Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16253 | 1zv6 RC | 6718 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HT1 PRO 9 HT1 PRO 9 101.110 12.882 -8.238
2 HT2 PRO 9 HT2 PRO 9 102.083 13.216 -6.953
3 HA PRO 9 HA PRO 9 102.672 12.534 -9.572
4 1HB PRO 9 1HB PRO 9 104.859 14.175 -8.825
5 2HB PRO 9 2HB PRO 9 103.777 14.383 -10.208
6 1HG PRO 9 1HG PRO 9 103.676 15.642 -7.521
7 2HG PRO 9 2HG PRO 9 103.160 16.288 -9.089
8 1HD PRO 9 1HD PRO 9 101.361 15.489 -7.288
9 2HD PRO 9 2HD PRO 9 101.113 15.171 -9.016
10 H GLY 10 H GLY 10 104.375 11.065 -9.537
11 1HA GLY 10 1HA GLY 10 106.220 9.942 -8.550
12 2HA GLY 10 2HA GLY 10 105.762 10.606 -6.991
13 H LEU 11 H LEU 11 105.796 8.683 -5.923
14 HA LEU 11 HA LEU 11 103.736 6.736 -6.713
15 1HB LEU 11 1HB LEU 11 105.363 5.328 -5.058
16 2HB LEU 11 2HB LEU 11 105.427 5.284 -6.811
17 HG LEU 11 HG LEU 11 107.107 7.304 -6.445
18 1HD1 LEU 11 1HD1 LEU 11 107.309 5.745 -3.872
19 2HD1 LEU 11 2HD1 LEU 11 106.839 7.437 -4.040
20 3HD1 LEU 11 3HD1 LEU 11 108.481 6.934 -4.442
21 1HD2 LEU 11 1HD2 LEU 11 107.406 4.917 -7.397
22 2HD2 LEU 11 2HD2 LEU 11 108.140 4.567 -5.832
23 3HD2 LEU 11 3HD2 LEU 11 108.827 5.819 -6.868
24 H GLN 12 H GLN 12 102.845 5.465 -4.876
25 HA GLN 12 HA GLN 12 102.006 7.263 -2.787
26 1HB GLN 12 1HB GLN 12 100.843 5.020 -1.991
27 2HB GLN 12 2HB GLN 12 100.205 5.966 -3.324
28 1HG GLN 12 1HG GLN 12 102.165 3.858 -4.006
29 2HG GLN 12 2HG GLN 12 100.585 3.329 -3.437
30 1HE2 GLN 12 1HE2 GLN 12 102.166 3.596 -6.135
31 2HE2 GLN 12 2HE2 GLN 12 100.940 4.149 -7.219
32 H ILE 13 H ILE 13 102.647 7.333 -0.717
33 HA ILE 13 HA ILE 13 104.859 5.580 0.049
34 HB ILE 13 HB ILE 13 103.966 8.044 1.525
35 1HG1 ILE 13 1HG1 ILE 13 104.598 8.376 -0.973
36 2HG1 ILE 13 2HG1 ILE 13 105.379 9.392 0.237
37 1HG2 ILE 13 1HG2 ILE 13 106.536 6.474 1.456
38 2HG2 ILE 13 2HG2 ILE 13 105.391 6.583 2.795
39 3HG2 ILE 13 3HG2 ILE 13 106.318 8.004 2.311
40 1HD1 ILE 13 1HD1 ILE 13 106.955 8.599 -1.443
41 2HD1 ILE 13 2HD1 ILE 13 106.576 6.931 -1.013
42 3HD1 ILE 13 3HD1 ILE 13 107.358 7.989 0.163
43 H TYR 14 H TYR 14 104.800 4.248 1.795
44 HA TYR 14 HA TYR 14 102.451 4.282 3.552
45 1HB TYR 14 1HB TYR 14 103.501 1.841 2.098
46 2HB TYR 14 2HB TYR 14 102.239 1.827 3.327
47 HD1 TYR 14 HD1 TYR 14 102.996 2.296 -0.155
48 HD2 TYR 14 HD2 TYR 14 100.066 3.021 2.844
49 HE1 TYR 14 HE1 TYR 14 101.308 2.651 -1.898
50 HE2 TYR 14 HE2 TYR 14 98.368 3.382 1.105
51 HH TYR 14 HH TYR 14 98.567 2.407 -1.893
52 HA PRO 15 HA PRO 15 105.068 3.234 6.980
53 1HB PRO 15 1HB PRO 15 103.786 0.561 7.267
54 2HB PRO 15 2HB PRO 15 103.966 1.860 8.458
55 1HG PRO 15 1HG PRO 15 101.607 1.380 7.321
56 2HG PRO 15 2HG PRO 15 102.144 3.041 7.636
57 1HD PRO 15 1HD PRO 15 102.091 1.518 5.062
58 2HD PRO 15 2HD PRO 15 101.717 3.230 5.370
59 H TYR 16 H TYR 16 106.753 1.652 7.770
60 HA TYR 16 HA TYR 16 108.190 0.629 5.530
61 1HB TYR 16 1HB TYR 16 109.571 1.562 7.135
62 2HB TYR 16 2HB TYR 16 108.673 0.847 8.474
63 HD1 TYR 16 HD1 TYR 16 110.657 -0.252 5.517
64 HD2 TYR 16 HD2 TYR 16 109.649 -0.855 9.586
65 HE1 TYR 16 HE1 TYR 16 112.283 -2.085 5.608
66 HE2 TYR 16 HE2 TYR 16 111.282 -2.702 9.729
67 HH TYR 16 HH TYR 16 113.665 -3.182 7.945
68 H GLU 17 H GLU 17 106.978 -0.924 8.512
69 HA GLU 17 HA GLU 17 107.533 -3.565 7.856
70 1HB GLU 17 1HB GLU 17 105.348 -2.355 9.544
71 2HB GLU 17 2HB GLU 17 105.545 -4.095 9.383
72 1HG GLU 17 1HG GLU 17 108.073 -3.322 10.022
73 2HG GLU 17 2HG GLU 17 107.101 -2.152 10.921
74 H MET 18 H MET 18 104.869 -1.541 6.775
75 HA MET 18 HA MET 18 103.315 -3.685 5.680
76 1HB MET 18 1HB MET 18 103.229 -0.691 5.310
77 2HB MET 18 2HB MET 18 102.120 -1.783 4.492
78 1HG MET 18 1HG MET 18 101.712 -2.645 6.955
79 2HG MET 18 2HG MET 18 102.272 -1.017 7.354
80 1HE MET 18 1HE MET 18 99.106 -2.340 7.847
81 2HE MET 18 2HE MET 18 99.550 -3.266 6.413
82 3HE MET 18 3HE MET 18 98.144 -2.201 6.375
83 H LEU 19 H LEU 19 105.892 -1.624 4.515
84 HA LEU 19 HA LEU 19 105.544 -2.563 1.772
85 1HB LEU 19 1HB LEU 19 107.491 -0.560 2.903
86 2HB LEU 19 2HB LEU 19 107.264 -0.918 1.198
87 HG LEU 19 HG LEU 19 105.141 0.259 2.994
88 1HD1 LEU 19 1HD1 LEU 19 107.067 1.552 1.080
89 2HD1 LEU 19 2HD1 LEU 19 106.848 1.892 2.797
90 3HD1 LEU 19 3HD1 LEU 19 105.589 2.331 1.643
91 1HD2 LEU 19 1HD2 LEU 19 104.895 -1.052 0.579
92 2HD2 LEU 19 2HD2 LEU 19 104.894 0.655 0.141
93 3HD2 LEU 19 3HD2 LEU 19 103.721 0.041 1.303
94 H VAL 20 H VAL 20 106.875 -3.983 4.328
95 HA VAL 20 HA VAL 20 109.542 -4.524 3.533
96 HB VAL 20 HB VAL 20 107.818 -6.356 5.206
97 1HG1 VAL 20 1HG1 VAL 20 110.167 -6.532 6.344
98 2HG1 VAL 20 2HG1 VAL 20 110.737 -6.005 4.762
99 3HG1 VAL 20 3HG1 VAL 20 109.793 -7.489 4.909
100 1HG2 VAL 20 1HG2 VAL 20 108.369 -5.117 7.130
101 2HG2 VAL 20 2HG2 VAL 20 107.761 -3.958 5.949
102 3HG2 VAL 20 3HG2 VAL 20 109.493 -4.092 6.239
103 H VAL 21 H VAL 21 110.387 -6.591 2.698
104 HA VAL 21 HA VAL 21 108.688 -7.510 0.524
105 HB VAL 21 HB VAL 21 111.606 -8.055 1.064
106 1HG1 VAL 21 1HG1 VAL 21 109.758 -8.873 -1.129
107 2HG1 VAL 21 2HG1 VAL 21 111.043 -9.786 -0.338
108 3HG1 VAL 21 3HG1 VAL 21 111.446 -8.530 -1.508
109 1HG2 VAL 21 1HG2 VAL 21 110.323 -6.138 -0.877
110 2HG2 VAL 21 2HG2 VAL 21 112.050 -6.389 -0.634
111 3HG2 VAL 21 3HG2 VAL 21 111.072 -5.681 0.653
112 H THR 22 H THR 22 110.998 -9.334 2.589
113 HA THR 22 HA THR 22 109.166 -11.622 2.385
114 HB THR 22 HB THR 22 112.113 -11.568 3.042
115 HG1 THR 22 HG1 THR 22 112.125 -11.275 0.943
116 1HG2 THR 22 1HG2 THR 22 111.216 -13.524 4.037
117 2HG2 THR 22 2HG2 THR 22 111.991 -14.006 2.528
118 3HG2 THR 22 3HG2 THR 22 110.235 -13.872 2.614
119 H ASN 23 H ASN 23 111.216 -9.948 4.727
120 HA ASN 23 HA ASN 23 110.800 -11.437 6.978
121 1HB ASN 23 1HB ASN 23 111.011 -8.425 6.832
122 2HB ASN 23 2HB ASN 23 111.284 -9.405 8.276
123 1HD2 ASN 23 1HD2 ASN 23 112.508 -8.508 5.134
124 2HD2 ASN 23 2HD2 ASN 23 114.108 -9.122 5.365
125 H LYS 24 H LYS 24 108.594 -8.970 5.676
126 HA LYS 24 HA LYS 24 106.669 -9.737 7.773
127 1HB LYS 24 1HB LYS 24 107.426 -7.139 6.637
128 2HB LYS 24 2HB LYS 24 105.687 -7.385 6.764
129 1HG LYS 24 1HG LYS 24 106.654 -6.262 8.729
130 2HG LYS 24 2HG LYS 24 105.871 -7.790 9.129
131 1HD LYS 24 1HD LYS 24 107.968 -7.585 10.334
132 2HD LYS 24 2HD LYS 24 108.074 -8.891 9.154
133 1HE LYS 24 1HE LYS 24 110.098 -7.767 8.901
134 2HE LYS 24 2HE LYS 24 109.105 -7.121 7.598
135 1HZ LYS 24 1HZ LYS 24 110.167 -5.297 8.619
136 2HZ LYS 24 2HZ LYS 24 109.773 -5.823 10.177
137 3HZ LYS 24 3HZ LYS 24 108.561 -5.244 9.150
138 H GLY 25 H GLY 25 107.100 -11.086 5.151
139 1HA GLY 25 1HA GLY 25 104.822 -12.090 4.402
140 2HA GLY 25 2HA GLY 25 104.575 -10.469 3.774
141 H ARG 26 H ARG 26 104.613 -10.741 1.622
142 HA ARG 26 HA ARG 26 107.122 -11.596 0.426
143 1HB ARG 26 1HB ARG 26 105.645 -12.889 -1.333
144 2HB ARG 26 2HB ARG 26 106.194 -13.674 0.135
145 1HG ARG 26 1HG ARG 26 103.463 -12.452 -0.220
146 2HG ARG 26 2HG ARG 26 103.838 -14.153 -0.451
147 1HD ARG 26 1HD ARG 26 104.871 -13.618 2.044
148 2HD ARG 26 2HD ARG 26 103.403 -12.638 2.000
149 HE ARG 26 HE ARG 26 103.070 -15.377 1.134
150 1HH1 ARG 26 1HH1 ARG 26 102.962 -13.161 3.845
151 2HH1 ARG 26 2HH1 ARG 26 101.917 -14.171 4.785
152 1HH2 ARG 26 1HH2 ARG 26 101.694 -16.702 2.379
153 2HH2 ARG 26 2HH2 ARG 26 101.197 -16.181 3.955
154 H THR 27 H THR 27 103.843 -10.944 -0.859
155 HA THR 27 HA THR 27 104.858 -8.517 -2.097
156 HB THR 27 HB THR 27 103.589 -10.892 -3.337
157 HG1 THR 27 HG1 THR 27 105.535 -9.050 -4.267
158 1HG2 THR 27 1HG2 THR 27 101.988 -9.353 -3.995
159 2HG2 THR 27 2HG2 THR 27 103.088 -9.504 -5.370
160 3HG2 THR 27 3HG2 THR 27 103.185 -8.092 -4.304
161 H LYS 28 H LYS 28 103.207 -9.232 0.247
162 HA LYS 28 HA LYS 28 100.503 -8.527 -0.258
163 1HB LYS 28 1HB LYS 28 102.171 -8.748 2.218
164 2HB LYS 28 2HB LYS 28 100.457 -8.353 2.277
165 1HG LYS 28 1HG LYS 28 101.287 -10.826 2.578
166 2HG LYS 28 2HG LYS 28 99.801 -10.465 1.702
167 1HD LYS 28 1HD LYS 28 101.148 -10.512 -0.419
168 2HD LYS 28 2HD LYS 28 102.513 -11.095 0.533
169 1HE LYS 28 1HE LYS 28 101.450 -13.119 1.028
170 2HE LYS 28 2HE LYS 28 99.857 -12.488 0.616
171 1HZ LYS 28 1HZ LYS 28 100.184 -12.835 -1.585
172 2HZ LYS 28 2HZ LYS 28 101.205 -14.052 -1.005
173 3HZ LYS 28 3HZ LYS 28 101.855 -12.576 -1.515
174 H LEU 29 H LEU 29 102.584 -6.564 -1.096
175 HA LEU 29 HA LEU 29 102.763 -4.305 0.439
176 1HB LEU 29 1HB LEU 29 102.846 -4.943 -2.456
177 2HB LEU 29 2HB LEU 29 102.740 -3.260 -2.002
178 HG LEU 29 HG LEU 29 104.997 -3.621 -2.290
179 1HD1 LEU 29 1HD1 LEU 29 104.584 -4.151 0.639
180 2HD1 LEU 29 2HD1 LEU 29 104.465 -2.563 -0.117
181 3HD1 LEU 29 3HD1 LEU 29 106.000 -3.428 -0.114
182 1HD2 LEU 29 1HD2 LEU 29 106.148 -5.533 -1.870
183 2HD2 LEU 29 2HD2 LEU 29 104.540 -6.164 -2.226
184 3HD2 LEU 29 3HD2 LEU 29 105.077 -6.008 -0.553
185 HA PRO 30 HA PRO 30 98.819 -2.280 0.460
186 1HB PRO 30 1HB PRO 30 100.376 0.204 -0.008
187 2HB PRO 30 2HB PRO 30 99.285 -0.204 1.325
188 1HG PRO 30 1HG PRO 30 101.941 -0.122 1.666
189 2HG PRO 30 2HG PRO 30 100.931 -1.316 2.507
190 1HD PRO 30 1HD PRO 30 102.715 -1.676 0.134
191 2HD PRO 30 2HD PRO 30 102.395 -2.780 1.485
192 HA PRO 31 HA PRO 31 97.633 -1.209 -3.677
193 1HB PRO 31 1HB PRO 31 96.918 1.591 -3.082
194 2HB PRO 31 2HB PRO 31 95.892 0.256 -3.627
195 1HG PRO 31 1HG PRO 31 95.752 1.208 -1.121
196 2HG PRO 31 2HG PRO 31 95.528 -0.514 -1.480
197 1HD PRO 31 1HD PRO 31 97.929 0.898 -0.380
198 2HD PRO 31 2HD PRO 31 97.237 -0.673 0.078
199 H GLY 32 H GLY 32 99.405 -1.168 -5.009
200 1HA GLY 32 1HA GLY 32 100.605 0.020 -6.654
201 2HA GLY 32 2HA GLY 32 100.444 1.476 -5.694
202 H VAL 33 H VAL 33 101.817 -1.718 -4.786
203 HA VAL 33 HA VAL 33 104.452 -0.454 -4.585
204 HB VAL 33 HB VAL 33 104.079 -2.302 -2.421
205 1HG1 VAL 33 1HG1 VAL 33 105.804 -0.418 -3.010
206 2HG1 VAL 33 2HG1 VAL 33 105.452 -0.867 -1.344
207 3HG1 VAL 33 3HG1 VAL 33 104.696 0.561 -2.051
208 1HG2 VAL 33 1HG2 VAL 33 102.006 -0.276 -2.779
209 2HG2 VAL 33 2HG2 VAL 33 102.815 -0.221 -1.217
210 3HG2 VAL 33 3HG2 VAL 33 102.036 -1.707 -1.753
211 H ASP 34 H ASP 34 106.128 -1.629 -5.137
212 HA ASP 34 HA ASP 34 105.902 -4.528 -5.368
213 1HB ASP 34 1HB ASP 34 105.231 -3.475 -7.576
214 2HB ASP 34 2HB ASP 34 106.881 -2.857 -7.692
215 H ARG 35 H ARG 35 107.895 -5.605 -5.329
216 HA ARG 35 HA ARG 35 109.895 -4.573 -3.740
217 1HB ARG 35 1HB ARG 35 109.630 -6.914 -5.516
218 2HB ARG 35 2HB ARG 35 111.279 -6.440 -5.142
219 1HG ARG 35 1HG ARG 35 110.810 -7.960 -3.479
220 2HG ARG 35 2HG ARG 35 110.466 -6.418 -2.688
221 1HD ARG 35 1HD ARG 35 108.524 -7.397 -2.131
222 2HD ARG 35 2HD ARG 35 108.046 -6.995 -3.778
223 HE ARG 35 HE ARG 35 108.771 -9.625 -2.749
224 1HH1 ARG 35 1HH1 ARG 35 107.881 -7.676 -5.525
225 2HH1 ARG 35 2HH1 ARG 35 107.505 -9.045 -6.513
226 1HH2 ARG 35 1HH2 ARG 35 108.269 -11.415 -4.058
227 2HH2 ARG 35 2HH2 ARG 35 107.722 -11.164 -5.682
228 H MET 36 H MET 36 109.510 -4.203 -7.193
229 HA MET 36 HA MET 36 112.033 -3.648 -8.091
230 1HB MET 36 1HB MET 36 109.343 -2.563 -8.813
231 2HB MET 36 2HB MET 36 110.775 -1.855 -9.549
232 1HG MET 36 1HG MET 36 111.380 -3.893 -10.571
233 2HG MET 36 2HG MET 36 110.213 -4.804 -9.607
234 1HE MET 36 1HE MET 36 111.044 -3.332 -12.833
235 2HE MET 36 2HE MET 36 109.581 -3.687 -13.752
236 3HE MET 36 3HE MET 36 110.434 -4.985 -12.917
237 H ARG 37 H ARG 37 109.883 -1.411 -6.335
238 HA ARG 37 HA ARG 37 112.232 0.212 -5.699
239 1HB ARG 37 1HB ARG 37 110.890 2.302 -6.130
240 2HB ARG 37 2HB ARG 37 111.383 1.412 -7.559
241 1HG ARG 37 1HG ARG 37 108.705 0.840 -6.407
242 2HG ARG 37 2HG ARG 37 108.939 2.353 -7.283
243 1HD ARG 37 1HD ARG 37 110.107 0.620 -8.990
244 2HD ARG 37 2HD ARG 37 108.885 -0.426 -8.269
245 HE ARG 37 HE ARG 37 107.548 1.869 -8.942
246 1HH1 ARG 37 1HH1 ARG 37 109.464 -0.490 -10.680
247 2HH1 ARG 37 2HH1 ARG 37 108.610 -0.268 -12.169
248 1HH2 ARG 37 1HH2 ARG 37 106.427 2.158 -10.906
249 2HH2 ARG 37 2HH2 ARG 37 106.886 1.236 -12.298
250 H LEU 38 H LEU 38 110.964 -1.565 -3.968
251 HA LEU 38 HA LEU 38 108.980 -0.363 -2.372
252 1HB LEU 38 1HB LEU 38 110.831 -2.664 -2.086
253 2HB LEU 38 2HB LEU 38 110.135 -2.014 -0.605
254 HG LEU 38 HG LEU 38 108.545 -2.980 -2.988
255 1HD1 LEU 38 1HD1 LEU 38 109.485 -4.896 -1.994
256 2HD1 LEU 38 2HD1 LEU 38 107.858 -4.770 -1.327
257 3HD1 LEU 38 3HD1 LEU 38 109.247 -4.268 -0.365
258 1HD2 LEU 38 1HD2 LEU 38 106.614 -2.587 -1.734
259 2HD2 LEU 38 2HD2 LEU 38 107.589 -1.132 -1.541
260 3HD2 LEU 38 3HD2 LEU 38 107.524 -2.326 -0.248
261 H GLU 39 H GLU 39 112.494 -0.208 -2.307
262 HA GLU 39 HA GLU 39 112.727 1.174 0.171
263 1HB GLU 39 1HB GLU 39 115.001 1.375 -0.304
264 2HB GLU 39 2HB GLU 39 114.541 -0.120 -1.104
265 1HG GLU 39 1HG GLU 39 114.968 2.564 -2.402
266 2HG GLU 39 2HG GLU 39 116.016 1.154 -2.516
267 H ARG 40 H ARG 40 111.226 2.194 -2.585
268 HA ARG 40 HA ARG 40 112.015 5.003 -2.172
269 1HB ARG 40 1HB ARG 40 112.120 3.558 -4.495
270 2HB ARG 40 2HB ARG 40 110.552 4.336 -4.626
271 1HG ARG 40 1HG ARG 40 112.746 6.103 -3.798
272 2HG ARG 40 2HG ARG 40 112.886 5.441 -5.427
273 1HD ARG 40 1HD ARG 40 110.471 6.190 -5.756
274 2HD ARG 40 2HD ARG 40 110.678 7.123 -4.275
275 HE ARG 40 HE ARG 40 112.798 7.809 -5.893
276 1HH1 ARG 40 1HH1 ARG 40 109.307 7.975 -6.108
277 2HH1 ARG 40 2HH1 ARG 40 109.314 9.371 -7.130
278 1HH2 ARG 40 1HH2 ARG 40 112.801 9.649 -7.239
279 2HH2 ARG 40 2HH2 ARG 40 111.297 10.322 -7.773
280 H HIS 41 H HIS 41 109.614 2.711 -1.741
281 HA HIS 41 HA HIS 41 107.358 4.507 -1.968
282 1HB HIS 41 1HB HIS 41 107.795 1.587 -1.525
283 2HB HIS 41 2HB HIS 41 106.287 2.296 -0.979
284 HD1 HIS 41 HD1 HIS 41 105.065 3.792 -3.018
285 HD2 HIS 41 HD2 HIS 41 107.679 0.742 -4.078
286 HE1 HIS 41 HE1 HIS 41 104.533 3.252 -5.415
287 HE2 HIS 41 HE2 HIS 41 106.187 1.466 -6.061
288 H LEU 42 H LEU 42 109.701 3.810 0.341
289 HA LEU 42 HA LEU 42 108.046 4.037 2.678
290 1HB LEU 42 1HB LEU 42 111.039 4.110 2.284
291 2HB LEU 42 2HB LEU 42 110.232 4.084 3.848
292 HG LEU 42 HG LEU 42 109.339 1.896 2.175
293 1HD1 LEU 42 1HD1 LEU 42 112.168 2.495 2.124
294 2HD1 LEU 42 2HD1 LEU 42 111.251 1.283 1.232
295 3HD1 LEU 42 3HD1 LEU 42 111.842 0.920 2.861
296 1HD2 LEU 42 1HD2 LEU 42 109.116 2.244 4.637
297 2HD2 LEU 42 2HD2 LEU 42 110.836 1.876 4.766
298 3HD2 LEU 42 3HD2 LEU 42 109.716 0.663 4.141
299 H SER 43 H SER 43 107.910 5.809 4.025
300 HA SER 43 HA SER 43 108.171 8.369 2.782
301 1HB SER 43 1HB SER 43 107.234 9.270 4.829
302 2HB SER 43 2HB SER 43 106.356 7.797 4.400
303 HG SER 43 HG SER 43 107.135 6.818 6.118
304 H ALA 44 H ALA 44 109.248 10.219 4.011
305 HA ALA 44 HA ALA 44 111.998 9.868 4.036
306 1HB ALA 44 1HB ALA 44 110.419 11.971 5.520
307 2HB ALA 44 2HB ALA 44 110.946 12.063 3.839
308 3HB ALA 44 3HB ALA 44 112.139 12.052 5.138
309 H GLU 45 H GLU 45 109.690 9.487 6.652
310 HA GLU 45 HA GLU 45 111.647 9.252 8.730
311 1HB GLU 45 1HB GLU 45 109.185 7.823 9.304
312 2HB GLU 45 2HB GLU 45 109.882 9.210 10.117
313 1HG GLU 45 1HG GLU 45 108.892 10.635 8.295
314 2HG GLU 45 2HG GLU 45 108.029 9.194 7.759
315 H ASP 46 H ASP 46 109.577 6.917 7.038
316 HA ASP 46 HA ASP 46 110.597 4.576 8.126
317 1HB ASP 46 1HB ASP 46 109.354 5.153 5.439
318 2HB ASP 46 2HB ASP 46 109.833 3.524 5.919
319 H PHE 47 H PHE 47 111.593 6.164 5.065
320 HA PHE 47 HA PHE 47 113.589 4.341 4.406
321 1HB PHE 47 1HB PHE 47 112.528 6.238 3.004
322 2HB PHE 47 2HB PHE 47 113.799 7.250 3.702
323 HD1 PHE 47 HD1 PHE 47 113.523 3.838 2.263
324 HD2 PHE 47 HD2 PHE 47 115.630 7.524 2.373
325 HE1 PHE 47 HE1 PHE 47 115.126 2.972 0.591
326 HE2 PHE 47 HE2 PHE 47 117.230 6.674 0.706
327 HZ PHE 47 HZ PHE 47 116.978 4.398 -0.186
328 H SER 48 H SER 48 114.012 7.558 5.930
329 HA SER 48 HA SER 48 116.772 7.239 6.359
330 1HB SER 48 1HB SER 48 115.317 9.388 6.436
331 2HB SER 48 2HB SER 48 115.067 8.972 8.131
332 HG SER 48 HG SER 48 117.131 9.373 8.554
333 H ARG 49 H ARG 49 114.153 5.769 7.969
334 HA ARG 49 HA ARG 49 115.581 5.407 10.481
335 1HB ARG 49 1HB ARG 49 113.213 5.861 10.637
336 2HB ARG 49 2HB ARG 49 112.842 4.533 9.548
337 1HG ARG 49 1HG ARG 49 112.363 3.535 11.522
338 2HG ARG 49 2HG ARG 49 114.077 3.129 11.420
339 1HD ARG 49 1HD ARG 49 114.661 4.927 12.888
340 2HD ARG 49 2HD ARG 49 113.011 5.559 12.849
341 HE ARG 49 HE ARG 49 113.157 2.872 13.838
342 1HH1 ARG 49 1HH1 ARG 49 113.488 6.241 14.737
343 2HH1 ARG 49 2HH1 ARG 49 113.126 5.957 16.406
344 1HH2 ARG 49 1HH2 ARG 49 112.683 2.506 16.038
345 2HH2 ARG 49 2HH2 ARG 49 112.670 3.838 17.145
346 H VAL 50 H VAL 50 114.415 3.477 7.739
347 HA VAL 50 HA VAL 50 115.534 1.030 8.810
348 HB VAL 50 HB VAL 50 114.443 1.423 6.026
349 1HG1 VAL 50 1HG1 VAL 50 115.740 -0.679 6.815
350 2HG1 VAL 50 2HG1 VAL 50 114.239 -0.869 5.909
351 3HG1 VAL 50 3HG1 VAL 50 114.244 -1.067 7.661
352 1HG2 VAL 50 1HG2 VAL 50 112.715 0.336 8.181
353 2HG2 VAL 50 2HG2 VAL 50 112.283 1.190 6.700
354 3HG2 VAL 50 3HG2 VAL 50 112.918 2.084 8.082
355 H PHE 51 H PHE 51 116.374 3.416 6.352
356 HA PHE 51 HA PHE 51 118.716 1.811 5.597
357 1HB PHE 51 1HB PHE 51 117.539 4.220 4.201
358 2HB PHE 51 2HB PHE 51 118.835 3.187 3.597
359 HD1 PHE 51 HD1 PHE 51 118.342 1.333 2.294
360 HD2 PHE 51 HD2 PHE 51 115.245 3.133 4.575
361 HE1 PHE 51 HE1 PHE 51 116.691 -0.084 1.159
362 HE2 PHE 51 HE2 PHE 51 113.588 1.719 3.450
363 HZ PHE 51 HZ PHE 51 114.310 0.116 1.732
364 H ALA 52 H ALA 52 117.793 5.008 6.800
365 HA ALA 52 HA ALA 52 118.997 6.524 8.037
366 1HB ALA 52 1HB ALA 52 121.506 4.948 7.623
367 2HB ALA 52 2HB ALA 52 120.292 4.443 8.799
368 3HB ALA 52 3HB ALA 52 121.077 6.015 8.959
369 H MET 53 H MET 53 118.961 6.126 4.964
370 HA MET 53 HA MET 53 120.807 8.328 4.348
371 1HB MET 53 1HB MET 53 120.821 6.931 2.022
372 2HB MET 53 2HB MET 53 122.089 6.859 3.241
373 1HG MET 53 1HG MET 53 121.560 4.763 3.871
374 2HG MET 53 2HG MET 53 119.828 5.007 3.623
375 1HE MET 53 1HE MET 53 118.990 5.598 1.166
376 2HE MET 53 2HE MET 53 119.629 4.819 -0.281
377 3HE MET 53 3HE MET 53 120.432 6.236 0.376
378 H SER 54 H SER 54 120.224 9.529 2.471
379 HA SER 54 HA SER 54 117.453 10.119 2.416
380 1HB SER 54 1HB SER 54 119.814 11.047 0.780
381 2HB SER 54 2HB SER 54 118.175 11.662 0.511
382 HG SER 54 HG SER 54 118.239 12.706 2.384
383 HA PRO 55 HA PRO 55 115.821 7.421 -0.709
384 1HB PRO 55 1HB PRO 55 114.528 9.898 -1.760
385 2HB PRO 55 2HB PRO 55 113.802 8.337 -1.360
386 1HG PRO 55 1HG PRO 55 113.499 10.441 0.253
387 2HG PRO 55 2HG PRO 55 113.716 8.804 0.908
388 1HD PRO 55 1HD PRO 55 115.650 11.070 0.781
389 2HD PRO 55 2HD PRO 55 115.475 9.797 2.010
390 H GLU 56 H GLU 56 117.122 10.590 -1.574
391 HA GLU 56 HA GLU 56 117.655 9.923 -4.307
392 1HB GLU 56 1HB GLU 56 118.654 12.054 -4.484
393 2HB GLU 56 2HB GLU 56 117.341 12.267 -3.328
394 1HG GLU 56 1HG GLU 56 118.939 12.132 -1.484
395 2HG GLU 56 2HG GLU 56 120.256 11.924 -2.645
396 H GLU 57 H GLU 57 119.423 9.818 -1.258
397 HA GLU 57 HA GLU 57 122.009 9.423 -2.166
398 1HB GLU 57 1HB GLU 57 120.565 8.816 0.360
399 2HB GLU 57 2HB GLU 57 121.933 7.764 0.022
400 1HG GLU 57 1HG GLU 57 123.372 9.733 -0.235
401 2HG GLU 57 2HG GLU 57 121.998 10.763 0.164
402 H PHE 58 H PHE 58 119.576 6.901 -1.415
403 HA PHE 58 HA PHE 58 120.881 4.591 -2.083
404 1HB PHE 58 1HB PHE 58 118.317 5.199 -1.494
405 2HB PHE 58 2HB PHE 58 118.132 4.907 -3.221
406 HD1 PHE 58 HD1 PHE 58 118.499 3.422 0.033
407 HD2 PHE 58 HD2 PHE 58 118.781 2.669 -4.145
408 HE1 PHE 58 HE1 PHE 58 118.338 1.019 0.466
409 HE2 PHE 58 HE2 PHE 58 118.614 0.249 -3.714
410 HZ PHE 58 HZ PHE 58 118.391 -0.576 -1.400
411 H GLY 59 H GLY 59 119.030 6.552 -4.453
412 1HA GLY 59 1HA GLY 59 119.715 5.079 -6.724
413 2HA GLY 59 2HA GLY 59 119.251 6.773 -6.728
414 H LYS 60 H LYS 60 121.509 7.595 -5.049
415 HA LYS 60 HA LYS 60 123.527 7.695 -7.147
416 1HB LYS 60 1HB LYS 60 123.237 9.220 -4.555
417 2HB LYS 60 2HB LYS 60 124.563 9.447 -5.695
418 1HG LYS 60 1HG LYS 60 123.048 10.226 -7.387
419 2HG LYS 60 2HG LYS 60 121.652 9.848 -6.367
420 1HD LYS 60 1HD LYS 60 122.216 11.558 -4.818
421 2HD LYS 60 2HD LYS 60 123.803 11.795 -5.553
422 1HE LYS 60 1HE LYS 60 122.348 12.324 -7.690
423 2HE LYS 60 2HE LYS 60 121.119 12.691 -6.481
424 1HZ LYS 60 1HZ LYS 60 122.390 14.654 -7.093
425 2HZ LYS 60 2HZ LYS 60 123.827 13.906 -6.608
426 3HZ LYS 60 3HZ LYS 60 122.635 14.268 -5.463
427 H LEU 61 H LEU 61 122.969 5.563 -4.704
428 HA LEU 61 HA LEU 61 125.588 5.400 -3.581
429 1HB LEU 61 1HB LEU 61 123.155 3.603 -3.443
430 2HB LEU 61 2HB LEU 61 124.619 3.320 -2.532
431 HG LEU 61 HG LEU 61 122.650 5.535 -2.186
432 1HD1 LEU 61 1HD1 LEU 61 123.695 3.321 -0.471
433 2HD1 LEU 61 2HD1 LEU 61 122.042 3.607 -1.014
434 3HD1 LEU 61 3HD1 LEU 61 122.781 4.686 0.169
435 1HD2 LEU 61 1HD2 LEU 61 124.243 6.328 -0.379
436 2HD2 LEU 61 2HD2 LEU 61 124.700 6.693 -2.043
437 3HD2 LEU 61 3HD2 LEU 61 125.477 5.361 -1.188
438 H ALA 62 H ALA 62 125.300 2.349 -3.806
439 HA ALA 62 HA ALA 62 126.266 2.028 -6.557
440 1HB ALA 62 1HB ALA 62 127.515 0.637 -4.201
441 2HB ALA 62 2HB ALA 62 128.133 2.138 -4.886
442 3HB ALA 62 3HB ALA 62 128.086 0.674 -5.868
443 H LEU 63 H LEU 63 126.383 -0.360 -7.179
444 HA LEU 63 HA LEU 63 123.806 -1.497 -6.884
445 1HB LEU 63 1HB LEU 63 125.459 -1.733 -8.815
446 2HB LEU 63 2HB LEU 63 126.234 -2.979 -7.851
447 HG LEU 63 HG LEU 63 123.408 -3.486 -7.998
448 1HD1 LEU 63 1HD1 LEU 63 124.813 -3.237 -10.652
449 2HD1 LEU 63 2HD1 LEU 63 123.485 -2.226 -10.082
450 3HD1 LEU 63 3HD1 LEU 63 123.219 -3.943 -10.381
451 1HD2 LEU 63 1HD2 LEU 63 124.102 -5.642 -8.443
452 2HD2 LEU 63 2HD2 LEU 63 125.487 -4.982 -7.570
453 3HD2 LEU 63 3HD2 LEU 63 125.532 -5.112 -9.329
454 H TRP 64 H TRP 64 126.816 -2.048 -5.177
455 HA TRP 64 HA TRP 64 125.882 -4.460 -3.926
456 1HB TRP 64 1HB TRP 64 128.069 -4.181 -2.677
457 2HB TRP 64 2HB TRP 64 128.223 -4.328 -4.434
458 HD1 TRP 64 HD1 TRP 64 129.241 -2.254 -5.705
459 HE1 TRP 64 HE1 TRP 64 130.197 -0.003 -4.931
460 HE3 TRP 64 HE3 TRP 64 127.629 -2.407 -1.030
461 HZ2 TRP 64 HZ2 TRP 64 130.249 1.507 -2.475
462 HZ3 TRP 64 HZ3 TRP 64 128.167 -0.526 0.522
463 HH2 TRP 64 HH2 TRP 64 129.429 1.382 -0.207
464 H LYS 65 H LYS 65 126.192 -1.056 -3.363
465 HA LYS 65 HA LYS 65 125.597 -1.079 -0.570
466 1HB LYS 65 1HB LYS 65 126.616 0.809 -2.124
467 2HB LYS 65 2HB LYS 65 124.924 1.274 -2.288
468 1HG LYS 65 1HG LYS 65 124.716 1.784 -0.025
469 2HG LYS 65 2HG LYS 65 126.168 0.869 0.408
470 1HD LYS 65 1HD LYS 65 127.573 2.506 -0.674
471 2HD LYS 65 2HD LYS 65 126.155 3.382 -1.267
472 1HE LYS 65 1HE LYS 65 126.789 4.621 0.591
473 2HE LYS 65 2HE LYS 65 125.516 3.570 1.232
474 1HZ LYS 65 1HZ LYS 65 127.465 3.679 2.686
475 2HZ LYS 65 2HZ LYS 65 128.436 3.047 1.454
476 3HZ LYS 65 3HZ LYS 65 127.198 2.106 2.122
477 H ARG 66 H ARG 66 123.633 -0.018 -3.364
478 HA ARG 66 HA ARG 66 121.186 0.273 -2.158
479 1HB ARG 66 1HB ARG 66 121.752 -0.883 -4.893
480 2HB ARG 66 2HB ARG 66 120.185 -0.286 -4.358
481 1HG ARG 66 1HG ARG 66 121.114 1.935 -4.065
482 2HG ARG 66 2HG ARG 66 122.700 1.336 -4.557
483 1HD ARG 66 1HD ARG 66 120.399 0.903 -6.393
484 2HD ARG 66 2HD ARG 66 121.071 2.536 -6.257
485 HE ARG 66 HE ARG 66 122.807 0.242 -6.880
486 1HH1 ARG 66 1HH1 ARG 66 121.478 3.364 -7.779
487 2HH1 ARG 66 2HH1 ARG 66 122.575 3.579 -9.099
488 1HH2 ARG 66 1HH2 ARG 66 124.240 0.542 -8.620
489 2HH2 ARG 66 2HH2 ARG 66 124.139 1.982 -9.577
490 H ASN 67 H ASN 67 122.676 -2.667 -3.395
491 HA ASN 67 HA ASN 67 120.530 -4.423 -2.860
492 1HB ASN 67 1HB ASN 67 123.406 -4.699 -3.453
493 2HB ASN 67 2HB ASN 67 122.724 -6.026 -2.511
494 1HD2 ASN 67 1HD2 ASN 67 122.264 -4.128 -5.459
495 2HD2 ASN 67 2HD2 ASN 67 121.522 -5.397 -6.368
496 H GLU 68 H GLU 68 123.531 -4.127 -0.954
497 HA GLU 68 HA GLU 68 122.873 -5.513 1.281
498 1HB GLU 68 1HB GLU 68 124.617 -3.129 0.828
499 2HB GLU 68 2HB GLU 68 124.354 -3.694 2.472
500 1HG GLU 68 1HG GLU 68 125.623 -5.527 2.192
501 2HG GLU 68 2HG GLU 68 125.096 -5.771 0.528
502 H LEU 69 H LEU 69 121.900 -2.177 0.536
503 HA LEU 69 HA LEU 69 120.830 -1.602 3.094
504 1HB LEU 69 1HB LEU 69 119.900 -0.434 0.485
505 2HB LEU 69 2HB LEU 69 119.742 0.266 2.084
506 HG LEU 69 HG LEU 69 122.433 -0.319 1.074
507 1HD1 LEU 69 1HD1 LEU 69 122.515 1.301 -0.467
508 2HD1 LEU 69 2HD1 LEU 69 121.413 2.342 0.433
509 3HD1 LEU 69 3HD1 LEU 69 120.777 1.027 -0.548
510 1HD2 LEU 69 1HD2 LEU 69 122.313 0.457 3.314
511 2HD2 LEU 69 2HD2 LEU 69 121.222 1.767 2.861
512 3HD2 LEU 69 3HD2 LEU 69 122.906 1.799 2.336
513 H LYS 70 H LYS 70 119.193 -2.338 0.056
514 HA LYS 70 HA LYS 70 116.614 -2.839 1.106
515 1HB LYS 70 1HB LYS 70 118.110 -3.575 -1.367
516 2HB LYS 70 2HB LYS 70 116.639 -4.469 -1.010
517 1HG LYS 70 1HG LYS 70 115.341 -2.446 -1.021
518 2HG LYS 70 2HG LYS 70 116.803 -1.469 -1.196
519 1HD LYS 70 1HD LYS 70 116.196 -1.544 -3.383
520 2HD LYS 70 2HD LYS 70 117.108 -3.053 -3.323
521 1HE LYS 70 1HE LYS 70 115.141 -4.350 -3.160
522 2HE LYS 70 2HE LYS 70 114.149 -2.936 -2.801
523 1HZ LYS 70 1HZ LYS 70 114.519 -2.139 -5.044
524 2HZ LYS 70 2HZ LYS 70 113.857 -3.694 -5.082
525 3HZ LYS 70 3HZ LYS 70 115.504 -3.471 -5.391
526 H LYS 71 H LYS 71 119.540 -4.695 1.099
527 HA LYS 71 HA LYS 71 118.312 -7.215 1.733
528 1HB LYS 71 1HB LYS 71 121.144 -6.209 1.454
529 2HB LYS 71 2HB LYS 71 120.807 -7.820 2.107
530 1HG LYS 71 1HG LYS 71 119.784 -8.514 0.092
531 2HG LYS 71 2HG LYS 71 119.721 -6.858 -0.521
532 1HD LYS 71 1HD LYS 71 121.633 -7.318 -1.582
533 2HD LYS 71 2HD LYS 71 122.411 -7.270 0.001
534 1HE LYS 71 1HE LYS 71 121.138 -9.772 -1.070
535 2HE LYS 71 2HE LYS 71 122.802 -9.337 -1.458
536 1HZ LYS 71 1HZ LYS 71 122.800 -10.792 0.418
537 2HZ LYS 71 2HZ LYS 71 121.678 -9.834 1.245
538 3HZ LYS 71 3HZ LYS 71 123.240 -9.251 0.961
539 H LYS 72 H LYS 72 119.689 -4.554 3.535
540 HA LYS 72 HA LYS 72 119.646 -6.069 6.016
541 1HB LYS 72 1HB LYS 72 121.633 -4.793 5.798
542 2HB LYS 72 2HB LYS 72 120.751 -3.373 5.256
543 1HG LYS 72 1HG LYS 72 120.019 -4.301 7.940
544 2HG LYS 72 2HG LYS 72 121.694 -3.761 7.773
545 1HD LYS 72 1HD LYS 72 121.036 -1.637 7.805
546 2HD LYS 72 2HD LYS 72 119.994 -1.916 6.410
547 1HE LYS 72 1HE LYS 72 118.145 -1.917 7.667
548 2HE LYS 72 2HE LYS 72 118.870 -2.978 8.874
549 1HZ LYS 72 1HZ LYS 72 118.289 -0.827 9.809
550 2HZ LYS 72 2HZ LYS 72 119.284 -0.042 8.689
551 3HZ LYS 72 3HZ LYS 72 119.964 -1.062 9.854
552 H ALA 73 H ALA 73 118.008 -3.559 4.287
553 HA ALA 73 HA ALA 73 116.428 -2.583 6.455
554 1HB ALA 73 1HB ALA 73 116.769 -2.034 3.602
555 2HB ALA 73 2HB ALA 73 116.461 -0.930 4.941
556 3HB ALA 73 3HB ALA 73 115.123 -1.801 4.191
557 H GLU 74 H GLU 74 116.351 -5.545 5.094
558 HA GLU 74 HA GLU 74 114.857 -7.246 5.169
559 1HB GLU 74 1HB GLU 74 112.971 -5.221 6.384
560 2HB GLU 74 2HB GLU 74 112.713 -6.954 6.338
561 1HG GLU 74 1HG GLU 74 114.980 -7.070 7.592
562 2HG GLU 74 2HG GLU 74 114.656 -5.377 7.962
563 H LEU 75 H LEU 75 114.881 -5.002 2.995
564 HA LEU 75 HA LEU 75 112.634 -6.137 1.552
565 1HB LEU 75 1HB LEU 75 112.669 -3.470 0.725
566 2HB LEU 75 2HB LEU 75 111.388 -4.310 1.599
567 HG LEU 75 HG LEU 75 113.137 -3.580 3.583
568 1HD1 LEU 75 1HD1 LEU 75 114.521 -2.200 2.265
569 2HD1 LEU 75 2HD1 LEU 75 113.442 -1.112 3.146
570 3HD1 LEU 75 3HD1 LEU 75 113.136 -1.477 1.442
571 1HD2 LEU 75 1HD2 LEU 75 111.403 -1.591 3.747
572 2HD2 LEU 75 2HD2 LEU 75 110.937 -3.259 4.076
573 3HD2 LEU 75 3HD2 LEU 75 110.577 -2.535 2.508
574 H PHE 76 H PHE 76 114.600 -7.273 0.726
575 HA PHE 76 HA PHE 76 115.696 -5.764 -1.561
576 1HB PHE 76 1HB PHE 76 117.693 -6.238 -0.618
577 2HB PHE 76 2HB PHE 76 117.018 -7.507 0.410
578 HD1 PHE 76 HD1 PHE 76 117.242 -9.783 -0.177
579 HD2 PHE 76 HD2 PHE 76 118.311 -6.757 -2.973
580 HE1 PHE 76 HE1 PHE 76 118.302 -11.482 -1.605
581 HE2 PHE 76 HE2 PHE 76 119.371 -8.451 -4.406
582 HZ PHE 76 HZ PHE 76 119.367 -10.817 -3.724
Start of MODEL 2
1 HT1 PRO 9 HT1 PRO 9 99.976 13.551 -9.846
2 HT2 PRO 9 HT2 PRO 9 100.688 12.144 -9.376
3 HA PRO 9 HA PRO 9 101.754 14.506 -9.522
4 1HB PRO 9 1HB PRO 9 102.072 14.125 -6.662
5 2HB PRO 9 2HB PRO 9 101.619 15.585 -7.550
6 1HG PRO 9 1HG PRO 9 99.876 14.200 -5.987
7 2HG PRO 9 2HG PRO 9 99.378 15.138 -7.407
8 1HD PRO 9 1HD PRO 9 99.819 12.177 -7.151
9 2HD PRO 9 2HD PRO 9 98.503 13.048 -7.963
10 H GLY 10 H GLY 10 101.927 11.800 -7.191
11 1HA GLY 10 1HA GLY 10 104.342 10.838 -8.525
12 2HA GLY 10 2HA GLY 10 104.506 11.316 -6.844
13 H LEU 11 H LEU 11 104.643 9.595 -5.634
14 HA LEU 11 HA LEU 11 102.835 7.344 -6.189
15 1HB LEU 11 1HB LEU 11 104.549 5.926 -5.104
16 2HB LEU 11 2HB LEU 11 105.067 6.652 -6.612
17 HG LEU 11 HG LEU 11 105.886 8.446 -4.623
18 1HD1 LEU 11 1HD1 LEU 11 107.045 5.847 -3.809
19 2HD1 LEU 11 2HD1 LEU 11 105.428 6.231 -3.218
20 3HD1 LEU 11 3HD1 LEU 11 106.775 7.317 -2.871
21 1HD2 LEU 11 1HD2 LEU 11 108.008 8.059 -5.487
22 2HD2 LEU 11 2HD2 LEU 11 106.941 7.617 -6.820
23 3HD2 LEU 11 3HD2 LEU 11 107.669 6.360 -5.820
24 H GLN 12 H GLN 12 102.310 6.021 -4.248
25 HA GLN 12 HA GLN 12 101.596 7.804 -2.057
26 1HB GLN 12 1HB GLN 12 100.448 5.499 -1.315
27 2HB GLN 12 2HB GLN 12 99.696 6.621 -2.437
28 1HG GLN 12 1HG GLN 12 101.445 4.433 -3.468
29 2HG GLN 12 2HG GLN 12 99.784 4.089 -2.985
30 1HE2 GLN 12 1HE2 GLN 12 101.427 4.386 -5.611
31 2HE2 GLN 12 2HE2 GLN 12 100.353 5.280 -6.627
32 H ILE 13 H ILE 13 102.463 7.763 -0.084
33 HA ILE 13 HA ILE 13 104.663 5.903 0.397
34 HB ILE 13 HB ILE 13 103.948 8.158 2.236
35 1HG1 ILE 13 1HG1 ILE 13 104.029 9.003 -0.140
36 2HG1 ILE 13 2HG1 ILE 13 105.226 9.709 0.940
37 1HG2 ILE 13 1HG2 ILE 13 106.402 6.576 1.571
38 2HG2 ILE 13 2HG2 ILE 13 105.643 6.849 3.141
39 3HG2 ILE 13 3HG2 ILE 13 106.525 8.155 2.347
40 1HD1 ILE 13 1HD1 ILE 13 106.211 9.220 -1.205
41 2HD1 ILE 13 2HD1 ILE 13 105.717 7.532 -1.073
42 3HD1 ILE 13 3HD1 ILE 13 106.920 8.190 0.038
43 H TYR 14 H TYR 14 104.385 4.167 1.639
44 HA TYR 14 HA TYR 14 102.241 4.213 3.664
45 1HB TYR 14 1HB TYR 14 103.141 1.868 1.976
46 2HB TYR 14 2HB TYR 14 101.921 1.801 3.247
47 HD1 TYR 14 HD1 TYR 14 102.478 2.234 -0.212
48 HD2 TYR 14 HD2 TYR 14 99.894 3.424 2.951
49 HE1 TYR 14 HE1 TYR 14 100.747 2.820 -1.855
50 HE2 TYR 14 HE2 TYR 14 98.154 4.013 1.317
51 HH TYR 14 HH TYR 14 97.507 3.590 -0.919
52 HA PRO 15 HA PRO 15 104.897 3.026 6.966
53 1HB PRO 15 1HB PRO 15 103.486 0.389 7.052
54 2HB PRO 15 2HB PRO 15 103.849 1.516 8.370
55 1HG PRO 15 1HG PRO 15 101.395 1.380 7.359
56 2HG PRO 15 2HG PRO 15 102.106 2.944 7.802
57 1HD PRO 15 1HD PRO 15 101.679 1.750 5.107
58 2HD PRO 15 2HD PRO 15 101.615 3.452 5.612
59 H TYR 16 H TYR 16 106.548 1.436 7.636
60 HA TYR 16 HA TYR 16 107.877 0.357 5.312
61 1HB TYR 16 1HB TYR 16 109.368 1.467 6.698
62 2HB TYR 16 2HB TYR 16 108.611 0.863 8.170
63 HD1 TYR 16 HD1 TYR 16 109.296 -1.163 9.159
64 HD2 TYR 16 HD2 TYR 16 110.873 -0.006 5.388
65 HE1 TYR 16 HE1 TYR 16 111.012 -2.920 9.347
66 HE2 TYR 16 HE2 TYR 16 112.593 -1.756 5.548
67 HH TYR 16 HH TYR 16 113.702 -3.027 7.828
68 H GLU 17 H GLU 17 107.025 -0.961 8.524
69 HA GLU 17 HA GLU 17 107.613 -3.612 8.125
70 1HB GLU 17 1HB GLU 17 106.009 -2.092 9.959
71 2HB GLU 17 2HB GLU 17 105.158 -3.574 9.547
72 1HG GLU 17 1HG GLU 17 106.571 -4.849 10.709
73 2HG GLU 17 2HG GLU 17 107.989 -3.975 10.123
74 H MET 18 H MET 18 104.936 -1.810 6.795
75 HA MET 18 HA MET 18 103.558 -4.194 5.884
76 1HB MET 18 1HB MET 18 103.051 -1.245 5.487
77 2HB MET 18 2HB MET 18 102.075 -2.494 4.723
78 1HG MET 18 1HG MET 18 102.053 -3.272 7.340
79 2HG MET 18 2HG MET 18 102.062 -1.512 7.470
80 1HE MET 18 1HE MET 18 99.326 -4.432 5.663
81 2HE MET 18 2HE MET 18 98.850 -4.160 7.339
82 3HE MET 18 3HE MET 18 100.515 -4.595 6.955
83 H LEU 19 H LEU 19 105.788 -1.819 4.679
84 HA LEU 19 HA LEU 19 105.522 -2.732 1.931
85 1HB LEU 19 1HB LEU 19 107.019 -0.516 3.279
86 2HB LEU 19 2HB LEU 19 107.386 -0.971 1.623
87 HG LEU 19 HG LEU 19 104.672 -0.080 2.599
88 1HD1 LEU 19 1HD1 LEU 19 105.144 1.998 1.393
89 2HD1 LEU 19 2HD1 LEU 19 106.782 1.433 1.065
90 3HD1 LEU 19 3HD1 LEU 19 106.273 1.746 2.725
91 1HD2 LEU 19 1HD2 LEU 19 104.931 -1.642 0.575
92 2HD2 LEU 19 2HD2 LEU 19 105.612 -0.235 -0.233
93 3HD2 LEU 19 3HD2 LEU 19 103.963 -0.182 0.393
94 H VAL 20 H VAL 20 106.941 -4.081 4.456
95 HA VAL 20 HA VAL 20 109.629 -4.451 3.637
96 HB VAL 20 HB VAL 20 107.964 -6.280 5.378
97 1HG1 VAL 20 1HG1 VAL 20 110.332 -6.489 6.449
98 2HG1 VAL 20 2HG1 VAL 20 110.882 -5.991 4.849
99 3HG1 VAL 20 3HG1 VAL 20 109.916 -7.456 5.033
100 1HG2 VAL 20 1HG2 VAL 20 109.504 -3.784 6.023
101 2HG2 VAL 20 2HG2 VAL 20 108.985 -4.950 7.239
102 3HG2 VAL 20 3HG2 VAL 20 107.791 -4.096 6.267
103 H VAL 21 H VAL 21 110.487 -6.724 3.017
104 HA VAL 21 HA VAL 21 108.827 -7.611 0.773
105 HB VAL 21 HB VAL 21 111.762 -8.027 1.315
106 1HG1 VAL 21 1HG1 VAL 21 111.250 -8.392 -1.399
107 2HG1 VAL 21 2HG1 VAL 21 109.977 -9.288 -0.570
108 3HG1 VAL 21 3HG1 VAL 21 111.671 -9.633 -0.218
109 1HG2 VAL 21 1HG2 VAL 21 110.393 -6.194 -0.649
110 2HG2 VAL 21 2HG2 VAL 21 112.130 -6.359 -0.394
111 3HG2 VAL 21 3HG2 VAL 21 111.113 -5.692 0.882
112 H THR 22 H THR 22 111.206 -9.327 2.838
113 HA THR 22 HA THR 22 109.492 -11.701 2.614
114 HB THR 22 HB THR 22 112.426 -11.457 3.282
115 HG1 THR 22 HG1 THR 22 111.056 -12.395 0.986
116 1HG2 THR 22 1HG2 THR 22 111.439 -13.411 4.391
117 2HG2 THR 22 2HG2 THR 22 112.565 -13.856 3.109
118 3HG2 THR 22 3HG2 THR 22 110.826 -13.965 2.833
119 H ASN 23 H ASN 23 111.478 -9.992 4.983
120 HA ASN 23 HA ASN 23 111.110 -11.421 7.237
121 1HB ASN 23 1HB ASN 23 111.034 -8.410 7.003
122 2HB ASN 23 2HB ASN 23 111.319 -9.303 8.500
123 1HD2 ASN 23 1HD2 ASN 23 112.589 -8.551 5.326
124 2HD2 ASN 23 2HD2 ASN 23 114.229 -8.973 5.668
125 H LYS 24 H LYS 24 108.621 -9.568 5.635
126 HA LYS 24 HA LYS 24 106.788 -10.255 7.840
127 1HB LYS 24 1HB LYS 24 107.132 -7.793 6.280
128 2HB LYS 24 2HB LYS 24 105.457 -8.319 6.435
129 1HG LYS 24 1HG LYS 24 105.505 -7.175 8.353
130 2HG LYS 24 2HG LYS 24 106.336 -8.597 8.988
131 1HD LYS 24 1HD LYS 24 107.750 -6.240 7.760
132 2HD LYS 24 2HD LYS 24 107.455 -6.409 9.491
133 1HE LYS 24 1HE LYS 24 108.581 -8.785 9.014
134 2HE LYS 24 2HE LYS 24 109.347 -7.854 7.727
135 1HZ LYS 24 1HZ LYS 24 110.802 -7.374 9.353
136 2HZ LYS 24 2HZ LYS 24 109.706 -7.687 10.602
137 3HZ LYS 24 3HZ LYS 24 109.660 -6.204 9.790
138 H GLY 25 H GLY 25 107.557 -11.887 5.491
139 1HA GLY 25 1HA GLY 25 106.002 -13.550 4.646
140 2HA GLY 25 2HA GLY 25 104.834 -12.258 4.417
141 H ARG 26 H ARG 26 104.631 -11.445 2.437
142 HA ARG 26 HA ARG 26 106.897 -11.622 0.586
143 1HB ARG 26 1HB ARG 26 104.199 -12.147 -0.539
144 2HB ARG 26 2HB ARG 26 105.762 -12.781 -1.022
145 1HG ARG 26 1HG ARG 26 104.698 -14.652 -0.202
146 2HG ARG 26 2HG ARG 26 105.645 -14.117 1.187
147 1HD ARG 26 1HD ARG 26 103.651 -14.393 2.237
148 2HD ARG 26 2HD ARG 26 103.410 -12.742 1.667
149 HE ARG 26 HE ARG 26 102.475 -14.333 -0.357
150 1HH1 ARG 26 1HH1 ARG 26 101.766 -13.970 3.041
151 2HH1 ARG 26 2HH1 ARG 26 100.106 -14.433 2.873
152 1HH2 ARG 26 1HH2 ARG 26 100.292 -14.940 -0.581
153 2HH2 ARG 26 2HH2 ARG 26 99.268 -14.985 0.816
154 H THR 27 H THR 27 105.468 -10.596 -1.658
155 HA THR 27 HA THR 27 105.681 -7.876 -1.258
156 HB THR 27 HB THR 27 105.621 -8.381 -3.502
157 HG1 THR 27 HG1 THR 27 104.242 -6.883 -3.930
158 1HG2 THR 27 1HG2 THR 27 104.900 -10.386 -4.099
159 2HG2 THR 27 2HG2 THR 27 103.295 -9.663 -4.215
160 3HG2 THR 27 3HG2 THR 27 103.789 -10.482 -2.733
161 H LYS 28 H LYS 28 102.437 -9.021 -2.089
162 HA LYS 28 HA LYS 28 100.398 -8.346 -1.335
163 1HB LYS 28 1HB LYS 28 101.969 -8.920 1.160
164 2HB LYS 28 2HB LYS 28 100.247 -8.569 1.193
165 1HG LYS 28 1HG LYS 28 100.375 -10.896 1.202
166 2HG LYS 28 2HG LYS 28 99.983 -10.476 -0.466
167 1HD LYS 28 1HD LYS 28 102.753 -10.449 -0.416
168 2HD LYS 28 2HD LYS 28 102.322 -11.807 0.620
169 1HE LYS 28 1HE LYS 28 102.597 -12.516 -1.700
170 2HE LYS 28 2HE LYS 28 100.941 -12.751 -1.146
171 1HZ LYS 28 1HZ LYS 28 101.947 -11.072 -3.248
172 2HZ LYS 28 2HZ LYS 28 100.888 -10.261 -2.209
173 3HZ LYS 28 3HZ LYS 28 100.384 -11.670 -2.996
174 H LEU 29 H LEU 29 102.534 -6.252 -1.683
175 HA LEU 29 HA LEU 29 102.428 -4.261 0.210
176 1HB LEU 29 1HB LEU 29 103.035 -4.508 -2.664
177 2HB LEU 29 2HB LEU 29 102.725 -2.890 -2.078
178 HG LEU 29 HG LEU 29 104.826 -2.756 -1.509
179 1HD1 LEU 29 1HD1 LEU 29 104.338 -5.075 0.347
180 2HD1 LEU 29 2HD1 LEU 29 104.083 -3.372 0.730
181 3HD1 LEU 29 3HD1 LEU 29 105.711 -3.973 0.422
182 1HD2 LEU 29 1HD2 LEU 29 104.785 -5.462 -2.575
183 2HD2 LEU 29 2HD2 LEU 29 106.155 -5.082 -1.528
184 3HD2 LEU 29 3HD2 LEU 29 105.832 -4.094 -2.952
185 HA PRO 30 HA PRO 30 98.649 -2.017 0.002
186 1HB PRO 30 1HB PRO 30 100.268 0.395 -0.606
187 2HB PRO 30 2HB PRO 30 99.145 0.103 0.728
188 1HG PRO 30 1HG PRO 30 101.812 0.138 1.086
189 2HG PRO 30 2HG PRO 30 100.743 -0.919 2.028
190 1HD PRO 30 1HD PRO 30 102.598 -1.599 -0.201
191 2HD PRO 30 2HD PRO 30 102.088 -2.569 1.192
192 HA PRO 31 HA PRO 31 97.725 -1.069 -4.245
193 1HB PRO 31 1HB PRO 31 96.505 1.332 -4.359
194 2HB PRO 31 2HB PRO 31 95.751 -0.073 -3.590
195 1HG PRO 31 1HG PRO 31 97.153 2.250 -2.339
196 2HG PRO 31 2HG PRO 31 95.684 1.410 -1.812
197 1HD PRO 31 1HD PRO 31 98.175 0.987 -0.740
198 2HD PRO 31 2HD PRO 31 96.868 -0.211 -0.714
199 H GLY 32 H GLY 32 99.538 -0.900 -5.478
200 1HA GLY 32 1HA GLY 32 100.773 0.365 -7.049
201 2HA GLY 32 2HA GLY 32 100.475 1.805 -6.089
202 H VAL 33 H VAL 33 101.725 -1.277 -4.908
203 HA VAL 33 HA VAL 33 104.398 -0.118 -4.596
204 HB VAL 33 HB VAL 33 104.008 -1.527 -2.229
205 1HG1 VAL 33 1HG1 VAL 33 104.297 1.344 -2.985
206 2HG1 VAL 33 2HG1 VAL 33 105.470 0.265 -2.230
207 3HG1 VAL 33 3HG1 VAL 33 104.104 0.880 -1.296
208 1HG2 VAL 33 1HG2 VAL 33 101.674 -1.449 -2.227
209 2HG2 VAL 33 2HG2 VAL 33 101.634 0.173 -2.914
210 3HG2 VAL 33 3HG2 VAL 33 102.143 -0.064 -1.245
211 H ASP 34 H ASP 34 105.900 -1.433 -5.251
212 HA ASP 34 HA ASP 34 105.421 -4.328 -5.130
213 1HB ASP 34 1HB ASP 34 105.241 -3.053 -7.461
214 2HB ASP 34 2HB ASP 34 106.997 -3.220 -7.405
215 H ARG 35 H ARG 35 107.244 -5.621 -4.844
216 HA ARG 35 HA ARG 35 109.235 -4.605 -3.182
217 1HB ARG 35 1HB ARG 35 109.694 -7.080 -4.812
218 2HB ARG 35 2HB ARG 35 110.147 -6.754 -3.146
219 1HG ARG 35 1HG ARG 35 107.439 -6.616 -2.991
220 2HG ARG 35 2HG ARG 35 107.658 -7.836 -4.252
221 1HD ARG 35 1HD ARG 35 108.986 -7.895 -1.547
222 2HD ARG 35 2HD ARG 35 107.522 -8.784 -1.962
223 HE ARG 35 HE ARG 35 110.232 -9.407 -2.765
224 1HH1 ARG 35 1HH1 ARG 35 106.832 -9.946 -3.350
225 2HH1 ARG 35 2HH1 ARG 35 107.084 -11.463 -4.146
226 1HH2 ARG 35 1HH2 ARG 35 110.561 -11.400 -3.811
227 2HH2 ARG 35 2HH2 ARG 35 109.199 -12.289 -4.407
228 H MET 36 H MET 36 109.013 -4.523 -6.601
229 HA MET 36 HA MET 36 111.644 -4.611 -7.433
230 1HB MET 36 1HB MET 36 109.141 -3.509 -8.452
231 2HB MET 36 2HB MET 36 110.548 -2.600 -8.986
232 1HG MET 36 1HG MET 36 111.546 -4.786 -9.723
233 2HG MET 36 2HG MET 36 109.969 -5.517 -9.407
234 1HE MET 36 1HE MET 36 110.130 -6.458 -11.477
235 2HE MET 36 2HE MET 36 110.394 -5.671 -13.033
236 3HE MET 36 3HE MET 36 108.756 -5.860 -12.407
237 H ARG 37 H ARG 37 109.863 -1.870 -6.061
238 HA ARG 37 HA ARG 37 112.427 -0.593 -5.465
239 1HB ARG 37 1HB ARG 37 111.045 1.625 -6.069
240 2HB ARG 37 2HB ARG 37 112.062 0.788 -7.228
241 1HG ARG 37 1HG ARG 37 109.252 -0.103 -7.056
242 2HG ARG 37 2HG ARG 37 109.540 1.502 -7.730
243 1HD ARG 37 1HD ARG 37 111.339 -0.568 -8.756
244 2HD ARG 37 2HD ARG 37 109.640 -0.848 -9.126
245 HE ARG 37 HE ARG 37 109.603 1.121 -10.394
246 1HH1 ARG 37 1HH1 ARG 37 112.767 0.532 -9.025
247 2HH1 ARG 37 2HH1 ARG 37 113.562 1.649 -10.080
248 1HH2 ARG 37 1HH2 ARG 37 110.656 2.585 -11.776
249 2HH2 ARG 37 2HH2 ARG 37 112.368 2.812 -11.639
250 H LEU 38 H LEU 38 110.640 -2.013 -3.766
251 HA LEU 38 HA LEU 38 108.818 -0.513 -2.359
252 1HB LEU 38 1HB LEU 38 110.446 -2.896 -1.845
253 2HB LEU 38 2HB LEU 38 109.944 -2.037 -0.392
254 HG LEU 38 HG LEU 38 108.070 -3.008 -2.556
255 1HD1 LEU 38 1HD1 LEU 38 109.304 -4.390 -0.358
256 2HD1 LEU 38 2HD1 LEU 38 108.204 -5.005 -1.590
257 3HD1 LEU 38 3HD1 LEU 38 107.560 -4.291 -0.114
258 1HD2 LEU 38 1HD2 LEU 38 106.886 -2.439 -0.004
259 2HD2 LEU 38 2HD2 LEU 38 106.501 -1.784 -1.596
260 3HD2 LEU 38 3HD2 LEU 38 107.750 -1.027 -0.611
261 H GLU 39 H GLU 39 112.274 -0.213 -2.367
262 HA GLU 39 HA GLU 39 112.355 1.297 0.073
263 1HB GLU 39 1HB GLU 39 114.722 1.619 -0.399
264 2HB GLU 39 2HB GLU 39 114.273 -0.074 -0.528
265 1HG GLU 39 1HG GLU 39 115.694 0.311 -2.323
266 2HG GLU 39 2HG GLU 39 114.077 0.328 -3.024
267 H ARG 40 H ARG 40 110.847 2.110 -2.515
268 HA ARG 40 HA ARG 40 111.899 4.859 -2.600
269 1HB ARG 40 1HB ARG 40 111.488 3.033 -4.697
270 2HB ARG 40 2HB ARG 40 110.193 4.213 -4.831
271 1HG ARG 40 1HG ARG 40 112.786 5.441 -4.354
272 2HG ARG 40 2HG ARG 40 112.742 4.474 -5.829
273 1HD ARG 40 1HD ARG 40 110.502 5.730 -6.258
274 2HD ARG 40 2HD ARG 40 111.138 6.889 -5.092
275 HE ARG 40 HE ARG 40 111.951 6.572 -7.797
276 1HH1 ARG 40 1HH1 ARG 40 113.142 7.387 -4.620
277 2HH1 ARG 40 2HH1 ARG 40 114.451 8.348 -5.220
278 1HH2 ARG 40 1HH2 ARG 40 113.674 7.836 -8.589
279 2HH2 ARG 40 2HH2 ARG 40 114.754 8.603 -7.473
280 H HIS 41 H HIS 41 109.361 2.802 -1.800
281 HA HIS 41 HA HIS 41 107.287 4.831 -1.941
282 1HB HIS 41 1HB HIS 41 107.351 1.884 -1.340
283 2HB HIS 41 2HB HIS 41 105.922 2.854 -1.026
284 HD1 HIS 41 HD1 HIS 41 105.097 4.256 -3.291
285 HD2 HIS 41 HD2 HIS 41 107.385 0.828 -3.817
286 HE1 HIS 41 HE1 HIS 41 104.699 3.540 -5.669
287 HE2 HIS 41 HE2 HIS 41 106.158 1.512 -5.988
288 H LEU 42 H LEU 42 109.699 4.110 0.160
289 HA LEU 42 HA LEU 42 108.223 4.256 2.624
290 1HB LEU 42 1HB LEU 42 111.161 4.262 1.953
291 2HB LEU 42 2HB LEU 42 110.544 4.356 3.598
292 HG LEU 42 HG LEU 42 109.473 2.117 2.029
293 1HD1 LEU 42 1HD1 LEU 42 112.178 1.564 3.026
294 2HD1 LEU 42 2HD1 LEU 42 112.090 2.544 1.556
295 3HD1 LEU 42 3HD1 LEU 42 111.332 0.949 1.603
296 1HD2 LEU 42 1HD2 LEU 42 109.099 2.561 4.434
297 2HD2 LEU 42 2HD2 LEU 42 110.811 2.244 4.710
298 3HD2 LEU 42 3HD2 LEU 42 109.764 0.965 4.091
299 H SER 43 H SER 43 108.090 5.980 3.987
300 HA SER 43 HA SER 43 108.380 8.584 2.821
301 1HB SER 43 1HB SER 43 107.769 9.180 5.356
302 2HB SER 43 2HB SER 43 106.551 8.607 4.211
303 HG SER 43 HG SER 43 106.766 7.534 6.382
304 H ALA 44 H ALA 44 109.483 10.363 4.062
305 HA ALA 44 HA ALA 44 112.201 9.997 4.156
306 1HB ALA 44 1HB ALA 44 110.410 12.019 5.439
307 2HB ALA 44 2HB ALA 44 111.550 12.217 4.108
308 3HB ALA 44 3HB ALA 44 112.144 12.044 5.760
309 H GLU 45 H GLU 45 109.938 9.827 6.882
310 HA GLU 45 HA GLU 45 111.858 9.307 8.875
311 1HB GLU 45 1HB GLU 45 109.711 7.998 9.859
312 2HB GLU 45 2HB GLU 45 109.908 9.740 9.948
313 1HG GLU 45 1HG GLU 45 108.347 10.139 8.305
314 2HG GLU 45 2HG GLU 45 108.533 8.539 7.592
315 H ASP 46 H ASP 46 109.695 7.059 7.183
316 HA ASP 46 HA ASP 46 110.713 4.687 8.170
317 1HB ASP 46 1HB ASP 46 109.170 5.482 5.772
318 2HB ASP 46 2HB ASP 46 109.983 3.918 5.685
319 H PHE 47 H PHE 47 111.611 6.275 5.089
320 HA PHE 47 HA PHE 47 113.595 4.488 4.342
321 1HB PHE 47 1HB PHE 47 112.535 6.501 3.074
322 2HB PHE 47 2HB PHE 47 113.869 7.419 3.779
323 HD1 PHE 47 HD1 PHE 47 113.191 4.310 1.870
324 HD2 PHE 47 HD2 PHE 47 115.883 7.502 2.675
325 HE1 PHE 47 HE1 PHE 47 114.693 3.503 0.079
326 HE2 PHE 47 HE2 PHE 47 117.381 6.708 0.889
327 HZ PHE 47 HZ PHE 47 116.779 4.710 -0.414
328 H SER 48 H SER 48 114.101 7.669 5.872
329 HA SER 48 HA SER 48 116.835 7.308 6.349
330 1HB SER 48 1HB SER 48 115.147 9.409 6.570
331 2HB SER 48 2HB SER 48 115.352 9.001 8.273
332 HG SER 48 HG SER 48 117.692 9.010 7.737
333 H ARG 49 H ARG 49 114.167 5.867 7.901
334 HA ARG 49 HA ARG 49 115.566 5.466 10.419
335 1HB ARG 49 1HB ARG 49 113.171 5.933 10.491
336 2HB ARG 49 2HB ARG 49 112.848 4.523 9.492
337 1HG ARG 49 1HG ARG 49 112.362 4.087 11.837
338 2HG ARG 49 2HG ARG 49 113.675 3.063 11.251
339 1HD ARG 49 1HD ARG 49 115.295 4.667 12.233
340 2HD ARG 49 2HD ARG 49 113.936 5.569 12.911
341 HE ARG 49 HE ARG 49 115.031 3.085 13.873
342 1HH1 ARG 49 1HH1 ARG 49 112.217 5.150 13.816
343 2HH1 ARG 49 2HH1 ARG 49 111.560 4.506 15.282
344 1HH2 ARG 49 1HH2 ARG 49 114.167 2.236 15.802
345 2HH2 ARG 49 2HH2 ARG 49 112.666 2.853 16.410
346 H VAL 50 H VAL 50 114.756 3.694 7.507
347 HA VAL 50 HA VAL 50 115.749 1.200 8.665
348 HB VAL 50 HB VAL 50 114.725 1.597 5.857
349 1HG1 VAL 50 1HG1 VAL 50 116.095 -0.449 6.540
350 2HG1 VAL 50 2HG1 VAL 50 114.542 -0.728 5.751
351 3HG1 VAL 50 3HG1 VAL 50 114.689 -0.912 7.498
352 1HG2 VAL 50 1HG2 VAL 50 113.028 0.428 8.007
353 2HG2 VAL 50 2HG2 VAL 50 112.559 1.212 6.496
354 3HG2 VAL 50 3HG2 VAL 50 113.131 2.182 7.856
355 H PHE 51 H PHE 51 116.530 3.506 6.094
356 HA PHE 51 HA PHE 51 118.983 2.006 5.524
357 1HB PHE 51 1HB PHE 51 117.685 4.286 4.024
358 2HB PHE 51 2HB PHE 51 119.161 3.461 3.531
359 HD1 PHE 51 HD1 PHE 51 118.768 0.731 3.600
360 HD2 PHE 51 HD2 PHE 51 115.855 3.721 2.813
361 HE1 PHE 51 HE1 PHE 51 117.442 -0.900 2.314
362 HE2 PHE 51 HE2 PHE 51 114.519 2.090 1.526
363 HZ PHE 51 HZ PHE 51 115.323 -0.217 1.279
364 H ALA 52 H ALA 52 117.860 5.123 6.703
365 HA ALA 52 HA ALA 52 118.956 6.710 7.954
366 1HB ALA 52 1HB ALA 52 121.543 5.241 7.631
367 2HB ALA 52 2HB ALA 52 120.305 4.669 8.751
368 3HB ALA 52 3HB ALA 52 121.011 6.273 8.959
369 H MET 53 H MET 53 119.030 6.308 4.894
370 HA MET 53 HA MET 53 120.881 8.525 4.349
371 1HB MET 53 1HB MET 53 120.901 7.148 2.002
372 2HB MET 53 2HB MET 53 122.156 7.063 3.233
373 1HG MET 53 1HG MET 53 121.533 4.995 3.936
374 2HG MET 53 2HG MET 53 119.837 5.240 3.509
375 1HE MET 53 1HE MET 53 119.148 5.676 1.071
376 2HE MET 53 2HE MET 53 119.837 4.819 -0.308
377 3HE MET 53 3HE MET 53 120.576 6.313 0.254
378 H SER 54 H SER 54 120.379 9.687 2.378
379 HA SER 54 HA SER 54 117.635 10.399 2.325
380 1HB SER 54 1HB SER 54 120.024 11.196 0.665
381 2HB SER 54 2HB SER 54 118.413 11.879 0.400
382 HG SER 54 HG SER 54 118.525 12.400 2.744
383 HA PRO 55 HA PRO 55 115.895 7.639 -0.689
384 1HB PRO 55 1HB PRO 55 114.613 10.135 -1.710
385 2HB PRO 55 2HB PRO 55 113.876 8.579 -1.312
386 1HG PRO 55 1HG PRO 55 113.625 10.667 0.328
387 2HG PRO 55 2HG PRO 55 113.841 9.023 0.962
388 1HD PRO 55 1HD PRO 55 115.785 11.276 0.831
389 2HD PRO 55 2HD PRO 55 115.637 9.977 2.034
390 H GLU 56 H GLU 56 117.374 10.696 -1.501
391 HA GLU 56 HA GLU 56 117.755 10.051 -4.282
392 1HB GLU 56 1HB GLU 56 118.865 12.153 -4.454
393 2HB GLU 56 2HB GLU 56 117.508 12.396 -3.359
394 1HG GLU 56 1HG GLU 56 118.967 12.331 -1.450
395 2HG GLU 56 2HG GLU 56 120.345 11.922 -2.473
396 H GLU 57 H GLU 57 119.553 9.894 -1.282
397 HA GLU 57 HA GLU 57 122.121 9.458 -2.228
398 1HB GLU 57 1HB GLU 57 120.689 8.880 0.301
399 2HB GLU 57 2HB GLU 57 122.034 7.800 -0.041
400 1HG GLU 57 1HG GLU 57 123.348 9.981 -0.502
401 2HG GLU 57 2HG GLU 57 122.049 10.744 0.414
402 H PHE 58 H PHE 58 119.622 7.007 -1.502
403 HA PHE 58 HA PHE 58 120.887 4.673 -2.168
404 1HB PHE 58 1HB PHE 58 118.315 5.366 -1.629
405 2HB PHE 58 2HB PHE 58 118.176 4.988 -3.343
406 HD1 PHE 58 HD1 PHE 58 118.925 2.695 -4.124
407 HD2 PHE 58 HD2 PHE 58 118.363 3.675 -0.021
408 HE1 PHE 58 HE1 PHE 58 118.730 0.304 -3.579
409 HE2 PHE 58 HE2 PHE 58 118.177 1.291 0.531
410 HZ PHE 58 HZ PHE 58 118.359 -0.404 -1.247
411 H GLY 59 H GLY 59 118.922 6.488 -4.542
412 1HA GLY 59 1HA GLY 59 119.675 5.088 -6.802
413 2HA GLY 59 2HA GLY 59 119.178 6.774 -6.807
414 H LYS 60 H LYS 60 121.527 7.414 -5.017
415 HA LYS 60 HA LYS 60 123.470 7.652 -7.189
416 1HB LYS 60 1HB LYS 60 123.381 9.063 -4.517
417 2HB LYS 60 2HB LYS 60 124.504 9.404 -5.830
418 1HG LYS 60 1HG LYS 60 121.513 9.701 -6.024
419 2HG LYS 60 2HG LYS 60 122.637 11.017 -5.667
420 1HD LYS 60 1HD LYS 60 123.309 9.439 -8.051
421 2HD LYS 60 2HD LYS 60 121.790 10.329 -8.161
422 1HE LYS 60 1HE LYS 60 123.373 11.836 -8.970
423 2HE LYS 60 2HE LYS 60 123.137 12.336 -7.297
424 1HZ LYS 60 1HZ LYS 60 125.517 12.095 -8.226
425 2HZ LYS 60 2HZ LYS 60 125.285 10.440 -7.971
426 3HZ LYS 60 3HZ LYS 60 125.180 11.516 -6.671
427 H LEU 61 H LEU 61 122.920 5.516 -4.754
428 HA LEU 61 HA LEU 61 125.574 5.268 -3.730
429 1HB LEU 61 1HB LEU 61 123.119 3.517 -3.510
430 2HB LEU 61 2HB LEU 61 124.601 3.253 -2.619
431 HG LEU 61 HG LEU 61 122.617 5.453 -2.287
432 1HD1 LEU 61 1HD1 LEU 61 123.303 4.584 0.161
433 2HD1 LEU 61 2HD1 LEU 61 123.545 3.118 -0.786
434 3HD1 LEU 61 3HD1 LEU 61 121.977 3.920 -0.792
435 1HD2 LEU 61 1HD2 LEU 61 125.451 5.385 -1.270
436 2HD2 LEU 61 2HD2 LEU 61 124.199 6.478 -0.679
437 3HD2 LEU 61 3HD2 LEU 61 124.742 6.583 -2.353
438 H ALA 62 H ALA 62 125.305 2.271 -3.865
439 HA ALA 62 HA ALA 62 126.110 1.866 -6.658
440 1HB ALA 62 1HB ALA 62 127.441 0.490 -4.344
441 2HB ALA 62 2HB ALA 62 128.035 2.001 -5.032
442 3HB ALA 62 3HB ALA 62 127.963 0.546 -6.027
443 H LEU 63 H LEU 63 126.156 -0.488 -7.268
444 HA LEU 63 HA LEU 63 123.616 -1.636 -6.815
445 1HB LEU 63 1HB LEU 63 125.151 -1.868 -8.835
446 2HB LEU 63 2HB LEU 63 126.005 -3.090 -7.912
447 HG LEU 63 HG LEU 63 123.177 -3.642 -7.900
448 1HD1 LEU 63 1HD1 LEU 63 122.917 -2.563 -9.965
449 2HD1 LEU 63 2HD1 LEU 63 123.110 -4.271 -10.358
450 3HD1 LEU 63 3HD1 LEU 63 124.463 -3.160 -10.569
451 1HD2 LEU 63 1HD2 LEU 63 123.896 -5.776 -8.167
452 2HD2 LEU 63 2HD2 LEU 63 125.420 -5.057 -7.648
453 3HD2 LEU 63 3HD2 LEU 63 125.115 -5.334 -9.363
454 H TRP 64 H TRP 64 126.696 -2.087 -5.254
455 HA TRP 64 HA TRP 64 125.891 -4.528 -3.943
456 1HB TRP 64 1HB TRP 64 128.137 -4.207 -2.828
457 2HB TRP 64 2HB TRP 64 128.194 -4.354 -4.589
458 HD1 TRP 64 HD1 TRP 64 129.124 -2.290 -5.920
459 HE1 TRP 64 HE1 TRP 64 130.096 -0.019 -5.213
460 HE3 TRP 64 HE3 TRP 64 127.763 -2.406 -1.124
461 HZ2 TRP 64 HZ2 TRP 64 130.259 1.519 -2.798
462 HZ3 TRP 64 HZ3 TRP 64 128.364 -0.503 0.363
463 HH2 TRP 64 HH2 TRP 64 129.569 1.413 -0.472
464 H LYS 65 H LYS 65 126.203 -1.121 -3.385
465 HA LYS 65 HA LYS 65 125.726 -1.219 -0.563
466 1HB LYS 65 1HB LYS 65 126.809 0.715 -1.744
467 2HB LYS 65 2HB LYS 65 125.244 1.092 -2.453
468 1HG LYS 65 1HG LYS 65 125.635 2.529 -0.571
469 2HG LYS 65 2HG LYS 65 124.324 1.409 -0.190
470 1HD LYS 65 1HD LYS 65 125.452 0.993 1.696
471 2HD LYS 65 2HD LYS 65 126.545 0.050 0.679
472 1HE LYS 65 1HE LYS 65 127.900 2.109 0.335
473 2HE LYS 65 2HE LYS 65 126.856 2.936 1.498
474 1HZ LYS 65 1HZ LYS 65 129.037 1.935 2.332
475 2HZ LYS 65 2HZ LYS 65 128.258 0.437 2.216
476 3HZ LYS 65 3HZ LYS 65 127.639 1.636 3.237
477 H ARG 66 H ARG 66 123.702 -0.150 -3.303
478 HA ARG 66 HA ARG 66 121.281 0.169 -2.058
479 1HB ARG 66 1HB ARG 66 121.863 -1.024 -4.770
480 2HB ARG 66 2HB ARG 66 120.256 -0.553 -4.237
481 1HG ARG 66 1HG ARG 66 121.153 1.752 -3.878
482 2HG ARG 66 2HG ARG 66 122.638 1.214 -4.664
483 1HD ARG 66 1HD ARG 66 120.184 0.594 -6.145
484 2HD ARG 66 2HD ARG 66 120.503 2.323 -5.943
485 HE ARG 66 HE ARG 66 122.880 1.359 -6.786
486 1HH1 ARG 66 1HH1 ARG 66 119.626 1.046 -8.006
487 2HH1 ARG 66 2HH1 ARG 66 120.125 0.897 -9.658
488 1HH2 ARG 66 1HH2 ARG 66 123.539 1.163 -8.958
489 2HH2 ARG 66 2HH2 ARG 66 122.347 0.962 -10.198
490 H ASN 67 H ASN 67 122.724 -2.791 -3.276
491 HA ASN 67 HA ASN 67 120.620 -4.551 -2.666
492 1HB ASN 67 1HB ASN 67 123.494 -4.791 -3.287
493 2HB ASN 67 2HB ASN 67 122.839 -6.117 -2.324
494 1HD2 ASN 67 1HD2 ASN 67 122.221 -4.220 -5.247
495 2HD2 ASN 67 2HD2 ASN 67 121.531 -5.518 -6.154
496 H GLU 68 H GLU 68 123.645 -4.143 -0.828
497 HA GLU 68 HA GLU 68 123.036 -5.519 1.435
498 1HB GLU 68 1HB GLU 68 124.810 -3.251 0.803
499 2HB GLU 68 2HB GLU 68 124.424 -3.443 2.507
500 1HG GLU 68 1HG GLU 68 125.668 -5.504 0.702
501 2HG GLU 68 2HG GLU 68 126.467 -4.602 1.989
502 H LEU 69 H LEU 69 122.126 -2.161 0.704
503 HA LEU 69 HA LEU 69 120.972 -1.564 3.195
504 1HB LEU 69 1HB LEU 69 120.010 -0.513 0.546
505 2HB LEU 69 2HB LEU 69 119.860 0.246 2.117
506 HG LEU 69 HG LEU 69 122.561 -0.309 1.079
507 1HD1 LEU 69 1HD1 LEU 69 121.679 2.328 0.369
508 2HD1 LEU 69 2HD1 LEU 69 120.708 1.099 -0.432
509 3HD1 LEU 69 3HD1 LEU 69 122.459 1.103 -0.627
510 1HD2 LEU 69 1HD2 LEU 69 123.012 1.828 2.281
511 2HD2 LEU 69 2HD2 LEU 69 122.411 0.528 3.311
512 3HD2 LEU 69 3HD2 LEU 69 121.326 1.821 2.801
513 H LYS 70 H LYS 70 119.321 -2.352 0.170
514 HA LYS 70 HA LYS 70 116.779 -2.864 1.244
515 1HB LYS 70 1HB LYS 70 118.231 -3.640 -1.242
516 2HB LYS 70 2HB LYS 70 116.749 -4.500 -0.854
517 1HG LYS 70 1HG LYS 70 115.433 -2.620 -1.105
518 2HG LYS 70 2HG LYS 70 116.786 -1.516 -0.838
519 1HD LYS 70 1HD LYS 70 116.340 -1.370 -3.138
520 2HD LYS 70 2HD LYS 70 117.740 -2.438 -3.020
521 1HE LYS 70 1HE LYS 70 116.502 -4.331 -3.527
522 2HE LYS 70 2HE LYS 70 114.978 -3.582 -3.052
523 1HZ LYS 70 1HZ LYS 70 115.548 -2.012 -5.047
524 2HZ LYS 70 2HZ LYS 70 114.802 -3.508 -5.309
525 3HZ LYS 70 3HZ LYS 70 116.466 -3.337 -5.564
526 H LYS 71 H LYS 71 119.696 -4.680 1.291
527 HA LYS 71 HA LYS 71 118.466 -7.207 1.919
528 1HB LYS 71 1HB LYS 71 121.296 -6.203 1.665
529 2HB LYS 71 2HB LYS 71 120.952 -7.808 2.319
530 1HG LYS 71 1HG LYS 71 119.985 -8.526 0.290
531 2HG LYS 71 2HG LYS 71 119.907 -6.876 -0.335
532 1HD LYS 71 1HD LYS 71 121.743 -7.810 -1.440
533 2HD LYS 71 2HD LYS 71 122.469 -6.892 -0.119
534 1HE LYS 71 1HE LYS 71 123.556 -9.021 -0.236
535 2HE LYS 71 2HE LYS 71 122.548 -8.994 1.211
536 1HZ LYS 71 1HZ LYS 71 122.396 -11.082 -0.079
537 2HZ LYS 71 2HZ LYS 71 121.725 -10.215 -1.367
538 3HZ LYS 71 3HZ LYS 71 120.904 -10.306 0.109
539 H LYS 72 H LYS 72 119.840 -4.518 3.645
540 HA LYS 72 HA LYS 72 119.768 -5.968 6.171
541 1HB LYS 72 1HB LYS 72 121.769 -4.675 5.849
542 2HB LYS 72 2HB LYS 72 120.839 -3.249 5.414
543 1HG LYS 72 1HG LYS 72 120.010 -4.074 8.000
544 2HG LYS 72 2HG LYS 72 121.776 -4.049 7.967
545 1HD LYS 72 1HD LYS 72 121.176 -1.877 8.607
546 2HD LYS 72 2HD LYS 72 121.541 -1.740 6.886
547 1HE LYS 72 1HE LYS 72 118.738 -2.365 7.546
548 2HE LYS 72 2HE LYS 72 119.297 -0.772 8.050
549 1HZ LYS 72 1HZ LYS 72 118.436 -1.478 5.551
550 2HZ LYS 72 2HZ LYS 72 120.117 -1.391 5.388
551 3HZ LYS 72 3HZ LYS 72 119.254 -0.055 5.963
552 H ALA 73 H ALA 73 118.096 -3.646 4.298
553 HA ALA 73 HA ALA 73 116.540 -2.497 6.409
554 1HB ALA 73 1HB ALA 73 116.722 -2.260 3.467
555 2HB ALA 73 2HB ALA 73 116.690 -1.004 4.704
556 3HB ALA 73 3HB ALA 73 115.195 -1.802 4.218
557 H GLU 74 H GLU 74 116.490 -5.535 5.205
558 HA GLU 74 HA GLU 74 114.977 -7.230 5.400
559 1HB GLU 74 1HB GLU 74 112.934 -5.219 6.336
560 2HB GLU 74 2HB GLU 74 112.967 -6.943 6.652
561 1HG GLU 74 1HG GLU 74 115.171 -5.184 7.635
562 2HG GLU 74 2HG GLU 74 113.650 -5.306 8.518
563 H LEU 75 H LEU 75 115.029 -4.970 3.194
564 HA LEU 75 HA LEU 75 112.810 -6.135 1.713
565 1HB LEU 75 1HB LEU 75 112.863 -3.548 0.758
566 2HB LEU 75 2HB LEU 75 111.631 -4.259 1.792
567 HG LEU 75 HG LEU 75 113.578 -3.423 3.554
568 1HD1 LEU 75 1HD1 LEU 75 113.384 -1.513 1.251
569 2HD1 LEU 75 2HD1 LEU 75 114.832 -2.135 2.045
570 3HD1 LEU 75 3HD1 LEU 75 113.794 -0.978 2.884
571 1HD2 LEU 75 1HD2 LEU 75 111.852 -1.413 3.710
572 2HD2 LEU 75 2HD2 LEU 75 111.452 -3.042 4.252
573 3HD2 LEU 75 3HD2 LEU 75 110.916 -2.485 2.666
574 H PHE 76 H PHE 76 114.722 -7.364 0.925
575 HA PHE 76 HA PHE 76 115.833 -5.971 -1.423
576 1HB PHE 76 1HB PHE 76 117.832 -6.259 -0.381
577 2HB PHE 76 2HB PHE 76 117.223 -7.550 0.657
578 HD1 PHE 76 HD1 PHE 76 117.487 -9.839 0.048
579 HD2 PHE 76 HD2 PHE 76 118.625 -6.751 -2.649
580 HE1 PHE 76 HE1 PHE 76 118.666 -11.492 -1.340
581 HE2 PHE 76 HE2 PHE 76 119.806 -8.398 -4.044
582 HZ PHE 76 HZ PHE 76 119.828 -10.772 -3.390
Start of MODEL 3
1 HT1 PRO 9 HT1 PRO 9 105.089 10.036 -11.772
2 HT2 PRO 9 HT2 PRO 9 104.015 9.719 -10.566
3 HA PRO 9 HA PRO 9 106.000 11.389 -10.539
4 1HB PRO 9 1HB PRO 9 103.882 13.339 -10.193
5 2HB PRO 9 2HB PRO 9 105.348 13.444 -11.178
6 1HG PRO 9 1HG PRO 9 102.852 13.211 -12.242
7 2HG PRO 9 2HG PRO 9 104.316 12.609 -13.041
8 1HD PRO 9 1HD PRO 9 102.272 11.098 -11.440
9 2HD PRO 9 2HD PRO 9 103.052 10.652 -12.970
10 H GLY 10 H GLY 10 106.452 10.795 -8.513
