.091
610 1HG2 THR 76 1HG2 THR 76 -4.699 17.029 -9.954
611 2HG2 THR 76 2HG2 THR 76 -3.650 17.693 -11.206
612 3HG2 THR 76 3HG2 THR 76 -4.514 18.775 -10.114
613 H SER 77 H SER 77 -2.658 14.075 -8.362
614 HA SER 77 HA SER 77 0.020 13.910 -9.224
615 1HB SER 77 2HB SER 77 -0.172 14.556 -6.516
616 2HB SER 77 1HB SER 77 0.136 12.819 -6.532
617 HG SER 77 HG SER 77 2.056 13.147 -7.427
618 H THR 78 H THR 78 -0.394 12.211 -10.498
619 HA THR 78 HA THR 78 -0.747 9.629 -9.353
620 HB THR 78 HB THR 78 -2.914 9.547 -11.105
621 HG1 THR 78 1HG THR 78 -4.169 11.265 -9.731
622 1HG2 THR 78 1HG2 THR 78 -2.484 9.377 -8.174
623 2HG2 THR 78 2HG2 THR 78 -3.171 8.194 -9.288
624 3HG2 THR 78 3HG2 THR 78 -4.148 9.554 -8.733
625 HA PRO 79 HA PRO 79 1.547 9.134 -13.186
626 1HB PRO 79 2HB PRO 79 2.016 6.459 -12.881
627 2HB PRO 79 1HB PRO 79 2.965 7.716 -12.079
628 1HG PRO 79 2HG PRO 79 0.703 6.074 -11.006
629 2HG PRO 79 1HG PRO 79 2.236 6.512 -10.228
630 1HD PRO 79 2HD PRO 79 -0.058 7.799 -9.663
631 2HD PRO 79 1HD PRO 79 1.504 8.644 -9.700
632 H GLY 80 H GLY 80 1.131 8.297 -15.220
633 1HA GLY 80 2HA GLY 80 -1.469 6.919 -15.495
634 2HA GLY 80 1HA GLY 80 -0.844 8.076 -16.661
635 H SER 81 H SER 81 1.894 6.889 -16.370
636 HA SER 81 HA SER 81 1.584 4.215 -17.448
637 1HB SER 81 2HB SER 81 3.280 5.344 -19.337
638 2HB SER 81 1HB SER 81 1.594 4.888 -19.594
639 HG SER 81 HG SER 81 2.732 7.392 -19.279
640 H ARG 82 H ARG 82 2.697 4.458 -15.166
641 HA ARG 82 HA ARG 82 4.546 3.997 -13.931
642 1HB ARG 82 2HB ARG 82 5.267 3.151 -16.633
643 2HB ARG 82 1HB ARG 82 6.662 3.601 -15.662
644 1HG ARG 82 2HG ARG 82 4.560 1.642 -14.770
645 2HG ARG 82 1HG ARG 82 6.064 1.187 -15.574
646 1HD ARG 82 2HD ARG 82 7.345 2.218 -13.768
647 2HD ARG 82 1HD ARG 82 5.847 2.696 -12.970
648 HE ARG 82 HE ARG 82 5.392 0.340 -12.612
649 1HH1 ARG 82 1HH1 ARG 82 8.632 1.177 -13.583
650 2HH1 ARG 82 2HH1 ARG 82 9.337 -0.265 -12.933
651 1HH2 ARG 82 1HH2 ARG 82 6.311 -1.560 -11.750
652 2HH2 ARG 82 2HH2 ARG 82 8.018 -1.820 -11.891
653 H SER 83 H SER 83 6.557 4.905 -13.193
654 HA SER 83 HA SER 83 6.696 7.728 -13.673
655 1HB SER 83 2HB SER 83 7.251 6.172 -11.513
656 2HB SER 83 1HB SER 83 8.877 6.463 -12.132
657 HG SER 83 HG SER 83 8.142 8.073 -10.632
658 H HIS 84 H HIS 84 8.752 8.847 -14.144
659 HA HIS 84 HA HIS 84 9.868 7.919 -16.571
660 1HB HIS 84 2HB HIS 84 9.624 10.336 -15.799
661 2HB HIS 84 1HB HIS 84 11.061 10.066 -14.820
662 HD2 HIS 84 2HD HIS 84 13.016 11.335 -16.138
663 HE1 HIS 84 1HE HIS 84 12.107 9.859 -19.999
664 HE2 HIS 84 2HE HIS 84 13.629 11.380 -18.657
665 H HIS 85 H HIS 85 11.159 6.200 -16.668
666 HA HIS 85 HA HIS 85 12.880 5.439 -14.498
667 1HB HIS 85 2HB HIS 85 12.902 4.314 -17.300
668 2HB HIS 85 1HB HIS 85 13.450 3.532 -15.821
669 HD2 HIS 85 2HD HIS 85 11.534 2.218 -14.381
670 HE1 HIS 85 1HE HIS 85 8.312 3.207 -16.942
671 HE2 HIS 85 2HE HIS 85 9.089 1.686 -15.067
672 H HIS 86 H HIS 86 14.352 7.119 -14.222
673 HA HIS 86 HA HIS 86 15.862 8.272 -16.312
674 1HB HIS 86 2HB HIS 86 15.492 9.267 -14.029
675 2HB HIS 86 1HB HIS 86 16.656 8.104 -13.400
676 HD2 HIS 86 2HD HIS 86 16.792 10.780 -16.320
677 HE1 HIS 86 1HE HIS 86 20.401 10.808 -14.108
678 HE2 HIS 86 2HE HIS 86 19.067 11.962 -15.930
679 H HIS 87 H HIS 87 17.302 6.396 -13.652
680 HA HIS 87 HA HIS 87 18.546 4.511 -15.414
681 1HB HIS 87 2HB HIS 87 19.857 6.936 -15.221
682 2HB HIS 87 1HB HIS 87 20.684 5.945 -14.024
683 HD2 HIS 87 2HD HIS 87 19.438 4.337 -17.347
684 HE1 HIS 87 1HE HIS 87 23.663 4.569 -17.403
685 HE2 HIS 87 2HE HIS 87 21.621 3.537 -18.496
686 H HIS 88 H HIS 88 18.168 5.951 -12.268
687 HA HIS 88 HA HIS 88 19.028 3.416 -11.034
688 1HB HIS 88 2HB HIS 88 20.308 5.633 -10.539
689 2HB HIS 88 1HB HIS 88 18.916 6.013 -9.529
690 HD2 HIS 88 2HD HIS 88 22.190 4.987 -8.741
691 HE1 HIS 88 1HE HIS 88 19.861 2.255 -6.501
692 HE2 HIS 88 2HE HIS 88 22.123 3.381 -6.706
693 H HIS 89 H HIS 89 17.138 2.327 -10.854
694 HA HIS 89 HA HIS 89 14.818 3.701 -9.711
695 1HB HIS 89 2HB HIS 89 14.634 0.855 -10.542
696 2HB HIS 89 1HB HIS 89 13.477 2.165 -10.749
697 HD2 HIS 89 2HD HIS 89 14.087 3.918 -12.945
698 HE1 HIS 89 1HE HIS 89 16.487 0.996 -14.844
699 HE2 HIS 89 2HE HIS 89 15.136 3.115 -15.177
Start of MODEL 33
1 1H MET 1 1HT MET 1 -13.869 -23.753 -5.537
2 2H MET 1 2HT MET 1 -13.474 -24.345 -4.003
3 3H MET 1 3HT MET 1 -12.833 -22.872 -4.532
4 HA MET 1 HA MET 1 -15.606 -23.493 -3.742
5 1HB MET 1 2HB MET 1 -13.319 -22.096 -2.632
6 2HB MET 1 1HB MET 1 -14.720 -21.040 -2.723
7 1HG MET 1 2HG MET 1 -15.814 -22.133 -1.102
8 2HG MET 1 1HG MET 1 -15.262 -23.714 -1.652
9 1HE MET 1 1HE MET 1 -14.556 -20.510 -0.064
10 2HE MET 1 2HE MET 1 -12.804 -20.580 0.135
11 3HE MET 1 3HE MET 1 -13.863 -20.968 1.492
12 H ARG 2 H ARG 2 -13.619 -20.859 -5.096
13 HA ARG 2 HA ARG 2 -15.939 -20.058 -6.719
14 1HB ARG 2 2HB ARG 2 -15.006 -17.666 -6.406
15 2HB ARG 2 1HB ARG 2 -15.946 -18.380 -5.102
16 1HG ARG 2 2HG ARG 2 -13.881 -18.964 -3.932
17 2HG ARG 2 1HG ARG 2 -12.940 -18.241 -5.239
18 1HD ARG 2 2HD ARG 2 -12.998 -16.428 -3.893
19 2HD ARG 2 1HD ARG 2 -14.568 -16.186 -4.659
20 HE ARG 2 HE ARG 2 -15.252 -17.674 -2.566
21 1HH1 ARG 2 1HH1 ARG 2 -13.140 -14.908 -2.776
22 2HH1 ARG 2 2HH1 ARG 2 -13.477 -14.368 -1.165
23 1HH2 ARG 2 1HH2 ARG 2 -15.701 -16.967 -0.446
24 2HH2 ARG 2 2HH2 ARG 2 -14.932 -15.538 0.160
25 H GLY 3 H GLY 3 -12.570 -20.653 -6.471
26 1HA GLY 3 2HA GLY 3 -11.967 -19.390 -9.032
27 2HA GLY 3 1HA GLY 3 -10.812 -20.160 -7.955
28 H SER 4 H SER 4 -13.177 -22.325 -8.010
29 HA SER 4 HA SER 4 -13.519 -24.330 -9.016
30 1HB SER 4 2HB SER 4 -13.642 -22.449 -11.054
31 2HB SER 4 1HB SER 4 -12.532 -23.669 -11.678
32 HG SER 4 HG SER 4 -14.953 -24.442 -10.475
33 H ASN 5 H ASN 5 -10.934 -23.492 -11.257
34 HA ASN 5 HA ASN 5 -9.545 -25.888 -10.898
35 1HB ASN 5 2HB ASN 5 -9.196 -23.440 -12.397
36 2HB ASN 5 1HB ASN 5 -7.653 -24.006 -11.763
37 1HD2 ASN 5 1HD2 ASN 5 -10.505 -25.783 -12.869
38 2HD2 ASN 5 2HD2 ASN 5 -9.688 -26.672 -14.104
39 H ALA 6 H ALA 6 -8.799 -22.645 -9.632
40 HA ALA 6 HA ALA 6 -7.149 -23.939 -7.558
41 1HB ALA 6 1HB ALA 6 -5.998 -22.483 -9.369
42 2HB ALA 6 2HB ALA 6 -5.551 -22.270 -7.676
43 3HB ALA 6 3HB ALA 6 -6.652 -21.128 -8.449
44 HA PRO 7 HA PRO 7 -10.266 -22.117 -4.898
45 1HB PRO 7 2HB PRO 7 -9.074 -22.810 -2.540
46 2HB PRO 7 1HB PRO 7 -10.049 -23.922 -3.508
47 1HG PRO 7 2HG PRO 7 -7.073 -23.636 -3.371
48 2HG PRO 7 1HG PRO 7 -8.055 -25.112 -3.415
49 1HD PRO 7 2HD PRO 7 -6.797 -24.169 -5.602
50 2HD PRO 7 1HD PRO 7 -8.372 -24.983 -5.703
51 H GLN 8 H GLN 8 -7.593 -21.846 -2.731
52 HA GLN 8 HA GLN 8 -7.874 -18.968 -2.697
53 1HB GLN 8 2HB GLN 8 -6.138 -19.164 -0.843
54 2HB GLN 8 1HB GLN 8 -7.694 -19.929 -0.550
55 1HG GLN 8 2HG GLN 8 -6.750 -22.097 -1.126
56 2HG GLN 8 1HG GLN 8 -5.195 -21.339 -1.459
57 1HE2 GLN 8 1HE2 GLN 8 -5.418 -23.387 0.349
58 2HE2 GLN 8 2HE2 GLN 8 -5.134 -22.785 1.943
59 HA PRO 9 HA PRO 9 -4.410 -18.107 -5.298
60 1HB PRO 9 2HB PRO 9 -3.908 -15.625 -3.865
61 2HB PRO 9 1HB PRO 9 -4.571 -15.858 -5.483
62 1HG PRO 9 2HG PRO 9 -6.038 -14.933 -3.393
63 2HG PRO 9 1HG PRO 9 -6.736 -15.854 -4.736
64 1HD PRO 9 2HD PRO 9 -6.004 -16.771 -1.983
65 2HD PRO 9 1HD PRO 9 -7.413 -17.201 -2.978
66 H SER 10 H SER 10 -2.223 -16.492 -4.627
67 HA SER 10 HA SER 10 -0.845 -18.132 -2.603
68 1HB SER 10 2HB SER 10 -0.130 -17.449 -5.372
69 2HB SER 10 1HB SER 10 1.172 -17.205 -4.207
70 HG SER 10 HG SER 10 0.728 -19.398 -3.496
71 H HIS 11 H HIS 11 -1.742 -16.322 -1.226
72 HA HIS 11 HA HIS 11 -0.766 -13.691 -1.448
73 1HB HIS 11 2HB HIS 11 -1.603 -13.351 0.777
74 2HB HIS 11 1HB HIS 11 -2.729 -14.411 -0.064
75 HD2 HIS 11 2HD HIS 11 -1.447 -14.188 3.300
76 HE1 HIS 11 1HE HIS 11 -1.467 -18.346 2.516
77 HE2 HIS 11 2HE HIS 11 -1.140 -16.565 4.291
78 H ILE 12 H ILE 12 0.684 -12.620 0.115
79 HA ILE 12 HA ILE 12 3.114 -14.214 0.469
80 HB ILE 12 HB ILE 12 3.397 -12.140 -0.759
81 1HG1 ILE 12 2HG1 ILE 12 4.790 -11.006 1.403
82 2HG1 ILE 12 1HG1 ILE 12 4.760 -12.738 1.722
83 1HG2 ILE 12 1HG2 ILE 12 1.572 -10.834 0.021
84 2HG2 ILE 12 2HG2 ILE 12 3.048 -9.956 0.424
85 3HG2 ILE 12 3HG2 ILE 12 2.183 -10.851 1.674
86 1HD1 ILE 12 1HD1 ILE 12 6.656 -11.590 0.278
87 2HD1 ILE 12 2HD1 ILE 12 5.489 -11.878 -1.012
88 3HD1 ILE 12 3HD1 ILE 12 6.086 -13.227 -0.045
89 H SER 13 H SER 13 4.301 -14.167 2.437
90 HA SER 13 HA SER 13 2.890 -14.603 4.759
91 1HB SER 13 2HB SER 13 5.493 -14.830 4.091
92 2HB SER 13 1HB SER 13 5.576 -13.387 5.104
93 HG SER 13 HG SER 13 5.675 -15.706 6.034
94 H LYS 14 H LYS 14 4.444 -11.596 3.686
95 HA LYS 14 HA LYS 14 2.478 -10.014 5.043
96 1HB LYS 14 2HB LYS 14 4.112 -8.788 6.468
97 2HB LYS 14 1HB LYS 14 3.856 -10.455 6.964
98 1HG LYS 14 2HG LYS 14 5.940 -11.060 5.729
99 2HG LYS 14 1HG LYS 14 6.215 -9.335 5.472
100 1HD LYS 14 2HD LYS 14 6.267 -8.971 7.881
101 2HD LYS 14 1HD LYS 14 5.944 -10.684 8.158
102 1HE LYS 14 2HE LYS 14 8.281 -9.931 6.477
103 2HE LYS 14 1HE LYS 14 8.398 -9.710 8.222
104 1HZ LYS 14 1HZ LYS 14 9.136 -11.841 8.021
105 2HZ LYS 14 2HZ LYS 14 8.175 -12.186 6.673
106 3HZ LYS 14 3HZ LYS 14 7.484 -12.150 8.216
107 H TYR 15 H TYR 15 2.404 -7.917 4.302
108 HA TYR 15 HA TYR 15 4.313 -7.237 2.159
109 1HB TYR 15 2HB TYR 15 1.480 -7.360 2.123
110 2HB TYR 15 1HB TYR 15 1.908 -5.654 2.056
111 HD1 TYR 15 1HD TYR 15 0.902 -8.105 0.031
112 HD2 TYR 15 2HD TYR 15 4.244 -5.498 0.415
113 HE1 TYR 15 1HE TYR 15 1.332 -8.311 -2.381
114 HE2 TYR 15 2HE TYR 15 4.684 -5.698 -1.996
115 HH TYR 15 HH TYR 15 2.679 -7.780 -4.063
116 H ILE 16 H ILE 16 5.277 -5.214 2.197
117 HA ILE 16 HA ILE 16 4.691 -3.594 4.584
118 HB ILE 16 HB ILE 16 7.231 -4.506 3.460
119 1HG1 ILE 16 2HG1 ILE 16 6.405 -4.914 5.772
120 2HG1 ILE 16 1HG1 ILE 16 7.990 -4.149 5.733
121 1HG2 ILE 16 1HG2 ILE 16 7.350 -2.225 2.605
122 2HG2 ILE 16 2HG2 ILE 16 8.500 -2.466 3.920
123 3HG2 ILE 16 3HG2 ILE 16 6.995 -1.593 4.213
124 1HD1 ILE 16 1HD1 ILE 16 5.416 -2.646 6.139
125 2HD1 ILE 16 2HD1 ILE 16 7.060 -2.035 6.326
126 3HD1 ILE 16 3HD1 ILE 16 6.434 -3.242 7.451
127 H LEU 17 H LEU 17 3.924 -1.629 4.263
128 HA LEU 17 HA LEU 17 4.148 -0.482 1.565
129 1HB LEU 17 2HB LEU 17 1.862 -1.032 2.741
130 2HB LEU 17 1HB LEU 17 2.163 0.475 3.585
131 HG LEU 17 HG LEU 17 2.535 0.829 0.745
132 1HD1 LEU 17 1HD1 LEU 17 0.782 -0.164 -0.181
133 2HD1 LEU 17 2HD1 LEU 17 -0.303 0.475 1.053
134 3HD1 LEU 17 3HD1 LEU 17 0.551 -1.043 1.330
135 1HD2 LEU 17 1HD2 LEU 17 1.093 2.061 3.007
136 2HD2 LEU 17 2HD2 LEU 17 0.441 2.371 1.397
137 3HD2 LEU 17 3HD2 LEU 17 2.111 2.797 1.770
138 H ARG 18 H ARG 18 5.627 1.037 1.420
139 HA ARG 18 HA ARG 18 6.105 2.769 3.747
140 1HB ARG 18 2HB ARG 18 7.968 2.101 1.461
141 2HB ARG 18 1HB ARG 18 8.343 3.179 2.797
142 1HG ARG 18 2HG ARG 18 8.663 1.479 4.266
143 2HG ARG 18 1HG ARG 18 7.491 0.426 3.475
144 1HD ARG 18 2HD ARG 18 10.333 0.486 3.196
145 2HD ARG 18 1HD ARG 18 9.174 -0.650 2.509
146 HE ARG 18 HE ARG 18 8.921 1.178 0.720
147 1HH1 ARG 18 1HH1 ARG 18 11.874 0.422 2.408
148 2HH1 ARG 18 2HH1 ARG 18 12.899 0.935 1.110
149 1HH2 ARG 18 1HH2 ARG 18 10.260 1.854 -0.995
150 2HH2 ARG 18 2HH2 ARG 18 11.981 1.749 -0.826
151 H TRP 19 H TRP 19 5.650 4.888 3.543
152 HA TRP 19 HA TRP 19 5.599 6.050 0.880
153 1HB TRP 19 2HB TRP 19 3.366 6.837 0.961
154 2HB TRP 19 1HB TRP 19 3.305 5.128 1.374
155 HD1 TRP 19 HD TRP 19 2.473 8.544 2.720
156 HE1 TRP 19 1HE TRP 19 1.323 8.304 5.011
157 HE3 TRP 19 3HE TRP 19 3.334 3.575 3.540
158 HZ2 TRP 19 2HZ TRP 19 0.846 6.272 6.917
159 HZ3 TRP 19 3HZ TRP 19 2.500 2.559 5.620
160 HH2 TRP 19 HH TRP 19 1.283 3.880 7.272
161 H ARG 20 H ARG 20 5.793 8.238 0.766
162 HA ARG 20 HA ARG 20 5.935 9.823 3.189
163 1HB ARG 20 2HB ARG 20 8.156 9.728 3.426
164 2HB ARG 20 1HB ARG 20 8.285 8.683 2.022
165 1HG ARG 20 2HG ARG 20 8.015 11.620 1.609
166 2HG ARG 20 1HG ARG 20 9.566 10.960 2.130
167 1HD ARG 20 2HD ARG 20 8.844 9.257 0.107
168 2HD ARG 20 1HD ARG 20 8.234 10.809 -0.465
169 HE ARG 20 HE ARG 20 11.035 10.456 0.376
170 1HH1 ARG 20 1HH1 ARG 20 8.644 11.515 -1.929
171 2HH1 ARG 20 2HH1 ARG 20 9.805 12.235 -2.994
172 1HH2 ARG 20 1HH2 ARG 20 12.567 11.404 -1.022
173 2HH2 ARG 20 2HH2 ARG 20 12.032 12.172 -2.479
174 HA PRO 21 HA PRO 21 4.253 12.903 0.520
175 1HB PRO 21 2HB PRO 21 5.978 14.836 1.976
176 2HB PRO 21 1HB PRO 21 4.227 14.848 1.735
177 1HG PRO 21 2HG PRO 21 5.263 14.198 4.098
178 2HG PRO 21 1HG PRO 21 3.850 13.345 3.452
179 1HD PRO 21 2HD PRO 21 6.691 12.455 3.574
180 2HD PRO 21 1HD PRO 21 5.206 11.522 3.823
181 H LYS 22 H LYS 22 5.005 12.782 -1.515
182 HA LYS 22 HA LYS 22 7.729 13.105 -2.247
183 1HB LYS 22 2HB LYS 22 5.208 12.527 -3.568
184 2HB LYS 22 1HB LYS 22 6.196 13.623 -4.523