11 1HA GLY 10 1HA GLY 10 106.278 10.566 -6.234
12 2HA GLY 10 2HA GLY 10 104.940 11.704 -6.309
13 H LEU 11 H LEU 11 105.547 9.073 -4.905
14 HA LEU 11 HA LEU 11 103.035 7.722 -5.622
15 1HB LEU 11 1HB LEU 11 104.369 5.811 -4.267
16 2HB LEU 11 2HB LEU 11 104.368 5.961 -6.012
17 HG LEU 11 HG LEU 11 106.609 5.541 -5.055
18 1HD1 LEU 11 1HD1 LEU 11 107.587 6.714 -6.687
19 2HD1 LEU 11 2HD1 LEU 11 106.950 8.253 -6.107
20 3HD1 LEU 11 3HD1 LEU 11 105.940 7.196 -7.093
21 1HD2 LEU 11 1HD2 LEU 11 107.492 7.927 -4.084
22 2HD2 LEU 11 2HD2 LEU 11 107.018 6.544 -3.098
23 3HD2 LEU 11 3HD2 LEU 11 105.866 7.842 -3.407
24 H GLN 12 H GLN 12 102.035 6.523 -3.799
25 HA GLN 12 HA GLN 12 101.773 8.276 -1.539
26 1HB GLN 12 1HB GLN 12 100.340 6.054 -0.825
27 2HB GLN 12 2HB GLN 12 99.702 7.415 -1.732
28 1HG GLN 12 1HG GLN 12 100.983 5.181 -3.220
29 2HG GLN 12 2HG GLN 12 99.375 4.945 -2.542
30 1HE2 GLN 12 1HE2 GLN 12 98.099 7.226 -2.905
31 2HE2 GLN 12 2HE2 GLN 12 98.015 7.657 -4.575
32 H ILE 13 H ILE 13 102.475 8.016 0.511
33 HA ILE 13 HA ILE 13 104.503 5.958 0.943
34 HB ILE 13 HB ILE 13 103.884 8.233 2.806
35 1HG1 ILE 13 1HG1 ILE 13 104.312 9.018 0.428
36 2HG1 ILE 13 2HG1 ILE 13 105.415 9.641 1.654
37 1HG2 ILE 13 1HG2 ILE 13 106.329 6.547 2.311
38 2HG2 ILE 13 2HG2 ILE 13 105.296 6.536 3.741
39 3HG2 ILE 13 3HG2 ILE 13 106.285 7.952 3.376
40 1HD1 ILE 13 1HD1 ILE 13 107.060 7.931 0.987
41 2HD1 ILE 13 2HD1 ILE 13 106.648 9.047 -0.315
42 3HD1 ILE 13 3HD1 ILE 13 105.966 7.421 -0.299
43 H TYR 14 H TYR 14 104.420 4.466 2.602
44 HA TYR 14 HA TYR 14 102.105 4.490 4.395
45 1HB TYR 14 1HB TYR 14 102.772 1.823 3.335
46 2HB TYR 14 2HB TYR 14 101.202 2.554 3.651
47 HD1 TYR 14 HD1 TYR 14 103.969 2.391 1.211
48 HD2 TYR 14 HD2 TYR 14 99.902 3.448 1.877
49 HE1 TYR 14 HE1 TYR 14 103.656 2.671 -1.207
50 HE2 TYR 14 HE2 TYR 14 99.577 3.734 -0.547
51 HH TYR 14 HH TYR 14 102.227 3.696 -2.776
52 HA PRO 15 HA PRO 15 104.603 2.744 7.625
53 1HB PRO 15 1HB PRO 15 103.421 0.029 7.270
54 2HB PRO 15 2HB PRO 15 103.564 1.012 8.735
55 1HG PRO 15 1HG PRO 15 101.220 0.750 7.493
56 2HG PRO 15 2HG PRO 15 101.705 2.296 8.214
57 1HD PRO 15 1HD PRO 15 101.651 1.473 5.346
58 2HD PRO 15 2HD PRO 15 101.310 3.057 6.076
59 H TYR 16 H TYR 16 106.312 1.034 8.092
60 HA TYR 16 HA TYR 16 107.767 0.532 5.654
61 1HB TYR 16 1HB TYR 16 109.160 1.354 7.306
62 2HB TYR 16 2HB TYR 16 108.364 0.437 8.581
63 HD1 TYR 16 HD1 TYR 16 110.126 -0.414 5.396
64 HD2 TYR 16 HD2 TYR 16 109.714 -1.082 9.563
65 HE1 TYR 16 HE1 TYR 16 111.920 -2.097 5.276
66 HE2 TYR 16 HE2 TYR 16 111.507 -2.773 9.480
67 HH TYR 16 HH TYR 16 112.758 -3.975 6.511
68 H GLU 17 H GLU 17 106.918 -1.505 8.466
69 HA GLU 17 HA GLU 17 107.606 -3.968 7.479
70 1HB GLU 17 1HB GLU 17 105.195 -3.312 9.181
71 2HB GLU 17 2HB GLU 17 105.894 -4.913 8.987
72 1HG GLU 17 1HG GLU 17 107.943 -4.190 10.040
73 2HG GLU 17 2HG GLU 17 107.329 -2.537 10.151
74 H MET 18 H MET 18 104.712 -2.109 6.747
75 HA MET 18 HA MET 18 103.316 -4.192 5.422
76 1HB MET 18 1HB MET 18 102.990 -1.312 5.839
77 2HB MET 18 2HB MET 18 102.365 -1.871 4.293
78 1HG MET 18 1HG MET 18 101.440 -3.744 6.109
79 2HG MET 18 2HG MET 18 101.295 -2.203 6.959
80 1HE MET 18 1HE MET 18 100.562 -0.146 5.788
81 2HE MET 18 2HE MET 18 98.956 -0.103 5.060
82 3HE MET 18 3HE MET 18 100.385 -0.216 4.034
83 H LEU 19 H LEU 19 105.955 -2.206 4.475
84 HA LEU 19 HA LEU 19 105.511 -2.847 1.639
85 1HB LEU 19 1HB LEU 19 107.606 -0.967 2.669
86 2HB LEU 19 2HB LEU 19 106.888 -1.041 1.068
87 HG LEU 19 HG LEU 19 105.298 -0.267 3.495
88 1HD1 LEU 19 1HD1 LEU 19 106.614 1.640 1.576
89 2HD1 LEU 19 2HD1 LEU 19 107.292 1.226 3.150
90 3HD1 LEU 19 3HD1 LEU 19 105.724 2.026 3.048
91 1HD2 LEU 19 1HD2 LEU 19 104.778 0.642 0.718
92 2HD2 LEU 19 2HD2 LEU 19 103.649 0.337 2.037
93 3HD2 LEU 19 3HD2 LEU 19 104.366 -1.014 1.158
94 H VAL 20 H VAL 20 106.914 -4.345 4.100
95 HA VAL 20 HA VAL 20 109.578 -4.763 3.249
96 HB VAL 20 HB VAL 20 107.960 -6.823 4.736
97 1HG1 VAL 20 1HG1 VAL 20 110.861 -6.090 4.582
98 2HG1 VAL 20 2HG1 VAL 20 110.101 -7.648 4.246
99 3HG1 VAL 20 3HG1 VAL 20 110.210 -7.055 5.904
100 1HG2 VAL 20 1HG2 VAL 20 108.082 -4.218 5.544
101 2HG2 VAL 20 2HG2 VAL 20 109.448 -4.946 6.385
102 3HG2 VAL 20 3HG2 VAL 20 107.828 -5.615 6.589
103 H VAL 21 H VAL 21 110.386 -6.944 2.417
104 HA VAL 21 HA VAL 21 108.664 -7.677 0.163
105 HB VAL 21 HB VAL 21 111.615 -8.124 0.590
106 1HG1 VAL 21 1HG1 VAL 21 109.751 -8.973 -1.585
107 2HG1 VAL 21 2HG1 VAL 21 111.066 -9.867 -0.823
108 3HG1 VAL 21 3HG1 VAL 21 111.426 -8.577 -1.971
109 1HG2 VAL 21 1HG2 VAL 21 111.989 -6.355 -0.915
110 2HG2 VAL 21 2HG2 VAL 21 110.758 -5.766 0.202
111 3HG2 VAL 21 3HG2 VAL 21 110.298 -6.317 -1.412
112 H THR 22 H THR 22 111.062 -9.498 2.112
113 HA THR 22 HA THR 22 109.324 -11.846 1.822
114 HB THR 22 HB THR 22 112.258 -11.669 2.513
115 HG1 THR 22 HG1 THR 22 112.150 -11.319 0.396
116 1HG2 THR 22 1HG2 THR 22 112.210 -13.782 3.141
117 2HG2 THR 22 2HG2 THR 22 111.525 -14.234 1.581
118 3HG2 THR 22 3HG2 THR 22 110.460 -13.818 2.923
119 H ASN 23 H ASN 23 111.637 -10.687 4.228
120 HA ASN 23 HA ASN 23 111.084 -12.073 6.416
121 1HB ASN 23 1HB ASN 23 111.341 -9.065 6.471
122 2HB ASN 23 2HB ASN 23 111.746 -10.183 7.774
123 1HD2 ASN 23 1HD2 ASN 23 112.634 -9.060 4.575
124 2HD2 ASN 23 2HD2 ASN 23 114.265 -9.631 4.622
125 H LYS 24 H LYS 24 108.984 -9.441 5.282
126 HA LYS 24 HA LYS 24 107.044 -10.256 7.346
127 1HB LYS 24 1HB LYS 24 107.958 -7.622 6.458
128 2HB LYS 24 2HB LYS 24 106.205 -7.766 6.548
129 1HG LYS 24 1HG LYS 24 107.041 -6.917 8.627
130 2HG LYS 24 2HG LYS 24 106.437 -8.555 8.880
131 1HD LYS 24 1HD LYS 24 108.535 -8.272 10.048
132 2HD LYS 24 2HD LYS 24 108.750 -9.401 8.708
133 1HE LYS 24 1HE LYS 24 110.174 -8.037 7.628
134 2HE LYS 24 2HE LYS 24 109.252 -6.590 8.032
135 1HZ LYS 24 1HZ LYS 24 111.424 -7.885 9.506
136 2HZ LYS 24 2HZ LYS 24 110.219 -7.106 10.402
137 3HZ LYS 24 3HZ LYS 24 111.117 -6.239 9.260
138 H GLY 25 H GLY 25 107.382 -11.362 4.615
139 1HA GLY 25 1HA GLY 25 104.971 -12.089 3.844
140 2HA GLY 25 2HA GLY 25 104.955 -10.429 3.270
141 H ARG 26 H ARG 26 104.926 -10.752 1.110
142 HA ARG 26 HA ARG 26 107.362 -11.729 -0.098
143 1HB ARG 26 1HB ARG 26 106.576 -13.642 -0.927
144 2HB ARG 26 2HB ARG 26 105.210 -13.457 0.151
145 1HG ARG 26 1HG ARG 26 105.147 -12.225 -2.576
146 2HG ARG 26 2HG ARG 26 104.809 -13.939 -2.354
147 1HD ARG 26 1HD ARG 26 103.317 -12.657 -0.384
148 2HD ARG 26 2HD ARG 26 103.130 -11.649 -1.816
149 HE ARG 26 HE ARG 26 102.755 -14.460 -2.306
150 1HH1 ARG 26 1HH1 ARG 26 101.213 -11.487 -1.328
151 2HH1 ARG 26 2HH1 ARG 26 99.633 -11.999 -1.813
152 1HH2 ARG 26 1HH2 ARG 26 100.676 -15.139 -2.945
153 2HH2 ARG 26 2HH2 ARG 26 99.326 -14.074 -2.731
154 H THR 27 H THR 27 104.097 -10.470 -0.667
155 HA THR 27 HA THR 27 105.093 -8.292 -2.193
156 HB THR 27 HB THR 27 104.111 -10.736 -3.479
157 HG1 THR 27 HG1 THR 27 105.922 -10.322 -4.416
158 1HG2 THR 27 1HG2 THR 27 102.201 -9.389 -3.987
159 2HG2 THR 27 2HG2 THR 27 103.187 -9.606 -5.436
160 3HG2 THR 27 3HG2 THR 27 103.234 -8.074 -4.556
161 H LYS 28 H LYS 28 103.299 -9.101 0.071
162 HA LYS 28 HA LYS 28 100.631 -8.391 -0.577
163 1HB LYS 28 1HB LYS 28 102.064 -8.411 2.065
164 2HB LYS 28 2HB LYS 28 100.321 -8.278 1.865
165 1HG LYS 28 1HG LYS 28 100.693 -10.522 2.392
166 2HG LYS 28 2HG LYS 28 100.448 -10.503 0.643
167 1HD LYS 28 1HD LYS 28 102.650 -10.951 0.193
168 2HD LYS 28 2HD LYS 28 103.216 -10.236 1.703
169 1HE LYS 28 1HE LYS 28 103.413 -12.733 1.583
170 2HE LYS 28 2HE LYS 28 102.499 -12.127 2.963
171 1HZ LYS 28 1HZ LYS 28 101.603 -14.082 1.493
172 2HZ LYS 28 2HZ LYS 28 101.030 -12.819 0.525
173 3HZ LYS 28 3HZ LYS 28 100.548 -12.929 2.143
174 H LEU 29 H LEU 29 102.753 -6.432 -1.325
175 HA LEU 29 HA LEU 29 102.795 -4.186 0.237
176 1HB LEU 29 1HB LEU 29 103.328 -4.925 -2.530
177 2HB LEU 29 2HB LEU 29 102.876 -3.245 -2.337
178 HG LEU 29 HG LEU 29 104.736 -2.752 -1.097
179 1HD1 LEU 29 1HD1 LEU 29 106.254 -4.593 -0.174
180 2HD1 LEU 29 2HD1 LEU 29 104.895 -5.679 -0.463
181 3HD1 LEU 29 3HD1 LEU 29 104.718 -4.322 0.650
182 1HD2 LEU 29 1HD2 LEU 29 106.535 -4.440 -2.305
183 2HD2 LEU 29 2HD2 LEU 29 105.931 -2.911 -2.938
184 3HD2 LEU 29 3HD2 LEU 29 105.154 -4.427 -3.401
185 HA PRO 30 HA PRO 30 98.815 -2.292 0.007
186 1HB PRO 30 1HB PRO 30 100.222 0.290 -0.209
187 2HB PRO 30 2HB PRO 30 99.128 -0.289 1.053
188 1HG PRO 30 1HG PRO 30 101.790 -0.028 1.439
189 2HG PRO 30 2HG PRO 30 100.819 -1.271 2.253
190 1HD PRO 30 1HD PRO 30 102.703 -1.539 -0.046
191 2HD PRO 30 2HD PRO 30 102.333 -2.679 1.261
192 HA PRO 31 HA PRO 31 97.938 -0.927 -4.114
193 1HB PRO 31 1HB PRO 31 96.885 1.708 -3.395
194 2HB PRO 31 2HB PRO 31 96.025 0.289 -4.004
195 1HG PRO 31 1HG PRO 31 95.745 1.172 -1.465
196 2HG PRO 31 2HG PRO 31 95.635 -0.544 -1.896
197 1HD PRO 31 1HD PRO 31 97.925 0.965 -0.688
198 2HD PRO 31 2HD PRO 31 97.308 -0.655 -0.291
199 H GLY 32 H GLY 32 99.771 -0.559 -5.276
200 1HA GLY 32 1HA GLY 32 100.903 1.031 -6.662
201 2HA GLY 32 2HA GLY 32 100.705 2.227 -5.392
202 H VAL 33 H VAL 33 101.679 -0.711 -4.070
203 HA VAL 33 HA VAL 33 104.471 0.210 -3.983
204 HB VAL 33 HB VAL 33 103.549 -1.734 -1.987
205 1HG1 VAL 33 1HG1 VAL 33 105.012 0.739 -1.327
206 2HG1 VAL 33 2HG1 VAL 33 105.832 -0.415 -2.377
207 3HG1 VAL 33 3HG1 VAL 33 105.280 -0.915 -0.778
208 1HG2 VAL 33 1HG2 VAL 33 102.846 0.367 -0.609
209 2HG2 VAL 33 2HG2 VAL 33 101.686 -0.437 -1.664
210 3HG2 VAL 33 3HG2 VAL 33 102.492 1.037 -2.200
211 H ASP 34 H ASP 34 105.968 -0.946 -4.877
212 HA ASP 34 HA ASP 34 105.652 -3.835 -5.161
213 1HB ASP 34 1HB ASP 34 104.838 -2.645 -7.262
214 2HB ASP 34 2HB ASP 34 106.509 -2.133 -7.502
215 H ARG 35 H ARG 35 107.608 -4.968 -5.325
216 HA ARG 35 HA ARG 35 109.756 -4.043 -3.883
217 1HB ARG 35 1HB ARG 35 109.612 -6.167 -6.015
218 2HB ARG 35 2HB ARG 35 111.070 -5.870 -5.078
219 1HG ARG 35 1HG ARG 35 110.235 -7.420 -3.700
220 2HG ARG 35 2HG ARG 35 109.219 -6.102 -3.106
221 1HD ARG 35 1HD ARG 35 107.954 -8.171 -3.637
222 2HD ARG 35 2HD ARG 35 107.422 -6.761 -4.550
223 HE ARG 35 HE ARG 35 109.355 -8.517 -5.837
224 1HH1 ARG 35 1HH1 ARG 35 106.017 -7.524 -5.520
225 2HH1 ARG 35 2HH1 ARG 35 105.544 -8.208 -7.038
226 1HH2 ARG 35 1HH2 ARG 35 108.726 -9.417 -7.826
227 2HH2 ARG 35 2HH2 ARG 35 107.080 -9.283 -8.345
228 H MET 36 H MET 36 109.017 -3.450 -7.220
229 HA MET 36 HA MET 36 111.508 -2.837 -8.266
230 1HB MET 36 1HB MET 36 108.725 -1.935 -8.851
231 2HB MET 36 2HB MET 36 110.056 -1.069 -9.606
232 1HG MET 36 1HG MET 36 110.777 -3.615 -10.124
233 2HG MET 36 2HG MET 36 109.017 -3.769 -10.117
234 1HE MET 36 1HE MET 36 108.127 -3.890 -12.762
235 2HE MET 36 2HE MET 36 109.648 -4.720 -12.435
236 3HE MET 36 3HE MET 36 109.485 -3.716 -13.875
237 H ARG 37 H ARG 37 109.317 -0.786 -6.381
238 HA ARG 37 HA ARG 37 111.574 1.030 -5.895
239 1HB ARG 37 1HB ARG 37 109.730 2.883 -5.893
240 2HB ARG 37 2HB ARG 37 110.455 2.365 -7.406
241 1HG ARG 37 1HG ARG 37 108.061 0.866 -6.608
242 2HG ARG 37 2HG ARG 37 107.795 2.574 -6.965
243 1HD ARG 37 1HD ARG 37 109.436 0.945 -8.844
244 2HD ARG 37 2HD ARG 37 107.683 0.754 -8.861
245 HE ARG 37 HE ARG 37 109.148 2.897 -9.967
246 1HH1 ARG 37 1HH1 ARG 37 106.222 2.249 -8.179
247 2HH1 ARG 37 2HH1 ARG 37 105.385 3.627 -8.807
248 1HH2 ARG 37 1HH2 ARG 37 108.049 4.712 -10.792
249 2HH2 ARG 37 2HH2 ARG 37 106.422 5.027 -10.290
250 H LEU 38 H LEU 38 110.465 -1.087 -4.267
251 HA LEU 38 HA LEU 38 108.690 -0.261 -2.319
252 1HB LEU 38 1HB LEU 38 110.740 -2.332 -2.591
253 2HB LEU 38 2HB LEU 38 110.432 -1.854 -0.926
254 HG LEU 38 HG LEU 38 108.352 -2.826 -2.886
255 1HD1 LEU 38 1HD1 LEU 38 108.335 -4.856 -1.707
256 2HD1 LEU 38 2HD1 LEU 38 109.307 -4.197 -0.391
257 3HD1 LEU 38 3HD1 LEU 38 110.040 -4.490 -1.967
258 1HD2 LEU 38 1HD2 LEU 38 107.283 -1.318 -1.452
259 2HD2 LEU 38 2HD2 LEU 38 108.206 -1.855 -0.055
260 3HD2 LEU 38 3HD2 LEU 38 106.974 -2.904 -0.752
261 H GLU 39 H GLU 39 112.210 0.168 -2.429
262 HA GLU 39 HA GLU 39 112.355 1.470 0.092
263 1HB GLU 39 1HB GLU 39 114.635 1.744 -0.313
264 2HB GLU 39 2HB GLU 39 114.233 0.261 -1.166
265 1HG GLU 39 1HG GLU 39 114.521 2.982 -2.418
266 2HG GLU 39 2HG GLU 39 115.726 1.697 -2.456
267 H ARG 40 H ARG 40 110.678 2.534 -2.389
268 HA ARG 40 HA ARG 40 111.532 5.333 -2.058
269 1HB ARG 40 1HB ARG 40 111.465 3.977 -4.409
270 2HB ARG 40 2HB ARG 40 109.838 4.641 -4.375
271 1HG ARG 40 1HG ARG 40 111.060 6.874 -3.823
272 2HG ARG 40 2HG ARG 40 112.457 6.054 -4.522
273 1HD ARG 40 1HD ARG 40 110.007 5.798 -6.102
274 2HD ARG 40 2HD ARG 40 110.577 7.458 -5.927
275 HE ARG 40 HE ARG 40 111.744 5.413 -7.520
276 1HH1 ARG 40 1HH1 ARG 40 112.537 8.186 -5.555
277 2HH1 ARG 40 2HH1 ARG 40 114.004 8.528 -6.409
278 1HH2 ARG 40 1HH2 ARG 40 113.672 5.863 -8.645
279 2HH2 ARG 40 2HH2 ARG 40 114.648 7.211 -8.165
280 H HIS 41 H HIS 41 109.272 3.072 -1.282
281 HA HIS 41 HA HIS 41 106.991 4.882 -1.282
282 1HB HIS 41 1HB HIS 41 107.378 1.932 -0.925
283 2HB HIS 41 2HB HIS 41 105.902 2.701 -0.363
284 HD1 HIS 41 HD1 HIS 41 104.996 4.465 -2.496
285 HD2 HIS 41 HD2 HIS 41 106.940 0.899 -3.368
286 HE1 HIS 41 HE1 HIS 41 104.365 3.918 -4.868
287 HE2 HIS 41 HE2 HIS 41 105.486 1.713 -5.346
288 H LEU 42 H LEU 42 109.537 4.147 0.727
289 HA LEU 42 HA LEU 42 108.113 4.184 3.224
290 1HB LEU 42 1HB LEU 42 111.039 4.309 2.508
291 2HB LEU 42 2HB LEU 42 110.434 4.278 4.158
292 HG LEU 42 HG LEU 42 109.276 2.093 2.726
293 1HD1 LEU 42 1HD1 LEU 42 112.050 2.666 2.026
294 2HD1 LEU 42 2HD1 LEU 42 110.887 1.576 1.272
295 3HD1 LEU 42 3HD1 LEU 42 111.801 1.047 2.688
296 1HD2 LEU 42 1HD2 LEU 42 109.409 1.609 4.894
297 2HD2 LEU 42 2HD2 LEU 42 110.810 2.649 5.143
298 3HD2 LEU 42 3HD2 LEU 42 111.023 1.027 4.493
299 H SER 43 H SER 43 108.073 5.861 4.689
300 HA SER 43 HA SER 43 108.186 8.497 3.580
301 1HB SER 43 1HB SER 43 107.272 9.245 5.647
302 2HB SER 43 2HB SER 43 106.524 7.677 5.324
303 HG SER 43 HG SER 43 108.419 8.393 7.251
304 H ALA 44 H ALA 44 109.374 10.281 4.611
305 HA ALA 44 HA ALA 44 112.096 9.955 4.526
306 1HB ALA 44 1HB ALA 44 111.015 12.139 4.433
307 2HB ALA 44 2HB ALA 44 112.286 12.119 5.657
308 3HB ALA 44 3HB ALA 44 110.593 12.014 6.141
309 H GLU 45 H GLU 45 109.980 9.621 7.317
310 HA GLU 45 HA GLU 45 112.105 9.312 9.212
311 1HB GLU 45 1HB GLU 45 109.573 7.988 9.894
312 2HB GLU 45 2HB GLU 45 110.477 9.202 10.778
313 1HG GLU 45 1HG GLU 45 109.514 10.747 8.839
314 2HG GLU 45 2HG GLU 45 108.264 9.502 8.854
315 H ASP 46 H ASP 46 109.887 7.119 7.569
316 HA ASP 46 HA ASP 46 110.847 4.720 8.583
317 1HB ASP 46 1HB ASP 46 109.604 5.305 5.889
318 2HB ASP 46 2HB ASP 46 109.852 3.686 6.542
319 H PHE 47 H PHE 47 111.638 6.194 5.410
320 HA PHE 47 HA PHE 47 113.568 4.417 4.597
321 1HB PHE 47 1HB PHE 47 112.565 6.476 3.394
322 2HB PHE 47 2HB PHE 47 113.895 7.368 4.137
323 HD1 PHE 47 HD1 PHE 47 113.170 4.409 2.030
324 HD2 PHE 47 HD2 PHE 47 115.968 7.412 3.125
325 HE1 PHE 47 HE1 PHE 47 114.675 3.672 0.214
326 HE2 PHE 47 HE2 PHE 47 117.472 6.690 1.315
327 HZ PHE 47 HZ PHE 47 116.819 4.820 -0.146
328 H SER 48 H SER 48 114.131 7.450 6.380
329 HA SER 48 HA SER 48 116.893 7.033 6.736
330 1HB SER 48 1HB SER 48 115.740 9.237 6.952
331 2HB SER 48 2HB SER 48 115.047 8.685 8.476
332 HG SER 48 HG SER 48 117.835 8.708 7.987
333 H ARG 49 H ARG 49 114.233 5.507 8.187
334 HA ARG 49 HA ARG 49 115.650 4.889 10.656
335 1HB ARG 49 1HB ARG 49 113.240 5.442 10.724
336 2HB ARG 49 2HB ARG 49 112.904 4.027 9.737
337 1HG ARG 49 1HG ARG 49 112.446 3.265 11.859
338 2HG ARG 49 2HG ARG 49 114.111 2.729 11.625
339 1HD ARG 49 1HD ARG 49 114.906 4.712 12.835
340 2HD ARG 49 2HD ARG 49 113.233 5.219 13.087
341 HE ARG 49 HE ARG 49 114.667 3.187 14.526
342 1HH1 ARG 49 1HH1 ARG 49 111.509 4.316 13.565
343 2HH1 ARG 49 2HH1 ARG 49 110.692 3.537 14.878
344 1HH2 ARG 49 1HH2 ARG 49 113.595 2.161 16.256
345 2HH2 ARG 49 2HH2 ARG 49 111.877 2.315 16.406
346 H VAL 50 H VAL 50 114.579 3.318 7.687
347 HA VAL 50 HA VAL 50 115.526 0.725 8.603
348 HB VAL 50 HB VAL 50 114.557 1.373 5.825
349 1HG1 VAL 50 1HG1 VAL 50 114.227 -0.911 5.569
350 2HG1 VAL 50 2HG1 VAL 50 114.248 -1.209 7.308
351 3HG1 VAL 50 3HG1 VAL 50 115.745 -0.817 6.463
352 1HG2 VAL 50 1HG2 VAL 50 112.930 2.064 7.657
353 2HG2 VAL 50 2HG2 VAL 50 112.794 0.346 8.027
354 3HG2 VAL 50 3HG2 VAL 50 112.333 0.943 6.432
355 H PHE 51 H PHE 51 116.492 3.264 6.361
356 HA PHE 51 HA PHE 51 118.864 1.680 5.644
357 1HB PHE 51 1HB PHE 51 117.698 4.096 4.254
358 2HB PHE 51 2HB PHE 51 119.071 3.146 3.697
359 HD1 PHE 51 HD1 PHE 51 118.404 0.461 3.693
360 HD2 PHE 51 HD2 PHE 51 115.790 3.756 3.086
361 HE1 PHE 51 HE1 PHE 51 116.870 -0.993 2.419
362 HE2 PHE 51 HE2 PHE 51 114.251 2.310 1.816
363 HZ PHE 51 HZ PHE 51 114.796 -0.062 1.484
364 H ALA 52 H ALA 52 117.828 4.798 6.914
365 HA ALA 52 HA ALA 52 118.958 6.290 8.249
366 1HB ALA 52 1HB ALA 52 121.493 4.739 7.885
367 2HB ALA 52 2HB ALA 52 120.237 4.202 9.001
368 3HB ALA 52 3HB ALA 52 121.012 5.770 9.233
369 H MET 53 H MET 53 119.029 6.024 5.184
370 HA MET 53 HA MET 53 120.960 8.196 4.739
371 1HB MET 53 1HB MET 53 120.919 6.941 2.327
372 2HB MET 53 2HB MET 53 122.172 6.743 3.546
373 1HG MET 53 1HG MET 53 121.468 4.666 4.145
374 2HG MET 53 2HG MET 53 119.784 4.994 3.726
375 1HE MET 53 1HE MET 53 119.112 5.575 1.330
376 2HE MET 53 2HE MET 53 119.770 4.775 -0.097
377 3HE MET 53 3HE MET 53 120.555 6.214 0.540
378 H SER 54 H SER 54 120.488 9.467 2.820
379 HA SER 54 HA SER 54 117.771 10.281 2.826
380 1HB SER 54 1HB SER 54 119.771 11.770 2.492
381 2HB SER 54 2HB SER 54 119.938 11.078 0.874
382 HG SER 54 HG SER 54 117.650 11.785 0.623
383 HA PRO 55 HA PRO 55 115.914 7.691 -0.275
384 1HB PRO 55 1HB PRO 55 114.708 10.270 -1.181
385 2HB PRO 55 2HB PRO 55 113.923 8.721 -0.850
386 1HG PRO 55 1HG PRO 55 113.747 10.738 0.886
387 2HG PRO 55 2HG PRO 55 113.913 9.060 1.441
388 1HD PRO 55 1HD PRO 55 115.923 11.255 1.412
389 2HD PRO 55 2HD PRO 55 115.745 9.897 2.544
390 H GLU 56 H GLU 56 117.458 10.742 -1.000
391 HA GLU 56 HA GLU 56 117.806 10.172 -3.800
392 1HB GLU 56 1HB GLU 56 118.965 12.253 -3.917
393 2HB GLU 56 2HB GLU 56 117.615 12.492 -2.812
394 1HG GLU 56 1HG GLU 56 119.100 12.291 -0.908
395 2HG GLU 56 2HG GLU 56 120.464 11.975 -1.986
396 H GLU 57 H GLU 57 119.632 9.893 -0.822
397 HA GLU 57 HA GLU 57 122.180 9.434 -1.796
398 1HB GLU 57 1HB GLU 57 120.747 8.768 0.714
399 2HB GLU 57 2HB GLU 57 122.072 7.683 0.314
400 1HG GLU 57 1HG GLU 57 123.225 10.094 -0.129
401 2HG GLU 57 2HG GLU 57 122.117 10.471 1.188
402 H PHE 58 H PHE 58 119.615 7.022 -1.189
403 HA PHE 58 HA PHE 58 120.821 4.683 -1.954
404 1HB PHE 58 1HB PHE 58 118.268 5.415 -1.383
405 2HB PHE 58 2HB PHE 58 118.120 5.132 -3.116
406 HD1 PHE 58 HD1 PHE 58 118.303 3.632 0.140
407 HD2 PHE 58 HD2 PHE 58 118.762 2.866 -4.022
408 HE1 PHE 58 HE1 PHE 58 118.045 1.227 0.562
409 HE2 PHE 58 HE2 PHE 58 118.503 0.455 -3.604
410 HZ PHE 58 HZ PHE 58 118.147 -0.369 -1.309
411 H GLY 59 H GLY 59 118.902 6.643 -4.251
412 1HA GLY 59 1HA GLY 59 119.658 5.333 -6.567
413 2HA GLY 59 2HA GLY 59 119.171 7.020 -6.501
414 H LYS 60 H LYS 60 121.497 7.574 -4.664
415 HA LYS 60 HA LYS 60 123.466 7.908 -6.799
416 1HB LYS 60 1HB LYS 60 122.804 9.346 -4.296
417 2HB LYS 60 2HB LYS 60 124.511 9.301 -4.735
418 1HG LYS 60 1HG LYS 60 124.024 11.129 -5.923
419 2HG LYS 60 2HG LYS 60 123.379 9.983 -7.106
420 1HD LYS 60 1HD LYS 60 121.526 10.753 -4.949
421 2HD LYS 60 2HD LYS 60 121.974 12.051 -6.059
422 1HE LYS 60 1HE LYS 60 121.479 10.093 -7.827
423 2HE LYS 60 2HE LYS 60 120.387 9.601 -6.533
424 1HZ LYS 60 1HZ LYS 60 119.081 11.008 -7.769
425 2HZ LYS 60 2HZ LYS 60 120.352 12.053 -8.158
426 3HZ LYS 60 3HZ LYS 60 119.684 12.077 -6.604
427 H LEU 61 H LEU 61 122.870 5.625 -4.519
428 HA LEU 61 HA LEU 61 125.513 5.275 -3.489
429 1HB LEU 61 1HB LEU 61 123.023 3.561 -3.406
430 2HB LEU 61 2HB LEU 61 124.496 3.191 -2.541
431 HG LEU 61 HG LEU 61 122.569 5.407 -2.031
432 1HD1 LEU 61 1HD1 LEU 61 123.406 2.918 -0.745
433 2HD1 LEU 61 2HD1 LEU 61 121.874 3.786 -0.664
434 3HD1 LEU 61 3HD1 LEU 61 123.233 4.300 0.336
435 1HD2 LEU 61 1HD2 LEU 61 124.448 5.827 -0.155
436 2HD2 LEU 61 2HD2 LEU 61 124.376 6.721 -1.673
437 3HD2 LEU 61 3HD2 LEU 61 125.471 5.347 -1.509
438 H ALA 62 H ALA 62 125.181 2.286 -3.844
439 HA ALA 62 HA ALA 62 126.004 2.079 -6.656
440 1HB ALA 62 1HB ALA 62 127.281 0.495 -4.442
441 2HB ALA 62 2HB ALA 62 127.921 2.037 -5.012
442 3HB ALA 62 3HB ALA 62 127.816 0.664 -6.114
443 H LEU 63 H LEU 63 126.301 -0.510 -7.047
444 HA LEU 63 HA LEU 63 123.614 -1.526 -6.860
445 1HB LEU 63 1HB LEU 63 125.218 -1.757 -8.825
446 2HB LEU 63 2HB LEU 63 126.021 -3.003 -7.887
447 HG LEU 63 HG LEU 63 123.204 -3.539 -7.961
448 1HD1 LEU 63 1HD1 LEU 63 122.989 -2.365 -9.989
449 2HD1 LEU 63 2HD1 LEU 63 123.136 -4.067 -10.433
450 3HD1 LEU 63 3HD1 LEU 63 124.522 -2.989 -10.604
451 1HD2 LEU 63 1HD2 LEU 63 125.161 -5.179 -9.459
452 2HD2 LEU 63 2HD2 LEU 63 123.918 -5.664 -8.306
453 3HD2 LEU 63 3HD2 LEU 63 125.435 -4.968 -7.729
454 H TRP 64 H TRP 64 126.619 -2.041 -5.207
455 HA TRP 64 HA TRP 64 125.748 -4.473 -3.924
456 1HB TRP 64 1HB TRP 64 127.950 -4.138 -2.708
457 2HB TRP 64 2HB TRP 64 128.080 -4.312 -4.465
458 HD1 TRP 64 HD1 TRP 64 129.091 -2.282 -5.779
459 HE1 TRP 64 HE1 TRP 64 130.008 0.014 -5.080
460 HE3 TRP 64 HE3 TRP 64 127.469 -2.280 -1.055
461 HZ2 TRP 64 HZ2 TRP 64 130.028 1.618 -2.704
462 HZ3 TRP 64 HZ3 TRP 64 127.972 -0.329 0.404
463 HH2 TRP 64 HH2 TRP 64 129.210 1.571 -0.419
464 H LYS 65 H LYS 65 126.071 -1.069 -3.378
465 HA LYS 65 HA LYS 65 125.530 -1.089 -0.579
466 1HB LYS 65 1HB LYS 65 126.458 0.803 -2.224
467 2HB LYS 65 2HB LYS 65 124.757 1.263 -2.228
468 1HG LYS 65 1HG LYS 65 124.752 1.688 0.079
469 2HG LYS 65 2HG LYS 65 126.283 0.837 0.322
470 1HD LYS 65 1HD LYS 65 127.393 2.578 -1.067
471 2HD LYS 65 2HD LYS 65 125.862 3.456 -1.114
472 1HE LYS 65 1HE LYS 65 126.551 4.480 0.746
473 2HE LYS 65 2HE LYS 65 126.227 2.951 1.575
474 1HZ LYS 65 1HZ LYS 65 128.533 4.045 1.805
475 2HZ LYS 65 2HZ LYS 65 128.830 3.407 0.267
476 3HZ LYS 65 3HZ LYS 65 128.447 2.374 1.551
477 H ARG 66 H ARG 66 123.504 -0.063 -3.334
478 HA ARG 66 HA ARG 66 121.088 0.217 -2.052
479 1HB ARG 66 1HB ARG 66 121.638 -0.869 -4.816
480 2HB ARG 66 2HB ARG 66 120.050 -0.372 -4.249
481 1HG ARG 66 1HG ARG 66 120.809 1.885 -3.955
482 2HG ARG 66 2HG ARG 66 122.457 1.410 -4.365
483 1HD ARG 66 1HD ARG 66 120.137 1.063 -6.251
484 2HD ARG 66 2HD ARG 66 121.120 2.534 -6.197
485 HE ARG 66 HE ARG 66 122.655 0.127 -6.511
486 1HH1 ARG 66 1HH1 ARG 66 120.859 2.608 -8.181
487 2HH1 ARG 66 2HH1 ARG 66 121.692 2.377 -9.681
488 1HH2 ARG 66 1HH2 ARG 66 123.753 -0.181 -8.483
489 2HH2 ARG 66 2HH2 ARG 66 123.335 0.793 -9.854
490 H ASN 67 H ASN 67 122.576 -2.681 -3.340
491 HA ASN 67 HA ASN 67 120.483 -4.486 -2.862
492 1HB ASN 67 1HB ASN 67 123.375 -4.664 -3.382
493 2HB ASN 67 2HB ASN 67 122.722 -6.021 -2.462
494 1HD2 ASN 67 1HD2 ASN 67 122.071 -4.066 -5.342
495 2HD2 ASN 67 2HD2 ASN 67 121.469 -5.370 -6.303
496 H GLU 68 H GLU 68 123.428 -4.167 -0.885
497 HA GLU 68 HA GLU 68 122.718 -5.626 1.290
498 1HB GLU 68 1HB GLU 68 124.802 -3.971 0.676
499 2HB GLU 68 2HB GLU 68 124.052 -3.108 2.011
500 1HG GLU 68 1HG GLU 68 124.113 -5.383 3.221
501 2HG GLU 68 2HG GLU 68 125.287 -5.831 1.983
502 H LEU 69 H LEU 69 121.798 -2.253 0.661
503 HA LEU 69 HA LEU 69 120.570 -1.793 3.157
504 1HB LEU 69 1HB LEU 69 119.725 -0.549 0.553
505 2HB LEU 69 2HB LEU 69 119.545 0.110 2.168
506 HG LEU 69 HG LEU 69 122.274 -0.464 1.242
507 1HD1 LEU 69 1HD1 LEU 69 122.327 0.971 -0.446
508 2HD1 LEU 69 2HD1 LEU 69 121.493 2.199 0.499
509 3HD1 LEU 69 3HD1 LEU 69 120.567 0.993 -0.383
510 1HD2 LEU 69 1HD2 LEU 69 122.172 0.374 3.416
511 2HD2 LEU 69 2HD2 LEU 69 120.920 1.544 2.999
512 3HD2 LEU 69 3HD2 LEU 69 122.574 1.786 2.438
513 H LYS 70 H LYS 70 119.055 -2.406 0.020
514 HA LYS 70 HA LYS 70 116.463 -2.943 1.004
515 1HB LYS 70 1HB LYS 70 117.940 -3.487 -1.527
516 2HB LYS 70 2HB LYS 70 116.453 -4.378 -1.241
517 1HG LYS 70 1HG LYS 70 115.151 -2.434 -1.227
518 2HG LYS 70 2HG LYS 70 116.560 -1.393 -1.008
519 1HD LYS 70 1HD LYS 70 116.056 -1.099 -3.253
520 2HD LYS 70 2HD LYS 70 117.310 -2.340 -3.300
521 1HE LYS 70 1HE LYS 70 115.337 -2.789 -4.774
522 2HE LYS 70 2HE LYS 70 115.699 -4.066 -3.613
523 1HZ LYS 70 1HZ LYS 70 113.817 -3.664 -2.441
524 2HZ LYS 70 2HZ LYS 70 113.271 -3.137 -3.952
525 3HZ LYS 70 3HZ LYS 70 113.788 -2.011 -2.802
526 H LYS 71 H LYS 71 119.361 -4.774 0.999
527 HA LYS 71 HA LYS 71 118.072 -7.337 1.355
528 1HB LYS 71 1HB LYS 71 120.931 -6.386 1.238
529 2HB LYS 71 2HB LYS 71 120.529 -8.035 1.728
530 1HG LYS 71 1HG LYS 71 119.566 -8.515 -0.382
531 2HG LYS 71 2HG LYS 71 119.597 -6.813 -0.853
532 1HD LYS 71 1HD LYS 71 121.425 -7.699 -1.984
533 2HD LYS 71 2HD LYS 71 122.156 -7.017 -0.530
534 1HE LYS 71 1HE LYS 71 122.157 -9.222 0.513
535 2HE LYS 71 2HE LYS 71 121.394 -9.910 -0.919
536 1HZ LYS 71 1HZ LYS 71 123.869 -8.445 -1.356
537 2HZ LYS 71 2HZ LYS 71 123.317 -9.876 -2.070
538 3HZ LYS 71 3HZ LYS 71 124.013 -9.913 -0.528
539 H LYS 72 H LYS 72 119.441 -4.818 3.312
540 HA LYS 72 HA LYS 72 119.349 -6.477 5.705
541 1HB LYS 72 1HB LYS 72 121.352 -5.141 5.468
542 2HB LYS 72 2HB LYS 72 120.398 -3.685 5.226
543 1HG LYS 72 1HG LYS 72 119.674 -4.905 7.714
544 2HG LYS 72 2HG LYS 72 121.427 -4.702 7.631
545 1HD LYS 72 1HD LYS 72 121.052 -2.595 8.288
546 2HD LYS 72 2HD LYS 72 120.483 -2.314 6.641
547 1HE LYS 72 1HE LYS 72 118.833 -1.494 8.184
548 2HE LYS 72 2HE LYS 72 118.197 -2.928 7.380
549 1HZ LYS 72 1HZ LYS 72 118.182 -4.097 9.288
550 2HZ LYS 72 2HZ LYS 72 118.123 -2.567 10.009
551 3HZ LYS 72 3HZ LYS 72 119.598 -3.387 9.884
552 H ALA 73 H ALA 73 117.646 -4.079 3.992
553 HA ALA 73 HA ALA 73 116.057 -3.125 6.198
554 1HB ALA 73 1HB ALA 73 116.275 -2.585 3.288
555 2HB ALA 73 2HB ALA 73 116.311 -1.462 4.647
556 3HB ALA 73 3HB ALA 73 114.776 -2.146 4.106
557 H GLU 74 H GLU 74 116.080 -6.001 4.681
558 HA GLU 74 HA GLU 74 114.605 -7.714 4.556
559 1HB GLU 74 1HB GLU 74 112.682 -5.820 5.921
560 2HB GLU 74 2HB GLU 74 112.424 -7.542 5.696
561 1HG GLU 74 1HG GLU 74 113.489 -7.969 7.579
562 2HG GLU 74 2HG GLU 74 114.941 -7.185 6.958
563 H LEU 75 H LEU 75 114.695 -5.268 2.650
564 HA LEU 75 HA LEU 75 112.477 -6.214 1.039
565 1HB LEU 75 1HB LEU 75 112.546 -3.533 0.376
566 2HB LEU 75 2HB LEU 75 111.287 -4.363 1.282
567 HG LEU 75 HG LEU 75 113.148 -3.728 3.195
568 1HD1 LEU 75 1HD1 LEU 75 114.497 -2.314 1.896
569 2HD1 LEU 75 2HD1 LEU 75 113.427 -1.226 2.784
570 3HD1 LEU 75 3HD1 LEU 75 113.103 -1.596 1.086
571 1HD2 LEU 75 1HD2 LEU 75 111.037 -3.330 3.880
572 2HD2 LEU 75 2HD2 LEU 75 110.525 -2.739 2.300
573 3HD2 LEU 75 3HD2 LEU 75 111.415 -1.678 3.392
574 H PHE 76 H PHE 76 114.402 -7.351 0.159
575 HA PHE 76 HA PHE 76 115.527 -5.727 -2.026
576 1HB PHE 76 1HB PHE 76 117.516 -6.100 -0.981
577 2HB PHE 76 2HB PHE 76 116.918 -7.516 -0.114
578 HD1 PHE 76 HD1 PHE 76 118.352 -6.300 -3.275
579 HD2 PHE 76 HD2 PHE 76 117.201 -9.713 -1.007
580 HE1 PHE 76 HE1 PHE 76 119.562 -7.751 -4.851
581 HE2 PHE 76 HE2 PHE 76 118.410 -11.169 -2.579
582 HZ PHE 76 HZ PHE 76 119.592 -10.188 -4.504
Start of MODEL 4
1 HT1 PRO 9 HT1 PRO 9 100.655 12.872 -9.359
2 HT2 PRO 9 HT2 PRO 9 101.474 12.423 -8.005
3 HA PRO 9 HA PRO 9 102.319 13.646 -10.331
4 1HB PRO 9 1HB PRO 9 104.066 14.751 -8.403
5 2HB PRO 9 2HB PRO 9 102.994 15.626 -9.504
6 1HG PRO 9 1HG PRO 9 102.560 14.828 -6.673
7 2HG PRO 9 2HG PRO 9 101.976 16.259 -7.543
8 1HD PRO 9 1HD PRO 9 100.317 14.256 -6.962
9 2HD PRO 9 2HD PRO 9 100.207 15.093 -8.522
10 H GLY 10 H GLY 10 103.285 12.530 -7.080
11 1HA GLY 10 1HA GLY 10 105.423 10.934 -8.304
12 2HA GLY 10 2HA GLY 10 105.278 11.319 -6.597
13 H LEU 11 H LEU 11 105.331 9.350 -5.732
14 HA LEU 11 HA LEU 11 103.254 7.452 -6.584
15 1HB LEU 11 1HB LEU 11 104.777 5.707 -5.615
16 2HB LEU 11 2HB LEU 11 105.309 6.458 -7.106
17 HG LEU 11 HG LEU 11 106.475 8.000 -5.097
18 1HD1 LEU 11 1HD1 LEU 11 105.751 5.868 -3.716
19 2HD1 LEU 11 2HD1 LEU 11 107.301 6.667 -3.447
20 3HD1 LEU 11 3HD1 LEU 11 107.221 5.206 -4.432
21 1HD2 LEU 11 1HD2 LEU 11 107.878 7.724 -6.829
22 2HD2 LEU 11 2HD2 LEU 11 107.295 6.096 -7.175
23 3HD2 LEU 11 3HD2 LEU 11 108.474 6.356 -5.888
24 H GLN 12 H GLN 12 102.529 5.958 -4.840
25 HA GLN 12 HA GLN 12 101.780 7.491 -2.531
26 1HB GLN 12 1HB GLN 12 100.777 5.156 -1.869
27 2HB GLN 12 2HB GLN 12 100.039 6.115 -3.144
28 1HG GLN 12 1HG GLN 12 102.127 4.193 -3.966
29 2HG GLN 12 2HG GLN 12 100.602 3.519 -3.393
30 1HE2 GLN 12 1HE2 GLN 12 98.775 3.746 -4.614
31 2HE2 GLN 12 2HE2 GLN 12 98.779 4.380 -6.220
32 H ILE 13 H ILE 13 102.305 7.121 -0.383
33 HA ILE 13 HA ILE 13 104.593 5.334 0.094
34 HB ILE 13 HB ILE 13 104.197 8.052 1.349
35 1HG1 ILE 13 1HG1 ILE 13 105.850 7.121 -0.990
36 2HG1 ILE 13 2HG1 ILE 13 104.763 8.506 -0.892
37 1HG2 ILE 13 1HG2 ILE 13 105.443 6.136 2.566
38 2HG2 ILE 13 2HG2 ILE 13 106.189 7.732 2.483
39 3HG2 ILE 13 3HG2 ILE 13 106.721 6.452 1.392
40 1HD1 ILE 13 1HD1 ILE 13 106.599 9.724 -0.626
41 2HD1 ILE 13 2HD1 ILE 13 107.592 8.305 -0.292
42 3HD1 ILE 13 3HD1 ILE 13 106.673 9.064 1.008
43 H TYR 14 H TYR 14 104.248 3.888 1.630
44 HA TYR 14 HA TYR 14 102.258 4.463 3.726
45 1HB TYR 14 1HB TYR 14 102.757 1.707 2.606
46 2HB TYR 14 2HB TYR 14 101.412 2.251 3.604
47 HD1 TYR 14 HD1 TYR 14 99.441 3.081 2.633
48 HD2 TYR 14 HD2 TYR 14 102.904 2.543 0.220
49 HE1 TYR 14 HE1 TYR 14 98.091 3.478 0.618
50 HE2 TYR 14 HE2 TYR 14 101.564 2.939 -1.800
51 HH TYR 14 HH TYR 14 98.717 2.614 -2.216
52 HA PRO 15 HA PRO 15 104.916 3.225 7.041
53 1HB PRO 15 1HB PRO 15 103.480 0.600 7.206
54 2HB PRO 15 2HB PRO 15 103.919 1.725 8.502
55 1HG PRO 15 1HG PRO 15 101.426 1.646 7.611
56 2HG PRO 15 2HG PRO 15 102.195 3.202 7.978
57 1HD PRO 15 1HD PRO 15 101.623 1.943 5.338
58 2HD PRO 15 2HD PRO 15 101.608 3.660 5.798
59 H TYR 16 H TYR 16 106.595 1.631 7.692
60 HA TYR 16 HA TYR 16 107.820 0.500 5.336
61 1HB TYR 16 1HB TYR 16 109.400 1.598 6.630
62 2HB TYR 16 2HB TYR 16 108.697 1.043 8.147
63 HD1 TYR 16 HD1 TYR 16 110.814 0.070 5.288
64 HD2 TYR 16 HD2 TYR 16 109.359 -1.001 9.132
65 HE1 TYR 16 HE1 TYR 16 112.478 -1.734 5.387
66 HE2 TYR 16 HE2 TYR 16 111.021 -2.814 9.264
67 HH TYR 16 HH TYR 16 113.551 -3.091 7.895
68 H GLU 17 H GLU 17 107.152 -0.774 8.612
69 HA GLU 17 HA GLU 17 107.673 -3.433 8.199
70 1HB GLU 17 1HB GLU 17 106.161 -1.877 10.100
71 2HB GLU 17 2HB GLU 17 105.331 -3.391 9.772
72 1HG GLU 17 1HG GLU 17 107.082 -4.678 10.572
73 2HG GLU 17 2HG GLU 17 108.254 -3.369 10.394
74 H MET 18 H MET 18 104.803 -1.644 7.237
75 HA MET 18 HA MET 18 103.360 -3.970 6.368
76 1HB MET 18 1HB MET 18 102.086 -2.058 7.058
77 2HB MET 18 2HB MET 18 102.946 -1.008 5.941
78 1HG MET 18 1HG MET 18 101.568 -1.486 4.269
79 2HG MET 18 2HG MET 18 101.651 -3.220 4.586
80 1HE MET 18 1HE MET 18 100.517 -3.772 7.349
81 2HE MET 18 2HE MET 18 99.941 -4.571 5.886
82 3HE MET 18 3HE MET 18 98.786 -3.890 7.032
83 H LEU 19 H LEU 19 105.613 -1.726 4.991
84 HA LEU 19 HA LEU 19 105.136 -2.617 2.268
85 1HB LEU 19 1HB LEU 19 106.898 -0.543 3.527
86 2HB LEU 19 2HB LEU 19 107.081 -0.992 1.840
87 HG LEU 19 HG LEU 19 104.537 0.087 3.054
88 1HD1 LEU 19 1HD1 LEU 19 106.501 1.679 3.015
89 2HD1 LEU 19 2HD1 LEU 19 105.066 2.192 2.128
90 3HD1 LEU 19 3HD1 LEU 19 106.456 1.546 1.257
91 1HD2 LEU 19 1HD2 LEU 19 104.317 0.529 0.442
92 2HD2 LEU 19 2HD2 LEU 19 103.784 -0.970 1.203
93 3HD2 LEU 19 3HD2 LEU 19 105.349 -0.900 0.393
94 H VAL 20 H VAL 20 106.771 -3.925 4.797
95 HA VAL 20 HA VAL 20 109.325 -4.476 3.761
96 HB VAL 20 HB VAL 20 107.775 -6.325 5.578
97 1HG1 VAL 20 1HG1 VAL 20 110.622 -5.977 4.829
98 2HG1 VAL 20 2HG1 VAL 20 109.714 -7.455 5.155
99 3HG1 VAL 20 3HG1 VAL 20 110.248 -6.429 6.491
100 1HG2 VAL 20 1HG2 VAL 20 109.542 -4.090 6.498
101 2HG2 VAL 20 2HG2 VAL 20 108.406 -5.060 7.434
102 3HG2 VAL 20 3HG2 VAL 20 107.810 -3.880 6.275
103 H VAL 21 H VAL 21 110.066 -6.740 3.068
104 HA VAL 21 HA VAL 21 108.211 -7.605 0.974
105 HB VAL 21 HB VAL 21 111.159 -8.153 1.257
106 1HG1 VAL 21 1HG1 VAL 21 110.931 -8.627 -1.218
107 2HG1 VAL 21 2HG1 VAL 21 109.189 -8.672 -0.954
108 3HG1 VAL 21 3HG1 VAL 21 110.238 -9.825 -0.127
109 1HG2 VAL 21 1HG2 VAL 21 110.724 -5.772 1.023
110 2HG2 VAL 21 2HG2 VAL 21 109.720 -6.084 -0.395
111 3HG2 VAL 21 3HG2 VAL 21 111.450 -6.420 -0.449
112 H THR 22 H THR 22 110.736 -9.344 2.830
113 HA THR 22 HA THR 22 108.960 -11.686 2.799
114 HB THR 22 HB THR 22 111.955 -11.471 3.105
115 HG1 THR 22 HG1 THR 22 110.400 -12.699 1.083
116 1HG2 THR 22 1HG2 THR 22 111.027 -13.364 4.432
117 2HG2 THR 22 2HG2 THR 22 112.100 -13.845 3.118
118 3HG2 THR 22 3HG2 THR 22 110.354 -14.010 2.935
119 H ASN 23 H ASN 23 111.248 -10.035 4.918
120 HA ASN 23 HA ASN 23 111.087 -11.410 7.219
121 1HB ASN 23 1HB ASN 23 111.071 -8.401 6.940
122 2HB ASN 23 2HB ASN 23 111.507 -9.280 8.408
123 1HD2 ASN 23 1HD2 ASN 23 112.425 -8.592 5.094
124 2HD2 ASN 23 2HD2 ASN 23 114.076 -9.079 5.256
125 H LYS 24 H LYS 24 108.455 -9.541 5.886
126 HA LYS 24 HA LYS 24 106.915 -10.059 8.343
127 1HB LYS 24 1HB LYS 24 107.049 -7.748 6.549
128 2HB LYS 24 2HB LYS 24 105.406 -8.249 6.930
129 1HG LYS 24 1HG LYS 24 106.421 -6.494 8.428
130 2HG LYS 24 2HG LYS 24 105.722 -7.897 9.234
131 1HD LYS 24 1HD LYS 24 107.834 -7.332 10.267
132 2HD LYS 24 2HD LYS 24 107.983 -8.875 9.425
133 1HE LYS 24 1HE LYS 24 109.775 -8.027 8.416
134 2HE LYS 24 2HE LYS 24 108.673 -6.988 7.517
135 1HZ LYS 24 1HZ LYS 24 110.209 -6.353 9.961
136 2HZ LYS 24 2HZ LYS 24 108.874 -5.426 9.493
137 3HZ LYS 24 3HZ LYS 24 110.218 -5.547 8.473
138 H GLY 25 H GLY 25 107.365 -11.920 6.082
139 1HA GLY 25 1HA GLY 25 105.651 -13.627 5.675
140 2HA GLY 25 2HA GLY 25 104.525 -12.316 5.364
141 H ARG 26 H ARG 26 104.433 -11.387 3.368
142 HA ARG 26 HA ARG 26 106.348 -12.285 1.351
143 1HB ARG 26 1HB ARG 26 103.414 -12.221 0.718
144 2HB ARG 26 2HB ARG 26 104.711 -13.033 -0.134
145 1HG ARG 26 1HG ARG 26 103.931 -14.876 0.845
146 2HG ARG 26 2HG ARG 26 104.797 -14.294 2.267
147 1HD ARG 26 1HD ARG 26 102.872 -13.489 3.269
148 2HD ARG 26 2HD ARG 26 102.001 -13.378 1.740
149 HE ARG 26 HE ARG 26 102.685 -16.067 2.514
150 1HH1 ARG 26 1HH1 ARG 26 100.318 -13.515 2.773
151 2HH1 ARG 26 2HH1 ARG 26 99.014 -14.592 3.143
152 1HH2 ARG 26 1HH2 ARG 26 100.973 -17.484 3.000
153 2HH2 ARG 26 2HH2 ARG 26 99.385 -16.847 3.272
154 H THR 27 H THR 27 104.857 -11.056 -0.814
155 HA THR 27 HA THR 27 105.791 -8.430 -0.513
156 HB THR 27 HB THR 27 105.497 -9.599 -2.702
157 HG1 THR 27 HG1 THR 27 104.052 -7.195 -2.800
158 1HG2 THR 27 1HG2 THR 27 103.441 -9.681 -3.837
159 2HG2 THR 27 2HG2 THR 27 102.617 -8.776 -2.567
160 3HG2 THR 27 3HG2 THR 27 103.169 -10.426 -2.263
161 H LYS 28 H LYS 28 102.387 -9.515 -0.755
162 HA LYS 28 HA LYS 28 100.456 -8.444 -0.129
163 1HB LYS 28 1HB LYS 28 102.157 -8.235 2.345
164 2HB LYS 28 2HB LYS 28 100.395 -8.159 2.303
165 1HG LYS 28 1HG LYS 28 100.341 -10.352 2.552
166 2HG LYS 28 2HG LYS 28 101.137 -10.524 0.984
167 1HD LYS 28 1HD LYS 28 102.607 -11.625 2.376
168 2HD LYS 28 2HD LYS 28 103.298 -10.002 2.333
169 1HE LYS 28 1HE LYS 28 103.302 -10.316 4.587
170 2HE LYS 28 2HE LYS 28 101.664 -9.688 4.411
171 1HZ LYS 28 1HZ LYS 28 101.031 -11.538 5.444
172 2HZ LYS 28 2HZ LYS 28 102.537 -12.282 5.248
173 3HZ LYS 28 3HZ LYS 28 101.385 -12.367 4.012
174 H LEU 29 H LEU 29 102.547 -6.575 -1.239
175 HA LEU 29 HA LEU 29 102.673 -4.202 0.172
176 1HB LEU 29 1HB LEU 29 102.964 -5.042 -2.634
177 2HB LEU 29 2HB LEU 29 102.700 -3.336 -2.374
178 HG LEU 29 HG LEU 29 105.006 -3.586 -2.511
179 1HD1 LEU 29 1HD1 LEU 29 104.354 -3.614 0.430
180 2HD1 LEU 29 2HD1 LEU 29 104.342 -2.201 -0.622
181 3HD1 LEU 29 3HD1 LEU 29 105.854 -3.042 -0.288
182 1HD2 LEU 29 1HD2 LEU 29 105.926 -5.335 -0.620
183 2HD2 LEU 29 2HD2 LEU 29 105.775 -5.668 -2.344
184 3HD2 LEU 29 3HD2 LEU 29 104.490 -6.146 -1.238
185 HA PRO 30 HA PRO 30 98.579 -2.480 0.057
186 1HB PRO 30 1HB PRO 30 99.390 0.180 -0.037
187 2HB PRO 30 2HB PRO 30 99.201 -0.767 1.444
188 1HG PRO 30 1HG PRO 30 101.674 -0.138 -0.112
189 2HG PRO 30 2HG PRO 30 101.440 -0.222 1.646
190 1HD PRO 30 1HD PRO 30 102.643 -2.208 0.293
191 2HD PRO 30 2HD PRO 30 101.575 -2.537 1.678
192 HA PRO 31 HA PRO 31 97.771 -1.199 -4.109
193 1HB PRO 31 1HB PRO 31 96.631 1.424 -3.513
194 2HB PRO 31 2HB PRO 31 95.821 -0.045 -4.066
195 1HG PRO 31 1HG PRO 31 95.488 0.955 -1.571
196 2HG PRO 31 2HG PRO 31 95.408 -0.780 -1.927
197 1HD PRO 31 1HD PRO 31 97.660 0.813 -0.757
198 2HD PRO 31 2HD PRO 31 97.060 -0.797 -0.299
199 H GLY 32 H GLY 32 99.628 -0.820 -5.245
200 1HA GLY 32 1HA GLY 32 100.703 0.782 -6.675
201 2HA GLY 32 2HA GLY 32 100.488 1.989 -5.422
202 H VAL 33 H VAL 33 101.856 -1.285 -5.129
203 HA VAL 33 HA VAL 33 104.501 -0.123 -4.690
204 HB VAL 33 HB VAL 33 104.175 -2.208 -2.797
205 1HG1 VAL 33 1HG1 VAL 33 104.470 0.585 -1.925
206 2HG1 VAL 33 2HG1 VAL 33 105.671 -0.021 -3.064
207 3HG1 VAL 33 3HG1 VAL 33 105.428 -0.839 -1.523
208 1HG2 VAL 33 1HG2 VAL 33 102.495 0.042 -1.908
209 2HG2 VAL 33 2HG2 VAL 33 102.412 -1.671 -1.502
210 3HG2 VAL 33 3HG2 VAL 33 101.755 -1.099 -3.029
211 H ASP 34 H ASP 34 105.952 -1.105 -5.830
212 HA ASP 34 HA ASP 34 105.551 -3.940 -6.512
213 1HB ASP 34 1HB ASP 34 105.558 -1.925 -8.320
214 2HB ASP 34 2HB ASP 34 107.283 -2.292 -8.263
215 H ARG 35 H ARG 35 107.379 -5.275 -6.508
216 HA ARG 35 HA ARG 35 109.306 -4.640 -4.539
217 1HB ARG 35 1HB ARG 35 109.505 -6.878 -6.550
218 2HB ARG 35 2HB ARG 35 110.219 -6.809 -4.944
219 1HG ARG 35 1HG ARG 35 107.279 -6.578 -5.077
220 2HG ARG 35 2HG ARG 35 107.971 -8.147 -5.507
221 1HD ARG 35 1HD ARG 35 108.825 -6.719 -3.013
222 2HD ARG 35 2HD ARG 35 107.344 -7.676 -3.041
223 HE ARG 35 HE ARG 35 110.016 -8.664 -2.960
224 1HH1 ARG 35 1HH1 ARG 35 106.817 -9.368 -4.159
225 2HH1 ARG 35 2HH1 ARG 35 107.063 -11.082 -4.177
226 1HH2 ARG 35 1HH2 ARG 35 110.345 -10.919 -2.981
227 2HH2 ARG 35 2HH2 ARG 35 109.065 -11.963 -3.507
228 H MET 36 H MET 36 109.160 -3.809 -7.806
229 HA MET 36 HA MET 36 111.851 -3.980 -8.581
230 1HB MET 36 1HB MET 36 109.418 -2.789 -9.591
231 2HB MET 36 2HB MET 36 110.783 -1.710 -9.840
232 1HG MET 36 1HG MET 36 110.942 -4.598 -10.606
233 2HG MET 36 2HG MET 36 110.196 -3.404 -11.673
234 1HE MET 36 1HE MET 36 112.555 -1.369 -13.144
235 2HE MET 36 2HE MET 36 112.740 -0.714 -11.517
236 3HE MET 36 3HE MET 36 111.155 -1.247 -12.078
237 H ARG 37 H ARG 37 110.059 -1.411 -6.924
238 HA ARG 37 HA ARG 37 112.605 -0.307 -6.010
239 1HB ARG 37 1HB ARG 37 111.416 2.026 -6.431
240 2HB ARG 37 2HB ARG 37 112.402 1.256 -7.659
241 1HG ARG 37 1HG ARG 37 109.667 0.363 -7.841
242 2HG ARG 37 2HG ARG 37 109.765 2.124 -7.895
243 1HD ARG 37 1HD ARG 37 111.378 1.998 -9.710
244 2HD ARG 37 2HD ARG 37 111.352 0.236 -9.633
245 HE ARG 37 HE ARG 37 108.769 0.826 -10.068
246 1HH1 ARG 37 1HH1 ARG 37 111.697 1.880 -11.650
247 2HH1 ARG 37 2HH1 ARG 37 110.934 2.101 -13.187
248 1HH2 ARG 37 1HH2 ARG 37 107.766 1.116 -12.088
249 2HH2 ARG 37 2HH2 ARG 37 108.702 1.668 -13.437
250 H LEU 38 H LEU 38 111.052 -1.795 -4.408
251 HA LEU 38 HA LEU 38 108.994 -0.520 -3.048
252 1HB LEU 38 1HB LEU 38 110.748 -2.820 -2.594
253 2HB LEU 38 2HB LEU 38 110.151 -2.076 -1.116
254 HG LEU 38 HG LEU 38 108.418 -3.053 -3.389
255 1HD1 LEU 38 1HD1 LEU 38 107.755 -4.824 -1.846
256 2HD1 LEU 38 2HD1 LEU 38 108.922 -4.236 -0.661
257 3HD1 LEU 38 3HD1 LEU 38 109.482 -4.896 -2.199
258 1HD2 LEU 38 1HD2 LEU 38 106.566 -2.505 -2.055
259 2HD2 LEU 38 2HD2 LEU 38 107.620 -1.094 -2.012
260 3HD2 LEU 38 3HD2 LEU 38 107.573 -2.198 -0.640
261 H GLU 39 H GLU 39 112.470 -0.234 -2.680
262 HA GLU 39 HA GLU 39 112.349 1.235 -0.248
263 1HB GLU 39 1HB GLU 39 114.725 1.689 -0.627
264 2HB GLU 39 2HB GLU 39 114.350 -0.016 -0.812
265 1HG GLU 39 1HG GLU 39 115.809 0.465 -2.551
266 2HG GLU 39 2HG GLU 39 114.216 0.449 -3.304
267 H ARG 40 H ARG 40 110.938 2.131 -2.891
268 HA ARG 40 HA ARG 40 111.883 4.915 -2.759
269 1HB ARG 40 1HB ARG 40 111.749 3.235 -4.966
270 2HB ARG 40 2HB ARG 40 110.324 4.250 -5.118
271 1HG ARG 40 1HG ARG 40 112.382 6.005 -4.458
272 2HG ARG 40 2HG ARG 40 113.096 4.873 -5.608
273 1HD ARG 40 1HD ARG 40 110.411 6.004 -6.212
274 2HD ARG 40 2HD ARG 40 111.820 7.044 -6.409
275 HE ARG 40 HE ARG 40 112.075 4.473 -7.676
276 1HH1 ARG 40 1HH1 ARG 40 110.948 7.755 -8.047
277 2HH1 ARG 40 2HH1 ARG 40 111.042 7.723 -9.776
278 1HH2 ARG 40 1HH2 ARG 40 112.198 4.431 -9.949
279 2HH2 ARG 40 2HH2 ARG 40 111.752 5.837 -10.856
280 H HIS 41 H HIS 41 109.496 2.824 -1.911
281 HA HIS 41 HA HIS 41 107.309 4.748 -2.177
282 1HB HIS 41 1HB HIS 41 107.490 1.788 -1.729
283 2HB HIS 41 2HB HIS 41 106.039 2.656 -1.258
284 HD1 HIS 41 HD1 HIS 41 104.922 4.099 -3.321
285 HD2 HIS 41 HD2 HIS 41 107.509 1.002 -4.313
286 HE1 HIS 41 HE1 HIS 41 104.443 3.566 -5.731
287 HE2 HIS 41 HE2 HIS 41 105.964 1.638 -6.286
288 H LEU 42 H LEU 42 109.691 4.059 -0.033
289 HA LEU 42 HA LEU 42 108.161 4.102 2.398
290 1HB LEU 42 1HB LEU 42 111.110 4.213 1.788
291 2HB LEU 42 2HB LEU 42 110.458 4.243 3.421
292 HG LEU 42 HG LEU 42 109.444 2.023 1.813
293 1HD1 LEU 42 1HD1 LEU 42 111.309 0.927 1.261
294 2HD1 LEU 42 2HD1 LEU 42 112.181 1.470 2.699
295 3HD1 LEU 42 3HD1 LEU 42 112.053 2.529 1.285
296 1HD2 LEU 42 1HD2 LEU 42 110.900 2.026 4.428
297 2HD2 LEU 42 2HD2 LEU 42 109.747 0.837 3.819
298 3HD2 LEU 42 3HD2 LEU 42 109.197 2.451 4.270
299 H SER 43 H SER 43 107.964 5.776 3.812
300 HA SER 43 HA SER 43 108.045 8.408 2.741
301 1HB SER 43 1HB SER 43 107.819 7.952 5.688
302 2HB SER 43 2HB SER 43 106.917 9.060 4.648
303 HG SER 43 HG SER 43 105.446 7.549 4.881
304 H ALA 44 H ALA 44 109.188 10.231 3.707
305 HA ALA 44 HA ALA 44 111.924 9.976 3.676
306 1HB ALA 44 1HB ALA 44 110.097 12.043 4.817
307 2HB ALA 44 2HB ALA 44 111.212 12.155 3.454
308 3HB ALA 44 3HB ALA 44 111.834 12.164 5.106
309 H GLU 45 H GLU 45 109.737 9.392 6.307
310 HA GLU 45 HA GLU 45 111.821 9.301 8.311
311 1HB GLU 45 1HB GLU 45 109.334 7.945 9.025
312 2HB GLU 45 2HB GLU 45 110.150 9.277 9.822
313 1HG GLU 45 1HG GLU 45 108.234 9.449 7.514
314 2HG GLU 45 2HG GLU 45 107.950 9.959 9.177
315 H ASP 46 H ASP 46 109.614 6.968 6.809
316 HA ASP 46 HA ASP 46 110.633 4.634 7.883
317 1HB ASP 46 1HB ASP 46 109.555 4.982 5.079
318 2HB ASP 46 2HB ASP 46 109.621 3.478 5.999
319 H PHE 47 H PHE 47 111.636 6.321 4.915
320 HA PHE 47 HA PHE 47 113.550 4.473 4.079
321 1HB PHE 47 1HB PHE 47 112.555 6.586 2.907
322 2HB PHE 47 2HB PHE 47 113.933 7.411 3.640
323 HD1 PHE 47 HD1 PHE 47 113.206 4.298 1.737
324 HD2 PHE 47 HD2 PHE 47 115.839 7.571 2.392
325 HE1 PHE 47 HE1 PHE 47 114.656 3.508 -0.098
326 HE2 PHE 47 HE2 PHE 47 117.280 6.792 0.558
327 HZ PHE 47 HZ PHE 47 116.684 4.762 -0.692
328 H SER 48 H SER 48 114.290 7.645 5.529
329 HA SER 48 HA SER 48 116.959 7.073 6.097
330 1HB SER 48 1HB SER 48 115.033 9.064 7.304
331 2HB SER 48 2HB SER 48 116.734 8.993 7.764
332 HG SER 48 HG SER 48 117.215 9.284 5.504
333 H ARG 49 H ARG 49 114.123 5.977 7.696
334 HA ARG 49 HA ARG 49 115.423 5.539 10.244
335 1HB ARG 49 1HB ARG 49 113.047 6.091 10.210
336 2HB ARG 49 2HB ARG 49 112.713 4.675 9.222
337 1HG ARG 49 1HG ARG 49 112.097 4.239 11.505
338 2HG ARG 49 2HG ARG 49 113.480 3.236 11.065
339 1HD ARG 49 1HD ARG 49 114.605 5.571 12.067
340 2HD ARG 49 2HD ARG 49 113.232 5.253 13.131
341 HE ARG 49 HE ARG 49 114.449 2.845 12.966
342 1HH1 ARG 49 1HH1 ARG 49 115.610 6.047 13.726
343 2HH1 ARG 49 2HH1 ARG 49 116.863 5.478 14.777
344 1HH2 ARG 49 1HH2 ARG 49 116.096 2.095 14.349
345 2HH2 ARG 49 2HH2 ARG 49 117.140 3.236 15.131
346 H VAL 50 H VAL 50 114.711 3.753 7.338
347 HA VAL 50 HA VAL 50 115.568 1.245 8.580
348 HB VAL 50 HB VAL 50 114.608 1.639 5.747
349 1HG1 VAL 50 1HG1 VAL 50 115.933 -0.426 6.422
350 2HG1 VAL 50 2HG1 VAL 50 114.372 -0.687 5.643
351 3HG1 VAL 50 3HG1 VAL 50 114.528 -0.870 7.390
352 1HG2 VAL 50 1HG2 VAL 50 112.797 0.417 7.722
353 2HG2 VAL 50 2HG2 VAL 50 112.445 1.465 6.348
354 3HG2 VAL 50 3HG2 VAL 50 113.031 2.160 7.863
355 H PHE 51 H PHE 51 116.406 3.416 5.914
356 HA PHE 51 HA PHE 51 118.819 1.874 5.371
357 1HB PHE 51 1HB PHE 51 117.563 4.209 3.935
358 2HB PHE 51 2HB PHE 51 119.040 3.397 3.429
359 HD1 PHE 51 HD1 PHE 51 118.568 0.627 3.592
360 HD2 PHE 51 HD2 PHE 51 115.825 3.698 2.566
361 HE1 PHE 51 HE1 PHE 51 117.245 -0.992 2.293
362 HE2 PHE 51 HE2 PHE 51 114.489 2.085 1.262
363 HZ PHE 51 HZ PHE 51 115.208 -0.262 1.127
364 H ALA 52 H ALA 52 117.855 4.941 6.734
365 HA ALA 52 HA ALA 52 119.047 6.371 8.080
366 1HB ALA 52 1HB ALA 52 120.825 4.172 7.897
367 2HB ALA 52 2HB ALA 52 120.737 5.421 9.135
368 3HB ALA 52 3HB ALA 52 121.760 5.656 7.717
369 H MET 53 H MET 53 119.330 5.997 4.808
370 HA MET 53 HA MET 53 120.882 8.496 4.558
371 1HB MET 53 1HB MET 53 121.990 7.727 2.764
372 2HB MET 53 2HB MET 53 121.566 6.149 3.412
373 1HG MET 53 1HG MET 53 119.989 7.632 1.324
374 2HG MET 53 2HG MET 53 121.158 6.354 0.999
375 1HE MET 53 1HE MET 53 120.939 3.950 1.920
376 2HE MET 53 2HE MET 53 120.253 4.196 0.311
377 3HE MET 53 3HE MET 53 119.404 3.193 1.490
378 H SER 54 H SER 54 120.328 9.618 2.426
379 HA SER 54 HA SER 54 117.547 10.337 2.583
380 1HB SER 54 1HB SER 54 119.150 12.106 2.314
381 2HB SER 54 2HB SER 54 119.867 11.307 0.907
382 HG SER 54 HG SER 54 118.455 12.316 -0.261
383 HA PRO 55 HA PRO 55 115.869 7.835 -0.676
384 1HB PRO 55 1HB PRO 55 114.625 10.365 -1.640
385 2HB PRO 55 2HB PRO 55 113.869 8.809 -1.284
386 1HG PRO 55 1HG PRO 55 113.605 10.870 0.389
387 2HG PRO 55 2HG PRO 55 113.794 9.213 0.997
388 1HD PRO 55 1HD PRO 55 115.776 11.442 0.916
389 2HD PRO 55 2HD PRO 55 115.569 10.154 2.125
390 H GLU 56 H GLU 56 117.510 10.841 -1.263
391 HA GLU 56 HA GLU 56 117.947 10.246 -4.073
392 1HB GLU 56 1HB GLU 56 118.509 12.442 -4.313
393 2HB GLU 56 2HB GLU 56 117.597 12.584 -2.814
394 1HG GLU 56 1HG GLU 56 119.956 12.156 -1.728
395 2HG GLU 56 2HG GLU 56 120.523 12.776 -3.281
396 H GLU 57 H GLU 57 119.426 9.639 -1.068
397 HA GLU 57 HA GLU 57 122.129 9.562 -1.976
398 1HB GLU 57 1HB GLU 57 120.704 9.030 0.556
399 2HB GLU 57 2HB GLU 57 122.086 7.982 0.272
400 1HG GLU 57 1HG GLU 57 123.519 9.925 -0.018
401 2HG GLU 57 2HG GLU 57 122.133 10.987 0.229
402 H PHE 58 H PHE 58 119.648 7.089 -1.286
403 HA PHE 58 HA PHE 58 120.965 4.748 -1.805
404 1HB PHE 58 1HB PHE 58 118.380 5.406 -1.441
405 2HB PHE 58 2HB PHE 58 118.335 5.102 -3.174
406 HD1 PHE 58 HD1 PHE 58 119.298 2.821 -3.959
407 HD2 PHE 58 HD2 PHE 58 118.120 3.672 0.036
408 HE1 PHE 58 HE1 PHE 58 119.047 0.412 -3.519
409 HE2 PHE 58 HE2 PHE 58 117.884 1.267 0.487
410 HZ PHE 58 HZ PHE 58 118.343 -0.372 -1.289
411 H GLY 59 H GLY 59 119.319 6.691 -4.323
412 1HA GLY 59 1HA GLY 59 120.219 5.205 -6.517
413 2HA GLY 59 2HA GLY 59 119.720 6.890 -6.576
414 H LYS 60 H LYS 60 121.842 7.608 -4.601
415 HA LYS 60 HA LYS 60 124.003 7.855 -6.545
416 1HB LYS 60 1HB LYS 60 123.572 9.216 -3.880
417 2HB LYS 60 2HB LYS 60 124.909 9.547 -4.979
418 1HG LYS 60 1HG LYS 60 122.384 9.764 -6.350
419 2HG LYS 60 2HG LYS 60 122.413 10.791 -4.911
420 1HD LYS 60 1HD LYS 60 124.918 11.028 -6.263
421 2HD LYS 60 2HD LYS 60 123.618 11.259 -7.433
422 1HE LYS 60 1HE LYS 60 123.832 13.397 -6.659
423 2HE LYS 60 2HE LYS 60 122.633 12.783 -5.522
424 1HZ LYS 60 1HZ LYS 60 124.688 14.043 -4.642
425 2HZ LYS 60 2HZ LYS 60 125.499 12.578 -4.883
426 3HZ LYS 60 3HZ LYS 60 124.173 12.648 -3.835
427 H LEU 61 H LEU 61 123.230 5.610 -4.324
428 HA LEU 61 HA LEU 61 125.791 5.347 -3.046
429 1HB LEU 61 1HB LEU 61 123.267 3.684 -2.995
430 2HB LEU 61 2HB LEU 61 124.690 3.314 -2.046
431 HG LEU 61 HG LEU 61 122.933 5.728 -1.785
432 1HD1 LEU 61 1HD1 LEU 61 122.047 4.780 0.028
433 2HD1 LEU 61 2HD1 LEU 61 123.571 4.047 0.523
434 3HD1 LEU 61 3HD1 LEU 61 122.587 3.281 -0.726
435 1HD2 LEU 61 1HD2 LEU 61 125.581 5.121 -0.502
436 2HD2 LEU 61 2HD2 LEU 61 124.448 6.325 0.112
437 3HD2 LEU 61 3HD2 LEU 61 125.156 6.518 -1.491
438 H ALA 62 H ALA 62 125.448 2.317 -3.275
439 HA ALA 62 HA ALA 62 126.479 2.017 -6.011
440 1HB ALA 62 1HB ALA 62 127.584 0.492 -3.676
441 2HB ALA 62 2HB ALA 62 128.258 2.026 -4.217
442 3HB ALA 62 3HB ALA 62 128.248 0.635 -5.302
443 H LEU 63 H LEU 63 126.524 -0.294 -6.747
444 HA LEU 63 HA LEU 63 123.932 -1.409 -6.548
445 1HB LEU 63 1HB LEU 63 125.585 -1.566 -8.476
446 2HB LEU 63 2HB LEU 63 126.371 -2.843 -7.565
447 HG LEU 63 HG LEU 63 123.545 -3.366 -7.751
448 1HD1 LEU 63 1HD1 LEU 63 123.697 -2.015 -9.801
449 2HD1 LEU 63 2HD1 LEU 63 123.343 -3.711 -10.129
450 3HD1 LEU 63 3HD1 LEU 63 124.971 -3.083 -10.389
451 1HD2 LEU 63 1HD2 LEU 63 124.257 -5.492 -8.100
452 2HD2 LEU 63 2HD2 LEU 63 125.752 -4.823 -7.444
453 3HD2 LEU 63 3HD2 LEU 63 125.555 -4.998 -9.188
454 H TRP 64 H TRP 64 126.901 -2.025 -4.831
455 HA TRP 64 HA TRP 64 125.960 -4.509 -3.702
456 1HB TRP 64 1HB TRP 64 128.133 -4.291 -2.423
457 2HB TRP 64 2HB TRP 64 128.311 -4.342 -4.182
458 HD1 TRP 64 HD1 TRP 64 129.386 -2.240 -5.321
459 HE1 TRP 64 HE1 TRP 64 130.307 -0.013 -4.432
460 HE3 TRP 64 HE3 TRP 64 127.629 -2.551 -0.658
461 HZ2 TRP 64 HZ2 TRP 64 130.282 1.415 -1.948
462 HZ3 TRP 64 HZ3 TRP 64 128.114 -0.719 0.952
463 HH2 TRP 64 HH2 TRP 64 129.399 1.217 0.305
464 H LYS 65 H LYS 65 126.297 -1.142 -2.979
465 HA LYS 65 HA LYS 65 125.653 -1.316 -0.202
466 1HB LYS 65 1HB LYS 65 126.588 0.676 -1.856
467 2HB LYS 65 2HB LYS 65 124.926 1.184 -1.571
468 1HG LYS 65 1HG LYS 65 126.237 0.348 0.875
469 2HG LYS 65 2HG LYS 65 127.108 1.655 0.063
470 1HD LYS 65 1HD LYS 65 125.180 3.051 0.079
471 2HD LYS 65 2HD LYS 65 124.144 1.720 0.609
472 1HE LYS 65 1HE LYS 65 124.775 3.373 2.396
473 2HE LYS 65 2HE LYS 65 125.150 1.682 2.759
474 1HZ LYS 65 1HZ LYS 65 126.919 3.453 3.228
475 2HZ LYS 65 2HZ LYS 65 127.179 3.459 1.556
476 3HZ LYS 65 3HZ LYS 65 127.406 2.036 2.442
477 H ARG 66 H ARG 66 123.793 -0.076 -2.980
478 HA ARG 66 HA ARG 66 121.305 0.198 -1.895
479 1HB ARG 66 1HB ARG 66 122.062 -0.909 -4.601
480 2HB ARG 66 2HB ARG 66 120.424 -0.451 -4.164
481 1HG ARG 66 1HG ARG 66 121.259 1.840 -3.696
482 2HG ARG 66 2HG ARG 66 122.828 1.334 -4.323
483 1HD ARG 66 1HD ARG 66 120.443 0.840 -6.019
484 2HD ARG 66 2HD ARG 66 120.997 2.513 -5.849
485 HE ARG 66 HE ARG 66 123.264 1.175 -6.460
486 1HH1 ARG 66 1HH1 ARG 66 120.105 1.294 -7.937
487 2HH1 ARG 66 2HH1 ARG 66 120.704 1.002 -9.536
488 1HH2 ARG 66 1HH2 ARG 66 124.055 0.792 -8.561
489 2HH2 ARG 66 2HH2 ARG 66 122.946 0.716 -9.890
490 H ASN 67 H ASN 67 122.786 -2.733 -3.140
491 HA ASN 67 HA ASN 67 120.643 -4.498 -2.729
492 1HB ASN 67 1HB ASN 67 123.567 -4.742 -3.118
493 2HB ASN 67 2HB ASN 67 122.798 -6.108 -2.312
494 1HD2 ASN 67 1HD2 ASN 67 122.280 -3.965 -5.096
495 2HD2 ASN 67 2HD2 ASN 67 121.751 -5.211 -6.171
496 H GLU 68 H GLU 68 123.554 -4.272 -0.702
497 HA GLU 68 HA GLU 68 122.758 -5.696 1.467
498 1HB GLU 68 1HB GLU 68 124.617 -3.416 1.081
499 2HB GLU 68 2HB GLU 68 124.182 -3.817 2.737
500 1HG GLU 68 1HG GLU 68 125.125 -5.947 2.594
501 2HG GLU 68 2HG GLU 68 125.169 -5.906 0.832
502 H LEU 69 H LEU 69 121.964 -2.312 0.767
503 HA LEU 69 HA LEU 69 120.741 -1.725 3.229
504 1HB LEU 69 1HB LEU 69 119.923 -0.612 0.556
505 2HB LEU 69 2HB LEU 69 119.688 0.118 2.130
506 HG LEU 69 HG LEU 69 122.425 -0.433 1.156
507 1HD1 LEU 69 1HD1 LEU 69 121.568 2.274 0.679
508 2HD1 LEU 69 2HD1 LEU 69 120.630 1.119 -0.266
509 3HD1 LEU 69 3HD1 LEU 69 122.389 1.147 -0.401
510 1HD2 LEU 69 1HD2 LEU 69 121.219 1.596 3.018
511 2HD2 LEU 69 2HD2 LEU 69 122.922 1.541 2.565
512 3HD2 LEU 69 3HD2 LEU 69 122.205 0.205 3.466
513 H LYS 70 H LYS 70 119.176 -2.402 0.131
514 HA LYS 70 HA LYS 70 116.597 -2.865 1.123
515 1HB LYS 70 1HB LYS 70 118.080 -3.562 -1.355
516 2HB LYS 70 2HB LYS 70 116.593 -4.447 -1.036
517 1HG LYS 70 1HG LYS 70 115.300 -2.467 -1.063
518 2HG LYS 70 2HG LYS 70 116.741 -1.447 -1.030
519 1HD LYS 70 1HD LYS 70 116.303 -1.337 -3.258
520 2HD LYS 70 2HD LYS 70 117.263 -2.818 -3.257
521 1HE LYS 70 1HE LYS 70 115.269 -3.155 -4.572
522 2HE LYS 70 2HE LYS 70 115.176 -4.130 -3.106
523 1HZ LYS 70 1HZ LYS 70 113.189 -3.201 -2.825
524 2HZ LYS 70 2HZ LYS 70 113.468 -2.010 -3.993
525 3HZ LYS 70 3HZ LYS 70 114.000 -1.776 -2.404
526 H LYS 71 H LYS 71 119.447 -4.777 1.197
527 HA LYS 71 HA LYS 71 118.107 -7.275 1.704
528 1HB LYS 71 1HB LYS 71 120.960 -6.367 1.481
529 2HB LYS 71 2HB LYS 71 120.583 -7.954 2.160
530 1HG LYS 71 1HG LYS 71 119.257 -8.404 0.079
531 2HG LYS 71 2HG LYS 71 119.935 -6.914 -0.581
532 1HD LYS 71 1HD LYS 71 121.596 -8.229 -1.332
533 2HD LYS 71 2HD LYS 71 122.166 -8.214 0.338
534 1HE LYS 71 1HE LYS 71 120.350 -10.276 -0.909
535 2HE LYS 71 2HE LYS 71 122.057 -10.491 -0.524
536 1HZ LYS 71 1HZ LYS 71 120.069 -9.783 1.549
537 2HZ LYS 71 2HZ LYS 71 121.617 -10.433 1.757
538 3HZ LYS 71 3HZ LYS 71 120.376 -11.392 1.123
539 H LYS 72 H LYS 72 119.641 -4.751 3.579
540 HA LYS 72 HA LYS 72 119.359 -6.318 6.019
541 1HB LYS 72 1HB LYS 72 120.636 -4.538 7.111
542 2HB LYS 72 2HB LYS 72 121.494 -5.156 5.708
543 1HG LYS 72 1HG LYS 72 121.792 -2.941 5.355
544 2HG LYS 72 2HG LYS 72 120.242 -3.137 4.529
545 1HD LYS 72 1HD LYS 72 119.354 -2.656 7.010
546 2HD LYS 72 2HD LYS 72 120.882 -1.775 7.077
547 1HE LYS 72 1HE LYS 72 119.263 -1.349 4.653
548 2HE LYS 72 2HE LYS 72 118.569 -0.731 6.151
549 1HZ LYS 72 1HZ LYS 72 121.382 -0.139 5.650
550 2HZ LYS 72 2HZ LYS 72 120.186 0.817 6.369
551 3HZ LYS 72 3HZ LYS 72 120.250 0.668 4.686
552 H ALA 73 H ALA 73 117.829 -3.948 4.175
553 HA ALA 73 HA ALA 73 116.348 -2.705 6.318
554 1HB ALA 73 1HB ALA 73 116.559 -2.398 3.373
555 2HB ALA 73 2HB ALA 73 116.671 -1.180 4.643
556 3HB ALA 73 3HB ALA 73 115.096 -1.815 4.165
557 H GLU 74 H GLU 74 116.185 -5.676 4.992
558 HA GLU 74 HA GLU 74 114.611 -7.309 5.063
559 1HB GLU 74 1HB GLU 74 112.704 -5.236 6.152
560 2HB GLU 74 2HB GLU 74 112.542 -6.980 6.264
561 1HG GLU 74 1HG GLU 74 114.495 -7.088 7.707
562 2HG GLU 74 2HG GLU 74 114.702 -5.342 7.570
563 H LEU 75 H LEU 75 114.844 -5.112 2.901
564 HA LEU 75 HA LEU 75 112.564 -6.081 1.397
565 1HB LEU 75 1HB LEU 75 112.681 -3.458 0.554
566 2HB LEU 75 2HB LEU 75 111.427 -4.186 1.549
567 HG LEU 75 HG LEU 75 113.423 -3.462 3.336
568 1HD1 LEU 75 1HD1 LEU 75 114.643 -2.055 1.949
569 2HD1 LEU 75 2HD1 LEU 75 113.527 -0.951 2.757
570 3HD1 LEU 75 3HD1 LEU 75 113.202 -1.484 1.102
571 1HD2 LEU 75 1HD2 LEU 75 111.344 -3.112 4.143
572 2HD2 LEU 75 2HD2 LEU 75 110.717 -2.566 2.587
573 3HD2 LEU 75 3HD2 LEU 75 111.659 -1.465 3.594
574 H PHE 76 H PHE 76 114.444 -7.322 0.576
575 HA PHE 76 HA PHE 76 115.492 -5.904 -1.783
576 1HB PHE 76 1HB PHE 76 117.478 -6.068 -0.570
577 2HB PHE 76 2HB PHE 76 117.046 -7.626 0.133
578 HD1 PHE 76 HD1 PHE 76 117.430 -9.678 -1.097
579 HD2 PHE 76 HD2 PHE 76 118.391 -5.896 -2.795
580 HE1 PHE 76 HE1 PHE 76 118.746 -10.801 -2.846
581 HE2 PHE 76 HE2 PHE 76 119.707 -7.012 -4.548
582 HZ PHE 76 HZ PHE 76 119.886 -9.468 -4.575
Start of MODEL 5
1 HT1 PRO 9 HT1 PRO 9 102.148 16.126 -6.582
2 HT2 PRO 9 HT2 PRO 9 103.304 15.741 -7.686
3 HA PRO 9 HA PRO 9 101.086 14.355 -6.806
4 1HB PRO 9 1HB PRO 9 101.306 13.497 -9.490
5 2HB PRO 9 2HB PRO 9 99.908 14.258 -8.720
6 1HG PRO 9 1HG PRO 9 102.067 15.482 -10.356
7 2HG PRO 9 2HG PRO 9 100.358 15.933 -10.226
8 1HD PRO 9 1HD PRO 9 102.240 17.411 -9.055
9 2HD PRO 9 2HD PRO 9 100.693 17.113 -8.239
10 H GLY 10 H GLY 10 101.637 12.138 -6.720
11 1HA GLY 10 1HA GLY 10 104.092 11.173 -7.868
12 2HA GLY 10 2HA GLY 10 104.219 11.460 -6.141
13 H LEU 11 H LEU 11 104.545 9.337 -5.656
14 HA LEU 11 HA LEU 11 102.376 7.474 -6.279
15 1HB LEU 11 1HB LEU 11 103.968 5.737 -5.551
16 2HB LEU 11 2HB LEU 11 104.512 6.658 -6.937
17 HG LEU 11 HG LEU 11 105.600 7.994 -4.744
18 1HD1 LEU 11 1HD1 LEU 11 104.920 5.795 -3.544
19 2HD1 LEU 11 2HD1 LEU 11 106.532 6.462 -3.292
20 3HD1 LEU 11 3HD1 LEU 11 106.301 5.111 -4.402
21 1HD2 LEU 11 1HD2 LEU 11 106.457 7.292 -7.110
22 2HD2 LEU 11 2HD2 LEU 11 107.141 5.924 -6.233
23 3HD2 LEU 11 3HD2 LEU 11 107.599 7.569 -5.793
24 H GLN 12 H GLN 12 101.812 5.904 -4.547
25 HA GLN 12 HA GLN 12 101.128 7.341 -2.159
26 1HB GLN 12 1HB GLN 12 100.302 4.896 -1.527
27 2HB GLN 12 2HB GLN 12 99.403 5.924 -2.630
28 1HG GLN 12 1HG GLN 12 101.451 4.117 -3.786
29 2HG GLN 12 2HG GLN 12 99.961 3.399 -3.179
30 1HE2 GLN 12 1HE2 GLN 12 101.349 4.331 -5.895
31 2HE2 GLN 12 2HE2 GLN 12 99.983 4.872 -6.803
32 H ILE 13 H ILE 13 102.038 7.267 -0.206
33 HA ILE 13 HA ILE 13 104.386 5.532 0.135
34 HB ILE 13 HB ILE 13 103.789 7.994 1.755
35 1HG1 ILE 13 1HG1 ILE 13 103.955 8.417 -0.772
36 2HG1 ILE 13 2HG1 ILE 13 105.037 9.334 0.272
37 1HG2 ILE 13 1HG2 ILE 13 105.398 6.460 2.714
38 2HG2 ILE 13 2HG2 ILE 13 106.210 7.927 2.166
39 3HG2 ILE 13 3HG2 ILE 13 106.318 6.450 1.207
40 1HD1 ILE 13 1HD1 ILE 13 106.228 8.574 -1.669
41 2HD1 ILE 13 2HD1 ILE 13 105.746 6.906 -1.355
42 3HD1 ILE 13 3HD1 ILE 13 106.837 7.734 -0.241
43 H TYR 14 H TYR 14 103.988 3.800 1.351
44 HA TYR 14 HA TYR 14 102.058 4.035 3.565
45 1HB TYR 14 1HB TYR 14 102.983 1.512 2.176
46 2HB TYR 14 2HB TYR 14 101.685 1.651 3.361
47 HD1 TYR 14 HD1 TYR 14 102.595 1.930 -0.123
48 HD2 TYR 14 HD2 TYR 14 99.587 2.865 2.738
49 HE1 TYR 14 HE1 TYR 14 100.980 2.282 -1.943
50 HE2 TYR 14 HE2 TYR 14 97.965 3.219 0.926
51 HH TYR 14 HH TYR 14 98.417 3.906 -1.840
52 HA PRO 15 HA PRO 15 104.930 3.174 6.794
53 1HB PRO 15 1HB PRO 15 103.622 0.525 7.234
54 2HB PRO 15 2HB PRO 15 103.982 1.811 8.397
55 1HG PRO 15 1HG PRO 15 101.499 1.451 7.524
56 2HG PRO 15 2HG PRO 15 102.149 3.085 7.754
57 1HD PRO 15 1HD PRO 15 101.706 1.556 5.230
58 2HD PRO 15 2HD PRO 15 101.519 3.296 5.545
59 H TYR 16 H TYR 16 106.603 1.560 7.557
60 HA TYR 16 HA TYR 16 107.858 0.392 5.240
61 1HB TYR 16 1HB TYR 16 109.346 1.588 6.585
62 2HB TYR 16 2HB TYR 16 108.678 0.931 8.075
63 HD1 TYR 16 HD1 TYR 16 109.629 -0.908 9.086
64 HD2 TYR 16 HD2 TYR 16 110.673 0.020 5.079
65 HE1 TYR 16 HE1 TYR 16 111.416 -2.604 9.170
66 HE2 TYR 16 HE2 TYR 16 112.463 -1.669 5.126
67 HH TYR 16 HH TYR 16 113.781 -2.846 7.737
68 H GLU 17 H GLU 17 107.055 -0.805 8.514
69 HA GLU 17 HA GLU 17 107.603 -3.491 8.128
70 1HB GLU 17 1HB GLU 17 106.752 -2.126 10.230
71 2HB GLU 17 2HB GLU 17 105.185 -2.738 9.719
72 1HG GLU 17 1HG GLU 17 106.708 -4.993 9.638
73 2HG GLU 17 2HG GLU 17 107.424 -4.117 10.994
74 H MET 18 H MET 18 104.919 -1.627 6.939
75 HA MET 18 HA MET 18 103.403 -3.988 6.178
76 1HB MET 18 1HB MET 18 102.943 -1.026 5.911
77 2HB MET 18 2HB MET 18 101.938 -2.184 5.050
78 1HG MET 18 1HG MET 18 102.337 -2.345 8.015
79 2HG MET 18 2HG MET 18 101.105 -1.306 7.294
80 1HE MET 18 1HE MET 18 98.404 -2.643 7.005
81 2HE MET 18 2HE MET 18 98.746 -3.529 5.519
82 3HE MET 18 3HE MET 18 99.455 -1.935 5.778
83 H LEU 19 H LEU 19 105.698 -1.788 4.847
84 HA LEU 19 HA LEU 19 105.179 -2.620 2.104
85 1HB LEU 19 1HB LEU 19 106.933 -0.549 3.378
86 2HB LEU 19 2HB LEU 19 107.127 -0.988 1.690
87 HG LEU 19 HG LEU 19 104.590 0.099 2.910
88 1HD1 LEU 19 1HD1 LEU 19 106.489 1.716 2.841
89 2HD1 LEU 19 2HD1 LEU 19 105.109 2.173 1.843
90 3HD1 LEU 19 3HD1 LEU 19 106.551 1.487 1.093
91 1HD2 LEU 19 1HD2 LEU 19 103.836 -1.046 1.099
92 2HD2 LEU 19 2HD2 LEU 19 105.365 -0.903 0.235
93 3HD2 LEU 19 3HD2 LEU 19 104.270 0.478 0.323
94 H VAL 20 H VAL 20 106.801 -3.946 4.613
95 HA VAL 20 HA VAL 20 109.354 -4.504 3.555
96 HB VAL 20 HB VAL 20 107.864 -6.321 5.445
97 1HG1 VAL 20 1HG1 VAL 20 110.305 -6.300 6.392
98 2HG1 VAL 20 2HG1 VAL 20 110.709 -5.822 4.743
99 3HG1 VAL 20 3HG1 VAL 20 109.875 -7.349 5.039
100 1HG2 VAL 20 1HG2 VAL 20 108.789 -4.915 7.256
101 2HG2 VAL 20 2HG2 VAL 20 107.574 -4.101 6.280
102 3HG2 VAL 20 3HG2 VAL 20 109.278 -3.736 6.041
103 H VAL 21 H VAL 21 110.078 -6.800 2.941
104 HA VAL 21 HA VAL 21 108.194 -7.724 0.896
105 HB VAL 21 HB VAL 21 111.132 -8.336 1.140
106 1HG1 VAL 21 1HG1 VAL 21 109.016 -9.081 -0.757
107 2HG1 VAL 21 2HG1 VAL 21 110.543 -9.881 -0.380
108 3HG1 VAL 21 3HG1 VAL 21 110.516 -8.508 -1.489
109 1HG2 VAL 21 1HG2 VAL 21 110.734 -5.921 0.943
110 2HG2 VAL 21 2HG2 VAL 21 109.769 -6.212 -0.507
111 3HG2 VAL 21 3HG2 VAL 21 111.492 -6.584 -0.509
112 H THR 22 H THR 22 110.732 -9.426 2.773
113 HA THR 22 HA THR 22 108.949 -11.761 2.808
114 HB THR 22 HB THR 22 111.944 -11.512 3.016
115 HG1 THR 22 HG1 THR 22 111.432 -11.577 0.935
116 1HG2 THR 22 1HG2 THR 22 112.035 -13.966 3.058
117 2HG2 THR 22 2HG2 THR 22 110.290 -14.010 3.306
118 3HG2 THR 22 3HG2 THR 22 111.336 -13.290 4.530
119 H ASN 23 H ASN 23 111.250 -10.073 4.897
120 HA ASN 23 HA ASN 23 111.082 -11.413 7.220
121 1HB ASN 23 1HB ASN 23 111.083 -8.414 6.874
122 2HB ASN 23 2HB ASN 23 111.466 -9.249 8.382
123 1HD2 ASN 23 1HD2 ASN 23 112.484 -8.672 5.080
124 2HD2 ASN 23 2HD2 ASN 23 114.131 -9.150 5.308
125 H LYS 24 H LYS 24 108.473 -9.547 5.846
126 HA LYS 24 HA LYS 24 106.911 -9.984 8.303
127 1HB LYS 24 1HB LYS 24 107.057 -7.763 6.399
128 2HB LYS 24 2HB LYS 24 105.411 -8.243 6.798
129 1HG LYS 24 1HG LYS 24 106.438 -6.419 8.214
130 2HG LYS 24 2HG LYS 24 105.710 -7.773 9.079
131 1HD LYS 24 1HD LYS 24 107.806 -7.214 10.123
132 2HD LYS 24 2HD LYS 24 107.975 -8.771 9.312
133 1HE LYS 24 1HE LYS 24 109.750 -7.958 8.256
134 2HE LYS 24 2HE LYS 24 108.680 -6.846 7.407
135 1HZ LYS 24 1HZ LYS 24 110.248 -6.362 9.867
136 2HZ LYS 24 2HZ LYS 24 108.949 -5.370 9.436
137 3HZ LYS 24 3HZ LYS 24 110.286 -5.504 8.409
138 H GLY 25 H GLY 25 107.388 -11.948 6.140
139 1HA GLY 25 1HA GLY 25 105.722 -13.691 5.767
140 2HA GLY 25 2HA GLY 25 104.552 -12.421 5.456
141 H ARG 26 H ARG 26 104.443 -11.471 3.455
142 HA ARG 26 HA ARG 26 106.323 -12.383 1.413
143 1HB ARG 26 1HB ARG 26 103.381 -12.341 0.813
144 2HB ARG 26 2HB ARG 26 104.673 -13.167 -0.032
145 1HG ARG 26 1HG ARG 26 103.835 -14.980 0.979
146 2HG ARG 26 2HG ARG 26 104.809 -14.421 2.339
147 1HD ARG 26 1HD ARG 26 102.937 -13.408 3.379
148 2HD ARG 26 2HD ARG 26 101.949 -13.582 1.930
149 HE ARG 26 HE ARG 26 102.404 -15.554 3.957
150 1HH1 ARG 26 1HH1 ARG 26 101.653 -15.085 0.581
151 2HH1 ARG 26 2HH1 ARG 26 100.862 -16.616 0.415
152 1HH2 ARG 26 1HH2 ARG 26 101.366 -17.570 3.741
153 2HH2 ARG 26 2HH2 ARG 26 100.699 -18.027 2.209
154 H THR 27 H THR 27 104.800 -11.160 -0.738
155 HA THR 27 HA THR 27 105.727 -8.530 -0.422
156 HB THR 27 HB THR 27 105.415 -9.705 -2.623
157 HG1 THR 27 HG1 THR 27 105.716 -7.720 -3.180
158 1HG2 THR 27 1HG2 THR 27 103.075 -10.476 -2.230
159 2HG2 THR 27 2HG2 THR 27 103.347 -9.658 -3.769
160 3HG2 THR 27 3HG2 THR 27 102.559 -8.803 -2.443
161 H LYS 28 H LYS 28 102.328 -9.636 -0.654
162 HA LYS 28 HA LYS 28 100.393 -8.574 -0.021
163 1HB LYS 28 1HB LYS 28 102.118 -8.362 2.438
164 2HB LYS 28 2HB LYS 28 100.357 -8.259 2.417
165 1HG LYS 28 1HG LYS 28 100.287 -10.449 2.698
166 2HG LYS 28 2HG LYS 28 101.015 -10.636 1.098
167 1HD LYS 28 1HD LYS 28 102.559 -11.740 2.365
168 2HD LYS 28 2HD LYS 28 103.230 -10.110 2.421
169 1HE LYS 28 1HE LYS 28 101.247 -10.819 4.505
170 2HE LYS 28 2HE LYS 28 102.820 -11.608 4.609
171 1HZ LYS 28 1HZ LYS 28 103.322 -9.744 5.743
172 2HZ LYS 28 2HZ LYS 28 102.116 -8.816 5.006
173 3HZ LYS 28 3HZ LYS 28 103.574 -9.101 4.198
174 H LEU 29 H LEU 29 102.476 -6.717 -1.153
175 HA LEU 29 HA LEU 29 102.610 -4.332 0.231
176 1HB LEU 29 1HB LEU 29 102.928 -5.220 -2.547
177 2HB LEU 29 2HB LEU 29 102.627 -3.513 -2.341
178 HG LEU 29 HG LEU 29 104.947 -3.765 -2.454
179 1HD1 LEU 29 1HD1 LEU 29 104.240 -2.237 -0.699
180 2HD1 LEU 29 2HD1 LEU 29 105.736 -3.051 -0.246
181 3HD1 LEU 29 3HD1 LEU 29 104.211 -3.561 0.463
182 1HD2 LEU 29 1HD2 LEU 29 105.872 -5.722 -2.034
183 2HD2 LEU 29 2HD2 LEU 29 104.425 -6.265 -1.187
184 3HD2 LEU 29 3HD2 LEU 29 105.687 -5.403 -0.309
185 HA PRO 30 HA PRO 30 98.587 -2.495 0.084
186 1HB PRO 30 1HB PRO 30 100.053 0.041 -0.391
187 2HB PRO 30 2HB PRO 30 98.911 -0.372 0.894
188 1HG PRO 30 1HG PRO 30 101.544 -0.170 1.366
189 2HG PRO 30 2HG PRO 30 100.533 -1.369 2.198
190 1HD PRO 30 1HD PRO 30 102.464 -1.746 -0.047
191 2HD PRO 30 2HD PRO 30 102.084 -2.821 1.310
192 HA PRO 31 HA PRO 31 97.602 -1.479 -4.116
193 1HB PRO 31 1HB PRO 31 96.667 1.257 -3.660
194 2HB PRO 31 2HB PRO 31 95.739 -0.187 -4.082
195 1HG PRO 31 1HG PRO 31 95.580 0.982 -1.649
196 2HG PRO 31 2HG PRO 31 95.392 -0.766 -1.883
197 1HD PRO 31 1HD PRO 31 97.777 0.773 -0.922
198 2HD PRO 31 2HD PRO 31 97.116 -0.767 -0.329
199 H GLY 32 H GLY 32 99.406 -1.313 -5.374
200 1HA GLY 32 1HA GLY 32 100.576 -0.005 -6.964
201 2HA GLY 32 2HA GLY 32 100.346 1.401 -5.942
202 H VAL 33 H VAL 33 101.733 -1.781 -5.107
203 HA VAL 33 HA VAL 33 104.353 -0.518 -4.820
204 HB VAL 33 HB VAL 33 104.006 -2.335 -2.655
205 1HG1 VAL 33 1HG1 VAL 33 105.380 -0.906 -1.665
206 2HG1 VAL 33 2HG1 VAL 33 104.358 0.482 -2.038
207 3HG1 VAL 33 3HG1 VAL 33 105.478 -0.144 -3.246
208 1HG2 VAL 33 1HG2 VAL 33 102.547 -0.376 -1.472
209 2HG2 VAL 33 2HG2 VAL 33 101.902 -1.916 -2.030
210 3HG2 VAL 33 3HG2 VAL 33 101.780 -0.486 -3.052
211 H ASP 34 H ASP 34 105.960 -1.687 -5.544
212 HA ASP 34 HA ASP 34 105.686 -4.598 -5.699
213 1HB ASP 34 1HB ASP 34 105.190 -3.173 -7.916
214 2HB ASP 34 2HB ASP 34 106.949 -3.251 -8.032
215 H ARG 35 H ARG 35 107.639 -5.729 -5.637
216 HA ARG 35 HA ARG 35 109.676 -4.664 -4.088
217 1HB ARG 35 1HB ARG 35 109.312 -7.112 -5.706
218 2HB ARG 35 2HB ARG 35 110.974 -6.686 -5.325
219 1HG ARG 35 1HG ARG 35 110.219 -8.175 -3.644
220 2HG ARG 35 2HG ARG 35 110.308 -6.566 -2.918
221 1HD ARG 35 1HD ARG 35 108.216 -6.892 -2.230
222 2HD ARG 35 2HD ARG 35 107.725 -6.709 -3.912
223 HE ARG 35 HE ARG 35 107.945 -9.187 -2.406
224 1HH1 ARG 35 1HH1 ARG 35 107.459 -7.670 -5.515
225 2HH1 ARG 35 2HH1 ARG 35 106.759 -9.081 -6.230
226 1HH2 ARG 35 1HH2 ARG 35 107.027 -11.038 -3.351
227 2HH2 ARG 35 2HH2 ARG 35 106.513 -10.991 -5.004
228 H MET 36 H MET 36 109.154 -4.343 -7.477
229 HA MET 36 HA MET 36 111.676 -4.043 -8.526
230 1HB MET 36 1HB MET 36 109.115 -3.604 -9.420
231 2HB MET 36 2HB MET 36 109.804 -1.987 -9.452
232 1HG MET 36 1HG MET 36 111.798 -3.339 -10.623
233 2HG MET 36 2HG MET 36 110.430 -4.352 -11.095
234 1HE MET 36 1HE MET 36 110.232 -3.389 -14.139
235 2HE MET 36 2HE MET 36 108.629 -2.862 -13.628
236 3HE MET 36 3HE MET 36 109.393 -4.248 -12.848
237 H ARG 37 H ARG 37 109.784 -1.638 -6.732
238 HA ARG 37 HA ARG 37 112.253 -0.191 -6.165
239 1HB ARG 37 1HB ARG 37 110.814 1.976 -6.594
240 2HB ARG 37 2HB ARG 37 111.700 1.205 -7.897
241 1HG ARG 37 1HG ARG 37 108.960 0.225 -7.509
242 2HG ARG 37 2HG ARG 37 109.095 1.910 -8.015
243 1HD ARG 37 1HD ARG 37 110.802 -0.014 -9.459
244 2HD ARG 37 2HD ARG 37 109.068 -0.176 -9.720
245 HE ARG 37 HE ARG 37 109.027 1.968 -10.678
246 1HH1 ARG 37 1HH1 ARG 37 112.260 1.016 -9.743
247 2HH1 ARG 37 2HH1 ARG 37 113.024 2.232 -10.709
248 1HH2 ARG 37 1HH2 ARG 37 110.039 3.559 -11.943
249 2HH2 ARG 37 2HH2 ARG 37 111.768 3.673 -11.954
250 H LEU 38 H LEU 38 110.851 -1.791 -4.419
251 HA LEU 38 HA LEU 38 108.882 -0.513 -2.917
252 1HB LEU 38 1HB LEU 38 110.739 -2.772 -2.498
253 2HB LEU 38 2HB LEU 38 110.070 -2.041 -1.044
254 HG LEU 38 HG LEU 38 108.433 -3.120 -3.342
255 1HD1 LEU 38 1HD1 LEU 38 107.867 -4.950 -1.872
256 2HD1 LEU 38 2HD1 LEU 38 108.884 -4.278 -0.597
257 3HD1 LEU 38 3HD1 LEU 38 109.616 -4.879 -2.084
258 1HD2 LEU 38 1HD2 LEU 38 107.482 -1.216 -2.001
259 2HD2 LEU 38 2HD2 LEU 38 107.511 -2.294 -0.607
260 3HD2 LEU 38 3HD2 LEU 38 106.531 -2.698 -2.015
261 H GLU 39 H GLU 39 112.341 -0.128 -2.928
262 HA GLU 39 HA GLU 39 112.422 1.348 -0.478
263 1HB GLU 39 1HB GLU 39 114.751 1.737 -0.974
264 2HB GLU 39 2HB GLU 39 114.365 0.051 -1.272
265 1HG GLU 39 1HG GLU 39 115.695 0.633 -3.058
266 2HG GLU 39 2HG GLU 39 114.064 0.758 -3.711
267 H ARG 40 H ARG 40 110.795 2.154 -3.012
268 HA ARG 40 HA ARG 40 111.707 4.953 -3.060
269 1HB ARG 40 1HB ARG 40 111.565 3.290 -5.194
270 2HB ARG 40 2HB ARG 40 109.954 3.988 -5.228
271 1HG ARG 40 1HG ARG 40 112.084 5.953 -4.859
272 2HG ARG 40 2HG ARG 40 112.174 5.070 -6.385
273 1HD ARG 40 1HD ARG 40 110.712 6.604 -7.120
274 2HD ARG 40 2HD ARG 40 109.517 5.649 -6.243
275 HE ARG 40 HE ARG 40 109.315 7.356 -4.737
276 1HH1 ARG 40 1HH1 ARG 40 112.256 7.816 -6.559
277 2HH1 ARG 40 2HH1 ARG 40 112.569 9.386 -5.896
278 1HH2 ARG 40 1HH2 ARG 40 109.724 9.420 -3.865
279 2HH2 ARG 40 2HH2 ARG 40 111.132 10.296 -4.366
280 H HIS 41 H HIS 41 109.263 2.743 -2.293
281 HA HIS 41 HA HIS 41 107.098 4.670 -2.323
282 1HB HIS 41 1HB HIS 41 107.352 1.730 -1.768
283 2HB HIS 41 2HB HIS 41 105.904 2.604 -1.300
284 HD1 HIS 41 HD1 HIS 41 104.621 3.834 -3.352
285 HD2 HIS 41 HD2 HIS 41 107.403 0.917 -4.357
286 HE1 HIS 41 HE1 HIS 41 104.117 3.212 -5.737
287 HE2 HIS 41 HE2 HIS 41 105.876 1.520 -6.354
288 H LEU 42 H LEU 42 109.624 4.088 -0.323
289 HA LEU 42 HA LEU 42 108.251 4.193 2.200
290 1HB LEU 42 1HB LEU 42 111.149 4.302 1.385
291 2HB LEU 42 2HB LEU 42 110.618 4.429 3.058
292 HG LEU 42 HG LEU 42 109.544 2.104 1.621
293 1HD1 LEU 42 1HD1 LEU 42 112.277 1.583 2.490
294 2HD1 LEU 42 2HD1 LEU 42 112.166 2.622 1.063
295 3HD1 LEU 42 3HD1 LEU 42 111.406 1.029 1.056
296 1HD2 LEU 42 1HD2 LEU 42 111.068 2.223 4.188
297 2HD2 LEU 42 2HD2 LEU 42 109.828 1.071 3.686
298 3HD2 LEU 42 3HD2 LEU 42 109.385 2.734 4.070
299 H SER 43 H SER 43 108.063 5.930 3.523
300 HA SER 43 HA SER 43 108.107 8.513 2.326
301 1HB SER 43 1HB SER 43 107.201 9.316 4.387
302 2HB SER 43 2HB SER 43 106.488 7.723 4.109
303 HG SER 43 HG SER 43 108.252 8.566 6.065
304 H ALA 44 H ALA 44 109.234 10.388 3.252
305 HA ALA 44 HA ALA 44 111.970 10.156 3.168
306 1HB ALA 44 1HB ALA 44 110.320 12.246 4.584
307 2HB ALA 44 2HB ALA 44 110.910 12.297 2.922
308 3HB ALA 44 3HB ALA 44 112.049 12.387 4.265
309 H GLU 45 H GLU 45 109.854 9.745 5.919
310 HA GLU 45 HA GLU 45 112.018 9.655 7.829
311 1HB GLU 45 1HB GLU 45 109.514 8.374 8.655
312 2HB GLU 45 2HB GLU 45 110.417 9.667 9.421
313 1HG GLU 45 1HG GLU 45 109.381 11.018 7.357
314 2HG GLU 45 2HG GLU 45 108.144 9.779 7.557
315 H ASP 46 H ASP 46 109.743 7.333 6.433
316 HA ASP 46 HA ASP 46 110.732 5.013 7.561
317 1HB ASP 46 1HB ASP 46 109.593 5.307 4.774
318 2HB ASP 46 2HB ASP 46 109.665 3.821 5.723
319 H PHE 47 H PHE 47 111.649 6.507 4.453
320 HA PHE 47 HA PHE 47 113.533 4.630 3.666
321 1HB PHE 47 1HB PHE 47 112.553 6.670 2.406
322 2HB PHE 47 2HB PHE 47 113.895 7.561 3.127
323 HD1 PHE 47 HD1 PHE 47 113.226 4.426 1.259
324 HD2 PHE 47 HD2 PHE 47 115.874 7.670 1.983
325 HE1 PHE 47 HE1 PHE 47 114.733 3.603 -0.523
326 HE2 PHE 47 HE2 PHE 47 117.375 6.859 0.209
327 HZ PHE 47 HZ PHE 47 116.802 4.826 -1.048
328 H SER 48 H SER 48 114.294 7.819 5.066
329 HA SER 48 HA SER 48 116.989 7.244 5.571
330 1HB SER 48 1HB SER 48 116.045 9.532 5.467
331 2HB SER 48 2HB SER 48 115.228 9.250 7.004
332 HG SER 48 HG SER 48 117.258 9.008 7.976
333 H ARG 49 H ARG 49 114.231 6.086 7.191
334 HA ARG 49 HA ARG 49 115.569 5.785 9.753
335 1HB ARG 49 1HB ARG 49 113.190 6.338 9.745
336 2HB ARG 49 2HB ARG 49 112.837 4.879 8.830
337 1HG ARG 49 1HG ARG 49 112.295 4.213 10.950
338 2HG ARG 49 2HG ARG 49 113.976 3.685 10.857
339 1HD ARG 49 1HD ARG 49 113.962 4.758 12.890
340 2HD ARG 49 2HD ARG 49 114.466 6.069 11.817
341 HE ARG 49 HE ARG 49 112.491 7.144 12.255
342 1HH1 ARG 49 1HH1 ARG 49 112.249 3.840 13.353
343 2HH1 ARG 49 2HH1 ARG 49 110.738 4.087 14.160
344 1HH2 ARG 49 1HH2 ARG 49 110.502 7.471 13.315
345 2HH2 ARG 49 2HH2 ARG 49 109.745 6.149 14.138
346 H VAL 50 H VAL 50 114.482 3.778 7.053
347 HA VAL 50 HA VAL 50 115.475 1.360 8.321
348 HB VAL 50 HB VAL 50 114.490 1.598 5.484
349 1HG1 VAL 50 1HG1 VAL 50 114.153 -0.710 5.572
350 2HG1 VAL 50 2HG1 VAL 50 114.263 -0.752 7.331
351 3HG1 VAL 50 3HG1 VAL 50 115.710 -0.461 6.364
352 1HG2 VAL 50 1HG2 VAL 50 112.655 0.700 7.636
353 2HG2 VAL 50 2HG2 VAL 50 112.301 1.467 6.087
354 3HG2 VAL 50 3HG2 VAL 50 112.909 2.432 7.434
355 H PHE 51 H PHE 51 116.410 3.611 5.812
356 HA PHE 51 HA PHE 51 118.720 1.941 5.129
357 1HB PHE 51 1HB PHE 51 117.462 4.302 3.737
358 2HB PHE 51 2HB PHE 51 118.948 3.522 3.203
359 HD1 PHE 51 HD1 PHE 51 115.899 3.837 2.123
360 HD2 PHE 51 HD2 PHE 51 118.338 0.690 3.591
361 HE1 PHE 51 HE1 PHE 51 114.570 2.211 0.822
362 HE2 PHE 51 HE2 PHE 51 117.027 -0.938 2.295
363 HZ PHE 51 HZ PHE 51 115.141 -0.177 0.911
364 H ALA 52 H ALA 52 117.889 5.195 6.233
365 HA ALA 52 HA ALA 52 119.123 6.534 7.663
366 1HB ALA 52 1HB ALA 52 121.650 5.103 6.941
367 2HB ALA 52 2HB ALA 52 120.532 4.459 8.143
368 3HB ALA 52 3HB ALA 52 121.277 6.039 8.389
369 H MET 53 H MET 53 119.360 6.136 4.366
370 HA MET 53 HA MET 53 120.936 8.628 4.136
371 1HB MET 53 1HB MET 53 122.103 7.859 2.377
372 2HB MET 53 2HB MET 53 121.681 6.279 3.032
373 1HG MET 53 1HG MET 53 120.157 7.726 0.881
374 2HG MET 53 2HG MET 53 121.326 6.433 0.614
375 1HE MET 53 1HE MET 53 119.716 3.299 1.635
376 2HE MET 53 2HE MET 53 121.205 4.234 1.702
377 3HE MET 53 3HE MET 53 120.370 4.022 0.164
378 H SER 54 H SER 54 120.444 9.738 1.990
379 HA SER 54 HA SER 54 117.667 10.457 2.043
380 1HB SER 54 1HB SER 54 120.107 11.389 0.552
381 2HB SER 54 2HB SER 54 118.499 11.956 0.078
382 HG SER 54 HG SER 54 118.441 13.187 1.787
383 HA PRO 55 HA PRO 55 116.052 7.854 -1.171
384 1HB PRO 55 1HB PRO 55 114.838 10.346 -2.256
385 2HB PRO 55 2HB PRO 55 114.068 8.809 -1.852
386 1HG PRO 55 1HG PRO 55 113.783 10.946 -0.276
387 2HG PRO 55 2HG PRO 55 113.937 9.314 0.404
388 1HD PRO 55 1HD PRO 55 115.943 11.518 0.288
389 2HD PRO 55 2HD PRO 55 115.693 10.278 1.537
390 H GLU 56 H GLU 56 117.730 10.821 -1.800
391 HA GLU 56 HA GLU 56 118.251 10.135 -4.577
392 1HB GLU 56 1HB GLU 56 117.888 12.408 -4.461
393 2HB GLU 56 2HB GLU 56 118.607 12.550 -2.861
394 1HG GLU 56 1HG GLU 56 119.969 13.696 -4.471
395 2HG GLU 56 2HG GLU 56 120.838 12.284 -3.862
396 H GLU 57 H GLU 57 119.599 9.499 -1.548
397 HA GLU 57 HA GLU 57 122.346 9.487 -2.411
398 1HB GLU 57 1HB GLU 57 120.905 9.115 0.141
399 2HB GLU 57 2HB GLU 57 122.300 8.064 -0.060
400 1HG GLU 57 1HG GLU 57 122.760 10.868 -0.769
401 2HG GLU 57 2HG GLU 57 122.389 10.573 0.929
402 H PHE 58 H PHE 58 119.845 7.085 -1.600
403 HA PHE 58 HA PHE 58 121.150 4.704 -1.933
404 1HB PHE 58 1HB PHE 58 118.584 5.398 -1.601
405 2HB PHE 58 2HB PHE 58 118.520 5.023 -3.321
406 HD1 PHE 58 HD1 PHE 58 118.204 3.739 -0.087
407 HD2 PHE 58 HD2 PHE 58 119.557 2.699 -3.980
408 HE1 PHE 58 HE1 PHE 58 117.932 1.355 0.463
409 HE2 PHE 58 HE2 PHE 58 119.287 0.313 -3.440
410 HZ PHE 58 HZ PHE 58 118.474 -0.365 -1.213
411 H GLY 59 H GLY 59 119.582 6.540 -4.574
412 1HA GLY 59 1HA GLY 59 120.446 4.874 -6.660
413 2HA GLY 59 2HA GLY 59 119.966 6.554 -6.838
414 H LYS 60 H LYS 60 122.148 7.291 -4.863
415 HA LYS 60 HA LYS 60 124.306 7.331 -6.846
416 1HB LYS 60 1HB LYS 60 123.666 9.096 -4.490
417 2HB LYS 60 2HB LYS 60 125.218 9.165 -5.320
418 1HG LYS 60 1HG LYS 60 123.202 9.296 -7.297
419 2HG LYS 60 2HG LYS 60 122.758 10.421 -6.008
420 1HD LYS 60 1HD LYS 60 124.578 11.752 -6.360
421 2HD LYS 60 2HD LYS 60 125.585 10.415 -6.918
422 1HE LYS 60 1HE LYS 60 124.802 10.544 -9.072
423 2HE LYS 60 2HE LYS 60 123.263 11.252 -8.583
424 1HZ LYS 60 1HZ LYS 60 125.793 12.545 -9.179
425 2HZ LYS 60 2HZ LYS 60 124.943 13.180 -7.862
426 3HZ LYS 60 3HZ LYS 60 124.211 13.111 -9.384
427 H LEU 61 H LEU 61 123.500 5.367 -4.420
428 HA LEU 61 HA LEU 61 125.963 5.304 -2.960
429 1HB LEU 61 1HB LEU 61 123.538 3.499 -3.012
430 2HB LEU 61 2HB LEU 61 124.887 3.280 -1.919
431 HG LEU 61 HG LEU 61 122.908 5.520 -1.955
432 1HD1 LEU 61 1HD1 LEU 61 122.565 4.832 0.358
433 2HD1 LEU 61 2HD1 LEU 61 123.747 3.542 0.139
434 3HD1 LEU 61 3HD1 LEU 61 122.242 3.524 -0.781
435 1HD2 LEU 61 1HD2 LEU 61 125.592 5.381 -0.621
436 2HD2 LEU 61 2HD2 LEU 61 124.284 6.388 0.000
437 3HD2 LEU 61 3HD2 LEU 61 124.926 6.675 -1.617
438 H ALA 62 H ALA 62 125.711 2.232 -3.031
439 HA ALA 62 HA ALA 62 127.051 1.799 -5.609
440 1HB ALA 62 1HB ALA 62 127.903 0.448 -3.063
441 2HB ALA 62 2HB ALA 62 128.625 1.948 -3.642
442 3HB ALA 62 3HB ALA 62 128.740 0.481 -4.614
443 H LEU 63 H LEU 63 127.406 -0.780 -5.775
444 HA LEU 63 HA LEU 63 124.727 -1.842 -5.898
445 1HB LEU 63 1HB LEU 63 126.583 -2.136 -7.628
446 2HB LEU 63 2HB LEU 63 127.266 -3.323 -6.531
447 HG LEU 63 HG LEU 63 124.452 -3.839 -7.030
448 1HD1 LEU 63 1HD1 LEU 63 124.910 -4.673 -9.387
449 2HD1 LEU 63 2HD1 LEU 63 126.303 -3.592 -9.380
450 3HD1 LEU 63 3HD1 LEU 63 124.676 -2.937 -9.181
451 1HD2 LEU 63 1HD2 LEU 63 126.560 -5.258 -6.197
452 2HD2 LEU 63 2HD2 LEU 63 126.587 -5.685 -7.909
453 3HD2 LEU 63 3HD2 LEU 63 125.141 -5.993 -6.946
454 H TRP 64 H TRP 64 127.479 -2.150 -3.829
455 HA TRP 64 HA TRP 64 126.535 -4.557 -2.549
456 1HB TRP 64 1HB TRP 64 128.529 -4.070 -1.065
457 2HB TRP 64 2HB TRP 64 128.915 -4.304 -2.777
458 HD1 TRP 64 HD1 TRP 64 130.017 -2.282 -4.024
459 HE1 TRP 64 HE1 TRP 64 130.721 0.083 -3.308
460 HE3 TRP 64 HE3 TRP 64 127.731 -2.170 0.417
461 HZ2 TRP 64 HZ2 TRP 64 130.329 1.778 -1.032
462 HZ3 TRP 64 HZ3 TRP 64 127.933 -0.140 1.838
463 HH2 TRP 64 HH2 TRP 64 129.193 1.785 1.112
464 H LYS 65 H LYS 65 126.610 -1.119 -2.188
465 HA LYS 65 HA LYS 65 125.685 -1.023 0.512
466 1HB LYS 65 1HB LYS 65 126.829 0.830 -0.961
467 2HB LYS 65 2HB LYS 65 125.174 1.189 -1.446
468 1HG LYS 65 1HG LYS 65 124.550 1.820 0.712
469 2HG LYS 65 2HG LYS 65 125.950 1.026 1.445
470 1HD LYS 65 1HD LYS 65 127.433 2.686 0.582
471 2HD LYS 65 2HD LYS 65 126.156 3.391 -0.416
472 1HE LYS 65 1HE LYS 65 126.743 4.622 1.727
473 2HE LYS 65 2HE LYS 65 125.031 4.267 1.458
474 1HZ LYS 65 1HZ LYS 65 126.036 3.799 3.753
475 2HZ LYS 65 2HZ LYS 65 126.722 2.431 3.034
476 3HZ LYS 65 3HZ LYS 65 125.041 2.617 3.063
477 H ARG 66 H ARG 66 124.028 -0.127 -2.529
478 HA ARG 66 HA ARG 66 121.451 0.096 -1.644
479 1HB ARG 66 1HB ARG 66 122.412 -1.176 -4.212
480 2HB ARG 66 2HB ARG 66 120.752 -0.685 -3.912
481 1HG ARG 66 1HG ARG 66 121.436 1.617 -3.692
482 2HG ARG 66 2HG ARG 66 123.127 1.150 -3.883
483 1HD ARG 66 1HD ARG 66 121.249 0.303 -6.011
484 2HD ARG 66 2HD ARG 66 121.615 2.030 -5.911
485 HE ARG 66 HE ARG 66 123.429 -0.109 -6.661
486 1HH1 ARG 66 1HH1 ARG 66 123.079 3.240 -5.729
487 2HH1 ARG 66 2HH1 ARG 66 124.598 3.714 -6.412
488 1HH2 ARG 66 1HH2 ARG 66 125.424 0.517 -7.553
489 2HH2 ARG 66 2HH2 ARG 66 125.929 2.170 -7.444
490 H ASN 67 H ASN 67 123.170 -2.834 -2.536
491 HA ASN 67 HA ASN 67 121.057 -4.656 -2.183
492 1HB ASN 67 1HB ASN 67 123.996 -4.807 -2.385
493 2HB ASN 67 2HB ASN 67 123.250 -6.134 -1.492
494 1HD2 ASN 67 1HD2 ASN 67 123.151 -4.366 -4.540
495 2HD2 ASN 67 2HD2 ASN 67 122.578 -5.687 -5.495
496 H GLU 68 H GLU 68 123.767 -4.074 0.057
497 HA GLU 68 HA GLU 68 122.833 -5.432 2.243
498 1HB GLU 68 1HB GLU 68 125.034 -3.985 1.769
499 2HB GLU 68 2HB GLU 68 124.168 -2.834 2.777
500 1HG GLU 68 1HG GLU 68 125.500 -4.029 4.265
501 2HG GLU 68 2HG GLU 68 123.898 -4.744 4.438
502 H LEU 69 H LEU 69 121.974 -2.171 1.190
503 HA LEU 69 HA LEU 69 120.537 -1.441 3.511
504 1HB LEU 69 1HB LEU 69 119.987 -0.509 0.702
505 2HB LEU 69 2HB LEU 69 119.585 0.314 2.194
506 HG LEU 69 HG LEU 69 122.410 -0.269 1.567
507 1HD1 LEU 69 1HD1 LEU 69 121.826 2.371 0.790
508 2HD1 LEU 69 2HD1 LEU 69 120.698 1.311 -0.051
509 3HD1 LEU 69 3HD1 LEU 69 122.436 1.052 -0.206
510 1HD2 LEU 69 1HD2 LEU 69 120.963 1.824 3.161
511 2HD2 LEU 69 2HD2 LEU 69 122.698 1.863 2.845
512 3HD2 LEU 69 3HD2 LEU 69 121.998 0.532 3.769
513 H LYS 70 H LYS 70 119.313 -2.369 0.327
514 HA LYS 70 HA LYS 70 116.647 -2.842 1.118
515 1HB LYS 70 1HB LYS 70 118.353 -3.527 -1.211
516 2HB LYS 70 2HB LYS 70 116.912 -4.510 -0.982
517 1HG LYS 70 1HG LYS 70 115.493 -2.597 -1.129
518 2HG LYS 70 2HG LYS 70 116.881 -1.504 -1.098
519 1HD LYS 70 1HD LYS 70 117.403 -1.888 -3.278
520 2HD LYS 70 2HD LYS 70 116.832 -3.558 -3.234
521 1HE LYS 70 1HE LYS 70 114.862 -1.328 -2.999
522 2HE LYS 70 2HE LYS 70 115.523 -1.731 -4.584
523 1HZ LYS 70 1HZ LYS 70 114.377 -3.643 -4.668
524 2HZ LYS 70 2HZ LYS 70 113.377 -2.906 -3.520
525 3HZ LYS 70 3HZ LYS 70 114.582 -3.984 -3.023
526 H LYS 71 H LYS 71 119.538 -4.630 1.552
527 HA LYS 71 HA LYS 71 118.226 -7.161 2.036
528 1HB LYS 71 1HB LYS 71 121.082 -6.202 2.049
529 2HB LYS 71 2HB LYS 71 120.651 -7.792 2.686
530 1HG LYS 71 1HG LYS 71 119.841 -8.507 0.574
531 2HG LYS 71 2HG LYS 71 119.919 -6.868 -0.078
532 1HD LYS 71 1HD LYS 71 121.909 -7.493 -0.902
533 2HD LYS 71 2HD LYS 71 122.496 -7.289 0.749
534 1HE LYS 71 1HE LYS 71 121.835 -9.710 1.125
535 2HE LYS 71 2HE LYS 71 121.639 -9.824 -0.623
536 1HZ LYS 71 1HZ LYS 71 124.063 -9.664 0.961
537 2HZ LYS 71 2HZ LYS 71 124.066 -8.741 -0.455
538 3HZ LYS 71 3HZ LYS 71 123.792 -10.408 -0.534
539 H LYS 72 H LYS 72 119.424 -4.459 3.851
540 HA LYS 72 HA LYS 72 119.118 -5.880 6.375
541 1HB LYS 72 1HB LYS 72 121.141 -4.526 6.124
542 2HB LYS 72 2HB LYS 72 120.164 -3.106 5.779
543 1HG LYS 72 1HG LYS 72 119.207 -4.024 8.218
544 2HG LYS 72 2HG LYS 72 120.958 -4.235 8.317
545 1HD LYS 72 1HD LYS 72 120.267 -2.029 9.131
546 2HD LYS 72 2HD LYS 72 121.288 -1.901 7.699
547 1HE LYS 72 1HE LYS 72 118.690 -2.053 6.708
548 2HE LYS 72 2HE LYS 72 118.569 -1.002 8.119
549 1HZ LYS 72 1HZ LYS 72 119.135 0.512 6.542
550 2HZ LYS 72 2HZ LYS 72 120.020 -0.591 5.613
551 3HZ LYS 72 3HZ LYS 72 120.692 0.057 7.024
552 H ALA 73 H ALA 73 117.589 -3.682 4.283
553 HA ALA 73 HA ALA 73 115.799 -2.511 6.211
554 1HB ALA 73 1HB ALA 73 116.245 -2.326 3.274
555 2HB ALA 73 2HB ALA 73 116.210 -1.045 4.487
556 3HB ALA 73 3HB ALA 73 114.703 -1.780 3.935
557 H GLU 74 H GLU 74 115.974 -5.551 5.119
558 HA GLU 74 HA GLU 74 114.518 -7.283 5.009
559 1HB GLU 74 1HB GLU 74 112.522 -5.275 6.072
560 2HB GLU 74 2HB GLU 74 112.285 -7.014 6.018
561 1HG GLU 74 1HG GLU 74 114.000 -7.379 7.623
562 2HG GLU 74 2HG GLU 74 114.517 -5.697 7.537
563 H LEU 75 H LEU 75 114.764 -5.103 2.868
564 HA LEU 75 HA LEU 75 112.604 -6.140 1.226
565 1HB LEU 75 1HB LEU 75 112.783 -3.541 0.325
566 2HB LEU 75 2HB LEU 75 111.467 -4.229 1.265
567 HG LEU 75 HG LEU 75 113.493 -3.414 3.059
568 1HD1 LEU 75 1HD1 LEU 75 113.305 -0.905 2.493
569 2HD1 LEU 75 2HD1 LEU 75 112.959 -1.467 0.852
570 3HD1 LEU 75 3HD1 LEU 75 114.490 -1.885 1.626
571 1HD2 LEU 75 1HD2 LEU 75 111.531 -1.604 3.384
572 2HD2 LEU 75 2HD2 LEU 75 111.449 -3.257 3.991
573 3HD2 LEU 75 3HD2 LEU 75 110.672 -2.840 2.463
574 H PHE 76 H PHE 76 114.629 -7.374 0.658
575 HA PHE 76 HA PHE 76 115.881 -6.015 -1.639
576 1HB PHE 76 1HB PHE 76 117.798 -6.198 -0.429
577 2HB PHE 76 2HB PHE 76 117.160 -7.489 0.587
578 HD1 PHE 76 HD1 PHE 76 118.938 -6.669 -2.495
579 HD2 PHE 76 HD2 PHE 76 117.405 -9.811 -0.069
580 HE1 PHE 76 HE1 PHE 76 120.286 -8.295 -3.757
581 HE2 PHE 76 HE2 PHE 76 118.751 -11.444 -1.325
582 HZ PHE 76 HZ PHE 76 120.195 -10.686 -3.171
Start of MODEL 6
1 HT1 PRO 9 HT1 PRO 9 100.831 14.355 -8.736
2 HT2 PRO 9 HT2 PRO 9 101.772 14.073 -7.416
3 HA PRO 9 HA PRO 9 102.207 13.374 -9.885
4 1HB PRO 9 1HB PRO 9 104.535 15.083 -9.525
5 2HB PRO 9 2HB PRO 9 103.492 14.895 -10.940
6 1HG PRO 9 1HG PRO 9 103.506 17.136 -9.409
7 2HG PRO 9 2HG PRO 9 102.071 16.567 -10.282
8 1HD PRO 9 1HD PRO 9 102.777 16.238 -7.380
9 2HD PRO 9 2HD PRO 9 101.223 16.683 -8.111
10 H GLY 10 H GLY 10 102.126 12.119 -7.530
11 1HA GLY 10 1HA GLY 10 104.860 11.122 -7.253
12 2HA GLY 10 2HA GLY 10 104.079 11.718 -5.798
13 H LEU 11 H LEU 11 104.558 9.498 -5.120
14 HA LEU 11 HA LEU 11 102.449 7.650 -6.007
15 1HB LEU 11 1HB LEU 11 103.972 5.843 -5.230
16 2HB LEU 11 2HB LEU 11 104.530 6.727 -6.636
17 HG LEU 11 HG LEU 11 105.695 8.069 -4.500
18 1HD1 LEU 11 1HD1 LEU 11 104.903 5.818 -3.314
19 2HD1 LEU 11 2HD1 LEU 11 106.418 6.626 -2.910
20 3HD1 LEU 11 3HD1 LEU 11 106.421 5.245 -4.007
21 1HD2 LEU 11 1HD2 LEU 11 107.144 5.874 -5.894
22 2HD2 LEU 11 2HD2 LEU 11 107.660 7.525 -5.546
23 3HD2 LEU 11 3HD2 LEU 11 106.501 7.216 -6.840
24 H GLN 12 H GLN 12 101.783 6.068 -4.332
25 HA GLN 12 HA GLN 12 101.104 7.466 -1.919
26 1HB GLN 12 1HB GLN 12 100.264 4.901 -1.462
27 2HB GLN 12 2HB GLN 12 99.311 6.154 -2.241
28 1HG GLN 12 1HG GLN 12 99.205 4.093 -3.495
29 2HG GLN 12 2HG GLN 12 100.032 5.334 -4.431
30 1HE2 GLN 12 1HE2 GLN 12 100.164 2.204 -3.228
31 2HE2 GLN 12 2HE2 GLN 12 101.816 1.856 -3.597
32 H ILE 13 H ILE 13 101.935 7.281 0.063
33 HA ILE 13 HA ILE 13 104.213 5.455 0.413
34 HB ILE 13 HB ILE 13 103.679 7.918 2.053
35 1HG1 ILE 13 1HG1 ILE 13 103.946 8.310 -0.498
36 2HG1 ILE 13 2HG1 ILE 13 104.945 9.246 0.608
37 1HG2 ILE 13 1HG2 ILE 13 106.167 6.300 1.546
38 2HG2 ILE 13 2HG2 ILE 13 105.202 6.300 3.023
39 3HG2 ILE 13 3HG2 ILE 13 106.072 7.756 2.539
40 1HD1 ILE 13 1HD1 ILE 13 105.807 6.806 -0.923
41 2HD1 ILE 13 2HD1 ILE 13 106.809 7.716 0.208
42 3HD1 ILE 13 3HD1 ILE 13 106.242 8.478 -1.279
43 H TYR 14 H TYR 14 104.153 3.952 1.989
44 HA TYR 14 HA TYR 14 102.055 4.157 4.047
45 1HB TYR 14 1HB TYR 14 102.952 1.524 2.888
46 2HB TYR 14 2HB TYR 14 101.511 1.870 3.837
47 HD1 TYR 14 HD1 TYR 14 103.051 2.914 0.589
48 HD2 TYR 14 HD2 TYR 14 99.507 1.922 2.724
49 HE1 TYR 14 HE1 TYR 14 101.750 3.145 -1.470
50 HE2 TYR 14 HE2 TYR 14 98.193 2.151 0.660
51 HH TYR 14 HH TYR 14 98.439 3.406 -1.548
52 HA PRO 15 HA PRO 15 104.897 3.187 7.289
53 1HB PRO 15 1HB PRO 15 103.712 0.462 7.585
54 2HB PRO 15 2HB PRO 15 104.006 1.701 8.814
55 1HG PRO 15 1HG PRO 15 101.547 1.272 7.908
56 2HG PRO 15 2HG PRO 15 102.118 2.922 8.221
57 1HD PRO 15 1HD PRO 15 101.766 1.494 5.622
58 2HD PRO 15 2HD PRO 15 101.485 3.205 6.018
59 H TYR 16 H TYR 16 106.639 1.601 7.968
60 HA TYR 16 HA TYR 16 107.945 0.633 5.585
61 1HB TYR 16 1HB TYR 16 109.438 1.758 6.946
62 2HB TYR 16 2HB TYR 16 108.736 1.113 8.427
63 HD1 TYR 16 HD1 TYR 16 110.838 0.207 5.503
64 HD2 TYR 16 HD2 TYR 16 109.640 -0.754 9.462
65 HE1 TYR 16 HE1 TYR 16 112.629 -1.476 5.609
66 HE2 TYR 16 HE2 TYR 16 111.428 -2.443 9.601
67 HH TYR 16 HH TYR 16 113.607 -2.895 8.536
68 H GLU 17 H GLU 17 107.299 -0.820 8.788
69 HA GLU 17 HA GLU 17 107.968 -3.417 8.332
70 1HB GLU 17 1HB GLU 17 105.916 -2.105 10.032
71 2HB GLU 17 2HB GLU 17 105.779 -3.846 9.826
72 1HG GLU 17 1HG GLU 17 108.065 -4.124 10.636
73 2HG GLU 17 2HG GLU 17 108.203 -2.376 10.842
74 H MET 18 H MET 18 104.756 -2.019 7.621
75 HA MET 18 HA MET 18 103.701 -4.385 6.485
76 1HB MET 18 1HB MET 18 102.863 -1.563 5.815
77 2HB MET 18 2HB MET 18 101.889 -3.022 5.702
78 1HG MET 18 1HG MET 18 102.159 -3.232 8.209
79 2HG MET 18 2HG MET 18 102.809 -1.589 8.174
80 1HE MET 18 1HE MET 18 99.652 -0.123 9.353
81 2HE MET 18 2HE MET 18 101.386 -0.392 9.521
82 3HE MET 18 3HE MET 18 100.246 -1.618 10.073
83 H LEU 19 H LEU 19 105.675 -1.817 5.254
84 HA LEU 19 HA LEU 19 105.341 -2.609 2.487
85 1HB LEU 19 1HB LEU 19 106.758 -0.419 3.931
86 2HB LEU 19 2HB LEU 19 107.196 -0.779 2.270
87 HG LEU 19 HG LEU 19 104.438 -0.007 3.224
88 1HD1 LEU 19 1HD1 LEU 19 106.112 1.670 1.425
89 2HD1 LEU 19 2HD1 LEU 19 106.430 1.705 3.159
90 3HD1 LEU 19 3HD1 LEU 19 104.835 2.141 2.546
91 1HD2 LEU 19 1HD2 LEU 19 104.070 -1.291 1.350
92 2HD2 LEU 19 2HD2 LEU 19 105.585 -0.804 0.589
93 3HD2 LEU 19 3HD2 LEU 19 104.230 0.325 0.662
94 H VAL 20 H VAL 20 106.948 -4.071 4.864
95 HA VAL 20 HA VAL 20 109.594 -4.231 3.803
96 HB VAL 20 HB VAL 20 108.257 -6.163 5.692
97 1HG1 VAL 20 1HG1 VAL 20 110.624 -6.407 6.501
98 2HG1 VAL 20 2HG1 VAL 20 111.116 -5.570 5.030
99 3HG1 VAL 20 3HG1 VAL 20 110.274 -7.119 4.923
100 1HG2 VAL 20 1HG2 VAL 20 108.906 -4.841 7.488
101 2HG2 VAL 20 2HG2 VAL 20 108.246 -3.692 6.326
102 3HG2 VAL 20 3HG2 VAL 20 109.989 -3.867 6.495
103 H VAL 21 H VAL 21 110.565 -6.339 3.031
104 HA VAL 21 HA VAL 21 108.745 -7.441 1.019
105 HB VAL 21 HB VAL 21 111.740 -7.713 1.069
106 1HG1 VAL 21 1HG1 VAL 21 109.579 -8.476 -0.767
107 2HG1 VAL 21 2HG1 VAL 21 111.196 -9.149 -0.572
108 3HG1 VAL 21 3HG1 VAL 21 110.961 -7.687 -1.529
109 1HG2 VAL 21 1HG2 VAL 21 110.343 -5.689 -0.613
110 2HG2 VAL 21 2HG2 VAL 21 112.009 -5.720 -0.050
111 3HG2 VAL 21 3HG2 VAL 21 110.712 -5.305 1.065
112 H THR 22 H THR 22 111.560 -8.812 2.762
113 HA THR 22 HA THR 22 110.387 -11.449 2.461
114 HB THR 22 HB THR 22 112.780 -10.981 1.959
115 HG1 THR 22 HG1 THR 22 113.316 -12.953 2.567
116 1HG2 THR 22 1HG2 THR 22 113.351 -9.492 3.780
117 2HG2 THR 22 2HG2 THR 22 114.385 -10.920 3.792
118 3HG2 THR 22 3HG2 THR 22 113.059 -10.782 4.946
119 H ASN 23 H ASN 23 109.997 -9.146 4.770
120 HA ASN 23 HA ASN 23 109.982 -11.102 6.960
121 1HB ASN 23 1HB ASN 23 109.848 -8.087 7.091
122 2HB ASN 23 2HB ASN 23 109.936 -9.181 8.473
123 1HD2 ASN 23 1HD2 ASN 23 111.661 -8.419 5.459
124 2HD2 ASN 23 2HD2 ASN 23 113.243 -8.649 6.110
125 H LYS 24 H LYS 24 107.873 -9.764 4.764
126 HA LYS 24 HA LYS 24 105.607 -10.072 6.623
127 1HB LYS 24 1HB LYS 24 105.534 -8.471 4.069
128 2HB LYS 24 2HB LYS 24 104.384 -8.438 5.402
129 1HG LYS 24 1HG LYS 24 107.215 -7.439 5.473
130 2HG LYS 24 2HG LYS 24 105.756 -6.450 5.408
131 1HD LYS 24 1HD LYS 24 105.339 -6.707 7.609
132 2HD LYS 24 2HD LYS 24 105.824 -8.402 7.601
133 1HE LYS 24 1HE LYS 24 108.217 -7.265 7.242
134 2HE LYS 24 2HE LYS 24 107.418 -5.970 8.129
135 1HZ LYS 24 1HZ LYS 24 107.261 -7.223 10.002
136 2HZ LYS 24 2HZ LYS 24 108.666 -7.908 9.355
137 3HZ LYS 24 3HZ LYS 24 107.179 -8.693 9.169
138 H GLY 25 H GLY 25 107.005 -12.130 5.006
139 1HA GLY 25 1HA GLY 25 105.862 -14.121 4.268
140 2HA GLY 25 2HA GLY 25 104.633 -13.092 3.547
141 H ARG 26 H ARG 26 105.058 -12.047 1.574
142 HA ARG 26 HA ARG 26 107.515 -12.865 0.186
143 1HB ARG 26 1HB ARG 26 105.964 -13.038 -1.911
144 2HB ARG 26 2HB ARG 26 106.109 -14.403 -0.816
145 1HG ARG 26 1HG ARG 26 103.867 -14.384 -0.954
146 2HG ARG 26 2HG ARG 26 104.016 -13.151 0.298
147 1HD ARG 26 1HD ARG 26 102.805 -11.870 -1.082
148 2HD ARG 26 2HD ARG 26 104.314 -11.681 -1.971
149 HE ARG 26 HE ARG 26 103.566 -13.275 -3.544
150 1HH1 ARG 26 1HH1 ARG 26 101.145 -12.537 -1.130
151 2HH1 ARG 26 2HH1 ARG 26 99.842 -13.173 -2.073
152 1HH2 ARG 26 1HH2 ARG 26 101.848 -14.110 -4.772
153 2HH2 ARG 26 2HH2 ARG 26 100.237 -14.066 -4.134
154 H THR 27 H THR 27 104.589 -10.888 -0.057
155 HA THR 27 HA THR 27 106.194 -8.552 -0.442
156 HB THR 27 HB THR 27 105.898 -9.447 -2.755
157 HG1 THR 27 HG1 THR 27 105.321 -7.461 -3.611
158 1HG2 THR 27 1HG2 THR 27 103.952 -9.868 -3.737
159 2HG2 THR 27 2HG2 THR 27 103.148 -8.498 -2.974
160 3HG2 THR 27 3HG2 THR 27 103.334 -10.014 -2.099
161 H LYS 28 H LYS 28 102.836 -9.707 -0.683
162 HA LYS 28 HA LYS 28 100.889 -8.816 0.107
163 1HB LYS 28 1HB LYS 28 102.856 -8.907 2.346
164 2HB LYS 28 2HB LYS 28 101.203 -8.380 2.633
165 1HG LYS 28 1HG LYS 28 101.181 -10.647 3.149
166 2HG LYS 28 2HG LYS 28 100.504 -10.567 1.521
167 1HD LYS 28 1HD LYS 28 102.830 -11.033 0.657
168 2HD LYS 28 2HD LYS 28 103.297 -11.362 2.322
169 1HE LYS 28 1HE LYS 28 100.891 -12.792 1.716
170 2HE LYS 28 2HE LYS 28 102.097 -13.127 0.476
171 1HZ LYS 28 1HZ LYS 28 102.126 -14.633 2.460
172 2HZ LYS 28 2HZ LYS 28 102.678 -13.322 3.375
173 3HZ LYS 28 3HZ LYS 28 103.609 -13.907 2.090
174 H LEU 29 H LEU 29 102.846 -6.775 -0.996
175 HA LEU 29 HA LEU 29 102.838 -4.434 0.484
176 1HB LEU 29 1HB LEU 29 103.158 -5.209 -2.334
177 2HB LEU 29 2HB LEU 29 102.736 -3.536 -2.063
178 HG LEU 29 HG LEU 29 105.076 -3.646 -2.256
179 1HD1 LEU 29 1HD1 LEU 29 104.366 -2.137 -0.528
180 2HD1 LEU 29 2HD1 LEU 29 105.855 -2.926 -0.017
181 3HD1 LEU 29 3HD1 LEU 29 104.316 -3.443 0.652
182 1HD2 LEU 29 1HD2 LEU 29 106.159 -5.516 -1.834
183 2HD2 LEU 29 2HD2 LEU 29 104.760 -6.173 -0.988
184 3HD2 LEU 29 3HD2 LEU 29 105.954 -5.222 -0.109
185 HA PRO 30 HA PRO 30 98.652 -2.948 0.426
186 1HB PRO 30 1HB PRO 30 99.269 -0.240 0.156
187 2HB PRO 30 2HB PRO 30 99.151 -1.113 1.687
188 1HG PRO 30 1HG PRO 30 101.561 -0.368 0.105
189 2HG PRO 30 2HG PRO 30 101.347 -0.445 1.864
190 1HD PRO 30 1HD PRO 30 102.680 -2.346 0.493
191 2HD PRO 30 2HD PRO 30 101.710 -2.726 1.932
192 HA PRO 31 HA PRO 31 97.499 -1.985 -3.736
193 1HB PRO 31 1HB PRO 31 96.387 0.684 -3.187
194 2HB PRO 31 2HB PRO 31 95.567 -0.791 -3.716
195 1HG PRO 31 1HG PRO 31 95.259 0.184 -1.230
196 2HG PRO 31 2HG PRO 31 95.271 -1.558 -1.559
197 1HD PRO 31 1HD PRO 31 97.457 0.182 -0.475
198 2HD PRO 31 2HD PRO 31 96.960 -1.448 0.032
199 H GLY 32 H GLY 32 99.256 -1.688 -5.035
200 1HA GLY 32 1HA GLY 32 100.272 -0.295 -6.659
201 2HA GLY 32 2HA GLY 32 99.975 1.089 -5.624
202 H VAL 33 H VAL 33 101.632 -1.978 -4.851
203 HA VAL 33 HA VAL 33 104.157 -0.514 -4.663
204 HB VAL 33 HB VAL 33 104.050 -2.327 -2.480
205 1HG1 VAL 33 1HG1 VAL 33 104.550 0.569 -2.888
206 2HG1 VAL 33 2HG1 VAL 33 105.668 -0.707 -2.404
207 3HG1 VAL 33 3HG1 VAL 33 104.473 -0.100 -1.259
208 1HG2 VAL 33 1HG2 VAL 33 101.537 -1.315 -2.839
209 2HG2 VAL 33 2HG2 VAL 33 102.259 -0.162 -1.721
210 3HG2 VAL 33 3HG2 VAL 33 102.211 -1.878 -1.315
211 H ASP 34 H ASP 34 105.828 -1.559 -5.431
212 HA ASP 34 HA ASP 34 105.767 -4.482 -5.595
213 1HB ASP 34 1HB ASP 34 105.015 -3.298 -7.774
214 2HB ASP 34 2HB ASP 34 106.713 -2.850 -7.940
215 H ARG 35 H ARG 35 107.806 -5.468 -5.613
216 HA ARG 35 HA ARG 35 109.800 -4.274 -4.107
217 1HB ARG 35 1HB ARG 35 109.669 -6.683 -5.854
218 2HB ARG 35 2HB ARG 35 111.251 -6.145 -5.306
219 1HG ARG 35 1HG ARG 35 110.376 -7.836 -3.822
220 2HG ARG 35 2HG ARG 35 110.484 -6.285 -2.981
221 1HD ARG 35 1HD ARG 35 108.396 -7.192 -2.371
222 2HD ARG 35 2HD ARG 35 108.041 -5.956 -3.577
223 HE ARG 35 HE ARG 35 107.153 -7.589 -4.888
224 1HH1 ARG 35 1HH1 ARG 35 109.369 -9.085 -2.646
225 2HH1 ARG 35 2HH1 ARG 35 109.004 -10.696 -3.164
226 1HH2 ARG 35 1HH2 ARG 35 106.672 -9.708 -5.573
227 2HH2 ARG 35 2HH2 ARG 35 107.474 -11.050 -4.827
228 H MET 36 H MET 36 109.149 -3.912 -7.467
229 HA MET 36 HA MET 36 111.579 -3.412 -8.619
230 1HB MET 36 1HB MET 36 109.012 -1.870 -9.030
231 2HB MET 36 2HB MET 36 110.397 -1.824 -10.112
232 1HG MET 36 1HG MET 36 108.856 -4.319 -9.442
233 2HG MET 36 2HG MET 36 108.556 -3.310 -10.860
234 1HE MET 36 1HE MET 36 111.719 -3.610 -12.939
235 2HE MET 36 2HE MET 36 110.505 -2.503 -12.297
236 3HE MET 36 3HE MET 36 110.011 -3.885 -13.275
237 H ARG 37 H ARG 37 109.690 -1.196 -6.596
238 HA ARG 37 HA ARG 37 112.118 0.324 -6.068
239 1HB ARG 37 1HB ARG 37 110.673 2.467 -6.365
240 2HB ARG 37 2HB ARG 37 111.399 1.714 -7.775
241 1HG ARG 37 1HG ARG 37 108.698 0.775 -7.088
242 2HG ARG 37 2HG ARG 37 108.818 2.454 -7.616
243 1HD ARG 37 1HD ARG 37 110.224 0.343 -9.179
244 2HD ARG 37 2HD ARG 37 108.477 0.507 -9.348
245 HE ARG 37 HE ARG 37 109.927 2.979 -9.634
246 1HH1 ARG 37 1HH1 ARG 37 108.704 0.155 -11.284
247 2HH1 ARG 37 2HH1 ARG 37 108.667 0.924 -12.835
248 1HH2 ARG 37 1HH2 ARG 37 109.879 3.989 -11.674
249 2HH2 ARG 37 2HH2 ARG 37 109.336 3.100 -13.058
250 H LEU 38 H LEU 38 110.761 -1.426 -4.376
251 HA LEU 38 HA LEU 38 108.843 -0.271 -2.730
252 1HB LEU 38 1HB LEU 38 110.759 -2.504 -2.510
253 2HB LEU 38 2HB LEU 38 110.146 -1.867 -0.988
254 HG LEU 38 HG LEU 38 108.414 -2.834 -3.266
255 1HD1 LEU 38 1HD1 LEU 38 108.972 -4.179 -0.631
256 2HD1 LEU 38 2HD1 LEU 38 109.735 -4.628 -2.156
257 3HD1 LEU 38 3HD1 LEU 38 107.990 -4.792 -1.960
258 1HD2 LEU 38 1HD2 LEU 38 106.583 -2.515 -1.837
259 2HD2 LEU 38 2HD2 LEU 38 107.537 -1.041 -1.709
260 3HD2 LEU 38 3HD2 LEU 38 107.615 -2.255 -0.433
261 H GLU 39 H GLU 39 112.360 -0.044 -2.628
262 HA GLU 39 HA GLU 39 112.499 1.375 -0.184
263 1HB GLU 39 1HB GLU 39 114.780 1.648 -0.617
264 2HB GLU 39 2HB GLU 39 114.377 0.127 -1.397
265 1HG GLU 39 1HG GLU 39 114.639 2.788 -2.779
266 2HG GLU 39 2HG GLU 39 115.852 1.509 -2.765
267 H ARG 40 H ARG 40 110.877 2.307 -2.791
268 HA ARG 40 HA ARG 40 111.663 5.132 -2.546
269 1HB ARG 40 1HB ARG 40 111.628 3.611 -4.818
270 2HB ARG 40 2HB ARG 40 110.037 4.356 -4.867
271 1HG ARG 40 1HG ARG 40 111.746 6.443 -4.229
272 2HG ARG 40 2HG ARG 40 112.634 5.495 -5.423
273 1HD ARG 40 1HD ARG 40 110.598 5.555 -6.868
274 2HD ARG 40 2HD ARG 40 109.873 6.669 -5.709
275 HE ARG 40 HE ARG 40 112.210 7.873 -6.317
276 1HH1 ARG 40 1HH1 ARG 40 109.636 6.574 -8.283
277 2HH1 ARG 40 2HH1 ARG 40 109.886 7.699 -9.576
278 1HH2 ARG 40 1HH2 ARG 40 112.541 9.353 -8.015
279 2HH2 ARG 40 2HH2 ARG 40 111.536 9.277 -9.424
280 H HIS 41 H HIS 41 109.327 2.813 -1.926
281 HA HIS 41 HA HIS 41 107.051 4.610 -1.998
282 1HB HIS 41 1HB HIS 41 107.485 1.687 -1.527
283 2HB HIS 41 2HB HIS 41 106.008 2.438 -0.950
284 HD1 HIS 41 HD1 HIS 41 104.708 3.859 -2.971
285 HD2 HIS 41 HD2 HIS 41 107.291 0.792 -4.060
286 HE1 HIS 41 HE1 HIS 41 104.075 3.250 -5.328
287 HE2 HIS 41 HE2 HIS 41 105.719 1.464 -5.999
288 H LEU 42 H LEU 42 109.567 4.094 0.051
289 HA LEU 42 HA LEU 42 108.147 4.154 2.548
290 1HB LEU 42 1HB LEU 42 111.054 4.340 1.781
291 2HB LEU 42 2HB LEU 42 110.491 4.424 3.446
292 HG LEU 42 HG LEU 42 109.462 2.103 2.001
293 1HD1 LEU 42 1HD1 LEU 42 112.180 1.493 2.733
294 2HD1 LEU 42 2HD1 LEU 42 112.122 2.716 1.455
295 3HD1 LEU 42 3HD1 LEU 42 111.312 1.166 1.230
296 1HD2 LEU 42 1HD2 LEU 42 109.971 1.016 4.033
297 2HD2 LEU 42 2HD2 LEU 42 109.326 2.607 4.433
298 3HD2 LEU 42 3HD2 LEU 42 111.063 2.312 4.523
299 H SER 43 H SER 43 107.937 5.877 3.902
300 HA SER 43 HA SER 43 107.909 8.468 2.724
301 1HB SER 43 1HB SER 43 107.603 8.982 5.376
302 2HB SER 43 2HB SER 43 106.289 8.461 4.316
303 HG SER 43 HG SER 43 107.768 6.976 6.190
304 H ALA 44 H ALA 44 109.056 10.343 3.493
305 HA ALA 44 HA ALA 44 111.790 10.137 3.446
306 1HB ALA 44 1HB ALA 44 110.546 12.246 3.158
307 2HB ALA 44 2HB ALA 44 111.889 12.409 4.291
308 3HB ALA 44 3HB ALA 44 110.238 12.281 4.895
309 H GLU 45 H GLU 45 109.661 9.733 6.165
310 HA GLU 45 HA GLU 45 111.772 9.785 8.135
311 1HB GLU 45 1HB GLU 45 109.320 8.391 8.921
312 2HB GLU 45 2HB GLU 45 110.114 9.764 9.666
313 1HG GLU 45 1HG GLU 45 109.077 11.020 7.578
314 2HG GLU 45 2HG GLU 45 107.936 9.679 7.668
315 H ASP 46 H ASP 46 109.678 7.352 6.670
316 HA ASP 46 HA ASP 46 110.718 5.079 7.863
317 1HB ASP 46 1HB ASP 46 109.150 5.679 5.444
318 2HB ASP 46 2HB ASP 46 110.050 4.163 5.382
319 H PHE 47 H PHE 47 111.619 6.467 4.689
320 HA PHE 47 HA PHE 47 113.647 4.690 4.067
321 1HB PHE 47 1HB PHE 47 112.592 6.632 2.691
322 2HB PHE 47 2HB PHE 47 113.897 7.598 3.385
323 HD1 PHE 47 HD1 PHE 47 113.280 4.427 1.561
324 HD2 PHE 47 HD2 PHE 47 115.955 7.636 2.358
325 HE1 PHE 47 HE1 PHE 47 114.832 3.574 -0.167
326 HE2 PHE 47 HE2 PHE 47 117.503 6.792 0.640
327 HZ PHE 47 HZ PHE 47 116.934 4.762 -0.628
328 H SER 48 H SER 48 114.086 7.940 5.466
329 HA SER 48 HA SER 48 116.813 7.636 6.017
330 1HB SER 48 1HB SER 48 116.613 9.631 7.364
331 2HB SER 48 2HB SER 48 115.578 9.811 5.948
332 HG SER 48 HG SER 48 114.897 9.944 8.512
333 H ARG 49 H ARG 49 114.119 6.237 7.563
334 HA ARG 49 HA ARG 49 115.472 5.925 10.119
335 1HB ARG 49 1HB ARG 49 113.071 6.411 10.113
336 2HB ARG 49 2HB ARG 49 112.769 4.945 9.189
337 1HG ARG 49 1HG ARG 49 112.417 3.963 11.151
338 2HG ARG 49 2HG ARG 49 114.167 4.019 11.366
339 1HD ARG 49 1HD ARG 49 113.525 6.496 12.187
340 2HD ARG 49 2HD ARG 49 112.040 5.643 12.620
341 HE ARG 49 HE ARG 49 113.186 4.552 14.280
342 1HH1 ARG 49 1HH1 ARG 49 115.474 6.090 12.140
343 2HH1 ARG 49 2HH1 ARG 49 116.834 5.776 13.165
344 1HH2 ARG 49 1HH2 ARG 49 114.974 4.139 15.629
345 2HH2 ARG 49 2HH2 ARG 49 116.550 4.669 15.146
346 H VAL 50 H VAL 50 114.642 4.038 7.275
347 HA VAL 50 HA VAL 50 115.606 1.587 8.530
348 HB VAL 50 HB VAL 50 114.729 1.824 5.663
349 1HG1 VAL 50 1HG1 VAL 50 114.442 -0.497 7.548
350 2HG1 VAL 50 2HG1 VAL 50 115.902 -0.224 6.596
351 3HG1 VAL 50 3HG1 VAL 50 114.356 -0.492 5.786
352 1HG2 VAL 50 1HG2 VAL 50 113.067 2.599 7.658
353 2HG2 VAL 50 2HG2 VAL 50 112.737 0.870 7.601
354 3HG2 VAL 50 3HG2 VAL 50 112.535 1.853 6.151
355 H PHE 51 H PHE 51 116.501 3.830 5.948
356 HA PHE 51 HA PHE 51 118.959 2.285 5.498
357 1HB PHE 51 1HB PHE 51 117.748 4.506 3.841
358 2HB PHE 51 2HB PHE 51 119.189 3.581 3.426
359 HD1 PHE 51 HD1 PHE 51 115.886 3.947 2.674
360 HD2 PHE 51 HD2 PHE 51 118.685 0.891 3.612
361 HE1 PHE 51 HE1 PHE 51 114.491 2.311 1.474
362 HE2 PHE 51 HE2 PHE 51 117.293 -0.754 2.410
363 HZ PHE 51 HZ PHE 51 115.204 -0.033 1.336
364 H ALA 52 H ALA 52 117.803 5.487 6.423
365 HA ALA 52 HA ALA 52 118.854 7.144 7.619
366 1HB ALA 52 1HB ALA 52 121.476 5.746 7.500
367 2HB ALA 52 2HB ALA 52 120.198 5.098 8.528
368 3HB ALA 52 3HB ALA 52 120.795 6.739 8.789
369 H MET 53 H MET 53 119.008 6.575 4.615
370 HA MET 53 HA MET 53 120.925 8.707 3.970
371 1HB MET 53 1HB MET 53 120.944 7.174 1.721
372 2HB MET 53 2HB MET 53 122.175 7.137 2.979
373 1HG MET 53 1HG MET 53 121.462 5.147 3.824
374 2HG MET 53 2HG MET 53 119.790 5.408 3.324
375 1HE MET 53 1HE MET 53 119.229 5.725 0.828
376 2HE MET 53 2HE MET 53 119.927 4.739 -0.457
377 3HE MET 53 3HE MET 53 120.722 6.229 0.033
378 H SER 54 H SER 54 120.472 9.785 1.944
379 HA SER 54 HA SER 54 117.736 10.521 1.792
380 1HB SER 54 1HB SER 54 119.471 12.158 1.379
381 2HB SER 54 2HB SER 54 120.105 11.197 0.036
382 HG SER 54 HG SER 54 117.634 12.581 0.189
383 HA PRO 55 HA PRO 55 116.042 7.585 -1.083
384 1HB PRO 55 1HB PRO 55 114.779 10.026 -2.255
385 2HB PRO 55 2HB PRO 55 114.037 8.490 -1.796
386 1HG PRO 55 1HG PRO 55 113.759 10.659 -0.266
387 2HG PRO 55 2HG PRO 55 113.953 9.046 0.451
388 1HD PRO 55 1HD PRO 55 115.903 11.287 0.270
389 2HD PRO 55 2HD PRO 55 115.735 10.028 1.512
390 H GLU 56 H GLU 56 117.530 10.597 -2.055
391 HA GLU 56 HA GLU 56 117.947 9.780 -4.786
392 1HB GLU 56 1HB GLU 56 119.036 11.875 -5.083
393 2HB GLU 56 2HB GLU 56 117.675 12.177 -4.009
394 1HG GLU 56 1HG GLU 56 119.529 11.745 -2.162
395 2HG GLU 56 2HG GLU 56 120.584 12.287 -3.471
396 H GLU 57 H GLU 57 119.706 9.810 -1.763
397 HA GLU 57 HA GLU 57 122.287 9.331 -2.671
398 1HB GLU 57 1HB GLU 57 120.851 8.659 -0.102
399 2HB GLU 57 2HB GLU 57 122.449 7.990 -0.408
400 1HG GLU 57 1HG GLU 57 122.139 10.885 -0.854
401 2HG GLU 57 2HG GLU 57 122.040 10.321 0.812
402 H PHE 58 H PHE 58 119.790 6.940 -1.777
403 HA PHE 58 HA PHE 58 121.038 4.555 -2.234
404 1HB PHE 58 1HB PHE 58 118.477 5.288 -1.793
405 2HB PHE 58 2HB PHE 58 118.352 4.853 -3.494
406 HD1 PHE 58 HD1 PHE 58 118.435 3.655 -0.128
407 HD2 PHE 58 HD2 PHE 58 119.078 2.511 -4.177
408 HE1 PHE 58 HE1 PHE 58 118.172 1.299 0.506
409 HE2 PHE 58 HE2 PHE 58 118.812 0.147 -3.549
410 HZ PHE 58 HZ PHE 58 118.358 -0.465 -1.205
411 H GLY 59 H GLY 59 119.136 6.168 -4.798
412 1HA GLY 59 1HA GLY 59 119.963 4.593 -6.915
413 2HA GLY 59 2HA GLY 59 119.443 6.263 -7.071
414 H LYS 60 H LYS 60 121.748 7.065 -5.270
415 HA LYS 60 HA LYS 60 123.747 7.129 -7.408
416 1HB LYS 60 1HB LYS 60 123.473 8.833 -4.926
417 2HB LYS 60 2HB LYS 60 124.726 9.021 -6.151
418 1HG LYS 60 1HG LYS 60 122.748 9.287 -7.793
419 2HG LYS 60 2HG LYS 60 121.800 9.605 -6.335
420 1HD LYS 60 1HD LYS 60 123.177 11.471 -5.764
421 2HD LYS 60 2HD LYS 60 124.338 11.074 -7.032
422 1HE LYS 60 1HE LYS 60 122.145 11.314 -8.533
423 2HE LYS 60 2HE LYS 60 121.690 12.392 -7.215
424 1HZ LYS 60 1HZ LYS 60 122.797 13.632 -8.925
425 2HZ LYS 60 2HZ LYS 60 124.131 12.591 -8.893
426 3HZ LYS 60 3HZ LYS 60 123.799 13.580 -7.561
427 H LEU 61 H LEU 61 123.153 5.212 -4.834
428 HA LEU 61 HA LEU 61 125.766 5.142 -3.669
429 1HB LEU 61 1HB LEU 61 123.330 3.374 -3.394
430 2HB LEU 61 2HB LEU 61 124.788 3.175 -2.448
431 HG LEU 61 HG LEU 61 122.794 5.388 -2.318
432 1HD1 LEU 61 1HD1 LEU 61 123.758 3.204 -0.596
433 2HD1 LEU 61 2HD1 LEU 61 122.138 3.871 -0.793
434 3HD1 LEU 61 3HD1 LEU 61 123.332 4.724 0.188
435 1HD2 LEU 61 1HD2 LEU 61 124.336 6.518 -0.736
436 2HD2 LEU 61 2HD2 LEU 61 124.920 6.518 -2.400
437 3HD2 LEU 61 3HD2 LEU 61 125.602 5.392 -1.226
438 H ALA 62 H ALA 62 125.454 2.077 -3.605
439 HA ALA 62 HA ALA 62 126.489 1.528 -6.298
440 1HB ALA 62 1HB ALA 62 127.590 0.241 -3.819
441 2HB ALA 62 2HB ALA 62 128.269 1.711 -4.512
442 3HB ALA 62 3HB ALA 62 128.256 0.218 -5.450
443 H LEU 63 H LEU 63 126.584 -0.902 -6.719
444 HA LEU 63 HA LEU 63 123.960 -1.952 -6.396
445 1HB LEU 63 1HB LEU 63 125.593 -2.298 -8.327
446 2HB LEU 63 2HB LEU 63 126.359 -3.507 -7.315
447 HG LEU 63 HG LEU 63 123.505 -3.950 -7.452
448 1HD1 LEU 63 1HD1 LEU 63 124.961 -3.466 -9.995
449 2HD1 LEU 63 2HD1 LEU 63 123.272 -3.168 -9.579
450 3HD1 LEU 63 3HD1 LEU 63 123.821 -4.809 -9.923
451 1HD2 LEU 63 1HD2 LEU 63 125.667 -5.429 -6.942
452 2HD2 LEU 63 2HD2 LEU 63 125.462 -5.815 -8.651
453 3HD2 LEU 63 3HD2 LEU 63 124.149 -6.122 -7.516
454 H TRP 64 H TRP 64 126.941 -2.372 -4.659
455 HA TRP 64 HA TRP 64 126.046 -4.754 -3.302
456 1HB TRP 64 1HB TRP 64 128.204 -4.369 -2.035
457 2HB TRP 64 2HB TRP 64 128.395 -4.588 -3.780
458 HD1 TRP 64 HD1 TRP 64 129.445 -2.595 -5.109
459 HE1 TRP 64 HE1 TRP 64 130.322 -0.276 -4.445
460 HE3 TRP 64 HE3 TRP 64 127.648 -2.464 -0.453
461 HZ2 TRP 64 HZ2 TRP 64 130.246 1.399 -2.118
462 HZ3 TRP 64 HZ3 TRP 64 128.085 -0.469 0.966
463 HH2 TRP 64 HH2 TRP 64 129.344 1.416 0.135
464 H LYS 65 H LYS 65 126.331 -1.325 -2.866
465 HA LYS 65 HA LYS 65 125.661 -1.299 -0.088
466 1HB LYS 65 1HB LYS 65 126.775 0.565 -1.524
467 2HB LYS 65 2HB LYS 65 125.120 1.005 -1.941
468 1HG LYS 65 1HG LYS 65 124.604 1.640 0.224
469 2HG LYS 65 2HG LYS 65 125.928 0.700 0.922
470 1HD LYS 65 1HD LYS 65 127.537 2.267 0.281
471 2HD LYS 65 2HD LYS 65 126.467 3.013 -0.912
472 1HE LYS 65 1HE LYS 65 126.893 4.283 1.273
473 2HE LYS 65 2HE LYS 65 125.220 4.120 0.725
474 1HZ LYS 65 1HZ LYS 65 124.690 2.811 2.460
475 2HZ LYS 65 2HZ LYS 65 126.021 3.551 3.196
476 3HZ LYS 65 3HZ LYS 65 126.188 2.023 2.489
477 H ARG 66 H ARG 66 123.785 -0.272 -2.957
478 HA ARG 66 HA ARG 66 121.309 0.061 -1.844
479 1HB ARG 66 1HB ARG 66 122.010 -1.198 -4.499
480 2HB ARG 66 2HB ARG 66 120.388 -0.688 -4.054
481 1HG ARG 66 1HG ARG 66 121.245 1.606 -3.740
482 2HG ARG 66 2HG ARG 66 122.816 1.053 -4.320
483 1HD ARG 66 1HD ARG 66 120.593 0.347 -6.083
484 2HD ARG 66 2HD ARG 66 120.815 2.090 -5.876
485 HE ARG 66 HE ARG 66 123.267 0.725 -6.432
486 1HH1 ARG 66 1HH1 ARG 66 120.403 2.088 -7.888
487 2HH1 ARG 66 2HH1 ARG 66 121.161 2.362 -9.422
488 1HH2 ARG 66 1HH2 ARG 66 124.265 1.084 -8.448
489 2HH2 ARG 66 2HH2 ARG 66 123.354 1.791 -9.739
490 H ASN 67 H ASN 67 122.840 -2.924 -2.860
491 HA ASN 67 HA ASN 67 120.702 -4.680 -2.321
492 1HB ASN 67 1HB ASN 67 123.624 -4.928 -2.730
493 2HB ASN 67 2HB ASN 67 122.881 -6.232 -1.803
494 1HD2 ASN 67 1HD2 ASN 67 122.368 -4.344 -4.762
495 2HD2 ASN 67 2HD2 ASN 67 121.810 -5.674 -5.716
496 H GLU 68 H GLU 68 123.631 -4.230 -0.354
497 HA GLU 68 HA GLU 68 122.866 -5.487 1.940
498 1HB GLU 68 1HB GLU 68 124.898 -3.623 1.174
499 2HB GLU 68 2HB GLU 68 124.278 -3.168 2.756
500 1HG GLU 68 1HG GLU 68 125.951 -4.599 3.348
501 2HG GLU 68 2HG GLU 68 124.585 -5.711 3.275
502 H LEU 69 H LEU 69 122.032 -2.195 0.936
503 HA LEU 69 HA LEU 69 120.852 -1.399 3.373
504 1HB LEU 69 1HB LEU 69 120.051 -0.474 0.622
505 2HB LEU 69 2HB LEU 69 119.818 0.374 2.139
506 HG LEU 69 HG LEU 69 122.555 -0.306 1.272
507 1HD1 LEU 69 1HD1 LEU 69 122.482 0.974 -0.529
508 2HD1 LEU 69 2HD1 LEU 69 121.980 2.333 0.470
509 3HD1 LEU 69 3HD1 LEU 69 120.770 1.278 -0.252
510 1HD2 LEU 69 1HD2 LEU 69 121.260 1.384 3.258
511 2HD2 LEU 69 2HD2 LEU 69 122.546 2.200 2.366
512 3HD2 LEU 69 3HD2 LEU 69 122.887 0.704 3.238
513 H LYS 70 H LYS 70 119.279 -2.339 0.345
514 HA LYS 70 HA LYS 70 116.699 -2.702 1.419
515 1HB LYS 70 1HB LYS 70 118.105 -3.423 -1.068
516 2HB LYS 70 2HB LYS 70 116.758 -4.474 -0.654
517 1HG LYS 70 1HG LYS 70 115.215 -2.697 -0.711
518 2HG LYS 70 2HG LYS 70 116.502 -1.485 -0.737
519 1HD LYS 70 1HD LYS 70 115.721 -1.588 -2.952
520 2HD LYS 70 2HD LYS 70 117.211 -2.534 -2.953
521 1HE LYS 70 1HE LYS 70 115.568 -4.521 -2.452
522 2HE LYS 70 2HE LYS 70 114.377 -3.439 -3.173
523 1HZ LYS 70 1HZ LYS 70 116.614 -4.831 -4.413
524 2HZ LYS 70 2HZ LYS 70 116.303 -3.267 -4.975
525 3HZ LYS 70 3HZ LYS 70 115.093 -4.446 -5.046
526 H LYS 71 H LYS 71 119.550 -4.593 1.592
527 HA LYS 71 HA LYS 71 118.195 -7.036 2.338
528 1HB LYS 71 1HB LYS 71 121.060 -6.207 1.937
529 2HB LYS 71 2HB LYS 71 120.673 -7.723 2.757
530 1HG LYS 71 1HG LYS 71 119.237 -8.263 0.741
531 2HG LYS 71 2HG LYS 71 120.028 -6.901 -0.053
532 1HD LYS 71 1HD LYS 71 121.394 -9.338 1.099
533 2HD LYS 71 2HD LYS 71 121.140 -9.001 -0.614
534 1HE LYS 71 1HE LYS 71 123.068 -7.901 -0.655
535 2HE LYS 71 2HE LYS 71 122.406 -6.735 0.488
536 1HZ LYS 71 1HZ LYS 71 123.620 -9.292 1.355
537 2HZ LYS 71 2HZ LYS 71 123.275 -7.929 2.296
538 3HZ LYS 71 3HZ LYS 71 124.527 -7.878 1.161
539 H LYS 72 H LYS 72 119.661 -4.300 3.864
540 HA LYS 72 HA LYS 72 119.630 -5.582 6.477
541 1HB LYS 72 1HB LYS 72 121.619 -4.281 5.977
542 2HB LYS 72 2HB LYS 72 120.639 -2.878 5.578
543 1HG LYS 72 1HG LYS 72 120.039 -3.798 8.237
544 2HG LYS 72 2HG LYS 72 121.774 -3.518 8.047
545 1HD LYS 72 1HD LYS 72 121.260 -1.376 8.494
546 2HD LYS 72 2HD LYS 72 120.726 -1.325 6.813
547 1HE LYS 72 1HE LYS 72 119.065 -0.409 8.414
548 2HE LYS 72 2HE LYS 72 118.455 -1.762 7.462
549 1HZ LYS 72 1HZ LYS 72 118.321 -3.092 9.267
550 2HZ LYS 72 2HZ LYS 72 118.163 -1.615 10.077
551 3HZ LYS 72 3HZ LYS 72 119.660 -2.401 10.037
552 H ALA 73 H ALA 73 117.837 -3.564 4.439
553 HA ALA 73 HA ALA 73 116.261 -2.298 6.512
554 1HB ALA 73 1HB ALA 73 116.509 -2.116 3.563
555 2HB ALA 73 2HB ALA 73 116.430 -0.832 4.769
556 3HB ALA 73 3HB ALA 73 114.958 -1.670 4.272
557 H GLU 74 H GLU 74 116.381 -5.347 5.508
558 HA GLU 74 HA GLU 74 114.965 -7.113 5.576
559 1HB GLU 74 1HB GLU 74 113.352 -5.004 6.944
560 2HB GLU 74 2HB GLU 74 112.573 -6.511 6.507
561 1HG GLU 74 1HG GLU 74 113.316 -7.336 8.420
562 2HG GLU 74 2HG GLU 74 114.935 -7.296 7.722
563 H LEU 75 H LEU 75 114.869 -4.823 3.396
564 HA LEU 75 HA LEU 75 112.602 -6.014 1.993
565 1HB LEU 75 1HB LEU 75 112.844 -3.517 0.840
566 2HB LEU 75 2HB LEU 75 111.573 -4.059 1.924
567 HG LEU 75 HG LEU 75 113.742 -3.180 3.504
568 1HD1 LEU 75 1HD1 LEU 75 113.170 -1.447 1.134
569 2HD1 LEU 75 2HD1 LEU 75 114.722 -1.855 1.873
570 3HD1 LEU 75 3HD1 LEU 75 113.625 -0.735 2.687
571 1HD2 LEU 75 1HD2 LEU 75 111.725 -2.860 4.490
572 2HD2 LEU 75 2HD2 LEU 75 110.923 -2.478 2.965
573 3HD2 LEU 75 3HD2 LEU 75 111.903 -1.256 3.777
574 H PHE 76 H PHE 76 114.471 -7.427 1.373
575 HA PHE 76 HA PHE 76 115.295 -6.585 -1.292
576 1HB PHE 76 1HB PHE 76 117.270 -6.025 -0.023
577 2HB PHE 76 2HB PHE 76 117.272 -7.602 0.764
578 HD1 PHE 76 HD1 PHE 76 117.703 -9.643 -0.647
579 HD2 PHE 76 HD2 PHE 76 118.316 -5.685 -2.084
580 HE1 PHE 76 HE1 PHE 76 119.135 -10.521 -2.444
581 HE2 PHE 76 HE2 PHE 76 119.748 -6.555 -3.884
582 HZ PHE 76 HZ PHE 76 120.159 -8.977 -4.066
Start of MODEL 7
1 HT1 PRO 9 HT1 PRO 9 101.080 14.317 -8.770
2 HT2 PRO 9 HT2 PRO 9 101.661 12.818 -8.414
3 HA PRO 9 HA PRO 9 103.008 14.991 -8.862
4 1HB PRO 9 1HB PRO 9 103.869 14.575 -6.121
5 2HB PRO 9 2HB PRO 9 103.453 16.084 -6.945
6 1HG PRO 9 1HG PRO 9 101.902 14.977 -5.003
7 2HG PRO 9 2HG PRO 9 101.255 15.977 -6.315
8 1HD PRO 9 1HD PRO 9 101.303 12.985 -6.058
9 2HD PRO 9 2HD PRO 9 99.985 14.042 -6.604
10 H GLY 10 H GLY 10 103.058 12.123 -6.750
11 1HA GLY 10 1HA GLY 10 105.257 11.055 -8.378
12 2HA GLY 10 2HA GLY 10 105.477 11.162 -6.638
13 H LEU 11 H LEU 11 105.264 9.281 -5.711
14 HA LEU 11 HA LEU 11 103.196 7.445 -6.708
15 1HB LEU 11 1HB LEU 11 104.903 5.821 -5.356
16 2HB LEU 11 2HB LEU 11 104.899 6.054 -7.094
17 HG LEU 11 HG LEU 11 106.564 8.036 -6.443
18 1HD1 LEU 11 1HD1 LEU 11 106.708 6.084 -4.169
19 2HD1 LEU 11 2HD1 LEU 11 106.581 7.843 -4.106
20 3HD1 LEU 11 3HD1 LEU 11 108.082 7.085 -4.638
21 1HD2 LEU 11 1HD2 LEU 11 108.278 6.695 -7.226
22 2HD2 LEU 11 2HD2 LEU 11 106.843 5.888 -7.858
23 3HD2 LEU 11 3HD2 LEU 11 107.654 5.253 -6.425
24 H GLN 12 H GLN 12 102.394 5.901 -5.040
25 HA GLN 12 HA GLN 12 101.573 7.386 -2.726
26 1HB GLN 12 1HB GLN 12 100.656 4.859 -2.234
27 2HB GLN 12 2HB GLN 12 99.788 6.086 -3.141
28 1HG GLN 12 1HG GLN 12 101.661 4.226 -4.540
29 2HG GLN 12 2HG GLN 12 100.036 3.701 -4.101
30 1HE2 GLN 12 1HE2 GLN 12 100.313 3.558 -6.614
31 2HE2 GLN 12 2HE2 GLN 12 99.659 4.902 -7.480
32 H ILE 13 H ILE 13 102.467 7.433 -0.803
33 HA ILE 13 HA ILE 13 104.636 5.559 -0.195
34 HB ILE 13 HB ILE 13 103.917 8.069 1.310
35 1HG1 ILE 13 1HG1 ILE 13 104.471 8.382 -1.182
36 2HG1 ILE 13 2HG1 ILE 13 105.404 9.318 -0.018