185 1HG LYS 22 2HG LYS 22 8.055 12.039 -4.419
186 2HG LYS 22 1HG LYS 22 7.058 10.936 -3.468
187 1HD LYS 22 2HD LYS 22 6.128 10.109 -5.313
188 2HD LYS 22 1HD LYS 22 5.658 11.724 -5.850
189 1HE LYS 22 2HE LYS 22 8.502 10.914 -6.154
190 2HE LYS 22 1HE LYS 22 7.317 10.209 -7.252
191 1HZ LYS 22 1HZ LYS 22 6.924 12.192 -8.249
192 2HZ LYS 22 2HZ LYS 22 8.519 12.482 -7.766
193 3HZ LYS 22 3HZ LYS 22 7.234 13.102 -6.856
194 H ASN 23 H ASN 23 4.990 15.258 -2.001
195 HA ASN 23 HA ASN 23 6.295 17.452 -3.339
196 1HB ASN 23 2HB ASN 23 3.779 17.029 -3.259
197 2HB ASN 23 1HB ASN 23 3.834 17.605 -1.596
198 1HD2 ASN 23 1HD2 ASN 23 5.484 18.701 -4.536
199 2HD2 ASN 23 2HD2 ASN 23 4.893 20.324 -4.467
200 H SER 24 H SER 24 6.233 16.153 -0.182
201 HA SER 24 HA SER 24 7.932 18.307 0.776
202 1HB SER 24 2HB SER 24 5.188 17.774 1.800
203 2HB SER 24 1HB SER 24 6.438 18.114 2.996
204 HG SER 24 HG SER 24 5.497 19.750 0.901
205 H VAL 25 H VAL 25 9.331 16.386 0.427
206 HA VAL 25 HA VAL 25 9.231 13.975 1.697
207 HB VAL 25 HB VAL 25 11.654 13.882 1.596
208 1HG1 VAL 25 1HG1 VAL 25 11.559 15.260 -0.860
209 2HG1 VAL 25 2HG1 VAL 25 9.946 14.605 -0.579
210 3HG1 VAL 25 3HG1 VAL 25 11.347 13.532 -0.574
211 1HG2 VAL 25 1HG2 VAL 25 12.574 15.828 2.360
212 2HG2 VAL 25 2HG2 VAL 25 11.391 16.841 1.533
213 3HG2 VAL 25 3HG2 VAL 25 12.711 16.107 0.624
214 H GLY 26 H GLY 26 9.914 13.108 3.653
215 1HA GLY 26 2HA GLY 26 11.235 14.297 5.734
216 2HA GLY 26 1HA GLY 26 9.569 14.818 5.930
217 H ARG 27 H ARG 27 11.657 11.978 5.705
218 HA ARG 27 HA ARG 27 11.565 9.929 6.683
219 1HB ARG 27 2HB ARG 27 11.195 11.140 8.761
220 2HB ARG 27 1HB ARG 27 9.473 11.247 8.422
221 1HG ARG 27 2HG ARG 27 9.819 8.575 8.316
222 2HG ARG 27 1HG ARG 27 11.061 9.017 9.491
223 1HD ARG 27 2HD ARG 27 9.149 8.622 10.782
224 2HD ARG 27 1HD ARG 27 9.232 10.377 10.645
225 HE ARG 27 HE ARG 27 7.498 8.794 8.871
226 1HH1 ARG 27 1HH1 ARG 27 7.962 11.340 11.201
227 2HH1 ARG 27 2HH1 ARG 27 6.357 11.965 11.030
228 1HH2 ARG 27 1HH2 ARG 27 5.383 9.607 8.636
229 2HH2 ARG 27 2HH2 ARG 27 4.888 10.978 9.572
230 H TRP 28 H TRP 28 10.471 7.964 6.518
231 HA TRP 28 HA TRP 28 8.038 8.076 4.879
232 1HB TRP 28 2HB TRP 28 10.105 5.907 5.286
233 2HB TRP 28 1HB TRP 28 8.610 5.660 4.392
234 HD1 TRP 28 HD TRP 28 11.617 8.127 4.230
235 HE1 TRP 28 1HE TRP 28 12.150 8.548 1.747
236 HE3 TRP 28 3HE TRP 28 7.911 5.312 2.116
237 HZ2 TRP 28 2HZ TRP 28 11.131 7.785 -0.777
238 HZ3 TRP 28 3HZ TRP 28 7.756 5.211 -0.338
239 HH2 TRP 28 HH TRP 28 9.333 6.423 -1.753
240 H LYS 29 H LYS 29 6.831 5.761 5.217
241 HA LYS 29 HA LYS 29 6.466 5.276 8.082
242 1HB LYS 29 2HB LYS 29 4.544 6.566 6.296
243 2HB LYS 29 1HB LYS 29 3.881 5.150 7.100
244 1HG LYS 29 2HG LYS 29 5.253 6.605 9.072
245 2HG LYS 29 1HG LYS 29 4.325 7.776 8.135
246 1HD LYS 29 2HD LYS 29 2.292 6.738 8.627
247 2HD LYS 29 1HD LYS 29 3.072 5.229 9.104
248 1HE LYS 29 2HE LYS 29 2.848 5.941 11.207
249 2HE LYS 29 1HE LYS 29 4.145 7.078 10.843
250 1HZ LYS 29 1HZ LYS 29 2.119 8.099 11.819
251 2HZ LYS 29 2HZ LYS 29 1.270 7.675 10.419
252 3HZ LYS 29 3HZ LYS 29 2.566 8.758 10.326
253 H GLU 30 H GLU 30 5.493 3.196 8.545
254 HA GLU 30 HA GLU 30 5.550 1.377 6.228
255 1HB GLU 30 2HB GLU 30 6.193 -0.147 8.495
256 2HB GLU 30 1HB GLU 30 7.250 0.291 7.162
257 1HG GLU 30 2HG GLU 30 8.508 1.192 8.775
258 2HG GLU 30 1HG GLU 30 7.379 2.540 8.649
259 H ALA 31 H ALA 31 4.014 -0.124 6.034
260 HA ALA 31 HA ALA 31 2.131 -0.608 8.219
261 1HB ALA 31 1HB ALA 31 1.371 1.236 6.513
262 2HB ALA 31 2HB ALA 31 0.231 0.013 7.075
263 3HB ALA 31 3HB ALA 31 0.997 -0.155 5.495
264 H THR 32 H THR 32 2.265 -2.755 8.489
265 HA THR 32 HA THR 32 2.851 -4.448 6.194
266 HB THR 32 HB THR 32 2.534 -5.546 8.955
267 HG1 THR 32 1HG THR 32 4.942 -5.000 9.017
268 1HG2 THR 32 1HG2 THR 32 4.405 -6.154 6.660
269 2HG2 THR 32 2HG2 THR 32 2.967 -7.075 7.096
270 3HG2 THR 32 3HG2 THR 32 4.345 -7.022 8.194
271 H ILE 33 H ILE 33 1.423 -5.633 5.167
272 HA ILE 33 HA ILE 33 -1.028 -6.506 6.517
273 HB ILE 33 HB ILE 33 -1.154 -5.500 3.686
274 1HG1 ILE 33 2HG1 ILE 33 -2.283 -3.739 5.759
275 2HG1 ILE 33 1HG1 ILE 33 -0.524 -3.807 5.742
276 1HG2 ILE 33 1HG2 ILE 33 -3.415 -5.745 3.861
277 2HG2 ILE 33 2HG2 ILE 33 -3.425 -5.452 5.600
278 3HG2 ILE 33 3HG2 ILE 33 -2.893 -7.011 4.971
279 1HD1 ILE 33 1HD1 ILE 33 -1.297 -3.527 3.071
280 2HD1 ILE 33 2HD1 ILE 33 -0.552 -2.315 4.115
281 3HD1 ILE 33 3HD1 ILE 33 -2.308 -2.414 3.992
282 HA PRO 34 HA PRO 34 0.818 -10.168 4.591
283 1HB PRO 34 2HB PRO 34 -1.384 -11.534 5.999
284 2HB PRO 34 1HB PRO 34 0.359 -11.808 6.093
285 1HG PRO 34 2HG PRO 34 -0.986 -10.649 8.103
286 2HG PRO 34 1HG PRO 34 0.668 -10.161 7.685
287 1HD PRO 34 2HD PRO 34 -1.925 -8.812 7.044
288 2HD PRO 34 1HD PRO 34 -0.380 -8.098 7.540
289 H GLY 35 H GLY 35 0.363 -10.247 2.485
290 1HA GLY 35 2HA GLY 35 -0.770 -10.556 0.514
291 2HA GLY 35 1HA GLY 35 -1.607 -11.814 1.404
292 H HIS 36 H HIS 36 -1.931 -8.497 2.398
293 HA HIS 36 HA HIS 36 -3.703 -7.074 2.444
294 1HB HIS 36 2HB HIS 36 -3.340 -7.662 -0.187
295 2HB HIS 36 1HB HIS 36 -5.014 -8.159 0.034
296 HD2 HIS 36 2HD HIS 36 -4.435 -5.218 2.278
297 HE1 HIS 36 1HE HIS 36 -5.778 -3.648 -1.418
298 HE2 HIS 36 2HE HIS 36 -5.153 -3.091 0.974
299 H LEU 37 H LEU 37 -5.205 -7.326 3.935
300 HA LEU 37 HA LEU 37 -6.681 -9.796 4.182
301 1HB LEU 37 2HB LEU 37 -6.574 -7.250 5.784
302 2HB LEU 37 1HB LEU 37 -7.744 -8.508 6.132
303 HG LEU 37 HG LEU 37 -6.011 -10.069 6.709
304 1HD1 LEU 37 1HD1 LEU 37 -4.417 -9.143 4.932
305 2HD1 LEU 37 2HD1 LEU 37 -3.720 -9.725 6.443
306 3HD1 LEU 37 3HD1 LEU 37 -3.916 -7.992 6.170
307 1HD2 LEU 37 1HD2 LEU 37 -5.483 -7.363 7.930
308 2HD2 LEU 37 2HD2 LEU 37 -4.958 -8.907 8.602
309 3HD2 LEU 37 3HD2 LEU 37 -6.680 -8.542 8.468
310 H ASN 38 H ASN 38 -7.253 -6.514 3.146
311 HA ASN 38 HA ASN 38 -9.493 -7.141 1.588
312 1HB ASN 38 2HB ASN 38 -11.331 -6.288 2.829
313 2HB ASN 38 1HB ASN 38 -10.482 -7.367 3.929
314 1HD2 ASN 38 1HD2 ASN 38 -8.316 -5.464 4.400
315 2HD2 ASN 38 2HD2 ASN 38 -8.970 -4.245 5.435
316 H SER 39 H SER 39 -10.838 -4.549 2.003
317 HA SER 39 HA SER 39 -9.030 -2.954 0.436
318 1HB SER 39 2HB SER 39 -11.249 -2.646 -0.226
319 2HB SER 39 1HB SER 39 -11.843 -2.604 1.433
320 HG SER 39 HG SER 39 -11.814 -0.526 0.454
321 H TYR 40 H TYR 40 -7.338 -2.121 1.479
322 HA TYR 40 HA TYR 40 -7.844 -0.699 4.007
323 1HB TYR 40 2HB TYR 40 -6.433 -2.610 4.422
324 2HB TYR 40 1HB TYR 40 -5.364 -2.174 3.095
325 HD1 TYR 40 1HD TYR 40 -6.481 -1.210 6.480
326 HD2 TYR 40 2HD TYR 40 -3.610 -0.596 3.402
327 HE1 TYR 40 1HE TYR 40 -5.088 0.077 8.046
328 HE2 TYR 40 2HE TYR 40 -2.209 0.691 4.959
329 HH TYR 40 HH TYR 40 -2.882 2.119 7.291
330 H THR 41 H THR 41 -7.601 1.414 3.931
331 HA THR 41 HA THR 41 -5.883 2.567 1.830
332 HB THR 41 HB THR 41 -8.051 4.234 2.980
333 HG1 THR 41 1HG THR 41 -8.502 1.838 1.683
334 1HG2 THR 41 1HG2 THR 41 -6.843 5.346 1.347
335 2HG2 THR 41 2HG2 THR 41 -8.208 4.718 0.424
336 3HG2 THR 41 3HG2 THR 41 -6.649 3.899 0.358
337 H ILE 42 H ILE 42 -4.502 4.203 2.372
338 HA ILE 42 HA ILE 42 -3.987 4.553 5.216
339 HB ILE 42 HB ILE 42 -2.434 5.329 2.752
340 1HG1 ILE 42 2HG1 ILE 42 -2.415 2.950 3.530
341 2HG1 ILE 42 1HG1 ILE 42 -0.830 3.712 3.513
342 1HG2 ILE 42 1HG2 ILE 42 -0.801 5.713 4.980
343 2HG2 ILE 42 2HG2 ILE 42 -2.321 6.518 5.368
344 3HG2 ILE 42 3HG2 ILE 42 -1.444 6.950 3.900
345 1HD1 ILE 42 1HD1 ILE 42 -1.079 2.373 5.494
346 2HD1 ILE 42 2HD1 ILE 42 -2.562 3.223 5.924
347 3HD1 ILE 42 3HD1 ILE 42 -1.020 4.078 5.941
348 H LYS 43 H LYS 43 -4.467 6.341 6.340
349 HA LYS 43 HA LYS 43 -5.461 8.673 4.841
350 1HB LYS 43 2HB LYS 43 -6.293 7.459 7.452
351 2HB LYS 43 1HB LYS 43 -6.581 9.167 7.147
352 1HG LYS 43 2HG LYS 43 -7.464 7.742 4.872
353 2HG LYS 43 1HG LYS 43 -8.099 6.920 6.299
354 1HD LYS 43 2HD LYS 43 -9.102 8.953 7.092
355 2HD LYS 43 1HD LYS 43 -8.328 9.888 5.810
356 1HE LYS 43 2HE LYS 43 -9.627 8.082 4.317
357 2HE LYS 43 1HE LYS 43 -10.701 8.121 5.716
358 1HZ LYS 43 1HZ LYS 43 -10.262 10.736 5.253
359 2HZ LYS 43 2HZ LYS 43 -11.598 9.870 4.681
360 3HZ LYS 43 3HZ LYS 43 -10.257 10.114 3.680
361 H GLY 44 H GLY 44 -5.052 10.783 5.758
362 1HA GLY 44 2HA GLY 44 -3.824 11.960 7.613
363 2HA GLY 44 1HA GLY 44 -2.515 10.836 7.275
364 H LEU 45 H LEU 45 -4.341 11.981 4.603
365 HA LEU 45 HA LEU 45 -2.188 13.872 3.928
366 1HB LEU 45 2HB LEU 45 -3.713 12.433 1.786
367 2HB LEU 45 1HB LEU 45 -2.113 13.139 1.730
368 HG LEU 45 HG LEU 45 -1.389 11.255 3.296
369 1HD1 LEU 45 1HD1 LEU 45 -3.108 9.252 2.533
370 2HD1 LEU 45 2HD1 LEU 45 -4.200 10.584 2.917
371 3HD1 LEU 45 3HD1 LEU 45 -3.050 10.012 4.124
372 1HD2 LEU 45 1HD2 LEU 45 -1.085 11.489 0.747
373 2HD2 LEU 45 2HD2 LEU 45 -2.332 10.246 0.643
374 3HD2 LEU 45 3HD2 LEU 45 -0.823 9.912 1.493
375 H LYS 46 H LYS 46 -3.056 15.298 1.933
376 HA LYS 46 HA LYS 46 -5.834 16.088 2.445
377 1HB LYS 46 2HB LYS 46 -5.121 18.482 2.514
378 2HB LYS 46 1HB LYS 46 -4.551 17.534 3.882
379 1HG LYS 46 2HG LYS 46 -2.524 18.320 3.453
380 2HG LYS 46 1HG LYS 46 -2.521 17.321 2.001
381 1HD LYS 46 2HD LYS 46 -1.996 19.473 1.256
382 2HD LYS 46 1HD LYS 46 -3.707 19.277 0.872
383 1HE LYS 46 2HE LYS 46 -3.542 20.313 3.495
384 2HE LYS 46 1HE LYS 46 -2.438 21.255 2.495
385 1HZ LYS 46 1HZ LYS 46 -5.354 20.903 2.190
386 2HZ LYS 46 2HZ LYS 46 -4.396 21.399 0.887
387 3HZ LYS 46 3HZ LYS 46 -4.466 22.340 2.291
388 HA PRO 47 HA PRO 47 -6.221 16.738 -1.892
389 1HB PRO 47 2HB PRO 47 -7.444 19.385 -1.500
390 2HB PRO 47 1HB PRO 47 -8.147 17.914 -2.174
391 1HG PRO 47 2HG PRO 47 -8.866 18.849 0.240
392 2HG PRO 47 1HG PRO 47 -8.784 17.113 -0.108
393 1HD PRO 47 2HD PRO 47 -6.837 18.845 1.362
394 2HD PRO 47 1HD PRO 47 -7.376 17.193 1.728
395 H GLY 48 H GLY 48 -4.319 17.100 -2.923
396 1HA GLY 48 2HA GLY 48 -3.339 18.877 -4.355
397 2HA GLY 48 1HA GLY 48 -3.314 19.878 -2.914
398 H VAL 49 H VAL 49 -2.543 16.850 -1.887
399 HA VAL 49 HA VAL 49 0.334 17.332 -2.312
400 HB VAL 49 HB VAL 49 -0.325 17.777 0.024
401 1HG1 VAL 49 1HG1 VAL 49 -1.194 16.128 1.461
402 2HG1 VAL 49 2HG1 VAL 49 -0.918 14.844 0.284
403 3HG1 VAL 49 3HG1 VAL 49 -2.177 16.044 0.000
404 1HG2 VAL 49 1HG2 VAL 49 1.241 15.297 0.295
405 2HG2 VAL 49 2HG2 VAL 49 1.614 16.940 0.819
406 3HG2 VAL 49 3HG2 VAL 49 1.857 16.473 -0.866
407 H VAL 50 H VAL 50 1.587 15.662 -2.934
408 HA VAL 50 HA VAL 50 0.233 13.079 -3.328
409 HB VAL 50 HB VAL 50 1.597 14.698 -5.205
410 1HG1 VAL 50 1HG1 VAL 50 3.065 12.117 -4.682
411 2HG1 VAL 50 2HG1 VAL 50 3.709 13.742 -4.446
412 3HG1 VAL 50 3HG1 VAL 50 3.311 13.178 -6.069
413 1HG2 VAL 50 1HG2 VAL 50 0.986 11.843 -5.766
414 2HG2 VAL 50 2HG2 VAL 50 0.647 13.284 -6.730
415 3HG2 VAL 50 3HG2 VAL 50 -0.335 12.921 -5.311
416 H TYR 51 H TYR 51 1.163 11.246 -2.605
417 HA TYR 51 HA TYR 51 3.699 11.528 -1.140
418 1HB TYR 51 2HB TYR 51 1.281 9.776 -0.615
419 2HB TYR 51 1HB TYR 51 2.864 9.376 0.043
420 HD1 TYR 51 1HD TYR 51 3.115 9.943 2.245
421 HD2 TYR 51 2HD TYR 51 0.810 12.498 -0.255
422 HE1 TYR 51 1HE TYR 51 2.726 11.443 4.150
423 HE2 TYR 51 2HE TYR 51 0.406 14.004 1.646
424 HH TYR 51 HH TYR 51 0.817 14.421 3.787
425 H GLU 52 H GLU 52 4.794 9.244 -0.983
426 HA GLU 52 HA GLU 52 4.705 8.081 -3.704
427 1HB GLU 52 2HB GLU 52 6.846 9.355 -2.642
428 2HB GLU 52 1HB GLU 52 7.145 7.736 -2.026
429 1HG GLU 52 2HG GLU 52 6.480 7.478 -4.752
430 2HG GLU 52 1HG GLU 52 7.645 8.792 -4.616
431 H GLY 53 H GLY 53 4.233 5.920 -3.783
432 1HA GLY 53 2HA GLY 53 4.230 4.507 -1.189
433 2HA GLY 53 1HA GLY 53 3.035 4.237 -2.445
434 H GLN 54 H GLN 54 5.284 2.674 -0.953
435 HA GLN 54 HA GLN 54 6.122 1.183 -3.338
436 1HB GLN 54 2HB GLN 54 7.958 1.512 -0.977
437 2HB GLN 54 1HB GLN 54 8.349 0.959 -2.599
438 1HG GLN 54 2HG GLN 54 7.498 3.437 -3.164
439 2HG GLN 54 1HG GLN 54 8.111 3.694 -1.530
440 1HE2 GLN 54 1HE2 GLN 54 9.151 1.753 -4.319
441 2HE2 GLN 54 2HE2 GLN 54 10.771 2.350 -4.344
442 H LEU 55 H LEU 55 5.195 -0.770 -3.176
443 HA LEU 55 HA LEU 55 4.747 -1.892 -0.504
444 1HB LEU 55 2HB LEU 55 3.307 -1.997 -3.024
445 2HB LEU 55 1HB LEU 55 3.563 -3.596 -2.356
446 HG LEU 55 HG LEU 55 2.102 -1.291 -1.073
447 1HD1 LEU 55 1HD1 LEU 55 1.192 -3.162 -2.812
448 2HD1 LEU 55 2HD1 LEU 55 0.202 -2.364 -1.589
449 3HD1 LEU 55 3HD1 LEU 55 0.894 -3.956 -1.264
450 1HD2 LEU 55 1HD2 LEU 55 2.775 -2.095 0.897
451 2HD2 LEU 55 2HD2 LEU 55 3.468 -3.542 0.164
452 3HD2 LEU 55 3HD2 LEU 55 1.749 -3.487 0.552
453 H ILE 56 H ILE 56 6.405 -3.063 0.179
454 HA ILE 56 HA ILE 56 7.845 -4.756 -1.726
455 HB ILE 56 HB ILE 56 8.574 -3.848 1.060
456 1HG1 ILE 56 2HG1 ILE 56 10.568 -2.937 -0.394
457 2HG1 ILE 56 1HG1 ILE 56 9.417 -3.086 -1.718
458 1HG2 ILE 56 1HG2 ILE 56 9.539 -6.093 -0.509