37 1HG2 ILE 13 1HG2 ILE 13 106.304 7.926 2.008
38 2HG2 ILE 13 2HG2 ILE 13 106.386 6.350 1.222
39 3HG2 ILE 13 3HG2 ILE 13 105.299 6.598 2.589
40 1HD1 ILE 13 1HD1 ILE 13 106.292 6.804 -1.410
41 2HD1 ILE 13 2HD1 ILE 13 107.223 7.680 -0.194
42 3HD1 ILE 13 3HD1 ILE 13 106.846 8.447 -1.738
43 H TYR 14 H TYR 14 104.325 3.956 1.230
44 HA TYR 14 HA TYR 14 102.113 4.222 3.165
45 1HB TYR 14 1HB TYR 14 102.947 1.480 2.473
46 2HB TYR 14 2HB TYR 14 101.330 2.146 2.696
47 HD1 TYR 14 HD1 TYR 14 104.140 1.965 0.275
48 HD2 TYR 14 HD2 TYR 14 99.972 2.599 0.835
49 HE1 TYR 14 HE1 TYR 14 103.813 1.910 -2.160
50 HE2 TYR 14 HE2 TYR 14 99.633 2.549 -1.601
51 HH TYR 14 HH TYR 14 100.679 1.773 -3.590
52 HA PRO 15 HA PRO 15 104.657 3.155 6.610
53 1HB PRO 15 1HB PRO 15 103.408 0.474 6.897
54 2HB PRO 15 2HB PRO 15 103.536 1.790 8.074
55 1HG PRO 15 1HG PRO 15 101.214 1.244 6.882
56 2HG PRO 15 2HG PRO 15 101.703 2.917 7.210
57 1HD PRO 15 1HD PRO 15 101.744 1.397 4.635
58 2HD PRO 15 2HD PRO 15 101.335 3.101 4.935
59 H TYR 16 H TYR 16 106.316 1.609 7.445
60 HA TYR 16 HA TYR 16 107.742 0.450 5.219
61 1HB TYR 16 1HB TYR 16 109.151 1.662 6.627
62 2HB TYR 16 2HB TYR 16 108.383 1.047 8.089
63 HD1 TYR 16 HD1 TYR 16 109.076 -0.982 9.080
64 HD2 TYR 16 HD2 TYR 16 110.760 0.261 5.386
65 HE1 TYR 16 HE1 TYR 16 110.838 -2.689 9.318
66 HE2 TYR 16 HE2 TYR 16 112.528 -1.436 5.594
67 HH TYR 16 HH TYR 16 112.412 -3.902 8.023
68 H GLU 17 H GLU 17 106.775 -0.734 8.450
69 HA GLU 17 HA GLU 17 107.405 -3.396 8.183
70 1HB GLU 17 1HB GLU 17 105.148 -2.028 9.635
71 2HB GLU 17 2HB GLU 17 105.339 -3.775 9.697
72 1HG GLU 17 1HG GLU 17 107.862 -2.631 10.256
73 2HG GLU 17 2HG GLU 17 106.659 -1.773 11.224
74 H MET 18 H MET 18 104.764 -1.668 6.694
75 HA MET 18 HA MET 18 103.481 -4.117 5.787
76 1HB MET 18 1HB MET 18 102.857 -1.192 5.577
77 2HB MET 18 2HB MET 18 102.085 -2.323 4.475
78 1HG MET 18 1HG MET 18 101.988 -3.090 7.304
79 2HG MET 18 2HG MET 18 101.107 -1.615 6.893
80 1HE MET 18 1HE MET 18 100.127 -5.905 6.080
81 2HE MET 18 2HE MET 18 101.652 -5.212 6.631
82 3HE MET 18 3HE MET 18 101.326 -5.367 4.905
83 H LEU 19 H LEU 19 105.605 -1.618 4.639
84 HA LEU 19 HA LEU 19 105.464 -2.411 1.874
85 1HB LEU 19 1HB LEU 19 106.912 -0.360 3.468
86 2HB LEU 19 2HB LEU 19 107.537 -0.775 1.881
87 HG LEU 19 HG LEU 19 104.761 0.259 2.464
88 1HD1 LEU 19 1HD1 LEU 19 105.439 2.347 1.760
89 2HD1 LEU 19 2HD1 LEU 19 106.851 1.719 0.911
90 3HD1 LEU 19 3HD1 LEU 19 106.845 1.801 2.673
91 1HD2 LEU 19 1HD2 LEU 19 105.929 -1.073 0.188
92 2HD2 LEU 19 2HD2 LEU 19 105.358 0.542 -0.231
93 3HD2 LEU 19 3HD2 LEU 19 104.251 -0.624 0.495
94 H VAL 20 H VAL 20 107.025 -3.660 4.566
95 HA VAL 20 HA VAL 20 109.596 -4.240 3.616
96 HB VAL 20 HB VAL 20 108.038 -6.056 5.450
97 1HG1 VAL 20 1HG1 VAL 20 110.421 -5.974 6.531
98 2HG1 VAL 20 2HG1 VAL 20 110.908 -5.521 4.898
99 3HG1 VAL 20 3HG1 VAL 20 110.082 -7.054 5.176
100 1HG2 VAL 20 1HG2 VAL 20 107.616 -4.015 6.424
101 2HG2 VAL 20 2HG2 VAL 20 109.164 -3.337 5.941
102 3HG2 VAL 20 3HG2 VAL 20 109.088 -4.524 7.242
103 H VAL 21 H VAL 21 110.360 -6.574 3.115
104 HA VAL 21 HA VAL 21 108.623 -7.526 0.958
105 HB VAL 21 HB VAL 21 111.531 -8.146 1.436
106 1HG1 VAL 21 1HG1 VAL 21 109.572 -8.865 -0.667
107 2HG1 VAL 21 2HG1 VAL 21 110.939 -9.778 -0.026
108 3HG1 VAL 21 3HG1 VAL 21 111.213 -8.475 -1.183
109 1HG2 VAL 21 1HG2 VAL 21 110.424 -6.166 -0.533
110 2HG2 VAL 21 2HG2 VAL 21 112.104 -6.418 -0.068
111 3HG2 VAL 21 3HG2 VAL 21 110.970 -5.707 1.080
112 H THR 22 H THR 22 111.002 -9.198 3.055
113 HA THR 22 HA THR 22 109.212 -11.526 3.009
114 HB THR 22 HB THR 22 112.180 -11.297 3.477
115 HG1 THR 22 HG1 THR 22 112.236 -11.679 1.436
116 1HG2 THR 22 1HG2 THR 22 111.974 -13.158 4.713
117 2HG2 THR 22 2HG2 THR 22 111.776 -13.940 3.145
118 3HG2 THR 22 3HG2 THR 22 110.358 -13.513 4.103
119 H ASN 23 H ASN 23 111.567 -10.142 5.261
120 HA ASN 23 HA ASN 23 111.145 -11.372 7.554
121 1HB ASN 23 1HB ASN 23 111.254 -8.365 7.312
122 2HB ASN 23 2HB ASN 23 111.650 -9.300 8.758
123 1HD2 ASN 23 1HD2 ASN 23 112.618 -8.491 5.503
124 2HD2 ASN 23 2HD2 ASN 23 114.254 -9.030 5.649
125 H LYS 24 H LYS 24 108.755 -9.159 6.195
126 HA LYS 24 HA LYS 24 107.102 -9.508 8.586
127 1HB LYS 24 1HB LYS 24 107.270 -7.483 6.447
128 2HB LYS 24 2HB LYS 24 105.648 -7.828 7.044
129 1HG LYS 24 1HG LYS 24 106.302 -6.117 8.428
130 2HG LYS 24 2HG LYS 24 106.743 -7.532 9.386
131 1HD LYS 24 1HD LYS 24 108.760 -6.402 7.515
132 2HD LYS 24 2HD LYS 24 108.433 -5.534 9.015
133 1HE LYS 24 1HE LYS 24 108.798 -8.429 9.322
134 2HE LYS 24 2HE LYS 24 110.224 -7.567 8.743
135 1HZ LYS 24 1HZ LYS 24 109.597 -7.819 11.315
136 2HZ LYS 24 2HZ LYS 24 108.830 -6.348 10.981
137 3HZ LYS 24 3HZ LYS 24 110.489 -6.519 10.700
138 H GLY 25 H GLY 25 107.520 -11.655 6.596
139 1HA GLY 25 1HA GLY 25 105.810 -13.365 6.331
140 2HA GLY 25 2HA GLY 25 104.674 -12.085 5.933
141 H ARG 26 H ARG 26 104.734 -11.130 3.880
142 HA ARG 26 HA ARG 26 106.542 -12.262 1.906
143 1HB ARG 26 1HB ARG 26 103.591 -12.245 1.333
144 2HB ARG 26 2HB ARG 26 104.871 -13.107 0.507
145 1HG ARG 26 1HG ARG 26 103.879 -14.822 1.636
146 2HG ARG 26 2HG ARG 26 105.121 -14.346 2.793
147 1HD ARG 26 1HD ARG 26 103.371 -12.859 3.859
148 2HD ARG 26 2HD ARG 26 102.186 -13.674 2.842
149 HE ARG 26 HE ARG 26 103.379 -14.679 5.223
150 1HH1 ARG 26 1HH1 ARG 26 102.129 -15.653 2.114
151 2HH1 ARG 26 2HH1 ARG 26 101.746 -17.260 2.632
152 1HH2 ARG 26 1HH2 ARG 26 102.878 -16.791 5.906
153 2HH2 ARG 26 2HH2 ARG 26 102.171 -17.907 4.784
154 H THR 27 H THR 27 104.901 -11.158 -0.295
155 HA THR 27 HA THR 27 105.902 -8.523 -0.169
156 HB THR 27 HB THR 27 105.577 -9.821 -2.288
157 HG1 THR 27 HG1 THR 27 105.868 -7.858 -2.938
158 1HG2 THR 27 1HG2 THR 27 103.245 -10.586 -1.815
159 2HG2 THR 27 2HG2 THR 27 103.504 -9.888 -3.412
160 3HG2 THR 27 3HG2 THR 27 102.713 -8.938 -2.155
161 H LYS 28 H LYS 28 102.498 -9.615 -0.310
162 HA LYS 28 HA LYS 28 100.571 -8.514 0.268
163 1HB LYS 28 1HB LYS 28 102.326 -8.214 2.693
164 2HB LYS 28 2HB LYS 28 100.573 -8.033 2.695
165 1HG LYS 28 1HG LYS 28 100.427 -10.193 3.115
166 2HG LYS 28 2HG LYS 28 101.049 -10.490 1.487
167 1HD LYS 28 1HD LYS 28 102.570 -11.637 2.750
168 2HD LYS 28 2HD LYS 28 103.365 -10.066 2.626
169 1HE LYS 28 1HE LYS 28 101.499 -10.554 4.900
170 2HE LYS 28 2HE LYS 28 103.096 -11.296 4.954
171 1HZ LYS 28 1HZ LYS 28 103.771 -8.835 4.288
172 2HZ LYS 28 2HZ LYS 28 103.601 -9.322 5.898
173 3HZ LYS 28 3HZ LYS 28 102.346 -8.487 5.132
174 H LEU 29 H LEU 29 102.674 -6.700 -0.953
175 HA LEU 29 HA LEU 29 102.746 -4.232 0.303
176 1HB LEU 29 1HB LEU 29 103.075 -5.241 -2.453
177 2HB LEU 29 2HB LEU 29 102.804 -3.523 -2.279
178 HG LEU 29 HG LEU 29 105.111 -3.770 -2.386
179 1HD1 LEU 29 1HD1 LEU 29 105.937 -3.101 -0.193
180 2HD1 LEU 29 2HD1 LEU 29 104.444 -3.658 0.550
181 3HD1 LEU 29 3HD1 LEU 29 104.418 -2.298 -0.571
182 1HD2 LEU 29 1HD2 LEU 29 105.969 -5.438 -0.365
183 2HD2 LEU 29 2HD2 LEU 29 105.935 -5.806 -2.089
184 3HD2 LEU 29 3HD2 LEU 29 104.587 -6.281 -1.060
185 HA PRO 30 HA PRO 30 98.651 -2.553 -0.074
186 1HB PRO 30 1HB PRO 30 99.402 0.095 -0.416
187 2HB PRO 30 2HB PRO 30 99.246 -0.705 1.152
188 1HG PRO 30 1HG PRO 30 101.693 -0.172 -0.479
189 2HG PRO 30 2HG PRO 30 101.470 -0.076 1.280
190 1HD PRO 30 1HD PRO 30 102.717 -2.164 0.130
191 2HD PRO 30 2HD PRO 30 101.681 -2.366 1.559
192 HA PRO 31 HA PRO 31 97.961 -1.744 -4.377
193 1HB PRO 31 1HB PRO 31 96.719 0.883 -4.126
194 2HB PRO 31 2HB PRO 31 95.971 -0.672 -4.508
195 1HG PRO 31 1HG PRO 31 95.550 0.632 -2.163
196 2HG PRO 31 2HG PRO 31 95.503 -1.134 -2.309
197 1HD PRO 31 1HD PRO 31 97.698 0.627 -1.278
198 2HD PRO 31 2HD PRO 31 97.116 -0.932 -0.652
199 H GLY 32 H GLY 32 99.857 -1.422 -5.480
200 1HA GLY 32 1HA GLY 32 100.891 0.110 -7.038
201 2HA GLY 32 2HA GLY 32 100.651 1.391 -5.866
202 H VAL 33 H VAL 33 102.106 -1.842 -5.400
203 HA VAL 33 HA VAL 33 104.704 -0.567 -4.984
204 HB VAL 33 HB VAL 33 104.264 -2.649 -3.051
205 1HG1 VAL 33 1HG1 VAL 33 106.094 -0.829 -3.366
206 2HG1 VAL 33 2HG1 VAL 33 105.615 -1.334 -1.748
207 3HG1 VAL 33 3HG1 VAL 33 104.982 0.164 -2.427
208 1HG2 VAL 33 1HG2 VAL 33 102.010 -1.781 -2.964
209 2HG2 VAL 33 2HG2 VAL 33 102.627 -0.138 -2.796
210 3HG2 VAL 33 3HG2 VAL 33 102.897 -1.321 -1.515
211 H ASP 34 H ASP 34 106.433 -1.704 -5.557
212 HA ASP 34 HA ASP 34 106.156 -4.542 -6.189
213 1HB ASP 34 1HB ASP 34 105.720 -3.131 -8.266
214 2HB ASP 34 2HB ASP 34 107.407 -2.625 -8.162
215 H ARG 35 H ARG 35 108.065 -5.700 -6.007
216 HA ARG 35 HA ARG 35 109.963 -4.829 -4.193
217 1HB ARG 35 1HB ARG 35 109.757 -7.093 -6.093
218 2HB ARG 35 2HB ARG 35 111.362 -6.741 -5.467
219 1HG ARG 35 1HG ARG 35 110.250 -8.426 -4.120
220 2HG ARG 35 2HG ARG 35 110.528 -6.953 -3.183
221 1HD ARG 35 1HD ARG 35 108.353 -7.420 -2.615
222 2HD ARG 35 2HD ARG 35 108.111 -6.350 -3.994
223 HE ARG 35 HE ARG 35 107.132 -8.086 -5.091
224 1HH1 ARG 35 1HH1 ARG 35 109.130 -9.395 -2.548
225 2HH1 ARG 35 2HH1 ARG 35 108.629 -11.030 -2.823
226 1HH2 ARG 35 1HH2 ARG 35 106.468 -10.237 -5.453
227 2HH2 ARG 35 2HH2 ARG 35 107.117 -11.508 -4.472
228 H MET 36 H MET 36 109.785 -4.197 -7.579
229 HA MET 36 HA MET 36 112.488 -3.755 -8.159
230 1HB MET 36 1HB MET 36 109.911 -3.137 -9.393
231 2HB MET 36 2HB MET 36 111.150 -1.941 -9.745
232 1HG MET 36 1HG MET 36 112.564 -4.147 -10.225
233 2HG MET 36 2HG MET 36 110.948 -4.769 -10.573
234 1HE MET 36 1HE MET 36 113.169 -3.777 -13.804
235 2HE MET 36 2HE MET 36 113.439 -4.619 -12.277
236 3HE MET 36 3HE MET 36 113.962 -2.945 -12.466
237 H ARG 37 H ARG 37 110.018 -1.555 -6.864
238 HA ARG 37 HA ARG 37 112.197 0.272 -6.109
239 1HB ARG 37 1HB ARG 37 110.289 2.082 -6.472
240 2HB ARG 37 2HB ARG 37 111.361 1.587 -7.770
241 1HG ARG 37 1HG ARG 37 108.722 0.239 -7.337
242 2HG ARG 37 2HG ARG 37 108.852 1.742 -8.252
243 1HD ARG 37 1HD ARG 37 110.866 0.069 -9.248
244 2HD ARG 37 2HD ARG 37 109.444 -0.956 -9.064
245 HE ARG 37 HE ARG 37 108.425 0.194 -10.767
246 1HH1 ARG 37 1HH1 ARG 37 111.251 1.958 -9.724
247 2HH1 ARG 37 2HH1 ARG 37 111.186 3.084 -11.037
248 1HH2 ARG 37 1HH2 ARG 37 108.339 1.676 -12.494
249 2HH2 ARG 37 2HH2 ARG 37 109.533 2.926 -12.609
250 H LEU 38 H LEU 38 111.095 -1.653 -4.404
251 HA LEU 38 HA LEU 38 108.986 -0.681 -2.832
252 1HB LEU 38 1HB LEU 38 111.030 -2.792 -2.602
253 2HB LEU 38 2HB LEU 38 110.364 -2.212 -1.080
254 HG LEU 38 HG LEU 38 108.709 -3.239 -3.389
255 1HD1 LEU 38 1HD1 LEU 38 110.196 -4.923 -2.177
256 2HD1 LEU 38 2HD1 LEU 38 108.470 -5.274 -2.254
257 3HD1 LEU 38 3HD1 LEU 38 109.173 -4.632 -0.771
258 1HD2 LEU 38 1HD2 LEU 38 107.864 -2.763 -0.552
259 2HD2 LEU 38 2HD2 LEU 38 106.855 -3.057 -1.968
260 3HD2 LEU 38 3HD2 LEU 38 107.725 -1.533 -1.807
261 H GLU 39 H GLU 39 112.502 -0.302 -2.521
262 HA GLU 39 HA GLU 39 112.336 1.204 -0.122
263 1HB GLU 39 1HB GLU 39 114.708 1.678 -0.469
264 2HB GLU 39 2HB GLU 39 114.358 -0.032 -0.671
265 1HG GLU 39 1HG GLU 39 115.840 0.494 -2.382
266 2HG GLU 39 2HG GLU 39 114.259 0.435 -3.158
267 H ARG 40 H ARG 40 110.914 2.056 -2.760
268 HA ARG 40 HA ARG 40 111.827 4.854 -2.686
269 1HB ARG 40 1HB ARG 40 112.257 3.854 -4.856
270 2HB ARG 40 2HB ARG 40 110.599 3.282 -4.954
271 1HG ARG 40 1HG ARG 40 110.091 5.137 -6.044
272 2HG ARG 40 2HG ARG 40 110.402 6.039 -4.561
273 1HD ARG 40 1HD ARG 40 112.665 5.285 -6.362
274 2HD ARG 40 2HD ARG 40 111.652 6.676 -6.750
275 HE ARG 40 HE ARG 40 113.687 6.572 -4.792
276 1HH1 ARG 40 1HH1 ARG 40 110.496 7.876 -5.341
277 2HH1 ARG 40 2HH1 ARG 40 110.725 9.218 -4.270
278 1HH2 ARG 40 1HH2 ARG 40 113.989 8.337 -3.384
279 2HH2 ARG 40 2HH2 ARG 40 112.707 9.480 -3.161
280 H HIS 41 H HIS 41 109.364 2.643 -2.076
281 HA HIS 41 HA HIS 41 107.181 4.538 -2.265
282 1HB HIS 41 1HB HIS 41 107.449 1.610 -1.662
283 2HB HIS 41 2HB HIS 41 105.961 2.463 -1.278
284 HD1 HIS 41 HD1 HIS 41 104.977 3.857 -3.495
285 HD2 HIS 41 HD2 HIS 41 107.453 0.586 -4.150
286 HE1 HIS 41 HE1 HIS 41 104.560 3.162 -5.874
287 HE2 HIS 41 HE2 HIS 41 105.989 1.118 -6.214
288 H LEU 42 H LEU 42 109.586 3.974 -0.099
289 HA LEU 42 HA LEU 42 108.055 4.128 2.333
290 1HB LEU 42 1HB LEU 42 111.011 4.252 1.753
291 2HB LEU 42 2HB LEU 42 110.322 4.286 3.371
292 HG LEU 42 HG LEU 42 109.437 2.025 1.715
293 1HD1 LEU 42 1HD1 LEU 42 111.383 0.898 1.466
294 2HD1 LEU 42 2HD1 LEU 42 112.154 1.696 2.840
295 3HD1 LEU 42 3HD1 LEU 42 112.005 2.542 1.293
296 1HD2 LEU 42 1HD2 LEU 42 109.766 0.842 3.791
297 2HD2 LEU 42 2HD2 LEU 42 108.875 2.338 4.072
298 3HD2 LEU 42 3HD2 LEU 42 110.587 2.242 4.481
299 H SER 43 H SER 43 107.942 5.879 3.712
300 HA SER 43 HA SER 43 108.154 8.461 2.452
301 1HB SER 43 1HB SER 43 107.506 8.996 5.058
302 2HB SER 43 2HB SER 43 106.333 8.637 3.786
303 HG SER 43 HG SER 43 106.612 7.319 5.972
304 H ALA 44 H ALA 44 109.216 10.294 3.563
305 HA ALA 44 HA ALA 44 111.928 9.967 3.821
306 1HB ALA 44 1HB ALA 44 110.222 12.062 5.166
307 2HB ALA 44 2HB ALA 44 110.904 12.151 3.542
308 3HB ALA 44 3HB ALA 44 111.970 12.156 4.948
309 H GLU 45 H GLU 45 109.470 9.460 6.229
310 HA GLU 45 HA GLU 45 111.293 9.308 8.447
311 1HB GLU 45 1HB GLU 45 109.116 7.968 9.346
312 2HB GLU 45 2HB GLU 45 109.276 9.716 9.390
313 1HG GLU 45 1HG GLU 45 107.865 10.014 7.563
314 2HG GLU 45 2HG GLU 45 108.035 8.340 7.041
315 H ASP 46 H ASP 46 109.315 6.915 6.731
316 HA ASP 46 HA ASP 46 110.369 4.631 7.905
317 1HB ASP 46 1HB ASP 46 109.191 5.073 5.160
318 2HB ASP 46 2HB ASP 46 109.617 3.476 5.778
319 H PHE 47 H PHE 47 111.415 6.296 4.931
320 HA PHE 47 HA PHE 47 113.436 4.502 4.233
321 1HB PHE 47 1HB PHE 47 112.401 6.533 2.945
322 2HB PHE 47 2HB PHE 47 113.724 7.432 3.694
323 HD1 PHE 47 HD1 PHE 47 113.080 4.325 1.769
324 HD2 PHE 47 HD2 PHE 47 115.759 7.513 2.630
325 HE1 PHE 47 HE1 PHE 47 114.624 3.507 0.023
326 HE2 PHE 47 HE2 PHE 47 117.300 6.706 0.886
327 HZ PHE 47 HZ PHE 47 116.726 4.703 -0.422
328 H SER 48 H SER 48 113.935 7.738 5.643
329 HA SER 48 HA SER 48 116.610 7.369 6.295
330 1HB SER 48 1HB SER 48 114.491 9.204 7.391
331 2HB SER 48 2HB SER 48 116.138 9.232 8.017
332 HG SER 48 HG SER 48 115.569 9.453 5.257
333 H ARG 49 H ARG 49 113.829 6.061 7.824
334 HA ARG 49 HA ARG 49 115.137 5.671 10.380
335 1HB ARG 49 1HB ARG 49 112.731 6.129 10.313
336 2HB ARG 49 2HB ARG 49 112.472 4.674 9.359
337 1HG ARG 49 1HG ARG 49 111.877 4.133 11.572
338 2HG ARG 49 2HG ARG 49 113.445 3.377 11.285
339 1HD ARG 49 1HD ARG 49 113.717 6.074 12.314
340 2HD ARG 49 2HD ARG 49 112.767 5.051 13.395
341 HE ARG 49 HE ARG 49 115.580 4.789 12.757
342 1HH1 ARG 49 1HH1 ARG 49 112.750 3.272 14.132
343 2HH1 ARG 49 2HH1 ARG 49 113.664 2.144 15.076
344 1HH2 ARG 49 1HH2 ARG 49 116.777 3.303 13.997
345 2HH2 ARG 49 2HH2 ARG 49 115.947 2.161 15.000
346 H VAL 50 H VAL 50 114.492 3.867 7.462
347 HA VAL 50 HA VAL 50 115.418 1.384 8.692
348 HB VAL 50 HB VAL 50 114.506 1.781 5.844
349 1HG1 VAL 50 1HG1 VAL 50 115.892 -0.259 6.588
350 2HG1 VAL 50 2HG1 VAL 50 114.409 -0.535 5.674
351 3HG1 VAL 50 3HG1 VAL 50 114.423 -0.763 7.422
352 1HG2 VAL 50 1HG2 VAL 50 112.341 1.532 6.411
353 2HG2 VAL 50 2HG2 VAL 50 112.882 2.221 7.943
354 3HG2 VAL 50 3HG2 VAL 50 112.705 0.475 7.774
355 H PHE 51 H PHE 51 116.274 3.563 6.014
356 HA PHE 51 HA PHE 51 118.761 2.082 5.622
357 1HB PHE 51 1HB PHE 51 117.522 4.328 4.027
358 2HB PHE 51 2HB PHE 51 119.023 3.505 3.611
359 HD1 PHE 51 HD1 PHE 51 115.760 3.724 2.725
360 HD2 PHE 51 HD2 PHE 51 118.633 0.768 3.750
361 HE1 PHE 51 HE1 PHE 51 114.491 2.053 1.428
362 HE2 PHE 51 HE2 PHE 51 117.369 -0.907 2.460
363 HZ PHE 51 HZ PHE 51 115.303 -0.263 1.298
364 H ALA 52 H ALA 52 117.617 5.216 6.717
365 HA ALA 52 HA ALA 52 118.679 6.810 7.985
366 1HB ALA 52 1HB ALA 52 121.282 5.358 7.744
367 2HB ALA 52 2HB ALA 52 120.017 4.773 8.826
368 3HB ALA 52 3HB ALA 52 120.699 6.384 9.054
369 H MET 53 H MET 53 118.855 6.360 4.922
370 HA MET 53 HA MET 53 120.707 8.587 4.414
371 1HB MET 53 1HB MET 53 120.782 7.206 2.069
372 2HB MET 53 2HB MET 53 122.009 7.129 3.329
373 1HG MET 53 1HG MET 53 121.376 5.060 4.024
374 2HG MET 53 2HG MET 53 119.692 5.293 3.548
375 1HE MET 53 1HE MET 53 119.067 5.722 1.109
376 2HE MET 53 2HE MET 53 119.773 4.846 -0.250
377 3HE MET 53 3HE MET 53 120.503 6.351 0.298
378 H SER 54 H SER 54 120.254 9.724 2.407
379 HA SER 54 HA SER 54 117.519 10.462 2.306
380 1HB SER 54 1HB SER 54 119.455 11.999 1.930
381 2HB SER 54 2HB SER 54 119.733 11.194 0.380
382 HG SER 54 HG SER 54 118.051 12.194 -0.444
383 HA PRO 55 HA PRO 55 115.796 7.680 -0.697
384 1HB PRO 55 1HB PRO 55 114.553 10.173 -1.774
385 2HB PRO 55 2HB PRO 55 113.795 8.630 -1.362
386 1HG PRO 55 1HG PRO 55 113.540 10.745 0.242
387 2HG PRO 55 2HG PRO 55 113.734 9.110 0.906
388 1HD PRO 55 1HD PRO 55 115.701 11.344 0.758
389 2HD PRO 55 2HD PRO 55 115.523 10.071 1.985
390 H GLU 56 H GLU 56 117.312 10.715 -1.533
391 HA GLU 56 HA GLU 56 117.733 10.012 -4.297
392 1HB GLU 56 1HB GLU 56 118.756 12.122 -4.531
393 2HB GLU 56 2HB GLU 56 117.473 12.382 -3.353
394 1HG GLU 56 1HG GLU 56 119.527 11.796 -1.708
395 2HG GLU 56 2HG GLU 56 120.394 12.550 -3.049
396 H GLU 57 H GLU 57 119.464 9.868 -1.262
397 HA GLU 57 HA GLU 57 122.055 9.436 -2.166
398 1HB GLU 57 1HB GLU 57 120.586 8.895 0.352
399 2HB GLU 57 2HB GLU 57 121.933 7.808 0.043
400 1HG GLU 57 1HG GLU 57 123.011 10.255 -0.534
401 2HG GLU 57 2HG GLU 57 121.928 10.610 0.812
402 H PHE 58 H PHE 58 119.526 7.009 -1.470
403 HA PHE 58 HA PHE 58 120.810 4.661 -2.085
404 1HB PHE 58 1HB PHE 58 118.231 5.353 -1.575
405 2HB PHE 58 2HB PHE 58 118.108 4.962 -3.288
406 HD1 PHE 58 HD1 PHE 58 118.785 2.664 -4.054
407 HD2 PHE 58 HD2 PHE 58 118.340 3.669 0.058
408 HE1 PHE 58 HE1 PHE 58 118.580 0.276 -3.490
409 HE2 PHE 58 HE2 PHE 58 118.147 1.287 0.627
410 HZ PHE 58 HZ PHE 58 118.265 -0.417 -1.146
411 H GLY 59 H GLY 59 118.865 6.456 -4.495
412 1HA GLY 59 1HA GLY 59 119.668 5.040 -6.734
413 2HA GLY 59 2HA GLY 59 119.141 6.716 -6.761
414 H LYS 60 H LYS 60 121.450 7.402 -4.929
415 HA LYS 60 HA LYS 60 123.422 7.677 -7.068
416 1HB LYS 60 1HB LYS 60 122.982 9.126 -4.467
417 2HB LYS 60 2HB LYS 60 124.474 9.307 -5.386
418 1HG LYS 60 1HG LYS 60 123.021 9.969 -7.351
419 2HG LYS 60 2HG LYS 60 121.686 10.075 -6.197
420 1HD LYS 60 1HD LYS 60 123.599 11.510 -4.915
421 2HD LYS 60 2HD LYS 60 123.992 11.858 -6.600
422 1HE LYS 60 1HE LYS 60 121.135 11.998 -5.886
423 2HE LYS 60 2HE LYS 60 122.169 13.231 -5.163
424 1HZ LYS 60 1HZ LYS 60 123.012 13.311 -7.676
425 2HZ LYS 60 2HZ LYS 60 121.743 14.268 -7.101
426 3HZ LYS 60 3HZ LYS 60 121.409 12.840 -7.942
427 H LEU 61 H LEU 61 122.857 5.505 -4.672
428 HA LEU 61 HA LEU 61 125.501 5.267 -3.616
429 1HB LEU 61 1HB LEU 61 123.044 3.513 -3.439
430 2HB LEU 61 2HB LEU 61 124.521 3.222 -2.550
431 HG LEU 61 HG LEU 61 122.548 5.425 -2.176
432 1HD1 LEU 61 1HD1 LEU 61 123.461 3.055 -0.722
433 2HD1 LEU 61 2HD1 LEU 61 121.898 3.872 -0.709
434 3HD1 LEU 61 3HD1 LEU 61 123.232 4.505 0.255
435 1HD2 LEU 61 1HD2 LEU 61 124.311 6.147 -0.380
436 2HD2 LEU 61 2HD2 LEU 61 124.430 6.738 -2.038
437 3HD2 LEU 61 3HD2 LEU 61 125.449 5.402 -1.503
438 H ALA 62 H ALA 62 125.280 2.275 -3.784
439 HA ALA 62 HA ALA 62 126.085 1.906 -6.583
440 1HB ALA 62 1HB ALA 62 127.439 0.534 -4.284
441 2HB ALA 62 2HB ALA 62 128.013 2.057 -4.960
442 3HB ALA 62 3HB ALA 62 127.958 0.608 -5.966
443 H LEU 63 H LEU 63 126.190 -0.465 -7.184
444 HA LEU 63 HA LEU 63 123.660 -1.640 -6.760
445 1HB LEU 63 1HB LEU 63 125.250 -1.888 -8.745
446 2HB LEU 63 2HB LEU 63 126.078 -3.100 -7.784
447 HG LEU 63 HG LEU 63 123.244 -3.639 -7.842
448 1HD1 LEU 63 1HD1 LEU 63 124.597 -3.096 -10.450
449 2HD1 LEU 63 2HD1 LEU 63 122.964 -2.682 -9.925
450 3HD1 LEU 63 3HD1 LEU 63 123.365 -4.352 -10.327
451 1HD2 LEU 63 1HD2 LEU 63 125.476 -5.058 -7.496
452 2HD2 LEU 63 2HD2 LEU 63 125.212 -5.372 -9.212
453 3HD2 LEU 63 3HD2 LEU 63 123.960 -5.779 -8.038
454 H TRP 64 H TRP 64 126.724 -2.043 -5.144
455 HA TRP 64 HA TRP 64 125.905 -4.456 -3.791
456 1HB TRP 64 1HB TRP 64 128.114 -4.083 -2.618
457 2HB TRP 64 2HB TRP 64 128.226 -4.272 -4.373
458 HD1 TRP 64 HD1 TRP 64 129.209 -2.252 -5.714
459 HE1 TRP 64 HE1 TRP 64 130.119 0.054 -5.046
460 HE3 TRP 64 HE3 TRP 64 127.623 -2.210 -0.981
461 HZ2 TRP 64 HZ2 TRP 64 130.150 1.683 -2.686
462 HZ3 TRP 64 HZ3 TRP 64 128.126 -0.242 0.455
463 HH2 TRP 64 HH2 TRP 64 129.348 1.657 -0.394
464 H LYS 65 H LYS 65 126.173 -1.036 -3.328
465 HA LYS 65 HA LYS 65 125.656 -1.019 -0.519
466 1HB LYS 65 1HB LYS 65 126.570 0.858 -2.198
467 2HB LYS 65 2HB LYS 65 124.868 1.312 -2.184
468 1HG LYS 65 1HG LYS 65 124.887 1.748 0.123
469 2HG LYS 65 2HG LYS 65 126.431 0.915 0.347
470 1HD LYS 65 1HD LYS 65 127.508 2.658 -1.057
471 2HD LYS 65 2HD LYS 65 125.964 3.516 -1.107
472 1HE LYS 65 1HE LYS 65 127.624 4.323 0.620
473 2HE LYS 65 2HE LYS 65 126.008 3.928 1.222
474 1HZ LYS 65 1HZ LYS 65 126.774 2.168 2.386
475 2HZ LYS 65 2HZ LYS 65 128.221 3.046 2.364
476 3HZ LYS 65 3HZ LYS 65 127.980 1.783 1.264
477 H ARG 66 H ARG 66 123.620 -0.041 -3.287
478 HA ARG 66 HA ARG 66 121.206 0.269 -2.023
479 1HB ARG 66 1HB ARG 66 121.720 -0.956 -4.737
480 2HB ARG 66 2HB ARG 66 120.158 -0.375 -4.183
481 1HG ARG 66 1HG ARG 66 121.216 1.874 -3.869
482 2HG ARG 66 2HG ARG 66 122.639 1.228 -4.688
483 1HD ARG 66 1HD ARG 66 120.333 0.598 -6.239
484 2HD ARG 66 2HD ARG 66 120.290 2.320 -5.830
485 HE ARG 66 HE ARG 66 122.842 1.419 -6.803
486 1HH1 ARG 66 1HH1 ARG 66 119.694 2.617 -7.716
487 2HH1 ARG 66 2HH1 ARG 66 120.234 3.235 -9.241
488 1HH2 ARG 66 1HH2 ARG 66 123.554 2.232 -8.807
489 2HH2 ARG 66 2HH2 ARG 66 122.424 3.016 -9.860
490 H ASN 67 H ASN 67 122.693 -2.690 -3.195
491 HA ASN 67 HA ASN 67 120.581 -4.454 -2.601
492 1HB ASN 67 1HB ASN 67 123.449 -4.688 -3.221
493 2HB ASN 67 2HB ASN 67 122.817 -6.001 -2.226
494 1HD2 ASN 67 1HD2 ASN 67 122.355 -4.245 -5.241
495 2HD2 ASN 67 2HD2 ASN 67 121.595 -5.541 -6.092
496 H GLU 68 H GLU 68 123.602 -4.115 -0.748
497 HA GLU 68 HA GLU 68 123.002 -5.464 1.508
498 1HB GLU 68 1HB GLU 68 125.103 -4.047 0.828
499 2HB GLU 68 2HB GLU 68 124.337 -2.806 1.808
500 1HG GLU 68 1HG GLU 68 124.629 -5.516 2.978
501 2HG GLU 68 2HG GLU 68 126.074 -4.518 2.815
502 H LEU 69 H LEU 69 122.053 -2.105 0.821
503 HA LEU 69 HA LEU 69 120.880 -1.564 3.311
504 1HB LEU 69 1HB LEU 69 119.906 -0.482 0.680
505 2HB LEU 69 2HB LEU 69 119.764 0.255 2.264
506 HG LEU 69 HG LEU 69 122.468 -0.285 1.238
507 1HD1 LEU 69 1HD1 LEU 69 120.661 1.046 -0.355
508 2HD1 LEU 69 2HD1 LEU 69 122.417 1.144 -0.460
509 3HD1 LEU 69 3HD1 LEU 69 121.520 2.334 0.480
510 1HD2 LEU 69 1HD2 LEU 69 122.940 1.813 2.437
511 2HD2 LEU 69 2HD2 LEU 69 122.202 0.594 3.475
512 3HD2 LEU 69 3HD2 LEU 69 121.231 1.930 2.856
513 H LYS 70 H LYS 70 119.236 -2.330 0.273
514 HA LYS 70 HA LYS 70 116.708 -2.893 1.363
515 1HB LYS 70 1HB LYS 70 118.135 -3.621 -1.156
516 2HB LYS 70 2HB LYS 70 116.657 -4.481 -0.762
517 1HG LYS 70 1HG LYS 70 115.339 -2.605 -0.981
518 2HG LYS 70 2HG LYS 70 116.687 -1.500 -0.688
519 1HD LYS 70 1HD LYS 70 116.068 -1.395 -3.016
520 2HD LYS 70 2HD LYS 70 117.648 -2.166 -2.872
521 1HE LYS 70 1HE LYS 70 116.070 -4.335 -2.758
522 2HE LYS 70 2HE LYS 70 115.058 -3.284 -3.748
523 1HZ LYS 70 1HZ LYS 70 116.552 -3.288 -5.448
524 2HZ LYS 70 2HZ LYS 70 116.866 -4.825 -4.816
525 3HZ LYS 70 3HZ LYS 70 117.892 -3.534 -4.442
526 H LYS 71 H LYS 71 119.648 -4.661 1.352
527 HA LYS 71 HA LYS 71 118.504 -7.237 1.892
528 1HB LYS 71 1HB LYS 71 121.316 -6.134 1.841
529 2HB LYS 71 2HB LYS 71 120.964 -7.803 2.301
530 1HG LYS 71 1HG LYS 71 119.684 -7.031 -0.187
531 2HG LYS 71 2HG LYS 71 121.438 -6.856 -0.241
532 1HD LYS 71 1HD LYS 71 120.254 -9.354 0.885
533 2HD LYS 71 2HD LYS 71 120.313 -9.138 -0.864
534 1HE LYS 71 1HE LYS 71 122.482 -9.623 -0.917
535 2HE LYS 71 2HE LYS 71 122.834 -8.422 0.324
536 1HZ LYS 71 1HZ LYS 71 122.575 -11.278 0.557
537 2HZ LYS 71 2HZ LYS 71 121.711 -10.431 1.739
538 3HZ LYS 71 3HZ LYS 71 123.373 -10.178 1.565
539 H LYS 72 H LYS 72 119.882 -4.606 3.767
540 HA LYS 72 HA LYS 72 119.672 -6.165 6.217
541 1HB LYS 72 1HB LYS 72 120.915 -4.386 7.292
542 2HB LYS 72 2HB LYS 72 121.749 -4.880 5.826
543 1HG LYS 72 1HG LYS 72 121.896 -2.635 5.579
544 2HG LYS 72 2HG LYS 72 120.331 -2.890 4.799
545 1HD LYS 72 1HD LYS 72 119.522 -2.588 7.341
546 2HD LYS 72 2HD LYS 72 120.985 -1.603 7.380
547 1HE LYS 72 1HE LYS 72 119.188 -1.207 5.067
548 2HE LYS 72 2HE LYS 72 118.584 -0.659 6.631
549 1HZ LYS 72 1HZ LYS 72 120.052 1.016 6.699
550 2HZ LYS 72 2HZ LYS 72 120.158 0.796 5.026
551 3HZ LYS 72 3HZ LYS 72 121.315 0.099 6.045
552 H ALA 73 H ALA 73 118.083 -3.777 4.400
553 HA ALA 73 HA ALA 73 116.579 -2.600 6.546
554 1HB ALA 73 1HB ALA 73 116.748 -2.310 3.606
555 2HB ALA 73 2HB ALA 73 116.779 -1.077 4.868
556 3HB ALA 73 3HB ALA 73 115.247 -1.809 4.384
557 H GLU 74 H GLU 74 116.470 -5.601 5.311
558 HA GLU 74 HA GLU 74 114.943 -7.276 5.429
559 1HB GLU 74 1HB GLU 74 113.212 -5.146 6.694
560 2HB GLU 74 2HB GLU 74 112.743 -6.830 6.551
561 1HG GLU 74 1HG GLU 74 114.391 -7.538 8.050
562 2HG GLU 74 2HG GLU 74 115.274 -6.018 7.927
563 H LEU 75 H LEU 75 115.055 -5.109 3.231
564 HA LEU 75 HA LEU 75 112.756 -6.159 1.811
565 1HB LEU 75 1HB LEU 75 112.806 -3.567 0.876
566 2HB LEU 75 2HB LEU 75 111.599 -4.271 1.941
567 HG LEU 75 HG LEU 75 113.684 -3.428 3.594
568 1HD1 LEU 75 1HD1 LEU 75 114.738 -1.982 2.136
569 2HD1 LEU 75 2HD1 LEU 75 113.553 -0.919 2.900
570 3HD1 LEU 75 3HD1 LEU 75 113.240 -1.579 1.290
571 1HD2 LEU 75 1HD2 LEU 75 111.773 -1.495 3.801
572 2HD2 LEU 75 2HD2 LEU 75 111.713 -3.070 4.592
573 3HD2 LEU 75 3HD2 LEU 75 110.878 -2.820 3.059
574 H PHE 76 H PHE 76 114.715 -7.376 1.027
575 HA PHE 76 HA PHE 76 115.793 -5.966 -1.327
576 1HB PHE 76 1HB PHE 76 117.812 -6.340 -0.380
577 2HB PHE 76 2HB PHE 76 117.171 -7.553 0.729
578 HD1 PHE 76 HD1 PHE 76 117.277 -9.884 0.201
579 HD2 PHE 76 HD2 PHE 76 118.560 -6.970 -2.622
580 HE1 PHE 76 HE1 PHE 76 118.340 -11.654 -1.137
581 HE2 PHE 76 HE2 PHE 76 119.624 -8.734 -3.967
582 HZ PHE 76 HZ PHE 76 119.514 -11.080 -3.225
Start of MODEL 8
1 HT1 PRO 9 HT1 PRO 9 103.313 15.442 -5.984
2 HT2 PRO 9 HT2 PRO 9 104.329 14.939 -7.175
3 HA PRO 9 HA PRO 9 102.299 13.676 -6.162
4 1HB PRO 9 1HB PRO 9 101.296 13.888 -8.878
5 2HB PRO 9 2HB PRO 9 100.425 14.061 -7.349
6 1HG PRO 9 1HG PRO 9 100.934 16.155 -9.008
7 2HG PRO 9 2HG PRO 9 100.776 16.320 -7.251
8 1HD PRO 9 1HD PRO 9 103.268 16.173 -8.922
9 2HD PRO 9 2HD PRO 9 102.891 17.253 -7.567
10 H GLY 10 H GLY 10 103.699 11.989 -6.150
11 1HA GLY 10 1HA GLY 10 104.682 11.037 -8.771
12 2HA GLY 10 2HA GLY 10 105.584 10.856 -7.274
13 H LEU 11 H LEU 11 105.197 9.180 -5.962
14 HA LEU 11 HA LEU 11 103.140 7.269 -6.836
15 1HB LEU 11 1HB LEU 11 104.924 5.733 -5.482
16 2HB LEU 11 2HB LEU 11 104.871 5.908 -7.225
17 HG LEU 11 HG LEU 11 106.503 7.941 -6.707
18 1HD1 LEU 11 1HD1 LEU 11 106.611 7.929 -4.384
19 2HD1 LEU 11 2HD1 LEU 11 108.074 7.067 -4.867
20 3HD1 LEU 11 3HD1 LEU 11 106.665 6.167 -4.300
21 1HD2 LEU 11 1HD2 LEU 11 106.770 5.591 -7.902
22 2HD2 LEU 11 2HD2 LEU 11 107.788 5.278 -6.496
23 3HD2 LEU 11 3HD2 LEU 11 108.152 6.633 -7.565
24 H GLN 12 H GLN 12 102.424 5.762 -5.092
25 HA GLN 12 HA GLN 12 101.633 7.294 -2.799
26 1HB GLN 12 1HB GLN 12 100.641 4.974 -2.124
27 2HB GLN 12 2HB GLN 12 99.932 5.872 -3.458
28 1HG GLN 12 1HG GLN 12 102.082 3.977 -4.155
29 2HG GLN 12 2HG GLN 12 100.569 3.277 -3.586
30 1HE2 GLN 12 1HE2 GLN 12 101.913 3.346 -6.253
31 2HE2 GLN 12 2HE2 GLN 12 100.705 3.941 -7.338
32 H ILE 13 H ILE 13 102.242 7.064 -0.688
33 HA ILE 13 HA ILE 13 104.514 5.269 -0.161
34 HB ILE 13 HB ILE 13 104.102 8.021 1.011
35 1HG1 ILE 13 1HG1 ILE 13 105.778 7.018 -1.281
36 2HG1 ILE 13 2HG1 ILE 13 104.677 8.395 -1.244
37 1HG2 ILE 13 1HG2 ILE 13 106.088 7.753 2.166
38 2HG2 ILE 13 2HG2 ILE 13 106.631 6.436 1.127
39 3HG2 ILE 13 3HG2 ILE 13 105.349 6.158 2.304
40 1HD1 ILE 13 1HD1 ILE 13 106.495 9.646 -1.000
41 2HD1 ILE 13 2HD1 ILE 13 107.503 8.248 -0.621
42 3HD1 ILE 13 3HD1 ILE 13 106.570 9.035 0.652
43 H TYR 14 H TYR 14 104.187 3.859 1.410
44 HA TYR 14 HA TYR 14 102.196 4.467 3.497
45 1HB TYR 14 1HB TYR 14 102.757 1.684 2.477
46 2HB TYR 14 2HB TYR 14 101.396 2.237 3.449
47 HD1 TYR 14 HD1 TYR 14 102.915 2.564 0.064
48 HD2 TYR 14 HD2 TYR 14 99.392 2.852 2.434
49 HE1 TYR 14 HE1 TYR 14 101.574 2.851 -1.972
50 HE2 TYR 14 HE2 TYR 14 98.041 3.143 0.401
51 HH TYR 14 HH TYR 14 98.517 4.020 -2.015
52 HA PRO 15 HA PRO 15 104.929 3.394 6.806
53 1HB PRO 15 1HB PRO 15 103.539 0.767 7.153
54 2HB PRO 15 2HB PRO 15 103.960 1.986 8.366
55 1HG PRO 15 1HG PRO 15 101.461 1.779 7.502
56 2HG PRO 15 2HG PRO 15 102.189 3.374 7.775
57 1HD PRO 15 1HD PRO 15 101.645 1.948 5.213
58 2HD PRO 15 2HD PRO 15 101.565 3.686 5.576
59 H TYR 16 H TYR 16 106.562 1.726 7.549
60 HA TYR 16 HA TYR 16 107.824 0.601 5.212
61 1HB TYR 16 1HB TYR 16 109.371 1.671 6.564
62 2HB TYR 16 2HB TYR 16 108.625 1.098 8.052
63 HD1 TYR 16 HD1 TYR 16 109.323 -0.887 9.074
64 HD2 TYR 16 HD2 TYR 16 110.748 0.089 5.195
65 HE1 TYR 16 HE1 TYR 16 110.983 -2.700 9.238
66 HE2 TYR 16 HE2 TYR 16 112.413 -1.716 5.328
67 HH TYR 16 HH TYR 16 113.611 -2.958 7.353
68 H GLU 17 H GLU 17 106.995 -0.690 8.441
69 HA GLU 17 HA GLU 17 107.527 -3.342 8.083
70 1HB GLU 17 1HB GLU 17 105.703 -1.800 9.773
71 2HB GLU 17 2HB GLU 17 105.147 -3.443 9.482
72 1HG GLU 17 1HG GLU 17 107.434 -4.220 10.197
73 2HG GLU 17 2HG GLU 17 107.735 -2.562 10.728
74 H MET 18 H MET 18 104.438 -1.759 7.246
75 HA MET 18 HA MET 18 103.238 -4.070 6.159
76 1HB MET 18 1HB MET 18 102.621 -1.241 6.367
77 2HB MET 18 2HB MET 18 102.133 -1.886 4.806
78 1HG MET 18 1HG MET 18 101.184 -3.812 6.426
79 2HG MET 18 2HG MET 18 101.064 -2.411 7.495
80 1HE MET 18 1HE MET 18 99.291 -4.578 5.780
81 2HE MET 18 2HE MET 18 99.312 -4.032 4.103
82 3HE MET 18 3HE MET 18 97.877 -3.776 5.095
83 H LEU 19 H LEU 19 105.538 -1.810 4.933
84 HA LEU 19 HA LEU 19 105.192 -2.652 2.175
85 1HB LEU 19 1HB LEU 19 106.860 -0.588 3.562
86 2HB LEU 19 2HB LEU 19 107.185 -1.030 1.894
87 HG LEU 19 HG LEU 19 104.580 0.092 2.933
88 1HD1 LEU 19 1HD1 LEU 19 106.523 1.452 1.097
89 2HD1 LEU 19 2HD1 LEU 19 106.634 1.613 2.850
90 3HD1 LEU 19 3HD1 LEU 19 105.183 2.151 2.004
91 1HD2 LEU 19 1HD2 LEU 19 105.479 -0.970 0.312
92 2HD2 LEU 19 2HD2 LEU 19 104.383 0.412 0.332
93 3HD2 LEU 19 3HD2 LEU 19 103.912 -1.100 1.108
94 H VAL 20 H VAL 20 106.749 -3.957 4.790
95 HA VAL 20 HA VAL 20 109.324 -4.521 3.804
96 HB VAL 20 HB VAL 20 107.759 -6.364 5.612
97 1HG1 VAL 20 1HG1 VAL 20 110.594 -6.011 4.874
98 2HG1 VAL 20 2HG1 VAL 20 109.710 -7.476 5.303
99 3HG1 VAL 20 3HG1 VAL 20 110.245 -6.362 6.565
100 1HG2 VAL 20 1HG2 VAL 20 109.523 -4.325 6.793
101 2HG2 VAL 20 2HG2 VAL 20 108.016 -5.018 7.391
102 3HG2 VAL 20 3HG2 VAL 20 107.980 -3.757 6.161
103 H VAL 21 H VAL 21 110.085 -6.768 3.128
104 HA VAL 21 HA VAL 21 108.235 -7.696 1.053
105 HB VAL 21 HB VAL 21 111.186 -8.247 1.299
106 1HG1 VAL 21 1HG1 VAL 21 110.523 -9.818 -0.203
107 2HG1 VAL 21 2HG1 VAL 21 110.689 -8.450 -1.304
108 3HG1 VAL 21 3HG1 VAL 21 109.096 -8.904 -0.697
109 1HG2 VAL 21 1HG2 VAL 21 109.753 -6.096 -0.253
110 2HG2 VAL 21 2HG2 VAL 21 111.469 -6.473 -0.384
111 3HG2 VAL 21 3HG2 VAL 21 110.815 -5.855 1.135
112 H THR 22 H THR 22 110.799 -9.361 2.932
113 HA THR 22 HA THR 22 109.065 -11.734 2.939
114 HB THR 22 HB THR 22 112.053 -11.416 3.140
115 HG1 THR 22 HG1 THR 22 110.447 -12.904 1.344
116 1HG2 THR 22 1HG2 THR 22 112.196 -13.293 4.310
117 2HG2 THR 22 2HG2 THR 22 111.538 -14.124 2.900
118 3HG2 THR 22 3HG2 THR 22 110.461 -13.585 4.189
119 H ASN 23 H ASN 23 111.327 -10.021 5.039
120 HA ASN 23 HA ASN 23 111.185 -11.359 7.359
121 1HB ASN 23 1HB ASN 23 111.104 -8.357 7.039
122 2HB ASN 23 2HB ASN 23 111.551 -9.207 8.522
123 1HD2 ASN 23 1HD2 ASN 23 112.471 -8.533 5.208
124 2HD2 ASN 23 2HD2 ASN 23 114.133 -8.978 5.384
125 H LYS 24 H LYS 24 108.519 -9.548 6.005
126 HA LYS 24 HA LYS 24 106.982 -10.091 8.461
127 1HB LYS 24 1HB LYS 24 107.121 -7.754 6.701
128 2HB LYS 24 2HB LYS 24 105.476 -8.253 7.077
129 1HG LYS 24 1HG LYS 24 106.449 -6.538 8.614
130 2HG LYS 24 2HG LYS 24 105.839 -7.991 9.408
131 1HD LYS 24 1HD LYS 24 107.941 -7.412 10.407
132 2HD LYS 24 2HD LYS 24 108.173 -8.870 9.441
133 1HE LYS 24 1HE LYS 24 109.897 -7.799 8.510
134 2HE LYS 24 2HE LYS 24 108.688 -6.848 7.651
135 1HZ LYS 24 1HZ LYS 24 108.872 -5.108 9.165
136 2HZ LYS 24 2HZ LYS 24 110.474 -5.603 8.939
137 3HZ LYS 24 3HZ LYS 24 109.636 -6.062 10.335
138 H GLY 25 H GLY 25 107.440 -11.911 6.166
139 1HA GLY 25 1HA GLY 25 105.710 -13.611 5.735
140 2HA GLY 25 2HA GLY 25 104.606 -12.284 5.405
141 H ARG 26 H ARG 26 104.490 -11.452 3.377
142 HA ARG 26 HA ARG 26 106.554 -12.176 1.461
143 1HB ARG 26 1HB ARG 26 105.010 -12.966 -0.180
144 2HB ARG 26 2HB ARG 26 104.740 -13.876 1.293
145 1HG ARG 26 1HG ARG 26 103.050 -11.519 1.095
146 2HG ARG 26 2HG ARG 26 102.821 -12.651 -0.237
147 1HD ARG 26 1HD ARG 26 102.999 -13.814 2.469
148 2HD ARG 26 2HD ARG 26 101.551 -12.871 2.114
149 HE ARG 26 HE ARG 26 101.733 -14.511 -0.019
150 1HH1 ARG 26 1HH1 ARG 26 101.808 -15.097 3.420
151 2HH1 ARG 26 2HH1 ARG 26 101.115 -16.678 3.293
152 1HH2 ARG 26 1HH2 ARG 26 100.818 -16.590 -0.189
153 2HH2 ARG 26 2HH2 ARG 26 100.549 -17.525 1.245
154 H THR 27 H THR 27 104.708 -11.093 -0.712
155 HA THR 27 HA THR 27 105.627 -8.465 -0.551
156 HB THR 27 HB THR 27 105.070 -9.635 -2.674
157 HG1 THR 27 HG1 THR 27 103.589 -7.246 -2.562
158 1HG2 THR 27 1HG2 THR 27 102.221 -8.838 -2.227
159 2HG2 THR 27 2HG2 THR 27 102.809 -10.469 -1.896
160 3HG2 THR 27 3HG2 THR 27 102.908 -9.810 -3.528
161 H LYS 28 H LYS 28 102.172 -9.447 -0.395
162 HA LYS 28 HA LYS 28 100.382 -8.354 0.499
163 1HB LYS 28 1HB LYS 28 102.465 -8.054 2.655
164 2HB LYS 28 2HB LYS 28 100.740 -7.774 2.888
165 1HG LYS 28 1HG LYS 28 100.522 -9.916 3.387
166 2HG LYS 28 2HG LYS 28 100.978 -10.311 1.724
167 1HD LYS 28 1HD LYS 28 102.514 -11.476 3.062
168 2HD LYS 28 2HD LYS 28 103.389 -10.047 2.494
169 1HE LYS 28 1HE LYS 28 101.939 -9.677 5.020
170 2HE LYS 28 2HE LYS 28 103.236 -10.869 5.093
171 1HZ LYS 28 1HZ LYS 28 103.383 -7.985 4.645
172 2HZ LYS 28 2HZ LYS 28 104.513 -8.952 3.841
173 3HZ LYS 28 3HZ LYS 28 104.413 -8.996 5.530
174 H LEU 29 H LEU 29 102.482 -6.618 -0.969
175 HA LEU 29 HA LEU 29 102.660 -4.131 0.234
176 1HB LEU 29 1HB LEU 29 102.900 -5.216 -2.493
177 2HB LEU 29 2HB LEU 29 102.672 -3.489 -2.370
178 HG LEU 29 HG LEU 29 104.971 -3.794 -2.507
179 1HD1 LEU 29 1HD1 LEU 29 104.376 -3.591 0.440
180 2HD1 LEU 29 2HD1 LEU 29 104.321 -2.259 -0.713
181 3HD1 LEU 29 3HD1 LEU 29 105.850 -3.061 -0.362
182 1HD2 LEU 29 1HD2 LEU 29 104.416 -6.251 -1.106
183 2HD2 LEU 29 2HD2 LEU 29 105.818 -5.420 -0.442
184 3HD2 LEU 29 3HD2 LEU 29 105.765 -5.832 -2.156
185 HA PRO 30 HA PRO 30 98.570 -2.417 0.011
186 1HB PRO 30 1HB PRO 30 99.393 0.229 -0.203
187 2HB PRO 30 2HB PRO 30 99.196 -0.645 1.321
188 1HG PRO 30 1HG PRO 30 101.674 -0.084 -0.246
189 2HG PRO 30 2HG PRO 30 101.434 -0.104 1.512
190 1HD PRO 30 1HD PRO 30 102.637 -2.141 0.213
191 2HD PRO 30 2HD PRO 30 101.602 -2.408 1.633
192 HA PRO 31 HA PRO 31 97.775 -1.357 -4.215
193 1HB PRO 31 1HB PRO 31 96.749 1.349 -3.742
194 2HB PRO 31 2HB PRO 31 95.887 -0.100 -4.278
195 1HG PRO 31 1HG PRO 31 95.525 0.959 -1.823
196 2HG PRO 31 2HG PRO 31 95.432 -0.786 -2.126
197 1HD PRO 31 1HD PRO 31 97.681 0.819 -0.965
198 2HD PRO 31 2HD PRO 31 97.048 -0.763 -0.459
199 H GLY 32 H GLY 32 99.637 -1.124 -5.379
200 1HA GLY 32 1HA GLY 32 100.788 0.307 -6.908
201 2HA GLY 32 2HA GLY 32 100.574 1.632 -5.781
202 H VAL 33 H VAL 33 101.905 -1.624 -5.187
203 HA VAL 33 HA VAL 33 104.552 -0.444 -4.802
204 HB VAL 33 HB VAL 33 104.180 -2.373 -2.756
205 1HG1 VAL 33 1HG1 VAL 33 105.659 -0.168 -3.185
206 2HG1 VAL 33 2HG1 VAL 33 105.482 -0.955 -1.621
207 3HG1 VAL 33 3HG1 VAL 33 104.483 0.441 -2.025
208 1HG2 VAL 33 1HG2 VAL 33 101.784 -1.145 -3.140
209 2HG2 VAL 33 2HG2 VAL 33 102.549 -0.092 -1.954
210 3HG2 VAL 33 3HG2 VAL 33 102.350 -1.810 -1.614
211 H ASP 34 H ASP 34 106.167 -1.624 -5.510
212 HA ASP 34 HA ASP 34 105.832 -4.503 -5.867
213 1HB ASP 34 1HB ASP 34 105.306 -2.996 -8.000
214 2HB ASP 34 2HB ASP 34 107.066 -3.012 -8.138
215 H ARG 35 H ARG 35 107.743 -5.660 -5.784
216 HA ARG 35 HA ARG 35 109.811 -4.712 -4.234
217 1HB ARG 35 1HB ARG 35 109.343 -7.070 -5.910
218 2HB ARG 35 2HB ARG 35 111.043 -6.672 -5.712
219 1HG ARG 35 1HG ARG 35 110.445 -8.222 -4.011
220 2HG ARG 35 2HG ARG 35 110.684 -6.645 -3.249
221 1HD ARG 35 1HD ARG 35 108.681 -6.915 -2.318
222 2HD ARG 35 2HD ARG 35 107.991 -6.678 -3.920
223 HE ARG 35 HE ARG 35 108.322 -9.196 -2.503
224 1HH1 ARG 35 1HH1 ARG 35 107.498 -7.591 -5.497
225 2HH1 ARG 35 2HH1 ARG 35 106.665 -8.963 -6.143
226 1HH2 ARG 35 1HH2 ARG 35 107.231 -10.996 -3.359
227 2HH2 ARG 35 2HH2 ARG 35 106.514 -10.894 -4.933
228 H MET 36 H MET 36 109.309 -4.250 -7.623
229 HA MET 36 HA MET 36 111.834 -3.871 -8.628
230 1HB MET 36 1HB MET 36 109.281 -3.422 -9.530
231 2HB MET 36 2HB MET 36 109.947 -1.796 -9.482
232 1HG MET 36 1HG MET 36 111.698 -2.372 -10.969
233 2HG MET 36 2HG MET 36 111.324 -4.093 -10.840
234 1HE MET 36 1HE MET 36 111.249 -3.985 -13.862
235 2HE MET 36 2HE MET 36 109.606 -4.619 -13.974
236 3HE MET 36 3HE MET 36 110.666 -5.144 -12.665
237 H ARG 37 H ARG 37 109.901 -1.564 -6.750
238 HA ARG 37 HA ARG 37 112.345 -0.143 -6.060
239 1HB ARG 37 1HB ARG 37 110.984 2.058 -6.502
240 2HB ARG 37 2HB ARG 37 111.878 1.286 -7.800
241 1HG ARG 37 1HG ARG 37 109.204 0.228 -7.643
242 2HG ARG 37 2HG ARG 37 109.180 1.987 -7.776
243 1HD ARG 37 1HD ARG 37 111.114 0.770 -9.568
244 2HD ARG 37 2HD ARG 37 109.478 0.179 -9.852
245 HE ARG 37 HE ARG 37 109.304 2.935 -9.648
246 1HH1 ARG 37 1HH1 ARG 37 110.856 0.607 -11.733
247 2HH1 ARG 37 2HH1 ARG 37 110.807 1.635 -13.125
248 1HH2 ARG 37 1HH2 ARG 37 109.237 4.288 -11.478
249 2HH2 ARG 37 2HH2 ARG 37 109.889 3.726 -12.981
250 H LEU 38 H LEU 38 111.099 -1.686 -4.308
251 HA LEU 38 HA LEU 38 108.988 -0.465 -2.880
252 1HB LEU 38 1HB LEU 38 110.883 -2.702 -2.383
253 2HB LEU 38 2HB LEU 38 110.016 -2.036 -1.005
254 HG LEU 38 HG LEU 38 108.695 -3.103 -3.504
255 1HD1 LEU 38 1HD1 LEU 38 108.934 -4.359 -0.772
256 2HD1 LEU 38 2HD1 LEU 38 109.814 -4.871 -2.213
257 3HD1 LEU 38 3HD1 LEU 38 108.056 -5.014 -2.156
258 1HD2 LEU 38 1HD2 LEU 38 106.661 -2.988 -2.121
259 2HD2 LEU 38 2HD2 LEU 38 107.370 -1.407 -2.440
260 3HD2 LEU 38 3HD2 LEU 38 107.589 -2.169 -0.865
261 H GLU 39 H GLU 39 112.455 -0.124 -2.769
262 HA GLU 39 HA GLU 39 112.497 1.289 -0.283
263 1HB GLU 39 1HB GLU 39 114.801 1.484 -0.559
264 2HB GLU 39 2HB GLU 39 114.420 -0.039 -1.349
265 1HG GLU 39 1HG GLU 39 114.837 2.596 -2.743
266 2HG GLU 39 2HG GLU 39 116.024 1.298 -2.619
267 H ARG 40 H ARG 40 110.991 2.183 -2.923
268 HA ARG 40 HA ARG 40 111.868 4.989 -2.757
269 1HB ARG 40 1HB ARG 40 111.676 3.308 -5.002
270 2HB ARG 40 2HB ARG 40 110.313 4.410 -5.114
271 1HG ARG 40 1HG ARG 40 112.640 5.896 -4.404
272 2HG ARG 40 2HG ARG 40 113.010 4.878 -5.797
273 1HD ARG 40 1HD ARG 40 111.833 6.195 -7.150
274 2HD ARG 40 2HD ARG 40 110.421 6.098 -6.101
275 HE ARG 40 HE ARG 40 111.053 8.085 -5.078
276 1HH1 ARG 40 1HH1 ARG 40 113.466 7.079 -7.401
277 2HH1 ARG 40 2HH1 ARG 40 114.258 8.617 -7.424
278 1HH2 ARG 40 1HH2 ARG 40 112.102 10.103 -5.111
279 2HH2 ARG 40 2HH2 ARG 40 113.487 10.331 -6.126
280 H HIS 41 H HIS 41 109.426 2.748 -2.199
281 HA HIS 41 HA HIS 41 107.225 4.625 -2.379
282 1HB HIS 41 1HB HIS 41 107.515 1.691 -1.830
283 2HB HIS 41 2HB HIS 41 106.027 2.521 -1.409
284 HD1 HIS 41 HD1 HIS 41 104.907 3.868 -3.540
285 HD2 HIS 41 HD2 HIS 41 107.576 0.800 -4.378
286 HE1 HIS 41 HE1 HIS 41 104.473 3.233 -5.933
287 HE2 HIS 41 HE2 HIS 41 106.186 1.463 -6.455
288 H LEU 42 H LEU 42 109.611 4.016 -0.179
289 HA LEU 42 HA LEU 42 108.043 4.127 2.224
290 1HB LEU 42 1HB LEU 42 110.996 4.220 1.641
291 2HB LEU 42 2HB LEU 42 110.334 4.320 3.267
292 HG LEU 42 HG LEU 42 109.289 2.038 1.799
293 1HD1 LEU 42 1HD1 LEU 42 111.934 1.254 2.525
294 2HD1 LEU 42 2HD1 LEU 42 112.015 2.571 1.349
295 3HD1 LEU 42 3HD1 LEU 42 111.110 1.106 0.970
296 1HD2 LEU 42 1HD2 LEU 42 110.909 2.081 4.308
297 2HD2 LEU 42 2HD2 LEU 42 109.640 0.951 3.828
298 3HD2 LEU 42 3HD2 LEU 42 109.230 2.610 4.263
299 H SER 43 H SER 43 107.828 5.840 3.591
300 HA SER 43 HA SER 43 107.947 8.446 2.445
301 1HB SER 43 1HB SER 43 106.408 7.364 4.369
302 2HB SER 43 2HB SER 43 107.611 8.168 5.383
303 HG SER 43 HG SER 43 106.284 9.492 3.264
304 H ALA 44 H ALA 44 109.089 10.276 3.340
305 HA ALA 44 HA ALA 44 111.814 9.990 3.466
306 1HB ALA 44 1HB ALA 44 109.920 12.120 4.195
307 2HB ALA 44 2HB ALA 44 111.369 12.182 3.191
308 3HB ALA 44 3HB ALA 44 111.511 12.234 4.948
309 H GLU 45 H GLU 45 109.496 9.581 6.019
310 HA GLU 45 HA GLU 45 111.461 9.556 8.134
311 1HB GLU 45 1HB GLU 45 108.940 8.200 8.736
312 2HB GLU 45 2HB GLU 45 109.703 9.555 9.546
313 1HG GLU 45 1HG GLU 45 107.921 9.649 7.130
314 2HG GLU 45 2HG GLU 45 107.551 10.219 8.755
315 H ASP 46 H ASP 46 109.406 7.175 6.521
316 HA ASP 46 HA ASP 46 110.373 4.881 7.750
317 1HB ASP 46 1HB ASP 46 109.468 5.055 4.874
318 2HB ASP 46 2HB ASP 46 109.397 3.648 5.937
319 H PHE 47 H PHE 47 111.403 6.324 4.643
320 HA PHE 47 HA PHE 47 113.429 4.522 4.053
321 1HB PHE 47 1HB PHE 47 112.423 6.467 2.657
322 2HB PHE 47 2HB PHE 47 113.684 7.444 3.414
323 HD1 PHE 47 HD1 PHE 47 113.193 4.286 1.533
324 HD2 PHE 47 HD2 PHE 47 115.778 7.530 2.466
325 HE1 PHE 47 HE1 PHE 47 114.821 3.475 -0.142
326 HE2 PHE 47 HE2 PHE 47 117.404 6.732 0.798
327 HZ PHE 47 HZ PHE 47 116.919 4.706 -0.512
328 H SER 48 H SER 48 113.811 7.750 5.520
329 HA SER 48 HA SER 48 116.524 7.459 6.143
330 1HB SER 48 1HB SER 48 116.243 9.416 7.560
331 2HB SER 48 2HB SER 48 115.317 9.629 6.073
332 HG SER 48 HG SER 48 114.095 10.211 7.904
333 H ARG 49 H ARG 49 113.804 5.996 7.579
334 HA ARG 49 HA ARG 49 115.099 5.650 10.165
335 1HB ARG 49 1HB ARG 49 112.701 6.146 10.125
336 2HB ARG 49 2HB ARG 49 112.408 4.700 9.168
337 1HG ARG 49 1HG ARG 49 111.822 4.198 11.407
338 2HG ARG 49 2HG ARG 49 113.338 3.360 11.065
339 1HD ARG 49 1HD ARG 49 114.264 5.716 12.023
340 2HD ARG 49 2HD ARG 49 112.764 5.555 12.940
341 HE ARG 49 HE ARG 49 113.917 3.127 13.220
342 1HH1 ARG 49 1HH1 ARG 49 115.074 6.381 13.723
343 2HH1 ARG 49 2HH1 ARG 49 116.171 5.929 14.985
344 1HH2 ARG 49 1HH2 ARG 49 115.359 2.532 14.882
345 2HH2 ARG 49 2HH2 ARG 49 116.331 3.745 15.644
346 H VAL 50 H VAL 50 114.358 3.831 7.261
347 HA VAL 50 HA VAL 50 115.262 1.343 8.495
348 HB VAL 50 HB VAL 50 114.425 1.694 5.622
349 1HG1 VAL 50 1HG1 VAL 50 115.653 -0.382 6.509
350 2HG1 VAL 50 2HG1 VAL 50 114.180 -0.619 5.568
351 3HG1 VAL 50 3HG1 VAL 50 114.136 -0.753 7.326
352 1HG2 VAL 50 1HG2 VAL 50 112.476 0.597 7.542
353 2HG2 VAL 50 2HG2 VAL 50 112.226 1.595 6.110
354 3HG2 VAL 50 3HG2 VAL 50 112.747 2.337 7.625
355 H PHE 51 H PHE 51 116.258 3.663 6.034
356 HA PHE 51 HA PHE 51 118.713 2.109 5.598
357 1HB PHE 51 1HB PHE 51 117.547 4.376 3.972
358 2HB PHE 51 2HB PHE 51 119.010 3.478 3.575
359 HD1 PHE 51 HD1 PHE 51 118.582 0.808 3.577
360 HD2 PHE 51 HD2 PHE 51 115.676 3.812 2.821
361 HE1 PHE 51 HE1 PHE 51 117.250 -0.811 2.281
362 HE2 PHE 51 HE2 PHE 51 114.335 2.198 1.527
363 HZ PHE 51 HZ PHE 51 115.130 -0.109 1.254
364 H ALA 52 H ALA 52 117.532 5.268 6.604
365 HA ALA 52 HA ALA 52 118.551 6.886 7.879
366 1HB ALA 52 1HB ALA 52 121.137 5.382 7.764
367 2HB ALA 52 2HB ALA 52 119.834 4.890 8.846
368 3HB ALA 52 3HB ALA 52 120.559 6.490 9.008
369 H MET 53 H MET 53 118.796 6.403 4.852
370 HA MET 53 HA MET 53 120.690 8.592 4.344
371 1HB MET 53 1HB MET 53 120.837 7.148 2.044
372 2HB MET 53 2HB MET 53 122.018 7.090 3.348
373 1HG MET 53 1HG MET 53 121.357 5.038 4.052
374 2HG MET 53 2HG MET 53 119.681 5.285 3.556
375 1HE MET 53 1HE MET 53 119.064 5.621 1.066
376 2HE MET 53 2HE MET 53 119.864 4.794 -0.270
377 3HE MET 53 3HE MET 53 120.524 6.303 0.345
378 H SER 54 H SER 54 120.294 9.695 2.307
379 HA SER 54 HA SER 54 117.555 10.399 2.083
380 1HB SER 54 1HB SER 54 120.051 11.157 0.574
381 2HB SER 54 2HB SER 54 118.462 11.786 0.117
382 HG SER 54 HG SER 54 120.083 12.611 2.075
383 HA PRO 55 HA PRO 55 116.013 7.533 -0.949
384 1HB PRO 55 1HB PRO 55 114.747 9.969 -2.116
385 2HB PRO 55 2HB PRO 55 114.013 8.420 -1.689
386 1HG PRO 55 1HG PRO 55 113.658 10.577 -0.156
387 2HG PRO 55 2HG PRO 55 113.850 8.963 0.557
388 1HD PRO 55 1HD PRO 55 115.787 11.223 0.432
389 2HD PRO 55 2HD PRO 55 115.578 9.978 1.682
390 H GLU 56 H GLU 56 117.507 10.583 -1.732
391 HA GLU 56 HA GLU 56 118.056 9.898 -4.476
392 1HB GLU 56 1HB GLU 56 117.808 12.201 -4.177
393 2HB GLU 56 2HB GLU 56 118.710 12.201 -2.665
394 1HG GLU 56 1HG GLU 56 120.677 12.494 -3.690
395 2HG GLU 56 2HG GLU 56 120.265 11.410 -5.022
396 H GLU 57 H GLU 57 119.653 9.756 -1.363
397 HA GLU 57 HA GLU 57 122.289 9.375 -2.177
398 1HB GLU 57 1HB GLU 57 120.741 8.831 0.292
399 2HB GLU 57 2HB GLU 57 122.119 7.767 0.041
400 1HG GLU 57 1HG GLU 57 123.124 10.274 -0.524
401 2HG GLU 57 2HG GLU 57 122.040 10.542 0.840
402 H PHE 58 H PHE 58 119.781 6.923 -1.520
403 HA PHE 58 HA PHE 58 121.081 4.578 -2.045
404 1HB PHE 58 1HB PHE 58 118.483 5.277 -1.683
405 2HB PHE 58 2HB PHE 58 118.445 4.860 -3.394
406 HD1 PHE 58 HD1 PHE 58 118.415 3.621 -0.040
407 HD2 PHE 58 HD2 PHE 58 119.251 2.551 -4.073
408 HE1 PHE 58 HE1 PHE 58 118.188 1.251 0.552
409 HE2 PHE 58 HE2 PHE 58 119.022 0.173 -3.487
410 HZ PHE 58 HZ PHE 58 118.491 -0.484 -1.175
411 H GLY 59 H GLY 59 119.252 6.297 -4.594
412 1HA GLY 59 1HA GLY 59 120.165 4.835 -6.754
413 2HA GLY 59 2HA GLY 59 119.643 6.510 -6.846
414 H LYS 60 H LYS 60 121.878 7.226 -4.921
415 HA LYS 60 HA LYS 60 123.948 7.422 -6.982
416 1HB LYS 60 1HB LYS 60 123.282 9.028 -4.539
417 2HB LYS 60 2HB LYS 60 124.898 9.113 -5.236
418 1HG LYS 60 1HG LYS 60 122.721 9.433 -7.174
419 2HG LYS 60 2HG LYS 60 122.810 10.698 -5.942
420 1HD LYS 60 1HD LYS 60 125.415 9.986 -7.051
421 2HD LYS 60 2HD LYS 60 124.287 10.595 -8.264
422 1HE LYS 60 1HE LYS 60 123.825 12.469 -6.539
423 2HE LYS 60 2HE LYS 60 125.347 11.952 -5.814
424 1HZ LYS 60 1HZ LYS 60 125.691 13.756 -7.374
425 2HZ LYS 60 2HZ LYS 60 124.981 12.858 -8.619
426 3HZ LYS 60 3HZ LYS 60 126.442 12.348 -7.936
427 H LEU 61 H LEU 61 123.276 5.358 -4.526
428 HA LEU 61 HA LEU 61 125.855 5.206 -3.307
429 1HB LEU 61 1HB LEU 61 123.424 3.412 -3.200
430 2HB LEU 61 2HB LEU 61 124.846 3.200 -2.205
431 HG LEU 61 HG LEU 61 122.811 5.376 -2.072
432 1HD1 LEU 61 1HD1 LEU 61 123.670 3.103 -0.437
433 2HD1 LEU 61 2HD1 LEU 61 122.092 3.874 -0.584
434 3HD1 LEU 61 3HD1 LEU 61 123.332 4.595 0.441
435 1HD2 LEU 61 1HD2 LEU 61 124.245 6.506 -0.428
436 2HD2 LEU 61 2HD2 LEU 61 124.960 6.501 -2.040
437 3HD2 LEU 61 3HD2 LEU 61 125.548 5.381 -0.812
438 H ALA 62 H ALA 62 125.662 2.196 -3.369
439 HA ALA 62 HA ALA 62 126.665 1.736 -6.092
440 1HB ALA 62 1HB ALA 62 127.861 0.456 -3.654
441 2HB ALA 62 2HB ALA 62 128.472 1.957 -4.344
442 3HB ALA 62 3HB ALA 62 128.496 0.472 -5.298
443 H LEU 63 H LEU 63 126.677 -0.549 -6.748
444 HA LEU 63 HA LEU 63 124.180 -1.756 -6.414
445 1HB LEU 63 1HB LEU 63 125.870 -2.053 -8.285
446 2HB LEU 63 2HB LEU 63 126.677 -3.210 -7.242
447 HG LEU 63 HG LEU 63 123.907 -3.885 -7.370
448 1HD1 LEU 63 1HD1 LEU 63 125.210 -3.282 -9.999
449 2HD1 LEU 63 2HD1 LEU 63 123.600 -2.838 -9.429
450 3HD1 LEU 63 3HD1 LEU 63 123.957 -4.515 -9.846
451 1HD2 LEU 63 1HD2 LEU 63 124.725 -5.985 -7.667
452 2HD2 LEU 63 2HD2 LEU 63 126.184 -5.202 -7.056
453 3HD2 LEU 63 3HD2 LEU 63 125.980 -5.459 -8.789
454 H TRP 64 H TRP 64 127.141 -2.170 -4.598
455 HA TRP 64 HA TRP 64 126.184 -4.536 -3.255
456 1HB TRP 64 1HB TRP 64 128.325 -4.196 -1.957
457 2HB TRP 64 2HB TRP 64 128.542 -4.406 -3.700
458 HD1 TRP 64 HD1 TRP 64 129.643 -2.416 -4.999
459 HE1 TRP 64 HE1 TRP 64 130.557 -0.122 -4.292
460 HE3 TRP 64 HE3 TRP 64 127.778 -2.309 -0.373
461 HZ2 TRP 64 HZ2 TRP 64 130.477 1.524 -1.944
462 HZ3 TRP 64 HZ3 TRP 64 128.232 -0.343 1.080
463 HH2 TRP 64 HH2 TRP 64 129.539 1.527 0.295
464 H LYS 65 H LYS 65 126.484 -1.111 -2.838
465 HA LYS 65 HA LYS 65 125.789 -1.019 -0.072
466 1HB LYS 65 1HB LYS 65 126.738 0.830 -1.811
467 2HB LYS 65 2HB LYS 65 125.033 1.265 -1.809
468 1HG LYS 65 1HG LYS 65 127.001 1.345 0.446
469 2HG LYS 65 2HG LYS 65 125.954 2.625 -0.171
470 1HD LYS 65 1HD LYS 65 124.018 1.590 0.782
471 2HD LYS 65 2HD LYS 65 124.935 0.144 1.215
472 1HE LYS 65 1HE LYS 65 125.026 1.154 3.232
473 2HE LYS 65 2HE LYS 65 126.388 2.009 2.492
474 1HZ LYS 65 1HZ LYS 65 124.064 3.107 3.538
475 2HZ LYS 65 2HZ LYS 65 123.970 3.327 1.863
476 3HZ LYS 65 3HZ LYS 65 125.305 3.913 2.718
477 H ARG 66 H ARG 66 123.932 -0.148 -2.985
478 HA ARG 66 HA ARG 66 121.422 0.156 -1.953
479 1HB ARG 66 1HB ARG 66 122.143 -1.246 -4.531
480 2HB ARG 66 2HB ARG 66 120.562 -0.590 -4.144
481 1HG ARG 66 1HG ARG 66 121.861 1.637 -3.823
482 2HG ARG 66 2HG ARG 66 123.091 0.833 -4.801
483 1HD ARG 66 1HD ARG 66 120.541 0.422 -6.010
484 2HD ARG 66 2HD ARG 66 120.742 2.147 -5.669
485 HE ARG 66 HE ARG 66 122.049 0.660 -7.692
486 1HH1 ARG 66 1HH1 ARG 66 122.617 3.209 -5.378
487 2HH1 ARG 66 2HH1 ARG 66 123.850 3.966 -6.329
488 1HH2 ARG 66 1HH2 ARG 66 123.671 1.652 -8.941
489 2HH2 ARG 66 2HH2 ARG 66 124.450 3.082 -8.351
490 H ASN 67 H ASN 67 123.019 -2.843 -2.885
491 HA ASN 67 HA ASN 67 120.897 -4.606 -2.373
492 1HB ASN 67 1HB ASN 67 123.830 -4.826 -2.675
493 2HB ASN 67 2HB ASN 67 123.064 -6.135 -1.772
494 1HD2 ASN 67 1HD2 ASN 67 122.524 -4.229 -4.720
495 2HD2 ASN 67 2HD2 ASN 67 122.052 -5.568 -5.702
496 H GLU 68 H GLU 68 123.752 -4.190 -0.287
497 HA GLU 68 HA GLU 68 122.928 -5.449 1.958
498 1HB GLU 68 1HB GLU 68 124.732 -3.155 1.452
499 2HB GLU 68 2HB GLU 68 124.241 -3.411 3.120
500 1HG GLU 68 1HG GLU 68 125.009 -5.795 2.860
501 2HG GLU 68 2HG GLU 68 125.717 -5.309 1.320
502 H LEU 69 H LEU 69 122.027 -2.168 0.986
503 HA LEU 69 HA LEU 69 120.710 -1.459 3.374
504 1HB LEU 69 1HB LEU 69 119.974 -0.525 0.611
505 2HB LEU 69 2HB LEU 69 119.679 0.298 2.129
506 HG LEU 69 HG LEU 69 122.462 -0.295 1.366
507 1HD1 LEU 69 1HD1 LEU 69 121.625 2.312 0.479
508 2HD1 LEU 69 2HD1 LEU 69 120.778 1.030 -0.376
509 3HD1 LEU 69 3HD1 LEU 69 122.538 1.074 -0.379
510 1HD2 LEU 69 1HD2 LEU 69 122.573 0.728 3.373
511 2HD2 LEU 69 2HD2 LEU 69 121.003 1.507 3.175
512 3HD2 LEU 69 3HD2 LEU 69 122.430 2.189 2.395
513 H LYS 70 H LYS 70 119.287 -2.370 0.271
514 HA LYS 70 HA LYS 70 116.677 -2.847 1.216
515 1HB LYS 70 1HB LYS 70 118.248 -3.660 -1.189
516 2HB LYS 70 2HB LYS 70 116.730 -4.486 -0.872
517 1HG LYS 70 1HG LYS 70 115.472 -2.658 -1.346
518 2HG LYS 70 2HG LYS 70 116.703 -1.528 -0.771
519 1HD LYS 70 1HD LYS 70 116.474 -1.319 -3.166
520 2HD LYS 70 2HD LYS 70 118.045 -2.028 -2.788
521 1HE LYS 70 1HE LYS 70 116.557 -4.262 -3.047
522 2HE LYS 70 2HE LYS 70 115.716 -3.194 -4.170
523 1HZ LYS 70 1HZ LYS 70 118.225 -2.737 -4.881
524 2HZ LYS 70 2HZ LYS 70 117.287 -3.965 -5.570
525 3HZ LYS 70 3HZ LYS 70 118.387 -4.332 -4.339
526 H LYS 71 H LYS 71 119.583 -4.647 1.476
527 HA LYS 71 HA LYS 71 118.306 -7.172 2.044
528 1HB LYS 71 1HB LYS 71 121.161 -6.196 1.974
529 2HB LYS 71 2HB LYS 71 120.747 -7.801 2.583
530 1HG LYS 71 1HG LYS 71 119.902 -8.476 0.482
531 2HG LYS 71 2HG LYS 71 119.922 -6.819 -0.131
532 1HD LYS 71 1HD LYS 71 121.819 -7.728 -1.103
533 2HD LYS 71 2HD LYS 71 122.474 -6.952 0.340
534 1HE LYS 71 1HE LYS 71 121.624 -9.659 0.891
535 2HE LYS 71 2HE LYS 71 122.787 -9.611 -0.433
536 1HZ LYS 71 1HZ LYS 71 123.337 -9.481 2.261
537 2HZ LYS 71 2HZ LYS 71 123.599 -7.910 1.692
538 3HZ LYS 71 3HZ LYS 71 124.421 -9.212 0.991
539 H LYS 72 H LYS 72 119.594 -4.461 3.803
540 HA LYS 72 HA LYS 72 119.361 -5.871 6.342
541 1HB LYS 72 1HB LYS 72 121.396 -4.581 6.061
542 2HB LYS 72 2HB LYS 72 120.468 -3.143 5.660
543 1HG LYS 72 1HG LYS 72 119.663 -4.189 8.221
544 2HG LYS 72 2HG LYS 72 121.408 -3.912 8.170
545 1HD LYS 72 1HD LYS 72 120.873 -1.792 8.683
546 2HD LYS 72 2HD LYS 72 120.456 -1.654 6.974
547 1HE LYS 72 1HE LYS 72 118.697 -0.810 8.522
548 2HE LYS 72 2HE LYS 72 118.148 -2.083 7.434
549 1HZ LYS 72 1HZ LYS 72 117.698 -2.100 10.048
550 2HZ LYS 72 2HZ LYS 72 119.156 -2.957 10.016
551 3HZ LYS 72 3HZ LYS 72 117.830 -3.514 9.126
552 H ALA 73 H ALA 73 117.770 -3.643 4.318
553 HA ALA 73 HA ALA 73 116.104 -2.453 6.345
554 1HB ALA 73 1HB ALA 73 116.497 -2.178 3.428
555 2HB ALA 73 2HB ALA 73 116.361 -0.937 4.672
556 3HB ALA 73 3HB ALA 73 114.912 -1.740 4.064
557 H GLU 74 H GLU 74 116.152 -5.477 5.166
558 HA GLU 74 HA GLU 74 114.648 -7.178 5.170
559 1HB GLU 74 1HB GLU 74 112.636 -5.166 6.184
560 2HB GLU 74 2HB GLU 74 112.529 -6.912 6.307
561 1HG GLU 74 1HG GLU 74 114.546 -6.886 7.747
562 2HG GLU 74 2HG GLU 74 114.505 -5.124 7.700
563 H LEU 75 H LEU 75 114.904 -5.090 2.963
564 HA LEU 75 HA LEU 75 112.676 -6.102 1.415
565 1HB LEU 75 1HB LEU 75 112.812 -3.500 0.506
566 2HB LEU 75 2HB LEU 75 111.528 -4.204 1.477
567 HG LEU 75 HG LEU 75 113.544 -3.393 3.257
568 1HD1 LEU 75 1HD1 LEU 75 114.619 -1.910 1.845
569 2HD1 LEU 75 2HD1 LEU 75 113.423 -0.881 2.636
570 3HD1 LEU 75 3HD1 LEU 75 113.130 -1.481 0.999
571 1HD2 LEU 75 1HD2 LEU 75 110.753 -2.748 2.608
572 2HD2 LEU 75 2HD2 LEU 75 111.630 -1.509 3.508
573 3HD2 LEU 75 3HD2 LEU 75 111.499 -3.144 4.157
574 H PHE 76 H PHE 76 114.662 -7.336 0.766
575 HA PHE 76 HA PHE 76 115.808 -5.996 -1.595
576 1HB PHE 76 1HB PHE 76 117.754 -6.126 -0.387
577 2HB PHE 76 2HB PHE 76 117.209 -7.518 0.552
578 HD1 PHE 76 HD1 PHE 76 118.744 -6.408 -2.589
579 HD2 PHE 76 HD2 PHE 76 117.607 -9.758 -0.223
580 HE1 PHE 76 HE1 PHE 76 120.106 -7.875 -4.020
581 HE2 PHE 76 HE2 PHE 76 118.968 -11.232 -1.650
582 HZ PHE 76 HZ PHE 76 120.219 -10.291 -3.552
Start of MODEL 9
1 HT1 PRO 9 HT1 PRO 9 101.433 13.817 -8.334
2 HT2 PRO 9 HT2 PRO 9 101.633 12.375 -7.569
3 HA PRO 9 HA PRO 9 103.439 14.157 -8.150
4 1HB PRO 9 1HB PRO 9 103.715 14.222 -5.253
5 2HB PRO 9 2HB PRO 9 103.784 15.553 -6.416
6 1HG PRO 9 1HG PRO 9 101.718 15.216 -4.689
7 2HG PRO 9 2HG PRO 9 101.534 15.960 -6.288
8 1HD PRO 9 1HD PRO 9 100.919 13.147 -5.425
9 2HD PRO 9 2HD PRO 9 99.957 14.243 -6.436
10 H GLY 10 H GLY 10 103.151 11.551 -8.590
11 1HA GLY 10 1HA GLY 10 104.960 9.936 -8.589
12 2HA GLY 10 2HA GLY 10 105.249 10.339 -6.905
13 H LEU 11 H LEU 11 104.904 8.558 -5.807
14 HA LEU 11 HA LEU 11 102.395 7.102 -6.286
15 1HB LEU 11 1HB LEU 11 103.835 5.253 -5.018
16 2HB LEU 11 2HB LEU 11 103.815 5.415 -6.762
17 HG LEU 11 HG LEU 11 106.074 5.056 -5.803
18 1HD1 LEU 11 1HD1 LEU 11 106.358 7.747 -6.903
19 2HD1 LEU 11 2HD1 LEU 11 105.331 6.677 -7.857
20 3HD1 LEU 11 3HD1 LEU 11 106.989 6.206 -7.482
21 1HD2 LEU 11 1HD2 LEU 11 105.287 6.911 -3.910
22 2HD2 LEU 11 2HD2 LEU 11 106.454 7.785 -4.901
23 3HD2 LEU 11 3HD2 LEU 11 106.911 6.264 -4.134
24 H GLN 12 H GLN 12 101.574 5.931 -4.354
25 HA GLN 12 HA GLN 12 101.410 7.761 -2.151
26 1HB GLN 12 1HB GLN 12 100.113 5.501 -1.279
27 2HB GLN 12 2HB GLN 12 99.365 6.830 -2.153
28 1HG GLN 12 1HG GLN 12 99.529 5.658 -4.216
29 2HG GLN 12 2HG GLN 12 100.541 4.411 -3.495
30 1HE2 GLN 12 1HE2 GLN 12 98.410 3.573 -4.833
31 2HE2 GLN 12 2HE2 GLN 12 97.165 3.024 -3.769
32 H ILE 13 H ILE 13 102.280 7.648 -0.182
33 HA ILE 13 HA ILE 13 104.387 5.668 0.235
34 HB ILE 13 HB ILE 13 103.815 8.065 1.963
35 1HG1 ILE 13 1HG1 ILE 13 104.129 8.648 -0.495
36 2HG1 ILE 13 2HG1 ILE 13 105.258 9.399 0.630
37 1HG2 ILE 13 1HG2 ILE 13 105.301 6.638 3.060
38 2HG2 ILE 13 2HG2 ILE 13 106.341 7.832 2.283
39 3HG2 ILE 13 3HG2 ILE 13 106.153 6.232 1.569
40 1HD1 ILE 13 1HD1 ILE 13 106.444 8.669 -1.316
41 2HD1 ILE 13 2HD1 ILE 13 105.794 7.038 -1.152
42 3HD1 ILE 13 3HD1 ILE 13 106.918 7.666 0.054
43 H TYR 14 H TYR 14 104.555 4.444 2.156
44 HA TYR 14 HA TYR 14 102.312 4.477 4.017
45 1HB TYR 14 1HB TYR 14 103.041 1.759 3.149
46 2HB TYR 14 2HB TYR 14 101.459 2.453 3.482
47 HD1 TYR 14 HD1 TYR 14 104.101 2.159 0.924
48 HD2 TYR 14 HD2 TYR 14 100.046 3.177 1.707
49 HE1 TYR 14 HE1 TYR 14 103.663 2.227 -1.490