459 2HG2 ILE 56 2HG2 ILE 56 9.824 -5.690 1.184
460 3HG2 ILE 56 3HG2 ILE 56 10.828 -4.970 -0.075
461 1HD1 ILE 56 1HD1 ILE 56 8.844 -1.002 -1.161
462 2HD1 ILE 56 2HD1 ILE 56 9.561 -1.130 0.445
463 3HD1 ILE 56 3HD1 ILE 56 7.942 -1.765 0.148
464 H SER 57 H SER 57 7.212 -6.812 -1.850
465 HA SER 57 HA SER 57 5.693 -8.023 0.287
466 1HB SER 57 2HB SER 57 4.921 -9.436 -1.292
467 2HB SER 57 1HB SER 57 5.697 -8.352 -2.446
468 HG SER 57 HG SER 57 7.564 -9.689 -2.297
469 H ILE 58 H ILE 58 6.571 -9.020 1.915
470 HA ILE 58 HA ILE 58 9.283 -10.116 1.654
471 HB ILE 58 HB ILE 58 7.858 -9.294 4.186
472 1HG1 ILE 58 2HG1 ILE 58 10.218 -7.858 3.021
473 2HG1 ILE 58 1HG1 ILE 58 8.599 -7.496 2.429
474 1HG2 ILE 58 1HG2 ILE 58 10.315 -10.752 3.642
475 2HG2 ILE 58 2HG2 ILE 58 9.403 -10.589 5.143
476 3HG2 ILE 58 3HG2 ILE 58 10.564 -9.346 4.676
477 1HD1 ILE 58 1HD1 ILE 58 8.925 -5.911 4.073
478 2HD1 ILE 58 2HD1 ILE 58 9.765 -7.039 5.138
479 3HD1 ILE 58 3HD1 ILE 58 8.018 -7.164 4.921
480 H GLN 59 H GLN 59 9.432 -12.228 1.572
481 HA GLN 59 HA GLN 59 7.255 -13.915 2.490
482 1HB GLN 59 2HB GLN 59 9.143 -13.990 0.379
483 2HB GLN 59 1HB GLN 59 9.475 -15.361 1.418
484 1HG GLN 59 2HG GLN 59 6.899 -14.692 0.034
485 2HG GLN 59 1HG GLN 59 7.967 -16.056 -0.290
486 1HE2 GLN 59 1HE2 GLN 59 7.864 -17.855 0.991
487 2HE2 GLN 59 2HE2 GLN 59 6.648 -18.099 2.192
488 H GLN 60 H GLN 60 8.371 -16.186 3.284
489 HA GLN 60 HA GLN 60 9.231 -15.668 5.905
490 1HB GLN 60 2HB GLN 60 9.762 -18.268 4.489
491 2HB GLN 60 1HB GLN 60 9.392 -17.999 6.187
492 1HG GLN 60 2HG GLN 60 7.169 -17.009 4.934
493 2HG GLN 60 1HG GLN 60 7.611 -18.378 3.915
494 1HE2 GLN 60 1HE2 GLN 60 7.049 -20.349 4.553
495 2HE2 GLN 60 2HE2 GLN 60 6.425 -20.759 6.112
496 H TYR 61 H TYR 61 10.978 -15.722 2.969
497 HA TYR 61 HA TYR 61 13.527 -16.089 4.380
498 1HB TYR 61 2HB TYR 61 14.465 -16.828 2.419
499 2HB TYR 61 1HB TYR 61 12.796 -17.313 2.147
500 HD1 TYR 61 1HD TYR 61 11.305 -15.534 0.903
501 HD2 TYR 61 2HD TYR 61 15.558 -15.607 0.786
502 HE1 TYR 61 1HE TYR 61 11.265 -14.218 -1.173
503 HE2 TYR 61 2HE TYR 61 15.530 -14.290 -1.290
504 HH TYR 61 HH TYR 61 13.517 -14.017 -3.271
505 H GLY 62 H GLY 62 11.509 -13.637 3.438
506 1HA GLY 62 2HA GLY 62 12.365 -11.398 4.122
507 2HA GLY 62 1HA GLY 62 13.775 -11.762 3.139
508 H HIS 63 H HIS 63 12.785 -9.488 2.480
509 HA HIS 63 HA HIS 63 10.562 -9.195 0.893
510 1HB HIS 63 2HB HIS 63 11.614 -7.252 -0.048
511 2HB HIS 63 1HB HIS 63 12.123 -7.376 1.632
512 HD2 HIS 63 2HD HIS 63 13.880 -5.848 -0.775
513 HE1 HIS 63 1HE HIS 63 16.554 -9.037 -0.005
514 HE2 HIS 63 2HE HIS 63 16.336 -6.674 -0.899
515 H GLN 64 H GLN 64 10.310 -9.061 -1.451
516 HA GLN 64 HA GLN 64 12.218 -10.295 -3.169
517 1HB GLN 64 2HB GLN 64 10.735 -12.226 -3.805
518 2HB GLN 64 1HB GLN 64 11.491 -12.347 -2.223
519 1HG GLN 64 2HG GLN 64 9.525 -12.144 -1.108
520 2HG GLN 64 1HG GLN 64 8.794 -11.136 -2.354
521 1HE2 GLN 64 1HE2 GLN 64 9.734 -14.426 -1.552
522 2HE2 GLN 64 2HE2 GLN 64 8.576 -15.203 -2.571
523 H GLU 65 H GLU 65 9.613 -8.347 -2.631
524 HA GLU 65 HA GLU 65 9.218 -7.967 -5.502
525 1HB GLU 65 2HB GLU 65 7.380 -9.414 -4.066
526 2HB GLU 65 1HB GLU 65 6.714 -7.790 -3.983
527 1HG GLU 65 2HG GLU 65 7.326 -7.944 -6.612
528 2HG GLU 65 1HG GLU 65 6.932 -9.627 -6.259
529 H VAL 66 H VAL 66 9.058 -5.861 -6.059
530 HA VAL 66 HA VAL 66 8.366 -3.912 -3.976
531 HB VAL 66 HB VAL 66 10.723 -3.626 -5.843
532 1HG1 VAL 66 1HG1 VAL 66 10.114 -1.445 -5.627
533 2HG1 VAL 66 2HG1 VAL 66 11.018 -1.611 -4.121
534 3HG1 VAL 66 3HG1 VAL 66 9.259 -1.720 -4.109
535 1HG2 VAL 66 1HG2 VAL 66 11.835 -4.736 -4.262
536 2HG2 VAL 66 2HG2 VAL 66 10.451 -4.704 -3.171
537 3HG2 VAL 66 3HG2 VAL 66 11.569 -3.342 -3.216
538 H THR 67 H THR 67 7.031 -2.328 -4.632
539 HA THR 67 HA THR 67 6.699 -1.849 -7.509
540 HB THR 67 HB THR 67 4.315 -2.112 -5.680
541 HG1 THR 67 1HG THR 67 4.845 -4.186 -5.759
542 1HG2 THR 67 1HG2 THR 67 4.182 -0.802 -7.846
543 2HG2 THR 67 2HG2 THR 67 3.029 -2.125 -7.673
544 3HG2 THR 67 3HG2 THR 67 4.462 -2.330 -8.682
545 H ARG 68 H ARG 68 6.343 0.247 -8.053
546 HA ARG 68 HA ARG 68 6.174 2.180 -5.837
547 1HB ARG 68 2HB ARG 68 7.124 2.794 -8.630
548 2HB ARG 68 1HB ARG 68 7.383 3.728 -7.162
549 1HG ARG 68 2HG ARG 68 9.167 2.515 -6.551
550 2HG ARG 68 1HG ARG 68 8.451 0.998 -7.089
551 1HD ARG 68 2HD ARG 68 9.006 2.666 -9.351
552 2HD ARG 68 1HD ARG 68 10.453 2.510 -8.356
553 HE ARG 68 HE ARG 68 8.948 0.212 -9.433
554 1HH1 ARG 68 1HH1 ARG 68 11.933 1.770 -8.526
555 2HH1 ARG 68 2HH1 ARG 68 12.924 0.432 -9.003
556 1HH2 ARG 68 1HH2 ARG 68 10.247 -1.553 -10.059
557 2HH2 ARG 68 2HH2 ARG 68 11.966 -1.456 -9.874
558 H PHE 69 H PHE 69 4.620 3.759 -5.835
559 HA PHE 69 HA PHE 69 2.906 4.098 -8.143
560 1HB PHE 69 2HB PHE 69 0.986 3.939 -6.200
561 2HB PHE 69 1HB PHE 69 1.328 2.704 -7.404
562 HD1 PHE 69 1HD PHE 69 1.464 3.608 -3.912
563 HD2 PHE 69 2HD PHE 69 2.725 0.753 -6.803
564 HE1 PHE 69 1HE PHE 69 1.964 2.011 -2.110
565 HE2 PHE 69 2HE PHE 69 3.232 -0.850 -5.005
566 HZ PHE 69 HZ PHE 69 2.849 -0.220 -2.655
567 H ASP 70 H ASP 70 1.350 5.810 -7.955
568 HA ASP 70 HA ASP 70 2.538 8.039 -6.493
569 1HB ASP 70 2HB ASP 70 0.194 8.798 -7.980
570 2HB ASP 70 1HB ASP 70 1.869 9.253 -8.272
571 H PHE 71 H PHE 71 1.488 9.118 -4.921
572 HA PHE 71 HA PHE 71 -0.870 7.778 -3.818
573 1HB PHE 71 2HB PHE 71 1.648 7.867 -2.998
574 2HB PHE 71 1HB PHE 71 1.059 9.337 -2.210
575 HD1 PHE 71 1HD PHE 71 -0.944 9.108 -0.681
576 HD2 PHE 71 2HD PHE 71 1.337 5.844 -2.116
577 HE1 PHE 71 1HE PHE 71 -1.731 7.750 1.217
578 HE2 PHE 71 2HE PHE 71 0.561 4.453 -0.228
579 HZ PHE 71 HZ PHE 71 -0.964 5.432 1.440
580 H THR 72 H THR 72 -2.554 8.921 -3.108
581 HA THR 72 HA THR 72 -2.474 11.761 -2.625
582 HB THR 72 HB THR 72 -4.517 12.153 -4.070
583 HG1 THR 72 1HG THR 72 -3.885 9.532 -4.773
584 1HG2 THR 72 1HG2 THR 72 -2.352 11.465 -5.960
585 2HG2 THR 72 2HG2 THR 72 -1.909 12.522 -4.618
586 3HG2 THR 72 3HG2 THR 72 -3.207 12.989 -5.719
587 H THR 73 H THR 73 -4.736 12.479 -1.806
588 HA THR 73 HA THR 73 -5.913 10.213 -0.327
589 HB THR 73 HB THR 73 -4.940 11.570 1.313
590 HG1 THR 73 1HG THR 73 -7.518 12.718 1.278
591 1HG2 THR 73 1HG2 THR 73 -5.440 14.063 1.387
592 2HG2 THR 73 2HG2 THR 73 -6.006 13.893 -0.273
593 3HG2 THR 73 3HG2 THR 73 -4.331 13.520 0.128
594 H THR 74 H THR 74 -6.859 13.543 -1.193
595 HA THR 74 HA THR 74 -9.551 12.535 -1.790
596 HB THR 74 HB THR 74 -10.438 14.412 -0.912
597 HG1 THR 74 1HG THR 74 -9.752 15.789 -2.553
598 1HG2 THR 74 1HG2 THR 74 -9.367 15.092 1.005
599 2HG2 THR 74 2HG2 THR 74 -7.798 15.239 0.213
600 3HG2 THR 74 3HG2 THR 74 -8.431 13.646 0.631
601 H SER 75 H SER 75 -6.838 14.336 -3.052
602 HA SER 75 HA SER 75 -8.180 15.166 -5.454
603 1HB SER 75 2HB SER 75 -6.120 16.252 -4.265
604 2HB SER 75 1HB SER 75 -5.190 15.057 -5.169
605 HG SER 75 HG SER 75 -7.075 16.744 -6.429
606 H THR 76 H THR 76 -8.975 13.278 -6.388
607 HA THR 76 HA THR 76 -7.659 10.889 -6.805
608 HB THR 76 HB THR 76 -9.392 11.885 -9.014
609 HG1 THR 76 1HG THR 76 -10.462 11.204 -6.466
610 1HG2 THR 76 1HG2 THR 76 -9.842 9.703 -9.298
611 2HG2 THR 76 2HG2 THR 76 -10.064 9.427 -7.570
612 3HG2 THR 76 3HG2 THR 76 -8.441 9.431 -8.262
613 H SER 77 H SER 77 -5.639 10.755 -7.566
614 HA SER 77 HA SER 77 -5.131 11.404 -10.314
615 1HB SER 77 2HB SER 77 -4.672 13.511 -8.736
616 2HB SER 77 1HB SER 77 -3.141 12.669 -8.492
617 HG SER 77 HG SER 77 -2.572 13.123 -10.474
618 H THR 78 H THR 78 -4.491 9.359 -10.746
619 HA THR 78 HA THR 78 -1.992 8.471 -9.513
620 HB THR 78 HB THR 78 -3.657 6.166 -9.935
621 HG1 THR 78 1HG THR 78 -5.329 7.757 -9.414
622 1HG2 THR 78 1HG2 THR 78 -2.486 7.347 -7.411
623 2HG2 THR 78 2HG2 THR 78 -1.640 6.272 -8.525
624 3HG2 THR 78 3HG2 THR 78 -3.040 5.686 -7.628
625 HA PRO 79 HA PRO 79 -2.158 7.868 -14.135
626 1HB PRO 79 2HB PRO 79 0.268 9.450 -14.272
627 2HB PRO 79 1HB PRO 79 -1.305 9.775 -15.002
628 1HG PRO 79 2HG PRO 79 -0.256 11.263 -12.972
629 2HG PRO 79 1HG PRO 79 -1.997 11.068 -13.244
630 1HD PRO 79 2HD PRO 79 -0.217 9.676 -11.276
631 2HD PRO 79 1HD PRO 79 -1.865 10.306 -11.058
632 H GLY 80 H GLY 80 0.152 7.555 -15.495
633 1HA GLY 80 2HA GLY 80 1.895 6.110 -15.874
634 2HA GLY 80 1HA GLY 80 2.239 6.216 -14.154
635 H SER 81 H SER 81 0.881 4.332 -16.682
636 HA SER 81 HA SER 81 0.047 2.218 -16.787
637 1HB SER 81 2HB SER 81 1.707 2.028 -14.268
638 2HB SER 81 1HB SER 81 0.909 0.633 -14.994
639 HG SER 81 HG SER 81 2.363 0.600 -16.521
640 H ARG 82 H ARG 82 -0.571 0.559 -14.383
641 HA ARG 82 HA ARG 82 -2.381 0.055 -13.104
642 1HB ARG 82 2HB ARG 82 -1.730 2.836 -12.511
643 2HB ARG 82 1HB ARG 82 -3.425 2.469 -12.224
644 1HG ARG 82 2HG ARG 82 -2.910 1.502 -10.307
645 2HG ARG 82 1HG ARG 82 -1.854 0.360 -11.142
646 1HD ARG 82 2HD ARG 82 -0.049 2.063 -11.073
647 2HD ARG 82 1HD ARG 82 -1.109 3.097 -10.117
648 HE ARG 82 HE ARG 82 -0.642 1.815 -8.284
649 1HH1 ARG 82 1HH1 ARG 82 0.295 0.068 -11.150
650 2HH1 ARG 82 2HH1 ARG 82 1.057 -1.217 -10.273
651 1HH2 ARG 82 1HH2 ARG 82 0.362 0.130 -7.123
652 2HH2 ARG 82 2HH2 ARG 82 1.093 -1.182 -7.984
653 H SER 83 H SER 83 -4.693 1.954 -12.753
654 HA SER 83 HA SER 83 -6.349 0.951 -14.774
655 1HB SER 83 2HB SER 83 -6.926 3.500 -13.269
656 2HB SER 83 1HB SER 83 -8.068 2.289 -13.852
657 HG SER 83 HG SER 83 -6.192 1.297 -12.114
658 H HIS 84 H HIS 84 -7.748 2.536 -16.149
659 HA HIS 84 HA HIS 84 -5.864 4.161 -17.712
660 1HB HIS 84 2HB HIS 84 -7.523 3.922 -19.554
661 2HB HIS 84 1HB HIS 84 -6.878 2.383 -18.995
662 HD2 HIS 84 2HD HIS 84 -10.214 4.406 -18.934
663 HE1 HIS 84 1HE HIS 84 -10.961 0.420 -17.727
664 HE2 HIS 84 2HE HIS 84 -11.998 2.694 -18.149
665 H HIS 85 H HIS 85 -6.376 6.242 -18.371
666 HA HIS 85 HA HIS 85 -8.869 7.474 -17.619
667 1HB HIS 85 2HB HIS 85 -6.525 7.693 -15.898
668 2HB HIS 85 1HB HIS 85 -7.103 9.266 -16.439
669 HD2 HIS 85 2HD HIS 85 -7.624 7.092 -13.553
670 HE1 HIS 85 1HE HIS 85 -11.391 8.908 -14.205
671 HE2 HIS 85 2HE HIS 85 -10.032 7.438 -12.651
672 H HIS 86 H HIS 86 -5.551 8.682 -18.089
673 HA HIS 86 HA HIS 86 -6.537 10.379 -20.262
674 1HB HIS 86 2HB HIS 86 -4.693 10.787 -18.162
675 2HB HIS 86 1HB HIS 86 -3.750 10.783 -19.649
676 HD2 HIS 86 2HD HIS 86 -7.334 12.318 -19.622
677 HE1 HIS 86 1HE HIS 86 -4.481 15.424 -19.977
678 HE2 HIS 86 2HE HIS 86 -6.953 14.874 -19.862
679 H HIS 87 H HIS 87 -5.718 7.378 -20.215
680 HA HIS 87 HA HIS 87 -3.705 7.444 -22.345
681 1HB HIS 87 2HB HIS 87 -4.797 5.023 -20.905
682 2HB HIS 87 1HB HIS 87 -3.363 5.101 -21.923
683 HD2 HIS 87 2HD HIS 87 -4.405 5.555 -18.281
684 HE1 HIS 87 1HE HIS 87 -0.390 6.840 -18.647
685 HE2 HIS 87 2HE HIS 87 -2.196 6.090 -17.031
686 H HIS 88 H HIS 88 -4.253 5.119 -23.674
687 HA HIS 88 HA HIS 88 -7.001 5.333 -24.657
688 1HB HIS 88 2HB HIS 88 -4.929 6.573 -25.992
689 2HB HIS 88 1HB HIS 88 -5.061 5.029 -26.828
690 HD2 HIS 88 2HD HIS 88 -7.978 4.534 -27.477
691 HE1 HIS 88 1HE HIS 88 -8.391 8.658 -28.325
692 HE2 HIS 88 2HE HIS 88 -9.515 6.388 -28.441
693 H HIS 89 H HIS 89 -7.886 3.395 -25.017
694 HA HIS 89 HA HIS 89 -6.096 1.060 -25.098
695 1HB HIS 89 2HB HIS 89 -8.358 1.621 -23.497
696 2HB HIS 89 1HB HIS 89 -8.838 0.346 -24.613
697 HD2 HIS 89 2HD HIS 89 -6.135 0.957 -21.831
698 HE1 HIS 89 1HE HIS 89 -6.626 -3.196 -22.474
699 HE2 HIS 89 2HE HIS 89 -5.627 -1.430 -20.953
Start of MODEL 34
1 1H MET 1 1HT MET 1 -13.142 -12.144 21.166
2 2H MET 1 2HT MET 1 -12.343 -11.469 22.495
3 3H MET 1 3HT MET 1 -11.496 -12.453 21.411
4 HA MET 1 HA MET 1 -12.539 -9.725 20.978
5 1HB MET 1 2HB MET 1 -10.095 -10.730 21.814
6 2HB MET 1 1HB MET 1 -9.843 -10.425 20.102
7 1HG MET 1 2HG MET 1 -10.579 -8.117 20.402
8 2HG MET 1 1HG MET 1 -10.831 -8.424 22.119
9 1HE MET 1 1HE MET 1 -8.744 -6.288 20.284
10 2HE MET 1 2HE MET 1 -7.589 -6.080 21.601
11 3HE MET 1 3HE MET 1 -9.320 -6.059 21.935
12 H ARG 2 H ARG 2 -13.536 -9.427 19.101
13 HA ARG 2 HA ARG 2 -12.927 -11.209 16.852
14 1HB ARG 2 2HB ARG 2 -15.328 -10.057 17.864
15 2HB ARG 2 1HB ARG 2 -15.062 -9.417 16.249
16 1HG ARG 2 2HG ARG 2 -16.401 -11.364 16.040
17 2HG ARG 2 1HG ARG 2 -14.788 -11.767 15.449
18 1HD ARG 2 2HD ARG 2 -14.371 -12.595 17.863
19 2HD ARG 2 1HD ARG 2 -16.128 -12.590 17.999
20 HE ARG 2 HE ARG 2 -15.195 -13.989 15.682
21 1HH1 ARG 2 1HH1 ARG 2 -15.796 -14.257 19.105
22 2HH1 ARG 2 2HH1 ARG 2 -16.000 -15.977 19.063
23 1HH2 ARG 2 1HH2 ARG 2 -15.459 -16.251 15.620
24 2HH2 ARG 2 2HH2 ARG 2 -15.808 -17.110 17.084
25 H GLY 3 H GLY 3 -11.523 -10.514 15.390
26 1HA GLY 3 2HA GLY 3 -11.660 -7.744 14.474
27 2HA GLY 3 1HA GLY 3 -10.128 -8.279 15.150
28 H SER 4 H SER 4 -8.714 -8.695 13.599
29 HA SER 4 HA SER 4 -9.608 -10.247 11.267
30 1HB SER 4 2HB SER 4 -9.219 -7.669 10.916
31 2HB SER 4 1HB SER 4 -7.516 -8.129 10.922
32 HG SER 4 HG SER 4 -8.565 -8.127 8.818
33 H ASN 5 H ASN 5 -8.639 -12.152 11.618
34 HA ASN 5 HA ASN 5 -6.134 -12.447 12.926
35 1HB ASN 5 2HB ASN 5 -6.422 -14.748 12.662
36 2HB ASN 5 1HB ASN 5 -8.078 -14.151 12.686
37 1HD2 ASN 5 1HD2 ASN 5 -8.926 -13.562 10.446
38 2HD2 ASN 5 2HD2 ASN 5 -8.593 -14.702 9.191
39 H ALA 6 H ALA 6 -7.051 -11.836 9.671
40 HA ALA 6 HA ALA 6 -5.881 -11.567 7.738
41 1HB ALA 6 1HB ALA 6 -4.474 -9.972 8.518
42 2HB ALA 6 2HB ALA 6 -3.276 -11.236 8.235
43 3HB ALA 6 3HB ALA 6 -3.908 -10.968 9.859
44 HA PRO 7 HA PRO 7 -4.938 -16.044 7.442
45 1HB PRO 7 2HB PRO 7 -5.422 -16.047 4.711
46 2HB PRO 7 1HB PRO 7 -6.623 -16.395 5.958
47 1HG PRO 7 2HG PRO 7 -6.117 -13.857 4.468
48 2HG PRO 7 1HG PRO 7 -7.657 -14.584 4.963
49 1HD PRO 7 2HD PRO 7 -6.595 -12.511 6.292
50 2HD PRO 7 1HD PRO 7 -7.469 -13.805 7.139
51 H GLN 8 H GLN 8 -2.974 -16.845 7.133
52 HA GLN 8 HA GLN 8 -1.285 -15.957 4.962
53 1HB GLN 8 2HB GLN 8 0.629 -15.574 6.675
54 2HB GLN 8 1HB GLN 8 -0.527 -14.281 6.386
55 1HG GLN 8 2HG GLN 8 -1.790 -15.290 8.406
56 2HG GLN 8 1HG GLN 8 -0.250 -16.071 8.761
57 1HE2 GLN 8 1HE2 GLN 8 1.661 -14.500 8.647
58 2HE2 GLN 8 2HE2 GLN 8 1.433 -12.980 9.438
59 HA PRO 9 HA PRO 9 -0.836 -20.398 6.368
60 1HB PRO 9 2HB PRO 9 -1.510 -21.092 3.616
61 2HB PRO 9 1HB PRO 9 -2.300 -21.591 5.113
62 1HG PRO 9 2HG PRO 9 -3.463 -19.910 3.335
63 2HG PRO 9 1HG PRO 9 -3.771 -19.829 5.080
64 1HD PRO 9 2HD PRO 9 -1.967 -18.133 3.391
65 2HD PRO 9 1HD PRO 9 -3.062 -17.650 4.707
66 H SER 10 H SER 10 -0.283 -19.910 2.902
67 HA SER 10 HA SER 10 2.605 -20.224 3.351
68 1HB SER 10 2HB SER 10 1.313 -21.508 0.969
69 2HB SER 10 1HB SER 10 2.829 -21.917 1.772
70 HG SER 10 HG SER 10 0.338 -22.225 3.065
71 H HIS 11 H HIS 11 0.249 -18.282 2.241
72 HA HIS 11 HA HIS 11 1.239 -17.454 -0.284
73 1HB HIS 11 2HB HIS 11 -0.624 -16.207 1.726
74 2HB HIS 11 1HB HIS 11 -0.139 -15.339 0.272
75 HD2 HIS 11 2HD HIS 11 -0.653 -17.123 -2.126
76 HE1 HIS 11 1HE HIS 11 -4.212 -18.438 -0.254
77 HE2 HIS 11 2HE HIS 11 -2.867 -18.445 -2.403
78 H ILE 12 H ILE 12 0.933 -14.811 1.905
79 HA ILE 12 HA ILE 12 3.804 -14.282 1.604
80 HB ILE 12 HB ILE 12 1.789 -12.663 0.878
81 1HG1 ILE 12 2HG1 ILE 12 3.623 -10.785 1.574
82 2HG1 ILE 12 1HG1 ILE 12 4.595 -12.252 1.692
83 1HG2 ILE 12 1HG2 ILE 12 2.411 -11.888 3.721
84 2HG2 ILE 12 2HG2 ILE 12 0.842 -12.342 3.055
85 3HG2 ILE 12 3HG2 ILE 12 1.610 -10.835 2.554
86 1HD1 ILE 12 1HD1 ILE 12 4.951 -11.766 -0.489
87 2HD1 ILE 12 2HD1 ILE 12 3.389 -10.968 -0.685
88 3HD1 ILE 12 3HD1 ILE 12 3.485 -12.728 -0.666
89 H SER 13 H SER 13 5.043 -13.572 3.357
90 HA SER 13 HA SER 13 4.234 -14.624 5.906
91 1HB SER 13 2HB SER 13 6.697 -13.846 4.666
92 2HB SER 13 1HB SER 13 6.538 -12.963 6.183
93 HG SER 13 HG SER 13 7.544 -15.041 6.406
94 H LYS 14 H LYS 14 4.772 -11.469 4.453
95 HA LYS 14 HA LYS 14 2.743 -10.175 5.893
96 1HB LYS 14 2HB LYS 14 4.322 -8.590 7.172
97 2HB LYS 14 1HB LYS 14 4.014 -10.177 7.861
98 1HG LYS 14 2HG LYS 14 6.219 -10.641 6.315
99 2HG LYS 14 1HG LYS 14 6.500 -8.998 6.895
100 1HD LYS 14 2HD LYS 14 5.538 -10.885 8.934
101 2HD LYS 14 1HD LYS 14 7.134 -11.252 8.275
102 1HE LYS 14 2HE LYS 14 7.168 -8.507 8.707
103 2HE LYS 14 1HE LYS 14 6.319 -9.162 10.107
104 1HZ LYS 14 1HZ LYS 14 8.189 -10.041 10.904
105 2HZ LYS 14 2HZ LYS 14 9.009 -9.049 9.807
106 3HZ LYS 14 3HZ LYS 14 8.670 -10.656 9.402
107 H TYR 15 H TYR 15 2.347 -8.099 5.069
108 HA TYR 15 HA TYR 15 4.011 -7.385 2.751
109 1HB TYR 15 2HB TYR 15 1.156 -7.131 3.422
110 2HB TYR 15 1HB TYR 15 1.844 -5.712 2.652
111 HD1 TYR 15 1HD TYR 15 0.657 -9.087 2.185
112 HD2 TYR 15 2HD TYR 15 2.883 -5.940 0.386
113 HE1 TYR 15 1HE TYR 15 0.364 -10.145 -0.016
114 HE2 TYR 15 2HE TYR 15 2.603 -6.985 -1.819
115 HH TYR 15 HH TYR 15 1.964 -9.901 -2.405
116 H ILE 16 H ILE 16 4.727 -5.212 2.461
117 HA ILE 16 HA ILE 16 4.622 -3.563 4.893
118 HB ILE 16 HB ILE 16 6.987 -4.345 3.255
119 1HG1 ILE 16 2HG1 ILE 16 6.469 -5.225 5.564
120 2HG1 ILE 16 1HG1 ILE 16 8.060 -4.490 5.391
121 1HG2 ILE 16 1HG2 ILE 16 8.014 -2.190 4.507
122 2HG2 ILE 16 2HG2 ILE 16 6.401 -1.584 4.125
123 3HG2 ILE 16 3HG2 ILE 16 7.450 -2.173 2.836
124 1HD1 ILE 16 1HD1 ILE 16 7.534 -3.379 7.249
125 2HD1 ILE 16 2HD1 ILE 16 5.815 -3.729 7.081
126 3HD1 ILE 16 3HD1 ILE 16 6.528 -2.375 6.204
127 H LEU 17 H LEU 17 3.765 -1.648 4.581
128 HA LEU 17 HA LEU 17 3.719 -0.564 1.847
129 1HB LEU 17 2HB LEU 17 1.569 -1.101 3.322
130 2HB LEU 17 1HB LEU 17 1.929 0.485 3.976
131 HG LEU 17 HG LEU 17 2.009 0.583 1.103
132 1HD1 LEU 17 1HD1 LEU 17 0.295 -1.376 1.830
133 2HD1 LEU 17 2HD1 LEU 17 0.084 -0.353 0.408
134 3HD1 LEU 17 3HD1 LEU 17 -0.766 0.030 1.905
135 1HD2 LEU 17 1HD2 LEU 17 1.563 2.623 1.943
136 2HD2 LEU 17 2HD2 LEU 17 0.764 1.976 3.377
137 3HD2 LEU 17 3HD2 LEU 17 -0.113 2.084 1.851
138 H ARG 18 H ARG 18 5.188 0.961 1.564
139 HA ARG 18 HA ARG 18 5.849 2.702 3.839
140 1HB ARG 18 2HB ARG 18 7.786 2.840 1.709
141 2HB ARG 18 1HB ARG 18 8.019 2.404 3.396
142 1HG ARG 18 2HG ARG 18 6.892 0.139 2.452
143 2HG ARG 18 1HG ARG 18 7.759 0.699 1.021
144 1HD ARG 18 2HD ARG 18 9.138 0.656 3.670
145 2HD ARG 18 1HD ARG 18 8.940 -0.846 2.765
146 HE ARG 18 HE ARG 18 10.012 1.159 1.088
147 1HH1 ARG 18 1HH1 ARG 18 10.880 -0.929 3.740
148 2HH1 ARG 18 2HH1 ARG 18 12.563 -0.963 3.333
149 1HH2 ARG 18 1HH2 ARG 18 12.230 1.120 0.544
150 2HH2 ARG 18 2HH2 ARG 18 13.330 0.202 1.517
151 H TRP 19 H TRP 19 5.456 4.814 3.667
152 HA TRP 19 HA TRP 19 5.174 5.967 1.004
153 1HB TRP 19 2HB TRP 19 3.021 6.796 1.282
154 2HB TRP 19 1HB TRP 19 2.913 5.188 1.984
155 HD1 TRP 19 HD TRP 19 2.795 8.883 2.925
156 HE1 TRP 19 1HE TRP 19 1.886 9.096 5.325
157 HE3 TRP 19 3HE TRP 19 2.773 3.937 4.231
158 HZ2 TRP 19 2HZ TRP 19 1.248 7.394 7.484
159 HZ3 TRP 19 3HZ TRP 19 1.997 3.316 6.482
160 HH2 TRP 19 HH TRP 19 1.251 5.010 8.074
161 H ARG 20 H ARG 20 5.452 8.175 0.855
162 HA ARG 20 HA ARG 20 6.001 9.773 3.180
163 1HB ARG 20 2HB ARG 20 8.174 9.190 3.318
164 2HB ARG 20 1HB ARG 20 8.170 8.447 1.727
165 1HG ARG 20 2HG ARG 20 8.104 11.394 1.767
166 2HG ARG 20 1HG ARG 20 9.585 10.639 2.357
167 1HD ARG 20 2HD ARG 20 8.852 9.253 0.020
168 2HD ARG 20 1HD ARG 20 8.669 10.970 -0.337
169 HE ARG 20 HE ARG 20 11.166 9.842 0.750
170 1HH1 ARG 20 1HH1 ARG 20 9.444 11.838 -1.528
171 2HH1 ARG 20 2HH1 ARG 20 10.882 12.462 -2.266
172 1HH2 ARG 20 1HH2 ARG 20 13.065 10.655 -0.215
173 2HH2 ARG 20 2HH2 ARG 20 12.941 11.788 -1.520
174 HA PRO 21 HA PRO 21 4.572 12.982 0.522
175 1HB PRO 21 2HB PRO 21 6.642 14.706 1.781
176 2HB PRO 21 1HB PRO 21 4.896 14.948 1.660
177 1HG PRO 21 2HG PRO 21 5.990 14.231 3.971
178 2HG PRO 21 1HG PRO 21 4.445 13.535 3.445
179 1HD PRO 21 2HD PRO 21 7.178 12.325 3.384
180 2HD PRO 21 1HD PRO 21 5.625 11.578 3.802
181 H LYS 22 H LYS 22 5.084 12.869 -1.562
182 HA LYS 22 HA LYS 22 7.785 12.764 -2.515
183 1HB LYS 22 2HB LYS 22 5.071 12.664 -3.714
184 2HB LYS 22 1HB LYS 22 6.373 13.212 -4.759
185 1HG LYS 22 2HG LYS 22 7.592 11.160 -4.380
186 2HG LYS 22 1HG LYS 22 6.364 10.617 -3.236
187 1HD LYS 22 2HD LYS 22 5.681 9.518 -5.130
188 2HD LYS 22 1HD LYS 22 4.752 11.011 -5.275
189 1HE LYS 22 2HE LYS 22 6.558 11.923 -6.718
190 2HE LYS 22 1HE LYS 22 7.351 10.349 -6.653
191 1HZ LYS 22 1HZ LYS 22 6.008 10.628 -8.659
192 2HZ LYS 22 2HZ LYS 22 4.620 10.839 -7.715
193 3HZ LYS 22 3HZ LYS 22 5.434 9.357 -7.702
194 H ASN 23 H ASN 23 5.454 15.258 -1.958
195 HA ASN 23 HA ASN 23 6.810 17.197 -3.631
196 1HB ASN 23 2HB ASN 23 4.363 17.256 -3.426
197 2HB ASN 23 1HB ASN 23 4.511 17.541 -1.694
198 1HD2 ASN 23 1HD2 ASN 23 6.003 18.884 -4.627
199 2HD2 ASN 23 2HD2 ASN 23 5.707 20.537 -4.221
200 H SER 24 H SER 24 6.528 16.411 -0.212
201 HA SER 24 HA SER 24 8.395 18.599 0.413
202 1HB SER 24 2HB SER 24 6.014 17.933 1.634
203 2HB SER 24 1HB SER 24 7.213 17.187 2.692
204 HG SER 24 HG SER 24 7.080 19.216 3.437
205 H VAL 25 H VAL 25 9.578 17.862 2.656
206 HA VAL 25 HA VAL 25 10.912 15.310 2.022
207 HB VAL 25 HB VAL 25 12.439 17.108 1.547
208 1HG1 VAL 25 1HG1 VAL 25 12.922 18.902 2.938
209 2HG1 VAL 25 2HG1 VAL 25 12.295 18.088 4.372
210 3HG1 VAL 25 3HG1 VAL 25 11.183 18.698 3.147
211 1HG2 VAL 25 1HG2 VAL 25 13.332 15.086 2.651
212 2HG2 VAL 25 2HG2 VAL 25 13.167 15.893 4.211
213 3HG2 VAL 25 3HG2 VAL 25 14.281 16.530 3.002
214 H GLY 26 H GLY 26 11.055 13.837 3.606
215 1HA GLY 26 2HA GLY 26 11.169 14.448 6.371
216 2HA GLY 26 1HA GLY 26 9.529 14.000 5.926
217 H ARG 27 H ARG 27 9.985 12.253 7.508
218 HA ARG 27 HA ARG 27 11.729 10.132 6.534
219 1HB ARG 27 2HB ARG 27 10.378 10.758 9.104
220 2HB ARG 27 1HB ARG 27 10.639 9.058 8.736
221 1HG ARG 27 2HG ARG 27 13.011 10.639 8.239
222 2HG ARG 27 1HG ARG 27 12.443 10.796 9.902
223 1HD ARG 27 2HD ARG 27 14.052 8.942 9.596
224 2HD ARG 27 1HD ARG 27 12.483 8.408 10.195
225 HE ARG 27 HE ARG 27 12.076 7.361 8.152
226 1HH1 ARG 27 1HH1 ARG 27 15.112 9.073 8.125
227 2HH1 ARG 27 2HH1 ARG 27 15.687 8.290 6.691
228 1HH2 ARG 27 1HH2 ARG 27 12.829 6.325 6.265
229 2HH2 ARG 27 2HH2 ARG 27 14.391 6.730 5.635
230 H TRP 28 H TRP 28 11.010 8.021 6.097
231 HA TRP 28 HA TRP 28 8.484 7.889 4.765
232 1HB TRP 28 2HB TRP 28 10.653 5.869 5.315
233 2HB TRP 28 1HB TRP 28 9.152 5.425 4.512
234 HD1 TRP 28 HD TRP 28 12.243 7.673 3.987
235 HE1 TRP 28 1HE TRP 28 12.535 8.055 1.458
236 HE3 TRP 28 3HE TRP 28 7.991 5.376 2.321
237 HZ2 TRP 28 2HZ TRP 28 11.147 7.462 -0.926
238 HZ3 TRP 28 3HZ TRP 28 7.546 5.327 -0.098
239 HH2 TRP 28 HH TRP 28 9.093 6.350 -1.686
240 H LYS 29 H LYS 29 7.187 5.717 5.166
241 HA LYS 29 HA LYS 29 6.813 5.280 8.043
242 1HB LYS 29 2HB LYS 29 4.929 6.562 6.206
243 2HB LYS 29 1HB LYS 29 4.234 5.188 7.058
244 1HG LYS 29 2HG LYS 29 3.956 6.430 8.865
245 2HG LYS 29 1HG LYS 29 5.689 6.762 8.928
246 1HD LYS 29 2HD LYS 29 3.891 8.276 7.067
247 2HD LYS 29 1HD LYS 29 4.051 8.749 8.759
248 1HE LYS 29 2HE LYS 29 6.661 8.394 7.934
249 2HE LYS 29 1HE LYS 29 5.884 9.124 6.530
250 1HZ LYS 29 1HZ LYS 29 6.758 10.402 8.826
251 2HZ LYS 29 2HZ LYS 29 5.069 10.453 8.887
252 3HZ LYS 29 3HZ LYS 29 5.885 11.078 7.544
253 H GLU 30 H GLU 30 5.741 3.260 8.535
254 HA GLU 30 HA GLU 30 5.613 1.393 6.271
255 1HB GLU 30 2HB GLU 30 6.537 -0.209 8.285
256 2HB GLU 30 1HB GLU 30 7.525 0.477 7.002
257 1HG GLU 30 2HG GLU 30 8.753 1.132 8.783
258 2HG GLU 30 1HG GLU 30 7.654 2.508 8.694
259 H ALA 31 H ALA 31 3.948 0.051 6.258
260 HA ALA 31 HA ALA 31 2.417 -0.427 8.713
261 1HB ALA 31 1HB ALA 31 0.313 -0.174 7.271
262 2HB ALA 31 2HB ALA 31 1.346 0.688 6.133
263 3HB ALA 31 3HB ALA 31 1.134 1.306 7.771
264 H THR 32 H THR 32 2.546 -2.589 8.946
265 HA THR 32 HA THR 32 2.798 -4.264 6.590
266 HB THR 32 HB THR 32 2.961 -4.968 9.519
267 HG1 THR 32 1HG THR 32 4.731 -3.771 8.483
268 1HG2 THR 32 1HG2 THR 32 2.071 -6.861 8.216
269 2HG2 THR 32 2HG2 THR 32 3.713 -7.181 8.784
270 3HG2 THR 32 3HG2 THR 32 3.437 -6.730 7.101
271 H ILE 33 H ILE 33 1.401 -5.687 5.834
272 HA ILE 33 HA ILE 33 -1.012 -6.322 7.354
273 HB ILE 33 HB ILE 33 -1.771 -6.076 4.612
274 1HG1 ILE 33 2HG1 ILE 33 -0.802 -3.456 5.763
275 2HG1 ILE 33 1HG1 ILE 33 0.132 -4.395 4.603
276 1HG2 ILE 33 1HG2 ILE 33 -3.381 -4.402 5.631
277 2HG2 ILE 33 2HG2 ILE 33 -2.583 -4.729 7.170
278 3HG2 ILE 33 3HG2 ILE 33 -3.399 -6.031 6.305
279 1HD1 ILE 33 1HD1 ILE 33 -2.666 -3.465 4.050
280 2HD1 ILE 33 2HD1 ILE 33 -1.464 -4.066 2.907
281 3HD1 ILE 33 3HD1 ILE 33 -1.240 -2.495 3.679
282 HA PRO 34 HA PRO 34 0.652 -10.124 5.528
283 1HB PRO 34 2HB PRO 34 -0.659 -11.583 7.626
284 2HB PRO 34 1HB PRO 34 1.066 -11.281 7.413
285 1HG PRO 34 2HG PRO 34 -0.473 -10.219 9.442
286 2HG PRO 34 1HG PRO 34 1.057 -9.535 8.872
287 1HD PRO 34 2HD PRO 34 -1.739 -8.691 8.265
288 2HD PRO 34 1HD PRO 34 -0.286 -7.701 8.488
289 H GLY 35 H GLY 35 -0.297 -11.160 3.910
290 1HA GLY 35 2HA GLY 35 -1.893 -12.614 2.966
291 2HA GLY 35 1HA GLY 35 -3.039 -12.128 4.205
292 H HIS 36 H HIS 36 -3.838 -12.320 1.603
293 HA HIS 36 HA HIS 36 -3.729 -9.731 0.332
294 1HB HIS 36 2HB HIS 36 -5.426 -10.840 -1.244
295 2HB HIS 36 1HB HIS 36 -3.802 -11.517 -1.200
296 HD2 HIS 36 2HD HIS 36 -7.394 -12.617 -0.859
297 HE1 HIS 36 1HE HIS 36 -4.999 -15.726 0.725
298 HE2 HIS 36 2HE HIS 36 -7.358 -15.017 0.126
299 H LEU 37 H LEU 37 -4.606 -8.798 2.425
300 HA LEU 37 HA LEU 37 -7.417 -9.117 2.929
301 1HB LEU 37 2HB LEU 37 -5.865 -6.804 3.993
302 2HB LEU 37 1HB LEU 37 -7.111 -7.763 4.769
303 HG LEU 37 HG LEU 37 -4.258 -8.630 4.284
304 1HD1 LEU 37 1HD1 LEU 37 -5.530 -7.165 6.411
305 2HD1 LEU 37 2HD1 LEU 37 -3.825 -7.546 6.169
306 3HD1 LEU 37 3HD1 LEU 37 -4.877 -8.694 6.999
307 1HD2 LEU 37 1HD2 LEU 37 -6.160 -10.386 4.228