50 HE2 TYR 14 HE2 TYR 14 99.595 3.252 -0.712
51 HH TYR 14 HH TYR 14 102.100 3.181 -3.049
52 HA PRO 15 HA PRO 15 105.098 3.134 7.203
53 1HB PRO 15 1HB PRO 15 103.942 0.389 7.260
54 2HB PRO 15 2HB PRO 15 104.151 1.551 8.579
55 1HG PRO 15 1HG PRO 15 101.742 1.098 7.533
56 2HG PRO 15 2HG PRO 15 102.234 2.730 8.021
57 1HD PRO 15 1HD PRO 15 102.048 1.539 5.285
58 2HD PRO 15 2HD PRO 15 101.675 3.191 5.828
59 H TYR 16 H TYR 16 106.816 1.427 7.747
60 HA TYR 16 HA TYR 16 108.132 0.703 5.276
61 1HB TYR 16 1HB TYR 16 109.725 1.538 6.691
62 2HB TYR 16 2HB TYR 16 108.915 0.934 8.135
63 HD1 TYR 16 HD1 TYR 16 110.973 -0.142 5.230
64 HD2 TYR 16 HD2 TYR 16 109.633 -1.030 9.164
65 HE1 TYR 16 HE1 TYR 16 112.560 -2.011 5.328
66 HE2 TYR 16 HE2 TYR 16 111.221 -2.905 9.288
67 HH TYR 16 HH TYR 16 113.435 -3.516 8.165
68 H GLU 17 H GLU 17 107.512 -1.109 8.293
69 HA GLU 17 HA GLU 17 108.076 -3.642 7.423
70 1HB GLU 17 1HB GLU 17 106.352 -4.408 9.115
71 2HB GLU 17 2HB GLU 17 107.606 -3.333 9.717
72 1HG GLU 17 1HG GLU 17 105.625 -1.591 8.960
73 2HG GLU 17 2HG GLU 17 104.723 -2.969 9.598
74 H MET 18 H MET 18 105.318 -1.707 6.592
75 HA MET 18 HA MET 18 103.677 -3.854 5.676
76 1HB MET 18 1HB MET 18 103.586 -0.884 5.561
77 2HB MET 18 2HB MET 18 102.612 -1.771 4.399
78 1HG MET 18 1HG MET 18 102.489 -2.170 7.378
79 2HG MET 18 2HG MET 18 101.396 -1.133 6.456
80 1HE MET 18 1HE MET 18 99.620 -1.568 5.468
81 2HE MET 18 2HE MET 18 98.635 -2.988 5.818
82 3HE MET 18 3HE MET 18 99.496 -2.868 4.283
83 H LEU 19 H LEU 19 106.263 -2.010 4.272
84 HA LEU 19 HA LEU 19 105.601 -3.052 1.597
85 1HB LEU 19 1HB LEU 19 107.887 -1.225 1.846
86 2HB LEU 19 2HB LEU 19 106.578 -1.234 0.685
87 HG LEU 19 HG LEU 19 106.605 -0.005 3.424
88 1HD1 LEU 19 1HD1 LEU 19 106.342 2.048 2.317
89 2HD1 LEU 19 2HD1 LEU 19 105.928 1.265 0.791
90 3HD1 LEU 19 3HD1 LEU 19 107.579 1.184 1.405
91 1HD2 LEU 19 1HD2 LEU 19 104.414 -0.266 3.596
92 2HD2 LEU 19 2HD2 LEU 19 104.390 -1.175 2.086
93 3HD2 LEU 19 3HD2 LEU 19 104.193 0.576 2.063
94 H VAL 20 H VAL 20 107.225 -4.189 4.127
95 HA VAL 20 HA VAL 20 109.830 -4.688 3.259
96 HB VAL 20 HB VAL 20 108.192 -6.662 4.842
97 1HG1 VAL 20 1HG1 VAL 20 110.364 -7.119 5.916
98 2HG1 VAL 20 2HG1 VAL 20 111.126 -5.995 4.793
99 3HG1 VAL 20 3HG1 VAL 20 110.374 -7.476 4.187
100 1HG2 VAL 20 1HG2 VAL 20 108.108 -5.339 6.610
101 2HG2 VAL 20 2HG2 VAL 20 108.489 -4.011 5.510
102 3HG2 VAL 20 3HG2 VAL 20 109.779 -4.816 6.404
103 H VAL 21 H VAL 21 110.727 -6.738 2.392
104 HA VAL 21 HA VAL 21 109.019 -7.637 0.213
105 HB VAL 21 HB VAL 21 111.953 -8.173 0.651
106 1HG1 VAL 21 1HG1 VAL 21 110.011 -8.926 -1.439
107 2HG1 VAL 21 2HG1 VAL 21 111.495 -9.727 -0.926
108 3HG1 VAL 21 3HG1 VAL 21 111.572 -8.336 -2.007
109 1HG2 VAL 21 1HG2 VAL 21 112.455 -6.320 -0.676
110 2HG2 VAL 21 2HG2 VAL 21 111.182 -5.742 0.397
111 3HG2 VAL 21 3HG2 VAL 21 110.801 -6.180 -1.269
112 H THR 22 H THR 22 111.401 -9.372 2.268
113 HA THR 22 HA THR 22 109.667 -11.727 2.011
114 HB THR 22 HB THR 22 112.103 -11.719 1.234
115 HG1 THR 22 HG1 THR 22 112.333 -13.885 1.930
116 1HG2 THR 22 1HG2 THR 22 113.115 -10.735 3.240
117 2HG2 THR 22 2HG2 THR 22 113.785 -12.318 2.845
118 3HG2 THR 22 3HG2 THR 22 112.624 -12.156 4.162
119 H ASN 23 H ASN 23 111.669 -10.112 4.449
120 HA ASN 23 HA ASN 23 111.160 -11.650 6.634
121 1HB ASN 23 1HB ASN 23 111.411 -8.643 6.583
122 2HB ASN 23 2HB ASN 23 111.637 -9.668 8.001
123 1HD2 ASN 23 1HD2 ASN 23 112.907 -8.760 4.886
124 2HD2 ASN 23 2HD2 ASN 23 114.504 -9.371 5.134
125 H LYS 24 H LYS 24 109.026 -9.089 5.386
126 HA LYS 24 HA LYS 24 107.055 -9.960 7.397
127 1HB LYS 24 1HB LYS 24 107.904 -7.301 6.528
128 2HB LYS 24 2HB LYS 24 106.155 -7.503 6.573
129 1HG LYS 24 1HG LYS 24 106.927 -6.628 8.673
130 2HG LYS 24 2HG LYS 24 106.340 -8.275 8.907
131 1HD LYS 24 1HD LYS 24 108.423 -7.903 10.127
132 2HD LYS 24 2HD LYS 24 108.639 -9.106 8.854
133 1HE LYS 24 1HE LYS 24 110.194 -7.873 7.839
134 2HE LYS 24 2HE LYS 24 109.176 -6.434 7.886
135 1HZ LYS 24 1HZ LYS 24 111.089 -5.935 9.131
136 2HZ LYS 24 2HZ LYS 24 111.047 -7.405 9.966
137 3HZ LYS 24 3HZ LYS 24 109.879 -6.222 10.278
138 H GLY 25 H GLY 25 107.478 -11.067 4.661
139 1HA GLY 25 1HA GLY 25 105.209 -11.957 3.807
140 2HA GLY 25 2HA GLY 25 104.931 -10.270 3.412
141 H ARG 26 H ARG 26 104.821 -10.392 1.243
142 HA ARG 26 HA ARG 26 107.293 -10.984 -0.175
143 1HB ARG 26 1HB ARG 26 104.758 -12.046 -1.340
144 2HB ARG 26 2HB ARG 26 106.412 -12.560 -1.605
145 1HG ARG 26 1HG ARG 26 105.483 -14.311 -0.412
146 2HG ARG 26 2HG ARG 26 106.342 -13.385 0.820
147 1HD ARG 26 1HD ARG 26 104.437 -12.745 1.856
148 2HD ARG 26 2HD ARG 26 103.543 -12.602 0.345
149 HE ARG 26 HE ARG 26 102.824 -14.763 0.598
150 1HH1 ARG 26 1HH1 ARG 26 105.461 -14.172 2.807
151 2HH1 ARG 26 2HH1 ARG 26 105.252 -15.668 3.653
152 1HH2 ARG 26 1HH2 ARG 26 102.548 -16.732 1.710
153 2HH2 ARG 26 2HH2 ARG 26 103.599 -17.122 3.030
154 H THR 27 H THR 27 103.901 -10.341 -1.017
155 HA THR 27 HA THR 27 104.675 -7.783 -2.208
156 HB THR 27 HB THR 27 104.485 -9.922 -3.737
157 HG1 THR 27 HG1 THR 27 104.180 -8.531 -5.432
158 1HG2 THR 27 1HG2 THR 27 102.484 -10.512 -4.571
159 2HG2 THR 27 2HG2 THR 27 101.780 -8.915 -4.320
160 3HG2 THR 27 3HG2 THR 27 101.959 -10.026 -2.961
161 H LYS 28 H LYS 28 103.073 -8.995 0.064
162 HA LYS 28 HA LYS 28 100.369 -8.198 -0.394
163 1HB LYS 28 1HB LYS 28 101.867 -9.147 2.026
164 2HB LYS 28 2HB LYS 28 100.162 -8.710 2.082
165 1HG LYS 28 1HG LYS 28 100.627 -11.155 1.827
166 2HG LYS 28 2HG LYS 28 99.574 -10.463 0.593
167 1HD LYS 28 1HD LYS 28 101.404 -10.379 -0.986
168 2HD LYS 28 2HD LYS 28 102.540 -10.915 0.254
169 1HE LYS 28 1HE LYS 28 101.571 -13.073 0.340
170 2HE LYS 28 2HE LYS 28 100.162 -12.556 -0.585
171 1HZ LYS 28 1HZ LYS 28 101.213 -12.932 -2.494
172 2HZ LYS 28 2HZ LYS 28 102.380 -13.764 -1.596
173 3HZ LYS 28 3HZ LYS 28 102.622 -12.138 -1.993
174 H LEU 29 H LEU 29 102.720 -6.139 -0.298
175 HA LEU 29 HA LEU 29 102.304 -4.450 1.898
176 1HB LEU 29 1HB LEU 29 102.710 -2.925 -0.545
177 2HB LEU 29 2HB LEU 29 103.637 -2.925 0.936
178 HG LEU 29 HG LEU 29 105.048 -3.446 -0.923
179 1HD1 LEU 29 1HD1 LEU 29 105.250 -6.128 -0.107
180 2HD1 LEU 29 2HD1 LEU 29 104.629 -5.255 1.296
181 3HD1 LEU 29 3HD1 LEU 29 106.135 -4.745 0.535
182 1HD2 LEU 29 1HD2 LEU 29 102.809 -4.757 -1.899
183 2HD2 LEU 29 2HD2 LEU 29 104.018 -6.021 -1.656
184 3HD2 LEU 29 3HD2 LEU 29 104.396 -4.620 -2.653
185 HA PRO 30 HA PRO 30 98.544 -2.232 1.339
186 1HB PRO 30 1HB PRO 30 100.028 0.301 0.905
187 2HB PRO 30 2HB PRO 30 98.833 -0.103 2.145
188 1HG PRO 30 1HG PRO 30 101.440 0.108 2.733
189 2HG PRO 30 2HG PRO 30 100.401 -1.096 3.523
190 1HD PRO 30 1HD PRO 30 102.415 -1.465 1.336
191 2HD PRO 30 2HD PRO 30 102.013 -2.534 2.698
192 HA PRO 31 HA PRO 31 97.821 -1.245 -2.934
193 1HB PRO 31 1HB PRO 31 96.671 1.400 -2.591
194 2HB PRO 31 2HB PRO 31 95.853 -0.127 -2.937
195 1HG PRO 31 1HG PRO 31 95.605 1.199 -0.571
196 2HG PRO 31 2HG PRO 31 95.451 -0.560 -0.724
197 1HD PRO 31 1HD PRO 31 97.789 1.065 0.213
198 2HD PRO 31 2HD PRO 31 97.144 -0.461 0.860
199 H GLY 32 H GLY 32 99.474 -0.849 -4.300
200 1HA GLY 32 1HA GLY 32 100.620 0.660 -5.738
201 2HA GLY 32 2HA GLY 32 100.457 1.909 -4.515
202 H VAL 33 H VAL 33 101.651 -1.367 -4.003
203 HA VAL 33 HA VAL 33 104.393 -0.383 -3.675
204 HB VAL 33 HB VAL 33 103.567 -2.314 -1.664
205 1HG1 VAL 33 1HG1 VAL 33 105.304 -1.467 -0.545
206 2HG1 VAL 33 2HG1 VAL 33 104.860 0.198 -0.912
207 3HG1 VAL 33 3HG1 VAL 33 105.726 -0.768 -2.106
208 1HG2 VAL 33 1HG2 VAL 33 102.801 -0.193 -0.252
209 2HG2 VAL 33 2HG2 VAL 33 101.657 -1.175 -1.160
210 3HG2 VAL 33 3HG2 VAL 33 102.248 0.338 -1.838
211 H ASP 34 H ASP 34 105.805 -1.636 -4.639
212 HA ASP 34 HA ASP 34 105.307 -4.504 -4.871
213 1HB ASP 34 1HB ASP 34 104.584 -2.972 -6.960
214 2HB ASP 34 2HB ASP 34 106.292 -3.188 -7.345
215 H ARG 35 H ARG 35 107.176 -5.753 -5.152
216 HA ARG 35 HA ARG 35 109.473 -4.939 -3.881
217 1HB ARG 35 1HB ARG 35 108.895 -7.125 -5.839
218 2HB ARG 35 2HB ARG 35 110.553 -6.845 -5.328
219 1HG ARG 35 1HG ARG 35 110.216 -7.877 -3.394
220 2HG ARG 35 2HG ARG 35 108.770 -6.917 -3.061
221 1HD ARG 35 1HD ARG 35 108.225 -9.281 -3.137
222 2HD ARG 35 2HD ARG 35 107.452 -8.427 -4.469
223 HE ARG 35 HE ARG 35 109.707 -10.290 -4.665
224 1HH1 ARG 35 1HH1 ARG 35 107.336 -8.268 -6.258
225 2HH1 ARG 35 2HH1 ARG 35 107.590 -8.990 -7.809
226 1HH2 ARG 35 1HH2 ARG 35 110.033 -11.229 -6.707
227 2HH2 ARG 35 2HH2 ARG 35 109.117 -10.666 -8.065
228 H MET 36 H MET 36 108.520 -4.330 -7.154
229 HA MET 36 HA MET 36 110.940 -3.903 -8.418
230 1HB MET 36 1HB MET 36 108.267 -2.552 -8.732
231 2HB MET 36 2HB MET 36 109.635 -2.160 -9.764
232 1HG MET 36 1HG MET 36 109.479 -4.942 -9.799
233 2HG MET 36 2HG MET 36 107.806 -4.381 -9.892
234 1HE MET 36 1HE MET 36 107.164 -3.229 -13.150
235 2HE MET 36 2HE MET 36 106.702 -3.944 -11.606
236 3HE MET 36 3HE MET 36 107.339 -4.965 -12.895
237 H ARG 37 H ARG 37 109.150 -1.739 -6.268
238 HA ARG 37 HA ARG 37 111.578 -0.196 -5.854
239 1HB ARG 37 1HB ARG 37 110.218 1.957 -6.139
240 2HB ARG 37 2HB ARG 37 110.742 1.127 -7.596
241 1HG ARG 37 1HG ARG 37 108.095 0.342 -6.592
242 2HG ARG 37 2HG ARG 37 108.230 2.006 -7.162
243 1HD ARG 37 1HD ARG 37 109.124 1.204 -9.291
244 2HD ARG 37 2HD ARG 37 109.002 -0.460 -8.719
245 HE ARG 37 HE ARG 37 106.500 0.902 -8.587
246 1HH1 ARG 37 1HH1 ARG 37 108.680 -0.735 -10.766
247 2HH1 ARG 37 2HH1 ARG 37 107.429 -1.197 -11.869
248 1HH2 ARG 37 1HH2 ARG 37 104.853 0.296 -10.039
249 2HH2 ARG 37 2HH2 ARG 37 105.257 -0.610 -11.459
250 H LEU 38 H LEU 38 110.645 -1.812 -3.978
251 HA LEU 38 HA LEU 38 108.657 -0.700 -2.290
252 1HB LEU 38 1HB LEU 38 110.693 -2.860 -2.047
253 2HB LEU 38 2HB LEU 38 109.949 -2.250 -0.575
254 HG LEU 38 HG LEU 38 108.451 -3.398 -2.936
255 1HD1 LEU 38 1HD1 LEU 38 109.211 -5.323 -2.036
256 2HD1 LEU 38 2HD1 LEU 38 107.920 -5.039 -0.871
257 3HD1 LEU 38 3HD1 LEU 38 109.577 -4.579 -0.480
258 1HD2 LEU 38 1HD2 LEU 38 106.989 -3.255 -0.475
259 2HD2 LEU 38 2HD2 LEU 38 106.597 -2.588 -2.058
260 3HD2 LEU 38 3HD2 LEU 38 107.583 -1.658 -0.931
261 H GLU 39 H GLU 39 112.116 -0.260 -2.562
262 HA GLU 39 HA GLU 39 112.363 1.168 -0.088
263 1HB GLU 39 1HB GLU 39 114.631 1.346 -0.541
264 2HB GLU 39 2HB GLU 39 114.194 -0.167 -1.322
265 1HG GLU 39 1HG GLU 39 114.530 2.494 -2.686
266 2HG GLU 39 2HG GLU 39 115.682 1.161 -2.708
267 H ARG 40 H ARG 40 110.669 2.008 -2.649
268 HA ARG 40 HA ARG 40 111.507 4.830 -2.555
269 1HB ARG 40 1HB ARG 40 111.422 3.242 -4.772
270 2HB ARG 40 2HB ARG 40 109.821 3.969 -4.809
271 1HG ARG 40 1HG ARG 40 112.162 5.748 -4.383
272 2HG ARG 40 2HG ARG 40 111.880 5.097 -5.999
273 1HD ARG 40 1HD ARG 40 109.714 6.077 -6.101
274 2HD ARG 40 2HD ARG 40 109.761 6.508 -4.393
275 HE ARG 40 HE ARG 40 111.853 7.710 -5.961
276 1HH1 ARG 40 1HH1 ARG 40 108.561 8.029 -4.844
277 2HH1 ARG 40 2HH1 ARG 40 108.537 9.751 -5.020
278 1HH2 ARG 40 1HH2 ARG 40 111.821 9.975 -6.193
279 2HH2 ARG 40 2HH2 ARG 40 110.387 10.856 -5.787
280 H HIS 41 H HIS 41 109.168 2.557 -1.809
281 HA HIS 41 HA HIS 41 106.906 4.364 -1.892
282 1HB HIS 41 1HB HIS 41 107.287 1.463 -1.171
283 2HB HIS 41 2HB HIS 41 105.767 2.301 -0.904
284 HD1 HIS 41 HD1 HIS 41 105.193 3.758 -3.385
285 HD2 HIS 41 HD2 HIS 41 107.057 0.046 -3.445
286 HE1 HIS 41 HE1 HIS 41 104.805 2.847 -5.696
287 HE2 HIS 41 HE2 HIS 41 106.018 0.640 -5.737
288 H LEU 42 H LEU 42 109.448 3.835 0.153
289 HA LEU 42 HA LEU 42 108.045 4.028 2.656
290 1HB LEU 42 1HB LEU 42 110.967 4.126 1.914
291 2HB LEU 42 2HB LEU 42 110.368 4.185 3.567
292 HG LEU 42 HG LEU 42 109.320 1.916 2.062
293 1HD1 LEU 42 1HD1 LEU 42 111.968 2.478 1.502
294 2HD1 LEU 42 2HD1 LEU 42 111.153 0.924 1.316
295 3HD1 LEU 42 3HD1 LEU 42 112.043 1.279 2.798
296 1HD2 LEU 42 1HD2 LEU 42 109.228 2.416 4.529
297 2HD2 LEU 42 2HD2 LEU 42 110.932 1.963 4.580
298 3HD2 LEU 42 3HD2 LEU 42 109.719 0.787 4.069
299 H SER 43 H SER 43 108.016 5.798 4.016
300 HA SER 43 HA SER 43 108.149 8.363 2.714
301 1HB SER 43 1HB SER 43 106.337 8.229 4.183
302 2HB SER 43 2HB SER 43 107.284 7.408 5.428
303 HG SER 43 HG SER 43 106.886 9.594 5.962
304 H ALA 44 H ALA 44 109.292 10.209 3.681
305 HA ALA 44 HA ALA 44 112.013 9.866 3.794
306 1HB ALA 44 1HB ALA 44 110.598 12.032 3.639
307 2HB ALA 44 2HB ALA 44 112.190 12.101 4.395
308 3HB ALA 44 3HB ALA 44 110.739 12.051 5.397
309 H GLU 45 H GLU 45 109.688 9.448 6.339
310 HA GLU 45 HA GLU 45 111.649 9.362 8.455
311 1HB GLU 45 1HB GLU 45 109.129 8.005 9.037
312 2HB GLU 45 2HB GLU 45 109.884 9.360 9.855
313 1HG GLU 45 1HG GLU 45 109.005 10.675 7.747
314 2HG GLU 45 2HG GLU 45 107.864 9.331 7.688
315 H ASP 46 H ASP 46 109.570 7.019 6.809
316 HA ASP 46 HA ASP 46 110.581 4.707 7.988
317 1HB ASP 46 1HB ASP 46 109.506 4.980 5.174
318 2HB ASP 46 2HB ASP 46 109.584 3.500 6.129
319 H PHE 47 H PHE 47 111.464 6.166 4.840
320 HA PHE 47 HA PHE 47 113.497 4.384 4.188
321 1HB PHE 47 1HB PHE 47 112.383 6.285 2.805
322 2HB PHE 47 2HB PHE 47 113.658 7.299 3.483
323 HD1 PHE 47 HD1 PHE 47 113.117 4.128 1.640
324 HD2 PHE 47 HD2 PHE 47 115.726 7.382 2.471
325 HE1 PHE 47 HE1 PHE 47 114.679 3.329 -0.107
326 HE2 PHE 47 HE2 PHE 47 117.285 6.593 0.737
327 HZ PHE 47 HZ PHE 47 116.758 4.570 -0.558
328 H SER 48 H SER 48 113.780 7.592 5.712
329 HA SER 48 HA SER 48 116.547 7.418 6.189
330 1HB SER 48 1HB SER 48 115.057 9.505 6.203
331 2HB SER 48 2HB SER 48 114.640 9.053 7.857
332 HG SER 48 HG SER 48 116.420 10.010 8.398
333 H ARG 49 H ARG 49 113.940 5.849 7.712
334 HA ARG 49 HA ARG 49 115.340 5.539 10.250
335 1HB ARG 49 1HB ARG 49 112.925 5.951 10.302
336 2HB ARG 49 2HB ARG 49 112.647 4.499 9.350
337 1HG ARG 49 1HG ARG 49 112.273 3.587 11.368
338 2HG ARG 49 2HG ARG 49 114.032 3.446 11.397
339 1HD ARG 49 1HD ARG 49 114.204 5.532 12.624
340 2HD ARG 49 2HD ARG 49 112.455 5.752 12.536
341 HE ARG 49 HE ARG 49 113.247 3.289 13.787
342 1HH1 ARG 49 1HH1 ARG 49 112.626 6.685 14.298
343 2HH1 ARG 49 2HH1 ARG 49 112.283 6.496 15.986
344 1HH2 ARG 49 1HH2 ARG 49 112.795 3.039 16.005
345 2HH2 ARG 49 2HH2 ARG 49 112.379 4.426 16.955
346 H VAL 50 H VAL 50 114.442 3.665 7.408
347 HA VAL 50 HA VAL 50 115.513 1.220 8.565
348 HB VAL 50 HB VAL 50 114.564 1.566 5.727
349 1HG1 VAL 50 1HG1 VAL 50 115.885 -0.476 6.559
350 2HG1 VAL 50 2HG1 VAL 50 114.392 -0.752 5.662
351 3HG1 VAL 50 3HG1 VAL 50 114.405 -0.900 7.419
352 1HG2 VAL 50 1HG2 VAL 50 112.732 0.419 7.746
353 2HG2 VAL 50 2HG2 VAL 50 112.380 1.351 6.290
354 3HG2 VAL 50 3HG2 VAL 50 112.929 2.171 7.753
355 H PHE 51 H PHE 51 116.365 3.611 6.123
356 HA PHE 51 HA PHE 51 118.847 2.129 5.586
357 1HB PHE 51 1HB PHE 51 117.554 4.344 3.986
358 2HB PHE 51 2HB PHE 51 119.025 3.479 3.544
359 HD1 PHE 51 HD1 PHE 51 115.708 3.742 2.803
360 HD2 PHE 51 HD2 PHE 51 118.614 0.773 3.694
361 HE1 PHE 51 HE1 PHE 51 114.371 2.073 1.575
362 HE2 PHE 51 HE2 PHE 51 117.286 -0.898 2.467
363 HZ PHE 51 HZ PHE 51 115.170 -0.242 1.404
364 H ALA 52 H ALA 52 117.601 5.274 6.589
365 HA ALA 52 HA ALA 52 118.614 6.933 7.817
366 1HB ALA 52 1HB ALA 52 121.237 5.506 7.662
367 2HB ALA 52 2HB ALA 52 119.969 4.962 8.761
368 3HB ALA 52 3HB ALA 52 120.636 6.587 8.920
369 H MET 53 H MET 53 118.789 6.431 4.799
370 HA MET 53 HA MET 53 120.640 8.639 4.216
371 1HB MET 53 1HB MET 53 120.742 7.165 1.934
372 2HB MET 53 2HB MET 53 121.959 7.143 3.206
373 1HG MET 53 1HG MET 53 121.330 5.101 3.974
374 2HG MET 53 2HG MET 53 119.646 5.314 3.491
375 1HE MET 53 1HE MET 53 119.003 5.609 1.011
376 2HE MET 53 2HE MET 53 119.794 4.767 -0.324
377 3HE MET 53 3HE MET 53 120.449 6.291 0.262
378 H SER 54 H SER 54 120.178 9.726 2.198
379 HA SER 54 HA SER 54 117.427 10.388 2.034
380 1HB SER 54 1HB SER 54 119.198 12.037 1.668
381 2HB SER 54 2HB SER 54 119.747 11.144 0.243
382 HG SER 54 HG SER 54 117.191 12.349 0.575
383 HA PRO 55 HA PRO 55 115.840 7.466 -0.915
384 1HB PRO 55 1HB PRO 55 114.507 9.884 -2.050
385 2HB PRO 55 2HB PRO 55 113.809 8.322 -1.612
386 1HG PRO 55 1HG PRO 55 113.463 10.464 -0.056
387 2HG PRO 55 2HG PRO 55 113.698 8.848 0.639
388 1HD PRO 55 1HD PRO 55 115.588 11.142 0.495
389 2HD PRO 55 2HD PRO 55 115.445 9.867 1.724
390 H GLU 56 H GLU 56 117.246 10.541 -1.804
391 HA GLU 56 HA GLU 56 117.705 9.796 -4.550
392 1HB GLU 56 1HB GLU 56 118.686 11.930 -4.815
393 2HB GLU 56 2HB GLU 56 117.364 12.174 -3.678
394 1HG GLU 56 1HG GLU 56 119.113 11.921 -1.845
395 2HG GLU 56 2HG GLU 56 120.311 12.106 -3.130
396 H GLU 57 H GLU 57 119.431 9.787 -1.507
397 HA GLU 57 HA GLU 57 122.034 9.417 -2.395
398 1HB GLU 57 1HB GLU 57 120.577 8.691 0.132
399 2HB GLU 57 2HB GLU 57 122.139 7.942 -0.172
400 1HG GLU 57 1HG GLU 57 121.793 10.901 -0.377
401 2HG GLU 57 2HG GLU 57 122.055 10.112 1.178
402 H PHE 58 H PHE 58 119.609 6.905 -1.608
403 HA PHE 58 HA PHE 58 120.952 4.593 -2.178
404 1HB PHE 58 1HB PHE 58 118.353 5.225 -1.713
405 2HB PHE 58 2HB PHE 58 118.258 4.799 -3.420
406 HD1 PHE 58 HD1 PHE 58 118.353 3.577 -0.071
407 HD2 PHE 58 HD2 PHE 58 119.144 2.511 -4.115
408 HE1 PHE 58 HE1 PHE 58 118.226 1.203 0.541
409 HE2 PHE 58 HE2 PHE 58 119.013 0.129 -3.510
410 HZ PHE 58 HZ PHE 58 118.556 -0.530 -1.182
411 H GLY 59 H GLY 59 119.056 6.362 -4.642
412 1HA GLY 59 1HA GLY 59 119.880 4.886 -6.846
413 2HA GLY 59 2HA GLY 59 119.337 6.556 -6.911
414 H LYS 60 H LYS 60 121.644 7.267 -5.057
415 HA LYS 60 HA LYS 60 123.635 7.489 -7.195
416 1HB LYS 60 1HB LYS 60 122.964 9.128 -4.790
417 2HB LYS 60 2HB LYS 60 124.611 9.180 -5.416
418 1HG LYS 60 1HG LYS 60 123.175 9.529 -7.692
419 2HG LYS 60 2HG LYS 60 122.138 10.322 -6.500
420 1HD LYS 60 1HD LYS 60 123.487 12.083 -7.011
421 2HD LYS 60 2HD LYS 60 124.475 11.352 -5.743
422 1HE LYS 60 1HE LYS 60 124.998 10.184 -8.348
423 2HE LYS 60 2HE LYS 60 125.266 11.926 -8.339
424 1HZ LYS 60 1HZ LYS 60 127.276 10.779 -7.738
425 2HZ LYS 60 2HZ LYS 60 126.491 9.953 -6.488
426 3HZ LYS 60 3HZ LYS 60 126.702 11.629 -6.391
427 H LEU 61 H LEU 61 123.071 5.406 -4.763
428 HA LEU 61 HA LEU 61 125.678 5.290 -3.589
429 1HB LEU 61 1HB LEU 61 123.293 3.438 -3.445
430 2HB LEU 61 2HB LEU 61 124.733 3.279 -2.465
431 HG LEU 61 HG LEU 61 122.689 5.456 -2.347
432 1HD1 LEU 61 1HD1 LEU 61 123.496 4.206 0.117
433 2HD1 LEU 61 2HD1 LEU 61 122.916 3.024 -1.056
434 3HD1 LEU 61 3HD1 LEU 61 121.894 4.379 -0.596
435 1HD2 LEU 61 1HD2 LEU 61 124.620 6.704 -2.060
436 2HD2 LEU 61 2HD2 LEU 61 125.481 5.373 -1.286
437 3HD2 LEU 61 3HD2 LEU 61 124.219 6.236 -0.407
438 H ALA 62 H ALA 62 125.544 2.288 -3.649
439 HA ALA 62 HA ALA 62 126.467 1.834 -6.401
440 1HB ALA 62 1HB ALA 62 127.771 0.588 -3.999
441 2HB ALA 62 2HB ALA 62 128.331 2.096 -4.719
442 3HB ALA 62 3HB ALA 62 128.346 0.607 -5.664
443 H LEU 63 H LEU 63 126.688 -0.580 -6.863
444 HA LEU 63 HA LEU 63 124.159 -1.796 -6.519
445 1HB LEU 63 1HB LEU 63 125.825 -2.091 -8.415
446 2HB LEU 63 2HB LEU 63 126.673 -3.209 -7.363
447 HG LEU 63 HG LEU 63 123.895 -3.918 -7.458
448 1HD1 LEU 63 1HD1 LEU 63 123.728 -4.539 -9.812
449 2HD1 LEU 63 2HD1 LEU 63 125.256 -3.722 -10.139
450 3HD1 LEU 63 3HD1 LEU 63 123.852 -2.792 -9.612
451 1HD2 LEU 63 1HD2 LEU 63 125.990 -5.544 -8.780
452 2HD2 LEU 63 2HD2 LEU 63 124.741 -6.019 -7.629
453 3HD2 LEU 63 3HD2 LEU 63 126.193 -5.192 -7.063
454 H TRP 64 H TRP 64 127.139 -2.034 -4.743
455 HA TRP 64 HA TRP 64 126.317 -4.402 -3.310
456 1HB TRP 64 1HB TRP 64 128.507 -3.960 -2.123
457 2HB TRP 64 2HB TRP 64 128.645 -4.233 -3.866
458 HD1 TRP 64 HD1 TRP 64 129.596 -2.250 -5.306
459 HE1 TRP 64 HE1 TRP 64 130.485 0.091 -4.727
460 HE3 TRP 64 HE3 TRP 64 128.029 -2.049 -0.574
461 HZ2 TRP 64 HZ2 TRP 64 130.509 1.805 -2.429
462 HZ3 TRP 64 HZ3 TRP 64 128.520 -0.027 0.789
463 HH2 TRP 64 HH2 TRP 64 129.719 1.852 -0.133
464 H LYS 65 H LYS 65 126.550 -0.960 -2.995
465 HA LYS 65 HA LYS 65 125.965 -0.849 -0.194
466 1HB LYS 65 1HB LYS 65 126.903 0.979 -1.955
467 2HB LYS 65 2HB LYS 65 125.204 1.444 -1.915
468 1HG LYS 65 1HG LYS 65 126.954 1.178 0.522
469 2HG LYS 65 2HG LYS 65 126.618 2.695 -0.317
470 1HD LYS 65 1HD LYS 65 124.138 2.071 0.051
471 2HD LYS 65 2HD LYS 65 124.762 0.950 1.265
472 1HE LYS 65 1HE LYS 65 125.663 3.797 1.293
473 2HE LYS 65 2HE LYS 65 124.063 3.388 1.928
474 1HZ LYS 65 1HZ LYS 65 125.558 1.548 3.131
475 2HZ LYS 65 2HZ LYS 65 125.233 3.065 3.808
476 3HZ LYS 65 3HZ LYS 65 126.695 2.794 3.004
477 H ARG 66 H ARG 66 124.034 -0.102 -3.103
478 HA ARG 66 HA ARG 66 121.559 0.278 -1.943
479 1HB ARG 66 1HB ARG 66 122.237 -1.070 -4.559
480 2HB ARG 66 2HB ARG 66 120.616 -0.570 -4.103
481 1HG ARG 66 1HG ARG 66 121.335 1.741 -4.001
482 2HG ARG 66 2HG ARG 66 122.983 1.251 -4.399
483 1HD ARG 66 1HD ARG 66 120.611 0.702 -6.175
484 2HD ARG 66 2HD ARG 66 121.620 2.149 -6.321
485 HE ARG 66 HE ARG 66 123.330 -0.025 -6.390
486 1HH1 ARG 66 1HH1 ARG 66 120.683 1.214 -8.295
487 2HH1 ARG 66 2HH1 ARG 66 121.278 0.552 -9.781
488 1HH2 ARG 66 1HH2 ARG 66 124.115 -0.898 -8.341
489 2HH2 ARG 66 2HH2 ARG 66 123.227 -0.649 -9.807
490 H ASN 67 H ASN 67 123.102 -2.708 -2.956
491 HA ASN 67 HA ASN 67 121.035 -4.496 -2.387
492 1HB ASN 67 1HB ASN 67 123.944 -4.669 -2.781
493 2HB ASN 67 2HB ASN 67 123.277 -5.956 -1.775
494 1HD2 ASN 67 1HD2 ASN 67 122.669 -4.253 -4.823
495 2HD2 ASN 67 2HD2 ASN 67 122.136 -5.646 -5.694
496 H GLU 68 H GLU 68 123.901 -4.036 -0.327
497 HA GLU 68 HA GLU 68 123.143 -5.318 1.917
498 1HB GLU 68 1HB GLU 68 125.168 -3.569 1.260
499 2HB GLU 68 2HB GLU 68 124.349 -2.739 2.575
500 1HG GLU 68 1HG GLU 68 125.469 -5.531 2.657
501 2HG GLU 68 2HG GLU 68 126.166 -4.098 3.412
502 H LEU 69 H LEU 69 122.118 -2.047 1.013
503 HA LEU 69 HA LEU 69 120.785 -1.458 3.425
504 1HB LEU 69 1HB LEU 69 119.984 -0.443 0.713
505 2HB LEU 69 2HB LEU 69 119.737 0.328 2.268
506 HG LEU 69 HG LEU 69 122.508 -0.211 1.466
507 1HD1 LEU 69 1HD1 LEU 69 120.792 1.051 -0.312
508 2HD1 LEU 69 2HD1 LEU 69 122.552 1.078 -0.334
509 3HD1 LEU 69 3HD1 LEU 69 121.660 2.352 0.491
510 1HD2 LEU 69 1HD2 LEU 69 122.585 0.874 3.443
511 2HD2 LEU 69 2HD2 LEU 69 121.007 1.625 3.208
512 3HD2 LEU 69 3HD2 LEU 69 122.431 2.300 2.416
513 H LYS 70 H LYS 70 119.395 -2.318 0.293
514 HA LYS 70 HA LYS 70 116.793 -2.904 1.233
515 1HB LYS 70 1HB LYS 70 118.371 -3.591 -1.217
516 2HB LYS 70 2HB LYS 70 116.845 -4.406 -0.930
517 1HG LYS 70 1HG LYS 70 115.610 -2.553 -1.335
518 2HG LYS 70 2HG LYS 70 116.844 -1.461 -0.694
519 1HD LYS 70 1HD LYS 70 116.702 -1.090 -3.050
520 2HD LYS 70 2HD LYS 70 118.211 -1.948 -2.736
521 1HE LYS 70 1HE LYS 70 116.148 -3.866 -3.167
522 2HE LYS 70 2HE LYS 70 116.091 -2.679 -4.470
523 1HZ LYS 70 1HZ LYS 70 118.562 -4.087 -3.623
524 2HZ LYS 70 2HZ LYS 70 118.366 -3.099 -4.981
525 3HZ LYS 70 3HZ LYS 70 117.577 -4.594 -4.904
526 H LYS 71 H LYS 71 119.758 -4.609 1.412
527 HA LYS 71 HA LYS 71 118.584 -7.214 1.829
528 1HB LYS 71 1HB LYS 71 121.410 -6.136 1.930
529 2HB LYS 71 2HB LYS 71 121.016 -7.808 2.333
530 1HG LYS 71 1HG LYS 71 119.927 -6.890 -0.221
531 2HG LYS 71 2HG LYS 71 121.688 -6.895 -0.137
532 1HD LYS 71 1HD LYS 71 120.058 -9.264 0.731
533 2HD LYS 71 2HD LYS 71 120.535 -9.030 -0.952
534 1HE LYS 71 1HE LYS 71 122.448 -9.120 1.376
535 2HE LYS 71 2HE LYS 71 122.082 -10.490 0.330
536 1HZ LYS 71 1HZ LYS 71 123.843 -9.731 -0.809
537 2HZ LYS 71 2HZ LYS 71 123.737 -8.167 -0.175
538 3HZ LYS 71 3HZ LYS 71 122.742 -8.626 -1.464
539 H LYS 72 H LYS 72 119.780 -4.556 3.742
540 HA LYS 72 HA LYS 72 119.566 -6.101 6.203
541 1HB LYS 72 1HB LYS 72 121.565 -4.773 6.053
542 2HB LYS 72 2HB LYS 72 120.642 -3.339 5.626
543 1HG LYS 72 1HG LYS 72 119.743 -4.395 8.146
544 2HG LYS 72 2HG LYS 72 121.491 -4.134 8.167
545 1HD LYS 72 1HD LYS 72 121.157 -1.951 8.430
546 2HD LYS 72 2HD LYS 72 120.292 -1.894 6.895
547 1HE LYS 72 1HE LYS 72 118.800 -1.032 8.503
548 2HE LYS 72 2HE LYS 72 118.250 -2.674 8.174
549 1HZ LYS 72 1HZ LYS 72 118.252 -2.808 10.403
550 2HZ LYS 72 2HZ LYS 72 119.357 -1.544 10.605
551 3HZ LYS 72 3HZ LYS 72 119.909 -3.095 10.215
552 H ALA 73 H ALA 73 117.946 -3.783 4.297
553 HA ALA 73 HA ALA 73 116.241 -2.735 6.358
554 1HB ALA 73 1HB ALA 73 116.578 -2.381 3.435
555 2HB ALA 73 2HB ALA 73 116.499 -1.172 4.715
556 3HB ALA 73 3HB ALA 73 115.022 -1.946 4.140
557 H GLU 74 H GLU 74 116.366 -5.711 5.044
558 HA GLU 74 HA GLU 74 114.911 -7.454 5.006
559 1HB GLU 74 1HB GLU 74 112.855 -5.515 6.083
560 2HB GLU 74 2HB GLU 74 112.749 -7.267 6.104
561 1HG GLU 74 1HG GLU 74 114.742 -5.588 7.604
562 2HG GLU 74 2HG GLU 74 113.346 -6.421 8.287
563 H LEU 75 H LEU 75 115.028 -5.126 2.932
564 HA LEU 75 HA LEU 75 112.891 -6.231 1.307
565 1HB LEU 75 1HB LEU 75 112.904 -3.593 0.500
566 2HB LEU 75 2HB LEU 75 111.649 -4.401 1.432
567 HG LEU 75 HG LEU 75 113.567 -3.575 3.285
568 1HD1 LEU 75 1HD1 LEU 75 114.656 -2.053 1.895
569 2HD1 LEU 75 2HD1 LEU 75 113.485 -1.067 2.775
570 3HD1 LEU 75 3HD1 LEU 75 113.154 -1.560 1.109
571 1HD2 LEU 75 1HD2 LEU 75 111.444 -3.442 4.067
572 2HD2 LEU 75 2HD2 LEU 75 110.795 -2.891 2.522
573 3HD2 LEU 75 3HD2 LEU 75 111.632 -1.756 3.583
574 H PHE 76 H PHE 76 114.905 -7.347 0.550
575 HA PHE 76 HA PHE 76 116.052 -5.793 -1.672
576 1HB PHE 76 1HB PHE 76 118.031 -6.129 -0.615
577 2HB PHE 76 2HB PHE 76 117.401 -7.458 0.360
578 HD1 PHE 76 HD1 PHE 76 119.125 -6.513 -2.701
579 HD2 PHE 76 HD2 PHE 76 117.436 -9.749 -0.513
580 HE1 PHE 76 HE1 PHE 76 120.332 -8.108 -4.133
581 HE2 PHE 76 HE2 PHE 76 118.641 -11.349 -1.941
582 HZ PHE 76 HZ PHE 76 120.092 -10.528 -3.754
Start of MODEL 10
1 HT1 PRO 9 HT1 PRO 9 101.357 13.616 -7.528
2 HT2 PRO 9 HT2 PRO 9 102.685 13.697 -6.560
3 HA PRO 9 HA PRO 9 102.409 13.821 -9.315
4 1HB PRO 9 1HB PRO 9 104.715 15.398 -8.796
5 2HB PRO 9 2HB PRO 9 103.259 15.868 -9.682
6 1HG PRO 9 1HG PRO 9 103.973 16.329 -6.838
7 2HG PRO 9 2HG PRO 9 102.990 17.320 -7.928
8 1HD PRO 9 1HD PRO 9 101.845 15.885 -5.995
9 2HD PRO 9 2HD PRO 9 101.082 16.018 -7.592
10 H GLY 10 H GLY 10 102.832 11.834 -7.365
11 1HA GLY 10 1HA GLY 10 105.375 10.800 -8.280
12 2HA GLY 10 2HA GLY 10 105.309 11.124 -6.555
13 H LEU 11 H LEU 11 105.252 9.199 -5.638
14 HA LEU 11 HA LEU 11 103.207 7.298 -6.561
15 1HB LEU 11 1HB LEU 11 104.894 5.731 -5.156
16 2HB LEU 11 2HB LEU 11 104.956 5.942 -6.895
17 HG LEU 11 HG LEU 11 106.588 7.929 -6.238
18 1HD1 LEU 11 1HD1 LEU 11 108.015 6.952 -4.307
19 2HD1 LEU 11 2HD1 LEU 11 106.518 6.144 -3.841
20 3HD1 LEU 11 3HD1 LEU 11 106.581 7.905 -3.924
21 1HD2 LEU 11 1HD2 LEU 11 108.237 6.607 -7.045
22 2HD2 LEU 11 2HD2 LEU 11 106.875 5.550 -7.413
23 3HD2 LEU 11 3HD2 LEU 11 107.844 5.268 -5.967
24 H GLN 12 H GLN 12 102.422 5.819 -4.828
25 HA GLN 12 HA GLN 12 101.579 7.384 -2.575
26 1HB GLN 12 1HB GLN 12 100.622 4.975 -1.932
27 2HB GLN 12 2HB GLN 12 99.841 6.018 -3.108
28 1HG GLN 12 1HG GLN 12 101.887 4.101 -4.083
29 2HG GLN 12 2HG GLN 12 100.320 3.469 -3.584
30 1HE2 GLN 12 1HE2 GLN 12 98.747 3.472 -5.026
31 2HE2 GLN 12 2HE2 GLN 12 98.726 4.376 -6.498
32 H ILE 13 H ILE 13 102.340 7.398 -0.564
33 HA ILE 13 HA ILE 13 104.642 5.691 0.036
34 HB ILE 13 HB ILE 13 103.752 7.950 1.787
35 1HG1 ILE 13 1HG1 ILE 13 103.892 8.723 -0.625
36 2HG1 ILE 13 2HG1 ILE 13 104.971 9.542 0.502
37 1HG2 ILE 13 1HG2 ILE 13 106.302 8.077 2.025
38 2HG2 ILE 13 2HG2 ILE 13 106.317 6.503 1.231
39 3HG2 ILE 13 3HG2 ILE 13 105.470 6.707 2.765
40 1HD1 ILE 13 1HD1 ILE 13 106.092 9.052 -1.590
41 2HD1 ILE 13 2HD1 ILE 13 105.745 7.334 -1.387
42 3HD1 ILE 13 3HD1 ILE 13 106.823 8.156 -0.257
43 H TYR 14 H TYR 14 104.519 4.079 1.465
44 HA TYR 14 HA TYR 14 102.255 4.025 3.351
45 1HB TYR 14 1HB TYR 14 103.390 1.652 1.852
46 2HB TYR 14 2HB TYR 14 102.062 1.609 3.008
47 HD1 TYR 14 HD1 TYR 14 103.029 2.224 -0.415
48 HD2 TYR 14 HD2 TYR 14 99.897 2.720 2.422
49 HE1 TYR 14 HE1 TYR 14 101.436 2.601 -2.248
50 HE2 TYR 14 HE2 TYR 14 98.295 3.100 0.598
51 HH TYR 14 HH TYR 14 98.011 2.746 -1.711
52 HA PRO 15 HA PRO 15 104.936 3.210 6.757
53 1HB PRO 15 1HB PRO 15 103.993 0.643 7.502
54 2HB PRO 15 2HB PRO 15 103.483 2.199 8.169
55 1HG PRO 15 1HG PRO 15 102.193 0.513 6.090
56 2HG PRO 15 2HG PRO 15 101.455 1.602 7.277
57 1HD PRO 15 1HD PRO 15 101.621 2.265 4.688
58 2HD PRO 15 2HD PRO 15 101.825 3.482 5.967
59 H TYR 16 H TYR 16 106.555 1.544 7.579
60 HA TYR 16 HA TYR 16 107.933 0.461 5.289
61 1HB TYR 16 1HB TYR 16 109.383 1.557 6.746
62 2HB TYR 16 2HB TYR 16 108.607 0.887 8.180
63 HD1 TYR 16 HD1 TYR 16 110.887 0.122 5.377
64 HD2 TYR 16 HD2 TYR 16 109.297 -1.158 9.098
65 HE1 TYR 16 HE1 TYR 16 112.599 -1.637 5.473
66 HE2 TYR 16 HE2 TYR 16 111.006 -2.929 9.229
67 HH TYR 16 HH TYR 16 113.394 -3.249 8.230
68 H GLU 17 H GLU 17 107.005 -0.889 8.470
69 HA GLU 17 HA GLU 17 107.561 -3.529 8.092
70 1HB GLU 17 1HB GLU 17 105.247 -2.233 9.522
71 2HB GLU 17 2HB GLU 17 105.500 -3.972 9.554
72 1HG GLU 17 1HG GLU 17 107.567 -3.747 10.678
73 2HG GLU 17 2HG GLU 17 107.602 -2.002 10.403
74 H MET 18 H MET 18 104.521 -1.931 7.120
75 HA MET 18 HA MET 18 103.392 -4.257 5.951
76 1HB MET 18 1HB MET 18 102.768 -1.362 6.002
77 2HB MET 18 2HB MET 18 102.121 -2.267 4.642
78 1HG MET 18 1HG MET 18 101.380 -3.913 6.586
79 2HG MET 18 2HG MET 18 101.447 -2.415 7.520
80 1HE MET 18 1HE MET 18 97.766 -1.962 7.187
81 2HE MET 18 2HE MET 18 99.233 -1.871 8.161
82 3HE MET 18 3HE MET 18 98.590 -3.441 7.680
83 H LEU 19 H LEU 19 105.620 -1.844 4.852
84 HA LEU 19 HA LEU 19 105.391 -2.610 2.069
85 1HB LEU 19 1HB LEU 19 106.922 -0.561 3.604
86 2HB LEU 19 2HB LEU 19 107.425 -0.971 1.971
87 HG LEU 19 HG LEU 19 104.720 0.100 2.779
88 1HD1 LEU 19 1HD1 LEU 19 106.677 1.682 2.842
89 2HD1 LEU 19 2HD1 LEU 19 105.365 2.131 1.752
90 3HD1 LEU 19 3HD1 LEU 19 106.842 1.417 1.106
91 1HD2 LEU 19 1HD2 LEU 19 105.811 -1.026 0.263
92 2HD2 LEU 19 2HD2 LEU 19 104.717 0.355 0.156
93 3HD2 LEU 19 3HD2 LEU 19 104.187 -1.134 0.941
94 H VAL 20 H VAL 20 106.903 -3.969 4.688
95 HA VAL 20 HA VAL 20 109.494 -4.510 3.732
96 HB VAL 20 HB VAL 20 107.897 -6.381 5.484
97 1HG1 VAL 20 1HG1 VAL 20 110.769 -5.975 4.866
98 2HG1 VAL 20 2HG1 VAL 20 109.868 -7.473 5.106
99 3HG1 VAL 20 3HG1 VAL 20 110.319 -6.478 6.495
100 1HG2 VAL 20 1HG2 VAL 20 109.641 -4.253 6.609
101 2HG2 VAL 20 2HG2 VAL 20 108.285 -5.108 7.342
102 3HG2 VAL 20 3HG2 VAL 20 107.992 -3.856 6.141
103 H VAL 21 H VAL 21 110.243 -6.789 3.062
104 HA VAL 21 HA VAL 21 108.437 -7.642 0.919
105 HB VAL 21 HB VAL 21 111.372 -8.229 1.261
106 1HG1 VAL 21 1HG1 VAL 21 111.011 -8.517 -1.332
107 2HG1 VAL 21 2HG1 VAL 21 109.358 -8.875 -0.831
108 3HG1 VAL 21 3HG1 VAL 21 110.697 -9.843 -0.212
109 1HG2 VAL 21 1HG2 VAL 21 110.068 -6.170 -0.509
110 2HG2 VAL 21 2HG2 VAL 21 111.795 -6.461 -0.308
111 3HG2 VAL 21 3HG2 VAL 21 110.851 -5.811 1.032
112 H THR 22 H THR 22 110.895 -9.390 2.859
113 HA THR 22 HA THR 22 109.112 -11.723 2.773
114 HB THR 22 HB THR 22 112.094 -11.504 3.159
115 HG1 THR 22 HG1 THR 22 112.173 -12.463 1.180
116 1HG2 THR 22 1HG2 THR 22 111.443 -13.348 4.522
117 2HG2 THR 22 2HG2 THR 22 112.105 -13.985 3.017
118 3HG2 THR 22 3HG2 THR 22 110.360 -13.958 3.271
119 H ASN 23 H ASN 23 111.340 -10.109 5.000
120 HA ASN 23 HA ASN 23 111.073 -11.496 7.277
121 1HB ASN 23 1HB ASN 23 111.074 -8.488 7.018
122 2HB ASN 23 2HB ASN 23 111.403 -9.367 8.514
123 1HD2 ASN 23 1HD2 ASN 23 112.541 -8.702 5.269
124 2HD2 ASN 23 2HD2 ASN 23 114.179 -9.179 5.543
125 H LYS 24 H LYS 24 108.530 -9.520 5.897
126 HA LYS 24 HA LYS 24 106.872 -10.059 8.267
127 1HB LYS 24 1HB LYS 24 107.073 -7.792 6.421
128 2HB LYS 24 2HB LYS 24 105.417 -8.292 6.747
129 1HG LYS 24 1HG LYS 24 106.364 -6.493 8.240
130 2HG LYS 24 2HG LYS 24 105.636 -7.879 9.053
131 1HD LYS 24 1HD LYS 24 107.709 -7.260 10.150
132 2HD LYS 24 2HD LYS 24 107.881 -8.838 9.383
133 1HE LYS 24 1HE LYS 24 109.720 -8.041 8.413
134 2HE LYS 24 2HE LYS 24 108.659 -7.045 7.421
135 1HZ LYS 24 1HZ LYS 24 110.060 -6.290 9.917
136 2HZ LYS 24 2HZ LYS 24 108.786 -5.372 9.287
137 3HZ LYS 24 3HZ LYS 24 110.200 -5.585 8.384
138 H GLY 25 H GLY 25 107.445 -11.962 6.080
139 1HA GLY 25 1HA GLY 25 105.820 -13.709 5.587
140 2HA GLY 25 2HA GLY 25 104.647 -12.442 5.266
141 H ARG 26 H ARG 26 104.434 -11.673 3.251
142 HA ARG 26 HA ARG 26 106.476 -12.418 1.276
143 1HB ARG 26 1HB ARG 26 103.601 -12.392 0.476
144 2HB ARG 26 2HB ARG 26 104.941 -13.295 -0.199
145 1HG ARG 26 1HG ARG 26 103.789 -14.979 0.814
146 2HG ARG 26 2HG ARG 26 104.887 -14.520 2.117
147 1HD ARG 26 1HD ARG 26 103.126 -13.114 3.092
148 2HD ARG 26 2HD ARG 26 102.036 -13.587 1.795
149 HE ARG 26 HE ARG 26 102.989 -15.900 3.063
150 1HH1 ARG 26 1HH1 ARG 26 100.905 -13.173 3.691
151 2HH1 ARG 26 2HH1 ARG 26 99.892 -14.042 4.794
152 1HH2 ARG 26 1HH2 ARG 26 101.656 -17.046 4.512
153 2HH2 ARG 26 2HH2 ARG 26 100.318 -16.241 5.261
154 H THR 27 H THR 27 104.964 -11.181 -0.913
155 HA THR 27 HA THR 27 105.907 -8.564 -0.577
156 HB THR 27 HB THR 27 105.604 -9.701 -2.785
157 HG1 THR 27 HG1 THR 27 105.091 -7.787 -3.838
158 1HG2 THR 27 1HG2 THR 27 103.247 -10.461 -2.392
159 2HG2 THR 27 2HG2 THR 27 103.560 -9.683 -3.943
160 3HG2 THR 27 3HG2 THR 27 102.753 -8.787 -2.657
161 H LYS 28 H LYS 28 102.476 -9.553 -0.887
162 HA LYS 28 HA LYS 28 100.573 -8.471 -0.230
163 1HB LYS 28 1HB LYS 28 102.388 -8.593 2.142
164 2HB LYS 28 2HB LYS 28 100.751 -7.970 2.286
165 1HG LYS 28 1HG LYS 28 100.720 -10.260 2.913
166 2HG LYS 28 2HG LYS 28 99.913 -10.109 1.350
167 1HD LYS 28 1HD LYS 28 102.638 -10.536 0.785
168 2HD LYS 28 2HD LYS 28 102.216 -11.661 2.072
169 1HE LYS 28 1HE LYS 28 101.770 -12.796 0.043
170 2HE LYS 28 2HE LYS 28 100.205 -12.316 0.694
171 1HZ LYS 28 1HZ LYS 28 100.013 -11.694 -1.485
172 2HZ LYS 28 2HZ LYS 28 101.643 -11.277 -1.645
173 3HZ LYS 28 3HZ LYS 28 100.587 -10.252 -0.815
174 H LEU 29 H LEU 29 102.735 -6.670 -1.325
175 HA LEU 29 HA LEU 29 102.878 -4.273 0.044
176 1HB LEU 29 1HB LEU 29 103.239 -5.203 -2.716
177 2HB LEU 29 2HB LEU 29 102.948 -3.491 -2.546
178 HG LEU 29 HG LEU 29 105.257 -3.722 -2.606
179 1HD1 LEU 29 1HD1 LEU 29 104.522 -3.607 0.314
180 2HD1 LEU 29 2HD1 LEU 29 104.511 -2.251 -0.809
181 3HD1 LEU 29 3HD1 LEU 29 106.028 -3.044 -0.396
182 1HD2 LEU 29 1HD2 LEU 29 106.050 -5.769 -2.306
183 2HD2 LEU 29 2HD2 LEU 29 104.719 -6.220 -1.243
184 3HD2 LEU 29 3HD2 LEU 29 106.115 -5.365 -0.592
185 HA PRO 30 HA PRO 30 98.872 -2.393 -0.222
186 1HB PRO 30 1HB PRO 30 100.383 0.110 -0.748
187 2HB PRO 30 2HB PRO 30 99.200 -0.243 0.519
188 1HG PRO 30 1HG PRO 30 101.823 -0.062 1.056
189 2HG PRO 30 2HG PRO 30 100.771 -1.214 1.903
190 1HD PRO 30 1HD PRO 30 102.766 -1.704 -0.259
191 2HD PRO 30 2HD PRO 30 102.309 -2.732 1.113
192 HA PRO 31 HA PRO 31 97.963 -1.535 -4.470
193 1HB PRO 31 1HB PRO 31 97.058 1.231 -4.110
194 2HB PRO 31 2HB PRO 31 96.124 -0.208 -4.539
195 1HG PRO 31 1HG PRO 31 95.892 0.996 -2.134
196 2HG PRO 31 2HG PRO 31 95.712 -0.756 -2.341
197 1HD PRO 31 1HD PRO 31 98.062 0.802 -1.328
198 2HD PRO 31 2HD PRO 31 97.385 -0.730 -0.734
199 H GLY 32 H GLY 32 99.791 -1.439 -5.701
200 1HA GLY 32 1HA GLY 32 101.035 -0.243 -7.306
201 2HA GLY 32 2HA GLY 32 100.731 1.232 -6.412
202 H VAL 33 H VAL 33 102.174 -1.837 -5.275
203 HA VAL 33 HA VAL 33 104.705 -0.402 -4.906
204 HB VAL 33 HB VAL 33 104.319 -2.294 -2.790
205 1HG1 VAL 33 1HG1 VAL 33 104.620 0.561 -2.219
206 2HG1 VAL 33 2HG1 VAL 33 105.852 -0.164 -3.250
207 3HG1 VAL 33 3HG1 VAL 33 105.550 -0.822 -1.646
208 1HG2 VAL 33 1HG2 VAL 33 102.091 -0.483 -3.299
209 2HG2 VAL 33 2HG2 VAL 33 102.771 -0.343 -1.682
210 3HG2 VAL 33 3HG2 VAL 33 102.187 -1.902 -2.258
211 H ASP 34 H ASP 34 106.409 -1.407 -5.623
212 HA ASP 34 HA ASP 34 106.354 -4.333 -5.888
213 1HB ASP 34 1HB ASP 34 105.980 -2.929 -8.071
214 2HB ASP 34 2HB ASP 34 107.718 -2.645 -7.961
215 H ARG 35 H ARG 35 108.361 -5.360 -5.669
216 HA ARG 35 HA ARG 35 110.147 -4.183 -3.855
217 1HB ARG 35 1HB ARG 35 111.501 -6.281 -5.271
218 2HB ARG 35 2HB ARG 35 110.902 -6.268 -3.622
219 1HG ARG 35 1HG ARG 35 109.188 -6.931 -6.004
220 2HG ARG 35 2HG ARG 35 110.069 -8.133 -5.058
221 1HD ARG 35 1HD ARG 35 108.828 -6.912 -3.054
222 2HD ARG 35 2HD ARG 35 107.679 -6.520 -4.332
223 HE ARG 35 HE ARG 35 108.016 -9.036 -3.076
224 1HH1 ARG 35 1HH1 ARG 35 107.315 -7.575 -6.168
225 2HH1 ARG 35 2HH1 ARG 35 106.439 -8.947 -6.759
226 1HH2 ARG 35 1HH2 ARG 35 106.866 -10.843 -3.854
227 2HH2 ARG 35 2HH2 ARG 35 106.184 -10.801 -5.445
228 H MET 36 H MET 36 109.963 -3.920 -7.260
229 HA MET 36 HA MET 36 112.600 -3.554 -8.018
230 1HB MET 36 1HB MET 36 110.151 -3.304 -9.241
231 2HB MET 36 2HB MET 36 110.752 -1.651 -9.262
232 1HG MET 36 1HG MET 36 112.729 -2.321 -10.437
233 2HG MET 36 2HG MET 36 112.292 -4.025 -10.284
234 1HE MET 36 1HE MET 36 110.445 -5.213 -12.324
235 2HE MET 36 2HE MET 36 109.009 -4.188 -12.299
236 3HE MET 36 3HE MET 36 109.808 -4.626 -10.788
237 H ARG 37 H ARG 37 110.363 -1.206 -6.584
238 HA ARG 37 HA ARG 37 112.680 0.473 -5.930
239 1HB ARG 37 1HB ARG 37 111.155 2.482 -6.388
240 2HB ARG 37 2HB ARG 37 111.848 1.653 -7.774
241 1HG ARG 37 1HG ARG 37 109.308 0.499 -7.063
242 2HG ARG 37 2HG ARG 37 109.164 2.239 -7.317
243 1HD ARG 37 1HD ARG 37 110.711 1.567 -9.422
244 2HD ARG 37 2HD ARG 37 109.781 0.081 -9.230
245 HE ARG 37 HE ARG 37 108.181 2.473 -9.224
246 1HH1 ARG 37 1HH1 ARG 37 109.661 0.018 -11.214
247 2HH1 ARG 37 2HH1 ARG 37 108.555 0.240 -12.529
248 1HH2 ARG 37 1HH2 ARG 37 106.727 2.767 -10.951
249 2HH2 ARG 37 2HH2 ARG 37 106.891 1.802 -12.379
250 H LEU 38 H LEU 38 111.146 -1.390 -4.327
251 HA LEU 38 HA LEU 38 109.184 -0.276 -2.757
252 1HB LEU 38 1HB LEU 38 111.092 -2.475 -2.525
253 2HB LEU 38 2HB LEU 38 110.600 -1.813 -0.971
254 HG LEU 38 HG LEU 38 108.731 -2.846 -3.106
255 1HD1 LEU 38 1HD1 LEU 38 110.186 -4.495 -1.782
256 2HD1 LEU 38 2HD1 LEU 38 108.443 -4.767 -1.823
257 3HD1 LEU 38 3HD1 LEU 38 109.190 -4.043 -0.398
258 1HD2 LEU 38 1HD2 LEU 38 108.136 -0.927 -1.347
259 2HD2 LEU 38 2HD2 LEU 38 107.842 -2.342 -0.338
260 3HD2 LEU 38 3HD2 LEU 38 106.981 -2.153 -1.866
261 H GLU 39 H GLU 39 112.688 0.088 -2.466
262 HA GLU 39 HA GLU 39 112.633 1.455 0.006
263 1HB GLU 39 1HB GLU 39 114.918 1.898 -0.309
264 2HB GLU 39 2HB GLU 39 114.644 0.349 -1.082
265 1HG GLU 39 1HG GLU 39 114.790 2.989 -2.512
266 2HG GLU 39 2HG GLU 39 116.111 1.831 -2.376
267 H ARG 40 H ARG 40 111.294 2.427 -2.839
268 HA ARG 40 HA ARG 40 111.913 5.264 -2.362
269 1HB ARG 40 1HB ARG 40 112.036 3.802 -4.704
270 2HB ARG 40 2HB ARG 40 110.493 4.632 -4.832
271 1HG ARG 40 1HG ARG 40 112.380 6.527 -3.927
272 2HG ARG 40 2HG ARG 40 113.122 5.644 -5.263
273 1HD ARG 40 1HD ARG 40 110.493 6.151 -6.074
274 2HD ARG 40 2HD ARG 40 111.041 7.642 -5.308
275 HE ARG 40 HE ARG 40 112.938 6.553 -7.165
276 1HH1 ARG 40 1HH1 ARG 40 110.103 8.559 -6.836
277 2HH1 ARG 40 2HH1 ARG 40 110.415 9.454 -8.286
278 1HH2 ARG 40 1HH2 ARG 40 113.350 7.727 -9.072
279 2HH2 ARG 40 2HH2 ARG 40 112.258 8.981 -9.556
280 H HIS 41 H HIS 41 109.628 2.902 -1.912
281 HA HIS 41 HA HIS 41 107.309 4.621 -2.183
282 1HB HIS 41 1HB HIS 41 107.844 1.735 -1.854
283 2HB HIS 41 2HB HIS 41 106.387 2.328 -1.074
284 HD1 HIS 41 HD1 HIS 41 104.748 3.740 -2.780
285 HD2 HIS 41 HD2 HIS 41 107.533 1.168 -4.478
286 HE1 HIS 41 HE1 HIS 41 103.961 3.354 -5.136
287 HE2 HIS 41 HE2 HIS 41 105.605 1.716 -6.110
288 H LEU 42 H LEU 42 109.659 4.076 0.107
289 HA LEU 42 HA LEU 42 108.003 4.247 2.453
290 1HB LEU 42 1HB LEU 42 110.983 4.371 2.008
291 2HB LEU 42 2HB LEU 42 110.223 4.421 3.593
292 HG LEU 42 HG LEU 42 109.273 2.142 2.104
293 1HD1 LEU 42 1HD1 LEU 42 111.097 1.423 1.078
294 2HD1 LEU 42 2HD1 LEU 42 111.865 1.257 2.661
295 3HD1 LEU 42 3HD1 LEU 42 112.059 2.749 1.732
296 1HD2 LEU 42 1HD2 LEU 42 109.270 2.641 4.571
297 2HD2 LEU 42 2HD2 LEU 42 110.980 2.213 4.559
298 3HD2 LEU 42 3HD2 LEU 42 109.765 1.019 4.095
299 H SER 43 H SER 43 107.900 6.011 3.854
300 HA SER 43 HA SER 43 108.127 8.581 2.571
301 1HB SER 43 1HB SER 43 107.421 9.233 5.080
302 2HB SER 43 2HB SER 43 106.257 8.644 3.888
303 HG SER 43 HG SER 43 106.033 7.470 5.789
304 H ALA 44 H ALA 44 109.238 10.406 3.589
305 HA ALA 44 HA ALA 44 111.931 10.053 3.884
306 1HB ALA 44 1HB ALA 44 110.052 12.202 4.647
307 2HB ALA 44 2HB ALA 44 111.490 12.259 3.630
308 3HB ALA 44 3HB ALA 44 111.652 12.255 5.386
309 H GLU 45 H GLU 45 109.474 9.652 6.316
310 HA GLU 45 HA GLU 45 111.287 9.561 8.537
311 1HB GLU 45 1HB GLU 45 109.131 8.226 9.474
312 2HB GLU 45 2HB GLU 45 109.255 9.976 9.447
313 1HG GLU 45 1HG GLU 45 107.925 10.126 7.486
314 2HG GLU 45 2HG GLU 45 107.987 8.382 7.240
315 H ASP 46 H ASP 46 109.363 7.097 6.865
316 HA ASP 46 HA ASP 46 110.436 4.866 8.124
317 1HB ASP 46 1HB ASP 46 109.412 5.044 5.285
318 2HB ASP 46 2HB ASP 46 109.569 3.572 6.246
319 H PHE 47 H PHE 47 111.451 6.396 5.057
320 HA PHE 47 HA PHE 47 113.454 4.621 4.369
321 1HB PHE 47 1HB PHE 47 112.509 6.679 3.104
322 2HB PHE 47 2HB PHE 47 113.792 7.569 3.928
323 HD1 PHE 47 HD1 PHE 47 113.220 4.555 1.852
324 HD2 PHE 47 HD2 PHE 47 115.902 7.647 3.000
325 HE1 PHE 47 HE1 PHE 47 114.837 3.801 0.137
326 HE2 PHE 47 HE2 PHE 47 117.513 6.902 1.291
327 HZ PHE 47 HZ PHE 47 116.967 4.982 -0.142
328 H SER 48 H SER 48 114.084 7.805 5.844
329 HA SER 48 HA SER 48 116.731 7.334 6.504
330 1HB SER 48 1HB SER 48 114.731 9.114 7.920
331 2HB SER 48 2HB SER 48 116.481 9.198 8.123
332 HG SER 48 HG SER 48 116.555 9.569 5.797
333 H ARG 49 H ARG 49 113.907 6.040 7.965
334 HA ARG 49 HA ARG 49 115.161 5.503 10.516
335 1HB ARG 49 1HB ARG 49 112.785 6.007 10.470
336 2HB ARG 49 2HB ARG 49 112.492 4.667 9.371
337 1HG ARG 49 1HG ARG 49 112.462 3.159 11.021
338 2HG ARG 49 2HG ARG 49 113.827 3.901 11.858
339 1HD ARG 49 1HD ARG 49 110.948 4.795 11.932
340 2HD ARG 49 2HD ARG 49 111.860 4.047 13.246
341 HE ARG 49 HE ARG 49 111.942 6.803 12.417
342 1HH1 ARG 49 1HH1 ARG 49 113.653 4.253 14.077
343 2HH1 ARG 49 2HH1 ARG 49 114.611 5.342 15.023
344 1HH2 ARG 49 1HH2 ARG 49 113.202 8.236 13.660
345 2HH2 ARG 49 2HH2 ARG 49 114.354 7.603 14.787
346 H VAL 50 H VAL 50 114.578 3.854 7.496
347 HA VAL 50 HA VAL 50 115.424 1.298 8.637
348 HB VAL 50 HB VAL 50 114.579 1.845 5.791
349 1HG1 VAL 50 1HG1 VAL 50 115.930 -0.262 6.552
350 2HG1 VAL 50 2HG1 VAL 50 114.559 -0.425 5.455
351 3HG1 VAL 50 3HG1 VAL 50 114.365 -0.790 7.168
352 1HG2 VAL 50 1HG2 VAL 50 112.763 0.489 7.704
353 2HG2 VAL 50 2HG2 VAL 50 112.391 1.472 6.289
354 3HG2 VAL 50 3HG2 VAL 50 112.892 2.246 7.795
355 H PHE 51 H PHE 51 116.361 3.566 6.068
356 HA PHE 51 HA PHE 51 118.852 2.089 5.680
357 1HB PHE 51 1HB PHE 51 117.713 4.406 4.113
358 2HB PHE 51 2HB PHE 51 119.120 3.445 3.666
359 HD1 PHE 51 HD1 PHE 51 118.553 0.785 3.672
360 HD2 PHE 51 HD2 PHE 51 115.792 3.944 3.013
361 HE1 PHE 51 HE1 PHE 51 117.086 -0.761 2.427
362 HE2 PHE 51 HE2 PHE 51 114.320 2.410 1.766
363 HZ PHE 51 HZ PHE 51 114.974 0.060 1.474
364 H ALA 52 H ALA 52 117.691 5.241 6.726
365 HA ALA 52 HA ALA 52 118.713 6.772 8.108
366 1HB ALA 52 1HB ALA 52 121.355 5.399 7.774
367 2HB ALA 52 2HB ALA 52 120.127 4.783 8.881
368 3HB ALA 52 3HB ALA 52 120.787 6.402 9.108
369 H MET 53 H MET 53 118.947 6.397 4.987
370 HA MET 53 HA MET 53 120.742 8.708 4.590
371 1HB MET 53 1HB MET 53 121.742 7.744 2.827
372 2HB MET 53 2HB MET 53 121.198 6.244 3.572
373 1HG MET 53 1HG MET 53 119.184 6.310 2.162
374 2HG MET 53 2HG MET 53 119.810 7.757 1.374
375 1HE MET 53 1HE MET 53 119.451 4.350 1.735
376 2HE MET 53 2HE MET 53 121.106 3.755 1.888
377 3HE MET 53 3HE MET 53 120.257 3.612 0.352
378 H SER 54 H SER 54 120.211 9.680 2.337
379 HA SER 54 HA SER 54 117.474 10.576 2.507
380 1HB SER 54 1HB SER 54 119.877 11.337 0.855
381 2HB SER 54 2HB SER 54 118.271 11.974 0.475
382 HG SER 54 HG SER 54 119.857 12.395 2.763
383 HA PRO 55 HA PRO 55 115.715 7.712 -0.413
384 1HB PRO 55 1HB PRO 55 114.357 10.152 -1.470
385 2HB PRO 55 2HB PRO 55 113.664 8.590 -1.015
386 1HG PRO 55 1HG PRO 55 113.404 10.724 0.570
387 2HG PRO 55 2HG PRO 55 113.651 9.100 1.243
388 1HD PRO 55 1HD PRO 55 115.557 11.377 1.040
389 2HD PRO 55 2HD PRO 55 115.453 10.092 2.263
390 H GLU 56 H GLU 56 117.239 10.715 -1.278
391 HA GLU 56 HA GLU 56 117.561 9.967 -4.062
392 1HB GLU 56 1HB GLU 56 118.037 12.156 -4.454
393 2HB GLU 56 2HB GLU 56 117.218 12.363 -2.910
394 1HG GLU 56 1HG GLU 56 119.409 12.353 -1.778
395 2HG GLU 56 2HG GLU 56 120.192 12.247 -3.359
396 H GLU 57 H GLU 57 119.243 9.600 -1.100
397 HA GLU 57 HA GLU 57 121.882 9.546 -2.168
398 1HB GLU 57 1HB GLU 57 120.632 8.963 0.480
399 2HB GLU 57 2HB GLU 57 122.115 8.089 0.110
400 1HG GLU 57 1HG GLU 57 123.264 10.196 -0.313
401 2HG GLU 57 2HG GLU 57 121.780 11.074 0.054
402 H PHE 58 H PHE 58 119.400 7.138 -1.453
403 HA PHE 58 HA PHE 58 120.752 4.756 -1.948
404 1HB PHE 58 1HB PHE 58 118.193 5.418 -1.405
405 2HB PHE 58 2HB PHE 58 118.026 5.074 -3.121
406 HD1 PHE 58 HD1 PHE 58 118.741 2.788 -3.956
407 HD2 PHE 58 HD2 PHE 58 118.247 3.703 0.167
408 HE1 PHE 58 HE1 PHE 58 118.519 0.390 -3.451
409 HE2 PHE 58 HE2 PHE 58 118.036 1.312 0.682
410 HZ PHE 58 HZ PHE 58 118.168 -0.355 -1.127
411 H GLY 59 H GLY 59 118.812 6.564 -4.354
412 1HA GLY 59 1HA GLY 59 119.554 5.114 -6.598
413 2HA GLY 59 2HA GLY 59 119.064 6.802 -6.625
414 H LYS 60 H LYS 60 121.365 7.497 -4.839
415 HA LYS 60 HA LYS 60 123.322 7.795 -6.970
416 1HB LYS 60 1HB LYS 60 123.028 9.031 -4.236
417 2HB LYS 60 2HB LYS 60 124.468 9.268 -5.224
418 1HG LYS 60 1HG LYS 60 121.930 9.806 -6.597
419 2HG LYS 60 2HG LYS 60 122.296 10.884 -5.246
420 1HD LYS 60 1HD LYS 60 123.334 11.986 -6.979
421 2HD LYS 60 2HD LYS 60 124.660 10.991 -6.375
422 1HE LYS 60 1HE LYS 60 123.350 9.368 -8.212
423 2HE LYS 60 2HE LYS 60 123.349 10.965 -8.958
424 1HZ LYS 60 1HZ LYS 60 125.625 9.259 -8.224
425 2HZ LYS 60 2HZ LYS 60 125.833 10.938 -8.244
426 3HZ LYS 60 3HZ LYS 60 125.350 10.131 -9.649
427 H LEU 61 H LEU 61 122.743 5.579 -4.543
428 HA LEU 61 HA LEU 61 125.411 5.119 -3.683
429 1HB LEU 61 1HB LEU 61 122.865 3.502 -3.450
430 2HB LEU 61 2HB LEU 61 124.360 3.096 -2.646
431 HG LEU 61 HG LEU 61 122.528 5.381 -2.087
432 1HD1 LEU 61 1HD1 LEU 61 121.892 3.715 -0.711
433 2HD1 LEU 61 2HD1 LEU 61 123.202 4.372 0.270
434 3HD1 LEU 61 3HD1 LEU 61 123.476 2.943 -0.727
435 1HD2 LEU 61 1HD2 LEU 61 124.343 6.051 -0.404
436 2HD2 LEU 61 2HD2 LEU 61 124.569 6.524 -2.089
437 3HD2 LEU 61 3HD2 LEU 61 125.445 5.139 -1.437
438 H ALA 62 H ALA 62 125.102 2.190 -3.925
439 HA ALA 62 HA ALA 62 125.647 1.848 -6.791
440 1HB ALA 62 1HB ALA 62 127.168 0.407 -4.639
441 2HB ALA 62 2HB ALA 62 127.714 1.928 -5.345
442 3HB ALA 62 3HB ALA 62 127.536 0.497 -6.361
443 H LEU 63 H LEU 63 125.653 -0.519 -7.430
444 HA LEU 63 HA LEU 63 123.141 -1.651 -6.835
445 1HB LEU 63 1HB LEU 63 124.550 -1.925 -8.928
446 2HB LEU 63 2HB LEU 63 125.471 -3.122 -8.036
447 HG LEU 63 HG LEU 63 122.685 -3.738 -7.809
448 1HD1 LEU 63 1HD1 LEU 63 123.649 -3.565 -10.655
449 2HD1 LEU 63 2HD1 LEU 63 122.519 -2.429 -9.917
450 3HD1 LEU 63 3HD1 LEU 63 122.077 -4.128 -10.086
451 1HD2 LEU 63 1HD2 LEU 63 123.417 -5.850 -8.215
452 2HD2 LEU 63 2HD2 LEU 63 124.962 -5.104 -7.802
453 3HD2 LEU 63 3HD2 LEU 63 124.521 -5.341 -9.494
454 H TRP 64 H TRP 64 126.301 -2.136 -5.445
455 HA TRP 64 HA TRP 64 125.519 -4.532 -4.036
456 1HB TRP 64 1HB TRP 64 127.839 -4.247 -3.069
457 2HB TRP 64 2HB TRP 64 127.783 -4.432 -4.828
458 HD1 TRP 64 HD1 TRP 64 128.692 -2.429 -6.257
459 HE1 TRP 64 HE1 TRP 64 129.748 -0.163 -5.666
460 HE3 TRP 64 HE3 TRP 64 127.597 -2.389 -1.390
461 HZ2 TRP 64 HZ2 TRP 64 130.078 1.435 -3.306
462 HZ3 TRP 64 HZ3 TRP 64 128.316 -0.460 0.007
463 HH2 TRP 64 HH2 TRP 64 129.514 1.405 -0.945
464 H LYS 65 H LYS 65 125.954 -1.125 -3.585
465 HA LYS 65 HA LYS 65 125.698 -1.095 -0.744
466 1HB LYS 65 1HB LYS 65 126.406 0.784 -2.552
467 2HB LYS 65 2HB LYS 65 124.722 1.236 -2.304
468 1HG LYS 65 1HG LYS 65 126.970 1.213 -0.322
469 2HG LYS 65 2HG LYS 65 125.911 2.546 -0.788
470 1HD LYS 65 1HD LYS 65 124.014 1.330 0.264
471 2HD LYS 65 2HD LYS 65 125.159 0.107 0.825
472 1HE LYS 65 1HE LYS 65 125.750 2.949 1.456
473 2HE LYS 65 2HE LYS 65 124.425 2.173 2.333
474 1HZ LYS 65 1HZ LYS 65 127.289 1.681 2.478
475 2HZ LYS 65 2HZ LYS 65 126.300 0.312 2.557
476 3HZ LYS 65 3HZ LYS 65 126.104 1.560 3.682
477 H ARG 66 H ARG 66 123.430 -0.283 -3.367
478 HA ARG 66 HA ARG 66 121.111 0.047 -1.894
479 1HB ARG 66 1HB ARG 66 121.483 -1.150 -4.644
480 2HB ARG 66 2HB ARG 66 119.923 -0.698 -3.975
481 1HG ARG 66 1HG ARG 66 120.899 1.628 -3.687
482 2HG ARG 66 2HG ARG 66 122.214 1.072 -4.724
483 1HD ARG 66 1HD ARG 66 119.665 0.379 -5.870
484 2HD ARG 66 2HD ARG 66 119.735 2.111 -5.515
485 HE ARG 66 HE ARG 66 122.071 1.132 -6.863
486 1HH1 ARG 66 1HH1 ARG 66 118.817 2.312 -7.303
487 2HH1 ARG 66 2HH1 ARG 66 119.097 2.848 -8.926
488 1HH2 ARG 66 1HH2 ARG 66 122.441 1.836 -8.998
489 2HH2 ARG 66 2HH2 ARG 66 121.153 2.577 -9.889
490 H ASN 67 H ASN 67 122.515 -2.878 -3.257
491 HA ASN 67 HA ASN 67 120.548 -4.716 -2.556
492 1HB ASN 67 1HB ASN 67 123.415 -4.832 -3.210
493 2HB ASN 67 2HB ASN 67 122.852 -6.168 -2.205
494 1HD2 ASN 67 1HD2 ASN 67 121.741 -4.319 -5.030
495 2HD2 ASN 67 2HD2 ASN 67 121.233 -5.695 -5.941
496 H GLU 68 H GLU 68 123.558 -4.180 -0.728
497 HA GLU 68 HA GLU 68 123.015 -5.568 1.540
498 1HB GLU 68 1HB GLU 68 124.673 -3.208 0.911
499 2HB GLU 68 2HB GLU 68 124.311 -3.446 2.614
500 1HG GLU 68 1HG GLU 68 126.418 -4.485 2.013
501 2HG GLU 68 2HG GLU 68 125.236 -5.696 2.509
502 H LEU 69 H LEU 69 122.005 -2.221 0.849
503 HA LEU 69 HA LEU 69 120.783 -1.739 3.337
504 1HB LEU 69 1HB LEU 69 119.833 -0.603 0.721
505 2HB LEU 69 2HB LEU 69 119.688 0.100 2.320
506 HG LEU 69 HG LEU 69 122.402 -0.413 1.316
507 1HD1 LEU 69 1HD1 LEU 69 121.609 2.193 0.511
508 2HD1 LEU 69 2HD1 LEU 69 120.536 1.008 -0.228
509 3HD1 LEU 69 3HD1 LEU 69 122.276 0.888 -0.466
510 1HD2 LEU 69 1HD2 LEU 69 122.614 0.579 3.333
511 2HD2 LEU 69 2HD2 LEU 69 121.031 1.349 3.234
512 3HD2 LEU 69 3HD2 LEU 69 122.407 2.050 2.384
513 H LYS 70 H LYS 70 119.245 -2.477 0.234
514 HA LYS 70 HA LYS 70 116.683 -3.057 1.164
515 1HB LYS 70 1HB LYS 70 118.307 -3.901 -1.190
516 2HB LYS 70 2HB LYS 70 116.836 -4.788 -0.860
517 1HG LYS 70 1HG LYS 70 117.205 -1.999 -1.795
518 2HG LYS 70 2HG LYS 70 116.099 -3.254 -2.355
519 1HD LYS 70 1HD LYS 70 115.197 -2.807 0.184
520 2HD LYS 70 2HD LYS 70 115.737 -1.200 -0.295
521 1HE LYS 70 1HE LYS 70 113.315 -1.812 -0.808
522 2HE LYS 70 2HE LYS 70 114.269 -1.128 -2.122
523 1HZ LYS 70 1HZ LYS 70 114.147 -3.010 -3.301
524 2HZ LYS 70 2HZ LYS 70 112.819 -3.368 -2.317
525 3HZ LYS 70 3HZ LYS 70 114.338 -4.013 -1.952
526 H LYS 71 H LYS 71 119.623 -4.830 1.339
527 HA LYS 71 HA LYS 71 118.454 -7.371 1.969
528 1HB LYS 71 1HB LYS 71 121.252 -6.264 1.822
529 2HB LYS 71 2HB LYS 71 120.943 -7.880 2.468
530 1HG LYS 71 1HG LYS 71 119.743 -7.181 -0.149
531 2HG LYS 71 2HG LYS 71 121.489 -7.437 -0.085
532 1HD LYS 71 1HD LYS 71 119.482 -9.401 1.011
533 2HD LYS 71 2HD LYS 71 120.119 -9.478 -0.634
534 1HE LYS 71 1HE LYS 71 121.734 -9.618 1.911
535 2HE LYS 71 2HE LYS 71 121.343 -10.973 0.853
536 1HZ LYS 71 1HZ LYS 71 123.528 -10.274 0.332
537 2HZ LYS 71 2HZ LYS 71 123.074 -8.648 0.234
538 3HZ LYS 71 3HZ LYS 71 122.544 -9.745 -0.939
539 H LYS 72 H LYS 72 119.782 -4.668 3.760
540 HA LYS 72 HA LYS 72 119.558 -6.142 6.261
541 1HB LYS 72 1HB LYS 72 120.822 -4.400 7.287
542 2HB LYS 72 2HB LYS 72 121.610 -4.771 5.761
543 1HG LYS 72 1HG LYS 72 121.616 -2.554 5.477
544 2HG LYS 72 2HG LYS 72 119.926 -2.777 5.012
545 1HD LYS 72 1HD LYS 72 119.460 -2.541 7.554
546 2HD LYS 72 2HD LYS 72 121.066 -1.810 7.607
547 1HE LYS 72 1HE LYS 72 118.621 -0.867 6.143
548 2HE LYS 72 2HE LYS 72 119.584 -0.008 7.343
549 1HZ LYS 72 1HZ LYS 72 120.015 -0.305 4.492
550 2HZ LYS 72 2HZ LYS 72 121.405 -0.451 5.445
551 3HZ LYS 72 3HZ LYS 72 120.465 0.952 5.531
552 H ALA 73 H ALA 73 117.925 -3.908 4.317
553 HA ALA 73 HA ALA 73 116.343 -2.715 6.417
554 1HB ALA 73 1HB ALA 73 116.672 -2.371 3.498
555 2HB ALA 73 2HB ALA 73 116.581 -1.161 4.777
556 3HB ALA 73 3HB ALA 73 115.109 -1.930 4.184
557 H GLU 74 H GLU 74 116.340 -5.706 5.175
558 HA GLU 74 HA GLU 74 114.826 -7.402 5.166
559 1HB GLU 74 1HB GLU 74 113.040 -5.324 6.437
560 2HB GLU 74 2HB GLU 74 112.604 -7.013 6.257
561 1HG GLU 74 1HG GLU 74 114.412 -7.685 7.694
562 2HG GLU 74 2HG GLU 74 114.999 -6.025 7.784
563 H LEU 75 H LEU 75 114.982 -5.212 3.015
564 HA LEU 75 HA LEU 75 112.676 -6.187 1.551
565 1HB LEU 75 1HB LEU 75 112.826 -3.567 0.664
566 2HB LEU 75 2HB LEU 75 111.578 -4.266 1.688
567 HG LEU 75 HG LEU 75 113.684 -3.542 3.383
568 1HD1 LEU 75 1HD1 LEU 75 113.270 -1.590 1.167
569 2HD1 LEU 75 2HD1 LEU 75 114.762 -2.060 1.986
570 3HD1 LEU 75 3HD1 LEU 75 113.601 -1.008 2.802
571 1HD2 LEU 75 1HD2 LEU 75 111.802 -1.583 3.668
572 2HD2 LEU 75 2HD2 LEU 75 111.732 -3.180 4.412
573 3HD2 LEU 75 3HD2 LEU 75 110.886 -2.876 2.895
574 H PHE 76 H PHE 76 114.766 -7.401 0.909
575 HA PHE 76 HA PHE 76 115.832 -6.093 -1.501
576 1HB PHE 76 1HB PHE 76 117.824 -6.439 -0.463
577 2HB PHE 76 2HB PHE 76 117.164 -7.677 0.608
578 HD1 PHE 76 HD1 PHE 76 116.973 -10.017 -0.198
579 HD2 PHE 76 HD2 PHE 76 118.962 -7.006 -2.455
580 HE1 PHE 76 HE1 PHE 76 118.081 -11.758 -1.538
581 HE2 PHE 76 HE2 PHE 76 120.072 -8.741 -3.798
582 HZ PHE 76 HZ PHE 76 119.632 -11.121 -3.342
Start of MODEL 11
1 HT1 PRO 9 HT1 PRO 9 104.672 12.627 -11.794
2 HT2 PRO 9 HT2 PRO 9 105.087 11.442 -10.730
3 HA PRO 9 HA PRO 9 104.062 13.767 -10.210
4 1HB PRO 9 1HB PRO 9 101.871 12.163 -9.187
5 2HB PRO 9 2HB PRO 9 101.815 13.666 -10.116
6 1HG PRO 9 1HG PRO 9 101.068 11.258 -11.139
7 2HG PRO 9 2HG PRO 9 101.724 12.576 -12.126
8 1HD PRO 9 1HD PRO 9 103.113 10.138 -11.054
9 2HD PRO 9 2HD PRO 9 103.218 10.869 -12.668
10 H GLY 10 H GLY 10 103.323 10.533 -8.884
11 1HA GLY 10 1HA GLY 10 105.412 10.337 -7.079
12 2HA GLY 10 2HA GLY 10 104.147 11.232 -6.251
13 H LEU 11 H LEU 11 104.946 8.899 -5.201
14 HA LEU 11 HA LEU 11 102.770 7.044 -5.894
15 1HB LEU 11 1HB LEU 11 104.524 5.498 -4.512
16 2HB LEU 11 2HB LEU 11 104.417 5.580 -6.260
17 HG LEU 11 HG LEU 11 106.164 7.548 -5.920
18 1HD1 LEU 11 1HD1 LEU 11 106.485 7.737 -3.667
19 2HD1 LEU 11 2HD1 LEU 11 107.739 6.557 -4.056
20 3HD1 LEU 11 3HD1 LEU 11 106.204 6.021 -3.372
21 1HD2 LEU 11 1HD2 LEU 11 106.265 5.080 -6.932
22 2HD2 LEU 11 2HD2 LEU 11 107.368 4.873 -5.572
23 3HD2 LEU 11 3HD2 LEU 11 107.685 6.115 -6.785
24 H GLN 12 H GLN 12 102.041 5.680 -4.060
25 HA GLN 12 HA GLN 12 101.426 7.360 -1.812
26 1HB GLN 12 1HB GLN 12 100.394 5.008 -1.040
27 2HB GLN 12 2HB GLN 12 99.581 6.083 -2.166
28 1HG GLN 12 1HG GLN 12 101.432 4.032 -3.261
29 2HG GLN 12 2HG GLN 12 99.862 3.514 -2.653
30 1HE2 GLN 12 1HE2 GLN 12 98.093 5.238 -3.395
31 2HE2 GLN 12 2HE2 GLN 12 98.077 5.503 -5.103
32 H ILE 13 H ILE 13 102.294 7.364 0.170
33 HA ILE 13 HA ILE 13 104.594 5.623 0.639
34 HB ILE 13 HB ILE 13 103.808 7.823 2.503
35 1HG1 ILE 13 1HG1 ILE 13 103.725 8.730 0.166
36 2HG1 ILE 13 2HG1 ILE 13 104.970 9.459 1.176
37 1HG2 ILE 13 1HG2 ILE 13 106.407 7.978 2.451
38 2HG2 ILE 13 2HG2 ILE 13 106.301 6.366 1.742
39 3HG2 ILE 13 3HG2 ILE 13 105.624 6.672 3.343
40 1HD1 ILE 13 1HD1 ILE 13 105.772 9.021 -1.080
41 2HD1 ILE 13 2HD1 ILE 13 105.425 7.304 -0.870
42 3HD1 ILE 13 3HD1 ILE 13 106.661 8.082 0.120
43 H TYR 14 H TYR 14 104.519 3.953 2.004
44 HA TYR 14 HA TYR 14 102.381 3.877 4.032
45 1HB TYR 14 1HB TYR 14 103.364 1.549 2.364
46 2HB TYR 14 2HB TYR 14 102.146 1.462 3.634
47 HD1 TYR 14 HD1 TYR 14 99.987 2.780 3.301
48 HD2 TYR 14 HD2 TYR 14 102.762 2.041 0.161
49 HE1 TYR 14 HE1 TYR 14 98.227 3.240 1.646
50 HE2 TYR 14 HE2 TYR 14 101.013 2.497 -1.501
51 HH TYR 14 HH TYR 14 98.424 2.392 -1.532
52 HA PRO 15 HA PRO 15 105.232 2.882 7.251
53 1HB PRO 15 1HB PRO 15 104.314 0.277 7.907
54 2HB PRO 15 2HB PRO 15 103.857 1.796 8.687
55 1HG PRO 15 1HG PRO 15 102.437 0.238 6.593
56 2HG PRO 15 2HG PRO 15 101.777 1.264 7.880
57 1HD PRO 15 1HD PRO 15 101.799 2.075 5.330
58 2HD PRO 15 2HD PRO 15 102.103 3.215 6.660
59 H TYR 16 H TYR 16 106.919 1.232 7.882
60 HA TYR 16 HA TYR 16 108.136 0.217 5.472
61 1HB TYR 16 1HB TYR 16 109.705 1.271 6.817
62 2HB TYR 16 2HB TYR 16 109.024 0.611 8.305
63 HD1 TYR 16 HD1 TYR 16 111.173 -0.101 5.408
64 HD2 TYR 16 HD2 TYR 16 109.678 -1.527 9.118
65 HE1 TYR 16 HE1 TYR 16 112.871 -1.879 5.383
66 HE2 TYR 16 HE2 TYR 16 111.374 -3.315 9.123
67 HH TYR 16 HH TYR 16 114.025 -3.333 7.522
68 H GLU 17 H GLU 17 107.575 -1.249 8.689
69 HA GLU 17 HA GLU 17 108.109 -3.858 8.180
70 1HB GLU 17 1HB GLU 17 106.349 -2.438 10.036
71 2HB GLU 17 2HB GLU 17 105.815 -4.079 9.703
72 1HG GLU 17 1HG GLU 17 107.649 -5.027 10.677
73 2HG GLU 17 2HG GLU 17 108.678 -3.628 10.359
74 H MET 18 H MET 18 104.981 -2.283 7.517
75 HA MET 18 HA MET 18 103.766 -4.596 6.411
76 1HB MET 18 1HB MET 18 103.152 -1.660 6.350
77 2HB MET 18 2HB MET 18 102.247 -2.767 5.327
78 1HG MET 18 1HG MET 18 101.105 -2.291 7.437
79 2HG MET 18 2HG MET 18 101.493 -4.003 7.251
80 1HE MET 18 1HE MET 18 100.581 -3.712 9.611
81 2HE MET 18 2HE MET 18 101.050 -2.240 10.463
82 3HE MET 18 3HE MET 18 101.707 -3.798 10.967
83 H LEU 19 H LEU 19 105.743 -2.029 5.125
84 HA LEU 19 HA LEU 19 105.306 -2.746 2.369
85 1HB LEU 19 1HB LEU 19 106.926 -0.732 3.845
86 2HB LEU 19 2HB LEU 19 107.358 -1.102 2.183
87 HG LEU 19 HG LEU 19 104.684 -0.072 3.134
88 1HD1 LEU 19 1HD1 LEU 19 106.705 1.307 1.388
89 2HD1 LEU 19 2HD1 LEU 19 106.653 1.515 3.139
90 3HD1 LEU 19 3HD1 LEU 19 105.271 1.992 2.151
91 1HD2 LEU 19 1HD2 LEU 19 105.682 -1.115 0.542
92 2HD2 LEU 19 2HD2 LEU 19 104.551 0.239 0.527
93 3HD2 LEU 19 3HD2 LEU 19 104.096 -1.284 1.292
94 H VAL 20 H VAL 20 107.190 -4.051 4.827
95 HA VAL 20 HA VAL 20 109.641 -4.568 3.626
96 HB VAL 20 HB VAL 20 108.162 -6.513 5.407
97 1HG1 VAL 20 1HG1 VAL 20 110.064 -7.619 4.689
98 2HG1 VAL 20 2HG1 VAL 20 110.603 -6.840 6.180
99 3HG1 VAL 20 3HG1 VAL 20 111.015 -6.134 4.619
100 1HG2 VAL 20 1HG2 VAL 20 108.915 -5.362 7.287
101 2HG2 VAL 20 2HG2 VAL 20 108.342 -4.088 6.215
102 3HG2 VAL 20 3HG2 VAL 20 110.066 -4.407 6.356
103 H VAL 21 H VAL 21 110.429 -6.258 2.327
104 HA VAL 21 HA VAL 21 108.605 -7.127 0.328
105 HB VAL 21 HB VAL 21 111.490 -7.873 0.797
106 1HG1 VAL 21 1HG1 VAL 21 111.126 -8.225 -1.848
107 2HG1 VAL 21 2HG1 VAL 21 109.545 -8.726 -1.246
108 3HG1 VAL 21 3HG1 VAL 21 111.006 -9.523 -0.660
109 1HG2 VAL 21 1HG2 VAL 21 110.923 -5.451 0.384
110 2HG2 VAL 21 2HG2 VAL 21 110.368 -5.940 -1.217
111 3HG2 VAL 21 3HG2 VAL 21 112.053 -6.180 -0.756
112 H THR 22 H THR 22 110.804 -9.186 2.258
113 HA THR 22 HA THR 22 108.812 -11.333 2.025
114 HB THR 22 HB THR 22 111.774 -11.491 2.607
115 HG1 THR 22 HG1 THR 22 111.851 -11.341 0.525
116 1HG2 THR 22 1HG2 THR 22 110.990 -13.414 3.604
117 2HG2 THR 22 2HG2 THR 22 111.327 -13.946 1.956
118 3HG2 THR 22 3HG2 THR 22 109.670 -13.600 2.449
119 H ASN 23 H ASN 23 111.392 -10.622 4.311
120 HA ASN 23 HA ASN 23 110.868 -11.832 6.532
121 1HB ASN 23 1HB ASN 23 111.284 -8.843 6.459
122 2HB ASN 23 2HB ASN 23 111.601 -9.890 7.843
123 1HD2 ASN 23 1HD2 ASN 23 112.591 -9.044 4.596
124 2HD2 ASN 23 2HD2 ASN 23 114.174 -9.729 4.696
125 H LYS 24 H LYS 24 109.064 -8.778 5.962
126 HA LYS 24 HA LYS 24 107.021 -9.830 7.807
127 1HB LYS 24 1HB LYS 24 108.207 -7.128 7.481
128 2HB LYS 24 2HB LYS 24 106.501 -7.217 7.907
129 1HG LYS 24 1HG LYS 24 107.712 -7.033 9.929
130 2HG LYS 24 2HG LYS 24 107.161 -8.705 9.817
131 1HD LYS 24 1HD LYS 24 109.489 -8.555 10.583
132 2HD LYS 24 2HD LYS 24 109.357 -9.401 9.041
133 1HE LYS 24 1HE LYS 24 110.653 -7.903 8.016
134 2HE LYS 24 2HE LYS 24 109.717 -6.555 8.662
135 1HZ LYS 24 1HZ LYS 24 112.241 -7.580 9.514
136 2HZ LYS 24 2HZ LYS 24 111.147 -7.479 10.800
137 3HZ LYS 24 3HZ LYS 24 111.501 -6.104 9.881
138 H GLY 25 H GLY 25 107.134 -10.165 4.831
139 1HA GLY 25 1HA GLY 25 104.439 -9.930 4.270
140 2HA GLY 25 2HA GLY 25 105.156 -8.424 3.724
141 H ARG 26 H ARG 26 104.262 -9.174 1.672
142 HA ARG 26 HA ARG 26 106.255 -10.729 0.187
143 1HB ARG 26 1HB ARG 26 104.073 -12.011 0.911
144 2HB ARG 26 2HB ARG 26 103.339 -11.105 -0.404
145 1HG ARG 26 1HG ARG 26 105.638 -12.153 -1.529
146 2HG ARG 26 2HG ARG 26 105.044 -13.445 -0.481
147 1HD ARG 26 1HD ARG 26 102.743 -12.587 -1.660
148 2HD ARG 26 2HD ARG 26 103.915 -12.347 -2.955
149 HE ARG 26 HE ARG 26 104.108 -14.623 -3.164
150 1HH1 ARG 26 1HH1 ARG 26 102.455 -13.886 -0.181
151 2HH1 ARG 26 2HH1 ARG 26 102.035 -15.534 0.139
152 1HH2 ARG 26 1HH2 ARG 26 103.557 -16.793 -2.744
153 2HH2 ARG 26 2HH2 ARG 26 102.661 -17.185 -1.315
154 H THR 27 H THR 27 104.369 -10.546 -2.190
155 HA THR 27 HA THR 27 105.076 -7.837 -2.953
156 HB THR 27 HB THR 27 104.416 -10.362 -4.341
157 HG1 THR 27 HG1 THR 27 106.045 -9.582 -5.713
158 1HG2 THR 27 1HG2 THR 27 102.642 -9.064 -5.298
159 2HG2 THR 27 2HG2 THR 27 103.936 -9.253 -6.481
160 3HG2 THR 27 3HG2 THR 27 103.743 -7.725 -5.618
161 H LYS 28 H LYS 28 102.719 -8.992 -1.211
162 HA LYS 28 HA LYS 28 100.447 -7.752 -2.514
163 1HB LYS 28 1HB LYS 28 100.836 -9.436 -0.079
164 2HB LYS 28 2HB LYS 28 99.277 -8.723 -0.475
165 1HG LYS 28 1HG LYS 28 99.620 -11.131 -1.172
166 2HG LYS 28 2HG LYS 28 99.051 -10.027 -2.422
167 1HD LYS 28 1HD LYS 28 101.285 -9.859 -3.344
168 2HD LYS 28 2HD LYS 28 101.932 -10.846 -2.034
169 1HE LYS 28 1HE LYS 28 101.513 -12.681 -3.214
170 2HE LYS 28 2HE LYS 28 99.796 -12.283 -3.227
171 1HZ LYS 28 1HZ LYS 28 100.643 -10.672 -5.136
172 2HZ LYS 28 2HZ LYS 28 100.169 -12.267 -5.441
173 3HZ LYS 28 3HZ LYS 28 101.810 -11.887 -5.294
174 H LEU 29 H LEU 29 102.462 -6.004 -1.671
175 HA LEU 29 HA LEU 29 102.087 -4.852 0.862
176 1HB LEU 29 1HB LEU 29 102.607 -2.860 -1.194
177 2HB LEU 29 2HB LEU 29 103.508 -3.210 0.255
178 HG LEU 29 HG LEU 29 103.929 -4.157 -2.544
179 1HD1 LEU 29 1HD1 LEU 29 106.320 -3.980 -1.193
180 2HD1 LEU 29 2HD1 LEU 29 105.343 -2.698 -0.482
181 3HD1 LEU 29 3HD1 LEU 29 105.599 -2.750 -2.226
182 1HD2 LEU 29 1HD2 LEU 29 103.984 -5.921 -0.263
183 2HD2 LEU 29 2HD2 LEU 29 105.606 -5.703 -0.911
184 3HD2 LEU 29 3HD2 LEU 29 104.313 -6.278 -1.958
185 HA PRO 30 HA PRO 30 98.372 -2.441 0.886
186 1HB PRO 30 1HB PRO 30 100.017 0.040 0.551
187 2HB PRO 30 2HB PRO 30 98.722 -0.301 1.710
188 1HG PRO 30 1HG PRO 30 101.271 -0.367 2.472
189 2HG PRO 30 2HG PRO 30 100.102 -1.550 3.092
190 1HD PRO 30 1HD PRO 30 102.273 -1.897 1.086
191 2HD PRO 30 2HD PRO 30 101.604 -3.065 2.245
192 HA PRO 31 HA PRO 31 97.216 -1.421 -3.245
193 1HB PRO 31 1HB PRO 31 96.030 1.058 -3.157
194 2HB PRO 31 2HB PRO 31 95.242 -0.450 -2.673
195 1HG PRO 31 1HG PRO 31 96.552 1.636 -0.977
196 2HG PRO 31 2HG PRO 31 95.053 0.735 -0.689
197 1HD PRO 31 1HD PRO 31 97.355 0.095 0.541
198 2HD PRO 31 2HD PRO 31 96.178 -1.142 0.061
199 H GLY 32 H GLY 32 98.970 -1.187 -4.544
200 1HA GLY 32 1HA GLY 32 99.979 0.232 -6.169
201 2HA GLY 32 2HA GLY 32 99.845 1.568 -5.046
202 H VAL 33 H VAL 33 101.327 -1.659 -4.528
203 HA VAL 33 HA VAL 33 103.939 -0.371 -4.446
204 HB VAL 33 HB VAL 33 103.716 -2.270 -2.323
205 1HG1 VAL 33 1HG1 VAL 33 105.464 -0.436 -3.002
206 2HG1 VAL 33 2HG1 VAL 33 105.232 -0.925 -1.326
207 3HG1 VAL 33 3HG1 VAL 33 104.475 0.550 -1.926
208 1HG2 VAL 33 1HG2 VAL 33 102.439 -1.011 -0.771
209 2HG2 VAL 33 2HG2 VAL 33 101.449 -1.260 -2.207
210 3HG2 VAL 33 3HG2 VAL 33 102.223 0.300 -1.934
211 H ASP 34 H ASP 34 105.624 -1.500 -5.026
212 HA ASP 34 HA ASP 34 105.412 -4.378 -5.421
213 1HB ASP 34 1HB ASP 34 104.877 -2.798 -7.554
214 2HB ASP 34 2HB ASP 34 106.633 -2.905 -7.688
215 H ARG 35 H ARG 35 107.346 -5.409 -5.124
216 HA ARG 35 HA ARG 35 109.343 -4.207 -3.655
217 1HB ARG 35 1HB ARG 35 109.480 -6.665 -5.395
218 2HB ARG 35 2HB ARG 35 110.730 -6.202 -4.247
219 1HG ARG 35 1HG ARG 35 109.622 -7.145 -2.587
220 2HG ARG 35 2HG ARG 35 108.184 -6.185 -2.944
221 1HD ARG 35 1HD ARG 35 107.463 -8.392 -3.153
222 2HD ARG 35 2HD ARG 35 107.752 -7.869 -4.811
223 HE ARG 35 HE ARG 35 110.092 -8.998 -4.195
224 1HH1 ARG 35 1HH1 ARG 35 106.820 -10.131 -3.736
225 2HH1 ARG 35 2HH1 ARG 35 107.250 -11.803 -3.867
226 1HH2 ARG 35 1HH2 ARG 35 110.655 -11.196 -4.367
227 2HH2 ARG 35 2HH2 ARG 35 109.425 -12.408 -4.225
228 H MET 36 H MET 36 108.872 -4.062 -7.060
229 HA MET 36 HA MET 36 111.375 -3.805 -8.125
230 1HB MET 36 1HB MET 36 108.714 -2.986 -8.843
231 2HB MET 36 2HB MET 36 109.861 -1.735 -9.301
232 1HG MET 36 1HG MET 36 110.690 -4.460 -9.988
233 2HG MET 36 2HG MET 36 109.229 -3.900 -10.806
234 1HE MET 36 1HE MET 36 112.619 -4.471 -11.852
235 2HE MET 36 2HE MET 36 112.940 -3.693 -10.302
236 3HE MET 36 3HE MET 36 113.482 -2.934 -11.799
237 H ARG 37 H ARG 37 109.565 -1.318 -6.355
238 HA ARG 37 HA ARG 37 112.087 0.109 -5.939
239 1HB ARG 37 1HB ARG 37 110.628 2.272 -6.227
240 2HB ARG 37 2HB ARG 37 111.359 1.495 -7.621
241 1HG ARG 37 1HG ARG 37 108.767 0.368 -7.118
242 2HG ARG 37 2HG ARG 37 108.660 2.125 -7.221
243 1HD ARG 37 1HD ARG 37 109.345 2.177 -9.405
244 2HD ARG 37 2HD ARG 37 110.282 0.690 -9.260
245 HE ARG 37 HE ARG 37 107.745 -0.179 -8.992
246 1HH1 ARG 37 1HH1 ARG 37 109.302 1.857 -11.362
247 2HH1 ARG 37 2HH1 ARG 37 108.253 1.372 -12.651
248 1HH2 ARG 37 1HH2 ARG 37 106.366 -0.819 -10.688
249 2HH2 ARG 37 2HH2 ARG 37 106.587 -0.148 -12.269
250 H LEU 38 H LEU 38 110.537 -1.568 -4.186
251 HA LEU 38 HA LEU 38 108.820 -0.328 -2.469
252 1HB LEU 38 1HB LEU 38 110.522 -2.646 -2.457
253 2HB LEU 38 2HB LEU 38 110.472 -1.914 -0.858
254 HG LEU 38 HG LEU 38 108.057 -2.738 -2.476
255 1HD1 LEU 38 1HD1 LEU 38 109.711 -4.078 -0.406
256 2HD1 LEU 38 2HD1 LEU 38 108.826 -4.762 -1.768
257 3HD1 LEU 38 3HD1 LEU 38 107.963 -4.278 -0.309
258 1HD2 LEU 38 1HD2 LEU 38 107.223 -2.389 0.065
259 2HD2 LEU 38 2HD2 LEU 38 107.122 -1.164 -1.197
260 3HD2 LEU 38 3HD2 LEU 38 108.459 -1.139 -0.050
261 H GLU 39 H GLU 39 112.342 -0.046 -2.551
262 HA GLU 39 HA GLU 39 112.546 1.375 -0.102
263 1HB GLU 39 1HB GLU 39 114.802 1.606 -0.544
264 2HB GLU 39 2HB GLU 39 114.395 0.137 -1.420
265 1HG GLU 39 1HG GLU 39 114.674 2.885 -2.614
266 2HG GLU 39 2HG GLU 39 115.859 1.585 -2.714
267 H ARG 40 H ARG 40 110.873 2.285 -2.679
268 HA ARG 40 HA ARG 40 111.626 5.119 -2.448
269 1HB ARG 40 1HB ARG 40 111.425 3.527 -4.720
270 2HB ARG 40 2HB ARG 40 109.932 4.456 -4.714
271 1HG ARG 40 1HG ARG 40 111.929 6.306 -4.127
272 2HG ARG 40 2HG ARG 40 112.611 5.277 -5.388
273 1HD ARG 40 1HD ARG 40 109.821 6.257 -5.716
274 2HD ARG 40 2HD ARG 40 111.142 7.397 -5.968
275 HE ARG 40 HE ARG 40 111.477 4.923 -7.387
276 1HH1 ARG 40 1HH1 ARG 40 110.035 8.100 -7.488
277 2HH1 ARG 40 2HH1 ARG 40 109.966 8.151 -9.218
278 1HH2 ARG 40 1HH2 ARG 40 111.387 4.988 -9.663
279 2HH2 ARG 40 2HH2 ARG 40 110.733 6.384 -10.454
280 H HIS 41 H HIS 41 109.324 2.775 -1.758
281 HA HIS 41 HA HIS 41 107.039 4.563 -1.768
282 1HB HIS 41 1HB HIS 41 107.509 1.656 -1.529
283 2HB HIS 41 2HB HIS 41 106.163 2.283 -0.591
284 HD1 HIS 41 HD1 HIS 41 104.391 3.754 -2.090
285 HD2 HIS 41 HD2 HIS 41 106.910 1.143 -4.115
286 HE1 HIS 41 HE1 HIS 41 103.337 3.415 -4.347
287 HE2 HIS 41 HE2 HIS 41 104.938 1.925 -5.594
288 H LEU 42 H LEU 42 109.589 3.936 0.269
289 HA LEU 42 HA LEU 42 108.166 4.076 2.765
290 1HB LEU 42 1HB LEU 42 111.098 4.189 2.065
291 2HB LEU 42 2HB LEU 42 110.471 4.183 3.708
292 HG LEU 42 HG LEU 42 109.433 1.968 2.139
293 1HD1 LEU 42 1HD1 LEU 42 112.115 2.582 1.618
294 2HD1 LEU 42 2HD1 LEU 42 111.246 1.095 1.233
295 3HD1 LEU 42 3HD1 LEU 42 112.129 1.230 2.758
296 1HD2 LEU 42 1HD2 LEU 42 109.344 2.303 4.597
297 2HD2 LEU 42 2HD2 LEU 42 111.084 2.017 4.641
298 3HD2 LEU 42 3HD2 LEU 42 109.991 0.744 4.092
299 H SER 43 H SER 43 108.043 5.813 4.113
300 HA SER 43 HA SER 43 108.288 8.408 2.899
301 1HB SER 43 1HB SER 43 107.714 8.939 5.512
302 2HB SER 43 2HB SER 43 106.497 8.563 4.289
303 HG SER 43 HG SER 43 107.170 7.169 6.482
304 H ALA 44 H ALA 44 109.391 10.212 4.100
305 HA ALA 44 HA ALA 44 112.103 9.872 4.203
306 1HB ALA 44 1HB ALA 44 111.019 12.066 4.172
307 2HB ALA 44 2HB ALA 44 112.229 11.968 5.450
308 3HB ALA 44 3HB ALA 44 110.515 11.843 5.847
309 H GLU 45 H GLU 45 109.843 9.643 6.921
310 HA GLU 45 HA GLU 45 111.759 9.159 8.924
311 1HB GLU 45 1HB GLU 45 109.674 7.796 9.912
312 2HB GLU 45 2HB GLU 45 109.765 9.549 9.950
313 1HG GLU 45 1HG GLU 45 108.531 8.343 7.554
314 2HG GLU 45 2HG GLU 45 107.639 8.201 9.067
315 H ASP 46 H ASP 46 109.688 6.876 7.170
316 HA ASP 46 HA ASP 46 110.752 4.524 8.156
317 1HB ASP 46 1HB ASP 46 109.642 5.019 5.385
318 2HB ASP 46 2HB ASP 46 109.832 3.440 6.150
319 H PHE 47 H PHE 47 111.617 6.114 5.062
320 HA PHE 47 HA PHE 47 113.664 4.395 4.341
321 1HB PHE 47 1HB PHE 47 112.558 6.376 3.062
322 2HB PHE 47 2HB PHE 47 113.854 7.334 3.783
323 HD1 PHE 47 HD1 PHE 47 113.248 4.267 1.786
324 HD2 PHE 47 HD2 PHE 47 115.923 7.429 2.764
325 HE1 PHE 47 HE1 PHE 47 114.787 3.526 -0.001
326 HE2 PHE 47 HE2 PHE 47 117.459 6.694 0.984
327 HZ PHE 47 HZ PHE 47 116.884 4.745 -0.403
328 H SER 48 H SER 48 114.009 7.553 5.959
329 HA SER 48 HA SER 48 116.765 7.295 6.444
330 1HB SER 48 1HB SER 48 115.761 9.475 6.507
331 2HB SER 48 2HB SER 48 114.655 8.991 7.793
332 HG SER 48 HG SER 48 116.785 10.198 8.246
333 H ARG 49 H ARG 49 114.120 5.749 7.931
334 HA ARG 49 HA ARG 49 115.514 5.334 10.456
335 1HB ARG 49 1HB ARG 49 113.126 5.800 10.559
336 2HB ARG 49 2HB ARG 49 112.788 4.427 9.516
337 1HG ARG 49 1HG ARG 49 112.340 3.470 11.518
338 2HG ARG 49 2HG ARG 49 114.070 3.130 11.443
339 1HD ARG 49 1HD ARG 49 114.150 4.102 13.459
340 2HD ARG 49 2HD ARG 49 114.037 5.618 12.561
341 HE ARG 49 HE ARG 49 111.453 4.964 12.917
342 1HH1 ARG 49 1HH1 ARG 49 114.146 5.151 15.130
343 2HH1 ARG 49 2HH1 ARG 49 113.160 5.573 16.490
344 1HH2 ARG 49 1HH2 ARG 49 110.156 5.520 14.704
345 2HH2 ARG 49 2HH2 ARG 49 110.895 5.783 16.248
346 H VAL 50 H VAL 50 114.637 3.592 7.538
347 HA VAL 50 HA VAL 50 115.622 1.078 8.634
348 HB VAL 50 HB VAL 50 114.672 1.552 5.814
349 1HG1 VAL 50 1HG1 VAL 50 115.978 -0.543 6.566
350 2HG1 VAL 50 2HG1 VAL 50 114.498 -0.749 5.628
351 3HG1 VAL 50 3HG1 VAL 50 114.478 -0.992 7.374
352 1HG2 VAL 50 1HG2 VAL 50 112.492 1.333 6.386
353 2HG2 VAL 50 2HG2 VAL 50 113.063 2.078 7.882
354 3HG2 VAL 50 3HG2 VAL 50 112.846 0.331 7.793
355 H PHE 51 H PHE 51 116.516 3.495 6.229
356 HA PHE 51 HA PHE 51 118.964 1.977 5.655
357 1HB PHE 51 1HB PHE 51 117.732 4.282 4.137
358 2HB PHE 51 2HB PHE 51 119.168 3.381 3.655
359 HD1 PHE 51 HD1 PHE 51 118.606 0.657 3.809
360 HD2 PHE 51 HD2 PHE 51 115.909 3.804 2.868
361 HE1 PHE 51 HE1 PHE 51 117.198 -0.928 2.552
362 HE2 PHE 51 HE2 PHE 51 114.493 2.222 1.611
363 HZ PHE 51 HZ PHE 51 115.147 -0.137 1.452
364 H ALA 52 H ALA 52 117.800 5.099 6.791
365 HA ALA 52 HA ALA 52 118.856 6.687 8.076
366 1HB ALA 52 1HB ALA 52 121.454 5.228 7.832
367 2HB ALA 52 2HB ALA 52 120.187 4.648 8.913
368 3HB ALA 52 3HB ALA 52 120.878 6.256 9.145
369 H MET 53 H MET 53 119.001 6.299 5.030
370 HA MET 53 HA MET 53 120.878 8.504 4.532
371 1HB MET 53 1HB MET 53 120.941 7.129 2.182
372 2HB MET 53 2HB MET 53 122.170 7.042 3.440
373 1HG MET 53 1HG MET 53 121.517 4.977 4.139
374 2HG MET 53 2HG MET 53 119.836 5.221 3.653
375 1HE MET 53 1HE MET 53 119.231 5.657 1.212
376 2HE MET 53 2HE MET 53 119.942 4.782 -0.145
377 3HE MET 53 3HE MET 53 120.677 6.280 0.415
378 H SER 54 H SER 54 120.425 9.679 2.559
379 HA SER 54 HA SER 54 117.687 10.404 2.445
380 1HB SER 54 1HB SER 54 119.441 12.054 2.124
381 2HB SER 54 2HB SER 54 120.039 11.179 0.707
382 HG SER 54 HG SER 54 117.835 12.847 0.978
383 HA PRO 55 HA PRO 55 116.005 7.661 -0.615
384 1HB PRO 55 1HB PRO 55 114.764 10.168 -1.662
385 2HB PRO 55 2HB PRO 55 114.008 8.614 -1.288
386 1HG PRO 55 1HG PRO 55 113.727 10.698 0.352
387 2HG PRO 55 2HG PRO 55 113.918 9.052 0.986
388 1HD PRO 55 1HD PRO 55 115.878 11.294 0.912
389 2HD PRO 55 2HD PRO 55 115.692 9.990 2.106
390 H GLU 56 H GLU 56 117.526 10.712 -1.384
391 HA GLU 56 HA GLU 56 117.972 10.066 -4.155
392 1HB GLU 56 1HB GLU 56 119.091 12.163 -4.303
393 2HB GLU 56 2HB GLU 56 117.712 12.411 -3.236
394 1HG GLU 56 1HG GLU 56 119.297 13.488 -2.033
395 2HG GLU 56 2HG GLU 56 119.512 11.860 -1.379
396 H GLU 57 H GLU 57 119.691 9.886 -1.114
397 HA GLU 57 HA GLU 57 122.281 9.445 -2.000
398 1HB GLU 57 1HB GLU 57 120.785 8.871 0.492
399 2HB GLU 57 2HB GLU 57 122.134 7.787 0.182
400 1HG GLU 57 1HG GLU 57 123.581 9.796 -0.120
401 2HG GLU 57 2HG GLU 57 122.220 10.777 0.420
402 H PHE 58 H PHE 58 119.749 7.013 -1.342
403 HA PHE 58 HA PHE 58 121.011 4.667 -1.973
404 1HB PHE 58 1HB PHE 58 118.435 5.373 -1.493
405 2HB PHE 58 2HB PHE 58 118.330 5.018 -3.215
406 HD1 PHE 58 HD1 PHE 58 118.432 3.658 0.095
407 HD2 PHE 58 HD2 PHE 58 119.066 2.727 -4.010
408 HE1 PHE 58 HE1 PHE 58 118.202 1.267 0.609
409 HE2 PHE 58 HE2 PHE 58 118.834 0.330 -3.501
410 HZ PHE 58 HZ PHE 58 118.403 -0.406 -1.190
411 H GLY 59 H GLY 59 119.121 6.495 -4.401
412 1HA GLY 59 1HA GLY 59 119.955 5.090 -6.636
413 2HA GLY 59 2HA GLY 59 119.438 6.768 -6.660
414 H LYS 60 H LYS 60 121.715 7.430 -4.784
415 HA LYS 60 HA LYS 60 123.729 7.712 -6.885
416 1HB LYS 60 1HB LYS 60 123.028 9.222 -4.419
417 2HB LYS 60 2HB LYS 60 124.717 9.236 -4.926
418 1HG LYS 60 1HG LYS 60 124.068 11.019 -6.122
419 2HG LYS 60 2HG LYS 60 123.509 9.795 -7.270
420 1HD LYS 60 1HD LYS 60 121.290 9.860 -6.070
421 2HD LYS 60 2HD LYS 60 121.889 11.276 -5.205
422 1HE LYS 60 1HE LYS 60 122.071 12.531 -7.206
423 2HE LYS 60 2HE LYS 60 121.840 11.099 -8.208
424 1HZ LYS 60 1HZ LYS 60 119.569 10.938 -7.331
425 2HZ LYS 60 2HZ LYS 60 119.831 12.393 -8.151
426 3HZ LYS 60 3HZ LYS 60 119.802 12.371 -6.460
427 H LEU 61 H LEU 61 123.111 5.522 -4.522
428 HA LEU 61 HA LEU 61 125.726 5.272 -3.400
429 1HB LEU 61 1HB LEU 61 123.258 3.529 -3.314
430 2HB LEU 61 2HB LEU 61 124.712 3.202 -2.402
431 HG LEU 61 HG LEU 61 122.756 5.418 -2.017
432 1HD1 LEU 61 1HD1 LEU 61 123.404 4.402 0.403
433 2HD1 LEU 61 2HD1 LEU 61 123.583 2.985 -0.631
434 3HD1 LEU 61 3HD1 LEU 61 122.052 3.856 -0.589
435 1HD2 LEU 61 1HD2 LEU 61 124.344 6.289 -0.286
436 2HD2 LEU 61 2HD2 LEU 61 124.854 6.552 -1.954
437 3HD2 LEU 61 3HD2 LEU 61 125.585 5.260 -1.002
438 H ALA 62 H ALA 62 125.513 2.281 -3.614
439 HA ALA 62 HA ALA 62 126.393 1.947 -6.395
440 1HB ALA 62 1HB ALA 62 127.686 0.538 -4.079
441 2HB ALA 62 2HB ALA 62 128.274 2.075 -4.711
442 3HB ALA 62 3HB ALA 62 128.250 0.646 -5.745
443 H LEU 63 H LEU 63 126.583 -0.476 -6.940
444 HA LEU 63 HA LEU 63 124.014 -1.635 -6.631
445 1HB LEU 63 1HB LEU 63 125.651 -1.887 -8.566
446 2HB LEU 63 2HB LEU 63 126.478 -3.074 -7.574
447 HG LEU 63 HG LEU 63 123.650 -3.657 -7.713
448 1HD1 LEU 63 1HD1 LEU 63 123.429 -2.772 -9.826
449 2HD1 LEU 63 2HD1 LEU 63 123.902 -4.433 -10.176
450 3HD1 LEU 63 3HD1 LEU 63 125.096 -3.139 -10.272
451 1HD2 LEU 63 1HD2 LEU 63 125.697 -5.393 -8.958
452 2HD2 LEU 63 2HD2 LEU 63 124.398 -5.794 -7.834
453 3HD2 LEU 63 3HD2 LEU 63 125.878 -5.041 -7.239
454 H TRP 64 H TRP 64 126.999 -1.991 -4.896
455 HA TRP 64 HA TRP 64 126.150 -4.413 -3.566
456 1HB TRP 64 1HB TRP 64 128.357 -4.065 -2.378
457 2HB TRP 64 2HB TRP 64 128.479 -4.258 -4.132
458 HD1 TRP 64 HD1 TRP 64 129.469 -2.232 -5.479
459 HE1 TRP 64 HE1 TRP 64 130.393 0.067 -4.800
460 HE3 TRP 64 HE3 TRP 64 127.905 -2.211 -0.739
461 HZ2 TRP 64 HZ2 TRP 64 130.443 1.680 -2.430
462 HZ3 TRP 64 HZ3 TRP 64 128.426 -0.258 0.708
463 HH2 TRP 64 HH2 TRP 64 129.654 1.641 -0.135
464 H LYS 65 H LYS 65 126.458 -0.993 -3.101
465 HA LYS 65 HA LYS 65 125.905 -0.980 -0.297
466 1HB LYS 65 1HB LYS 65 126.865 0.897 -1.961
467 2HB LYS 65 2HB LYS 65 125.169 1.369 -1.968
468 1HG LYS 65 1HG LYS 65 127.114 1.362 0.306
469 2HG LYS 65 2HG LYS 65 126.091 2.671 -0.288
470 1HD LYS 65 1HD LYS 65 124.117 1.556 0.575
471 2HD LYS 65 2HD LYS 65 125.093 0.179 1.095
472 1HE LYS 65 1HE LYS 65 124.791 1.430 3.044
473 2HE LYS 65 2HE LYS 65 126.407 1.885 2.485
474 1HZ LYS 65 1HZ LYS 65 125.366 3.851 1.425
475 2HZ LYS 65 2HZ LYS 65 125.239 3.849 3.112
476 3HZ LYS 65 3HZ LYS 65 123.900 3.442 2.163
477 H ARG 66 H ARG 66 123.934 -0.062 -3.131
478 HA ARG 66 HA ARG 66 121.497 0.290 -1.878
479 1HB ARG 66 1HB ARG 66 122.055 -0.873 -4.608
480 2HB ARG 66 2HB ARG 66 120.480 -0.315 -4.066
481 1HG ARG 66 1HG ARG 66 121.343 1.933 -3.798
482 2HG ARG 66 2HG ARG 66 122.947 1.381 -4.284
483 1HD ARG 66 1HD ARG 66 120.875 0.661 -6.199
484 2HD ARG 66 2HD ARG 66 121.000 2.407 -5.947
485 HE ARG 66 HE ARG 66 123.571 1.652 -6.299
486 1HH1 ARG 66 1HH1 ARG 66 120.658 1.102 -8.139
487 2HH1 ARG 66 2HH1 ARG 66 121.484 1.023 -9.659
488 1HH2 ARG 66 1HH2 ARG 66 124.660 1.547 -8.296
489 2HH2 ARG 66 2HH2 ARG 66 123.755 1.274 -9.749
490 H ASN 67 H ASN 67 122.986 -2.646 -3.088
491 HA ASN 67 HA ASN 67 120.885 -4.433 -2.626
492 1HB ASN 67 1HB ASN 67 123.792 -4.632 -3.038
493 2HB ASN 67 2HB ASN 67 123.105 -5.962 -2.103
494 1HD2 ASN 67 1HD2 ASN 67 122.483 -4.077 -5.044
495 2HD2 ASN 67 2HD2 ASN 67 121.944 -5.417 -5.992
496 H GLU 68 H GLU 68 123.766 -4.121 -0.558
497 HA GLU 68 HA GLU 68 122.990 -5.512 1.622
498 1HB GLU 68 1HB GLU 68 124.724 -3.128 1.256
499 2HB GLU 68 2HB GLU 68 124.292 -3.567 2.903
500 1HG GLU 68 1HG GLU 68 125.434 -5.561 2.819
501 2HG GLU 68 2HG GLU 68 125.350 -5.657 1.061
502 H LEU 69 H LEU 69 122.016 -2.188 0.872
503 HA LEU 69 HA LEU 69 120.724 -1.684 3.329
504 1HB LEU 69 1HB LEU 69 119.938 -0.515 0.673
505 2HB LEU 69 2HB LEU 69 119.698 0.178 2.266
506 HG LEU 69 HG LEU 69 122.458 -0.376 1.423
507 1HD1 LEU 69 1HD1 LEU 69 121.731 2.271 0.640
508 2HD1 LEU 69 2HD1 LEU 69 120.742 1.095 -0.217
509 3HD1 LEU 69 3HD1 LEU 69 122.497 1.001 -0.306
510 1HD2 LEU 69 1HD2 LEU 69 122.368 0.487 3.564
511 2HD2 LEU 69 2HD2 LEU 69 121.027 1.565 3.177
512 3HD2 LEU 69 3HD2 LEU 69 122.651 1.931 2.592
513 H LYS 70 H LYS 70 119.289 -2.382 0.171
514 HA LYS 70 HA LYS 70 116.693 -2.947 1.139
515 1HB LYS 70 1HB LYS 70 118.183 -3.515 -1.389
516 2HB LYS 70 2HB LYS 70 116.669 -4.359 -1.100
517 1HG LYS 70 1HG LYS 70 115.410 -2.449 -1.245
518 2HG LYS 70 2HG LYS 70 116.754 -1.401 -0.776
519 1HD LYS 70 1HD LYS 70 116.870 -0.918 -2.966
520 2HD LYS 70 2HD LYS 70 117.673 -2.483 -3.108
521 1HE LYS 70 1HE LYS 70 114.707 -2.447 -3.168
522 2HE LYS 70 2HE LYS 70 115.557 -1.825 -4.581
523 1HZ LYS 70 1HZ LYS 70 115.468 -3.999 -5.146
524 2HZ LYS 70 2HZ LYS 70 115.414 -4.547 -3.547
525 3HZ LYS 70 3HZ LYS 70 116.888 -4.069 -4.225
526 H LYS 71 H LYS 71 119.618 -4.714 1.174
527 HA LYS 71 HA LYS 71 118.410 -7.319 1.492
528 1HB LYS 71 1HB LYS 71 121.256 -6.293 1.590
529 2HB LYS 71 2HB LYS 71 120.839 -7.977 1.913
530 1HG LYS 71 1HG LYS 71 119.678 -6.991 -0.556
531 2HG LYS 71 2HG LYS 71 121.436 -6.863 -0.534
532 1HD LYS 71 1HD LYS 71 120.101 -9.398 0.331
533 2HD LYS 71 2HD LYS 71 120.329 -9.054 -1.385
534 1HE LYS 71 1HE LYS 71 122.766 -8.645 -0.839
535 2HE LYS 71 2HE LYS 71 122.433 -9.339 0.747
536 1HZ LYS 71 1HZ LYS 71 122.372 -10.654 -1.892
537 2HZ LYS 71 2HZ LYS 71 121.506 -11.300 -0.592
538 3HZ LYS 71 3HZ LYS 71 123.185 -11.129 -0.486
539 H LYS 72 H LYS 72 119.654 -4.756 3.491
540 HA LYS 72 HA LYS 72 119.522 -6.406 5.888
541 1HB LYS 72 1HB LYS 72 121.501 -5.035 5.724
542 2HB LYS 72 2HB LYS 72 120.534 -3.600 5.411
543 1HG LYS 72 1HG LYS 72 119.707 -4.755 7.888
544 2HG LYS 72 2HG LYS 72 121.465 -4.577 7.885
545 1HD LYS 72 1HD LYS 72 121.098 -2.450 8.470
546 2HD LYS 72 2HD LYS 72 120.598 -2.199 6.797
547 1HE LYS 72 1HE LYS 72 118.524 -1.744 7.453
548 2HE LYS 72 2HE LYS 72 118.412 -3.302 8.269
549 1HZ LYS 72 1HZ LYS 72 118.828 -2.385 10.265
550 2HZ LYS 72 2HZ LYS 72 118.263 -0.970 9.531
551 3HZ LYS 72 3HZ LYS 72 119.926 -1.250 9.658
552 H ALA 73 H ALA 73 117.839 -4.013 4.129
553 HA ALA 73 HA ALA 73 116.154 -3.128 6.290
554 1HB ALA 73 1HB ALA 73 116.482 -2.519 3.407
555 2HB ALA 73 2HB ALA 73 116.388 -1.427 4.787
556 3HB ALA 73 3HB ALA 73 114.920 -2.166 4.146
557 H GLU 74 H GLU 74 116.304 -6.007 4.858
558 HA GLU 74 HA GLU 74 114.866 -7.742 4.591
559 1HB GLU 74 1HB GLU 74 113.115 -5.870 6.177
560 2HB GLU 74 2HB GLU 74 112.558 -7.453 5.662
561 1HG GLU 74 1HG GLU 74 113.309 -7.813 7.822
562 2HG GLU 74 2HG GLU 74 114.657 -8.354 6.823
563 H LEU 75 H LEU 75 114.944 -5.294 2.727
564 HA LEU 75 HA LEU 75 112.655 -6.149 1.151
565 1HB LEU 75 1HB LEU 75 112.817 -3.477 0.493
566 2HB LEU 75 2HB LEU 75 111.572 -4.238 1.475
567 HG LEU 75 HG LEU 75 113.759 -3.624 3.151
568 1HD1 LEU 75 1HD1 LEU 75 113.490 -1.049 2.796
569 2HD1 LEU 75 2HD1 LEU 75 113.135 -1.530 1.133
570 3HD1 LEU 75 3HD1 LEU 75 114.680 -1.965 1.867
571 1HD2 LEU 75 1HD2 LEU 75 110.905 -3.041 2.881
572 2HD2 LEU 75 2HD2 LEU 75 111.821 -1.804 3.742
573 3HD2 LEU 75 3HD2 LEU 75 111.845 -3.472 4.312
574 H PHE 76 H PHE 76 114.703 -7.327 0.335
575 HA PHE 76 HA PHE 76 115.697 -5.753 -1.951
576 1HB PHE 76 1HB PHE 76 117.716 -6.013 -0.903
577 2HB PHE 76 2HB PHE 76 117.218 -7.480 -0.055
578 HD1 PHE 76 HD1 PHE 76 117.290 -9.654 -1.230
579 HD2 PHE 76 HD2 PHE 76 118.783 -6.091 -3.014
580 HE1 PHE 76 HE1 PHE 76 118.517 -11.001 -2.884
581 HE2 PHE 76 HE2 PHE 76 120.013 -7.430 -4.671
582 HZ PHE 76 HZ PHE 76 119.881 -9.888 -4.608
Start of MODEL 12
1 HT1 PRO 9 HT1 PRO 9 101.695 14.511 -6.773
2 HT2 PRO 9 HT2 PRO 9 103.122 14.000 -6.133
3 HA PRO 9 HA PRO 9 102.093 13.391 -8.436
4 1HB PRO 9 1HB PRO 9 104.477 14.710 -9.434
5 2HB PRO 9 2HB PRO 9 102.820 14.781 -10.049
6 1HG PRO 9 1HG PRO 9 104.039 16.881 -8.821
7 2HG PRO 9 2HG PRO 9 102.287 16.612 -8.784
8 1HD PRO 9 1HD PRO 9 104.346 15.973 -6.692
9 2HD PRO 9 2HD PRO 9 102.740 16.701 -6.498
10 H GLY 10 H GLY 10 102.699 11.438 -7.457
11 1HA GLY 10 1HA GLY 10 105.183 10.371 -8.249
12 2HA GLY 10 2HA GLY 10 105.269 10.786 -6.545
13 H LEU 11 H LEU 11 105.199 8.938 -5.490
14 HA LEU 11 HA LEU 11 103.060 7.037 -6.168
15 1HB LEU 11 1HB LEU 11 104.828 5.543 -4.747
16 2HB LEU 11 2HB LEU 11 104.736 5.598 -6.497
17 HG LEU 11 HG LEU 11 106.442 7.598 -6.187
18 1HD1 LEU 11 1HD1 LEU 11 107.997 7.092 -4.325
19 2HD1 LEU 11 2HD1 LEU 11 106.812 5.947 -3.695
20 3HD1 LEU 11 3HD1 LEU 11 106.418 7.664 -3.786
21 1HD2 LEU 11 1HD2 LEU 11 106.609 5.111 -7.131
22 2HD2 LEU 11 2HD2 LEU 11 107.692 4.956 -5.748
23 3HD2 LEU 11 3HD2 LEU 11 108.008 6.174 -6.985
24 H GLN 12 H GLN 12 102.336 5.690 -4.312
25 HA GLN 12 HA GLN 12 101.669 7.396 -2.100
26 1HB GLN 12 1HB GLN 12 100.628 5.123 -1.270
27 2HB GLN 12 2HB GLN 12 99.875 6.043 -2.564
28 1HG GLN 12 1HG GLN 12 101.872 4.009 -3.350
29 2HG GLN 12 2HG GLN 12 100.335 3.427 -2.716
30 1HE2 GLN 12 1HE2 GLN 12 101.648 3.495 -5.450
31 2HE2 GLN 12 2HE2 GLN 12 100.420 4.127 -6.486
32 H ILE 13 H ILE 13 102.097 6.983 0.122
33 HA ILE 13 HA ILE 13 104.398 5.232 0.633
34 HB ILE 13 HB ILE 13 104.058 8.003 1.782
35 1HG1 ILE 13 1HG1 ILE 13 105.736 6.944 -0.490
36 2HG1 ILE 13 2HG1 ILE 13 104.621 8.310 -0.500
37 1HG2 ILE 13 1HG2 ILE 13 106.039 7.689 2.932
38 2HG2 ILE 13 2HG2 ILE 13 106.552 6.359 1.893
39 3HG2 ILE 13 3HG2 ILE 13 105.267 6.110 3.074
40 1HD1 ILE 13 1HD1 ILE 13 106.388 9.612 -0.218
41 2HD1 ILE 13 2HD1 ILE 13 107.436 8.229 0.101
42 3HD1 ILE 13 3HD1 ILE 13 106.520 8.964 1.417
43 H TYR 14 H TYR 14 104.040 3.844 2.205
44 HA TYR 14 HA TYR 14 102.165 4.533 4.366
45 1HB TYR 14 1HB TYR 14 102.409 1.728 3.294
46 2HB TYR 14 2HB TYR 14 101.123 2.426 4.271
47 HD1 TYR 14 HD1 TYR 14 102.571 2.346 0.870
48 HD2 TYR 14 HD2 TYR 14 99.260 3.484 3.287
49 HE1 TYR 14 HE1 TYR 14 101.247 2.763 -1.152
50 HE2 TYR 14 HE2 TYR 14 97.924 3.909 1.270
51 HH TYR 14 HH TYR 14 98.402 2.772 -1.523
52 HA PRO 15 HA PRO 15 104.872 2.983 7.530
53 1HB PRO 15 1HB PRO 15 103.526 0.304 7.497
54 2HB PRO 15 2HB PRO 15 103.986 1.315 8.878
55 1HG PRO 15 1HG PRO 15 101.460 1.241 8.073
56 2HG PRO 15 2HG PRO 15 102.198 2.774 8.572
57 1HD PRO 15 1HD PRO 15 101.542 1.784 5.843
58 2HD PRO 15 2HD PRO 15 101.526 3.445 6.475
59 H TYR 16 H TYR 16 106.571 1.296 7.993
60 HA TYR 16 HA TYR 16 107.853 0.597 5.519
61 1HB TYR 16 1HB TYR 16 109.408 1.397 6.995
62 2HB TYR 16 2HB TYR 16 108.600 0.702 8.395
63 HD1 TYR 16 HD1 TYR 16 110.488 -0.357 5.355
64 HD2 TYR 16 HD2 TYR 16 109.551 -1.101 9.430
65 HE1 TYR 16 HE1 TYR 16 112.133 -2.181 5.379
66 HE2 TYR 16 HE2 TYR 16 111.193 -2.935 9.483
67 HH TYR 16 HH TYR 16 112.296 -4.457 7.907
68 H GLU 17 H GLU 17 107.098 -1.300 8.450
69 HA GLU 17 HA GLU 17 107.690 -3.817 7.591
70 1HB GLU 17 1HB GLU 17 105.434 -2.865 9.344
71 2HB GLU 17 2HB GLU 17 105.745 -4.574 9.070
72 1HG GLU 17 1HG GLU 17 108.187 -3.877 9.800
73 2HG GLU 17 2HG GLU 17 107.306 -2.577 10.607
74 H MET 18 H MET 18 105.007 -1.863 6.541
75 HA MET 18 HA MET 18 103.491 -4.003 5.404
76 1HB MET 18 1HB MET 18 103.207 -1.170 5.774
77 2HB MET 18 2HB MET 18 102.819 -1.584 4.112
78 1HG MET 18 1HG MET 18 101.044 -2.937 4.725
79 2HG MET 18 2HG MET 18 101.642 -3.139 6.374
80 1HE MET 18 1HE MET 18 98.481 -2.357 5.794
81 2HE MET 18 2HE MET 18 98.380 -1.327 7.221
82 3HE MET 18 3HE MET 18 99.326 -2.815 7.273
83 H LEU 19 H LEU 19 105.859 -1.698 4.166
84 HA LEU 19 HA LEU 19 105.585 -2.701 1.446
85 1HB LEU 19 1HB LEU 19 107.727 -0.811 2.352
86 2HB LEU 19 2HB LEU 19 106.947 -0.927 0.785
87 HG LEU 19 HG LEU 19 105.773 0.210 3.312
88 1HD1 LEU 19 1HD1 LEU 19 107.091 1.333 0.960
89 2HD1 LEU 19 2HD1 LEU 19 106.827 2.031 2.558
90 3HD1 LEU 19 3HD1 LEU 19 105.544 2.086 1.349
91 1HD2 LEU 19 1HD2 LEU 19 104.187 0.647 0.970
92 2HD2 LEU 19 2HD2 LEU 19 103.732 -0.083 2.510
93 3HD2 LEU 19 3HD2 LEU 19 104.421 -1.081 1.231
94 H VAL 20 H VAL 20 106.954 -4.084 3.996
95 HA VAL 20 HA VAL 20 109.628 -4.544 3.255
96 HB VAL 20 HB VAL 20 107.836 -6.479 4.725
97 1HG1 VAL 20 1HG1 VAL 20 110.818 -6.096 4.638
98 2HG1 VAL 20 2HG1 VAL 20 109.906 -7.514 4.108
99 3HG1 VAL 20 3HG1 VAL 20 109.989 -7.101 5.823
100 1HG2 VAL 20 1HG2 VAL 20 108.235 -5.376 6.707
101 2HG2 VAL 20 2HG2 VAL 20 107.978 -4.046 5.574
102 3HG2 VAL 20 3HG2 VAL 20 109.614 -4.490 6.059
103 H VAL 21 H VAL 21 110.506 -6.653 2.411
104 HA VAL 21 HA VAL 21 108.878 -7.435 0.113
105 HB VAL 21 HB VAL 21 111.812 -7.906 0.628
106 1HG1 VAL 21 1HG1 VAL 21 110.068 -9.133 -1.222
107 2HG1 VAL 21 2HG1 VAL 21 111.826 -9.247 -1.145
108 3HG1 VAL 21 3HG1 VAL 21 111.066 -7.998 -2.131
109 1HG2 VAL 21 1HG2 VAL 21 110.957 -5.514 0.324
110 2HG2 VAL 21 2HG2 VAL 21 110.637 -5.980 -1.346
111 3HG2 VAL 21 3HG2 VAL 21 112.278 -6.052 -0.711
112 H THR 22 H THR 22 111.217 -9.225 2.169
113 HA THR 22 HA THR 22 109.546 -11.596 1.736
114 HB THR 22 HB THR 22 111.987 -11.551 1.069
115 HG1 THR 22 HG1 THR 22 110.694 -13.477 1.462
116 1HG2 THR 22 1HG2 THR 22 112.872 -10.497 3.121
117 2HG2 THR 22 2HG2 THR 22 113.658 -12.021 2.709
118 3HG2 THR 22 3HG2 THR 22 112.464 -11.967 4.006
119 H ASN 23 H ASN 23 111.368 -10.036 4.353
120 HA ASN 23 HA ASN 23 110.766 -11.687 6.435
121 1HB ASN 23 1HB ASN 23 110.906 -8.671 6.550
122 2HB ASN 23 2HB ASN 23 111.096 -9.767 7.920
123 1HD2 ASN 23 1HD2 ASN 23 112.506 -8.640 4.934
124 2HD2 ASN 23 2HD2 ASN 23 114.112 -9.197 5.250
125 H LYS 24 H LYS 24 108.650 -9.172 5.100
126 HA LYS 24 HA LYS 24 106.556 -10.135 6.938
127 1HB LYS 24 1HB LYS 24 107.375 -7.436 6.139
128 2HB LYS 24 2HB LYS 24 105.636 -7.704 6.087
129 1HG LYS 24 1HG LYS 24 106.408 -6.785 8.233
130 2HG LYS 24 2HG LYS 24 105.627 -8.358 8.405
131 1HD LYS 24 1HD LYS 24 107.586 -8.333 9.790
132 2HD LYS 24 2HD LYS 24 107.889 -9.404 8.422
133 1HE LYS 24 1HE LYS 24 109.826 -8.233 8.329
134 2HE LYS 24 2HE LYS 24 108.829 -7.120 7.394
135 1HZ LYS 24 1HZ LYS 24 110.018 -5.888 9.034
136 2HZ LYS 24 2HZ LYS 24 109.503 -6.913 10.277
137 3HZ LYS 24 3HZ LYS 24 108.389 -5.910 9.492
138 H GLY 25 H GLY 25 107.241 -11.183 4.224
139 1HA GLY 25 1HA GLY 25 105.097 -12.143 3.167
140 2HA GLY 25 2HA GLY 25 104.761 -10.461 2.800
141 H ARG 26 H ARG 26 104.870 -10.393 0.644
142 HA ARG 26 HA ARG 26 107.446 -10.767 -0.614
143 1HB ARG 26 1HB ARG 26 106.304 -12.130 -2.473
144 2HB ARG 26 2HB ARG 26 106.756 -12.964 -0.995
145 1HG ARG 26 1HG ARG 26 103.989 -11.904 -1.508
146 2HG ARG 26 2HG ARG 26 104.500 -13.536 -1.929
147 1HD ARG 26 1HD ARG 26 105.309 -13.450 0.630
148 2HD ARG 26 2HD ARG 26 103.941 -12.339 0.715
149 HE ARG 26 HE ARG 26 102.894 -14.448 -0.585
150 1HH1 ARG 26 1HH1 ARG 26 104.743 -14.199 2.366
151 2HH1 ARG 26 2HH1 ARG 26 104.010 -15.591 3.088
152 1HH2 ARG 26 1HH2 ARG 26 101.929 -16.278 0.366
153 2HH2 ARG 26 2HH2 ARG 26 102.413 -16.772 1.954
154 H THR 27 H THR 27 104.001 -10.150 -1.144
155 HA THR 27 HA THR 27 104.613 -7.680 -2.514
156 HB THR 27 HB THR 27 103.757 -10.139 -3.844
157 HG1 THR 27 HG1 THR 27 104.883 -7.687 -4.685
158 1HG2 THR 27 1HG2 THR 27 101.604 -9.073 -3.974
159 2HG2 THR 27 2HG2 THR 27 102.388 -9.054 -5.555
160 3HG2 THR 27 3HG2 THR 27 102.345 -7.589 -4.575
161 H LYS 28 H LYS 28 103.204 -8.904 -0.126
162 HA LYS 28 HA LYS 28 100.450 -8.223 -0.478
163 1HB LYS 28 1HB LYS 28 102.116 -9.255 1.774
164 2HB LYS 28 2HB LYS 28 100.462 -8.723 2.057
165 1HG LYS 28 1HG LYS 28 100.654 -11.155 1.691
166 2HG LYS 28 2HG LYS 28 99.610 -10.355 0.516
167 1HD LYS 28 1HD LYS 28 101.854 -10.242 -0.887
168 2HD LYS 28 2HD LYS 28 102.289 -11.605 0.142
169 1HE LYS 28 1HE LYS 28 99.846 -11.401 -1.612
170 2HE LYS 28 2HE LYS 28 101.283 -12.371 -1.937
171 1HZ LYS 28 1HZ LYS 28 100.050 -12.879 0.626
172 2HZ LYS 28 2HZ LYS 28 100.612 -13.967 -0.541
173 3HZ LYS 28 3HZ LYS 28 99.076 -13.274 -0.701
174 H LEU 29 H LEU 29 102.793 -6.127 -0.424
175 HA LEU 29 HA LEU 29 102.367 -4.449 1.783
176 1HB LEU 29 1HB LEU 29 102.765 -2.930 -0.676
177 2HB LEU 29 2HB LEU 29 103.683 -2.907 0.811
178 HG LEU 29 HG LEU 29 105.119 -3.437 -1.013
179 1HD1 LEU 29 1HD1 LEU 29 105.875 -4.603 0.859
180 2HD1 LEU 29 2HD1 LEU 29 105.757 -5.873 -0.360
181 3HD1 LEU 29 3HD1 LEU 29 104.496 -5.701 0.864
182 1HD2 LEU 29 1HD2 LEU 29 102.904 -4.678 -2.062
183 2HD2 LEU 29 2HD2 LEU 29 104.044 -5.994 -1.773
184 3HD2 LEU 29 3HD2 LEU 29 104.522 -4.615 -2.755
185 HA PRO 30 HA PRO 30 98.565 -2.277 1.253
186 1HB PRO 30 1HB PRO 30 100.038 0.258 0.773
187 2HB PRO 30 2HB PRO 30 98.836 -0.125 2.013
188 1HG PRO 30 1HG PRO 30 101.438 0.099 2.612
189 2HG PRO 30 2HG PRO 30 100.397 -1.091 3.417
190 1HD PRO 30 1HD PRO 30 102.435 -1.501 1.265
191 2HD PRO 30 2HD PRO 30 101.999 -2.555 2.626
192 HA PRO 31 HA PRO 31 97.902 -1.355 -3.047
193 1HB PRO 31 1HB PRO 31 96.357 0.839 -3.206
194 2HB PRO 31 2HB PRO 31 95.766 -0.670 -2.496
195 1HG PRO 31 1HG PRO 31 96.707 1.819 -1.148
196 2HG PRO 31 2HG PRO 31 95.382 0.733 -0.703
197 1HD PRO 31 1HD PRO 31 97.899 0.731 0.454
198 2HD PRO 31 2HD PRO 31 96.761 -0.628 0.496
199 H GLY 32 H GLY 32 99.763 -0.885 -4.140
200 1HA GLY 32 1HA GLY 32 100.664 0.819 -5.648
201 2HA GLY 32 2HA GLY 32 100.489 1.974 -4.336
202 H VAL 33 H VAL 33 101.743 -1.260 -3.864
203 HA VAL 33 HA VAL 33 104.488 -0.262 -3.717
204 HB VAL 33 HB VAL 33 104.045 -2.067 -1.553
205 1HG1 VAL 33 1HG1 VAL 33 104.743 0.777 -1.149
206 2HG1 VAL 33 2HG1 VAL 33 105.819 -0.205 -2.143
207 3HG1 VAL 33 3HG1 VAL 33 105.483 -0.676 -0.478
208 1HG2 VAL 33 1HG2 VAL 33 102.249 0.328 -1.696
209 2HG2 VAL 33 2HG2 VAL 33 102.801 -0.307 -0.149
210 3HG2 VAL 33 3HG2 VAL 33 101.849 -1.323 -1.229
211 H ASP 34 H ASP 34 105.936 -1.573 -4.542
212 HA ASP 34 HA ASP 34 105.396 -4.436 -4.728
213 1HB ASP 34 1HB ASP 34 104.543 -3.378 -6.828
214 2HB ASP 34 2HB ASP 34 106.175 -2.787 -7.143
215 H ARG 35 H ARG 35 107.246 -5.711 -4.864
216 HA ARG 35 HA ARG 35 109.526 -4.865 -3.586
217 1HB ARG 35 1HB ARG 35 110.633 -6.872 -4.735
218 2HB ARG 35 2HB ARG 35 109.224 -7.179 -3.728
219 1HG ARG 35 1HG ARG 35 108.536 -6.668 -6.509
220 2HG ARG 35 2HG ARG 35 109.600 -8.064 -6.299
221 1HD ARG 35 1HD ARG 35 107.920 -8.657 -4.375
222 2HD ARG 35 2HD ARG 35 106.831 -7.609 -5.281
223 HE ARG 35 HE ARG 35 107.700 -9.235 -7.204
224 1HH1 ARG 35 1HH1 ARG 35 106.538 -9.947 -3.992
225 2HH1 ARG 35 2HH1 ARG 35 105.906 -11.498 -4.431
226 1HH2 ARG 35 1HH2 ARG 35 106.869 -11.272 -7.781
227 2HH2 ARG 35 2HH2 ARG 35 106.093 -12.250 -6.581
228 H MET 36 H MET 36 108.687 -4.411 -6.917
229 HA MET 36 HA MET 36 111.138 -4.131 -8.144
230 1HB MET 36 1HB MET 36 108.430 -3.350 -8.680
231 2HB MET 36 2HB MET 36 109.511 -2.040 -9.136
232 1HG MET 36 1HG MET 36 110.449 -4.652 -10.011
233 2HG MET 36 2HG MET 36 108.871 -4.218 -10.672
234 1HE MET 36 1HE MET 36 112.271 -1.652 -10.195
235 2HE MET 36 2HE MET 36 112.961 -2.605 -11.509
236 3HE MET 36 3HE MET 36 112.393 -3.406 -10.044
237 H ARG 37 H ARG 37 109.411 -1.770 -6.149
238 HA ARG 37 HA ARG 37 111.913 -0.364 -5.686
239 1HB ARG 37 1HB ARG 37 110.656 1.855 -6.095
240 2HB ARG 37 2HB ARG 37 111.273 0.974 -7.482
241 1HG ARG 37 1HG ARG 37 108.556 0.213 -6.765
242 2HG ARG 37 2HG ARG 37 108.719 1.920 -7.177
243 1HD ARG 37 1HD ARG 37 110.209 0.379 -9.056
244 2HD ARG 37 2HD ARG 37 108.592 -0.309 -8.918
245 HE ARG 37 HE ARG 37 108.193 2.388 -9.154
246 1HH1 ARG 37 1HH1 ARG 37 109.786 -0.062 -11.063
247 2HH1 ARG 37 2HH1 ARG 37 109.480 0.735 -12.569
248 1HH2 ARG 37 1HH2 ARG 37 107.788 3.436 -11.137
249 2HH2 ARG 37 2HH2 ARG 37 108.345 2.719 -12.611
250 H LEU 38 H LEU 38 110.645 -1.902 -3.866
251 HA LEU 38 HA LEU 38 108.681 -0.641 -2.323
252 1HB LEU 38 1HB LEU 38 110.614 -2.851 -1.895
253 2HB LEU 38 2HB LEU 38 109.875 -2.139 -0.466
254 HG LEU 38 HG LEU 38 108.378 -3.329 -2.799
255 1HD1 LEU 38 1HD1 LEU 38 108.870 -5.265 -1.812
256 2HD1 LEU 38 2HD1 LEU 38 107.733 -4.765 -0.561
257 3HD1 LEU 38 3HD1 LEU 38 109.458 -4.472 -0.351
258 1HD2 LEU 38 1HD2 LEU 38 106.516 -2.421 -2.005
259 2HD2 LEU 38 2HD2 LEU 38 107.535 -1.410 -0.982
260 3HD2 LEU 38 3HD2 LEU 38 106.890 -2.927 -0.358
261 H GLU 39 H GLU 39 112.128 -0.169 -2.465
262 HA GLU 39 HA GLU 39 112.230 1.311 -0.004
263 1HB GLU 39 1HB GLU 39 114.560 1.759 -0.583
264 2HB GLU 39 2HB GLU 39 114.186 0.047 -0.708
265 1HG GLU 39 1HG GLU 39 115.493 0.501 -2.565
266 2HG GLU 39 2HG GLU 39 113.846 0.474 -3.191
267 H ARG 40 H ARG 40 110.621 2.071 -2.586
268 HA ARG 40 HA ARG 40 111.493 4.883 -2.615
269 1HB ARG 40 1HB ARG 40 111.367 3.168 -4.751
270 2HB ARG 40 2HB ARG 40 109.805 3.968 -4.833
271 1HG ARG 40 1HG ARG 40 112.341 5.540 -4.570
272 2HG ARG 40 2HG ARG 40 111.761 4.980 -6.140
273 1HD ARG 40 1HD ARG 40 110.824 7.084 -6.016
274 2HD ARG 40 2HD ARG 40 109.519 6.071 -5.398
275 HE ARG 40 HE ARG 40 109.751 7.077 -3.356
276 1HH1 ARG 40 1HH1 ARG 40 112.574 7.778 -5.284
277 2HH1 ARG 40 2HH1 ARG 40 113.222 8.912 -4.148
278 1HH2 ARG 40 1HH2 ARG 40 110.603 8.568 -1.860
279 2HH2 ARG 40 2HH2 ARG 40 112.105 9.361 -2.204
280 H HIS 41 H HIS 41 109.267 2.779 -1.487
281 HA HIS 41 HA HIS 41 107.011 4.632 -1.682
282 1HB HIS 41 1HB HIS 41 107.194 1.687 -1.043
283 2HB HIS 41 2HB HIS 41 105.719 2.621 -0.872
284 HD1 HIS 41 HD1 HIS 41 104.899 3.820 -3.193
285 HD2 HIS 41 HD2 HIS 41 107.562 0.646 -3.522
286 HE1 HIS 41 HE1 HIS 41 104.739 3.053 -5.581
287 HE2 HIS 41 HE2 HIS 41 106.302 1.084 -5.738
288 H LEU 42 H LEU 42 109.517 3.984 0.341
289 HA LEU 42 HA LEU 42 108.119 4.014 2.846
290 1HB LEU 42 1HB LEU 42 111.001 4.116 2.001
291 2HB LEU 42 2HB LEU 42 110.520 4.311 3.681
292 HG LEU 42 HG LEU 42 109.299 1.960 2.523
293 1HD1 LEU 42 1HD1 LEU 42 111.998 2.449 1.712
294 2HD1 LEU 42 2HD1 LEU 42 110.945 1.083 1.344
295 3HD1 LEU 42 3HD1 LEU 42 111.937 1.059 2.805
296 1HD2 LEU 42 1HD2 LEU 42 110.531 2.887 4.939
297 2HD2 LEU 42 2HD2 LEU 42 111.086 1.268 4.527
298 3HD2 LEU 42 3HD2 LEU 42 109.361 1.593 4.695
299 H SER 43 H SER 43 107.888 5.716 4.205
300 HA SER 43 HA SER 43 107.907 8.333 3.109
301 1HB SER 43 1HB SER 43 106.497 7.255 5.085
302 2HB SER 43 2HB SER 43 107.804 7.922 6.068
303 HG SER 43 HG SER 43 105.797 9.208 4.670
304 H ALA 44 H ALA 44 109.084 10.185 4.006
305 HA ALA 44 HA ALA 44 111.810 9.962 3.850
306 1HB ALA 44 1HB ALA 44 110.112 12.042 4.170
307 2HB ALA 44 2HB ALA 44 111.866 12.176 4.279
308 3HB ALA 44 3HB ALA 44 110.900 12.024 5.747
309 H GLU 45 H GLU 45 109.867 9.958 6.822
310 HA GLU 45 HA GLU 45 111.997 9.647 8.627
311 1HB GLU 45 1HB GLU 45 110.055 8.371 9.958
312 2HB GLU 45 2HB GLU 45 110.117 10.120 9.825
313 1HG GLU 45 1HG GLU 45 108.656 8.703 7.693
314 2HG GLU 45 2HG GLU 45 107.936 8.664 9.301
315 H ASP 46 H ASP 46 109.793 7.219 7.281
316 HA ASP 46 HA ASP 46 110.983 4.966 8.367
317 1HB ASP 46 1HB ASP 46 109.605 5.173 5.678
318 2HB ASP 46 2HB ASP 46 109.852 3.695 6.610
319 H PHE 47 H PHE 47 111.529 6.302 5.068
320 HA PHE 47 HA PHE 47 113.455 4.540 4.231
321 1HB PHE 47 1HB PHE 47 112.392 6.523 2.975
322 2HB PHE 47 2HB PHE 47 113.707 7.483 3.661
323 HD1 PHE 47 HD1 PHE 47 113.034 4.419 1.700
324 HD2 PHE 47 HD2 PHE 47 115.767 7.543 2.612
325 HE1 PHE 47 HE1 PHE 47 114.547 3.619 -0.089
326 HE2 PHE 47 HE2 PHE 47 117.282 6.755 0.837
327 HZ PHE 47 HZ PHE 47 116.667 4.796 -0.520
328 H SER 48 H SER 48 114.091 7.665 5.833
329 HA SER 48 HA SER 48 116.857 7.169 6.165
330 1HB SER 48 1HB SER 48 115.484 9.411 6.270
331 2HB SER 48 2HB SER 48 115.372 9.024 7.988
332 HG SER 48 HG SER 48 117.251 10.330 7.165
333 H ARG 49 H ARG 49 114.169 5.881 7.722
334 HA ARG 49 HA ARG 49 115.464 5.471 10.287
335 1HB ARG 49 1HB ARG 49 113.108 5.972 10.336
336 2HB ARG 49 2HB ARG 49 112.757 4.674 9.206
337 1HG ARG 49 1HG ARG 49 114.087 3.509 11.397
338 2HG ARG 49 2HG ARG 49 112.869 4.604 12.050
339 1HD ARG 49 1HD ARG 49 111.556 3.315 9.986
340 2HD ARG 49 2HD ARG 49 112.549 2.046 10.710
341 HE ARG 49 HE ARG 49 111.267 3.441 12.767
342 1HH1 ARG 49 1HH1 ARG 49 110.464 1.323 10.111
343 2HH1 ARG 49 2HH1 ARG 49 109.057 0.679 10.887
344 1HH2 ARG 49 1HH2 ARG 49 109.417 2.595 13.789
345 2HH2 ARG 49 2HH2 ARG 49 108.462 1.401 12.975
346 H VAL 50 H VAL 50 114.464 3.596 7.456
347 HA VAL 50 HA VAL 50 115.508 1.139 8.611
348 HB VAL 50 HB VAL 50 114.539 1.423 5.779
349 1HG1 VAL 50 1HG1 VAL 50 115.703 -0.655 6.683
350 2HG1 VAL 50 2HG1 VAL 50 114.151 -0.882 5.872
351 3HG1 VAL 50 3HG1 VAL 50 114.241 -0.915 7.633
352 1HG2 VAL 50 1HG2 VAL 50 112.695 0.656 8.006
353 2HG2 VAL 50 2HG2 VAL 50 112.312 1.175 6.364
354 3HG2 VAL 50 3HG2 VAL 50 112.896 2.347 7.547
355 H PHE 51 H PHE 51 116.296 3.406 6.015
356 HA PHE 51 HA PHE 51 118.696 1.852 5.383
357 1HB PHE 51 1HB PHE 51 117.440 4.204 3.960
358 2HB PHE 51 2HB PHE 51 118.885 3.350 3.421
359 HD1 PHE 51 HD1 PHE 51 115.649 3.753 2.651
360 HD2 PHE 51 HD2 PHE 51 118.343 0.600 3.552
361 HE1 PHE 51 HE1 PHE 51 114.253 2.198 1.336
362 HE2 PHE 51 HE2 PHE 51 116.961 -0.960 2.243
363 HZ PHE 51 HZ PHE 51 114.917 -0.158 1.135
364 H ALA 52 H ALA 52 117.723 5.062 6.519
365 HA ALA 52 HA ALA 52 118.901 6.590 7.776
366 1HB ALA 52 1HB ALA 52 121.399 4.975 7.459
367 2HB ALA 52 2HB ALA 52 120.146 4.509 8.611
368 3HB ALA 52 3HB ALA 52 120.951 6.071 8.765
369 H MET 53 H MET 53 118.888 6.216 4.748
370 HA MET 53 HA MET 53 120.839 8.329 4.148
371 1HB MET 53 1HB MET 53 120.906 6.940 1.849
372 2HB MET 53 2HB MET 53 122.079 6.740 3.146
373 1HG MET 53 1HG MET 53 121.325 4.697 3.710
374 2HG MET 53 2HG MET 53 119.644 5.101 3.352
375 1HE MET 53 1HE MET 53 118.913 5.668 0.918
376 2HE MET 53 2HE MET 53 119.559 4.862 -0.513
377 3HE MET 53 3HE MET 53 120.389 6.262 0.154
378 H SER 54 H SER 54 120.368 9.462 2.161
379 HA SER 54 HA SER 54 117.630 10.186 2.045
380 1HB SER 54 1HB SER 54 120.057 10.948 0.425
381 2HB SER 54 2HB SER 54 118.453 11.621 0.101
382 HG SER 54 HG SER 54 118.800 12.948 1.680
383 HA PRO 55 HA PRO 55 115.981 7.325 -0.934
384 1HB PRO 55 1HB PRO 55 114.420 9.286 -2.253
385 2HB PRO 55 2HB PRO 55 113.882 8.176 -0.991
386 1HG PRO 55 1HG PRO 55 114.656 11.024 -0.795
387 2HG PRO 55 2HG PRO 55 113.558 10.076 0.226
388 1HD PRO 55 1HD PRO 55 116.022 10.843 1.041
389 2HD PRO 55 2HD PRO 55 115.260 9.333 1.584
390 H GLU 56 H GLU 56 117.379 10.415 -1.734
391 HA GLU 56 HA GLU 56 117.760 9.791 -4.520
392 1HB GLU 56 1HB GLU 56 118.819 11.919 -4.687
393 2HB GLU 56 2HB GLU 56 117.462 12.125 -3.584
394 1HG GLU 56 1HG GLU 56 119.315 11.618 -1.773
395 2HG GLU 56 2HG GLU 56 120.378 12.219 -3.049
396 H GLU 57 H GLU 57 119.567 9.656 -1.522
397 HA GLU 57 HA GLU 57 122.140 9.278 -2.482
398 1HB GLU 57 1HB GLU 57 120.739 8.650 0.059
399 2HB GLU 57 2HB GLU 57 122.105 7.602 -0.307
400 1HG GLU 57 1HG GLU 57 123.374 9.807 -0.759
401 2HG GLU 57 2HG GLU 57 122.065 10.546 0.161
402 H PHE 58 H PHE 58 119.702 6.765 -1.747
403 HA PHE 58 HA PHE 58 120.970 4.451 -2.397
404 1HB PHE 58 1HB PHE 58 118.350 5.178 -2.026
405 2HB PHE 58 2HB PHE 58 118.335 4.696 -3.720
406 HD1 PHE 58 HD1 PHE 58 119.249 2.379 -4.290
407 HD2 PHE 58 HD2 PHE 58 118.223 3.581 -0.338
408 HE1 PHE 58 HE1 PHE 58 119.058 0.018 -3.619
409 HE2 PHE 58 HE2 PHE 58 118.044 1.225 0.341
410 HZ PHE 58 HZ PHE 58 118.468 -0.564 -1.302
411 H GLY 59 H GLY 59 119.108 6.243 -4.870
412 1HA GLY 59 1HA GLY 59 119.979 4.835 -7.082
413 2HA GLY 59 2HA GLY 59 119.462 6.513 -7.122
414 H LYS 60 H LYS 60 121.747 7.163 -5.221
415 HA LYS 60 HA LYS 60 123.784 7.362 -7.321
416 1HB LYS 60 1HB LYS 60 123.456 8.950 -4.770
417 2HB LYS 60 2HB LYS 60 124.714 9.208 -5.976
418 1HG LYS 60 1HG LYS 60 122.839 9.606 -7.636
419 2HG LYS 60 2HG LYS 60 121.760 9.676 -6.237
420 1HD LYS 60 1HD LYS 60 122.368 11.774 -5.813
421 2HD LYS 60 2HD LYS 60 124.073 11.320 -5.779
422 1HE LYS 60 1HE LYS 60 124.063 11.435 -8.280
423 2HE LYS 60 2HE LYS 60 122.431 12.095 -8.184
424 1HZ LYS 60 1HZ LYS 60 123.578 14.023 -8.195
425 2HZ LYS 60 2HZ LYS 60 124.980 13.345 -7.536
426 3HZ LYS 60 3HZ LYS 60 123.677 13.734 -6.531
427 H LEU 61 H LEU 61 123.160 5.293 -4.898
428 HA LEU 61 HA LEU 61 125.741 5.207 -3.654
429 1HB LEU 61 1HB LEU 61 123.364 3.341 -3.525
430 2HB LEU 61 2HB LEU 61 124.780 3.226 -2.506
431 HG LEU 61 HG LEU 61 122.680 5.344 -2.487
432 1HD1 LEU 61 1HD1 LEU 61 121.880 4.096 -0.860
433 2HD1 LEU 61 2HD1 LEU 61 123.332 4.452 0.073
434 3HD1 LEU 61 3HD1 LEU 61 123.266 3.013 -0.946
435 1HD2 LEU 61 1HD2 LEU 61 125.412 5.404 -1.236
436 2HD2 LEU 61 2HD2 LEU 61 124.078 6.429 -0.708
437 3HD2 LEU 61 3HD2 LEU 61 124.708 6.578 -2.347
438 H ALA 62 H ALA 62 125.577 2.191 -3.672
439 HA ALA 62 HA ALA 62 126.592 1.703 -6.387
440 1HB ALA 62 1HB ALA 62 127.784 0.419 -3.952
441 2HB ALA 62 2HB ALA 62 128.372 1.954 -4.585
442 3HB ALA 62 3HB ALA 62 128.442 0.502 -5.585
443 H LEU 63 H LEU 63 126.781 -0.719 -6.827
444 HA LEU 63 HA LEU 63 124.223 -1.887 -6.538
445 1HB LEU 63 1HB LEU 63 125.944 -2.237 -8.386
446 2HB LEU 63 2HB LEU 63 126.727 -3.367 -7.295
447 HG LEU 63 HG LEU 63 123.901 -3.951 -7.532
448 1HD1 LEU 63 1HD1 LEU 63 125.516 -3.781 -10.059
449 2HD1 LEU 63 2HD1 LEU 63 123.933 -3.082 -9.721
450 3HD1 LEU 63 3HD1 LEU 63 124.108 -4.828 -9.889
451 1HD2 LEU 63 1HD2 LEU 63 124.642 -6.092 -7.471
452 2HD2 LEU 63 2HD2 LEU 63 126.097 -5.305 -6.857
453 3HD2 LEU 63 3HD2 LEU 63 125.996 -5.772 -8.555
454 H TRP 64 H TRP 64 127.123 -2.114 -4.653
455 HA TRP 64 HA TRP 64 126.227 -4.467 -3.228
456 1HB TRP 64 1HB TRP 64 128.389 -4.051 -1.980
457 2HB TRP 64 2HB TRP 64 128.573 -4.349 -3.715
458 HD1 TRP 64 HD1 TRP 64 129.608 -2.405 -5.147
459 HE1 TRP 64 HE1 TRP 64 130.524 -0.075 -4.572
460 HE3 TRP 64 HE3 TRP 64 127.893 -2.103 -0.469
461 HZ2 TRP 64 HZ2 TRP 64 130.512 1.671 -2.299
462 HZ3 TRP 64 HZ3 TRP 64 128.382 -0.070 0.880
463 HH2 TRP 64 HH2 TRP 64 129.649 1.770 -0.032
464 H LYS 65 H LYS 65 126.516 -1.025 -2.949
465 HA LYS 65 HA LYS 65 125.840 -0.888 -0.166
466 1HB LYS 65 1HB LYS 65 126.870 0.904 -1.964
467 2HB LYS 65 2HB LYS 65 125.206 1.464 -1.820
468 1HG LYS 65 1HG LYS 65 126.275 0.899 0.782
469 2HG LYS 65 2HG LYS 65 127.354 1.987 -0.095
470 1HD LYS 65 1HD LYS 65 125.344 3.395 -0.623
471 2HD LYS 65 2HD LYS 65 124.424 2.377 0.492
472 1HE LYS 65 1HE LYS 65 125.276 4.497 1.497
473 2HE LYS 65 2HE LYS 65 125.804 3.029 2.332
474 1HZ LYS 65 1HZ LYS 65 127.939 3.391 1.790
475 2HZ LYS 65 2HZ LYS 65 127.447 4.998 1.597
476 3HZ LYS 65 3HZ LYS 65 127.579 3.987 0.247
477 H ARG 66 H ARG 66 124.046 -0.098 -3.153
478 HA ARG 66 HA ARG 66 121.557 0.402 -2.069
479 1HB ARG 66 1HB ARG 66 122.229 -0.986 -4.660
480 2HB ARG 66 2HB ARG 66 120.639 -0.368 -4.252
481 1HG ARG 66 1HG ARG 66 121.547 1.886 -4.098
482 2HG ARG 66 2HG ARG 66 123.146 1.263 -4.507
483 1HD ARG 66 1HD ARG 66 121.076 0.461 -6.401
484 2HD ARG 66 2HD ARG 66 121.275 2.215 -6.289
485 HE ARG 66 HE ARG 66 123.814 1.332 -6.531
486 1HH1 ARG 66 1HH1 ARG 66 120.910 0.730 -8.368
487 2HH1 ARG 66 2HH1 ARG 66 121.754 0.475 -9.859
488 1HH2 ARG 66 1HH2 ARG 66 124.928 0.997 -8.489
489 2HH2 ARG 66 2HH2 ARG 66 124.036 0.626 -9.927
490 H ASN 67 H ASN 67 123.018 -2.649 -2.986
491 HA ASN 67 HA ASN 67 120.840 -4.337 -2.460
492 1HB ASN 67 1HB ASN 67 123.742 -4.646 -2.829
493 2HB ASN 67 2HB ASN 67 123.007 -5.898 -1.828
494 1HD2 ASN 67 1HD2 ASN 67 122.682 -4.231 -4.927
495 2HD2 ASN 67 2HD2 ASN 67 122.026 -5.579 -5.783
496 H GLU 68 H GLU 68 123.704 -3.933 -0.386
497 HA GLU 68 HA GLU 68 122.936 -5.193 1.866
498 1HB GLU 68 1HB GLU 68 125.122 -4.137 1.585
499 2HB GLU 68 2HB GLU 68 124.386 -2.548 1.744
500 1HG GLU 68 1HG GLU 68 125.334 -2.986 3.830
501 2HG GLU 68 2HG GLU 68 123.613 -3.303 4.042
502 H LEU 69 H LEU 69 121.905 -1.937 0.926
503 HA LEU 69 HA LEU 69 120.601 -1.314 3.348
504 1HB LEU 69 1HB LEU 69 119.785 -0.307 0.638
505 2HB LEU 69 2HB LEU 69 119.583 0.483 2.188
506 HG LEU 69 HG LEU 69 122.331 -0.132 1.385
507 1HD1 LEU 69 1HD1 LEU 69 120.677 1.061 -0.468
508 2HD1 LEU 69 2HD1 LEU 69 122.436 1.111 -0.443
509 3HD1 LEU 69 3HD1 LEU 69 121.507 2.404 0.299
510 1HD2 LEU 69 1HD2 LEU 69 122.307 0.988 3.378
511 2HD2 LEU 69 2HD2 LEU 69 120.874 1.925 2.953
512 3HD2 LEU 69 3HD2 LEU 69 122.439 2.344 2.259
513 H LYS 70 H LYS 70 119.183 -2.217 0.238
514 HA LYS 70 HA LYS 70 116.587 -2.784 1.221
515 1HB LYS 70 1HB LYS 70 118.123 -3.420 -1.255
516 2HB LYS 70 2HB LYS 70 116.664 -4.343 -0.934
517 1HG LYS 70 1HG LYS 70 115.314 -2.391 -0.960
518 2HG LYS 70 2HG LYS 70 116.733 -1.339 -0.958
519 1HD LYS 70 1HD LYS 70 116.483 -1.278 -3.181
520 2HD LYS 70 2HD LYS 70 117.142 -2.915 -3.175
521 1HE LYS 70 1HE LYS 70 114.781 -3.741 -2.886
522 2HE LYS 70 2HE LYS 70 114.247 -2.088 -3.194
523 1HZ LYS 70 1HZ LYS 70 115.241 -2.166 -5.359
524 2HZ LYS 70 2HZ LYS 70 114.224 -3.507 -5.187
525 3HZ LYS 70 3HZ LYS 70 115.900 -3.696 -5.064
526 H LYS 71 H LYS 71 119.558 -4.479 1.383
527 HA LYS 71 HA LYS 71 118.411 -7.085 1.850
528 1HB LYS 71 1HB LYS 71 121.223 -5.974 1.910
529 2HB LYS 71 2HB LYS 71 120.855 -7.640 2.357
530 1HG LYS 71 1HG LYS 71 119.678 -6.907 -0.180
531 2HG LYS 71 2HG LYS 71 121.424 -6.678 -0.169
532 1HD LYS 71 1HD LYS 71 120.672 -8.951 -0.918
533 2HD LYS 71 2HD LYS 71 121.803 -8.954 0.436
534 1HE LYS 71 1HE LYS 71 118.952 -8.879 1.168
535 2HE LYS 71 2HE LYS 71 119.488 -10.358 0.374
536 1HZ LYS 71 1HZ LYS 71 121.439 -9.961 2.173
537 2HZ LYS 71 2HZ LYS 71 120.089 -10.946 2.435
538 3HZ LYS 71 3HZ LYS 71 120.101 -9.357 3.013
539 H LYS 72 H LYS 72 119.598 -4.392 3.724
540 HA LYS 72 HA LYS 72 119.439 -5.917 6.200
541 1HB LYS 72 1HB LYS 72 121.419 -4.570 6.016
542 2HB LYS 72 2HB LYS 72 120.477 -3.151 5.580
543 1HG LYS 72 1HG LYS 72 119.773 -4.330 8.170
544 2HG LYS 72 2HG LYS 72 121.419 -3.690 8.066
545 1HD LYS 72 1HD LYS 72 120.709 -1.558 7.977
546 2HD LYS 72 2HD LYS 72 119.361 -1.948 6.907
547 1HE LYS 72 1HE LYS 72 118.287 -1.272 8.845
548 2HE LYS 72 2HE LYS 72 118.316 -3.027 9.014
549 1HZ LYS 72 1HZ LYS 72 119.136 -1.337 10.905
550 2HZ LYS 72 2HZ LYS 72 120.604 -1.630 10.120
551 3HZ LYS 72 3HZ LYS 72 119.713 -2.920 10.752
552 H ALA 73 H ALA 73 117.755 -3.643 4.302
553 HA ALA 73 HA ALA 73 116.077 -2.611 6.399
554 1HB ALA 73 1HB ALA 73 116.362 -2.241 3.471
555 2HB ALA 73 2HB ALA 73 116.311 -1.038 4.760
556 3HB ALA 73 3HB ALA 73 114.821 -1.810 4.213
557 H GLU 74 H GLU 74 116.213 -5.584 5.099
558 HA GLU 74 HA GLU 74 114.773 -7.344 5.096
559 1HB GLU 74 1HB GLU 74 112.716 -5.396 6.151
560 2HB GLU 74 2HB GLU 74 112.590 -7.144 6.170
561 1HG GLU 74 1HG GLU 74 114.903 -6.848 7.493
562 2HG GLU 74 2HG GLU 74 114.109 -5.335 7.926
563 H LEU 75 H LEU 75 114.806 -4.967 3.010
564 HA LEU 75 HA LEU 75 112.700 -6.164 1.394
565 1HB LEU 75 1HB LEU 75 112.679 -3.553 0.525
566 2HB LEU 75 2HB LEU 75 111.441 -4.347 1.489
567 HG LEU 75 HG LEU 75 113.202 -3.492 3.388
568 1HD1 LEU 75 1HD1 LEU 75 113.532 -1.058 2.803
569 2HD1 LEU 75 2HD1 LEU 75 113.210 -1.518 1.127
570 3HD1 LEU 75 3HD1 LEU 75 114.593 -2.205 1.980
571 1HD2 LEU 75 1HD2 LEU 75 110.990 -3.143 3.844
572 2HD2 LEU 75 2HD2 LEU 75 110.655 -2.469 2.250
573 3HD2 LEU 75 3HD2 LEU 75 111.488 -1.495 3.463
574 H PHE 76 H PHE 76 114.699 -7.281 0.647
575 HA PHE 76 HA PHE 76 115.870 -5.752 -1.580
576 1HB PHE 76 1HB PHE 76 117.851 -6.139 -0.567
577 2HB PHE 76 2HB PHE 76 117.177 -7.389 0.481
578 HD1 PHE 76 HD1 PHE 76 117.004 -9.720 -0.358
579 HD2 PHE 76 HD2 PHE 76 119.030 -6.681 -2.542
580 HE1 PHE 76 HE1 PHE 76 118.140 -11.444 -1.696
581 HE2 PHE 76 HE2 PHE 76 120.169 -8.400 -3.884
582 HZ PHE 76 HZ PHE 76 119.725 -10.785 -3.462
Start of MODEL 13
1 HT1 PRO 9 HT1 PRO 9 105.086 13.525 -11.061
2 HT2 PRO 9 HT2 PRO 9 106.209 12.387 -10.668
3 HA PRO 9 HA PRO 9 103.450 12.350 -10.550
4 1HB PRO 9 1HB PRO 9 104.071 9.646 -11.090
5 2HB PRO 9 2HB PRO 9 103.023 10.714 -12.031
6 1HG PRO 9 1HG PRO 9 105.889 10.040 -12.434
7 2HG PRO 9 2HG PRO 9 104.639 10.411 -13.635
8 1HD PRO 9 1HD PRO 9 106.525 12.199 -13.047
9 2HD PRO 9 2HD PRO 9 104.851 12.715 -13.325
10 H GLY 10 H GLY 10 103.201 12.114 -8.425
11 1HA GLY 10 1HA GLY 10 105.360 10.948 -6.845
12 2HA GLY 10 2HA GLY 10 103.978 11.834 -6.221
13 H LEU 11 H LEU 11 104.981 9.440 -5.176
14 HA LEU 11 HA LEU 11 102.791 7.580 -5.798
15 1HB LEU 11 1HB LEU 11 104.312 5.807 -4.948
16 2HB LEU 11 2HB LEU 11 104.822 6.559 -6.445
17 HG LEU 11 HG LEU 11 106.099 8.037 -4.451
18 1HD1 LEU 11 1HD1 LEU 11 106.828 5.234 -3.847
19 2HD1 LEU 11 2HD1 LEU 11 105.354 5.862 -3.108
20 3HD1 LEU 11 3HD1 LEU 11 106.895 6.672 -2.828
21 1HD2 LEU 11 1HD2 LEU 11 107.452 5.754 -5.809
22 2HD2 LEU 11 2HD2 LEU 11 108.013 7.408 -5.555
23 3HD2 LEU 11 3HD2 LEU 11 106.789 7.070 -6.779
24 H GLN 12 H GLN 12 102.167 6.168 -3.957
25 HA GLN 12 HA GLN 12 101.649 7.792 -1.646
26 1HB GLN 12 1HB GLN 12 100.758 5.332 -0.896
27 2HB GLN 12 2HB GLN 12 99.810 6.496 -1.805
28 1HG GLN 12 1HG GLN 12 99.664 4.266 -2.763
29 2HG GLN 12 2HG GLN 12 100.414 5.399 -3.884
30 1HE2 GLN 12 1HE2 GLN 12 101.415 3.763 -5.036
31 2HE2 GLN 12 2HE2 GLN 12 102.764 2.882 -4.415
32 H ILE 13 H ILE 13 102.316 7.449 0.473
33 HA ILE 13 HA ILE 13 104.698 5.747 0.756
34 HB ILE 13 HB ILE 13 104.144 8.203 2.400
35 1HG1 ILE 13 1HG1 ILE 13 104.337 8.673 -0.102
36 2HG1 ILE 13 2HG1 ILE 13 105.480 9.513 0.945
37 1HG2 ILE 13 1HG2 ILE 13 106.604 6.545 1.884
38 2HG2 ILE 13 2HG2 ILE 13 105.696 6.671 3.393
39 3HG2 ILE 13 3HG2 ILE 13 106.592 8.064 2.783
40 1HD1 ILE 13 1HD1 ILE 13 106.030 7.086 -0.742
41 2HD1 ILE 13 2HD1 ILE 13 107.176 7.810 0.387
42 3HD1 ILE 13 3HD1 ILE 13 106.616 8.727 -1.013
43 H TYR 14 H TYR 14 104.243 4.005 1.931
44 HA TYR 14 HA TYR 14 102.379 4.274 4.200
45 1HB TYR 14 1HB TYR 14 103.050 1.746 2.680
46 2HB TYR 14 2HB TYR 14 101.803 1.945 3.908
47 HD1 TYR 14 HD1 TYR 14 100.004 3.804 3.348
48 HD2 TYR 14 HD2 TYR 14 102.425 1.829 0.460
49 HE1 TYR 14 HE1 TYR 14 98.362 4.356 1.603
50 HE2 TYR 14 HE2 TYR 14 100.790 2.375 -1.293
51 HH TYR 14 HH TYR 14 98.006 2.940 -1.101
52 HA PRO 15 HA PRO 15 105.259 3.038 7.305
53 1HB PRO 15 1HB PRO 15 103.853 0.405 7.518
54 2HB PRO 15 2HB PRO 15 104.323 1.537 8.797
55 1HG PRO 15 1HG PRO 15 101.796 1.402 7.992
56 2HG PRO 15 2HG PRO 15 102.543 2.969 8.363
57 1HD PRO 15 1HD PRO 15 101.902 1.749 5.720
58 2HD PRO 15 2HD PRO 15 101.869 3.455 6.214
59 H TYR 16 H TYR 16 106.887 1.300 7.888
60 HA TYR 16 HA TYR 16 108.068 0.327 5.442
61 1HB TYR 16 1HB TYR 16 109.683 1.270 6.804
62 2HB TYR 16 2HB TYR 16 108.968 0.623 8.279
63 HD1 TYR 16 HD1 TYR 16 109.547 -1.529 9.089
64 HD2 TYR 16 HD2 TYR 16 111.073 -0.171 5.363
65 HE1 TYR 16 HE1 TYR 16 111.153 -3.397 9.075
66 HE2 TYR 16 HE2 TYR 16 112.683 -2.027 5.322
67 HH TYR 16 HH TYR 16 113.519 -3.773 7.941
68 H GLU 17 H GLU 17 107.426 -1.214 8.609
69 HA GLU 17 HA GLU 17 107.878 -3.830 7.984
70 1HB GLU 17 1HB GLU 17 106.363 -2.409 9.992
71 2HB GLU 17 2HB GLU 17 105.544 -3.901 9.553
72 1HG GLU 17 1HG GLU 17 107.521 -5.186 10.068
73 2HG GLU 17 2HG GLU 17 108.426 -3.707 10.401
74 H MET 18 H MET 18 104.822 -2.082 7.438
75 HA MET 18 HA MET 18 103.478 -4.299 6.286