308 2HD2 LEU 37 2HD2 LEU 37 -6.251 -10.098 5.966
309 3HD2 LEU 37 3HD2 LEU 37 -4.750 -10.680 5.246
310 H ASN 38 H ASN 38 -5.758 -7.603 0.564
311 HA ASN 38 HA ASN 38 -6.819 -6.472 -1.214
312 1HB ASN 38 2HB ASN 38 -8.774 -5.328 -1.041
313 2HB ASN 38 1HB ASN 38 -8.926 -6.258 0.446
314 1HD2 ASN 38 1HD2 ASN 38 -9.566 -3.389 -0.670
315 2HD2 ASN 38 2HD2 ASN 38 -9.199 -2.385 0.686
316 H SER 39 H SER 39 -6.813 -3.989 -1.760
317 HA SER 39 HA SER 39 -4.205 -3.068 -1.000
318 1HB SER 39 2HB SER 39 -6.287 -1.654 -2.679
319 2HB SER 39 1HB SER 39 -4.561 -1.294 -2.616
320 HG SER 39 HG SER 39 -5.053 -2.575 -4.422
321 H TYR 40 H TYR 40 -3.859 -2.078 0.863
322 HA TYR 40 HA TYR 40 -5.960 -0.413 2.038
323 1HB TYR 40 2HB TYR 40 -4.882 -2.169 3.438
324 2HB TYR 40 1HB TYR 40 -3.345 -1.331 3.260
325 HD1 TYR 40 1HD TYR 40 -3.084 0.961 4.249
326 HD2 TYR 40 2HD TYR 40 -6.483 -1.474 5.039
327 HE1 TYR 40 1HE TYR 40 -3.615 2.350 6.208
328 HE2 TYR 40 2HE TYR 40 -7.024 -0.092 7.000
329 HH TYR 40 HH TYR 40 -6.599 2.138 7.858
330 H THR 41 H THR 41 -5.912 1.694 1.660
331 HA THR 41 HA THR 41 -3.295 3.013 1.367
332 HB THR 41 HB THR 41 -4.301 2.879 -0.840
333 HG1 THR 41 1HG THR 41 -3.673 4.868 -1.188
334 1HG2 THR 41 1HG2 THR 41 -6.723 3.542 0.623
335 2HG2 THR 41 2HG2 THR 41 -6.533 2.818 -0.972
336 3HG2 THR 41 3HG2 THR 41 -6.494 4.571 -0.792
337 H ILE 42 H ILE 42 -3.050 4.993 2.321
338 HA ILE 42 HA ILE 42 -5.091 5.719 4.275
339 HB ILE 42 HB ILE 42 -2.201 6.497 3.932
340 1HG1 ILE 42 2HG1 ILE 42 -2.913 5.695 6.568
341 2HG1 ILE 42 1HG1 ILE 42 -3.625 4.538 5.448
342 1HG2 ILE 42 1HG2 ILE 42 -4.288 7.786 5.663
343 2HG2 ILE 42 2HG2 ILE 42 -3.123 8.549 4.579
344 3HG2 ILE 42 3HG2 ILE 42 -2.576 7.818 6.088
345 1HD1 ILE 42 1HD1 ILE 42 -0.723 5.332 5.505
346 2HD1 ILE 42 2HD1 ILE 42 -1.459 4.104 4.473
347 3HD1 ILE 42 3HD1 ILE 42 -1.398 3.870 6.221
348 H LYS 43 H LYS 43 -6.558 7.207 3.762
349 HA LYS 43 HA LYS 43 -5.778 9.377 1.925
350 1HB LYS 43 2HB LYS 43 -8.588 8.340 2.271
351 2HB LYS 43 1HB LYS 43 -7.984 9.422 1.025
352 1HG LYS 43 2HG LYS 43 -6.590 7.567 0.157
353 2HG LYS 43 1HG LYS 43 -7.345 6.499 1.341
354 1HD LYS 43 2HD LYS 43 -8.962 8.096 -0.626
355 2HD LYS 43 1HD LYS 43 -8.314 6.504 -1.023
356 1HE LYS 43 2HE LYS 43 -10.043 7.050 1.382
357 2HE LYS 43 1HE LYS 43 -10.681 6.524 -0.175
358 1HZ LYS 43 1HZ LYS 43 -8.582 4.815 0.535
359 2HZ LYS 43 2HZ LYS 43 -10.226 4.447 0.385
360 3HZ LYS 43 3HZ LYS 43 -9.608 4.952 1.875
361 H GLY 44 H GLY 44 -5.326 9.603 4.654
362 1HA GLY 44 2HA GLY 44 -7.535 11.262 5.657
363 2HA GLY 44 1HA GLY 44 -6.218 10.615 6.625
364 H LEU 45 H LEU 45 -5.115 11.854 3.694
365 HA LEU 45 HA LEU 45 -3.867 14.080 5.047
366 1HB LEU 45 2HB LEU 45 -3.659 13.132 2.180
367 2HB LEU 45 1HB LEU 45 -2.689 14.409 2.894
368 HG LEU 45 HG LEU 45 -1.192 12.736 3.144
369 1HD1 LEU 45 1HD1 LEU 45 -1.214 11.719 5.314
370 2HD1 LEU 45 2HD1 LEU 45 -2.954 11.967 5.462
371 3HD1 LEU 45 3HD1 LEU 45 -1.864 13.353 5.449
372 1HD2 LEU 45 1HD2 LEU 45 -3.242 11.198 2.180
373 2HD2 LEU 45 2HD2 LEU 45 -2.882 10.444 3.733
374 3HD2 LEU 45 3HD2 LEU 45 -1.607 10.639 2.530
375 H LYS 46 H LYS 46 -3.797 16.255 3.918
376 HA LYS 46 HA LYS 46 -6.544 17.036 3.316
377 1HB LYS 46 2HB LYS 46 -5.712 19.351 3.650
378 2HB LYS 46 1HB LYS 46 -5.444 18.312 5.043
379 1HG LYS 46 2HG LYS 46 -3.319 18.931 5.017
380 2HG LYS 46 1HG LYS 46 -3.135 18.082 3.484
381 1HD LYS 46 2HD LYS 46 -2.361 20.341 3.230
382 2HD LYS 46 1HD LYS 46 -3.854 20.144 2.313
383 1HE LYS 46 2HE LYS 46 -4.252 21.032 5.075
384 2HE LYS 46 1HE LYS 46 -3.332 22.165 4.084
385 1HZ LYS 46 1HZ LYS 46 -5.420 21.387 2.494
386 2HZ LYS 46 2HZ LYS 46 -5.284 22.856 3.322
387 3HZ LYS 46 3HZ LYS 46 -6.119 21.564 4.026
388 HA PRO 47 HA PRO 47 -6.286 17.263 -1.093
389 1HB PRO 47 2HB PRO 47 -7.475 19.955 -0.526
390 2HB PRO 47 1HB PRO 47 -7.932 18.763 -1.750
391 1HG PRO 47 2HG PRO 47 -9.316 19.001 0.520
392 2HG PRO 47 1HG PRO 47 -9.029 17.418 -0.223
393 1HD PRO 47 2HD PRO 47 -7.871 18.581 2.232
394 2HD PRO 47 1HD PRO 47 -8.051 16.880 1.765
395 H GLY 48 H GLY 48 -4.488 17.672 -2.210
396 1HA GLY 48 2HA GLY 48 -3.244 19.426 -3.373
397 2HA GLY 48 1HA GLY 48 -3.216 20.313 -1.862
398 H VAL 49 H VAL 49 -2.657 17.032 -1.266
399 HA VAL 49 HA VAL 49 0.254 17.506 -1.386
400 HB VAL 49 HB VAL 49 -0.883 15.655 0.660
401 1HG1 VAL 49 1HG1 VAL 49 1.131 16.143 1.832
402 2HG1 VAL 49 2HG1 VAL 49 1.503 17.487 0.752
403 3HG1 VAL 49 3HG1 VAL 49 1.558 15.830 0.150
404 1HG2 VAL 49 1HG2 VAL 49 -0.507 18.575 1.247
405 2HG2 VAL 49 2HG2 VAL 49 -1.300 17.342 2.229
406 3HG2 VAL 49 3HG2 VAL 49 -2.068 17.919 0.750
407 H VAL 50 H VAL 50 1.540 15.957 -2.205
408 HA VAL 50 HA VAL 50 0.245 13.438 -3.012
409 HB VAL 50 HB VAL 50 1.517 15.293 -4.689
410 1HG1 VAL 50 1HG1 VAL 50 3.400 14.046 -5.632
411 2HG1 VAL 50 2HG1 VAL 50 3.233 12.837 -4.356
412 3HG1 VAL 50 3HG1 VAL 50 3.698 14.490 -3.950
413 1HG2 VAL 50 1HG2 VAL 50 0.977 13.766 -6.421
414 2HG2 VAL 50 2HG2 VAL 50 -0.258 13.569 -5.179
415 3HG2 VAL 50 3HG2 VAL 50 1.046 12.386 -5.322
416 H TYR 51 H TYR 51 1.143 11.588 -2.359
417 HA TYR 51 HA TYR 51 3.728 11.739 -0.954
418 1HB TYR 51 2HB TYR 51 1.256 10.087 -0.358
419 2HB TYR 51 1HB TYR 51 2.840 9.637 0.260
420 HD1 TYR 51 1HD TYR 51 0.520 12.567 0.158
421 HD2 TYR 51 2HD TYR 51 3.507 10.440 2.314
422 HE1 TYR 51 1HE TYR 51 0.208 14.080 2.072
423 HE2 TYR 51 2HE TYR 51 3.208 11.945 4.231
424 HH TYR 51 HH TYR 51 1.903 13.549 5.126
425 H GLU 52 H GLU 52 4.376 9.140 -0.756
426 HA GLU 52 HA GLU 52 4.233 8.108 -3.521
427 1HB GLU 52 2HB GLU 52 6.491 9.174 -2.755
428 2HB GLU 52 1HB GLU 52 6.671 7.713 -1.792
429 1HG GLU 52 2HG GLU 52 6.172 7.664 -4.753
430 2HG GLU 52 1HG GLU 52 7.786 7.710 -4.048
431 H GLY 53 H GLY 53 3.570 6.038 -3.636
432 1HA GLY 53 2HA GLY 53 3.481 4.541 -1.095
433 2HA GLY 53 1HA GLY 53 2.253 4.417 -2.343
434 H GLN 54 H GLN 54 4.785 2.888 -0.981
435 HA GLN 54 HA GLN 54 5.186 1.222 -3.364
436 1HB GLN 54 2HB GLN 54 7.175 2.687 -3.002
437 2HB GLN 54 1HB GLN 54 7.372 1.968 -1.410
438 1HG GLN 54 2HG GLN 54 7.818 -0.180 -2.366
439 2HG GLN 54 1HG GLN 54 7.427 0.410 -3.980
440 1HE2 GLN 54 1HE2 GLN 54 9.890 -0.289 -1.905
441 2HE2 GLN 54 2HE2 GLN 54 11.149 0.646 -2.631
442 H LEU 55 H LEU 55 4.337 -0.693 -2.897
443 HA LEU 55 HA LEU 55 4.394 -1.625 -0.119
444 1HB LEU 55 2HB LEU 55 2.190 -1.512 -1.056
445 2HB LEU 55 1HB LEU 55 2.690 -2.409 -2.474
446 HG LEU 55 HG LEU 55 3.165 -4.353 -0.877
447 1HD1 LEU 55 1HD1 LEU 55 2.453 -4.313 1.279
448 2HD1 LEU 55 2HD1 LEU 55 1.158 -3.163 0.948
449 3HD1 LEU 55 3HD1 LEU 55 2.822 -2.598 1.095
450 1HD2 LEU 55 1HD2 LEU 55 1.199 -4.055 -2.461
451 2HD2 LEU 55 2HD2 LEU 55 0.275 -3.546 -1.047
452 3HD2 LEU 55 3HD2 LEU 55 0.972 -5.166 -1.108
453 H ILE 56 H ILE 56 6.143 -2.789 0.283
454 HA ILE 56 HA ILE 56 7.109 -4.709 -1.714
455 HB ILE 56 HB ILE 56 8.430 -3.847 0.860
456 1HG1 ILE 56 2HG1 ILE 56 10.033 -2.817 -1.008
457 2HG1 ILE 56 1HG1 ILE 56 8.528 -2.772 -1.921
458 1HG2 ILE 56 1HG2 ILE 56 8.895 -6.123 -0.492
459 2HG2 ILE 56 2HG2 ILE 56 10.138 -5.250 0.405
460 3HG2 ILE 56 3HG2 ILE 56 9.993 -5.033 -1.339
461 1HD1 ILE 56 1HD1 ILE 56 8.272 -1.719 0.780
462 2HD1 ILE 56 2HD1 ILE 56 7.758 -1.038 -0.762
463 3HD1 ILE 56 3HD1 ILE 56 9.424 -0.836 -0.221
464 H SER 57 H SER 57 7.103 -6.875 -1.311
465 HA SER 57 HA SER 57 5.525 -7.721 0.984
466 1HB SER 57 2HB SER 57 6.434 -9.470 -1.292
467 2HB SER 57 1HB SER 57 5.105 -9.742 -0.167
468 HG SER 57 HG SER 57 4.889 -7.389 -1.530
469 H ILE 58 H ILE 58 6.137 -9.403 2.315
470 HA ILE 58 HA ILE 58 9.053 -9.792 2.469
471 HB ILE 58 HB ILE 58 7.047 -9.474 4.681
472 1HG1 ILE 58 2HG1 ILE 58 9.658 -8.116 3.987
473 2HG1 ILE 58 1HG1 ILE 58 8.047 -7.427 3.835
474 1HG2 ILE 58 1HG2 ILE 58 8.625 -10.235 6.280
475 2HG2 ILE 58 2HG2 ILE 58 9.899 -10.360 5.065
476 3HG2 ILE 58 3HG2 ILE 58 8.536 -11.481 5.033
477 1HD1 ILE 58 1HD1 ILE 58 7.986 -6.823 5.981
478 2HD1 ILE 58 2HD1 ILE 58 9.733 -7.064 5.943
479 3HD1 ILE 58 3HD1 ILE 58 8.678 -8.349 6.531
480 H GLN 59 H GLN 59 9.857 -11.763 2.517
481 HA GLN 59 HA GLN 59 8.026 -14.019 2.855
482 1HB GLN 59 2HB GLN 59 10.166 -15.066 1.535
483 2HB GLN 59 1HB GLN 59 8.645 -14.583 0.803
484 1HG GLN 59 2HG GLN 59 9.507 -12.452 0.270
485 2HG GLN 59 1HG GLN 59 11.022 -12.795 1.100
486 1HE2 GLN 59 1HE2 GLN 59 9.152 -14.913 -0.998
487 2HE2 GLN 59 2HE2 GLN 59 10.373 -15.117 -2.195
488 H GLN 60 H GLN 60 9.614 -16.082 3.175
489 HA GLN 60 HA GLN 60 10.845 -15.653 5.734
490 1HB GLN 60 2HB GLN 60 11.529 -18.128 5.348
491 2HB GLN 60 1HB GLN 60 9.826 -17.753 5.571
492 1HG GLN 60 2HG GLN 60 10.304 -17.556 2.813
493 2HG GLN 60 1HG GLN 60 11.138 -19.013 3.359
494 1HE2 GLN 60 1HE2 GLN 60 8.556 -18.340 1.828
495 2HE2 GLN 60 2HE2 GLN 60 7.384 -19.382 2.555
496 H TYR 61 H TYR 61 11.771 -15.615 2.455
497 HA TYR 61 HA TYR 61 14.624 -15.786 3.115
498 1HB TYR 61 2HB TYR 61 14.125 -15.569 0.284
499 2HB TYR 61 1HB TYR 61 14.906 -16.867 1.177
500 HD1 TYR 61 1HD TYR 61 13.921 -18.971 1.180
501 HD2 TYR 61 2HD TYR 61 11.497 -15.576 0.359
502 HE1 TYR 61 1HE TYR 61 12.025 -20.453 0.672
503 HE2 TYR 61 2HE TYR 61 9.585 -17.041 -0.146
504 HH TYR 61 HH TYR 61 8.810 -19.169 0.001
505 H GLY 62 H GLY 62 12.246 -13.495 2.688
506 1HA GLY 62 2HA GLY 62 12.455 -11.182 2.686
507 2HA GLY 62 1HA GLY 62 14.190 -11.373 2.489
508 H HIS 63 H HIS 63 12.002 -9.701 1.139
509 HA HIS 63 HA HIS 63 11.735 -8.726 -0.903
510 1HB HIS 63 2HB HIS 63 14.214 -9.006 -1.088
511 2HB HIS 63 1HB HIS 63 13.939 -10.556 -1.875
512 HD2 HIS 63 2HD HIS 63 13.080 -10.442 -4.509
513 HE1 HIS 63 1HE HIS 63 13.493 -6.243 -4.838
514 HE2 HIS 63 2HE HIS 63 13.278 -8.420 -6.120
515 H GLN 64 H GLN 64 9.652 -9.747 -0.923
516 HA GLN 64 HA GLN 64 9.435 -12.171 -2.555
517 1HB GLN 64 2HB GLN 64 8.318 -11.845 -0.243
518 2HB GLN 64 1HB GLN 64 7.151 -10.864 -1.116
519 1HG GLN 64 2HG GLN 64 6.109 -12.645 -1.940
520 2HG GLN 64 1HG GLN 64 7.622 -13.436 -2.383
521 1HE2 GLN 64 1HE2 GLN 64 7.774 -15.353 -1.474
522 2HE2 GLN 64 2HE2 GLN 64 7.317 -15.759 0.143
523 H GLU 65 H GLU 65 7.387 -9.271 -2.198
524 HA GLU 65 HA GLU 65 7.222 -9.078 -5.126
525 1HB GLU 65 2HB GLU 65 5.309 -10.323 -3.678
526 2HB GLU 65 1HB GLU 65 4.715 -8.673 -3.615
527 1HG GLU 65 2HG GLU 65 3.659 -9.602 -5.475
528 2HG GLU 65 1HG GLU 65 4.980 -8.651 -6.152
529 H VAL 66 H VAL 66 7.425 -7.017 -5.830
530 HA VAL 66 HA VAL 66 6.852 -4.871 -3.892
531 HB VAL 66 HB VAL 66 8.761 -4.577 -6.198
532 1HG1 VAL 66 1HG1 VAL 66 8.623 -2.449 -5.548
533 2HG1 VAL 66 2HG1 VAL 66 9.482 -2.933 -4.085
534 3HG1 VAL 66 3HG1 VAL 66 7.719 -2.880 -4.095
535 1HG2 VAL 66 1HG2 VAL 66 10.535 -5.341 -4.980
536 2HG2 VAL 66 2HG2 VAL 66 9.276 -6.394 -4.335
537 3HG2 VAL 66 3HG2 VAL 66 9.779 -4.964 -3.432
538 H THR 67 H THR 67 5.604 -3.191 -4.475
539 HA THR 67 HA THR 67 4.723 -2.954 -7.261
540 HB THR 67 HB THR 67 2.505 -2.375 -5.530
541 HG1 THR 67 1HG THR 67 2.352 -4.884 -5.168
542 1HG2 THR 67 1HG2 THR 67 2.296 -2.850 -7.899
543 2HG2 THR 67 2HG2 THR 67 1.385 -4.043 -6.974
544 3HG2 THR 67 3HG2 THR 67 2.954 -4.468 -7.661
545 H ARG 68 H ARG 68 4.564 -0.867 -7.943
546 HA ARG 68 HA ARG 68 4.930 1.216 -5.894
547 1HB ARG 68 2HB ARG 68 5.644 1.402 -8.820
548 2HB ARG 68 1HB ARG 68 6.063 2.545 -7.550
549 1HG ARG 68 2HG ARG 68 7.275 0.512 -6.481
550 2HG ARG 68 1HG ARG 68 7.197 -0.156 -8.112
551 1HD ARG 68 2HD ARG 68 8.478 2.435 -7.263
552 2HD ARG 68 1HD ARG 68 9.296 0.982 -7.837
553 HE ARG 68 HE ARG 68 7.723 2.846 -9.468
554 1HH1 ARG 68 1HH1 ARG 68 9.860 0.105 -9.219
555 2HH1 ARG 68 2HH1 ARG 68 10.230 0.078 -10.910
556 1HH2 ARG 68 1HH2 ARG 68 8.204 2.817 -11.695
557 2HH2 ARG 68 2HH2 ARG 68 9.290 1.620 -12.318
558 H PHE 69 H PHE 69 3.716 3.067 -5.925
559 HA PHE 69 HA PHE 69 1.809 3.590 -8.007
560 1HB PHE 69 2HB PHE 69 -0.005 3.714 -6.031
561 2HB PHE 69 1HB PHE 69 0.195 2.308 -7.067
562 HD1 PHE 69 1HD PHE 69 0.796 3.704 -3.736
563 HD2 PHE 69 2HD PHE 69 1.135 0.266 -6.220
564 HE1 PHE 69 1HE PHE 69 1.204 2.313 -1.750
565 HE2 PHE 69 2HE PHE 69 1.549 -1.131 -4.238
566 HZ PHE 69 HZ PHE 69 1.581 -0.107 -1.998
567 H ASP 70 H ASP 70 0.590 5.574 -7.665
568 HA ASP 70 HA ASP 70 2.276 7.517 -6.301
569 1HB ASP 70 2HB ASP 70 0.852 9.201 -7.494
570 2HB ASP 70 1HB ASP 70 1.694 8.093 -8.577
571 H PHE 71 H PHE 71 1.493 8.943 -4.795
572 HA PHE 71 HA PHE 71 -0.944 8.080 -3.413
573 1HB PHE 71 2HB PHE 71 1.645 7.931 -2.670
574 2HB PHE 71 1HB PHE 71 1.196 9.490 -1.977
575 HD1 PHE 71 1HD PHE 71 -0.756 9.567 -0.398
576 HD2 PHE 71 2HD PHE 71 1.084 5.979 -1.696
577 HE1 PHE 71 1HE PHE 71 -1.682 8.406 1.565
578 HE2 PHE 71 2HE PHE 71 0.166 4.786 0.260
579 HZ PHE 71 HZ PHE 71 -1.210 6.021 1.893
580 H THR 72 H THR 72 -2.338 9.600 -2.637