76 1HB MET 18 1HB MET 18 102.933 -1.491 6.777
77 2HB MET 18 2HB MET 18 102.333 -1.988 5.202
78 1HG MET 18 1HG MET 18 101.423 -4.027 6.666
79 2HG MET 18 2HG MET 18 101.452 -2.772 7.907
80 1HE MET 18 1HE MET 18 98.722 -4.371 5.905
81 2HE MET 18 2HE MET 18 100.091 -4.208 4.806
82 3HE MET 18 3HE MET 18 98.590 -3.340 4.480
83 H LEU 19 H LEU 19 105.659 -1.886 5.087
84 HA LEU 19 HA LEU 19 105.170 -2.568 2.308
85 1HB LEU 19 1HB LEU 19 106.786 -0.505 3.738
86 2HB LEU 19 2HB LEU 19 107.119 -0.860 2.050
87 HG LEU 19 HG LEU 19 104.469 0.073 3.153
88 1HD1 LEU 19 1HD1 LEU 19 106.264 1.619 1.325
89 2HD1 LEU 19 2HD1 LEU 19 106.479 1.684 3.075
90 3HD1 LEU 19 3HD1 LEU 19 104.952 2.196 2.354
91 1HD2 LEU 19 1HD2 LEU 19 104.059 -1.282 1.262
92 2HD2 LEU 19 2HD2 LEU 19 105.421 -0.588 0.382
93 3HD2 LEU 19 3HD2 LEU 19 103.986 0.389 0.701
94 H VAL 20 H VAL 20 106.756 -4.184 4.595
95 HA VAL 20 HA VAL 20 109.361 -4.493 3.513
96 HB VAL 20 HB VAL 20 107.851 -6.535 5.148
97 1HG1 VAL 20 1HG1 VAL 20 110.362 -6.744 5.967
98 2HG1 VAL 20 2HG1 VAL 20 110.670 -6.161 4.331
99 3HG1 VAL 20 3HG1 VAL 20 109.753 -7.649 4.579
100 1HG2 VAL 20 1HG2 VAL 20 108.075 -4.079 6.015
101 2HG2 VAL 20 2HG2 VAL 20 109.728 -4.578 6.358
102 3HG2 VAL 20 3HG2 VAL 20 108.375 -5.448 7.082
103 H VAL 21 H VAL 21 110.192 -6.418 2.372
104 HA VAL 21 HA VAL 21 108.353 -7.146 0.256
105 HB VAL 21 HB VAL 21 111.263 -7.876 0.587
106 1HG1 VAL 21 1HG1 VAL 21 110.555 -9.378 -0.985
107 2HG1 VAL 21 2HG1 VAL 21 110.933 -8.001 -2.020
108 3HG1 VAL 21 3HG1 VAL 21 109.261 -8.329 -1.568
109 1HG2 VAL 21 1HG2 VAL 21 110.130 -5.721 -1.174
110 2HG2 VAL 21 2HG2 VAL 21 111.816 -6.021 -0.758
111 3HG2 VAL 21 3HG2 VAL 21 110.703 -5.410 0.465
112 H THR 22 H THR 22 110.701 -9.140 2.077
113 HA THR 22 HA THR 22 108.846 -11.395 1.773
114 HB THR 22 HB THR 22 111.818 -11.321 2.279
115 HG1 THR 22 HG1 THR 22 111.987 -11.914 0.220
116 1HG2 THR 22 1HG2 THR 22 110.830 -13.257 3.425
117 2HG2 THR 22 2HG2 THR 22 111.844 -13.721 2.058
118 3HG2 THR 22 3HG2 THR 22 110.088 -13.754 1.905
119 H ASN 23 H ASN 23 111.301 -10.438 4.126
120 HA ASN 23 HA ASN 23 110.814 -11.854 6.283
121 1HB ASN 23 1HB ASN 23 111.107 -8.849 6.375
122 2HB ASN 23 2HB ASN 23 111.475 -9.969 7.688
123 1HD2 ASN 23 1HD2 ASN 23 112.426 -8.860 4.511
124 2HD2 ASN 23 2HD2 ASN 23 114.036 -9.487 4.565
125 H LYS 24 H LYS 24 108.688 -9.116 5.414
126 HA LYS 24 HA LYS 24 106.832 -10.089 7.489
127 1HB LYS 24 1HB LYS 24 107.695 -7.379 6.739
128 2HB LYS 24 2HB LYS 24 105.966 -7.556 7.014
129 1HG LYS 24 1HG LYS 24 107.166 -6.854 9.028
130 2HG LYS 24 2HG LYS 24 106.374 -8.417 9.235
131 1HD LYS 24 1HD LYS 24 108.581 -8.505 10.205
132 2HD LYS 24 2HD LYS 24 108.535 -9.528 8.770
133 1HE LYS 24 1HE LYS 24 110.509 -8.419 8.424
134 2HE LYS 24 2HE LYS 24 109.394 -7.346 7.583
135 1HZ LYS 24 1HZ LYS 24 109.657 -5.730 9.109
136 2HZ LYS 24 2HZ LYS 24 111.132 -6.507 9.399
137 3HZ LYS 24 3HZ LYS 24 109.808 -6.804 10.408
138 H GLY 25 H GLY 25 106.987 -10.953 4.634
139 1HA GLY 25 1HA GLY 25 104.569 -11.614 3.921
140 2HA GLY 25 2HA GLY 25 104.439 -9.891 3.620
141 H ARG 26 H ARG 26 104.142 -9.966 1.461
142 HA ARG 26 HA ARG 26 106.463 -10.759 -0.130
143 1HB ARG 26 1HB ARG 26 103.634 -11.456 -0.909
144 2HB ARG 26 2HB ARG 26 105.109 -11.915 -1.733
145 1HG ARG 26 1HG ARG 26 104.651 -13.846 -0.660
146 2HG ARG 26 2HG ARG 26 105.648 -13.058 0.565
147 1HD ARG 26 1HD ARG 26 103.485 -12.165 1.543
148 2HD ARG 26 2HD ARG 26 102.648 -13.282 0.467
149 HE ARG 26 HE ARG 26 104.586 -14.694 1.930
150 1HH1 ARG 26 1HH1 ARG 26 101.534 -13.066 2.398
151 2HH1 ARG 26 2HH1 ARG 26 101.069 -14.056 3.740
152 1HH2 ARG 26 1HH2 ARG 26 103.976 -15.997 3.695
153 2HH2 ARG 26 2HH2 ARG 26 102.456 -15.720 4.478
154 H THR 27 H THR 27 104.314 -10.278 -2.408
155 HA THR 27 HA THR 27 104.942 -7.461 -2.701
156 HB THR 27 HB THR 27 105.005 -9.518 -4.413
157 HG1 THR 27 HG1 THR 27 104.567 -6.779 -4.945
158 1HG2 THR 27 1HG2 THR 27 102.566 -9.752 -4.450
159 2HG2 THR 27 2HG2 THR 27 103.258 -9.382 -6.031
160 3HG2 THR 27 3HG2 THR 27 102.452 -8.116 -5.104
161 H LYS 28 H LYS 28 102.684 -8.974 -1.128
162 HA LYS 28 HA LYS 28 100.270 -7.793 -2.122
163 1HB LYS 28 1HB LYS 28 100.956 -9.311 0.366
164 2HB LYS 28 2HB LYS 28 99.324 -8.750 0.011
165 1HG LYS 28 1HG LYS 28 99.771 -11.146 -0.566
166 2HG LYS 28 2HG LYS 28 99.161 -10.160 -1.895
167 1HD LYS 28 1HD LYS 28 101.315 -10.024 -2.898
168 2HD LYS 28 2HD LYS 28 102.095 -10.685 -1.464
169 1HE LYS 28 1HE LYS 28 101.953 -12.362 -3.224
170 2HE LYS 28 2HE LYS 28 100.980 -12.827 -1.829
171 1HZ LYS 28 1HZ LYS 28 100.087 -11.890 -4.478
172 2HZ LYS 28 2HZ LYS 28 99.079 -11.716 -3.130
173 3HZ LYS 28 3HZ LYS 28 99.593 -13.255 -3.607
174 H LEU 29 H LEU 29 102.346 -5.936 -1.406
175 HA LEU 29 HA LEU 29 101.957 -4.658 1.059
176 1HB LEU 29 1HB LEU 29 102.427 -2.814 -1.147
177 2HB LEU 29 2HB LEU 29 103.358 -3.047 0.313
178 HG LEU 29 HG LEU 29 103.657 -4.372 -2.365
179 1HD1 LEU 29 1HD1 LEU 29 105.287 -2.912 -2.498
180 2HD1 LEU 29 2HD1 LEU 29 106.110 -3.803 -1.224
181 3HD1 LEU 29 3HD1 LEU 29 105.089 -2.427 -0.815
182 1HD2 LEU 29 1HD2 LEU 29 103.914 -5.664 0.168
183 2HD2 LEU 29 2HD2 LEU 29 105.516 -5.457 -0.536
184 3HD2 LEU 29 3HD2 LEU 29 104.261 -6.301 -1.434
185 HA PRO 30 HA PRO 30 98.206 -2.293 0.962
186 1HB PRO 30 1HB PRO 30 99.830 0.176 0.478
187 2HB PRO 30 2HB PRO 30 98.545 -0.106 1.661
188 1HG PRO 30 1HG PRO 30 101.106 -0.108 2.403
189 2HG PRO 30 2HG PRO 30 99.943 -1.245 3.114
190 1HD PRO 30 1HD PRO 30 102.110 -1.733 1.136
191 2HD PRO 30 2HD PRO 30 101.425 -2.824 2.361
192 HA PRO 31 HA PRO 31 96.983 -1.586 -3.216
193 1HB PRO 31 1HB PRO 31 95.866 0.956 -3.221
194 2HB PRO 31 2HB PRO 31 95.028 -0.532 -2.767
195 1HG PRO 31 1HG PRO 31 96.301 1.537 -1.029
196 2HG PRO 31 2HG PRO 31 94.798 0.629 -0.780
197 1HD PRO 31 1HD PRO 31 97.050 -0.006 0.526
198 2HD PRO 31 2HD PRO 31 95.918 -1.258 -0.027
199 H GLY 32 H GLY 32 98.735 -1.459 -4.535
200 1HA GLY 32 1HA GLY 32 99.773 -0.176 -6.242
201 2HA GLY 32 2HA GLY 32 99.630 1.244 -5.229
202 H VAL 33 H VAL 33 101.076 -1.889 -4.281
203 HA VAL 33 HA VAL 33 103.708 -0.658 -4.434
204 HB VAL 33 HB VAL 33 103.547 -2.137 -2.011
205 1HG1 VAL 33 1HG1 VAL 33 104.385 0.265 -1.284
206 2HG1 VAL 33 2HG1 VAL 33 104.642 0.373 -3.023
207 3HG1 VAL 33 3HG1 VAL 33 105.412 -0.917 -2.098
208 1HG2 VAL 33 1HG2 VAL 33 102.052 -1.059 -0.728
209 2HG2 VAL 33 2HG2 VAL 33 101.222 -0.879 -2.272
210 3HG2 VAL 33 3HG2 VAL 33 102.197 0.445 -1.640
211 H ASP 34 H ASP 34 105.386 -1.879 -4.768
212 HA ASP 34 HA ASP 34 105.150 -4.780 -4.704
213 1HB ASP 34 1HB ASP 34 104.487 -3.969 -7.014
214 2HB ASP 34 2HB ASP 34 106.130 -3.352 -7.184
215 H ARG 35 H ARG 35 107.183 -5.819 -4.518
216 HA ARG 35 HA ARG 35 109.143 -4.415 -3.114
217 1HB ARG 35 1HB ARG 35 110.571 -6.429 -3.490
218 2HB ARG 35 2HB ARG 35 108.968 -6.793 -2.866
219 1HG ARG 35 1HG ARG 35 109.233 -6.829 -5.798
220 2HG ARG 35 2HG ARG 35 110.114 -8.088 -4.923
221 1HD ARG 35 1HD ARG 35 107.743 -8.195 -3.652
222 2HD ARG 35 2HD ARG 35 107.210 -7.669 -5.248
223 HE ARG 35 HE ARG 35 108.245 -10.251 -4.525
224 1HH1 ARG 35 1HH1 ARG 35 107.778 -7.990 -7.143
225 2HH1 ARG 35 2HH1 ARG 35 107.819 -9.211 -8.370
226 1HH2 ARG 35 1HH2 ARG 35 108.299 -11.858 -6.138
227 2HH2 ARG 35 2HH2 ARG 35 108.114 -11.406 -7.801
228 H MET 36 H MET 36 108.596 -4.527 -6.485
229 HA MET 36 HA MET 36 111.063 -4.374 -7.649
230 1HB MET 36 1HB MET 36 108.393 -3.625 -8.344
231 2HB MET 36 2HB MET 36 109.489 -2.356 -8.875
232 1HG MET 36 1HG MET 36 110.754 -4.701 -9.629
233 2HG MET 36 2HG MET 36 109.045 -5.001 -9.957
234 1HE MET 36 1HE MET 36 111.059 -1.650 -9.996
235 2HE MET 36 2HE MET 36 111.413 -1.448 -11.712
236 3HE MET 36 3HE MET 36 112.180 -2.749 -10.801
237 H ARG 37 H ARG 37 109.339 -1.746 -6.000
238 HA ARG 37 HA ARG 37 111.889 -0.329 -5.752
239 1HB ARG 37 1HB ARG 37 110.395 1.824 -6.145
240 2HB ARG 37 2HB ARG 37 111.177 0.989 -7.474
241 1HG ARG 37 1HG ARG 37 108.580 -0.145 -6.964
242 2HG ARG 37 2HG ARG 37 108.468 1.599 -7.199
243 1HD ARG 37 1HD ARG 37 110.240 0.685 -9.166
244 2HD ARG 37 2HD ARG 37 108.921 -0.484 -9.134
245 HE ARG 37 HE ARG 37 107.722 1.993 -9.132
246 1HH1 ARG 37 1HH1 ARG 37 109.901 0.249 -11.228
247 2HH1 ARG 37 2HH1 ARG 37 109.337 1.026 -12.669
248 1HH2 ARG 37 1HH2 ARG 37 106.978 3.014 -11.027
249 2HH2 ARG 37 2HH2 ARG 37 107.676 2.596 -12.555
250 H LEU 38 H LEU 38 110.285 -1.854 -3.875
251 HA LEU 38 HA LEU 38 108.663 -0.407 -2.220
252 1HB LEU 38 1HB LEU 38 110.269 -2.810 -2.044
253 2HB LEU 38 2HB LEU 38 110.155 -1.983 -0.495
254 HG LEU 38 HG LEU 38 107.796 -2.795 -2.200
255 1HD1 LEU 38 1HD1 LEU 38 109.283 -4.128 -0.003
256 2HD1 LEU 38 2HD1 LEU 38 108.431 -4.823 -1.380
257 3HD1 LEU 38 3HD1 LEU 38 107.525 -4.242 0.015
258 1HD2 LEU 38 1HD2 LEU 38 108.137 -1.238 0.302
259 2HD2 LEU 38 2HD2 LEU 38 106.739 -2.304 0.161
260 3HD2 LEU 38 3HD2 LEU 38 106.999 -1.023 -1.024
261 H GLU 39 H GLU 39 112.107 -0.116 -2.598
262 HA GLU 39 HA GLU 39 112.492 1.346 -0.160
263 1HB GLU 39 1HB GLU 39 114.740 1.486 -0.709
264 2HB GLU 39 2HB GLU 39 114.249 -0.036 -1.442
265 1HG GLU 39 1HG GLU 39 114.680 2.599 -2.824
266 2HG GLU 39 2HG GLU 39 115.657 1.140 -2.968
267 H ARG 40 H ARG 40 110.666 2.192 -2.590
268 HA ARG 40 HA ARG 40 111.584 4.990 -2.630
269 1HB ARG 40 1HB ARG 40 111.114 3.252 -4.768
270 2HB ARG 40 2HB ARG 40 109.709 4.307 -4.727
271 1HG ARG 40 1HG ARG 40 111.843 6.038 -4.414
272 2HG ARG 40 2HG ARG 40 112.422 4.852 -5.586
273 1HD ARG 40 1HD ARG 40 111.024 5.576 -7.188
274 2HD ARG 40 2HD ARG 40 109.683 5.776 -6.061
275 HE ARG 40 HE ARG 40 111.358 7.829 -5.456
276 1HH1 ARG 40 1HH1 ARG 40 109.841 6.723 -8.398
277 2HH1 ARG 40 2HH1 ARG 40 109.750 8.307 -9.093
278 1HH2 ARG 40 1HH2 ARG 40 111.239 9.911 -6.367
279 2HH2 ARG 40 2HH2 ARG 40 110.545 10.117 -7.941
280 H HIS 41 H HIS 41 109.196 2.771 -1.753
281 HA HIS 41 HA HIS 41 107.023 4.682 -1.645
282 1HB HIS 41 1HB HIS 41 107.272 1.755 -0.944
283 2HB HIS 41 2HB HIS 41 105.802 2.684 -0.716
284 HD1 HIS 41 HD1 HIS 41 104.840 3.804 -3.029
285 HD2 HIS 41 HD2 HIS 41 107.489 0.626 -3.395
286 HE1 HIS 41 HE1 HIS 41 104.546 2.949 -5.375
287 HE2 HIS 41 HE2 HIS 41 106.225 1.086 -5.603
288 H LEU 42 H LEU 42 109.649 3.989 0.244
289 HA LEU 42 HA LEU 42 108.378 4.153 2.818
290 1HB LEU 42 1HB LEU 42 111.260 4.166 1.934
291 2HB LEU 42 2HB LEU 42 110.750 4.216 3.618
292 HG LEU 42 HG LEU 42 109.566 2.014 2.089
293 1HD1 LEU 42 1HD1 LEU 42 111.357 0.981 1.308
294 2HD1 LEU 42 2HD1 LEU 42 112.263 1.261 2.798
295 3HD1 LEU 42 3HD1 LEU 42 112.231 2.497 1.532
296 1HD2 LEU 42 1HD2 LEU 42 111.178 1.995 4.613
297 2HD2 LEU 42 2HD2 LEU 42 109.973 0.822 4.077
298 3HD2 LEU 42 3HD2 LEU 42 109.475 2.444 4.555
299 H SER 43 H SER 43 108.369 5.886 4.175
300 HA SER 43 HA SER 43 108.539 8.477 2.965
301 1HB SER 43 1HB SER 43 107.599 9.317 4.965
302 2HB SER 43 2HB SER 43 106.874 7.719 4.766
303 HG SER 43 HG SER 43 107.784 7.123 6.557
304 H ALA 44 H ALA 44 109.742 10.280 4.015
305 HA ALA 44 HA ALA 44 112.470 9.880 3.943
306 1HB ALA 44 1HB ALA 44 110.960 12.030 5.427
307 2HB ALA 44 2HB ALA 44 111.493 12.088 3.747
308 3HB ALA 44 3HB ALA 44 112.683 12.076 5.048
309 H GLU 45 H GLU 45 110.268 9.369 6.570
310 HA GLU 45 HA GLU 45 112.334 9.194 8.582
311 1HB GLU 45 1HB GLU 45 109.817 7.878 9.260
312 2HB GLU 45 2HB GLU 45 110.652 9.182 10.081
313 1HG GLU 45 1HG GLU 45 108.756 9.421 7.764
314 2HG GLU 45 2HG GLU 45 108.470 9.914 9.431
315 H ASP 46 H ASP 46 110.100 6.932 7.018
316 HA ASP 46 HA ASP 46 111.118 4.572 8.073
317 1HB ASP 46 1HB ASP 46 109.899 4.982 5.334
318 2HB ASP 46 2HB ASP 46 110.043 3.443 6.184
319 H PHE 47 H PHE 47 111.942 6.184 4.998
320 HA PHE 47 HA PHE 47 113.866 4.359 4.140
321 1HB PHE 47 1HB PHE 47 112.760 6.406 2.950
322 2HB PHE 47 2HB PHE 47 114.142 7.293 3.596
323 HD1 PHE 47 HD1 PHE 47 113.365 4.176 1.716
324 HD2 PHE 47 HD2 PHE 47 116.046 7.418 2.342
325 HE1 PHE 47 HE1 PHE 47 114.750 3.404 -0.176
326 HE2 PHE 47 HE2 PHE 47 117.429 6.653 0.456
327 HZ PHE 47 HZ PHE 47 116.775 4.650 -0.809
328 H SER 48 H SER 48 114.393 7.498 5.748
329 HA SER 48 HA SER 48 117.159 7.120 6.130
330 1HB SER 48 1HB SER 48 116.241 9.346 6.170
331 2HB SER 48 2HB SER 48 115.190 8.942 7.527
332 HG SER 48 HG SER 48 116.869 9.883 8.500
333 H ARG 49 H ARG 49 114.519 5.685 7.709
334 HA ARG 49 HA ARG 49 115.955 5.298 10.215
335 1HB ARG 49 1HB ARG 49 113.569 5.813 10.338
336 2HB ARG 49 2HB ARG 49 113.198 4.398 9.362
337 1HG ARG 49 1HG ARG 49 112.743 3.713 11.532
338 2HG ARG 49 2HG ARG 49 114.353 3.060 11.221
339 1HD ARG 49 1HD ARG 49 115.251 5.180 12.302
340 2HD ARG 49 2HD ARG 49 113.597 5.472 12.852
341 HE ARG 49 HE ARG 49 114.084 2.953 13.698
342 1HH1 ARG 49 1HH1 ARG 49 115.834 5.953 14.046
343 2HH1 ARG 49 2HH1 ARG 49 116.524 5.518 15.574
344 1HH2 ARG 49 1HH2 ARG 49 114.990 2.381 15.708
345 2HH2 ARG 49 2HH2 ARG 49 116.045 3.490 16.516
346 H VAL 50 H VAL 50 114.771 3.427 7.459
347 HA VAL 50 HA VAL 50 115.826 0.953 8.545
348 HB VAL 50 HB VAL 50 114.745 1.377 5.763
349 1HG1 VAL 50 1HG1 VAL 50 116.052 -0.720 6.468
350 2HG1 VAL 50 2HG1 VAL 50 114.503 -0.929 5.650
351 3HG1 VAL 50 3HG1 VAL 50 114.611 -1.126 7.398
352 1HG2 VAL 50 1HG2 VAL 50 113.037 0.278 7.934
353 2HG2 VAL 50 2HG2 VAL 50 112.582 1.114 6.448
354 3HG2 VAL 50 3HG2 VAL 50 113.226 2.027 7.813
355 H PHE 51 H PHE 51 116.722 3.369 6.177
356 HA PHE 51 HA PHE 51 119.037 1.744 5.388
357 1HB PHE 51 1HB PHE 51 117.772 4.142 4.060
358 2HB PHE 51 2HB PHE 51 119.217 3.316 3.479
359 HD1 PHE 51 HD1 PHE 51 116.007 3.711 2.669
360 HD2 PHE 51 HD2 PHE 51 118.663 0.544 3.653
361 HE1 PHE 51 HE1 PHE 51 114.601 2.140 1.386
362 HE2 PHE 51 HE2 PHE 51 117.271 -1.028 2.369
363 HZ PHE 51 HZ PHE 51 115.244 -0.225 1.232
364 H ALA 52 H ALA 52 118.143 4.908 6.664
365 HA ALA 52 HA ALA 52 119.367 6.243 8.097
366 1HB ALA 52 1HB ALA 52 121.913 4.878 7.310
367 2HB ALA 52 2HB ALA 52 120.815 4.175 8.497
368 3HB ALA 52 3HB ALA 52 121.535 5.757 8.791
369 H MET 53 H MET 53 119.445 6.027 4.840
370 HA MET 53 HA MET 53 121.062 8.481 4.599
371 1HB MET 53 1HB MET 53 122.118 7.745 2.754
372 2HB MET 53 2HB MET 53 121.715 6.158 3.398
373 1HG MET 53 1HG MET 53 120.041 7.647 1.391
374 2HG MET 53 2HG MET 53 121.246 6.427 0.984
375 1HE MET 53 1HE MET 53 121.151 3.972 2.057
376 2HE MET 53 2HE MET 53 120.565 4.214 0.409
377 3HE MET 53 3HE MET 53 119.675 3.170 1.519
378 H SER 54 H SER 54 120.468 9.663 2.515
379 HA SER 54 HA SER 54 117.700 10.400 2.738
380 1HB SER 54 1HB SER 54 120.068 11.376 1.159
381 2HB SER 54 2HB SER 54 118.442 11.968 0.794
382 HG SER 54 HG SER 54 118.323 12.904 2.758
383 HA PRO 55 HA PRO 55 115.922 7.945 -0.498
384 1HB PRO 55 1HB PRO 55 114.664 10.471 -1.444
385 2HB PRO 55 2HB PRO 55 113.908 8.927 -1.035
386 1HG PRO 55 1HG PRO 55 113.721 11.027 0.604
387 2HG PRO 55 2HG PRO 55 113.901 9.378 1.236
388 1HD PRO 55 1HD PRO 55 115.917 11.571 1.052
389 2HD PRO 55 2HD PRO 55 115.718 10.319 2.297
390 H GLU 56 H GLU 56 117.582 10.928 -1.095
391 HA GLU 56 HA GLU 56 117.974 10.336 -3.917
392 1HB GLU 56 1HB GLU 56 117.646 12.607 -3.723
393 2HB GLU 56 2HB GLU 56 118.407 12.692 -2.140
394 1HG GLU 56 1HG GLU 56 120.555 12.763 -3.044
395 2HG GLU 56 2HG GLU 56 120.013 12.166 -4.616
396 H GLU 57 H GLU 57 119.442 9.594 -0.969
397 HA GLU 57 HA GLU 57 122.156 9.617 -1.908
398 1HB GLU 57 1HB GLU 57 120.780 9.072 0.648
399 2HB GLU 57 2HB GLU 57 122.170 8.041 0.343
400 1HG GLU 57 1HG GLU 57 123.513 10.094 -0.077
401 2HG GLU 57 2HG GLU 57 122.118 11.041 0.437
402 H PHE 58 H PHE 58 119.683 7.141 -1.197
403 HA PHE 58 HA PHE 58 121.027 4.807 -1.729
404 1HB PHE 58 1HB PHE 58 118.456 5.422 -1.278
405 2HB PHE 58 2HB PHE 58 118.351 5.144 -3.015
406 HD1 PHE 58 HD1 PHE 58 118.283 3.664 0.181
407 HD2 PHE 58 HD2 PHE 58 119.310 2.893 -3.871
408 HE1 PHE 58 HE1 PHE 58 118.099 1.247 0.602
409 HE2 PHE 58 HE2 PHE 58 119.119 0.474 -3.461
410 HZ PHE 58 HZ PHE 58 118.517 -0.355 -1.220
411 H GLY 59 H GLY 59 119.319 6.766 -4.191
412 1HA GLY 59 1HA GLY 59 120.156 5.281 -6.414
413 2HA GLY 59 2HA GLY 59 119.653 6.965 -6.454
414 H LYS 60 H LYS 60 121.828 7.662 -4.523
415 HA LYS 60 HA LYS 60 123.940 7.922 -6.521
416 1HB LYS 60 1HB LYS 60 123.129 9.424 -4.090
417 2HB LYS 60 2HB LYS 60 124.844 9.421 -4.492
418 1HG LYS 60 1HG LYS 60 123.900 11.351 -5.480
419 2HG LYS 60 2HG LYS 60 124.209 10.204 -6.788
420 1HD LYS 60 1HD LYS 60 121.591 9.716 -5.799
421 2HD LYS 60 2HD LYS 60 121.758 11.454 -6.053
422 1HE LYS 60 1HE LYS 60 122.899 10.527 -8.312
423 2HE LYS 60 2HE LYS 60 121.735 9.240 -8.002
424 1HZ LYS 60 1HZ LYS 60 120.866 12.048 -7.885
425 2HZ LYS 60 2HZ LYS 60 119.964 10.663 -8.246
426 3HZ LYS 60 3HZ LYS 60 121.041 11.292 -9.389
427 H LEU 61 H LEU 61 123.218 5.683 -4.268
428 HA LEU 61 HA LEU 61 125.775 5.422 -3.008
429 1HB LEU 61 1HB LEU 61 123.308 3.676 -3.055
430 2HB LEU 61 2HB LEU 61 124.722 3.337 -2.084
431 HG LEU 61 HG LEU 61 122.791 5.598 -1.772
432 1HD1 LEU 61 1HD1 LEU 61 122.168 3.505 -0.749
433 2HD1 LEU 61 2HD1 LEU 61 122.592 4.694 0.485
434 3HD1 LEU 61 3HD1 LEU 61 123.731 3.415 0.063
435 1HD2 LEU 61 1HD2 LEU 61 125.601 5.350 -0.817
436 2HD2 LEU 61 2HD2 LEU 61 124.399 6.107 0.227
437 3HD2 LEU 61 3HD2 LEU 61 124.724 6.777 -1.372
438 H ALA 62 H ALA 62 125.514 2.408 -3.317
439 HA ALA 62 HA ALA 62 126.571 2.171 -6.046
440 1HB ALA 62 1HB ALA 62 127.683 0.633 -3.721
441 2HB ALA 62 2HB ALA 62 128.332 2.191 -4.228
442 3HB ALA 62 3HB ALA 62 128.363 0.820 -5.336
443 H LEU 63 H LEU 63 126.703 -0.177 -6.751
444 HA LEU 63 HA LEU 63 124.114 -1.319 -6.599
445 1HB LEU 63 1HB LEU 63 125.823 -1.451 -8.494
446 2HB LEU 63 2HB LEU 63 126.579 -2.736 -7.570
447 HG LEU 63 HG LEU 63 123.748 -3.229 -7.849
448 1HD1 LEU 63 1HD1 LEU 63 123.687 -3.624 -10.248
449 2HD1 LEU 63 2HD1 LEU 63 125.304 -2.940 -10.414
450 3HD1 LEU 63 3HD1 LEU 63 123.963 -1.918 -9.898
451 1HD2 LEU 63 1HD2 LEU 63 125.938 -4.701 -7.442
452 2HD2 LEU 63 2HD2 LEU 63 125.782 -4.908 -9.187
453 3HD2 LEU 63 3HD2 LEU 63 124.451 -5.365 -8.122
454 H TRP 64 H TRP 64 127.056 -1.868 -4.822
455 HA TRP 64 HA TRP 64 126.144 -4.363 -3.697
456 1HB TRP 64 1HB TRP 64 128.279 -4.092 -2.367
457 2HB TRP 64 2HB TRP 64 128.499 -4.154 -4.122
458 HD1 TRP 64 HD1 TRP 64 129.568 -2.048 -5.249
459 HE1 TRP 64 HE1 TRP 64 130.429 0.203 -4.361
460 HE3 TRP 64 HE3 TRP 64 127.689 -2.339 -0.632
461 HZ2 TRP 64 HZ2 TRP 64 130.312 1.658 -1.895
462 HZ3 TRP 64 HZ3 TRP 64 128.100 -0.481 0.970
463 HH2 TRP 64 HH2 TRP 64 129.371 1.470 0.334
464 H LYS 65 H LYS 65 126.389 -0.984 -2.996
465 HA LYS 65 HA LYS 65 125.692 -1.147 -0.229
466 1HB LYS 65 1HB LYS 65 126.740 0.827 -1.682
467 2HB LYS 65 2HB LYS 65 125.044 1.287 -1.823
468 1HG LYS 65 1HG LYS 65 124.822 1.596 0.494
469 2HG LYS 65 2HG LYS 65 126.338 0.750 0.832
470 1HD LYS 65 1HD LYS 65 127.625 2.534 -0.083
471 2HD LYS 65 2HD LYS 65 126.182 3.323 -0.729
472 1HE LYS 65 1HE LYS 65 126.238 4.554 1.139
473 2HE LYS 65 2HE LYS 65 125.591 3.115 1.938
474 1HZ LYS 65 1HZ LYS 65 128.189 2.573 1.991
475 2HZ LYS 65 2HZ LYS 65 127.395 3.409 3.229
476 3HZ LYS 65 3HZ LYS 65 128.260 4.263 2.054
477 H ARG 66 H ARG 66 123.853 0.070 -3.037
478 HA ARG 66 HA ARG 66 121.354 0.309 -1.962
479 1HB ARG 66 1HB ARG 66 122.122 -0.769 -4.678
480 2HB ARG 66 2HB ARG 66 120.490 -0.291 -4.243
481 1HG ARG 66 1HG ARG 66 121.296 1.983 -3.802
482 2HG ARG 66 2HG ARG 66 122.912 1.481 -4.302
483 1HD ARG 66 1HD ARG 66 120.661 0.966 -6.170
484 2HD ARG 66 2HD ARG 66 121.202 2.639 -5.976
485 HE ARG 66 HE ARG 66 123.509 1.314 -6.405
486 1HH1 ARG 66 1HH1 ARG 66 120.462 1.351 -8.106
487 2HH1 ARG 66 2HH1 ARG 66 121.178 1.025 -9.649
488 1HH2 ARG 66 1HH2 ARG 66 124.451 0.885 -8.433
489 2HH2 ARG 66 2HH2 ARG 66 123.442 0.760 -9.834
490 H ASN 67 H ASN 67 122.886 -2.595 -3.204
491 HA ASN 67 HA ASN 67 120.733 -4.368 -2.849
492 1HB ASN 67 1HB ASN 67 123.637 -4.592 -3.296
493 2HB ASN 67 2HB ASN 67 122.922 -5.966 -2.450
494 1HD2 ASN 67 1HD2 ASN 67 122.609 -3.946 -5.326
495 2HD2 ASN 67 2HD2 ASN 67 121.928 -5.173 -6.334
496 H GLU 68 H GLU 68 123.642 -4.212 -0.802
497 HA GLU 68 HA GLU 68 122.832 -5.696 1.317
498 1HB GLU 68 1HB GLU 68 124.478 -3.165 1.393
499 2HB GLU 68 2HB GLU 68 124.361 -4.316 2.717
500 1HG GLU 68 1HG GLU 68 125.568 -5.935 1.592
501 2HG GLU 68 2HG GLU 68 125.242 -5.223 0.012
502 H LEU 69 H LEU 69 122.007 -2.311 0.705
503 HA LEU 69 HA LEU 69 120.771 -1.813 3.189
504 1HB LEU 69 1HB LEU 69 120.003 -0.577 0.556
505 2HB LEU 69 2HB LEU 69 119.767 0.091 2.158
506 HG LEU 69 HG LEU 69 122.508 -0.489 1.242
507 1HD1 LEU 69 1HD1 LEU 69 121.738 2.234 0.731
508 2HD1 LEU 69 2HD1 LEU 69 120.803 1.106 -0.247
509 3HD1 LEU 69 3HD1 LEU 69 122.566 1.086 -0.320
510 1HD2 LEU 69 1HD2 LEU 69 123.148 0.865 2.939
511 2HD2 LEU 69 2HD2 LEU 69 121.573 0.397 3.580
512 3HD2 LEU 69 3HD2 LEU 69 121.763 1.937 2.743
513 H LYS 70 H LYS 70 119.249 -2.366 0.048
514 HA LYS 70 HA LYS 70 116.651 -2.872 1.022
515 1HB LYS 70 1HB LYS 70 118.120 -3.399 -1.513
516 2HB LYS 70 2HB LYS 70 116.631 -4.291 -1.241
517 1HG LYS 70 1HG LYS 70 115.356 -2.293 -1.110
518 2HG LYS 70 2HG LYS 70 116.813 -1.296 -1.051
519 1HD LYS 70 1HD LYS 70 115.867 -1.180 -3.264
520 2HD LYS 70 2HD LYS 70 117.383 -2.082 -3.333
521 1HE LYS 70 1HE LYS 70 115.699 -3.183 -4.683
522 2HE LYS 70 2HE LYS 70 116.112 -4.186 -3.292
523 1HZ LYS 70 1HZ LYS 70 113.718 -4.099 -3.692
524 2HZ LYS 70 2HZ LYS 70 113.730 -2.421 -3.478
525 3HZ LYS 70 3HZ LYS 70 114.114 -3.440 -2.184
526 H LYS 71 H LYS 71 119.514 -4.758 1.000
527 HA LYS 71 HA LYS 71 118.179 -7.301 1.308
528 1HB LYS 71 1HB LYS 71 121.056 -6.399 1.252
529 2HB LYS 71 2HB LYS 71 120.617 -8.050 1.698
530 1HG LYS 71 1HG LYS 71 119.702 -8.480 -0.433
531 2HG LYS 71 2HG LYS 71 119.719 -6.767 -0.862
532 1HD LYS 71 1HD LYS 71 121.546 -7.743 -2.006
533 2HD LYS 71 2HD LYS 71 122.241 -6.878 -0.635
534 1HE LYS 71 1HE LYS 71 121.543 -9.781 -0.411
535 2HE LYS 71 2HE LYS 71 123.056 -9.280 -1.166
536 1HZ LYS 71 1HZ LYS 71 122.258 -9.192 1.623
537 2HZ LYS 71 2HZ LYS 71 123.120 -7.845 1.072
538 3HZ LYS 71 3HZ LYS 71 123.794 -9.390 0.941
539 H LYS 72 H LYS 72 119.611 -4.858 3.331
540 HA LYS 72 HA LYS 72 119.398 -6.556 5.687
541 1HB LYS 72 1HB LYS 72 120.657 -4.879 6.861
542 2HB LYS 72 2HB LYS 72 121.466 -5.194 5.333
543 1HG LYS 72 1HG LYS 72 121.339 -3.058 4.771
544 2HG LYS 72 2HG LYS 72 119.586 -3.063 4.992
545 1HD LYS 72 1HD LYS 72 121.346 -2.937 7.397
546 2HD LYS 72 2HD LYS 72 121.125 -1.481 6.423
547 1HE LYS 72 1HE LYS 72 118.815 -1.432 6.820
548 2HE LYS 72 2HE LYS 72 118.789 -3.103 7.380
549 1HZ LYS 72 1HZ LYS 72 118.624 -1.314 9.134
550 2HZ LYS 72 2HZ LYS 72 120.255 -0.981 8.831
551 3HZ LYS 72 3HZ LYS 72 119.794 -2.508 9.395
552 H ALA 73 H ALA 73 117.827 -4.078 3.981
553 HA ALA 73 HA ALA 73 116.263 -3.054 6.168
554 1HB ALA 73 1HB ALA 73 116.503 -2.544 3.253
555 2HB ALA 73 2HB ALA 73 116.578 -1.413 4.604
556 3HB ALA 73 3HB ALA 73 115.020 -2.045 4.067
557 H GLU 74 H GLU 74 116.188 -5.952 4.706
558 HA GLU 74 HA GLU 74 114.629 -7.610 4.617
559 1HB GLU 74 1HB GLU 74 112.655 -5.649 5.790
560 2HB GLU 74 2HB GLU 74 112.568 -7.402 5.831
561 1HG GLU 74 1HG GLU 74 114.843 -5.950 7.117
562 2HG GLU 74 2HG GLU 74 113.298 -6.140 7.945
563 H LEU 75 H LEU 75 114.802 -5.134 2.683
564 HA LEU 75 HA LEU 75 112.558 -6.033 1.062
565 1HB LEU 75 1HB LEU 75 112.732 -3.367 0.383
566 2HB LEU 75 2HB LEU 75 111.463 -4.121 1.337
567 HG LEU 75 HG LEU 75 113.513 -3.529 3.136
568 1HD1 LEU 75 1HD1 LEU 75 113.205 -1.414 1.046
569 2HD1 LEU 75 2HD1 LEU 75 114.675 -2.023 1.809
570 3HD1 LEU 75 3HD1 LEU 75 113.574 -0.987 2.721
571 1HD2 LEU 75 1HD2 LEU 75 111.759 -1.586 3.614
572 2HD2 LEU 75 2HD2 LEU 75 111.430 -3.275 4.001
573 3HD2 LEU 75 3HD2 LEU 75 110.784 -2.567 2.519
574 H PHE 76 H PHE 76 114.466 -7.249 0.190
575 HA PHE 76 HA PHE 76 115.618 -5.681 -2.020
576 1HB PHE 76 1HB PHE 76 117.601 -6.042 -0.957
577 2HB PHE 76 2HB PHE 76 116.990 -7.437 -0.066
578 HD1 PHE 76 HD1 PHE 76 117.192 -9.659 -0.967
579 HD2 PHE 76 HD2 PHE 76 118.525 -6.282 -3.187
580 HE1 PHE 76 HE1 PHE 76 118.409 -11.151 -2.499
581 HE2 PHE 76 HE2 PHE 76 119.744 -7.768 -4.722
582 HZ PHE 76 HZ PHE 76 119.687 -10.205 -4.380
Start of MODEL 14
1 HT1 PRO 9 HT1 PRO 9 101.702 13.778 -9.464
2 HT2 PRO 9 HT2 PRO 9 103.028 14.372 -8.692
3 HA PRO 9 HA PRO 9 102.723 12.246 -10.440
4 1HB PRO 9 1HB PRO 9 105.375 13.126 -10.929
5 2HB PRO 9 2HB PRO 9 104.068 12.932 -12.104
6 1HG PRO 9 1HG PRO 9 104.975 15.368 -10.670
7 2HG PRO 9 2HG PRO 9 104.259 15.211 -12.284
8 1HD PRO 9 1HD PRO 9 102.833 16.194 -10.256
9 2HD PRO 9 2HD PRO 9 102.084 15.111 -11.445
10 H GLY 10 H GLY 10 102.936 10.825 -8.811
11 1HA GLY 10 1HA GLY 10 105.444 10.397 -7.575
12 2HA GLY 10 2HA GLY 10 104.362 11.187 -6.440
13 H LEU 11 H LEU 11 105.075 8.977 -5.479
14 HA LEU 11 HA LEU 11 103.013 7.005 -6.192
15 1HB LEU 11 1HB LEU 11 104.740 5.471 -4.890
16 2HB LEU 11 2HB LEU 11 104.830 5.739 -6.620
17 HG LEU 11 HG LEU 11 106.422 7.735 -5.820
18 1HD1 LEU 11 1HD1 LEU 11 107.330 5.735 -3.856
19 2HD1 LEU 11 2HD1 LEU 11 105.910 6.677 -3.403
20 3HD1 LEU 11 3HD1 LEU 11 107.418 7.496 -3.811
21 1HD2 LEU 11 1HD2 LEU 11 108.147 6.482 -6.643
22 2HD2 LEU 11 2HD2 LEU 11 106.770 5.559 -7.246
23 3HD2 LEU 11 3HD2 LEU 11 107.629 5.019 -5.803
24 H GLN 12 H GLN 12 102.347 5.599 -4.368
25 HA GLN 12 HA GLN 12 101.623 7.229 -2.117
26 1HB GLN 12 1HB GLN 12 100.688 4.870 -1.346
27 2HB GLN 12 2HB GLN 12 99.869 5.831 -2.568
28 1HG GLN 12 1HG GLN 12 101.912 3.896 -3.499
29 2HG GLN 12 2HG GLN 12 100.393 3.249 -2.885
30 1HE2 GLN 12 1HE2 GLN 12 101.023 2.789 -5.454
31 2HE2 GLN 12 2HE2 GLN 12 100.023 3.724 -6.507
32 H ILE 13 H ILE 13 102.253 7.022 0.016
33 HA ILE 13 HA ILE 13 104.592 5.296 0.488
34 HB ILE 13 HB ILE 13 104.064 7.987 1.751
35 1HG1 ILE 13 1HG1 ILE 13 105.628 7.138 -0.657
36 2HG1 ILE 13 2HG1 ILE 13 104.631 8.572 -0.421
37 1HG2 ILE 13 1HG2 ILE 13 105.363 6.253 3.056
38 2HG2 ILE 13 2HG2 ILE 13 106.180 7.792 2.776
39 3HG2 ILE 13 3HG2 ILE 13 106.603 6.380 1.808
40 1HD1 ILE 13 1HD1 ILE 13 106.606 9.047 1.354
41 2HD1 ILE 13 2HD1 ILE 13 106.617 9.605 -0.320
42 3HD1 ILE 13 3HD1 ILE 13 107.480 8.131 0.126
43 H TYR 14 H TYR 14 104.206 3.744 1.882
44 HA TYR 14 HA TYR 14 102.281 4.203 4.072
45 1HB TYR 14 1HB TYR 14 102.929 1.508 2.872
46 2HB TYR 14 2HB TYR 14 101.592 1.926 3.938
47 HD1 TYR 14 HD1 TYR 14 99.591 2.947 3.088
48 HD2 TYR 14 HD2 TYR 14 102.857 2.102 0.495
49 HE1 TYR 14 HE1 TYR 14 98.127 3.297 1.145
50 HE2 TYR 14 HE2 TYR 14 101.403 2.449 -1.455
51 HH TYR 14 HH TYR 14 98.464 3.962 -1.315
52 HA PRO 15 HA PRO 15 105.123 3.050 7.265
53 1HB PRO 15 1HB PRO 15 103.820 0.370 7.530
54 2HB PRO 15 2HB PRO 15 104.222 1.556 8.782
55 1HG PRO 15 1HG PRO 15 101.715 1.293 7.954
56 2HG PRO 15 2HG PRO 15 102.391 2.901 8.279
57 1HD PRO 15 1HD PRO 15 101.859 1.557 5.670
58 2HD PRO 15 2HD PRO 15 101.709 3.273 6.106
59 H TYR 16 H TYR 16 106.837 1.427 7.873
60 HA TYR 16 HA TYR 16 108.040 0.421 5.452
61 1HB TYR 16 1HB TYR 16 109.616 1.494 6.751
62 2HB TYR 16 2HB TYR 16 108.932 0.899 8.261
63 HD1 TYR 16 HD1 TYR 16 110.791 -0.248 5.244
64 HD2 TYR 16 HD2 TYR 16 109.917 -0.866 9.353
65 HE1 TYR 16 HE1 TYR 16 112.519 -1.994 5.325
66 HE2 TYR 16 HE2 TYR 16 111.645 -2.618 9.467
67 HH TYR 16 HH TYR 16 113.039 -4.005 6.750
68 H GLU 17 H GLU 17 107.536 -1.042 8.683
69 HA GLU 17 HA GLU 17 108.083 -3.658 8.108
70 1HB GLU 17 1HB GLU 17 106.305 -2.301 10.051
71 2HB GLU 17 2HB GLU 17 106.015 -4.017 9.807
72 1HG GLU 17 1HG GLU 17 108.820 -3.578 10.094
73 2HG GLU 17 2HG GLU 17 107.966 -2.783 11.420
74 H MET 18 H MET 18 104.972 -2.016 7.581
75 HA MET 18 HA MET 18 103.644 -4.329 6.594
76 1HB MET 18 1HB MET 18 103.080 -1.382 6.510
77 2HB MET 18 2HB MET 18 102.099 -2.496 5.566
78 1HG MET 18 1HG MET 18 102.534 -2.896 8.502
79 2HG MET 18 2HG MET 18 101.273 -1.823 7.886
80 1HE MET 18 1HE MET 18 101.546 -6.146 8.403
81 2HE MET 18 2HE MET 18 100.516 -5.241 9.511
82 3HE MET 18 3HE MET 18 102.187 -4.740 9.252
83 H LEU 19 H LEU 19 105.711 -1.922 5.198
84 HA LEU 19 HA LEU 19 105.113 -2.729 2.470
85 1HB LEU 19 1HB LEU 19 106.800 -0.598 3.725
86 2HB LEU 19 2HB LEU 19 106.976 -0.994 2.024
87 HG LEU 19 HG LEU 19 104.433 -0.048 3.344
88 1HD1 LEU 19 1HD1 LEU 19 106.051 1.480 1.345
89 2HD1 LEU 19 2HD1 LEU 19 106.418 1.572 3.067
90 3HD1 LEU 19 3HD1 LEU 19 104.831 2.062 2.476
91 1HD2 LEU 19 1HD2 LEU 19 103.365 -0.654 1.503
92 2HD2 LEU 19 2HD2 LEU 19 104.831 -1.475 0.967
93 3HD2 LEU 19 3HD2 LEU 19 104.531 0.198 0.493
94 H VAL 20 H VAL 20 106.824 -4.208 4.757
95 HA VAL 20 HA VAL 20 109.385 -4.517 3.570
96 HB VAL 20 HB VAL 20 108.022 -6.488 5.410
97 1HG1 VAL 20 1HG1 VAL 20 110.403 -6.840 6.142
98 2HG1 VAL 20 2HG1 VAL 20 110.889 -5.903 4.729
99 3HG1 VAL 20 3HG1 VAL 20 110.014 -7.424 4.522
100 1HG2 VAL 20 1HG2 VAL 20 108.167 -3.987 6.116
101 2HG2 VAL 20 2HG2 VAL 20 109.867 -4.367 6.378
102 3HG2 VAL 20 3HG2 VAL 20 108.619 -5.262 7.244
103 H VAL 21 H VAL 21 110.207 -6.236 2.307
104 HA VAL 21 HA VAL 21 108.356 -7.206 0.367
105 HB VAL 21 HB VAL 21 111.258 -7.947 0.735
106 1HG1 VAL 21 1HG1 VAL 21 110.535 -9.526 -0.751
107 2HG1 VAL 21 2HG1 VAL 21 110.920 -8.212 -1.863
108 3HG1 VAL 21 3HG1 VAL 21 109.247 -8.502 -1.387
109 1HG2 VAL 21 1HG2 VAL 21 110.144 -5.884 -1.144
110 2HG2 VAL 21 2HG2 VAL 21 111.829 -6.182 -0.719
111 3HG2 VAL 21 3HG2 VAL 21 110.730 -5.487 0.472
112 H THR 22 H THR 22 110.695 -9.119 2.281
113 HA THR 22 HA THR 22 108.817 -11.370 2.114
114 HB THR 22 HB THR 22 111.794 -11.298 2.605
115 HG1 THR 22 HG1 THR 22 111.844 -12.336 0.592
116 1HG2 THR 22 1HG2 THR 22 111.298 -13.875 2.043
117 2HG2 THR 22 2HG2 THR 22 109.859 -13.479 2.984
118 3HG2 THR 22 3HG2 THR 22 111.461 -13.240 3.681
119 H ASN 23 H ASN 23 111.346 -10.434 4.384
120 HA ASN 23 HA ASN 23 110.860 -11.674 6.620
121 1HB ASN 23 1HB ASN 23 111.193 -8.674 6.518
122 2HB ASN 23 2HB ASN 23 111.528 -9.697 7.914
123 1HD2 ASN 23 1HD2 ASN 23 112.521 -8.876 4.658
124 2HD2 ASN 23 2HD2 ASN 23 114.121 -9.516 4.779
125 H LYS 24 H LYS 24 108.840 -8.829 5.786
126 HA LYS 24 HA LYS 24 106.921 -9.802 7.801
127 1HB LYS 24 1HB LYS 24 107.947 -7.112 7.198
128 2HB LYS 24 2HB LYS 24 106.207 -7.201 7.464
129 1HG LYS 24 1HG LYS 24 107.395 -6.688 9.521
130 2HG LYS 24 2HG LYS 24 106.581 -8.249 9.629
131 1HD LYS 24 1HD LYS 24 108.876 -8.264 10.575
132 2HD LYS 24 2HD LYS 24 108.652 -9.416 9.258
133 1HE LYS 24 1HE LYS 24 110.785 -8.247 9.054
134 2HE LYS 24 2HE LYS 24 109.717 -7.860 7.707
135 1HZ LYS 24 1HZ LYS 24 109.083 -5.833 9.094
136 2HZ LYS 24 2HZ LYS 24 110.600 -5.825 8.349
137 3HZ LYS 24 3HZ LYS 24 110.473 -6.162 10.001
138 H GLY 25 H GLY 25 107.032 -10.518 4.898
139 1HA GLY 25 1HA GLY 25 104.436 -10.826 4.278
140 2HA GLY 25 2HA GLY 25 104.714 -9.165 3.784
141 H ARG 26 H ARG 26 104.243 -9.674 1.636
142 HA ARG 26 HA ARG 26 106.487 -10.875 0.199
143 1HB ARG 26 1HB ARG 26 104.693 -11.968 -1.330
144 2HB ARG 26 2HB ARG 26 105.103 -12.745 0.187
145 1HG ARG 26 1HG ARG 26 102.921 -10.846 0.460
146 2HG ARG 26 2HG ARG 26 102.575 -12.137 -0.691
147 1HD ARG 26 1HD ARG 26 103.595 -12.583 2.109
148 2HD ARG 26 2HD ARG 26 101.895 -12.656 1.647
149 HE ARG 26 HE ARG 26 103.050 -14.403 -0.051
150 1HH1 ARG 26 1HH1 ARG 26 103.204 -14.031 3.415
151 2HH1 ARG 26 2HH1 ARG 26 103.459 -15.717 3.711
152 1HH2 ARG 26 1HH2 ARG 26 103.385 -16.622 0.335
153 2HH2 ARG 26 2HH2 ARG 26 103.563 -17.188 1.962
154 H THR 27 H THR 27 104.737 -10.684 -2.312
155 HA THR 27 HA THR 27 105.336 -7.911 -2.849
156 HB THR 27 HB THR 27 104.815 -10.356 -4.400
157 HG1 THR 27 HG1 THR 27 106.337 -8.055 -5.021
158 1HG2 THR 27 1HG2 THR 27 102.992 -9.033 -5.304
159 2HG2 THR 27 2HG2 THR 27 104.291 -9.220 -6.482
160 3HG2 THR 27 3HG2 THR 27 104.101 -7.696 -5.612
161 H LYS 28 H LYS 28 102.892 -9.173 -1.284
162 HA LYS 28 HA LYS 28 100.695 -7.887 -2.665
163 1HB LYS 28 1HB LYS 28 100.904 -9.584 -0.215
164 2HB LYS 28 2HB LYS 28 99.381 -8.885 -0.755
165 1HG LYS 28 1HG LYS 28 99.790 -11.290 -1.407
166 2HG LYS 28 2HG LYS 28 99.359 -10.194 -2.720
167 1HD LYS 28 1HD LYS 28 101.576 -10.128 -3.529
168 2HD LYS 28 2HD LYS 28 102.221 -10.841 -2.051
169 1HE LYS 28 1HE LYS 28 102.211 -12.746 -3.243
170 2HE LYS 28 2HE LYS 28 100.495 -12.774 -2.837
171 1HZ LYS 28 1HZ LYS 28 99.901 -12.281 -4.936
172 2HZ LYS 28 2HZ LYS 28 101.417 -12.924 -5.323
173 3HZ LYS 28 3HZ LYS 28 101.216 -11.249 -5.201
174 H LEU 29 H LEU 29 102.677 -6.159 -1.641
175 HA LEU 29 HA LEU 29 102.090 -5.049 0.876
176 1HB LEU 29 1HB LEU 29 102.778 -3.002 -1.066
177 2HB LEU 29 2HB LEU 29 103.578 -3.424 0.420
178 HG LEU 29 HG LEU 29 104.149 -4.321 -2.378
179 1HD1 LEU 29 1HD1 LEU 29 105.319 -2.587 -0.555
180 2HD1 LEU 29 2HD1 LEU 29 106.012 -3.182 -2.064
181 3HD1 LEU 29 3HD1 LEU 29 106.353 -4.012 -0.549
182 1HD2 LEU 29 1HD2 LEU 29 105.762 -5.831 -0.634
183 2HD2 LEU 29 2HD2 LEU 29 104.557 -6.427 -1.772
184 3HD2 LEU 29 3HD2 LEU 29 104.103 -6.079 -0.104
185 HA PRO 30 HA PRO 30 98.374 -2.626 0.652
186 1HB PRO 30 1HB PRO 30 100.066 -0.179 0.276
187 2HB PRO 30 2HB PRO 30 98.680 -0.429 1.349
188 1HG PRO 30 1HG PRO 30 101.176 -0.495 2.296
189 2HG PRO 30 2HG PRO 30 99.928 -1.597 2.911
190 1HD PRO 30 1HD PRO 30 102.253 -2.161 1.159
191 2HD PRO 30 2HD PRO 30 101.385 -3.239 2.272
192 HA PRO 31 HA PRO 31 97.367 -1.950 -3.585
193 1HB PRO 31 1HB PRO 31 96.094 0.516 -3.602
194 2HB PRO 31 2HB PRO 31 95.328 -1.030 -3.215
195 1HG PRO 31 1HG PRO 31 96.387 1.077 -1.379
196 2HG PRO 31 2HG PRO 31 94.926 0.082 -1.226
197 1HD PRO 31 1HD PRO 31 97.138 -0.456 0.189
198 2HD PRO 31 2HD PRO 31 96.112 -1.757 -0.449
199 H GLY 32 H GLY 32 99.187 -1.680 -4.801
200 1HA GLY 32 1HA GLY 32 100.210 -0.255 -6.419
201 2HA GLY 32 2HA GLY 32 99.968 1.100 -5.337
202 H VAL 33 H VAL 33 101.562 -2.056 -4.679
203 HA VAL 33 HA VAL 33 104.097 -0.634 -4.482
204 HB VAL 33 HB VAL 33 103.797 -2.547 -2.354
205 1HG1 VAL 33 1HG1 VAL 33 105.743 -1.136 -2.660
206 2HG1 VAL 33 2HG1 VAL 33 104.968 -0.832 -1.109
207 3HG1 VAL 33 3HG1 VAL 33 104.737 0.294 -2.444
208 1HG2 VAL 33 1HG2 VAL 33 101.659 -1.804 -1.938
209 2HG2 VAL 33 2HG2 VAL 33 102.014 -0.162 -2.472
210 3HG2 VAL 33 3HG2 VAL 33 102.633 -0.746 -0.926
211 H ASP 34 H ASP 34 105.881 -1.689 -4.954
212 HA ASP 34 HA ASP 34 105.839 -4.579 -5.304
213 1HB ASP 34 1HB ASP 34 105.205 -3.417 -7.501
214 2HB ASP 34 2HB ASP 34 106.861 -2.809 -7.526
215 H ARG 35 H ARG 35 107.659 -5.417 -4.491
216 HA ARG 35 HA ARG 35 109.588 -4.048 -3.143
217 1HB ARG 35 1HB ARG 35 110.966 -6.043 -3.235
218 2HB ARG 35 2HB ARG 35 109.277 -6.484 -3.025
219 1HG ARG 35 1HG ARG 35 110.470 -6.410 -5.762
220 2HG ARG 35 2HG ARG 35 110.753 -7.795 -4.700
221 1HD ARG 35 1HD ARG 35 108.233 -7.882 -4.399
222 2HD ARG 35 2HD ARG 35 108.134 -6.751 -5.747
223 HE ARG 35 HE ARG 35 108.679 -8.455 -7.187
224 1HH1 ARG 35 1HH1 ARG 35 109.260 -9.491 -3.904
225 2HH1 ARG 35 2HH1 ARG 35 109.533 -11.143 -4.342
226 1HH2 ARG 35 1HH2 ARG 35 109.039 -10.630 -7.763
227 2HH2 ARG 35 2HH2 ARG 35 109.408 -11.790 -6.531
228 H MET 36 H MET 36 109.374 -4.387 -6.583
229 HA MET 36 HA MET 36 111.947 -4.132 -7.464
230 1HB MET 36 1HB MET 36 109.387 -2.938 -8.491
231 2HB MET 36 2HB MET 36 110.912 -2.677 -9.324
232 1HG MET 36 1HG MET 36 111.130 -4.912 -9.901
233 2HG MET 36 2HG MET 36 109.997 -5.443 -8.655
234 1HE MET 36 1HE MET 36 109.371 -6.935 -11.063
235 2HE MET 36 2HE MET 36 110.314 -5.841 -12.074
236 3HE MET 36 3HE MET 36 108.615 -6.139 -12.443
237 H ARG 37 H ARG 37 109.902 -1.585 -6.113
238 HA ARG 37 HA ARG 37 112.299 0.083 -5.841
239 1HB ARG 37 1HB ARG 37 110.433 2.005 -6.288
240 2HB ARG 37 2HB ARG 37 111.531 1.388 -7.511
241 1HG ARG 37 1HG ARG 37 108.989 -0.075 -7.158
242 2HG ARG 37 2HG ARG 37 108.889 1.543 -7.855
243 1HD ARG 37 1HD ARG 37 110.483 0.918 -9.581
244 2HD ARG 37 2HD ARG 37 110.659 -0.682 -8.864
245 HE ARG 37 HE ARG 37 107.946 -0.149 -9.496
246 1HH1 ARG 37 1HH1 ARG 37 110.999 -1.005 -10.954
247 2HH1 ARG 37 2HH1 ARG 37 110.271 -1.814 -12.300
248 1HH2 ARG 37 1HH2 ARG 37 106.987 -1.212 -11.266
249 2HH2 ARG 37 2HH2 ARG 37 107.994 -1.931 -12.478
250 H LEU 38 H LEU 38 110.633 -1.581 -4.014
251 HA LEU 38 HA LEU 38 108.932 -0.219 -2.391
252 1HB LEU 38 1HB LEU 38 110.641 -2.539 -2.189
253 2HB LEU 38 2HB LEU 38 110.493 -1.717 -0.639
254 HG LEU 38 HG LEU 38 108.186 -2.652 -2.343
255 1HD1 LEU 38 1HD1 LEU 38 109.811 -3.941 -0.291
256 2HD1 LEU 38 2HD1 LEU 38 108.710 -4.640 -1.478
257 3HD1 LEU 38 3HD1 LEU 38 108.081 -3.992 0.033
258 1HD2 LEU 38 1HD2 LEU 38 107.125 -1.053 -1.200
259 2HD2 LEU 38 2HD2 LEU 38 108.424 -0.887 -0.022
260 3HD2 LEU 38 3HD2 LEU 38 107.230 -2.172 0.158
261 H GLU 39 H GLU 39 112.426 0.111 -2.530
262 HA GLU 39 HA GLU 39 112.678 1.566 -0.105
263 1HB GLU 39 1HB GLU 39 114.910 1.809 -0.613
264 2HB GLU 39 2HB GLU 39 114.499 0.358 -1.516
265 1HG GLU 39 1HG GLU 39 114.712 3.141 -2.641
266 2HG GLU 39 2HG GLU 39 115.900 1.850 -2.820
267 H ARG 40 H ARG 40 110.882 2.422 -2.621
268 HA ARG 40 HA ARG 40 111.569 5.276 -2.399
269 1HB ARG 40 1HB ARG 40 111.287 3.638 -4.686
270 2HB ARG 40 2HB ARG 40 109.901 4.718 -4.664
271 1HG ARG 40 1HG ARG 40 112.282 6.193 -4.062
272 2HG ARG 40 2HG ARG 40 112.508 5.267 -5.548
273 1HD ARG 40 1HD ARG 40 111.539 7.107 -6.452
274 2HD ARG 40 2HD ARG 40 110.070 6.229 -6.033
275 HE ARG 40 HE ARG 40 110.531 7.678 -3.815
276 1HH1 ARG 40 1HH1 ARG 40 110.408 8.543 -7.195
277 2HH1 ARG 40 2HH1 ARG 40 109.850 10.153 -6.891
278 1HH2 ARG 40 1HH2 ARG 40 109.798 9.795 -3.414
279 2HH2 ARG 40 2HH2 ARG 40 109.504 10.865 -4.744
280 H HIS 41 H HIS 41 109.346 2.858 -1.721
281 HA HIS 41 HA HIS 41 107.001 4.565 -1.712
282 1HB HIS 41 1HB HIS 41 107.564 1.659 -1.299
283 2HB HIS 41 2HB HIS 41 106.091 2.336 -0.626
284 HD1 HIS 41 HD1 HIS 41 104.647 3.765 -2.557
285 HD2 HIS 41 HD2 HIS 41 107.241 0.774 -3.820
286 HE1 HIS 41 HE1 HIS 41 103.903 3.165 -4.883
287 HE2 HIS 41 HE2 HIS 41 105.430 1.292 -5.591
288 H LEU 42 H LEU 42 109.587 4.033 0.302
289 HA LEU 42 HA LEU 42 108.195 4.075 2.814
290 1HB LEU 42 1HB LEU 42 111.097 4.284 2.031
291 2HB LEU 42 2HB LEU 42 110.539 4.312 3.698
292 HG LEU 42 HG LEU 42 109.496 2.029 2.223
293 1HD1 LEU 42 1HD1 LEU 42 111.311 1.346 1.164
294 2HD1 LEU 42 2HD1 LEU 42 112.115 1.190 2.729
295 3HD1 LEU 42 3HD1 LEU 42 112.258 2.689 1.802
296 1HD2 LEU 42 1HD2 LEU 42 109.785 2.689 4.770
297 2HD2 LEU 42 2HD2 LEU 42 111.286 1.792 4.552
298 3HD2 LEU 42 3HD2 LEU 42 109.737 1.015 4.219
299 H SER 43 H SER 43 108.057 5.772 4.226
300 HA SER 43 HA SER 43 108.048 8.394 3.084
301 1HB SER 43 1HB SER 43 107.034 9.108 5.081
302 2HB SER 43 2HB SER 43 106.484 7.437 4.917
303 HG SER 43 HG SER 43 107.227 7.381 6.911
304 H ALA 44 H ALA 44 109.220 10.232 3.949
305 HA ALA 44 HA ALA 44 111.950 9.958 3.938
306 1HB ALA 44 1HB ALA 44 110.501 12.088 3.825
307 2HB ALA 44 2HB ALA 44 112.103 12.200 4.557
308 3HB ALA 44 3HB ALA 44 110.670 12.115 5.581
309 H GLU 45 H GLU 45 109.763 9.497 6.594
310 HA GLU 45 HA GLU 45 111.828 9.462 8.612
311 1HB GLU 45 1HB GLU 45 109.348 8.083 9.314
312 2HB GLU 45 2HB GLU 45 110.134 9.438 10.100
313 1HG GLU 45 1HG GLU 45 109.152 10.748 8.027
314 2HG GLU 45 2HG GLU 45 108.009 9.405 8.041
315 H ASP 46 H ASP 46 109.727 7.094 7.047
316 HA ASP 46 HA ASP 46 110.760 4.792 8.217
317 1HB ASP 46 1HB ASP 46 109.734 4.934 5.383
318 2HB ASP 46 2HB ASP 46 109.666 3.565 6.495
319 H PHE 47 H PHE 47 111.630 6.258 5.066
320 HA PHE 47 HA PHE 47 113.604 4.469 4.331
321 1HB PHE 47 1HB PHE 47 112.587 6.483 3.055
322 2HB PHE 47 2HB PHE 47 113.886 7.412 3.808
323 HD1 PHE 47 HD1 PHE 47 113.256 4.392 1.757
324 HD2 PHE 47 HD2 PHE 47 115.984 7.468 2.845
325 HE1 PHE 47 HE1 PHE 47 114.810 3.647 -0.013
326 HE2 PHE 47 HE2 PHE 47 117.538 6.729 1.083
327 HZ PHE 47 HZ PHE 47 116.944 4.819 -0.350
328 H SER 48 H SER 48 114.077 7.586 5.995
329 HA SER 48 HA SER 48 116.825 7.200 6.468
330 1HB SER 48 1HB SER 48 114.856 8.967 7.941
331 2HB SER 48 2HB SER 48 116.613 9.088 8.046
332 HG SER 48 HG SER 48 116.512 9.380 5.682
333 H ARG 49 H ARG 49 114.142 5.713 7.895
334 HA ARG 49 HA ARG 49 115.457 5.271 10.457
335 1HB ARG 49 1HB ARG 49 113.037 5.766 10.397
336 2HB ARG 49 2HB ARG 49 112.774 4.302 9.459
337 1HG ARG 49 1HG ARG 49 112.422 3.285 11.400
338 2HG ARG 49 2HG ARG 49 114.163 3.401 11.659
339 1HD ARG 49 1HD ARG 49 112.033 5.310 12.606
340 2HD ARG 49 2HD ARG 49 113.060 4.271 13.597
341 HE ARG 49 HE ARG 49 114.850 5.811 12.298
342 1HH1 ARG 49 1HH1 ARG 49 111.984 6.572 14.138
343 2HH1 ARG 49 2HH1 ARG 49 112.583 8.104 14.674
344 1HH2 ARG 49 1HH2 ARG 49 115.641 7.827 13.003
345 2HH2 ARG 49 2HH2 ARG 49 114.658 8.818 14.028
346 H VAL 50 H VAL 50 114.574 3.526 7.531
347 HA VAL 50 HA VAL 50 115.550 1.011 8.625
348 HB VAL 50 HB VAL 50 114.650 1.463 5.788
349 1HG1 VAL 50 1HG1 VAL 50 114.345 -0.852 5.690
350 2HG1 VAL 50 2HG1 VAL 50 114.400 -1.025 7.443
351 3HG1 VAL 50 3HG1 VAL 50 115.871 -0.645 6.549
352 1HG2 VAL 50 1HG2 VAL 50 112.440 1.240 6.311
353 2HG2 VAL 50 2HG2 VAL 50 112.992 2.136 7.727
354 3HG2 VAL 50 3HG2 VAL 50 112.766 0.390 7.821
355 H PHE 51 H PHE 51 116.465 3.407 6.195
356 HA PHE 51 HA PHE 51 118.897 1.868 5.625
357 1HB PHE 51 1HB PHE 51 117.707 4.229 4.159
358 2HB PHE 51 2HB PHE 51 119.148 3.341 3.671
359 HD1 PHE 51 HD1 PHE 51 118.572 0.611 3.753
360 HD2 PHE 51 HD2 PHE 51 115.914 3.799 2.836
361 HE1 PHE 51 HE1 PHE 51 117.177 -0.934 2.431
362 HE2 PHE 51 HE2 PHE 51 114.512 2.258 1.516
363 HZ PHE 51 HZ PHE 51 115.151 -0.104 1.313
364 H ALA 52 H ALA 52 117.796 4.986 6.832
365 HA ALA 52 HA ALA 52 118.879 6.512 8.166
366 1HB ALA 52 1HB ALA 52 121.452 5.015 7.888
367 2HB ALA 52 2HB ALA 52 120.170 4.424 8.945
368 3HB ALA 52 3HB ALA 52 120.887 6.011 9.228
369 H MET 53 H MET 53 119.058 6.179 5.092
370 HA MET 53 HA MET 53 120.959 8.382 4.679
371 1HB MET 53 1HB MET 53 121.036 7.076 2.292
372 2HB MET 53 2HB MET 53 122.248 6.936 3.561
373 1HG MET 53 1HG MET 53 121.567 4.858 4.185
374 2HG MET 53 2HG MET 53 119.893 5.139 3.696
375 1HE MET 53 1HE MET 53 119.301 5.644 1.256
376 2HE MET 53 2HE MET 53 120.032 4.822 -0.124
377 3HE MET 53 3HE MET 53 120.762 6.294 0.508
378 H SER 54 H SER 54 120.554 9.597 2.711
379 HA SER 54 HA SER 54 117.833 10.387 2.591
380 1HB SER 54 1HB SER 54 120.315 11.153 1.063
381 2HB SER 54 2HB SER 54 118.737 11.849 0.677
382 HG SER 54 HG SER 54 119.867 13.149 2.165
383 HA PRO 55 HA PRO 55 116.131 7.740 -0.551
384 1HB PRO 55 1HB PRO 55 114.926 10.279 -1.555
385 2HB PRO 55 2HB PRO 55 114.147 8.733 -1.198
386 1HG PRO 55 1HG PRO 55 113.898 10.811 0.459
387 2HG PRO 55 2HG PRO 55 114.048 9.153 1.077
388 1HD PRO 55 1HD PRO 55 116.057 11.353 1.040
389 2HD PRO 55 2HD PRO 55 115.834 10.042 2.219
390 H GLU 56 H GLU 56 117.702 10.785 -1.205
391 HA GLU 56 HA GLU 56 118.170 10.237 -3.993
392 1HB GLU 56 1HB GLU 56 118.013 12.528 -3.553
393 2HB GLU 56 2HB GLU 56 118.952 12.407 -2.069
394 1HG GLU 56 1HG GLU 56 120.901 12.689 -3.128
395 2HG GLU 56 2HG GLU 56 120.417 11.695 -4.506
396 H GLU 57 H GLU 57 119.840 9.887 -0.932
397 HA GLU 57 HA GLU 57 122.438 9.457 -1.820
398 1HB GLU 57 1HB GLU 57 120.920 8.822 0.645
399 2HB GLU 57 2HB GLU 57 122.254 7.729 0.305
400 1HG GLU 57 1HG GLU 57 123.751 9.694 0.107
401 2HG GLU 57 2HG GLU 57 122.400 10.715 0.599
402 H PHE 58 H PHE 58 119.862 7.050 -1.258
403 HA PHE 58 HA PHE 58 121.085 4.704 -1.967
404 1HB PHE 58 1HB PHE 58 118.516 5.460 -1.478
405 2HB PHE 58 2HB PHE 58 118.419 5.132 -3.206
406 HD1 PHE 58 HD1 PHE 58 118.501 3.721 0.091
407 HD2 PHE 58 HD2 PHE 58 119.080 2.841 -4.032
408 HE1 PHE 58 HE1 PHE 58 118.219 1.328 0.569
409 HE2 PHE 58 HE2 PHE 58 118.797 0.443 -3.558
410 HZ PHE 58 HZ PHE 58 118.367 -0.320 -1.255
411 H GLY 59 H GLY 59 119.275 6.706 -4.316
412 1HA GLY 59 1HA GLY 59 120.068 5.353 -6.608
413 2HA GLY 59 2HA GLY 59 119.590 7.043 -6.565
414 H LYS 60 H LYS 60 121.886 7.551 -4.648
415 HA LYS 60 HA LYS 60 123.915 7.861 -6.735
416 1HB LYS 60 1HB LYS 60 123.265 9.307 -4.208
417 2HB LYS 60 2HB LYS 60 124.933 9.331 -4.777
418 1HG LYS 60 1HG LYS 60 124.435 10.584 -6.622
419 2HG LYS 60 2HG LYS 60 122.769 9.998 -6.704
420 1HD LYS 60 1HD LYS 60 122.282 12.035 -5.867
421 2HD LYS 60 2HD LYS 60 122.726 11.292 -4.329
422 1HE LYS 60 1HE LYS 60 125.153 12.069 -5.199
423 2HE LYS 60 2HE LYS 60 124.147 13.309 -5.948
424 1HZ LYS 60 1HZ LYS 60 123.643 14.221 -3.968
425 2HZ LYS 60 2HZ LYS 60 125.080 13.482 -3.469
426 3HZ LYS 60 3HZ LYS 60 123.594 12.739 -3.153
427 H LEU 61 H LEU 61 123.231 5.612 -4.465
428 HA LEU 61 HA LEU 61 125.822 5.275 -3.305
429 1HB LEU 61 1HB LEU 61 123.335 3.557 -3.334
430 2HB LEU 61 2HB LEU 61 124.769 3.183 -2.405
431 HG LEU 61 HG LEU 61 122.849 5.432 -1.987
432 1HD1 LEU 61 1HD1 LEU 61 123.409 2.872 -0.768
433 2HD1 LEU 61 2HD1 LEU 61 122.012 3.927 -0.595
434 3HD1 LEU 61 3HD1 LEU 61 123.443 4.195 0.397
435 1HD2 LEU 61 1HD2 LEU 61 125.072 6.393 -1.817
436 2HD2 LEU 61 2HD2 LEU 61 125.574 5.083 -0.747
437 3HD2 LEU 61 3HD2 LEU 61 124.352 6.237 -0.215
438 H ALA 62 H ALA 62 125.450 2.266 -3.697
439 HA ALA 62 HA ALA 62 126.464 2.066 -6.444
440 1HB ALA 62 1HB ALA 62 127.548 0.443 -4.153
441 2HB ALA 62 2HB ALA 62 128.272 1.956 -4.693
442 3HB ALA 62 3HB ALA 62 128.188 0.577 -5.789
443 H LEU 63 H LEU 63 126.769 -0.616 -6.684
444 HA LEU 63 HA LEU 63 124.010 -1.518 -6.689
445 1HB LEU 63 1HB LEU 63 125.661 -1.761 -8.608
446 2HB LEU 63 2HB LEU 63 126.413 -3.035 -7.667
447 HG LEU 63 HG LEU 63 123.588 -3.511 -7.829
448 1HD1 LEU 63 1HD1 LEU 63 123.460 -3.944 -10.259
449 2HD1 LEU 63 2HD1 LEU 63 124.996 -3.099 -10.459
450 3HD1 LEU 63 3HD1 LEU 63 123.583 -2.228 -9.861
451 1HD2 LEU 63 1HD2 LEU 63 124.269 -5.647 -8.186
452 2HD2 LEU 63 2HD2 LEU 63 125.773 -4.988 -7.539
453 3HD2 LEU 63 3HD2 LEU 63 125.566 -5.169 -9.283
454 H TRP 64 H TRP 64 126.925 -2.098 -4.936
455 HA TRP 64 HA TRP 64 125.998 -4.542 -3.719
456 1HB TRP 64 1HB TRP 64 128.161 -4.232 -2.427
457 2HB TRP 64 2HB TRP 64 128.347 -4.384 -4.180
458 HD1 TRP 64 HD1 TRP 64 129.387 -2.331 -5.443
459 HE1 TRP 64 HE1 TRP 64 130.295 -0.051 -4.681
460 HE3 TRP 64 HE3 TRP 64 127.655 -2.409 -0.763
461 HZ2 TRP 64 HZ2 TRP 64 130.264 1.508 -2.278
462 HZ3 TRP 64 HZ3 TRP 64 128.131 -0.488 0.744
463 HH2 TRP 64 HH2 TRP 64 129.394 1.423 -0.013
464 H LYS 65 H LYS 65 126.278 -1.144 -3.138
465 HA LYS 65 HA LYS 65 125.640 -1.206 -0.350
466 1HB LYS 65 1HB LYS 65 126.787 0.701 -1.553
467 2HB LYS 65 2HB LYS 65 125.227 1.094 -2.266
468 1HG LYS 65 1HG LYS 65 125.361 2.538 -0.467
469 2HG LYS 65 2HG LYS 65 124.388 1.204 0.166
470 1HD LYS 65 1HD LYS 65 126.366 0.259 1.235
471 2HD LYS 65 2HD LYS 65 127.356 1.567 0.576
472 1HE LYS 65 1HE LYS 65 125.526 3.050 1.801
473 2HE LYS 65 2HE LYS 65 125.383 1.596 2.799
474 1HZ LYS 65 1HZ LYS 65 127.843 3.191 2.317
475 2HZ LYS 65 2HZ LYS 65 127.813 1.716 3.147
476 3HZ LYS 65 3HZ LYS 65 126.988 3.055 3.771
477 H ARG 66 H ARG 66 123.746 -0.078 -3.166
478 HA ARG 66 HA ARG 66 121.283 0.229 -2.006
479 1HB ARG 66 1HB ARG 66 121.936 -0.897 -4.732
480 2HB ARG 66 2HB ARG 66 120.327 -0.393 -4.238
481 1HG ARG 66 1HG ARG 66 121.097 1.872 -3.924
482 2HG ARG 66 2HG ARG 66 122.744 1.380 -4.319
483 1HD ARG 66 1HD ARG 66 120.389 1.138 -6.191
484 2HD ARG 66 2HD ARG 66 121.538 2.484 -6.199
485 HE ARG 66 HE ARG 66 123.026 0.161 -6.423
486 1HH1 ARG 66 1HH1 ARG 66 120.559 1.811 -8.257
487 2HH1 ARG 66 2HH1 ARG 66 121.122 1.221 -9.785
488 1HH2 ARG 66 1HH2 ARG 66 123.770 -0.615 -8.433
489 2HH2 ARG 66 2HH2 ARG 66 122.945 -0.157 -9.884
490 H ASN 67 H ASN 67 122.744 -2.707 -3.252
491 HA ASN 67 HA ASN 67 120.594 -4.457 -2.794
492 1HB ASN 67 1HB ASN 67 123.492 -4.718 -3.286
493 2HB ASN 67 2HB ASN 67 122.766 -6.070 -2.415
494 1HD2 ASN 67 1HD2 ASN 67 122.422 -4.072 -5.302
495 2HD2 ASN 67 2HD2 ASN 67 121.719 -5.304 -6.289
496 H GLU 68 H GLU 68 123.536 -4.184 -0.804
497 HA GLU 68 HA GLU 68 122.816 -5.632 1.372
498 1HB GLU 68 1HB GLU 68 124.432 -3.096 1.210
499 2HB GLU 68 2HB GLU 68 124.265 -4.010 2.702
500 1HG GLU 68 1HG GLU 68 125.063 -5.640 0.421
501 2HG GLU 68 2HG GLU 68 126.213 -4.363 0.819
502 H LEU 69 H LEU 69 121.966 -2.229 0.767
503 HA LEU 69 HA LEU 69 120.706 -1.758 3.234
504 1HB LEU 69 1HB LEU 69 119.875 -0.521 0.624
505 2HB LEU 69 2HB LEU 69 119.707 0.149 2.235
506 HG LEU 69 HG LEU 69 122.427 -0.450 1.298
507 1HD1 LEU 69 1HD1 LEU 69 122.495 1.003 -0.377
508 2HD1 LEU 69 2HD1 LEU 69 121.627 2.217 0.556
509 3HD1 LEU 69 3HD1 LEU 69 120.735 0.992 -0.336
510 1HD2 LEU 69 1HD2 LEU 69 121.108 1.599 3.039
511 2HD2 LEU 69 2HD2 LEU 69 122.776 1.775 2.495
512 3HD2 LEU 69 3HD2 LEU 69 122.311 0.389 3.482
513 H LYS 70 H LYS 70 119.206 -2.373 0.089
514 HA LYS 70 HA LYS 70 116.605 -2.880 1.034
515 1HB LYS 70 1HB LYS 70 118.122 -3.538 -1.450
516 2HB LYS 70 2HB LYS 70 116.599 -4.363 -1.164
517 1HG LYS 70 1HG LYS 70 115.360 -2.408 -1.300
518 2HG LYS 70 2HG LYS 70 116.765 -1.384 -0.982
519 1HD LYS 70 1HD LYS 70 116.251 -1.152 -3.290
520 2HD LYS 70 2HD LYS 70 117.693 -2.165 -3.190
521 1HE LYS 70 1HE LYS 70 116.174 -4.160 -3.341
522 2HE LYS 70 2HE LYS 70 114.856 -3.043 -3.693
523 1HZ LYS 70 1HZ LYS 70 115.969 -4.059 -5.673
524 2HZ LYS 70 2HZ LYS 70 117.347 -3.155 -5.295
525 3HZ LYS 70 3HZ LYS 70 115.901 -2.368 -5.684
526 H LYS 71 H LYS 71 119.480 -4.745 1.115
527 HA LYS 71 HA LYS 71 118.163 -7.283 1.512
528 1HB LYS 71 1HB LYS 71 121.021 -6.340 1.402
529 2HB LYS 71 2HB LYS 71 120.627 -7.964 1.977
530 1HG LYS 71 1HG LYS 71 119.604 -8.510 -0.124
531 2HG LYS 71 2HG LYS 71 119.795 -6.847 -0.691
532 1HD LYS 71 1HD LYS 71 122.120 -7.059 -0.874
533 2HD LYS 71 2HD LYS 71 122.162 -8.490 0.157
534 1HE LYS 71 1HE LYS 71 120.762 -9.605 -1.686
535 2HE LYS 71 2HE LYS 71 121.267 -8.252 -2.695
536 1HZ LYS 71 1HZ LYS 71 123.615 -8.929 -1.862
537 2HZ LYS 71 2HZ LYS 71 122.892 -9.785 -3.128
538 3HZ LYS 71 3HZ LYS 71 122.884 -10.425 -1.562
539 H LYS 72 H LYS 72 119.540 -4.745 3.453
540 HA LYS 72 HA LYS 72 119.368 -6.364 5.867
541 1HB LYS 72 1HB LYS 72 121.401 -5.091 5.688
542 2HB LYS 72 2HB LYS 72 120.506 -3.618 5.342
543 1HG LYS 72 1HG LYS 72 119.798 -4.870 7.889
544 2HG LYS 72 2HG LYS 72 121.479 -4.337 7.782
545 1HD LYS 72 1HD LYS 72 120.839 -2.236 8.126
546 2HD LYS 72 2HD LYS 72 119.839 -2.296 6.676
547 1HE LYS 72 1HE LYS 72 118.011 -2.196 7.933
548 2HE LYS 72 2HE LYS 72 118.475 -3.698 8.733
549 1HZ LYS 72 1HZ LYS 72 119.731 -2.445 10.340
550 2HZ LYS 72 2HZ LYS 72 118.146 -1.856 10.293
551 3HZ LYS 72 3HZ LYS 72 119.392 -0.992 9.543
552 H ALA 73 H ALA 73 117.751 -3.946 4.097
553 HA ALA 73 HA ALA 73 116.148 -2.935 6.262
554 1HB ALA 73 1HB ALA 73 116.420 -2.441 3.352
555 2HB ALA 73 2HB ALA 73 116.425 -1.299 4.696
556 3HB ALA 73 3HB ALA 73 114.903 -1.986 4.127
557 H GLU 74 H GLU 74 116.135 -5.843 4.791
558 HA GLU 74 HA GLU 74 114.612 -7.534 4.709
559 1HB GLU 74 1HB GLU 74 112.564 -5.653 5.870
560 2HB GLU 74 2HB GLU 74 112.609 -7.404 5.981
561 1HG GLU 74 1HG GLU 74 114.628 -7.243 7.376
562 2HG GLU 74 2HG GLU 74 114.511 -5.485 7.305
563 H LEU 75 H LEU 75 114.791 -5.153 2.732
564 HA LEU 75 HA LEU 75 112.538 -6.050 1.135
565 1HB LEU 75 1HB LEU 75 112.699 -3.391 0.422
566 2HB LEU 75 2HB LEU 75 111.426 -4.145 1.372
567 HG LEU 75 HG LEU 75 113.388 -3.532 3.219
568 1HD1 LEU 75 1HD1 LEU 75 114.686 -2.129 1.890
569 2HD1 LEU 75 2HD1 LEU 75 113.612 -1.018 2.743
570 3HD1 LEU 75 3HD1 LEU 75 113.278 -1.459 1.064
571 1HD2 LEU 75 1HD2 LEU 75 111.709 -1.512 3.565
572 2HD2 LEU 75 2HD2 LEU 75 111.258 -3.175 3.937
573 3HD2 LEU 75 3HD2 LEU 75 110.750 -2.444 2.413
574 H PHE 76 H PHE 76 114.478 -7.260 0.310
575 HA PHE 76 HA PHE 76 115.650 -5.709 -1.903
576 1HB PHE 76 1HB PHE 76 117.628 -6.115 -0.862
577 2HB PHE 76 2HB PHE 76 116.975 -7.458 0.078
578 HD1 PHE 76 HD1 PHE 76 118.404 -6.478 -3.176
579 HD2 PHE 76 HD2 PHE 76 117.239 -9.702 -0.655
580 HE1 PHE 76 HE1 PHE 76 119.561 -8.056 -4.667
581 HE2 PHE 76 HE2 PHE 76 118.397 -11.287 -2.139
582 HZ PHE 76 HZ PHE 76 119.559 -10.464 -4.149
Start of MODEL 15
1 HT1 PRO 9 HT1 PRO 9 102.617 13.791 -11.078
2 HT2 PRO 9 HT2 PRO 9 103.349 12.474 -10.416
3 HA PRO 9 HA PRO 9 102.407 14.557 -9.193
4 1HB PRO 9 1HB PRO 9 100.624 12.606 -7.999
5 2HB PRO 9 2HB PRO 9 100.267 14.241 -8.569
6 1HG PRO 9 1HG PRO 9 99.375 11.997 -9.827
7 2HG PRO 9 2HG PRO 9 99.690 13.528 -10.665
8 1HD PRO 9 1HD PRO 9 101.415 11.074 -10.487
9 2HD PRO 9 2HD PRO 9 101.059 12.095 -11.894
10 H GLY 10 H GLY 10 102.879 11.064 -9.016
11 1HA GLY 10 1HA GLY 10 105.086 10.645 -7.743
12 2HA GLY 10 2HA GLY 10 104.212 11.384 -6.411
13 H LEU 11 H LEU 11 104.883 9.216 -5.518
14 HA LEU 11 HA LEU 11 102.806 7.228 -6.139
15 1HB LEU 11 1HB LEU 11 104.696 5.777 -4.853
16 2HB LEU 11 2HB LEU 11 104.533 5.885 -6.594
17 HG LEU 11 HG LEU 11 106.165 7.960 -6.244
18 1HD1 LEU 11 1HD1 LEU 11 107.849 7.288 -4.497
19 2HD1 LEU 11 2HD1 LEU 11 106.625 6.189 -3.859
20 3HD1 LEU 11 3HD1 LEU 11 106.325 7.927 -3.883
21 1HD2 LEU 11 1HD2 LEU 11 107.776 6.650 -7.173
22 2HD2 LEU 11 2HD2 LEU 11 106.385 5.590 -7.402
23 3HD2 LEU 11 3HD2 LEU 11 107.492 5.315 -6.057
24 H GLN 12 H GLN 12 102.241 5.808 -4.292
25 HA GLN 12 HA GLN 12 101.617 7.426 -1.999
26 1HB GLN 12 1HB GLN 12 100.655 5.117 -1.206
27 2HB GLN 12 2HB GLN 12 99.847 6.030 -2.472
28 1HG GLN 12 1HG GLN 12 101.892 4.095 -3.354
29 2HG GLN 12 2HG GLN 12 100.417 3.425 -2.664
30 1HE2 GLN 12 1HE2 GLN 12 101.639 3.668 -5.458
31 2HE2 GLN 12 2HE2 GLN 12 100.321 4.221 -6.428
32 H ILE 13 H ILE 13 102.159 6.953 0.186
33 HA ILE 13 HA ILE 13 104.509 5.230 0.544
34 HB ILE 13 HB ILE 13 104.204 7.992 1.729
35 1HG1 ILE 13 1HG1 ILE 13 105.782 6.932 -0.610
36 2HG1 ILE 13 2HG1 ILE 13 104.698 8.321 -0.556
37 1HG2 ILE 13 1HG2 ILE 13 105.427 6.208 3.059
38 2HG2 ILE 13 2HG2 ILE 13 106.314 7.695 2.722
39 3HG2 ILE 13 3HG2 ILE 13 106.642 6.239 1.782
40 1HD1 ILE 13 1HD1 ILE 13 107.537 8.158 -0.048
41 2HD1 ILE 13 2HD1 ILE 13 106.672 8.949 1.271
42 3HD1 ILE 13 3HD1 ILE 13 106.524 9.563 -0.375
43 H TYR 14 H TYR 14 104.248 3.816 2.119
44 HA TYR 14 HA TYR 14 102.417 4.430 4.348
45 1HB TYR 14 1HB TYR 14 102.787 1.653 3.237
46 2HB TYR 14 2HB TYR 14 101.496 2.255 4.270
47 HD1 TYR 14 HD1 TYR 14 102.899 2.583 0.839
48 HD2 TYR 14 HD2 TYR 14 99.479 2.950 3.343
49 HE1 TYR 14 HE1 TYR 14 101.498 2.957 -1.140
50 HE2 TYR 14 HE2 TYR 14 98.066 3.330 1.368
51 HH TYR 14 HH TYR 14 98.522 4.258 -1.070
52 HA PRO 15 HA PRO 15 105.333 3.136 7.434
53 1HB PRO 15 1HB PRO 15 104.407 0.522 8.085
54 2HB PRO 15 2HB PRO 15 104.087 2.026 8.957
55 1HG PRO 15 1HG PRO 15 102.408 0.593 6.978
56 2HG PRO 15 2HG PRO 15 101.921 1.627 8.333
57 1HD PRO 15 1HD PRO 15 101.740 2.475 5.806
58 2HD PRO 15 2HD PRO 15 102.219 3.580 7.110
59 H TYR 16 H TYR 16 106.979 1.381 7.961
60 HA TYR 16 HA TYR 16 108.199 0.552 5.515
61 1HB TYR 16 1HB TYR 16 109.753 1.257 7.072
62 2HB TYR 16 2HB TYR 16 108.917 0.485 8.416
63 HD1 TYR 16 HD1 TYR 16 111.008 -0.214 5.431
64 HD2 TYR 16 HD2 TYR 16 109.547 -1.613 9.164
65 HE1 TYR 16 HE1 TYR 16 112.566 -2.115 5.302
66 HE2 TYR 16 HE2 TYR 16 111.099 -3.524 9.067
67 HH TYR 16 HH TYR 16 112.343 -4.796 7.441
68 H GLU 17 H GLU 17 107.142 -1.261 8.401
69 HA GLU 17 HA GLU 17 107.596 -3.830 7.613
70 1HB GLU 17 1HB GLU 17 105.088 -2.897 9.022
71 2HB GLU 17 2HB GLU 17 105.769 -4.518 9.067
72 1HG GLU 17 1HG GLU 17 106.707 -3.839 10.973
73 2HG GLU 17 2HG GLU 17 107.876 -3.035 9.920
74 H MET 18 H MET 18 104.667 -1.951 6.812
75 HA MET 18 HA MET 18 103.450 -4.013 5.298
76 1HB MET 18 1HB MET 18 103.043 -1.045 5.492
77 2HB MET 18 2HB MET 18 102.175 -1.984 4.287
78 1HG MET 18 1HG MET 18 101.653 -3.465 6.453
79 2HG MET 18 2HG MET 18 101.850 -1.884 7.215
80 1HE MET 18 1HE MET 18 98.832 -0.016 6.627
81 2HE MET 18 2HE MET 18 100.206 0.410 5.606
82 3HE MET 18 3HE MET 18 100.475 -0.149 7.256
83 H LEU 19 H LEU 19 106.006 -1.857 4.620
84 HA LEU 19 HA LEU 19 105.762 -2.202 1.716
85 1HB LEU 19 1HB LEU 19 107.507 -0.444 3.431
86 2HB LEU 19 2HB LEU 19 107.659 -0.543 1.686
87 HG LEU 19 HG LEU 19 105.185 0.374 3.154
88 1HD1 LEU 19 1HD1 LEU 19 107.382 1.923 1.794