581 HA THR 72 HA THR 72 -1.681 12.415 -2.713
582 HB THR 72 HB THR 72 -4.238 12.347 -3.872
583 HG1 THR 72 1HG THR 72 -2.404 10.810 -5.420
584 1HG2 THR 72 1HG2 THR 72 -1.929 13.768 -4.128
585 2HG2 THR 72 2HG2 THR 72 -3.336 13.939 -5.179
586 3HG2 THR 72 3HG2 THR 72 -1.988 12.912 -5.670
587 H THR 73 H THR 73 -3.553 13.721 -1.861
588 HA THR 73 HA THR 73 -4.499 12.480 0.560
589 HB THR 73 HB THR 73 -5.110 14.632 1.258
590 HG1 THR 73 1HG THR 73 -4.866 15.982 -1.125
591 1HG2 THR 73 1HG2 THR 73 -2.664 14.332 0.833
592 2HG2 THR 73 2HG2 THR 73 -3.201 16.010 0.783
593 3HG2 THR 73 3HG2 THR 73 -2.889 15.138 -0.718
594 H THR 74 H THR 74 -6.938 14.226 0.563
595 HA THR 74 HA THR 74 -8.813 12.298 -0.301
596 HB THR 74 HB THR 74 -10.480 13.690 0.510
597 HG1 THR 74 1HG THR 74 -10.556 15.800 0.126
598 1HG2 THR 74 1HG2 THR 74 -9.787 14.305 2.603
599 2HG2 THR 74 2HG2 THR 74 -8.326 15.097 2.009
600 3HG2 THR 74 3HG2 THR 74 -8.397 13.336 2.113
601 H SER 75 H SER 75 -7.033 14.554 -2.017
602 HA SER 75 HA SER 75 -8.831 15.464 -3.964
603 1HB SER 75 2HB SER 75 -6.972 16.618 -4.454
604 2HB SER 75 1HB SER 75 -5.978 15.495 -3.527
605 HG SER 75 HG SER 75 -5.996 15.790 -6.114
606 H THR 76 H THR 76 -8.809 14.842 -6.284
607 HA THR 76 HA THR 76 -9.072 11.940 -6.510
608 HB THR 76 HB THR 76 -9.788 13.569 -8.852
609 HG1 THR 76 1HG THR 76 -10.359 14.881 -6.911
610 1HG2 THR 76 1HG2 THR 76 -10.307 11.129 -8.447
611 2HG2 THR 76 2HG2 THR 76 -11.681 12.132 -8.913
612 3HG2 THR 76 3HG2 THR 76 -11.465 11.662 -7.227
613 H SER 77 H SER 77 -7.075 11.104 -6.882
614 HA SER 77 HA SER 77 -5.971 11.383 -9.490
615 1HB SER 77 2HB SER 77 -4.787 12.941 -7.275
616 2HB SER 77 1HB SER 77 -3.639 12.013 -8.240
617 HG SER 77 HG SER 77 -5.492 13.350 -9.745
618 H THR 78 H THR 78 -6.945 9.291 -7.788
619 HA THR 78 HA THR 78 -4.494 7.685 -7.460
620 HB THR 78 HB THR 78 -6.222 6.287 -5.967
621 HG1 THR 78 1HG THR 78 -7.210 8.926 -6.071
622 1HG2 THR 78 1HG2 THR 78 -4.049 7.110 -5.218
623 2HG2 THR 78 2HG2 THR 78 -5.284 7.414 -3.996
624 3HG2 THR 78 3HG2 THR 78 -4.718 8.731 -5.024
625 HA PRO 79 HA PRO 79 -6.887 5.655 -10.837
626 1HB PRO 79 2HB PRO 79 -4.728 4.840 -12.249
627 2HB PRO 79 1HB PRO 79 -5.395 6.471 -12.389
628 1HG PRO 79 2HG PRO 79 -3.036 5.517 -10.814
629 2HG PRO 79 1HG PRO 79 -3.203 6.978 -11.804
630 1HD PRO 79 2HD PRO 79 -3.426 6.992 -9.095
631 2HD PRO 79 1HD PRO 79 -4.297 8.131 -10.142
632 H GLY 80 H GLY 80 -5.709 3.379 -11.959
633 1HA GLY 80 2HA GLY 80 -6.051 1.509 -9.767
634 2HA GLY 80 1HA GLY 80 -5.922 1.107 -11.473
635 H SER 81 H SER 81 -3.665 1.604 -12.413
636 HA SER 81 HA SER 81 -1.484 1.321 -10.537
637 1HB SER 81 2HB SER 81 -2.637 -0.989 -11.851
638 2HB SER 81 1HB SER 81 -0.954 -0.770 -12.328
639 HG SER 81 HG SER 81 -2.043 -1.299 -9.806
640 H ARG 82 H ARG 82 -1.357 0.097 -13.815
641 HA ARG 82 HA ARG 82 -0.303 2.607 -14.839
642 1HB ARG 82 2HB ARG 82 1.314 0.072 -14.616
643 2HB ARG 82 1HB ARG 82 1.707 1.335 -15.774
644 1HG ARG 82 2HG ARG 82 1.665 2.881 -13.674
645 2HG ARG 82 1HG ARG 82 1.897 1.365 -12.800
646 1HD ARG 82 2HD ARG 82 4.058 1.370 -13.305
647 2HD ARG 82 1HD ARG 82 3.678 1.431 -15.027
648 HE ARG 82 HE ARG 82 4.203 3.656 -15.022
649 1HH1 ARG 82 1HH1 ARG 82 3.699 2.611 -11.735
650 2HH1 ARG 82 2HH1 ARG 82 4.230 4.107 -11.043
651 1HH2 ARG 82 1HH2 ARG 82 4.907 5.627 -14.118
652 2HH2 ARG 82 2HH2 ARG 82 4.917 5.821 -12.396
653 H SER 83 H SER 83 -1.872 -0.364 -15.223
654 HA SER 83 HA SER 83 -2.478 0.259 -17.993
655 1HB SER 83 2HB SER 83 -1.248 -2.386 -17.184
656 2HB SER 83 1HB SER 83 -1.964 -2.047 -18.760
657 HG SER 83 HG SER 83 0.332 -1.769 -18.710
658 H HIS 84 H HIS 84 -3.434 -0.643 -14.999
659 HA HIS 84 HA HIS 84 -5.752 -2.178 -15.958
660 1HB HIS 84 2HB HIS 84 -4.070 -2.436 -13.656
661 2HB HIS 84 1HB HIS 84 -5.709 -2.084 -13.120
662 HD2 HIS 84 2HD HIS 84 -7.406 -4.178 -13.151
663 HE1 HIS 84 1HE HIS 84 -4.934 -6.800 -15.371
664 HE2 HIS 84 2HE HIS 84 -7.172 -6.536 -14.208
665 H HIS 85 H HIS 85 -6.184 0.225 -16.718
666 HA HIS 85 HA HIS 85 -7.246 1.978 -14.716
667 1HB HIS 85 2HB HIS 85 -8.211 3.107 -16.898
668 2HB HIS 85 1HB HIS 85 -6.497 3.207 -16.512
669 HD2 HIS 85 2HD HIS 85 -8.488 0.409 -18.485
670 HE1 HIS 85 1HE HIS 85 -5.153 1.721 -20.734
671 HE2 HIS 85 2HE HIS 85 -7.210 0.238 -20.734
672 H HIS 86 H HIS 86 -9.397 2.048 -17.273
673 HA HIS 86 HA HIS 86 -11.618 1.610 -17.453
674 1HB HIS 86 2HB HIS 86 -10.327 -0.840 -17.042
675 2HB HIS 86 1HB HIS 86 -11.720 -0.875 -15.966
676 HD2 HIS 86 2HD HIS 86 -14.072 -1.445 -17.149
677 HE1 HIS 86 1HE HIS 86 -12.735 -1.055 -21.145
678 HE2 HIS 86 2HE HIS 86 -14.726 -1.555 -19.657
679 H HIS 87 H HIS 87 -13.441 0.323 -15.817
680 HA HIS 87 HA HIS 87 -14.843 0.757 -14.079
681 1HB HIS 87 2HB HIS 87 -12.288 0.183 -12.997
682 2HB HIS 87 1HB HIS 87 -12.965 1.498 -12.042
683 HD2 HIS 87 2HD HIS 87 -13.104 -2.251 -12.245
684 HE1 HIS 87 1HE HIS 87 -16.548 -1.031 -10.109
685 HE2 HIS 87 2HE HIS 87 -15.185 -3.017 -10.899
686 H HIS 88 H HIS 88 -15.441 2.719 -15.299
687 HA HIS 88 HA HIS 88 -15.146 5.059 -13.597
688 1HB HIS 88 2HB HIS 88 -13.543 4.837 -15.840
689 2HB HIS 88 1HB HIS 88 -14.900 5.802 -16.413
690 HD2 HIS 88 2HD HIS 88 -15.427 7.989 -14.358
691 HE1 HIS 88 1HE HIS 88 -11.239 8.420 -13.923
692 HE2 HIS 88 2HE HIS 88 -13.498 9.482 -13.473
693 H HIS 89 H HIS 89 -16.885 3.134 -15.787
694 HA HIS 89 HA HIS 89 -19.251 4.783 -15.394
695 1HB HIS 89 2HB HIS 89 -19.862 4.722 -17.775
696 2HB HIS 89 1HB HIS 89 -18.357 5.598 -17.519
697 HD2 HIS 89 2HD HIS 89 -19.741 2.777 -19.617
698 HE1 HIS 89 1HE HIS 89 -15.522 2.544 -19.860
699 HE2 HIS 89 2HE HIS 89 -17.711 1.589 -20.712
Start of MODEL 35
1 1H MET 1 1HT MET 1 1.314 -11.618 19.865
2 2H MET 1 2HT MET 1 2.515 -12.121 20.944
3 3H MET 1 3HT MET 1 2.623 -12.534 19.308
4 HA MET 1 HA MET 1 2.836 -10.184 18.726
5 1HB MET 1 2HB MET 1 2.150 -9.986 21.546
6 2HB MET 1 1HB MET 1 3.586 -9.049 21.161
7 1HG MET 1 2HG MET 1 2.016 -7.477 20.745
8 2HG MET 1 1HG MET 1 2.069 -8.234 19.154
9 1HE MET 1 1HE MET 1 -1.329 -9.529 18.541
10 2HE MET 1 2HE MET 1 0.226 -10.359 18.562
11 3HE MET 1 3HE MET 1 0.112 -8.714 17.936
12 H ARG 2 H ARG 2 4.316 -12.746 19.453
13 HA ARG 2 HA ARG 2 6.962 -11.643 19.148
14 1HB ARG 2 2HB ARG 2 6.021 -12.562 21.739
15 2HB ARG 2 1HB ARG 2 7.420 -13.478 21.196
16 1HG ARG 2 2HG ARG 2 7.641 -10.569 20.869
17 2HG ARG 2 1HG ARG 2 7.544 -11.135 22.538
18 1HD ARG 2 2HD ARG 2 9.324 -12.890 21.599
19 2HD ARG 2 1HD ARG 2 9.655 -11.549 20.503
20 HE ARG 2 HE ARG 2 9.659 -10.373 22.937
21 1HH1 ARG 2 1HH1 ARG 2 11.301 -13.151 21.625
22 2HH1 ARG 2 2HH1 ARG 2 12.690 -12.972 22.644
23 1HH2 ARG 2 1HH2 ARG 2 11.482 -10.133 24.286
24 2HH2 ARG 2 2HH2 ARG 2 12.792 -11.258 24.156
25 H GLY 3 H GLY 3 5.211 -13.275 17.568
26 1HA GLY 3 2HA GLY 3 6.795 -15.025 16.320
27 2HA GLY 3 1HA GLY 3 6.286 -15.975 17.708
28 H SER 4 H SER 4 3.977 -16.329 17.999
29 HA SER 4 HA SER 4 1.988 -17.122 17.231
30 1HB SER 4 2HB SER 4 2.074 -14.939 15.152
31 2HB SER 4 1HB SER 4 0.665 -15.633 15.951
32 HG SER 4 HG SER 4 2.678 -14.220 17.352
33 H ASN 5 H ASN 5 4.387 -18.237 16.095
34 HA ASN 5 HA ASN 5 5.051 -19.683 14.474
35 1HB ASN 5 2HB ASN 5 2.249 -20.035 14.759
36 2HB ASN 5 1HB ASN 5 2.612 -20.123 13.040
37 1HD2 ASN 5 1HD2 ASN 5 1.711 -22.354 13.839
38 2HD2 ASN 5 2HD2 ASN 5 2.929 -23.534 14.171
39 H ALA 6 H ALA 6 4.748 -20.120 11.949
40 HA ALA 6 HA ALA 6 4.245 -17.695 10.445
41 1HB ALA 6 1HB ALA 6 6.850 -18.232 11.378
42 2HB ALA 6 2HB ALA 6 6.340 -16.991 10.234
43 3HB ALA 6 3HB ALA 6 6.847 -18.575 9.648
44 HA PRO 7 HA PRO 7 3.484 -21.770 8.256
45 1HB PRO 7 2HB PRO 7 0.883 -21.305 7.645
46 2HB PRO 7 1HB PRO 7 1.393 -22.040 9.170
47 1HG PRO 7 2HG PRO 7 0.634 -19.203 8.594
48 2HG PRO 7 1HG PRO 7 0.189 -20.221 9.976
49 1HD PRO 7 2HD PRO 7 2.156 -18.360 10.102
50 2HD PRO 7 1HD PRO 7 2.199 -19.863 11.045
51 H GLN 8 H GLN 8 2.783 -22.068 5.987
52 HA GLN 8 HA GLN 8 3.488 -19.705 4.404
53 1HB GLN 8 2HB GLN 8 3.257 -22.511 3.345
54 2HB GLN 8 1HB GLN 8 4.180 -21.166 2.689
55 1HG GLN 8 2HG GLN 8 5.921 -21.483 4.107
56 2HG GLN 8 1HG GLN 8 4.900 -22.113 5.398
57 1HE2 GLN 8 1HE2 GLN 8 7.323 -22.949 3.488
58 2HE2 GLN 8 2HE2 GLN 8 7.011 -24.634 3.272
59 HA PRO 9 HA PRO 9 -0.934 -19.689 3.441
60 1HB PRO 9 2HB PRO 9 -1.067 -17.138 2.617
61 2HB PRO 9 1HB PRO 9 -0.949 -17.553 4.331
62 1HG PRO 9 2HG PRO 9 1.196 -16.640 2.453
63 2HG PRO 9 1HG PRO 9 0.888 -16.140 4.125
64 1HD PRO 9 2HD PRO 9 2.785 -17.980 3.416
65 2HD PRO 9 1HD PRO 9 1.979 -17.957 4.997
66 H SER 10 H SER 10 -2.117 -18.726 1.413
67 HA SER 10 HA SER 10 -0.871 -19.948 -0.891
68 1HB SER 10 2HB SER 10 -3.524 -18.504 -0.819
69 2HB SER 10 1HB SER 10 -2.996 -19.743 -1.957
70 HG SER 10 HG SER 10 -2.783 -20.924 0.299
71 H HIS 11 H HIS 11 -0.622 -16.985 0.483
72 HA HIS 11 HA HIS 11 0.159 -15.767 -2.062
73 1HB HIS 11 2HB HIS 11 -2.207 -15.057 -1.035
74 2HB HIS 11 1HB HIS 11 -1.179 -13.986 -0.088
75 HD2 HIS 11 2HD HIS 11 -1.129 -14.794 -3.965
76 HE1 HIS 11 1HE HIS 11 -1.149 -10.613 -3.316
77 HE2 HIS 11 2HE HIS 11 -0.929 -12.448 -5.051
78 H ILE 12 H ILE 12 0.690 -13.207 -0.816
79 HA ILE 12 HA ILE 12 3.312 -13.720 0.155
80 HB ILE 12 HB ILE 12 2.605 -11.686 -1.134
81 1HG1 ILE 12 2HG1 ILE 12 4.175 -10.247 0.001
82 2HG1 ILE 12 1HG1 ILE 12 4.016 -11.175 1.478
83 1HG2 ILE 12 1HG2 ILE 12 1.823 -10.409 1.431
84 2HG2 ILE 12 2HG2 ILE 12 0.621 -11.371 0.573
85 3HG2 ILE 12 3HG2 ILE 12 1.377 -9.990 -0.223
86 1HD1 ILE 12 1HD1 ILE 12 6.047 -11.517 -0.139
87 2HD1 ILE 12 2HD1 ILE 12 4.909 -12.556 -0.997
88 3HD1 ILE 12 3HD1 ILE 12 5.310 -12.887 0.687
89 H SER 13 H SER 13 4.172 -13.458 2.201
90 HA SER 13 HA SER 13 2.537 -14.139 4.389
91 1HB SER 13 2HB SER 13 5.241 -14.127 3.929
92 2HB SER 13 1HB SER 13 5.064 -12.783 5.055
93 HG SER 13 HG SER 13 3.632 -15.021 5.746
94 H LYS 14 H LYS 14 3.985 -11.078 3.338
95 HA LYS 14 HA LYS 14 1.835 -9.557 4.418
96 1HB LYS 14 2HB LYS 14 3.533 -8.213 5.926
97 2HB LYS 14 1HB LYS 14 2.678 -9.618 6.548
98 1HG LYS 14 2HG LYS 14 4.970 -10.687 5.434
99 2HG LYS 14 1HG LYS 14 5.517 -9.183 6.178
100 1HD LYS 14 2HD LYS 14 3.919 -10.137 8.133
101 2HD LYS 14 1HD LYS 14 4.479 -11.650 7.420
102 1HE LYS 14 2HE LYS 14 6.448 -9.492 8.044
103 2HE LYS 14 1HE LYS 14 5.834 -10.511 9.346
104 1HZ LYS 14 1HZ LYS 14 6.893 -12.335 8.547
105 2HZ LYS 14 2HZ LYS 14 7.961 -11.161 7.962
106 3HZ LYS 14 3HZ LYS 14 6.804 -11.839 6.931
107 H TYR 15 H TYR 15 1.815 -7.450 3.686
108 HA TYR 15 HA TYR 15 3.822 -6.791 1.649
109 1HB TYR 15 2HB TYR 15 0.942 -6.287 1.990
110 2HB TYR 15 1HB TYR 15 1.845 -4.878 1.463
111 HD1 TYR 15 1HD TYR 15 0.118 -7.759 0.411
112 HD2 TYR 15 2HD TYR 15 3.429 -5.277 -0.600
113 HE1 TYR 15 1HE TYR 15 0.002 -8.557 -1.908
114 HE2 TYR 15 2HE TYR 15 3.321 -6.073 -2.924
115 HH TYR 15 HH TYR 15 2.478 -7.886 -4.214
116 H ILE 16 H ILE 16 4.904 -4.803 1.685
117 HA ILE 16 HA ILE 16 4.663 -3.301 4.204
118 HB ILE 16 HB ILE 16 7.028 -4.341 2.838
119 1HG1 ILE 16 2HG1 ILE 16 6.410 -4.778 5.193
120 2HG1 ILE 16 1HG1 ILE 16 8.010 -4.056 5.055
121 1HG2 ILE 16 1HG2 ILE 16 7.240 -2.050 2.031
122 2HG2 ILE 16 2HG2 ILE 16 8.479 -2.411 3.233
123 3HG2 ILE 16 3HG2 ILE 16 7.072 -1.443 3.679
124 1HD1 ILE 16 1HD1 ILE 16 5.708 -2.237 5.488
125 2HD1 ILE 16 2HD1 ILE 16 7.372 -2.120 6.062
126 3HD1 ILE 16 3HD1 ILE 16 6.248 -3.233 6.840
127 H LEU 17 H LEU 17 3.892 -1.329 3.995
128 HA LEU 17 HA LEU 17 4.082 -0.050 1.356
129 1HB LEU 17 2HB LEU 17 1.815 -0.583 2.432
130 2HB LEU 17 1HB LEU 17 2.170 0.731 3.535
131 HG LEU 17 HG LEU 17 2.598 1.695 0.895
132 1HD1 LEU 17 1HD1 LEU 17 1.003 -0.350 0.501
133 2HD1 LEU 17 2HD1 LEU 17 0.719 1.190 -0.313
134 3HD1 LEU 17 3HD1 LEU 17 -0.220 0.760 1.118
135 1HD2 LEU 17 1HD2 LEU 17 1.473 2.517 3.290
136 2HD2 LEU 17 2HD2 LEU 17 0.130 2.541 2.148
137 3HD2 LEU 17 3HD2 LEU 17 1.596 3.460 1.805
138 H ARG 18 H ARG 18 5.605 1.421 1.238
139 HA ARG 18 HA ARG 18 6.163 3.057 3.615
140 1HB ARG 18 2HB ARG 18 7.987 2.151 1.389
141 2HB ARG 18 1HB ARG 18 8.414 3.449 2.496
142 1HG ARG 18 2HG ARG 18 8.891 2.031 4.160
143 2HG ARG 18 1HG ARG 18 7.533 0.968 3.782
144 1HD ARG 18 2HD ARG 18 9.879 0.035 3.445
145 2HD ARG 18 1HD ARG 18 8.734 -0.168 2.124
146 HE ARG 18 HE ARG 18 10.106 1.106 0.824
147 1HH1 ARG 18 1HH1 ARG 18 10.850 1.750 4.166
148 2HH1 ARG 18 2HH1 ARG 18 12.207 2.765 3.803
149 1HH2 ARG 18 1HH2 ARG 18 11.887 2.442 0.336
150 2HH2 ARG 18 2HH2 ARG 18 12.796 3.159 1.624
151 H TRP 19 H TRP 19 5.792 5.183 3.455
152 HA TRP 19 HA TRP 19 5.799 6.406 0.817
153 1HB TRP 19 2HB TRP 19 3.614 7.267 0.891
154 2HB TRP 19 1HB TRP 19 3.457 5.581 1.360
155 HD1 TRP 19 HD TRP 19 2.791 9.077 2.570
156 HE1 TRP 19 1HE TRP 19 1.638 8.979 4.873
157 HE3 TRP 19 3HE TRP 19 3.455 4.112 3.608
158 HZ2 TRP 19 2HZ TRP 19 1.093 7.056 6.865
159 HZ3 TRP 19 3HZ TRP 19 2.590 3.225 5.734
160 HH2 TRP 19 HH TRP 19 1.433 4.669 7.327
161 H ARG 20 H ARG 20 6.152 8.561 0.742
162 HA ARG 20 HA ARG 20 6.379 10.100 3.193
163 1HB ARG 20 2HB ARG 20 8.562 9.639 3.463
164 2HB ARG 20 1HB ARG 20 8.682 8.894 1.877
165 1HG ARG 20 2HG ARG 20 8.537 11.845 1.948
166 2HG ARG 20 1HG ARG 20 10.015 11.098 2.557
167 1HD ARG 20 2HD ARG 20 9.163 9.867 0.090
168 2HD ARG 20 1HD ARG 20 9.354 11.609 -0.105
169 HE ARG 20 HE ARG 20 11.483 9.843 0.919
170 1HH1 ARG 20 1HH1 ARG 20 10.395 12.559 -0.972
171 2HH1 ARG 20 2HH1 ARG 20 11.984 12.982 -1.514
172 1HH2 ARG 20 1HH2 ARG 20 13.579 10.395 0.215
173 2HH2 ARG 20 2HH2 ARG 20 13.794 11.752 -0.840
174 HA PRO 21 HA PRO 21 5.010 13.346 0.535
175 1HB PRO 21 2HB PRO 21 6.781 15.133 2.119
176 2HB PRO 21 1HB PRO 21 5.044 15.251 1.813
177 1HG PRO 21 2HG PRO 21 5.927 14.477 4.194
178 2HG PRO 21 1HG PRO 21 4.518 13.691 3.455
179 1HD PRO 21 2HD PRO 21 7.348 12.725 3.620
180 2HD PRO 21 1HD PRO 21 5.835 11.824 3.861
181 H LYS 22 H LYS 22 5.822 13.240 -1.471
182 HA LYS 22 HA LYS 22 8.608 13.407 -2.064
183 1HB LYS 22 2HB LYS 22 6.097 13.118 -3.599
184 2HB LYS 22 1HB LYS 22 7.438 13.857 -4.462
185 1HG LYS 22 2HG LYS 22 7.574 11.202 -3.048
186 2HG LYS 22 1HG LYS 22 7.282 11.411 -4.775
187 1HD LYS 22 2HD LYS 22 9.440 12.444 -5.066
188 2HD LYS 22 1HD LYS 22 9.727 12.423 -3.325
189 1HE LYS 22 2HE LYS 22 9.086 9.808 -4.488
190 2HE LYS 22 1HE LYS 22 10.588 10.520 -5.076
191 1HZ LYS 22 1HZ LYS 22 11.558 10.384 -3.043
192 2HZ LYS 22 2HZ LYS 22 10.507 9.067 -2.903
193 3HZ LYS 22 3HZ LYS 22 10.105 10.547 -2.191
194 H ASN 23 H ASN 23 6.251 15.758 -1.425
195 HA ASN 23 HA ASN 23 7.607 17.818 -2.994
196 1HB ASN 23 2HB ASN 23 5.730 19.270 -2.310
197 2HB ASN 23 1HB ASN 23 5.176 17.798 -3.101
198 1HD2 ASN 23 1HD2 ASN 23 3.752 16.557 -2.086
199 2HD2 ASN 23 2HD2 ASN 23 3.253 16.746 -0.443
200 H SER 24 H SER 24 7.250 16.729 0.287
201 HA SER 24 HA SER 24 8.659 19.121 1.254
202 1HB SER 24 2HB SER 24 6.554 17.474 2.357
203 2HB SER 24 1HB SER 24 7.926 17.549 3.463
204 HG SER 24 HG SER 24 6.494 19.729 2.347
205 H VAL 25 H VAL 25 9.141 15.882 0.450
206 HA VAL 25 HA VAL 25 10.822 14.383 0.808
207 HB VAL 25 HB VAL 25 12.616 16.675 1.386
208 1HG1 VAL 25 1HG1 VAL 25 14.244 15.374 0.154
209 2HG1 VAL 25 2HG1 VAL 25 13.014 14.167 -0.223
210 3HG1 VAL 25 3HG1 VAL 25 13.537 14.402 1.445
211 1HG2 VAL 25 1HG2 VAL 25 11.647 15.899 -1.353
212 2HG2 VAL 25 2HG2 VAL 25 12.803 17.173 -0.965
213 3HG2 VAL 25 3HG2 VAL 25 11.119 17.330 -0.468
214 H GLY 26 H GLY 26 9.606 13.875 2.862
215 1HA GLY 26 2HA GLY 26 11.244 14.547 5.227
216 2HA GLY 26 1HA GLY 26 9.531 14.160 5.286
217 H ARG 27 H ARG 27 9.963 12.543 6.853
218 HA ARG 27 HA ARG 27 11.595 10.272 6.053
219 1HB ARG 27 2HB ARG 27 10.315 11.186 8.581
220 2HB ARG 27 1HB ARG 27 10.582 9.458 8.384
221 1HG ARG 27 2HG ARG 27 12.763 9.651 8.772
222 2HG ARG 27 1HG ARG 27 12.920 11.021 7.671
223 1HD ARG 27 2HD ARG 27 12.672 12.553 9.322
224 2HD ARG 27 1HD ARG 27 11.549 11.545 10.234
225 HE ARG 27 HE ARG 27 13.358 10.504 11.283
226 1HH1 ARG 27 1HH1 ARG 27 14.410 12.861 8.940
227 2HH1 ARG 27 2HH1 ARG 27 16.033 12.924 9.541
228 1HH2 ARG 27 1HH2 ARG 27 15.492 10.586 12.084
229 2HH2 ARG 27 2HH2 ARG 27 16.647 11.633 11.329
230 H TRP 28 H TRP 28 10.835 8.250 5.581
231 HA TRP 28 HA TRP 28 8.183 8.078 4.542
232 1HB TRP 28 2HB TRP 28 10.266 5.923 4.947
233 2HB TRP 28 1HB TRP 28 8.783 5.737 4.019
234 HD1 TRP 28 HD TRP 28 11.949 7.994 3.932
235 HE1 TRP 28 1HE TRP 28 12.528 8.432 1.462
236 HE3 TRP 28 3HE TRP 28 8.026 5.560 1.736
237 HZ2 TRP 28 2HZ TRP 28 11.459 7.826 -1.082
238 HZ3 TRP 28 3HZ TRP 28 7.876 5.538 -0.720
239 HH2 TRP 28 HH TRP 28 9.558 6.647 -2.098
240 H LYS 29 H LYS 29 6.991 5.884 5.059
241 HA LYS 29 HA LYS 29 6.927 5.370 7.939
242 1HB LYS 29 2HB LYS 29 4.805 6.667 6.353
243 2HB LYS 29 1HB LYS 29 4.260 5.318 7.341
244 1HG LYS 29 2HG LYS 29 4.758 6.381 9.315
245 2HG LYS 29 1HG LYS 29 5.976 7.419 8.572
246 1HD LYS 29 2HD LYS 29 4.396 9.007 8.649
247 2HD LYS 29 1HD LYS 29 3.701 8.174 7.256
248 1HE LYS 29 2HE LYS 29 2.096 8.670 9.127
249 2HE LYS 29 1HE LYS 29 2.169 6.982 8.624
250 1HZ LYS 29 1HZ LYS 29 3.395 8.199 11.036
251 2HZ LYS 29 2HZ LYS 29 3.750 6.633 10.505
252 3HZ LYS 29 3HZ LYS 29 2.175 7.027 10.978
253 H GLU 30 H GLU 30 6.141 3.274 8.458
254 HA GLU 30 HA GLU 30 5.842 1.527 6.102
255 1HB GLU 30 2HB GLU 30 7.178 0.918 8.740
256 2HB GLU 30 1HB GLU 30 6.900 -0.260 7.465
257 1HG GLU 30 2HG GLU 30 8.547 0.567 6.144
258 2HG GLU 30 1HG GLU 30 8.349 2.215 6.737
259 H ALA 31 H ALA 31 4.250 0.091 6.027
260 HA ALA 31 HA ALA 31 2.643 -0.458 8.407
261 1HB ALA 31 1HB ALA 31 1.578 0.678 5.830
262 2HB ALA 31 2HB ALA 31 1.417 1.338 7.457
263 3HB ALA 31 3HB ALA 31 0.562 -0.141 7.017
264 H THR 32 H THR 32 2.401 -2.592 8.574
265 HA THR 32 HA THR 32 2.883 -4.241 6.214
266 HB THR 32 HB THR 32 2.489 -5.566 8.824
267 HG1 THR 32 1HG THR 32 4.951 -4.857 8.986
268 1HG2 THR 32 1HG2 THR 32 3.552 -6.216 6.340
269 2HG2 THR 32 2HG2 THR 32 3.687 -7.168 7.819
270 3HG2 THR 32 3HG2 THR 32 4.965 -6.034 7.380
271 H ILE 33 H ILE 33 1.269 -4.969 5.094
272 HA ILE 33 HA ILE 33 -1.151 -5.939 6.442
273 HB ILE 33 HB ILE 33 -1.494 -4.583 3.808
274 1HG1 ILE 33 2HG1 ILE 33 -1.928 -2.810 6.120
275 2HG1 ILE 33 1HG1 ILE 33 -0.233 -3.154 5.773
276 1HG2 ILE 33 1HG2 ILE 33 -3.391 -4.158 6.013
277 2HG2 ILE 33 2HG2 ILE 33 -3.181 -5.843 5.509
278 3HG2 ILE 33 3HG2 ILE 33 -3.676 -4.626 4.333
279 1HD1 ILE 33 1HD1 ILE 33 -1.652 -2.530 3.354
280 2HD1 ILE 33 2HD1 ILE 33 -0.241 -1.749 4.066
281 3HD1 ILE 33 3HD1 ILE 33 -1.863 -1.256 4.557
282 HA PRO 34 HA PRO 34 0.444 -9.319 3.882
283 1HB PRO 34 2HB PRO 34 -1.876 -10.737 5.051
284 2HB PRO 34 1HB PRO 34 -0.171 -11.190 5.023
285 1HG PRO 34 2HG PRO 34 -1.323 -10.312 7.265
286 2HG PRO 34 1HG PRO 34 0.348 -9.880 6.858
287 1HD PRO 34 2HD PRO 34 -2.148 -8.243 6.617
288 2HD PRO 34 1HD PRO 34 -0.523 -7.750 7.137
289 H GLY 35 H GLY 35 -1.299 -11.280 2.946
290 1HA GLY 35 2HA GLY 35 -2.143 -10.148 0.523
291 2HA GLY 35 1HA GLY 35 -2.524 -11.766 1.078
292 H HIS 36 H HIS 36 -3.718 -8.783 0.269
293 HA HIS 36 HA HIS 36 -5.680 -7.648 1.159
294 1HB HIS 36 2HB HIS 36 -7.366 -8.446 -0.557
295 2HB HIS 36 1HB HIS 36 -5.792 -7.947 -1.175
296 HD2 HIS 36 2HD HIS 36 -4.198 -9.975 -2.216
297 HE1 HIS 36 1HE HIS 36 -7.251 -12.901 -2.096
298 HE2 HIS 36 2HE HIS 36 -5.004 -12.278 -3.092
299 H LEU 37 H LEU 37 -5.698 -8.683 3.338
300 HA LEU 37 HA LEU 37 -7.587 -10.825 3.774
301 1HB LEU 37 2HB LEU 37 -7.084 -9.811 6.258
302 2HB LEU 37 1HB LEU 37 -6.175 -11.096 5.494
303 HG LEU 37 HG LEU 37 -5.336 -8.258 5.077
304 1HD1 LEU 37 1HD1 LEU 37 -3.884 -9.478 7.230
305 2HD1 LEU 37 2HD1 LEU 37 -5.596 -9.355 7.638
306 3HD1 LEU 37 3HD1 LEU 37 -4.694 -7.909 7.172
307 1HD2 LEU 37 1HD2 LEU 37 -3.873 -9.426 3.863
308 2HD2 LEU 37 2HD2 LEU 37 -4.275 -10.943 4.666
309 3HD2 LEU 37 3HD2 LEU 37 -3.136 -9.825 5.414
310 H ASN 38 H ASN 38 -7.981 -7.680 3.061
311 HA ASN 38 HA ASN 38 -9.837 -6.303 3.139
312 1HB ASN 38 2HB ASN 38 -11.229 -8.425 3.704
313 2HB ASN 38 1HB ASN 38 -11.009 -7.953 5.387
314 1HD2 ASN 38 1HD2 ASN 38 -10.996 -5.053 4.269
315 2HD2 ASN 38 2HD2 ASN 38 -12.683 -4.695 4.141
316 H SER 39 H SER 39 -7.428 -6.631 4.485
317 HA SER 39 HA SER 39 -7.479 -5.642 7.126
318 1HB SER 39 2HB SER 39 -5.742 -7.128 6.037
319 2HB SER 39 1HB SER 39 -5.117 -5.664 5.290
320 HG SER 39 HG SER 39 -5.349 -6.224 8.059
321 H TYR 40 H TYR 40 -5.861 -3.871 7.583
322 HA TYR 40 HA TYR 40 -7.067 -1.443 6.824
323 1HB TYR 40 2HB TYR 40 -6.169 -1.646 8.990
324 2HB TYR 40 1HB TYR 40 -4.656 -2.280 8.401
325 HD1 TYR 40 1HD TYR 40 -2.834 -0.926 8.084
326 HD2 TYR 40 2HD TYR 40 -6.679 0.853 8.445
327 HE1 TYR 40 1HE TYR 40 -1.788 1.304 8.139
328 HE2 TYR 40 2HE TYR 40 -5.648 3.088 8.503
329 HH TYR 40 HH TYR 40 -3.730 4.242 8.130
330 H THR 41 H THR 41 -6.809 -0.650 4.849
331 HA THR 41 HA THR 41 -4.144 -0.626 3.598
332 HB THR 41 HB THR 41 -5.245 -0.198 1.494
333 HG1 THR 41 1HG THR 41 -7.012 0.978 1.733
334 1HG2 THR 41 1HG2 THR 41 -5.678 -2.373 1.273
335 2HG2 THR 41 2HG2 THR 41 -7.181 -2.197 2.179
336 3HG2 THR 41 3HG2 THR 41 -5.671 -2.524 3.030
337 H ILE 42 H ILE 42 -3.181 1.312 3.016
338 HA ILE 42 HA ILE 42 -4.125 3.644 4.432
339 HB ILE 42 HB ILE 42 -1.636 2.999 2.901
340 1HG1 ILE 42 2HG1 ILE 42 -1.193 4.296 5.381
341 2HG1 ILE 42 1HG1 ILE 42 -2.473 3.113 5.635
342 1HG2 ILE 42 1HG2 ILE 42 -1.962 5.181 2.104
343 2HG2 ILE 42 2HG2 ILE 42 -0.891 5.367 3.493
344 3HG2 ILE 42 3HG2 ILE 42 -2.608 5.741 3.647
345 1HD1 ILE 42 1HD1 ILE 42 0.373 2.732 5.138
346 2HD1 ILE 42 2HD1 ILE 42 -0.677 1.681 4.188
347 3HD1 ILE 42 3HD1 ILE 42 -0.793 1.687 5.948
348 H LYS 43 H LYS 43 -5.185 5.322 3.648
349 HA LYS 43 HA LYS 43 -5.002 6.318 1.019
350 1HB LYS 43 2HB LYS 43 -7.324 5.776 0.274
351 2HB LYS 43 1HB LYS 43 -6.260 4.378 0.344
352 1HG LYS 43 2HG LYS 43 -7.259 3.628 2.376
353 2HG LYS 43 1HG LYS 43 -8.187 5.122 2.528
354 1HD LYS 43 2HD LYS 43 -9.708 4.497 0.943
355 2HD LYS 43 1HD LYS 43 -8.536 3.531 0.046
356 1HE LYS 43 2HE LYS 43 -10.142 2.050 1.036
357 2HE LYS 43 1HE LYS 43 -8.606 1.853 1.879
358 1HZ LYS 43 1HZ LYS 43 -9.742 2.196 3.738
359 2HZ LYS 43 2HZ LYS 43 -11.132 2.678 2.904
360 3HZ LYS 43 3HZ LYS 43 -9.929 3.811 3.268
361 H GLY 44 H GLY 44 -7.358 7.601 0.669
362 1HA GLY 44 2HA GLY 44 -8.509 9.467 1.343
363 2HA GLY 44 1HA GLY 44 -8.662 8.649 2.889
364 H LEU 45 H LEU 45 -6.705 10.862 0.997
365 HA LEU 45 HA LEU 45 -5.458 11.799 3.494
366 1HB LEU 45 2HB LEU 45 -4.377 12.023 0.672
367 2HB LEU 45 1HB LEU 45 -3.579 12.587 2.131
368 HG LEU 45 HG LEU 45 -2.481 10.587 1.649
369 1HD1 LEU 45 1HD1 LEU 45 -4.502 9.269 3.360
370 2HD1 LEU 45 2HD1 LEU 45 -3.758 10.745 3.981
371 3HD1 LEU 45 3HD1 LEU 45 -2.747 9.370 3.535
372 1HD2 LEU 45 1HD2 LEU 45 -4.907 8.916 1.337
373 2HD2 LEU 45 2HD2 LEU 45 -3.328 8.784 0.562
374 3HD2 LEU 45 3HD2 LEU 45 -4.482 9.998 0.011
375 H LYS 46 H LYS 46 -4.855 14.218 3.389
376 HA LYS 46 HA LYS 46 -7.228 15.632 2.440
377 1HB LYS 46 2HB LYS 46 -6.493 17.449 3.942
378 2HB LYS 46 1HB LYS 46 -6.700 15.918 4.777
379 1HG LYS 46 2HG LYS 46 -4.586 15.892 5.436
380 2HG LYS 46 1HG LYS 46 -3.990 16.276 3.823
381 1HD LYS 46 2HD LYS 46 -3.326 18.018 5.333
382 2HD LYS 46 1HD LYS 46 -4.562 18.657 4.248
383 1HE LYS 46 2HE LYS 46 -5.897 19.148 5.960
384 2HE LYS 46 1HE LYS 46 -5.769 17.508 6.595
385 1HZ LYS 46 1HZ LYS 46 -3.556 18.246 7.530
386 2HZ LYS 46 2HZ LYS 46 -4.933 18.903 8.261
387 3HZ LYS 46 3HZ LYS 46 -4.030 19.832 7.173
388 HA PRO 47 HA PRO 47 -5.585 17.327 -1.299
389 1HB PRO 47 2HB PRO 47 -6.699 19.877 -0.407
390 2HB PRO 47 1HB PRO 47 -7.141 18.881 -1.792
391 1HG PRO 47 2HG PRO 47 -8.395 19.035 0.819
392 2HG PRO 47 1HG PRO 47 -8.964 18.211 -0.640
393 1HD PRO 47 2HD PRO 47 -8.146 16.904 1.609
394 2HD PRO 47 1HD PRO 47 -8.025 16.214 -0.022
395 H GLY 48 H GLY 48 -3.755 18.267 -1.914
396 1HA GLY 48 2HA GLY 48 -2.167 20.032 -1.892
397 2HA GLY 48 1HA GLY 48 -2.530 20.304 -0.200
398 H VAL 49 H VAL 49 -2.209 17.038 -0.376
399 HA VAL 49 HA VAL 49 0.705 17.225 0.055
400 HB VAL 49 HB VAL 49 -0.643 15.048 1.488
401 1HG1 VAL 49 1HG1 VAL 49 1.499 17.071 2.042
402 2HG1 VAL 49 2HG1 VAL 49 1.633 15.316 1.926
403 3HG1 VAL 49 3HG1 VAL 49 0.845 16.050 3.323
404 1HG2 VAL 49 1HG2 VAL 49 -1.894 17.536 1.620
405 2HG2 VAL 49 2HG2 VAL 49 -0.906 17.444 3.077
406 3HG2 VAL 49 3HG2 VAL 49 -2.093 16.185 2.737
407 H VAL 50 H VAL 50 1.954 15.925 -1.118
408 HA VAL 50 HA VAL 50 0.682 13.648 -2.487
409 HB VAL 50 HB VAL 50 2.347 15.640 -3.562
410 1HG1 VAL 50 1HG1 VAL 50 3.828 13.030 -3.670
411 2HG1 VAL 50 2HG1 VAL 50 4.232 14.297 -2.509
412 3HG1 VAL 50 3HG1 VAL 50 4.356 14.613 -4.240
413 1HG2 VAL 50 1HG2 VAL 50 1.430 14.809 -5.410
414 2HG2 VAL 50 2HG2 VAL 50 0.743 13.515 -4.429
415 3HG2 VAL 50 3HG2 VAL 50 2.305 13.288 -5.214
416 H TYR 51 H TYR 51 1.663 11.608 -2.383
417 HA TYR 51 HA TYR 51 3.925 11.338 -0.538
418 1HB TYR 51 2HB TYR 51 1.297 9.862 -0.345
419 2HB TYR 51 1HB TYR 51 2.760 9.351 0.490
420 HD1 TYR 51 1HD TYR 51 3.875 11.176 2.015
421 HD2 TYR 51 2HD TYR 51 -0.184 11.273 0.743
422 HE1 TYR 51 1HE TYR 51 3.327 12.658 3.897
423 HE2 TYR 51 2HE TYR 51 -0.743 12.759 2.622
424 HH TYR 51 HH TYR 51 1.134 13.177 5.253
425 H GLU 52 H GLU 52 5.427 9.931 -1.219
426 HA GLU 52 HA GLU 52 4.987 8.540 -3.715
427 1HB GLU 52 2HB GLU 52 7.170 9.649 -3.089
428 2HB GLU 52 1HB GLU 52 7.395 8.388 -1.887
429 1HG GLU 52 2HG GLU 52 8.617 8.030 -4.028
430 2HG GLU 52 1HG GLU 52 7.556 6.707 -3.550
431 H GLY 53 H GLY 53 4.399 6.437 -3.904
432 1HA GLY 53 2HA GLY 53 4.312 4.879 -1.399
433 2HA GLY 53 1HA GLY 53 3.122 4.744 -2.679
434 H GLN 54 H GLN 54 5.402 3.090 -1.244
435 HA GLN 54 HA GLN 54 6.056 1.560 -3.659
436 1HB GLN 54 2HB GLN 54 8.033 1.993 -1.417
437 2HB GLN 54 1HB GLN 54 8.321 1.213 -2.967
438 1HG GLN 54 2HG GLN 54 7.704 3.502 -3.976
439 2HG GLN 54 1HG GLN 54 7.998 4.118 -2.352
440 1HE2 GLN 54 1HE2 GLN 54 9.671 1.488 -3.986
441 2HE2 GLN 54 2HE2 GLN 54 11.220 2.251 -4.025
442 H LEU 55 H LEU 55 5.092 -0.363 -3.400
443 HA LEU 55 HA LEU 55 4.776 -1.405 -0.676
444 1HB LEU 55 2HB LEU 55 3.143 -1.431 -3.050
445 2HB LEU 55 1HB LEU 55 3.408 -3.064 -2.478
446 HG LEU 55 HG LEU 55 2.295 -0.809 -0.803
447 1HD1 LEU 55 1HD1 LEU 55 1.029 -2.277 -2.804
448 2HD1 LEU 55 2HD1 LEU 55 0.265 -1.301 -1.548
449 3HD1 LEU 55 3HD1 LEU 55 0.523 -3.026 -1.289
450 1HD2 LEU 55 1HD2 LEU 55 3.600 -2.933 0.159
451 2HD2 LEU 55 2HD2 LEU 55 2.005 -3.657 -0.044
452 3HD2 LEU 55 3HD2 LEU 55 2.201 -2.226 0.967
453 H ILE 56 H ILE 56 6.449 -2.613 -0.090
454 HA ILE 56 HA ILE 56 7.582 -4.523 -2.016
455 HB ILE 56 HB ILE 56 8.742 -3.681 0.652
456 1HG1 ILE 56 2HG1 ILE 56 10.412 -2.701 -1.302
457 2HG1 ILE 56 1HG1 ILE 56 8.828 -2.446 -2.012
458 1HG2 ILE 56 1HG2 ILE 56 10.542 -4.998 0.178
459 2HG2 ILE 56 2HG2 ILE 56 10.343 -4.812 -1.566
460 3HG2 ILE 56 3HG2 ILE 56 9.299 -5.919 -0.672
461 1HD1 ILE 56 1HD1 ILE 56 10.111 -0.762 -0.261
462 2HD1 ILE 56 2HD1 ILE 56 8.934 -1.592 0.757
463 3HD1 ILE 56 3HD1 ILE 56 8.399 -0.718 -0.678
464 H SER 57 H SER 57 7.115 -6.637 -1.781
465 HA SER 57 HA SER 57 5.495 -7.447 0.453
466 1HB SER 57 2HB SER 57 6.156 -8.575 -2.186
467 2HB SER 57 1HB SER 57 5.908 -9.755 -0.900
468 HG SER 57 HG SER 57 3.903 -9.426 -1.572
469 H ILE 58 H ILE 58 5.911 -9.101 1.816
470 HA ILE 58 HA ILE 58 8.758 -9.656 2.295
471 HB ILE 58 HB ILE 58 6.554 -9.365 4.330
472 1HG1 ILE 58 2HG1 ILE 58 8.969 -7.671 3.678
473 2HG1 ILE 58 1HG1 ILE 58 7.287 -7.237 3.398
474 1HG2 ILE 58 1HG2 ILE 58 9.478 -9.747 4.904
475 2HG2 ILE 58 2HG2 ILE 58 8.358 -11.104 4.796
476 3HG2 ILE 58 3HG2 ILE 58 8.116 -9.856 6.018
477 1HD1 ILE 58 1HD1 ILE 58 6.862 -6.955 5.680
478 2HD1 ILE 58 2HD1 ILE 58 8.438 -6.210 5.413
479 3HD1 ILE 58 3HD1 ILE 58 8.333 -7.810 6.147
480 H GLN 59 H GLN 59 9.426 -11.670 2.480
481 HA GLN 59 HA GLN 59 7.426 -13.827 2.476
482 1HB GLN 59 2HB GLN 59 9.309 -13.482 0.628
483 2HB GLN 59 1HB GLN 59 10.241 -14.412 1.792
484 1HG GLN 59 2HG GLN 59 8.520 -15.393 -0.132
485 2HG GLN 59 1HG GLN 59 9.254 -16.293 1.192
486 1HE2 GLN 59 1HE2 GLN 59 7.947 -17.207 2.625
487 2HE2 GLN 59 2HE2 GLN 59 6.252 -16.909 2.776
488 H GLN 60 H GLN 60 8.813 -15.958 3.256
489 HA GLN 60 HA GLN 60 8.952 -15.695 6.030
490 1HB GLN 60 2HB GLN 60 9.072 -17.801 4.169
491 2HB GLN 60 1HB GLN 60 10.541 -17.923 5.127
492 1HG GLN 60 2HG GLN 60 7.825 -17.657 6.375
493 2HG GLN 60 1HG GLN 60 8.525 -19.216 5.943
494 1HE2 GLN 60 1HE2 GLN 60 11.020 -19.172 6.675
495 2HE2 GLN 60 2HE2 GLN 60 11.215 -18.824 8.355
496 H TYR 61 H TYR 61 11.368 -15.385 3.536
497 HA TYR 61 HA TYR 61 13.460 -15.001 5.561
498 1HB TYR 61 2HB TYR 61 15.078 -15.338 3.804
499 2HB TYR 61 1HB TYR 61 13.898 -16.644 3.733
500 HD1 TYR 61 1HD TYR 61 11.962 -16.356 2.034
501 HD2 TYR 61 2HD TYR 61 15.578 -14.121 1.886
502 HE1 TYR 61 1HE TYR 61 11.548 -15.855 -0.337
503 HE2 TYR 61 2HE TYR 61 15.175 -13.613 -0.486
504 HH TYR 61 HH TYR 61 13.523 -15.090 -2.429
505 H GLY 62 H GLY 62 11.298 -13.219 3.781
506 1HA GLY 62 2HA GLY 62 11.196 -10.847 3.954
507 2HA GLY 62 1HA GLY 62 12.943 -10.812 4.121
508 H HIS 63 H HIS 63 11.386 -9.179 2.375
509 HA HIS 63 HA HIS 63 11.453 -8.340 0.263
510 1HB HIS 63 2HB HIS 63 13.954 -9.171 0.658
511 2HB HIS 63 1HB HIS 63 13.522 -10.288 -0.632
512 HD2 HIS 63 2HD HIS 63 13.352 -9.213 -3.147
513 HE1 HIS 63 1HE HIS 63 14.336 -5.264 -1.984
514 HE2 HIS 63 2HE HIS 63 13.821 -6.789 -3.944
515 H GLN 64 H GLN 64 10.180 -8.670 -1.509
516 HA GLN 64 HA GLN 64 9.928 -11.279 -2.679
517 1HB GLN 64 2HB GLN 64 7.996 -10.363 -0.689
518 2HB GLN 64 1HB GLN 64 7.266 -10.889 -2.200
519 1HG GLN 64 2HG GLN 64 8.881 -12.445 -0.237
520 2HG GLN 64 1HG GLN 64 7.303 -12.813 -0.931
521 1HE2 GLN 64 1HE2 GLN 64 10.331 -13.856 -0.881
522 2HE2 GLN 64 2HE2 GLN 64 10.475 -14.528 -2.466
523 H GLU 65 H GLU 65 7.702 -8.495 -2.418
524 HA GLU 65 HA GLU 65 8.007 -8.080 -5.318
525 1HB GLU 65 2HB GLU 65 5.930 -9.441 -4.290
526 2HB GLU 65 1HB GLU 65 5.300 -7.807 -4.148
527 1HG GLU 65 2HG GLU 65 4.998 -7.591 -6.362
528 2HG GLU 65 1HG GLU 65 6.500 -8.428 -6.751
529 H VAL 66 H VAL 66 8.637 -6.001 -5.621
530 HA VAL 66 HA VAL 66 7.307 -3.969 -3.966
531 HB VAL 66 HB VAL 66 9.379 -3.694 -3.099
532 1HG1 VAL 66 1HG1 VAL 66 10.855 -4.147 -5.655
533 2HG1 VAL 66 2HG1 VAL 66 10.318 -5.496 -4.652
534 3HG1 VAL 66 3HG1 VAL 66 11.420 -4.290 -3.989
535 1HG2 VAL 66 1HG2 VAL 66 8.636 -1.733 -4.822
536 2HG2 VAL 66 2HG2 VAL 66 10.278 -2.075 -5.368
537 3HG2 VAL 66 3HG2 VAL 66 9.983 -1.621 -3.690
538 H THR 67 H THR 67 6.301 -2.401 -4.958
539 HA THR 67 HA THR 67 6.872 -1.872 -7.797
540 HB THR 67 HB THR 67 4.072 -1.662 -6.740
541 HG1 THR 67 1HG THR 67 4.794 -3.816 -6.302
542 1HG2 THR 67 1HG2 THR 67 3.767 -0.993 -8.849
543 2HG2 THR 67 2HG2 THR 67 4.135 -2.641 -9.357
544 3HG2 THR 67 3HG2 THR 67 5.418 -1.433 -9.287
545 H ARG 68 H ARG 68 6.802 0.277 -8.410
546 HA ARG 68 HA ARG 68 6.523 2.191 -6.200
547 1HB ARG 68 2HB ARG 68 7.872 2.654 -8.859
548 2HB ARG 68 1HB ARG 68 7.957 3.673 -7.428
549 1HG ARG 68 2HG ARG 68 8.874 1.335 -6.431
550 2HG ARG 68 1HG ARG 68 9.435 1.231 -8.100
551 1HD ARG 68 2HD ARG 68 10.081 3.293 -6.020
552 2HD ARG 68 1HD ARG 68 11.184 2.287 -6.957
553 HE ARG 68 HE ARG 68 9.735 4.641 -7.954
554 1HH1 ARG 68 1HH1 ARG 68 12.228 2.230 -8.309
555 2HH1 ARG 68 2HH1 ARG 68 12.986 3.027 -9.648
556 1HH2 ARG 68 1HH2 ARG 68 10.726 5.694 -9.715
557 2HH2 ARG 68 2HH2 ARG 68 12.133 4.996 -10.447
558 H PHE 69 H PHE 69 5.060 3.765 -6.220
559 HA PHE 69 HA PHE 69 3.792 4.660 -8.647
560 1HB PHE 69 2HB PHE 69 1.477 4.218 -7.428
561 2HB PHE 69 1HB PHE 69 2.206 3.023 -8.492
562 HD1 PHE 69 1HD PHE 69 2.270 4.011 -4.888
563 HD2 PHE 69 2HD PHE 69 2.299 0.862 -7.752
564 HE1 PHE 69 1HE PHE 69 2.202 2.360 -3.067
565 HE2 PHE 69 2HE PHE 69 2.237 -0.795 -5.935
566 HZ PHE 69 HZ PHE 69 2.186 -0.045 -3.590
567 H ASP 70 H ASP 70 3.088 6.712 -8.493
568 HA ASP 70 HA ASP 70 3.450 8.032 -5.908
569 1HB ASP 70 2HB ASP 70 3.431 10.128 -7.165
570 2HB ASP 70 1HB ASP 70 4.587 9.006 -7.882
571 H PHE 71 H PHE 71 1.810 9.171 -4.884
572 HA PHE 71 HA PHE 71 -0.785 9.288 -6.166
573 1HB PHE 71 2HB PHE 71 -1.964 8.031 -4.518
574 2HB PHE 71 1HB PHE 71 -0.616 7.038 -5.069
575 HD1 PHE 71 1HD PHE 71 -2.086 8.827 -2.259
576 HD2 PHE 71 2HD PHE 71 1.295 6.624 -3.613
577 HE1 PHE 71 1HE PHE 71 -1.365 8.505 0.072
578 HE2 PHE 71 2HE PHE 71 2.021 6.301 -1.284
579 HZ PHE 71 HZ PHE 71 0.690 7.239 0.562
580 H THR 72 H THR 72 -2.361 10.488 -4.909
581 HA THR 72 HA THR 72 -1.236 12.316 -2.935
582 HB THR 72 HB THR 72 -3.113 13.632 -4.741
583 HG1 THR 72 1HG THR 72 -0.525 13.115 -5.789
584 1HG2 THR 72 1HG2 THR 72 -0.676 14.984 -4.675
585 2HG2 THR 72 2HG2 THR 72 -0.836 14.232 -3.088
586 3HG2 THR 72 3HG2 THR 72 -2.102 15.304 -3.687
587 H THR 73 H THR 73 -2.990 13.695 -2.021
588 HA THR 73 HA THR 73 -4.898 12.144 -0.726
589 HB THR 73 HB THR 73 -5.630 14.153 0.259
590 HG1 THR 73 1HG THR 73 -6.159 15.592 -1.236
591 1HG2 THR 73 1HG2 THR 73 -2.946 13.586 0.053
592 2HG2 THR 73 2HG2 THR 73 -3.661 14.754 1.164
593 3HG2 THR 73 3HG2 THR 73 -3.018 15.292 -0.388
594 H THR 74 H THR 74 -7.018 14.340 -1.127
595 HA THR 74 HA THR 74 -8.661 12.874 -2.937
596 HB THR 74 HB THR 74 -10.402 14.344 -2.371
597 HG1 THR 74 1HG THR 74 -9.965 16.408 -2.469
598 1HG2 THR 74 1HG2 THR 74 -8.657 14.568 0.075
599 2HG2 THR 74 2HG2 THR 74 -9.364 13.037 -0.439
600 3HG2 THR 74 3HG2 THR 74 -10.410 14.390 -0.013
601 H SER 75 H SER 75 -6.126 14.540 -3.763
602 HA SER 75 HA SER 75 -7.303 16.196 -5.857
603 1HB SER 75 2HB SER 75 -5.371 16.987 -4.414
604 2HB SER 75 1HB SER 75 -4.367 15.806 -5.254
605 HG SER 75 HG SER 75 -5.079 18.252 -6.049
606 H THR 76 H THR 76 -5.415 13.272 -5.427
607 HA THR 76 HA THR 76 -4.977 11.517 -6.802
608 HB THR 76 HB THR 76 -6.642 12.665 -9.009
609 HG1 THR 76 1HG THR 76 -8.439 11.579 -7.770
610 1HG2 THR 76 1HG2 THR 76 -7.374 10.211 -9.033
611 2HG2 THR 76 2HG2 THR 76 -6.028 9.927 -7.928
612 3HG2 THR 76 3HG2 THR 76 -5.724 10.569 -9.543
613 H SER 77 H SER 77 -3.430 10.977 -8.280
614 HA SER 77 HA SER 77 -2.519 12.929 -10.232
615 1HB SER 77 2HB SER 77 -0.197 12.892 -9.451
616 2HB SER 77 1HB SER 77 -1.258 13.510 -8.184
617 HG SER 77 HG SER 77 -1.087 10.862 -7.943
618 H THR 78 H THR 78 -3.632 10.102 -9.965
619 HA THR 78 HA THR 78 -1.503 8.667 -11.402
620 HB THR 78 HB THR 78 -2.730 6.600 -10.859
621 HG1 THR 78 1HG THR 78 -4.626 6.657 -9.829
622 1HG2 THR 78 1HG2 THR 78 -1.139 6.845 -9.247
623 2HG2 THR 78 2HG2 THR 78 -2.565 7.001 -8.222
624 3HG2 THR 78 3HG2 THR 78 -1.712 8.444 -8.771
625 HA PRO 79 HA PRO 79 -4.289 9.342 -14.878
626 1HB PRO 79 2HB PRO 79 -2.530 8.839 -16.827
627 2HB PRO 79 1HB PRO 79 -2.445 10.326 -15.873
628 1HG PRO 79 2HG PRO 79 -0.839 7.813 -15.605
629 2HG PRO 79 1HG PRO 79 -0.294 9.499 -15.537
630 1HD PRO 79 2HD PRO 79 -0.775 7.950 -13.321
631 2HD PRO 79 1HD PRO 79 -0.881 9.723 -13.335
632 H GLY 80 H GLY 80 -2.832 6.496 -13.756
633 1HA GLY 80 2HA GLY 80 -4.611 4.640 -14.257
634 2HA GLY 80 1HA GLY 80 -3.980 4.840 -15.885
635 H SER 81 H SER 81 -3.363 3.640 -12.688
636 HA SER 81 HA SER 81 -1.802 2.233 -11.826
637 1HB SER 81 2HB SER 81 -2.753 0.829 -13.700
638 2HB SER 81 1HB SER 81 -1.369 1.321 -14.675
639 HG SER 81 HG SER 81 -0.230 0.518 -12.569
640 H ARG 82 H ARG 82 0.060 2.106 -14.747
641 HA ARG 82 HA ARG 82 1.796 4.283 -14.226
642 1HB ARG 82 2HB ARG 82 2.256 2.440 -12.386
643 2HB ARG 82 1HB ARG 82 3.178 1.692 -13.682
644 1HG ARG 82 2HG ARG 82 4.383 3.903 -13.921
645 2HG ARG 82 1HG ARG 82 3.617 4.371 -12.401
646 1HD ARG 82 2HD ARG 82 5.534 3.497 -11.552
647 2HD ARG 82 1HD ARG 82 4.592 2.009 -11.651
648 HE ARG 82 HE ARG 82 6.617 2.845 -13.626
649 1HH1 ARG 82 1HH1 ARG 82 4.808 0.383 -11.947
650 2HH1 ARG 82 2HH1 ARG 82 5.663 -0.930 -12.685
651 1HH2 ARG 82 1HH2 ARG 82 7.744 1.122 -14.605
652 2HH2 ARG 82 2HH2 ARG 82 7.332 -0.510 -14.196
653 H SER 83 H SER 83 2.958 1.085 -15.128
654 HA SER 83 HA SER 83 2.791 1.758 -17.966
655 1HB SER 83 2HB SER 83 5.417 0.687 -17.074
656 2HB SER 83 1HB SER 83 5.041 1.810 -18.381
657 HG SER 83 HG SER 83 4.652 3.399 -16.723
658 H HIS 84 H HIS 84 4.576 -0.369 -18.747
659 HA HIS 84 HA HIS 84 2.750 -2.522 -18.788
660 1HB HIS 84 2HB HIS 84 5.485 -2.008 -19.793
661 2HB HIS 84 1HB HIS 84 5.059 -3.699 -19.558
662 HD2 HIS 84 2HD HIS 84 2.708 -0.909 -21.045
663 HE1 HIS 84 1HE HIS 84 3.271 -4.007 -23.872
664 HE2 HIS 84 2HE HIS 84 2.186 -1.757 -23.439
665 H HIS 85 H HIS 85 3.976 -4.835 -18.370
666 HA HIS 85 HA HIS 85 5.071 -4.815 -15.654
667 1HB HIS 85 2HB HIS 85 2.447 -5.272 -15.939
668 2HB HIS 85 1HB HIS 85 3.036 -6.899 -16.259
669 HD2 HIS 85 2HD HIS 85 5.131 -5.116 -13.621
670 HE1 HIS 85 1HE HIS 85 2.311 -7.533 -11.595
671 HE2 HIS 85 2HE HIS 85 4.500 -6.274 -11.387
672 H HIS 86 H HIS 86 5.801 -5.502 -18.596
673 HA HIS 86 HA HIS 86 7.117 -6.991 -19.698
674 1HB HIS 86 2HB HIS 86 8.448 -6.487 -17.523
675 2HB HIS 86 1HB HIS 86 7.976 -8.115 -17.048
676 HD2 HIS 86 2HD HIS 86 10.268 -9.485 -17.374
677 HE1 HIS 86 1HE HIS 86 11.093 -8.180 -21.314
678 HE2 HIS 86 2HE HIS 86 11.913 -9.595 -19.376
679 H HIS 87 H HIS 87 5.235 -8.108 -20.475
680 HA HIS 87 HA HIS 87 4.101 -10.329 -19.138
681 1HB HIS 87 2HB HIS 87 4.128 -9.957 -22.129
682 2HB HIS 87 1HB HIS 87 2.900 -10.739 -21.138
683 HD2 HIS 87 2HD HIS 87 2.732 -7.897 -23.163
684 HE1 HIS 87 1HE HIS 87 1.276 -6.381 -19.488
685 HE2 HIS 87 2HE HIS 87 1.577 -5.908 -21.963
686 H HIS 88 H HIS 88 4.939 -12.264 -18.793
687 HA HIS 88 HA HIS 88 7.142 -13.178 -20.516
688 1HB HIS 88 2HB HIS 88 7.590 -12.851 -18.052
689 2HB HIS 88 1HB HIS 88 6.474 -14.179 -17.747
690 HD2 HIS 88 2HD HIS 88 7.383 -16.718 -18.515
691 HE1 HIS 88 1HE HIS 88 11.363 -15.432 -19.158
692 HE2 HIS 88 2HE HIS 88 9.860 -17.439 -18.780
693 H HIS 89 H HIS 89 4.306 -14.372 -18.728
694 HA HIS 89 HA HIS 89 4.305 -16.846 -20.234
695 1HB HIS 89 2HB HIS 89 3.507 -16.257 -17.712
696 2HB HIS 89 1HB HIS 89 1.965 -16.170 -18.557
697 HD2 HIS 89 2HD HIS 89 1.302 -18.516 -17.068
698 HE1 HIS 89 1HE HIS 89 3.735 -20.994 -19.488
699 HE2 HIS 89 2HE HIS 89 2.017 -20.948 -17.623
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