89 2HD1 LEU 19 2HD1 LEU 19 106.917 1.993 3.493
90 3HD1 LEU 19 3HD1 LEU 19 105.822 2.608 2.254
91 1HD2 LEU 19 1HD2 LEU 19 104.722 -0.625 0.988
92 2HD2 LEU 19 2HD2 LEU 19 105.920 0.433 0.241
93 3HD2 LEU 19 3HD2 LEU 19 104.459 1.120 0.951
94 H VAL 20 H VAL 20 106.931 -4.054 4.068
95 HA VAL 20 HA VAL 20 109.627 -4.506 3.232
96 HB VAL 20 HB VAL 20 107.873 -6.433 4.761
97 1HG1 VAL 20 1HG1 VAL 20 109.801 -7.593 4.296
98 2HG1 VAL 20 2HG1 VAL 20 110.212 -6.819 5.830
99 3HG1 VAL 20 3HG1 VAL 20 110.800 -6.138 4.313
100 1HG2 VAL 20 1HG2 VAL 20 108.302 -5.347 6.738
101 2HG2 VAL 20 2HG2 VAL 20 108.070 -3.991 5.634
102 3HG2 VAL 20 3HG2 VAL 20 109.698 -4.489 6.090
103 H VAL 21 H VAL 21 110.335 -6.703 2.353
104 HA VAL 21 HA VAL 21 108.570 -7.331 0.100
105 HB VAL 21 HB VAL 21 111.469 -8.051 0.530
106 1HG1 VAL 21 1HG1 VAL 21 109.583 -9.065 -1.307
107 2HG1 VAL 21 2HG1 VAL 21 111.322 -9.349 -1.258
108 3HG1 VAL 21 3HG1 VAL 21 110.675 -8.013 -2.211
109 1HG2 VAL 21 1HG2 VAL 21 111.015 -5.611 0.355
110 2HG2 VAL 21 2HG2 VAL 21 110.314 -5.902 -1.239
111 3HG2 VAL 21 3HG2 VAL 21 112.019 -6.248 -0.948
112 H THR 22 H THR 22 110.884 -9.290 1.994
113 HA THR 22 HA THR 22 109.009 -11.539 1.760
114 HB THR 22 HB THR 22 111.993 -11.455 2.195
115 HG1 THR 22 HG1 THR 22 110.315 -12.305 0.089
116 1HG2 THR 22 1HG2 THR 22 111.008 -13.315 3.493
117 2HG2 THR 22 2HG2 THR 22 112.041 -13.848 2.166
118 3HG2 THR 22 3HG2 THR 22 110.286 -13.924 2.003
119 H ASN 23 H ASN 23 111.471 -10.458 4.042
120 HA ASN 23 HA ASN 23 111.037 -11.791 6.271
121 1HB ASN 23 1HB ASN 23 111.284 -8.782 6.252
122 2HB ASN 23 2HB ASN 23 111.752 -9.868 7.564
123 1HD2 ASN 23 1HD2 ASN 23 112.500 -8.786 4.322
124 2HD2 ASN 23 2HD2 ASN 23 114.124 -9.381 4.294
125 H LYS 24 H LYS 24 108.951 -9.017 5.401
126 HA LYS 24 HA LYS 24 107.140 -9.858 7.562
127 1HB LYS 24 1HB LYS 24 107.953 -7.253 6.509
128 2HB LYS 24 2HB LYS 24 106.216 -7.403 6.760
129 1HG LYS 24 1HG LYS 24 107.354 -6.470 8.711
130 2HG LYS 24 2HG LYS 24 106.582 -8.014 9.077
131 1HD LYS 24 1HD LYS 24 108.759 -7.985 10.094
132 2HD LYS 24 2HD LYS 24 108.780 -9.127 8.749
133 1HE LYS 24 1HE LYS 24 110.529 -8.047 7.908
134 2HE LYS 24 2HE LYS 24 109.509 -6.627 7.683
135 1HZ LYS 24 1HZ LYS 24 111.572 -6.267 9.023
136 2HZ LYS 24 2HZ LYS 24 110.893 -7.234 10.233
137 3HZ LYS 24 3HZ LYS 24 110.139 -5.787 9.786
138 H GLY 25 H GLY 25 107.241 -11.052 4.839
139 1HA GLY 25 1HA GLY 25 104.853 -11.884 4.264
140 2HA GLY 25 2HA GLY 25 104.623 -10.207 3.796
141 H ARG 26 H ARG 26 104.304 -10.485 1.644
142 HA ARG 26 HA ARG 26 106.658 -11.215 0.097
143 1HB ARG 26 1HB ARG 26 104.967 -12.453 -1.498
144 2HB ARG 26 2HB ARG 26 105.721 -13.293 -0.157
145 1HG ARG 26 1HG ARG 26 102.965 -12.081 -0.075
146 2HG ARG 26 2HG ARG 26 103.306 -13.767 -0.433
147 1HD ARG 26 1HD ARG 26 103.553 -12.282 2.149
148 2HD ARG 26 2HD ARG 26 102.782 -13.826 1.810
149 HE ARG 26 HE ARG 26 105.705 -13.606 1.665
150 1HH1 ARG 26 1HH1 ARG 26 102.854 -14.944 3.184
151 2HH1 ARG 26 2HH1 ARG 26 103.741 -16.144 4.059
152 1HH2 ARG 26 1HH2 ARG 26 106.860 -15.181 2.822
153 2HH2 ARG 26 2HH2 ARG 26 106.009 -16.279 3.857
154 H THR 27 H THR 27 103.286 -10.751 -0.933
155 HA THR 27 HA THR 27 104.110 -8.268 -2.236
156 HB THR 27 HB THR 27 102.516 -10.594 -3.170
157 HG1 THR 27 HG1 THR 27 104.544 -10.416 -4.006
158 1HG2 THR 27 1HG2 THR 27 100.855 -9.006 -3.533
159 2HG2 THR 27 2HG2 THR 27 101.676 -9.191 -5.083
160 3HG2 THR 27 3HG2 THR 27 102.010 -7.784 -4.067
161 H LYS 28 H LYS 28 102.877 -8.960 0.396
162 HA LYS 28 HA LYS 28 100.184 -8.111 0.409
163 1HB LYS 28 1HB LYS 28 102.294 -8.430 2.516
164 2HB LYS 28 2HB LYS 28 100.685 -7.841 2.913
165 1HG LYS 28 1HG LYS 28 101.040 -10.292 3.263
166 2HG LYS 28 2HG LYS 28 99.671 -9.871 2.235
167 1HD LYS 28 1HD LYS 28 101.163 -10.261 0.246
168 2HD LYS 28 2HD LYS 28 102.374 -10.889 1.365
169 1HE LYS 28 1HE LYS 28 101.312 -12.831 0.734
170 2HE LYS 28 2HE LYS 28 100.401 -12.404 2.181
171 1HZ LYS 28 1HZ LYS 28 99.415 -11.310 -0.325
172 2HZ LYS 28 2HZ LYS 28 98.561 -11.939 0.993
173 3HZ LYS 28 3HZ LYS 28 99.260 -12.985 -0.137
174 H LEU 29 H LEU 29 102.388 -6.279 -0.737
175 HA LEU 29 HA LEU 29 102.680 -3.988 0.741
176 1HB LEU 29 1HB LEU 29 102.910 -4.863 -2.031
177 2HB LEU 29 2HB LEU 29 102.553 -3.156 -1.872
178 HG LEU 29 HG LEU 29 104.549 -2.689 -0.907
179 1HD1 LEU 29 1HD1 LEU 29 105.923 -4.966 -0.167
180 2HD1 LEU 29 2HD1 LEU 29 104.271 -5.296 0.342
181 3HD1 LEU 29 3HD1 LEU 29 105.100 -3.853 0.924
182 1HD2 LEU 29 1HD2 LEU 29 104.677 -4.595 -3.052
183 2HD2 LEU 29 2HD2 LEU 29 106.143 -4.604 -2.067
184 3HD2 LEU 29 3HD2 LEU 29 105.582 -3.101 -2.797
185 HA PRO 30 HA PRO 30 98.816 -1.854 0.787
186 1HB PRO 30 1HB PRO 30 100.335 0.585 0.063
187 2HB PRO 30 2HB PRO 30 99.333 0.267 1.484
188 1HG PRO 30 1HG PRO 30 102.007 0.364 1.650
189 2HG PRO 30 2HG PRO 30 101.051 -0.763 2.633
190 1HD PRO 30 1HD PRO 30 102.680 -1.290 0.181
191 2HD PRO 30 2HD PRO 30 102.449 -2.296 1.626
192 HA PRO 31 HA PRO 31 97.435 -0.947 -3.325
193 1HB PRO 31 1HB PRO 31 96.660 1.837 -2.838
194 2HB PRO 31 2HB PRO 31 95.637 0.428 -3.147
195 1HG PRO 31 1HG PRO 31 95.752 1.629 -0.730
196 2HG PRO 31 2HG PRO 31 95.483 -0.114 -0.916
197 1HD PRO 31 1HD PRO 31 97.999 1.354 -0.207
198 2HD PRO 31 2HD PRO 31 97.347 -0.155 0.467
199 H GLY 32 H GLY 32 99.112 -0.881 -4.752
200 1HA GLY 32 1HA GLY 32 100.216 0.321 -6.465
201 2HA GLY 32 2HA GLY 32 100.103 1.772 -5.485
202 H VAL 33 H VAL 33 101.263 -1.191 -4.075
203 HA VAL 33 HA VAL 33 104.020 -0.159 -4.175
204 HB VAL 33 HB VAL 33 103.251 -1.754 -1.840
205 1HG1 VAL 33 1HG1 VAL 33 105.130 -0.902 -1.024
206 2HG1 VAL 33 2HG1 VAL 33 104.711 0.735 -1.523
207 3HG1 VAL 33 3HG1 VAL 33 105.451 -0.378 -2.672
208 1HG2 VAL 33 1HG2 VAL 33 102.070 0.879 -2.462
209 2HG2 VAL 33 2HG2 VAL 33 102.690 0.645 -0.828
210 3HG2 VAL 33 3HG2 VAL 33 101.452 -0.435 -1.463
211 H ASP 34 H ASP 34 105.446 -1.440 -4.988
212 HA ASP 34 HA ASP 34 104.985 -4.341 -4.956
213 1HB ASP 34 1HB ASP 34 104.533 -3.125 -7.207
214 2HB ASP 34 2HB ASP 34 106.290 -2.981 -7.299
215 H ARG 35 H ARG 35 106.839 -5.625 -4.849
216 HA ARG 35 HA ARG 35 108.941 -4.642 -3.310
217 1HB ARG 35 1HB ARG 35 109.003 -7.104 -5.056
218 2HB ARG 35 2HB ARG 35 109.998 -6.792 -3.641
219 1HG ARG 35 1HG ARG 35 108.482 -7.938 -2.492
220 2HG ARG 35 2HG ARG 35 107.434 -6.528 -2.672
221 1HD ARG 35 1HD ARG 35 106.398 -8.709 -3.339
222 2HD ARG 35 2HD ARG 35 106.375 -7.464 -4.586
223 HE ARG 35 HE ARG 35 107.767 -8.759 -5.871
224 1HH1 ARG 35 1HH1 ARG 35 107.680 -10.043 -2.626
225 2HH1 ARG 35 2HH1 ARG 35 108.523 -11.496 -3.045
226 1HH2 ARG 35 1HH2 ARG 35 108.878 -10.670 -6.422
227 2HH2 ARG 35 2HH2 ARG 35 109.204 -11.852 -5.199
228 H MET 36 H MET 36 108.462 -4.441 -6.696
229 HA MET 36 HA MET 36 111.035 -4.505 -7.717
230 1HB MET 36 1HB MET 36 108.556 -3.020 -8.507
231 2HB MET 36 2HB MET 36 110.065 -2.723 -9.361
232 1HG MET 36 1HG MET 36 109.019 -5.504 -9.002
233 2HG MET 36 2HG MET 36 108.428 -4.463 -10.301
234 1HE MET 36 1HE MET 36 110.170 -6.159 -12.718
235 2HE MET 36 2HE MET 36 108.938 -6.473 -11.497
236 3HE MET 36 3HE MET 36 110.471 -7.342 -11.444
237 H ARG 37 H ARG 37 109.334 -1.798 -6.182
238 HA ARG 37 HA ARG 37 111.929 -0.494 -5.786
239 1HB ARG 37 1HB ARG 37 110.510 1.715 -6.200
240 2HB ARG 37 2HB ARG 37 111.332 0.882 -7.509
241 1HG ARG 37 1HG ARG 37 108.615 -0.078 -7.009
242 2HG ARG 37 2HG ARG 37 108.709 1.612 -7.503
243 1HD ARG 37 1HD ARG 37 110.187 0.848 -9.400
244 2HD ARG 37 2HD ARG 37 109.748 -0.804 -8.965
245 HE ARG 37 HE ARG 37 107.684 -0.472 -9.907
246 1HH1 ARG 37 1HH1 ARG 37 109.263 2.615 -9.510
247 2HH1 ARG 37 2HH1 ARG 37 108.071 3.482 -10.421
248 1HH2 ARG 37 1HH2 ARG 37 106.117 0.666 -11.104
249 2HH2 ARG 37 2HH2 ARG 37 106.285 2.375 -11.325
250 H LEU 38 H LEU 38 110.387 -1.987 -3.946
251 HA LEU 38 HA LEU 38 108.666 -0.561 -2.340
252 1HB LEU 38 1HB LEU 38 110.343 -2.935 -2.081
253 2HB LEU 38 2HB LEU 38 110.037 -2.123 -0.549
254 HG LEU 38 HG LEU 38 107.912 -3.057 -2.486
255 1HD1 LEU 38 1HD1 LEU 38 108.159 -5.047 -1.527
256 2HD1 LEU 38 2HD1 LEU 38 107.671 -4.319 0.004
257 3HD1 LEU 38 3HD1 LEU 38 109.379 -4.418 -0.420
258 1HD2 LEU 38 1HD2 LEU 38 107.003 -1.230 -1.427
259 2HD2 LEU 38 2HD2 LEU 38 107.854 -1.538 0.081
260 3HD2 LEU 38 3HD2 LEU 38 106.498 -2.563 -0.389
261 H GLU 39 H GLU 39 112.141 -0.303 -2.569
262 HA GLU 39 HA GLU 39 112.426 1.169 -0.136
263 1HB GLU 39 1HB GLU 39 114.705 1.408 -0.662
264 2HB GLU 39 2HB GLU 39 114.253 -0.192 -1.232
265 1HG GLU 39 1HG GLU 39 114.319 2.198 -3.044
266 2HG GLU 39 2HG GLU 39 115.736 1.198 -2.738
267 H ARG 40 H ARG 40 110.697 2.022 -2.627
268 HA ARG 40 HA ARG 40 111.615 4.819 -2.624
269 1HB ARG 40 1HB ARG 40 111.256 3.106 -4.780
270 2HB ARG 40 2HB ARG 40 109.808 4.101 -4.785
271 1HG ARG 40 1HG ARG 40 112.468 5.417 -4.523
272 2HG ARG 40 2HG ARG 40 111.945 4.831 -6.103
273 1HD ARG 40 1HD ARG 40 111.254 7.083 -5.993
274 2HD ARG 40 2HD ARG 40 109.801 6.121 -5.721
275 HE ARG 40 HE ARG 40 109.633 7.070 -3.657
276 1HH1 ARG 40 1HH1 ARG 40 112.933 7.401 -4.745
277 2HH1 ARG 40 2HH1 ARG 40 113.414 8.368 -3.391
278 1HH2 ARG 40 1HH2 ARG 40 110.263 8.340 -1.876
279 2HH2 ARG 40 2HH2 ARG 40 111.899 8.899 -1.760
280 H HIS 41 H HIS 41 109.156 2.595 -1.890
281 HA HIS 41 HA HIS 41 107.018 4.551 -1.810
282 1HB HIS 41 1HB HIS 41 107.263 1.593 -1.482
283 2HB HIS 41 2HB HIS 41 105.880 2.404 -0.769
284 HD1 HIS 41 HD1 HIS 41 104.565 4.023 -2.629
285 HD2 HIS 41 HD2 HIS 41 106.839 0.843 -4.033
286 HE1 HIS 41 HE1 HIS 41 103.743 3.587 -4.964
287 HE2 HIS 41 HE2 HIS 41 105.057 1.590 -5.753
288 H LEU 42 H LEU 42 109.566 3.863 0.128
289 HA LEU 42 HA LEU 42 108.237 3.862 2.676
290 1HB LEU 42 1HB LEU 42 111.123 4.002 1.826
291 2HB LEU 42 2HB LEU 42 110.614 4.042 3.509
292 HG LEU 42 HG LEU 42 109.553 1.796 1.924
293 1HD1 LEU 42 1HD1 LEU 42 111.446 0.724 1.423
294 2HD1 LEU 42 2HD1 LEU 42 112.281 1.301 2.869
295 3HD1 LEU 42 3HD1 LEU 42 112.158 2.339 1.441
296 1HD2 LEU 42 1HD2 LEU 42 109.160 2.124 4.316
297 2HD2 LEU 42 2HD2 LEU 42 110.895 1.990 4.604
298 3HD2 LEU 42 3HD2 LEU 42 109.994 0.610 3.972
299 H SER 43 H SER 43 108.087 5.528 4.092
300 HA SER 43 HA SER 43 108.218 8.182 3.023
301 1HB SER 43 1HB SER 43 107.897 7.841 5.948
302 2HB SER 43 2HB SER 43 106.932 8.784 4.807
303 HG SER 43 HG SER 43 105.572 7.194 5.140
304 H ALA 44 H ALA 44 109.338 9.952 4.257
305 HA ALA 44 HA ALA 44 112.067 9.669 4.195
306 1HB ALA 44 1HB ALA 44 111.158 11.859 4.249
307 2HB ALA 44 2HB ALA 44 112.135 11.692 5.708
308 3HB ALA 44 3HB ALA 44 110.379 11.572 5.805
309 H GLU 45 H GLU 45 109.984 9.425 7.064
310 HA GLU 45 HA GLU 45 112.009 8.871 8.921
311 1HB GLU 45 1HB GLU 45 109.991 7.480 10.004
312 2HB GLU 45 2HB GLU 45 110.081 9.233 10.075
313 1HG GLU 45 1HG GLU 45 108.323 9.515 8.689
314 2HG GLU 45 2HG GLU 45 108.715 8.094 7.724
315 H ASP 46 H ASP 46 109.818 6.591 7.300
316 HA ASP 46 HA ASP 46 110.929 4.226 8.148
317 1HB ASP 46 1HB ASP 46 109.739 4.811 5.429
318 2HB ASP 46 2HB ASP 46 109.969 3.204 6.120
319 H PHE 47 H PHE 47 111.713 5.896 5.074
320 HA PHE 47 HA PHE 47 113.760 4.185 4.294
321 1HB PHE 47 1HB PHE 47 112.572 6.146 3.044
322 2HB PHE 47 2HB PHE 47 113.893 7.117 3.699
323 HD1 PHE 47 HD1 PHE 47 113.175 4.081 1.703
324 HD2 PHE 47 HD2 PHE 47 115.961 7.151 2.659
325 HE1 PHE 47 HE1 PHE 47 114.643 3.329 -0.134
326 HE2 PHE 47 HE2 PHE 47 117.427 6.405 0.828
327 HZ PHE 47 HZ PHE 47 116.758 4.500 -0.575
328 H SER 48 H SER 48 114.116 7.387 5.825
329 HA SER 48 HA SER 48 116.880 7.183 6.243
330 1HB SER 48 1HB SER 48 115.099 9.192 6.489
331 2HB SER 48 2HB SER 48 115.313 8.782 8.191
332 HG SER 48 HG SER 48 117.364 9.441 6.342
333 H ARG 49 H ARG 49 114.322 5.585 7.825
334 HA ARG 49 HA ARG 49 115.805 5.225 10.308
335 1HB ARG 49 1HB ARG 49 113.401 5.630 10.461
336 2HB ARG 49 2HB ARG 49 113.083 4.218 9.464
337 1HG ARG 49 1HG ARG 49 112.681 3.740 11.807
338 2HG ARG 49 2HG ARG 49 114.026 2.776 11.191
339 1HD ARG 49 1HD ARG 49 115.412 3.632 12.705
340 2HD ARG 49 2HD ARG 49 114.987 5.279 12.232
341 HE ARG 49 HE ARG 49 113.558 5.398 14.024
342 1HH1 ARG 49 1HH1 ARG 49 114.526 2.077 13.552
343 2HH1 ARG 49 2HH1 ARG 49 113.839 1.535 15.047
344 1HH2 ARG 49 1HH2 ARG 49 112.656 4.685 15.988
345 2HH2 ARG 49 2HH2 ARG 49 112.779 3.015 16.430
346 H VAL 50 H VAL 50 114.659 3.335 7.543
347 HA VAL 50 HA VAL 50 115.835 0.895 8.575
348 HB VAL 50 HB VAL 50 114.725 1.325 5.805
349 1HG1 VAL 50 1HG1 VAL 50 114.606 -0.977 5.631
350 2HG1 VAL 50 2HG1 VAL 50 114.677 -1.217 7.376
351 3HG1 VAL 50 3HG1 VAL 50 116.124 -0.732 6.493
352 1HG2 VAL 50 1HG2 VAL 50 113.198 1.852 7.901
353 2HG2 VAL 50 2HG2 VAL 50 113.065 0.093 7.934
354 3HG2 VAL 50 3HG2 VAL 50 112.582 0.986 6.491
355 H PHE 51 H PHE 51 116.619 3.386 6.242
356 HA PHE 51 HA PHE 51 118.999 1.868 5.430
357 1HB PHE 51 1HB PHE 51 117.574 4.183 4.116
358 2HB PHE 51 2HB PHE 51 119.091 3.498 3.538
359 HD1 PHE 51 HD1 PHE 51 115.854 3.604 2.727
360 HD2 PHE 51 HD2 PHE 51 118.806 0.693 3.651
361 HE1 PHE 51 HE1 PHE 51 114.607 1.931 1.408
362 HE2 PHE 51 HE2 PHE 51 117.572 -0.981 2.334
363 HZ PHE 51 HZ PHE 51 115.477 -0.358 1.209
364 H ALA 52 H ALA 52 117.969 4.999 6.698
365 HA ALA 52 HA ALA 52 119.130 6.402 8.114
366 1HB ALA 52 1HB ALA 52 121.728 5.104 7.387
367 2HB ALA 52 2HB ALA 52 120.635 4.384 8.568
368 3HB ALA 52 3HB ALA 52 121.301 5.992 8.849
369 H MET 53 H MET 53 119.180 6.189 4.890
370 HA MET 53 HA MET 53 120.665 8.717 4.617
371 1HB MET 53 1HB MET 53 121.514 8.046 2.477
372 2HB MET 53 2HB MET 53 121.973 6.836 3.667
373 1HG MET 53 1HG MET 53 119.468 6.160 2.504
374 2HG MET 53 2HG MET 53 120.642 6.504 1.232
375 1HE MET 53 1HE MET 53 119.140 4.049 1.652
376 2HE MET 53 2HE MET 53 120.229 2.658 1.641
377 3HE MET 53 3HE MET 53 120.397 3.929 0.424
378 H SER 54 H SER 54 120.081 9.803 2.514
379 HA SER 54 HA SER 54 117.285 10.291 2.537
380 1HB SER 54 1HB SER 54 119.598 11.263 0.876
381 2HB SER 54 2HB SER 54 117.937 11.736 0.492
382 HG SER 54 HG SER 54 119.087 13.200 1.918
383 HA PRO 55 HA PRO 55 115.737 7.447 -0.504
384 1HB PRO 55 1HB PRO 55 114.236 9.775 -1.582
385 2HB PRO 55 2HB PRO 55 113.631 8.205 -1.046
386 1HG PRO 55 1HG PRO 55 113.274 10.400 0.436
387 2HG PRO 55 2HG PRO 55 113.604 8.825 1.184
388 1HD PRO 55 1HD PRO 55 115.424 11.161 0.797
389 2HD PRO 55 2HD PRO 55 115.340 10.002 2.143
390 H GLU 56 H GLU 56 117.077 10.553 -1.249
391 HA GLU 56 HA GLU 56 117.542 9.894 -4.040
392 1HB GLU 56 1HB GLU 56 116.964 12.137 -3.856
393 2HB GLU 56 2HB GLU 56 117.839 12.345 -2.343
394 1HG GLU 56 1HG GLU 56 119.866 12.639 -3.397
395 2HG GLU 56 2HG GLU 56 119.343 11.805 -4.865
396 H GLU 57 H GLU 57 119.063 9.411 -1.056
397 HA GLU 57 HA GLU 57 121.770 9.676 -1.939
398 1HB GLU 57 1HB GLU 57 120.411 8.892 0.578
399 2HB GLU 57 2HB GLU 57 121.908 8.030 0.254
400 1HG GLU 57 1HG GLU 57 122.274 10.819 -0.261
401 2HG GLU 57 2HG GLU 57 121.592 10.583 1.347
402 H PHE 58 H PHE 58 119.470 7.027 -1.471
403 HA PHE 58 HA PHE 58 120.951 4.774 -1.974
404 1HB PHE 58 1HB PHE 58 118.277 5.355 -1.857
405 2HB PHE 58 2HB PHE 58 118.451 4.938 -3.560
406 HD1 PHE 58 HD1 PHE 58 119.154 2.670 -4.209
407 HD2 PHE 58 HD2 PHE 58 118.428 3.719 -0.158
408 HE1 PHE 58 HE1 PHE 58 118.999 0.284 -3.620
409 HE2 PHE 58 HE2 PHE 58 118.290 1.343 0.449
410 HZ PHE 58 HZ PHE 58 118.573 -0.384 -1.288
411 H GLY 59 H GLY 59 119.263 6.550 -4.584
412 1HA GLY 59 1HA GLY 59 120.435 5.255 -6.732
413 2HA GLY 59 2HA GLY 59 119.832 6.905 -6.781
414 H LYS 60 H LYS 60 121.775 7.742 -4.694
415 HA LYS 60 HA LYS 60 124.010 8.196 -6.501
416 1HB LYS 60 1HB LYS 60 123.425 9.351 -3.767
417 2HB LYS 60 2HB LYS 60 124.743 9.849 -4.826
418 1HG LYS 60 1HG LYS 60 122.311 9.999 -6.294
419 2HG LYS 60 2HG LYS 60 122.084 10.813 -4.741
420 1HD LYS 60 1HD LYS 60 124.396 11.895 -5.302
421 2HD LYS 60 2HD LYS 60 123.988 11.441 -6.958
422 1HE LYS 60 1HE LYS 60 122.041 12.778 -6.948
423 2HE LYS 60 2HE LYS 60 122.105 12.989 -5.199
424 1HZ LYS 60 1HZ LYS 60 122.856 14.947 -6.499
425 2HZ LYS 60 2HZ LYS 60 124.164 14.036 -7.060
426 3HZ LYS 60 3HZ LYS 60 124.014 14.370 -5.409
427 H LEU 61 H LEU 61 123.257 5.847 -4.326
428 HA LEU 61 HA LEU 61 125.785 5.610 -3.004
429 1HB LEU 61 1HB LEU 61 123.410 3.743 -3.184
430 2HB LEU 61 2HB LEU 61 124.774 3.523 -2.114
431 HG LEU 61 HG LEU 61 122.676 5.647 -1.977
432 1HD1 LEU 61 1HD1 LEU 61 122.078 4.690 0.046
433 2HD1 LEU 61 2HD1 LEU 61 123.593 3.799 0.183
434 3HD1 LEU 61 3HD1 LEU 61 122.383 3.308 -1.005
435 1HD2 LEU 61 1HD2 LEU 61 124.724 6.801 -1.558
436 2HD2 LEU 61 2HD2 LEU 61 125.309 5.494 -0.529
437 3HD2 LEU 61 3HD2 LEU 61 123.955 6.492 -0.001
438 H ALA 62 H ALA 62 125.603 2.614 -3.371
439 HA ALA 62 HA ALA 62 126.720 2.424 -6.081
440 1HB ALA 62 1HB ALA 62 127.820 0.897 -3.738
441 2HB ALA 62 2HB ALA 62 128.457 2.460 -4.244
442 3HB ALA 62 3HB ALA 62 128.519 1.082 -5.345
443 H LEU 63 H LEU 63 127.050 -0.078 -6.576
444 HA LEU 63 HA LEU 63 124.405 -1.197 -6.498
445 1HB LEU 63 1HB LEU 63 126.143 -1.301 -8.403
446 2HB LEU 63 2HB LEU 63 126.843 -2.629 -7.496
447 HG LEU 63 HG LEU 63 123.939 -2.825 -8.000
448 1HD1 LEU 63 1HD1 LEU 63 125.266 -1.936 -10.127
449 2HD1 LEU 63 2HD1 LEU 63 123.966 -3.123 -10.244
450 3HD1 LEU 63 3HD1 LEU 63 125.648 -3.652 -10.269
451 1HD2 LEU 63 1HD2 LEU 63 125.840 -4.970 -8.687
452 2HD2 LEU 63 2HD2 LEU 63 124.327 -5.037 -7.784
453 3HD2 LEU 63 3HD2 LEU 63 125.802 -4.481 -6.993
454 H TRP 64 H TRP 64 127.312 -1.600 -4.687
455 HA TRP 64 HA TRP 64 126.510 -4.150 -3.579
456 1HB TRP 64 1HB TRP 64 128.630 -3.781 -2.240
457 2HB TRP 64 2HB TRP 64 128.861 -3.852 -3.993
458 HD1 TRP 64 HD1 TRP 64 129.844 -1.711 -5.140
459 HE1 TRP 64 HE1 TRP 64 130.600 0.586 -4.274
460 HE3 TRP 64 HE3 TRP 64 127.970 -2.037 -0.519
461 HZ2 TRP 64 HZ2 TRP 64 130.412 2.059 -1.824
462 HZ3 TRP 64 HZ3 TRP 64 128.295 -0.145 1.061
463 HH2 TRP 64 HH2 TRP 64 129.477 1.853 0.407
464 H LYS 65 H LYS 65 126.645 -0.762 -2.882
465 HA LYS 65 HA LYS 65 125.930 -0.954 -0.123
466 1HB LYS 65 1HB LYS 65 127.020 1.032 -1.391
467 2HB LYS 65 2HB LYS 65 125.367 1.444 -1.843
468 1HG LYS 65 1HG LYS 65 124.745 1.891 0.356
469 2HG LYS 65 2HG LYS 65 126.128 1.015 1.022
470 1HD LYS 65 1HD LYS 65 127.598 2.762 -0.050
471 2HD LYS 65 2HD LYS 65 126.124 3.678 -0.388
472 1HE LYS 65 1HE LYS 65 127.239 4.425 1.676
473 2HE LYS 65 2HE LYS 65 125.615 3.790 1.979
474 1HZ LYS 65 1HZ LYS 65 126.436 1.942 3.020
475 2HZ LYS 65 2HZ LYS 65 127.613 3.073 3.463
476 3HZ LYS 65 3HZ LYS 65 127.919 1.982 2.207
477 H ARG 66 H ARG 66 124.085 0.262 -2.929
478 HA ARG 66 HA ARG 66 121.586 0.446 -1.833
479 1HB ARG 66 1HB ARG 66 122.330 -0.535 -4.591
480 2HB ARG 66 2HB ARG 66 120.717 -0.019 -4.121
481 1HG ARG 66 1HG ARG 66 121.381 2.202 -3.849
482 2HG ARG 66 2HG ARG 66 123.090 1.762 -3.810
483 1HD ARG 66 1HD ARG 66 121.952 2.821 -5.963
484 2HD ARG 66 2HD ARG 66 123.252 1.630 -6.073
485 HE ARG 66 HE ARG 66 120.581 0.523 -6.068
486 1HH1 ARG 66 1HH1 ARG 66 123.209 1.737 -8.021
487 2HH1 ARG 66 2HH1 ARG 66 122.706 0.890 -9.444
488 1HH2 ARG 66 1HH2 ARG 66 119.919 -0.588 -7.942
489 2HH2 ARG 66 2HH2 ARG 66 120.838 -0.428 -9.401
490 H ASN 67 H ASN 67 123.185 -2.396 -3.094
491 HA ASN 67 HA ASN 67 121.035 -4.199 -2.849
492 1HB ASN 67 1HB ASN 67 123.947 -4.375 -3.263
493 2HB ASN 67 2HB ASN 67 123.233 -5.790 -2.490
494 1HD2 ASN 67 1HD2 ASN 67 122.978 -3.657 -5.284
495 2HD2 ASN 67 2HD2 ASN 67 122.309 -4.838 -6.354
496 H GLU 68 H GLU 68 123.915 -4.099 -0.745
497 HA GLU 68 HA GLU 68 123.039 -5.663 1.294
498 1HB GLU 68 1HB GLU 68 124.642 -4.564 2.734
499 2HB GLU 68 2HB GLU 68 125.318 -4.736 1.121
500 1HG GLU 68 1HG GLU 68 125.393 -2.516 0.762
501 2HG GLU 68 2HG GLU 68 123.932 -2.197 1.692
502 H LEU 69 H LEU 69 122.188 -2.286 0.736
503 HA LEU 69 HA LEU 69 120.963 -1.835 3.243
504 1HB LEU 69 1HB LEU 69 120.197 -0.560 0.626
505 2HB LEU 69 2HB LEU 69 119.923 0.072 2.237
506 HG LEU 69 HG LEU 69 122.689 -0.442 1.355
507 1HD1 LEU 69 1HD1 LEU 69 122.041 2.269 0.862
508 2HD1 LEU 69 2HD1 LEU 69 120.912 1.254 -0.036
509 3HD1 LEU 69 3HD1 LEU 69 122.648 1.062 -0.267
510 1HD2 LEU 69 1HD2 LEU 69 121.457 1.663 3.117
511 2HD2 LEU 69 2HD2 LEU 69 123.182 1.395 2.861
512 3HD2 LEU 69 3HD2 LEU 69 122.213 0.172 3.682
513 H LYS 70 H LYS 70 119.453 -2.320 0.088
514 HA LYS 70 HA LYS 70 116.854 -2.884 1.016
515 1HB LYS 70 1HB LYS 70 118.382 -3.389 -1.495
516 2HB LYS 70 2HB LYS 70 116.866 -4.248 -1.266
517 1HG LYS 70 1HG LYS 70 115.607 -2.361 -1.454
518 2HG LYS 70 2HG LYS 70 116.877 -1.319 -0.801
519 1HD LYS 70 1HD LYS 70 116.558 -0.842 -3.150
520 2HD LYS 70 2HD LYS 70 118.136 -1.592 -2.907
521 1HE LYS 70 1HE LYS 70 117.560 -3.481 -4.022
522 2HE LYS 70 2HE LYS 70 115.883 -3.414 -3.487
523 1HZ LYS 70 1HZ LYS 70 116.731 -1.324 -5.321
524 2HZ LYS 70 2HZ LYS 70 115.276 -2.182 -5.256
525 3HZ LYS 70 3HZ LYS 70 116.639 -2.884 -5.969
526 H LYS 71 H LYS 71 119.740 -4.738 0.997
527 HA LYS 71 HA LYS 71 118.438 -7.299 1.270
528 1HB LYS 71 1HB LYS 71 121.296 -6.339 1.259
529 2HB LYS 71 2HB LYS 71 120.891 -7.996 1.719
530 1HG LYS 71 1HG LYS 71 119.951 -8.429 -0.427
531 2HG LYS 71 2HG LYS 71 120.071 -6.726 -0.880
532 1HD LYS 71 1HD LYS 71 122.405 -6.822 -1.053
533 2HD LYS 71 2HD LYS 71 122.502 -8.320 -0.127
534 1HE LYS 71 1HE LYS 71 121.222 -9.407 -2.030
535 2HE LYS 71 2HE LYS 71 121.538 -7.936 -2.948
536 1HZ LYS 71 1HZ LYS 71 123.984 -8.510 -2.084
537 2HZ LYS 71 2HZ LYS 71 123.366 -9.070 -3.554
538 3HZ LYS 71 3HZ LYS 71 123.350 -10.074 -2.194
539 H LYS 72 H LYS 72 119.811 -4.851 3.334
540 HA LYS 72 HA LYS 72 119.589 -6.563 5.680
541 1HB LYS 72 1HB LYS 72 121.641 -5.318 5.577
542 2HB LYS 72 2HB LYS 72 120.779 -3.820 5.266
543 1HG LYS 72 1HG LYS 72 119.847 -4.934 7.725
544 2HG LYS 72 2HG LYS 72 121.613 -4.878 7.741
545 1HD LYS 72 1HD LYS 72 121.374 -2.737 8.350
546 2HD LYS 72 2HD LYS 72 120.934 -2.437 6.669
547 1HE LYS 72 1HE LYS 72 119.166 -1.478 7.801
548 2HE LYS 72 2HE LYS 72 118.543 -3.091 7.459
549 1HZ LYS 72 1HZ LYS 72 118.087 -3.060 9.644
550 2HZ LYS 72 2HZ LYS 72 119.244 -1.878 9.997
551 3HZ LYS 72 3HZ LYS 72 119.714 -3.493 9.817
552 H ALA 73 H ALA 73 118.048 -4.017 4.006
553 HA ALA 73 HA ALA 73 116.444 -3.052 6.180
554 1HB ALA 73 1HB ALA 73 116.738 -2.495 3.286
555 2HB ALA 73 2HB ALA 73 116.715 -1.384 4.655
556 3HB ALA 73 3HB ALA 73 115.206 -2.064 4.043
557 H GLU 74 H GLU 74 116.376 -5.928 4.625
558 HA GLU 74 HA GLU 74 114.825 -7.595 4.548
559 1HB GLU 74 1HB GLU 74 112.807 -5.680 5.710
560 2HB GLU 74 2HB GLU 74 112.795 -7.432 5.788
561 1HG GLU 74 1HG GLU 74 114.795 -5.643 7.147
562 2HG GLU 74 2HG GLU 74 113.408 -6.409 7.921
563 H LEU 75 H LEU 75 115.068 -5.231 2.573
564 HA LEU 75 HA LEU 75 112.828 -6.090 0.950
565 1HB LEU 75 1HB LEU 75 112.924 -3.403 0.339
566 2HB LEU 75 2HB LEU 75 111.665 -4.226 1.249
567 HG LEU 75 HG LEU 75 113.613 -3.634 3.126
568 1HD1 LEU 75 1HD1 LEU 75 113.732 -1.091 2.761
569 2HD1 LEU 75 2HD1 LEU 75 113.423 -1.475 1.063
570 3HD1 LEU 75 3HD1 LEU 75 114.854 -2.121 1.870
571 1HD2 LEU 75 1HD2 LEU 75 111.842 -1.667 3.507
572 2HD2 LEU 75 2HD2 LEU 75 111.513 -3.351 3.911
573 3HD2 LEU 75 3HD2 LEU 75 110.923 -2.678 2.390
574 H PHE 76 H PHE 76 114.759 -7.229 0.062
575 HA PHE 76 HA PHE 76 115.900 -5.570 -2.089
576 1HB PHE 76 1HB PHE 76 117.876 -5.960 -1.005
577 2HB PHE 76 2HB PHE 76 117.286 -7.428 -0.226
578 HD1 PHE 76 HD1 PHE 76 118.632 -6.026 -3.362
579 HD2 PHE 76 HD2 PHE 76 117.701 -9.557 -1.178
580 HE1 PHE 76 HE1 PHE 76 119.867 -7.367 -5.013
581 HE2 PHE 76 HE2 PHE 76 118.938 -10.906 -2.824
582 HZ PHE 76 HZ PHE 76 120.022 -9.811 -4.745
Start of MODEL 16
1 HT1 PRO 9 HT1 PRO 9 100.350 13.256 -5.026
2 HT2 PRO 9 HT2 PRO 9 101.938 12.840 -4.919
3 HA PRO 9 HA PRO 9 100.400 13.655 -7.066
4 1HB PRO 9 1HB PRO 9 102.964 14.654 -7.725
5 2HB PRO 9 2HB PRO 9 101.457 15.569 -7.589
6 1HG PRO 9 1HG PRO 9 103.617 15.172 -5.587
7 2HG PRO 9 2HG PRO 9 102.558 16.571 -5.840
8 1HD PRO 9 1HD PRO 9 102.176 14.941 -3.766
9 2HD PRO 9 2HD PRO 9 100.792 15.603 -4.658
10 H GLY 10 H GLY 10 103.747 12.842 -6.105
11 1HA GLY 10 1HA GLY 10 104.290 11.124 -8.247
12 2HA GLY 10 2HA GLY 10 105.106 11.087 -6.692
13 H LEU 11 H LEU 11 104.810 9.421 -5.415
14 HA LEU 11 HA LEU 11 102.659 7.536 -6.094
15 1HB LEU 11 1HB LEU 11 104.205 5.796 -5.146
16 2HB LEU 11 2HB LEU 11 104.667 6.481 -6.690
17 HG LEU 11 HG LEU 11 105.971 8.076 -4.811
18 1HD1 LEU 11 1HD1 LEU 11 106.790 5.351 -4.049
19 2HD1 LEU 11 2HD1 LEU 11 105.272 5.928 -3.361
20 3HD1 LEU 11 3HD1 LEU 11 106.760 6.838 -3.102
21 1HD2 LEU 11 1HD2 LEU 11 106.609 6.916 -7.096
22 2HD2 LEU 11 2HD2 LEU 11 107.369 5.747 -6.015
23 3HD2 LEU 11 3HD2 LEU 11 107.843 7.445 -5.952
24 H GLN 12 H GLN 12 102.015 6.112 -4.284
25 HA GLN 12 HA GLN 12 101.406 7.702 -1.973
26 1HB GLN 12 1HB GLN 12 100.565 5.196 -1.279
27 2HB GLN 12 2HB GLN 12 99.601 6.370 -2.163
28 1HG GLN 12 1HG GLN 12 99.542 4.132 -3.164
29 2HG GLN 12 2HG GLN 12 100.193 5.348 -4.259
30 1HE2 GLN 12 1HE2 GLN 12 101.272 3.851 -5.504
31 2HE2 GLN 12 2HE2 GLN 12 102.681 3.019 -4.952
32 H ILE 13 H ILE 13 101.946 7.254 0.191
33 HA ILE 13 HA ILE 13 104.366 5.617 0.528
34 HB ILE 13 HB ILE 13 103.804 7.995 2.254
35 1HG1 ILE 13 1HG1 ILE 13 103.777 8.696 -0.172
36 2HG1 ILE 13 2HG1 ILE 13 105.045 9.434 0.802
37 1HG2 ILE 13 1HG2 ILE 13 106.159 6.295 1.559
38 2HG2 ILE 13 2HG2 ILE 13 105.510 6.712 3.146
39 3HG2 ILE 13 3HG2 ILE 13 106.385 7.920 2.203
40 1HD1 ILE 13 1HD1 ILE 13 105.939 8.810 -1.330
41 2HD1 ILE 13 2HD1 ILE 13 105.363 7.155 -1.131
42 3HD1 ILE 13 3HD1 ILE 13 106.640 7.777 -0.084
43 H TYR 14 H TYR 14 104.129 3.981 1.903
44 HA TYR 14 HA TYR 14 102.149 4.222 4.073
45 1HB TYR 14 1HB TYR 14 102.795 1.655 2.617
46 2HB TYR 14 2HB TYR 14 101.498 1.937 3.773
47 HD1 TYR 14 HD1 TYR 14 102.414 1.920 0.327
48 HD2 TYR 14 HD2 TYR 14 99.657 3.584 3.105
49 HE1 TYR 14 HE1 TYR 14 100.882 2.440 -1.517
50 HE2 TYR 14 HE2 TYR 14 98.116 4.116 1.268
51 HH TYR 14 HH TYR 14 98.370 4.556 -1.276
52 HA PRO 15 HA PRO 15 104.974 2.887 7.199
53 1HB PRO 15 1HB PRO 15 103.694 0.177 7.188
54 2HB PRO 15 2HB PRO 15 104.109 1.219 8.559
55 1HG PRO 15 1HG PRO 15 101.597 1.058 7.725
56 2HG PRO 15 2HG PRO 15 102.283 2.620 8.212
57 1HD PRO 15 1HD PRO 15 101.696 1.574 5.488
58 2HD PRO 15 2HD PRO 15 101.614 3.240 6.098
59 H TYR 16 H TYR 16 106.700 1.243 7.694
60 HA TYR 16 HA TYR 16 108.021 0.523 5.240
61 1HB TYR 16 1HB TYR 16 109.589 1.325 6.702
62 2HB TYR 16 2HB TYR 16 108.756 0.683 8.117
63 HD1 TYR 16 HD1 TYR 16 111.081 -0.113 5.378
64 HD2 TYR 16 HD2 TYR 16 109.235 -1.510 8.945
65 HE1 TYR 16 HE1 TYR 16 112.664 -1.989 5.448
66 HE2 TYR 16 HE2 TYR 16 110.814 -3.393 9.033
67 HH TYR 16 HH TYR 16 113.232 -3.806 8.107
68 H GLU 17 H GLU 17 107.320 -1.346 8.202
69 HA GLU 17 HA GLU 17 107.923 -3.864 7.356
70 1HB GLU 17 1HB GLU 17 106.110 -4.655 8.923
71 2HB GLU 17 2HB GLU 17 107.281 -3.539 9.613
72 1HG GLU 17 1HG GLU 17 105.069 -2.080 8.521
73 2HG GLU 17 2HG GLU 17 104.489 -3.331 9.625
74 H MET 18 H MET 18 105.239 -1.938 6.298
75 HA MET 18 HA MET 18 103.708 -4.124 5.254
76 1HB MET 18 1HB MET 18 103.362 -1.306 5.645
77 2HB MET 18 2HB MET 18 102.943 -1.712 3.988
78 1HG MET 18 1HG MET 18 101.179 -3.034 4.609
79 2HG MET 18 2HG MET 18 101.866 -3.389 6.196
80 1HE MET 18 1HE MET 18 99.716 -2.365 8.090
81 2HE MET 18 2HE MET 18 99.419 -3.286 6.616
82 3HE MET 18 3HE MET 18 98.490 -1.824 6.943
83 H LEU 19 H LEU 19 106.218 -2.033 4.008
84 HA LEU 19 HA LEU 19 105.748 -3.026 1.277
85 1HB LEU 19 1HB LEU 19 107.957 -1.138 1.698
86 2HB LEU 19 2HB LEU 19 106.694 -1.140 0.485
87 HG LEU 19 HG LEU 19 106.613 0.015 3.253
88 1HD1 LEU 19 1HD1 LEU 19 106.698 2.017 2.255
89 2HD1 LEU 19 2HD1 LEU 19 105.629 1.519 0.942
90 3HD1 LEU 19 3HD1 LEU 19 107.346 1.118 0.883
91 1HD2 LEU 19 1HD2 LEU 19 104.460 -1.220 1.852
92 2HD2 LEU 19 2HD2 LEU 19 104.183 0.519 1.924
93 3HD2 LEU 19 3HD2 LEU 19 104.446 -0.395 3.409
94 H VAL 20 H VAL 20 107.279 -4.245 3.803
95 HA VAL 20 HA VAL 20 109.943 -4.581 3.027
96 HB VAL 20 HB VAL 20 108.276 -6.548 4.603
97 1HG1 VAL 20 1HG1 VAL 20 110.641 -6.731 5.717
98 2HG1 VAL 20 2HG1 VAL 20 111.190 -6.165 4.140
99 3HG1 VAL 20 3HG1 VAL 20 110.260 -7.660 4.265
100 1HG2 VAL 20 1HG2 VAL 20 109.912 -4.233 5.611
101 2HG2 VAL 20 2HG2 VAL 20 108.917 -5.332 6.562
102 3HG2 VAL 20 3HG2 VAL 20 108.160 -4.209 5.435
103 H VAL 21 H VAL 21 110.968 -6.634 2.246
104 HA VAL 21 HA VAL 21 109.549 -7.488 -0.135
105 HB VAL 21 HB VAL 21 112.390 -7.971 0.747
106 1HG1 VAL 21 1HG1 VAL 21 111.125 -8.532 -1.933
107 2HG1 VAL 21 2HG1 VAL 21 111.584 -9.754 -0.749
108 3HG1 VAL 21 3HG1 VAL 21 112.821 -8.753 -1.508
109 1HG2 VAL 21 1HG2 VAL 21 111.831 -5.632 0.265
110 2HG2 VAL 21 2HG2 VAL 21 111.250 -6.106 -1.330
111 3HG2 VAL 21 3HG2 VAL 21 112.953 -6.298 -0.920
112 H THR 22 H THR 22 111.550 -9.368 2.193
113 HA THR 22 HA THR 22 109.804 -11.648 1.575
114 HB THR 22 HB THR 22 112.616 -11.573 2.673
115 HG1 THR 22 HG1 THR 22 111.492 -12.250 0.173
116 1HG2 THR 22 1HG2 THR 22 111.288 -13.505 3.543
117 2HG2 THR 22 2HG2 THR 22 112.693 -13.937 2.570
118 3HG2 THR 22 3HG2 THR 22 111.076 -14.025 1.872
119 H ASN 23 H ASN 23 111.855 -11.126 4.369
120 HA ASN 23 HA ASN 23 110.637 -12.440 6.300
121 1HB ASN 23 1HB ASN 23 111.450 -10.713 7.912
122 2HB ASN 23 2HB ASN 23 112.651 -11.216 6.718
123 1HD2 ASN 23 1HD2 ASN 23 113.071 -9.795 4.924
124 2HD2 ASN 23 2HD2 ASN 23 112.787 -8.103 5.089
125 H LYS 24 H LYS 24 109.593 -9.106 5.480
126 HA LYS 24 HA LYS 24 107.259 -9.554 7.207
127 1HB LYS 24 1HB LYS 24 108.930 -7.233 6.597
128 2HB LYS 24 2HB LYS 24 107.203 -6.886 6.609
129 1HG LYS 24 1HG LYS 24 107.468 -6.614 8.807
130 2HG LYS 24 2HG LYS 24 107.496 -8.377 8.876
131 1HD LYS 24 1HD LYS 24 110.051 -6.991 8.282
132 2HD LYS 24 2HD LYS 24 109.428 -6.874 9.928
133 1HE LYS 24 1HE LYS 24 109.501 -9.546 8.619
134 2HE LYS 24 2HE LYS 24 111.016 -8.849 9.191
135 1HZ LYS 24 1HZ LYS 24 108.634 -9.036 10.934
136 2HZ LYS 24 2HZ LYS 24 110.249 -8.812 11.382
137 3HZ LYS 24 3HZ LYS 24 109.736 -10.313 10.794
138 H GLY 25 H GLY 25 107.429 -10.502 4.375
139 1HA GLY 25 1HA GLY 25 105.323 -10.764 3.159
140 2HA GLY 25 2HA GLY 25 105.027 -9.056 3.433
141 H ARG 26 H ARG 26 105.042 -10.545 0.939
142 HA ARG 26 HA ARG 26 107.308 -9.288 -0.444
143 1HB ARG 26 1HB ARG 26 106.494 -10.939 -2.327
144 2HB ARG 26 2HB ARG 26 107.521 -11.501 -1.019
145 1HG ARG 26 1HG ARG 26 104.521 -11.758 -0.990
146 2HG ARG 26 2HG ARG 26 105.601 -13.000 -1.615
147 1HD ARG 26 1HD ARG 26 106.569 -12.272 0.935
148 2HD ARG 26 2HD ARG 26 104.820 -12.464 1.085
149 HE ARG 26 HE ARG 26 105.937 -14.634 -0.352
150 1HH1 ARG 26 1HH1 ARG 26 105.675 -13.338 2.878
151 2HH1 ARG 26 2HH1 ARG 26 105.814 -14.884 3.645
152 1HH2 ARG 26 1HH2 ARG 26 106.119 -16.669 0.656
153 2HH2 ARG 26 2HH2 ARG 26 106.066 -16.776 2.383
154 H THR 27 H THR 27 104.374 -10.391 -2.044
155 HA THR 27 HA THR 27 103.996 -7.727 -3.119
156 HB THR 27 HB THR 27 103.751 -10.269 -4.141
157 HG1 THR 27 HG1 THR 27 104.034 -8.171 -5.211
158 1HG2 THR 27 1HG2 THR 27 101.586 -10.815 -4.660
159 2HG2 THR 27 2HG2 THR 27 100.975 -9.201 -4.294
160 3HG2 THR 27 3HG2 THR 27 101.442 -10.288 -2.985
161 H LYS 28 H LYS 28 103.214 -9.080 -0.387
162 HA LYS 28 HA LYS 28 100.408 -8.607 -0.204
163 1HB LYS 28 1HB LYS 28 102.522 -9.320 1.823
164 2HB LYS 28 2HB LYS 28 100.817 -9.155 2.222
165 1HG LYS 28 1HG LYS 28 101.399 -11.481 1.887
166 2HG LYS 28 2HG LYS 28 100.268 -10.940 0.646
167 1HD LYS 28 1HD LYS 28 101.972 -10.833 -0.997
168 2HD LYS 28 2HD LYS 28 103.246 -10.963 0.216
169 1HE LYS 28 1HE LYS 28 101.287 -13.110 -0.583
170 2HE LYS 28 2HE LYS 28 103.013 -13.070 -0.940
171 1HZ LYS 28 1HZ LYS 28 103.191 -14.288 0.909
172 2HZ LYS 28 2HZ LYS 28 101.653 -13.868 1.471
173 3HZ LYS 28 3HZ LYS 28 102.963 -12.836 1.747
174 H LEU 29 H LEU 29 102.782 -6.405 -0.428
175 HA LEU 29 HA LEU 29 102.427 -4.711 1.772
176 1HB LEU 29 1HB LEU 29 102.733 -3.231 -0.726
177 2HB LEU 29 2HB LEU 29 103.684 -3.162 0.738
178 HG LEU 29 HG LEU 29 105.083 -3.719 -1.092
179 1HD1 LEU 29 1HD1 LEU 29 104.616 -6.316 0.378
180 2HD1 LEU 29 2HD1 LEU 29 105.394 -4.921 1.123
181 3HD1 LEU 29 3HD1 LEU 29 106.129 -5.696 -0.280
182 1HD2 LEU 29 1HD2 LEU 29 104.465 -4.930 -2.807
183 2HD2 LEU 29 2HD2 LEU 29 102.857 -4.986 -2.085
184 3HD2 LEU 29 3HD2 LEU 29 104.004 -6.293 -1.795
185 HA PRO 30 HA PRO 30 98.631 -2.538 1.387
186 1HB PRO 30 1HB PRO 30 100.079 0.010 0.928
187 2HB PRO 30 2HB PRO 30 98.946 -0.421 2.215
188 1HG PRO 30 1HG PRO 30 101.580 -0.198 2.677
189 2HG PRO 30 2HG PRO 30 100.584 -1.409 3.510
190 1HD PRO 30 1HD PRO 30 102.501 -1.763 1.237
191 2HD PRO 30 2HD PRO 30 102.150 -2.843 2.601
192 HA PRO 31 HA PRO 31 97.753 -1.473 -2.841
193 1HB PRO 31 1HB PRO 31 96.510 1.106 -2.412
194 2HB PRO 31 2HB PRO 31 95.737 -0.455 -2.710
195 1HG PRO 31 1HG PRO 31 95.586 0.884 -0.331
196 2HG PRO 31 2HG PRO 31 95.444 -0.876 -0.482
197 1HD PRO 31 1HD PRO 31 97.803 0.774 0.346
198 2HD PRO 31 2HD PRO 31 97.218 -0.770 1.006
199 H GLY 32 H GLY 32 99.560 -1.067 -4.046
200 1HA GLY 32 1HA GLY 32 100.505 0.574 -5.559
201 2HA GLY 32 2HA GLY 32 100.369 1.762 -4.274
202 H VAL 33 H VAL 33 101.590 -1.471 -3.754
203 HA VAL 33 HA VAL 33 104.359 -0.519 -3.694
204 HB VAL 33 HB VAL 33 104.025 -2.223 -1.459
205 1HG1 VAL 33 1HG1 VAL 33 105.790 -0.526 -1.895
206 2HG1 VAL 33 2HG1 VAL 33 105.079 -0.428 -0.284
207 3HG1 VAL 33 3HG1 VAL 33 104.599 0.724 -1.529
208 1HG2 VAL 33 1HG2 VAL 33 102.022 -0.006 -1.661
209 2HG2 VAL 33 2HG2 VAL 33 102.678 -0.478 -0.099
210 3HG2 VAL 33 3HG2 VAL 33 101.798 -1.651 -1.073
211 H ASP 34 H ASP 34 105.714 -1.871 -4.582
212 HA ASP 34 HA ASP 34 105.087 -4.721 -4.681
213 1HB ASP 34 1HB ASP 34 104.201 -3.537 -6.759
214 2HB ASP 34 2HB ASP 34 105.887 -3.231 -7.182
215 H ARG 35 H ARG 35 106.869 -6.055 -4.979
216 HA ARG 35 HA ARG 35 109.230 -5.360 -3.777
217 1HB ARG 35 1HB ARG 35 109.199 -7.404 -5.975
218 2HB ARG 35 2HB ARG 35 110.100 -7.425 -4.466
219 1HG ARG 35 1HG ARG 35 107.446 -7.372 -3.663
220 2HG ARG 35 2HG ARG 35 107.461 -8.450 -5.063
221 1HD ARG 35 1HD ARG 35 109.581 -8.780 -3.008
222 2HD ARG 35 2HD ARG 35 107.954 -9.327 -2.615
223 HE ARG 35 HE ARG 35 108.486 -10.395 -5.081
224 1HH1 ARG 35 1HH1 ARG 35 109.989 -10.536 -1.933
225 2HH1 ARG 35 2HH1 ARG 35 110.626 -12.128 -2.172
226 1HH2 ARG 35 1HH2 ARG 35 109.323 -12.489 -5.394
227 2HH2 ARG 35 2HH2 ARG 35 110.249 -13.238 -4.136
228 H MET 36 H MET 36 108.281 -4.676 -7.036
229 HA MET 36 HA MET 36 110.720 -4.424 -8.321
230 1HB MET 36 1HB MET 36 108.122 -2.945 -8.614
231 2HB MET 36 2HB MET 36 109.509 -2.546 -9.619
232 1HG MET 36 1HG MET 36 109.436 -5.221 -9.937
233 2HG MET 36 2HG MET 36 107.721 -4.877 -9.691
234 1HE MET 36 1HE MET 36 110.682 -2.884 -11.689
235 2HE MET 36 2HE MET 36 110.356 -3.685 -13.226
236 3HE MET 36 3HE MET 36 110.800 -4.640 -11.811
237 H ARG 37 H ARG 37 109.061 -2.070 -6.249
238 HA ARG 37 HA ARG 37 111.601 -0.757 -5.737
239 1HB ARG 37 1HB ARG 37 110.239 1.502 -6.096
240 2HB ARG 37 2HB ARG 37 111.146 0.743 -7.396
241 1HG ARG 37 1HG ARG 37 108.367 -0.168 -7.126
242 2HG ARG 37 2HG ARG 37 108.566 1.528 -7.575
243 1HD ARG 37 1HD ARG 37 109.846 0.954 -9.496
244 2HD ARG 37 2HD ARG 37 109.983 -0.726 -8.979
245 HE ARG 37 HE ARG 37 107.911 -1.135 -9.865
246 1HH1 ARG 37 1HH1 ARG 37 108.371 2.314 -9.603
247 2HH1 ARG 37 2HH1 ARG 37 106.936 2.699 -10.492
248 1HH2 ARG 37 1HH2 ARG 37 106.024 -0.632 -11.035
249 2HH2 ARG 37 2HH2 ARG 37 105.603 1.027 -11.305
250 H LEU 38 H LEU 38 110.810 -2.024 -3.760
251 HA LEU 38 HA LEU 38 108.682 -0.825 -2.262
252 1HB LEU 38 1HB LEU 38 110.632 -3.038 -1.777
253 2HB LEU 38 2HB LEU 38 109.716 -2.375 -0.428
254 HG LEU 38 HG LEU 38 108.463 -3.489 -2.940
255 1HD1 LEU 38 1HD1 LEU 38 108.554 -5.544 -2.092
256 2HD1 LEU 38 2HD1 LEU 38 107.974 -4.992 -0.524
257 3HD1 LEU 38 3HD1 LEU 38 109.696 -4.930 -0.899
258 1HD2 LEU 38 1HD2 LEU 38 106.489 -2.853 -2.141
259 2HD2 LEU 38 2HD2 LEU 38 107.417 -1.748 -1.130
260 3HD2 LEU 38 3HD2 LEU 38 106.899 -3.307 -0.488
261 H GLU 39 H GLU 39 112.137 -0.440 -2.439
262 HA GLU 39 HA GLU 39 112.310 1.045 0.015
263 1HB GLU 39 1HB GLU 39 114.618 1.270 -0.408
264 2HB GLU 39 2HB GLU 39 114.190 -0.349 -0.940
265 1HG GLU 39 1HG GLU 39 114.333 1.962 -2.845
266 2HG GLU 39 2HG GLU 39 115.748 1.007 -2.416
267 H ARG 40 H ARG 40 110.664 1.830 -2.521
268 HA ARG 40 HA ARG 40 111.610 4.616 -2.625
269 1HB ARG 40 1HB ARG 40 111.256 2.819 -4.726
270 2HB ARG 40 2HB ARG 40 109.829 3.843 -4.786
271 1HG ARG 40 1HG ARG 40 112.044 5.546 -4.406
272 2HG ARG 40 2HG ARG 40 112.483 4.396 -5.670
273 1HD ARG 40 1HD ARG 40 110.852 5.132 -7.098
274 2HD ARG 40 2HD ARG 40 109.792 5.658 -5.790
275 HE ARG 40 HE ARG 40 111.710 7.237 -7.169
276 1HH1 ARG 40 1HH1 ARG 40 110.257 6.759 -4.032
277 2HH1 ARG 40 2HH1 ARG 40 110.519 8.394 -3.524
278 1HH2 ARG 40 1HH2 ARG 40 112.059 9.386 -6.499
279 2HH2 ARG 40 2HH2 ARG 40 111.546 9.885 -4.922
280 H HIS 41 H HIS 41 109.166 2.455 -1.773
281 HA HIS 41 HA HIS 41 107.004 4.378 -1.865
282 1HB HIS 41 1HB HIS 41 107.235 1.473 -1.106
283 2HB HIS 41 2HB HIS 41 105.766 2.394 -0.833
284 HD1 HIS 41 HD1 HIS 41 104.992 3.719 -3.217
285 HD2 HIS 41 HD2 HIS 41 107.154 0.180 -3.466
286 HE1 HIS 41 HE1 HIS 41 104.570 2.834 -5.530
287 HE2 HIS 41 HE2 HIS 41 105.814 0.648 -5.628
288 H LEU 42 H LEU 42 109.523 3.775 0.196
289 HA LEU 42 HA LEU 42 108.105 4.074 2.682
290 1HB LEU 42 1HB LEU 42 111.037 4.058 1.979
291 2HB LEU 42 2HB LEU 42 110.416 4.170 3.620
292 HG LEU 42 HG LEU 42 109.311 1.903 2.163
293 1HD1 LEU 42 1HD1 LEU 42 111.956 2.377 1.559
294 2HD1 LEU 42 2HD1 LEU 42 111.110 0.832 1.441
295 3HD1 LEU 42 3HD1 LEU 42 112.029 1.225 2.898
296 1HD2 LEU 42 1HD2 LEU 42 110.917 2.017 4.691
297 2HD2 LEU 42 2HD2 LEU 42 109.759 0.780 4.195
298 3HD2 LEU 42 3HD2 LEU 42 109.200 2.402 4.603
299 H SER 43 H SER 43 107.976 5.889 3.906
300 HA SER 43 HA SER 43 108.222 8.403 2.578
301 1HB SER 43 1HB SER 43 106.463 8.424 4.090
302 2HB SER 43 2HB SER 43 107.362 7.514 5.308
303 HG SER 43 HG SER 43 107.747 10.230 4.574
304 H ALA 44 H ALA 44 109.440 10.250 3.464
305 HA ALA 44 HA ALA 44 112.151 9.837 3.503
306 1HB ALA 44 1HB ALA 44 110.495 12.065 4.649
307 2HB ALA 44 2HB ALA 44 111.437 12.044 3.158
308 3HB ALA 44 3HB ALA 44 112.257 12.089 4.719
309 H GLU 45 H GLU 45 109.892 9.583 6.131
310 HA GLU 45 HA GLU 45 111.907 9.442 8.179
311 1HB GLU 45 1HB GLU 45 109.755 8.277 9.348
312 2HB GLU 45 2HB GLU 45 110.017 10.013 9.295
313 1HG GLU 45 1HG GLU 45 108.449 10.320 7.607
314 2HG GLU 45 2HG GLU 45 108.481 8.624 7.134
315 H ASP 46 H ASP 46 109.563 7.044 6.967
316 HA ASP 46 HA ASP 46 110.617 4.771 8.062
317 1HB ASP 46 1HB ASP 46 109.433 5.042 5.290
318 2HB ASP 46 2HB ASP 46 109.597 3.535 6.194
319 H PHE 47 H PHE 47 111.558 6.267 4.968
320 HA PHE 47 HA PHE 47 113.490 4.366 4.263
321 1HB PHE 47 1HB PHE 47 112.406 6.280 2.885
322 2HB PHE 47 2HB PHE 47 113.708 7.273 3.544
323 HD1 PHE 47 HD1 PHE 47 113.107 4.084 1.750
324 HD2 PHE 47 HD2 PHE 47 115.735 7.339 2.484
325 HE1 PHE 47 HE1 PHE 47 114.631 3.249 -0.010
326 HE2 PHE 47 HE2 PHE 47 117.262 6.521 0.733
327 HZ PHE 47 HZ PHE 47 116.706 4.478 -0.520
328 H SER 48 H SER 48 113.811 7.512 5.885
329 HA SER 48 HA SER 48 116.598 7.336 6.275
330 1HB SER 48 1HB SER 48 115.201 9.439 6.351
331 2HB SER 48 2HB SER 48 114.669 8.941 7.958
332 HG SER 48 HG SER 48 117.018 8.826 8.429
333 H ARG 49 H ARG 49 114.068 5.673 7.808
334 HA ARG 49 HA ARG 49 115.525 5.348 10.317
335 1HB ARG 49 1HB ARG 49 112.900 4.103 9.485
336 2HB ARG 49 2HB ARG 49 113.582 4.130 11.104
337 1HG ARG 49 1HG ARG 49 113.419 6.806 10.203
338 2HG ARG 49 2HG ARG 49 111.880 6.021 9.850
339 1HD ARG 49 1HD ARG 49 112.816 5.291 12.476
340 2HD ARG 49 2HD ARG 49 112.742 7.047 12.305
341 HE ARG 49 HE ARG 49 110.386 5.716 11.353
342 1HH1 ARG 49 1HH1 ARG 49 111.983 6.993 14.182
343 2HH1 ARG 49 2HH1 ARG 49 110.509 7.237 15.057
344 1HH2 ARG 49 1HH2 ARG 49 108.447 6.035 12.504
345 2HH2 ARG 49 2HH2 ARG 49 108.501 6.693 14.106
346 H VAL 50 H VAL 50 114.419 3.442 7.559
347 HA VAL 50 HA VAL 50 115.646 1.025 8.549
348 HB VAL 50 HB VAL 50 114.646 1.434 5.741
349 1HG1 VAL 50 1HG1 VAL 50 114.474 -0.873 5.639
350 2HG1 VAL 50 2HG1 VAL 50 114.457 -1.052 7.392
351 3HG1 VAL 50 3HG1 VAL 50 115.956 -0.630 6.564
352 1HG2 VAL 50 1HG2 VAL 50 113.026 2.050 7.757
353 2HG2 VAL 50 2HG2 VAL 50 112.835 0.298 7.794
354 3HG2 VAL 50 3HG2 VAL 50 112.462 1.193 6.321
355 H PHE 51 H PHE 51 116.421 3.512 6.173
356 HA PHE 51 HA PHE 51 118.897 2.062 5.529
357 1HB PHE 51 1HB PHE 51 117.517 4.287 4.020
358 2HB PHE 51 2HB PHE 51 119.017 3.501 3.528
359 HD1 PHE 51 HD1 PHE 51 115.650 3.622 2.905
360 HD2 PHE 51 HD2 PHE 51 118.757 0.798 3.544
361 HE1 PHE 51 HE1 PHE 51 114.363 1.936 1.649
362 HE2 PHE 51 HE2 PHE 51 117.482 -0.894 2.286
363 HZ PHE 51 HZ PHE 51 115.290 -0.319 1.335
364 H ALA 52 H ALA 52 117.664 5.159 6.674
365 HA ALA 52 HA ALA 52 118.708 6.789 7.914
366 1HB ALA 52 1HB ALA 52 121.329 5.373 7.618
367 2HB ALA 52 2HB ALA 52 120.106 4.815 8.760
368 3HB ALA 52 3HB ALA 52 120.787 6.435 8.917
369 H MET 53 H MET 53 118.817 6.348 4.857
370 HA MET 53 HA MET 53 120.581 8.630 4.298
371 1HB MET 53 1HB MET 53 120.696 7.220 1.975
372 2HB MET 53 2HB MET 53 121.936 7.211 3.225
373 1HG MET 53 1HG MET 53 121.403 5.125 3.943
374 2HG MET 53 2HG MET 53 119.701 5.288 3.503
375 1HE MET 53 1HE MET 53 118.951 5.558 1.068
376 2HE MET 53 2HE MET 53 119.752 4.810 -0.314
377 3HE MET 53 3HE MET 53 120.316 6.362 0.291
378 H SER 54 H SER 54 120.052 9.730 2.290
379 HA SER 54 HA SER 54 117.280 10.320 2.199
380 1HB SER 54 1HB SER 54 119.671 11.198 0.592
381 2HB SER 54 2HB SER 54 118.038 11.759 0.206
382 HG SER 54 HG SER 54 117.973 12.391 2.521
383 HA PRO 55 HA PRO 55 115.689 7.430 -0.774
384 1HB PRO 55 1HB PRO 55 114.302 9.836 -1.866
385 2HB PRO 55 2HB PRO 55 113.634 8.261 -1.422
386 1HG PRO 55 1HG PRO 55 113.285 10.392 0.149
387 2HG PRO 55 2HG PRO 55 113.558 8.777 0.834
388 1HD PRO 55 1HD PRO 55 115.416 11.097 0.653
389 2HD PRO 55 2HD PRO 55 115.306 9.827 1.891
390 H GLU 56 H GLU 56 117.049 10.528 -1.634
391 HA GLU 56 HA GLU 56 117.481 9.837 -4.399
392 1HB GLU 56 1HB GLU 56 118.504 11.985 -4.607
393 2HB GLU 56 2HB GLU 56 117.105 12.185 -3.556
394 1HG GLU 56 1HG GLU 56 118.966 11.749 -1.694
395 2HG GLU 56 2HG GLU 56 119.984 12.448 -2.956
396 H GLU 57 H GLU 57 119.241 9.820 -1.379
397 HA GLU 57 HA GLU 57 121.840 9.504 -2.293
398 1HB GLU 57 1HB GLU 57 120.413 8.776 0.234
399 2HB GLU 57 2HB GLU 57 121.939 7.963 -0.086
400 1HG GLU 57 1HG GLU 57 121.649 10.943 -0.197
401 2HG GLU 57 2HG GLU 57 122.042 10.072 1.285
402 H PHE 58 H PHE 58 119.450 6.946 -1.552
403 HA PHE 58 HA PHE 58 120.845 4.666 -2.151
404 1HB PHE 58 1HB PHE 58 118.235 5.233 -1.659
405 2HB PHE 58 2HB PHE 58 118.138 4.826 -3.370
406 HD1 PHE 58 HD1 PHE 58 118.367 3.565 -0.025
407 HD2 PHE 58 HD2 PHE 58 118.991 2.564 -4.114
408 HE1 PHE 58 HE1 PHE 58 118.297 1.182 0.558
409 HE2 PHE 58 HE2 PHE 58 118.917 0.173 -3.537
410 HZ PHE 58 HZ PHE 58 118.571 -0.523 -1.201
411 H GLY 59 H GLY 59 118.849 6.370 -4.584
412 1HA GLY 59 1HA GLY 59 119.701 4.960 -6.810
413 2HA GLY 59 2HA GLY 59 119.122 6.618 -6.851
414 H LYS 60 H LYS 60 121.409 7.396 -5.027
415 HA LYS 60 HA LYS 60 123.375 7.690 -7.174
416 1HB LYS 60 1HB LYS 60 122.522 9.326 -4.890
417 2HB LYS 60 2HB LYS 60 124.267 9.280 -5.125
418 1HG LYS 60 1HG LYS 60 123.990 10.900 -6.613
419 2HG LYS 60 2HG LYS 60 123.271 9.681 -7.673
420 1HD LYS 60 1HD LYS 60 121.452 10.983 -7.656
421 2HD LYS 60 2HD LYS 60 121.179 10.360 -6.027
422 1HE LYS 60 1HE LYS 60 123.057 12.609 -6.174
423 2HE LYS 60 2HE LYS 60 121.412 12.997 -6.677
424 1HZ LYS 60 1HZ LYS 60 121.053 13.267 -4.504
425 2HZ LYS 60 2HZ LYS 60 122.437 12.409 -4.049
426 3HZ LYS 60 3HZ LYS 60 121.012 11.577 -4.422
427 H LEU 61 H LEU 61 122.888 5.566 -4.727
428 HA LEU 61 HA LEU 61 125.521 5.475 -3.627
429 1HB LEU 61 1HB LEU 61 123.152 3.605 -3.464
430 2HB LEU 61 2HB LEU 61 124.625 3.402 -2.543
431 HG LEU 61 HG LEU 61 122.540 5.513 -2.248
432 1HD1 LEU 61 1HD1 LEU 61 123.219 4.657 0.210
433 2HD1 LEU 61 2HD1 LEU 61 123.532 3.208 -0.744
434 3HD1 LEU 61 3HD1 LEU 61 121.935 3.952 -0.771
435 1HD2 LEU 61 1HD2 LEU 61 124.261 6.306 -0.411
436 2HD2 LEU 61 2HD2 LEU 61 124.322 6.934 -2.058
437 3HD2 LEU 61 3HD2 LEU 61 125.427 5.653 -1.561
438 H ALA 62 H ALA 62 125.436 2.467 -3.741
439 HA ALA 62 HA ALA 62 126.335 2.087 -6.510
440 1HB ALA 62 1HB ALA 62 127.677 0.814 -4.144
441 2HB ALA 62 2HB ALA 62 128.207 2.344 -4.840
442 3HB ALA 62 3HB ALA 62 128.239 0.874 -5.813
443 H LEU 63 H LEU 63 126.634 -0.339 -6.980
444 HA LEU 63 HA LEU 63 124.115 -1.597 -6.636
445 1HB LEU 63 1HB LEU 63 125.769 -1.812 -8.568
446 2HB LEU 63 2HB LEU 63 126.629 -2.958 -7.557
447 HG LEU 63 HG LEU 63 123.842 -3.658 -7.663
448 1HD1 LEU 63 1HD1 LEU 63 125.208 -3.144 -10.282
449 2HD1 LEU 63 2HD1 LEU 63 123.591 -2.665 -9.763
450 3HD1 LEU 63 3HD1 LEU 63 123.941 -4.359 -10.113
451 1HD2 LEU 63 1HD2 LEU 63 126.142 -4.942 -7.277
452 2HD2 LEU 63 2HD2 LEU 63 125.928 -5.278 -8.996
453 3HD2 LEU 63 3HD2 LEU 63 124.683 -5.755 -7.841
454 H TRP 64 H TRP 64 127.138 -1.815 -4.922
455 HA TRP 64 HA TRP 64 126.405 -4.237 -3.536
456 1HB TRP 64 1HB TRP 64 128.560 -3.721 -2.313
457 2HB TRP 64 2HB TRP 64 128.731 -3.944 -4.060
458 HD1 TRP 64 HD1 TRP 64 129.646 -1.909 -5.423
459 HE1 TRP 64 HE1 TRP 64 130.408 0.461 -4.791
460 HE3 TRP 64 HE3 TRP 64 127.922 -1.833 -0.736
461 HZ2 TRP 64 HZ2 TRP 64 130.281 2.149 -2.476
462 HZ3 TRP 64 HZ3 TRP 64 128.276 0.195 0.660
463 HH2 TRP 64 HH2 TRP 64 129.416 2.136 -0.208
464 H LYS 65 H LYS 65 126.486 -0.799 -3.149
465 HA LYS 65 HA LYS 65 125.887 -0.747 -0.356
466 1HB LYS 65 1HB LYS 65 126.786 1.136 -2.005
467 2HB LYS 65 2HB LYS 65 125.066 1.495 -2.141
468 1HG LYS 65 1HG LYS 65 124.879 2.017 0.135
469 2HG LYS 65 2HG LYS 65 126.432 1.264 0.519
470 1HD LYS 65 1HD LYS 65 127.534 3.006 -0.887
471 2HD LYS 65 2HD LYS 65 125.963 3.801 -1.040
472 1HE LYS 65 1HE LYS 65 125.877 4.319 1.245
473 2HE LYS 65 2HE LYS 65 127.149 3.155 1.643
474 1HZ LYS 65 1HZ LYS 65 127.575 5.766 1.405
475 2HZ LYS 65 2HZ LYS 65 127.895 5.289 -0.185
476 3HZ LYS 65 3HZ LYS 65 128.765 4.604 1.093
477 H ARG 66 H ARG 66 123.899 0.085 -3.201
478 HA ARG 66 HA ARG 66 121.432 0.304 -2.033
479 1HB ARG 66 1HB ARG 66 122.133 -0.929 -4.697
480 2HB ARG 66 2HB ARG 66 120.505 -0.467 -4.220
481 1HG ARG 66 1HG ARG 66 121.259 1.849 -3.954
482 2HG ARG 66 2HG ARG 66 122.866 1.363 -4.496
483 1HD ARG 66 1HD ARG 66 120.585 0.648 -6.241
484 2HD ARG 66 2HD ARG 66 121.013 2.363 -6.139
485 HE ARG 66 HE ARG 66 123.390 1.210 -6.608
486 1HH1 ARG 66 1HH1 ARG 66 120.290 0.857 -8.170
487 2HH1 ARG 66 2HH1 ARG 66 120.972 0.478 -9.715
488 1HH2 ARG 66 1HH2 ARG 66 124.288 0.713 -8.641
489 2HH2 ARG 66 2HH2 ARG 66 123.242 0.395 -9.982
490 H ASN 67 H ASN 67 123.080 -2.608 -3.085
491 HA ASN 67 HA ASN 67 121.025 -4.448 -2.527
492 1HB ASN 67 1HB ASN 67 123.921 -4.564 -3.043
493 2HB ASN 67 2HB ASN 67 123.310 -5.891 -2.053
494 1HD2 ASN 67 1HD2 ASN 67 122.791 -4.158 -5.081
495 2HD2 ASN 67 2HD2 ASN 67 122.150 -5.506 -5.951
496 H GLU 68 H GLU 68 123.970 -3.985 -0.582
497 HA GLU 68 HA GLU 68 123.320 -5.311 1.677
498 1HB GLU 68 1HB GLU 68 124.872 -2.772 1.289
499 2HB GLU 68 2HB GLU 68 124.673 -3.469 2.891
500 1HG GLU 68 1HG GLU 68 125.552 -5.638 1.752
501 2HG GLU 68 2HG GLU 68 126.175 -4.518 0.541
502 H LEU 69 H LEU 69 122.249 -2.041 0.836
503 HA LEU 69 HA LEU 69 121.024 -1.456 3.305
504 1HB LEU 69 1HB LEU 69 120.112 -0.461 0.618
505 2HB LEU 69 2HB LEU 69 119.885 0.306 2.177
506 HG LEU 69 HG LEU 69 122.639 -0.178 1.264
507 1HD1 LEU 69 1HD1 LEU 69 122.609 1.231 -0.453
508 2HD1 LEU 69 2HD1 LEU 69 121.647 2.404 0.439
509 3HD1 LEU 69 3HD1 LEU 69 120.855 1.082 -0.408
510 1HD2 LEU 69 1HD2 LEU 69 122.788 0.821 3.284
511 2HD2 LEU 69 2HD2 LEU 69 121.200 1.575 3.140
512 3HD2 LEU 69 3HD2 LEU 69 122.589 2.285 2.319
513 H LYS 70 H LYS 70 119.486 -2.327 0.243
514 HA LYS 70 HA LYS 70 116.939 -2.938 1.269
515 1HB LYS 70 1HB LYS 70 118.468 -3.688 -1.188
516 2HB LYS 70 2HB LYS 70 116.976 -4.544 -0.831
517 1HG LYS 70 1HG LYS 70 115.680 -2.777 -1.341
518 2HG LYS 70 2HG LYS 70 116.822 -1.612 -0.662
519 1HD LYS 70 1HD LYS 70 116.950 -1.130 -2.914
520 2HD LYS 70 2HD LYS 70 118.282 -2.271 -2.723
521 1HE LYS 70 1HE LYS 70 116.672 -4.086 -3.401
522 2HE LYS 70 2HE LYS 70 115.531 -2.810 -3.821
523 1HZ LYS 70 1HZ LYS 70 118.262 -2.977 -4.962
524 2HZ LYS 70 2HZ LYS 70 116.983 -2.000 -5.483
525 3HZ LYS 70 3HZ LYS 70 116.908 -3.677 -5.699
526 H LYS 71 H LYS 71 119.928 -4.627 1.374
527 HA LYS 71 HA LYS 71 118.800 -7.207 1.978
528 1HB LYS 71 1HB LYS 71 121.597 -6.077 1.846
529 2HB LYS 71 2HB LYS 71 121.286 -7.707 2.448
530 1HG LYS 71 1HG LYS 71 120.388 -8.381 0.344
531 2HG LYS 71 2HG LYS 71 120.410 -6.719 -0.254
532 1HD LYS 71 1HD LYS 71 122.775 -6.681 -0.334
533 2HD LYS 71 2HD LYS 71 122.906 -8.158 0.622
534 1HE LYS 71 1HE LYS 71 121.592 -8.095 -2.078
535 2HE LYS 71 2HE LYS 71 123.323 -8.359 -1.879
536 1HZ LYS 71 1HZ LYS 71 121.855 -10.401 -2.032
537 2HZ LYS 71 2HZ LYS 71 121.320 -10.021 -0.472
538 3HZ LYS 71 3HZ LYS 71 122.956 -10.355 -0.747
539 H LYS 72 H LYS 72 120.086 -4.464 3.722
540 HA LYS 72 HA LYS 72 119.997 -5.900 6.254
541 1HB LYS 72 1HB LYS 72 121.954 -4.536 5.963
542 2HB LYS 72 2HB LYS 72 120.981 -3.146 5.506
543 1HG LYS 72 1HG LYS 72 120.202 -4.090 8.108
544 2HG LYS 72 2HG LYS 72 121.944 -3.799 8.048
545 1HD LYS 72 1HD LYS 72 121.465 -1.644 8.392
546 2HD LYS 72 2HD LYS 72 120.867 -1.614 6.732
547 1HE LYS 72 1HE LYS 72 119.164 -0.704 8.138
548 2HE LYS 72 2HE LYS 72 118.630 -2.299 7.608
549 1HZ LYS 72 1HZ LYS 72 119.231 -3.215 9.719
550 2HZ LYS 72 2HZ LYS 72 118.245 -1.869 9.991
551 3HZ LYS 72 3HZ LYS 72 119.915 -1.754 10.227
552 H ALA 73 H ALA 73 118.267 -3.659 4.341
553 HA ALA 73 HA ALA 73 116.611 -2.591 6.428
554 1HB ALA 73 1HB ALA 73 116.884 -2.296 3.501
555 2HB ALA 73 2HB ALA 73 116.703 -1.063 4.749
556 3HB ALA 73 3HB ALA 73 115.293 -1.960 4.181
557 H GLU 74 H GLU 74 116.786 -5.590 5.148
558 HA GLU 74 HA GLU 74 115.418 -7.392 5.222
559 1HB GLU 74 1HB GLU 74 114.126 -5.493 6.966
560 2HB GLU 74 2HB GLU 74 112.923 -6.444 6.108
561 1HG GLU 74 1HG GLU 74 113.281 -7.705 7.991
562 2HG GLU 74 2HG GLU 74 114.377 -8.463 6.836
563 H LEU 75 H LEU 75 115.266 -5.025 3.136
564 HA LEU 75 HA LEU 75 113.114 -6.301 1.638
565 1HB LEU 75 1HB LEU 75 113.032 -3.716 0.692
566 2HB LEU 75 2HB LEU 75 111.837 -4.502 1.718
567 HG LEU 75 HG LEU 75 113.701 -3.545 3.500
568 1HD1 LEU 75 1HD1 LEU 75 114.910 -2.204 2.000
569 2HD1 LEU 75 2HD1 LEU 75 113.801 -1.098 2.814
570 3HD1 LEU 75 3HD1 LEU 75 113.444 -1.664 1.178
571 1HD2 LEU 75 1HD2 LEU 75 111.877 -1.641 3.654
572 2HD2 LEU 75 2HD2 LEU 75 111.511 -3.301 4.123
573 3HD2 LEU 75 3HD2 LEU 75 111.015 -2.704 2.540
574 H PHE 76 H PHE 76 115.079 -7.433 0.854
575 HA PHE 76 HA PHE 76 116.063 -6.006 -1.529
576 1HB PHE 76 1HB PHE 76 118.072 -6.112 -0.398
577 2HB PHE 76 2HB PHE 76 117.635 -7.587 0.469
578 HD1 PHE 76 HD1 PHE 76 118.704 -6.245 -2.809
579 HD2 PHE 76 HD2 PHE 76 118.286 -9.698 -0.355
580 HE1 PHE 76 HE1 PHE 76 120.004 -7.553 -4.437
581 HE2 PHE 76 HE2 PHE 76 119.589 -11.013 -1.978
582 HZ PHE 76 HZ PHE 76 120.449 -9.941 -4.023
Start of MODEL 17
1 HT1 PRO 9 HT1 PRO 9 101.752 14.331 -6.086
2 HT2 PRO 9 HT2 PRO 9 103.384 14.392 -6.294
3 HA PRO 9 HA PRO 9 101.337 13.750 -8.042
4 1HB PRO 9 1HB PRO 9 103.302 14.880 -9.743
5 2HB PRO 9 2HB PRO 9 101.615 15.379 -9.564
6 1HG PRO 9 1HG PRO 9 104.058 16.471 -8.274
7 2HG PRO 9 2HG PRO 9 102.564 17.300 -8.744
8 1HD PRO 9 1HD PRO 9 103.076 16.779 -6.181
9 2HD PRO 9 2HD PRO 9 101.432 16.612 -6.823
10 H GLY 10 H GLY 10 103.026 12.378 -6.276
11 1HA GLY 10 1HA GLY 10 104.943 11.096 -8.124
12 2HA GLY 10 2HA GLY 10 105.179 11.189 -6.387
13 H LEU 11 H LEU 11 104.970 9.303 -5.489
14 HA LEU 11 HA LEU 11 102.861 7.500 -6.464
15 1HB LEU 11 1HB LEU 11 104.490 5.778 -5.257
16 2HB LEU 11 2HB LEU 11 104.635 6.195 -6.953
17 HG LEU 11 HG LEU 11 106.271 8.056 -5.889
18 1HD1 LEU 11 1HD1 LEU 11 105.715 6.798 -3.631
19 2HD1 LEU 11 2HD1 LEU 11 107.324 7.443 -3.964
20 3HD1 LEU 11 3HD1 LEU 11 106.995 5.726 -4.201
21 1HD2 LEU 11 1HD2 LEU 11 107.997 6.844 -6.815
22 2HD2 LEU 11 2HD2 LEU 11 106.592 6.150 -7.627
23 3HD2 LEU 11 3HD2 LEU 11 107.340 5.298 -6.275
24 H GLN 12 H GLN 12 102.088 5.940 -4.793
25 HA GLN 12 HA GLN 12 101.345 7.401 -2.437
26 1HB GLN 12 1HB GLN 12 100.423 4.870 -1.960
27 2HB GLN 12 2HB GLN 12 99.536 6.122 -2.811
28 1HG GLN 12 1HG GLN 12 101.344 4.275 -4.309
29 2HG GLN 12 2HG GLN 12 99.730 3.756 -3.828
30 1HE2 GLN 12 1HE2 GLN 12 101.333 4.805 -6.368
31 2HE2 GLN 12 2HE2 GLN 12 100.120 5.732 -7.177
32 H ILE 13 H ILE 13 102.325 7.431 -0.561
33 HA ILE 13 HA ILE 13 104.508 5.556 -0.051
34 HB ILE 13 HB ILE 13 103.841 7.904 1.689
35 1HG1 ILE 13 1HG1 ILE 13 103.963 8.611 -0.737
36 2HG1 ILE 13 2HG1 ILE 13 105.143 9.367 0.329
37 1HG2 ILE 13 1HG2 ILE 13 106.379 7.865 1.885
38 2HG2 ILE 13 2HG2 ILE 13 106.299 6.294 1.092
39 3HG2 ILE 13 3HG2 ILE 13 105.494 6.540 2.642
40 1HD1 ILE 13 1HD1 ILE 13 105.678 7.052 -1.514
41 2HD1 ILE 13 2HD1 ILE 13 106.855 7.836 -0.460
42 3HD1 ILE 13 3HD1 ILE 13 106.133 8.732 -1.797
43 H TYR 14 H TYR 14 104.403 4.006 1.493
44 HA TYR 14 HA TYR 14 102.190 4.134 3.432
45 1HB TYR 14 1HB TYR 14 103.020 1.427 2.613
46 2HB TYR 14 2HB TYR 14 101.410 2.073 2.913
47 HD1 TYR 14 HD1 TYR 14 104.147 2.067 0.399
48 HD2 TYR 14 HD2 TYR 14 99.978 2.518 1.113
49 HE1 TYR 14 HE1 TYR 14 103.743 2.095 -2.024
50 HE2 TYR 14 HE2 TYR 14 99.562 2.552 -1.311
51 HH TYR 14 HH TYR 14 102.192 2.618 -3.631
52 HA PRO 15 HA PRO 15 104.821 2.973 6.781
53 1HB PRO 15 1HB PRO 15 103.576 0.271 6.949
54 2HB PRO 15 2HB PRO 15 103.757 1.509 8.202
55 1HG PRO 15 1HG PRO 15 101.392 1.072 7.071
56 2HG PRO 15 2HG PRO 15 101.923 2.722 7.448
57 1HD PRO 15 1HD PRO 15 101.852 1.306 4.813
58 2HD PRO 15 2HD PRO 15 101.476 3.001 5.196
59 H TYR 16 H TYR 16 106.564 1.497 7.484
60 HA TYR 16 HA TYR 16 107.903 0.354 5.193
61 1HB TYR 16 1HB TYR 16 109.365 1.591 6.517
62 2HB TYR 16 2HB TYR 16 108.666 0.999 8.021
63 HD1 TYR 16 HD1 TYR 16 110.743 -0.042 5.118
64 HD2 TYR 16 HD2 TYR 16 109.614 -0.779 9.143
65 HE1 TYR 16 HE1 TYR 16 112.543 -1.713 5.292
66 HE2 TYR 16 HE2 TYR 16 111.411 -2.453 9.351
67 HH TYR 16 HH TYR 16 113.925 -2.726 7.188
68 H GLU 17 H GLU 17 107.104 -0.808 8.478
69 HA GLU 17 HA GLU 17 107.712 -3.492 8.143
70 1HB GLU 17 1HB GLU 17 106.050 -3.924 9.939
71 2HB GLU 17 2HB GLU 17 107.141 -2.597 10.316
72 1HG GLU 17 1HG GLU 17 104.669 -1.771 8.990
73 2HG GLU 17 2HG GLU 17 104.434 -2.530 10.568
74 H MET 18 H MET 18 105.045 -1.672 6.884
75 HA MET 18 HA MET 18 103.509 -4.021 6.144
76 1HB MET 18 1HB MET 18 102.745 -1.517 6.762
77 2HB MET 18 2HB MET 18 102.864 -1.350 5.017
78 1HG MET 18 1HG MET 18 100.803 -2.140 4.915
79 2HG MET 18 2HG MET 18 101.474 -3.711 5.357
80 1HE MET 18 1HE MET 18 99.770 -4.700 8.255
81 2HE MET 18 2HE MET 18 100.391 -4.968 6.626
82 3HE MET 18 3HE MET 18 98.756 -4.350 6.855
83 H LEU 19 H LEU 19 105.785 -1.797 4.758
84 HA LEU 19 HA LEU 19 105.308 -2.659 2.036
85 1HB LEU 19 1HB LEU 19 107.094 -0.669 3.369
86 2HB LEU 19 2HB LEU 19 107.418 -1.159 1.714
87 HG LEU 19 HG LEU 19 104.847 0.083 2.695
88 1HD1 LEU 19 1HD1 LEU 19 107.015 1.494 2.577
89 2HD1 LEU 19 2HD1 LEU 19 105.544 2.110 1.824
90 3HD1 LEU 19 3HD1 LEU 19 106.800 1.369 0.831
91 1HD2 LEU 19 1HD2 LEU 19 104.050 -0.930 0.872
92 2HD2 LEU 19 2HD2 LEU 19 105.658 -1.237 0.220
93 3HD2 LEU 19 3HD2 LEU 19 104.904 0.339 -0.006
94 H VAL 20 H VAL 20 107.242 -3.656 4.667
95 HA VAL 20 HA VAL 20 109.608 -4.518 3.581
96 HB VAL 20 HB VAL 20 108.065 -6.287 5.469
97 1HG1 VAL 20 1HG1 VAL 20 110.452 -6.349 6.464
98 2HG1 VAL 20 2HG1 VAL 20 110.940 -5.765 4.875
99 3HG1 VAL 20 3HG1 VAL 20 110.091 -7.304 5.025
100 1HG2 VAL 20 1HG2 VAL 20 109.422 -3.672 6.048
101 2HG2 VAL 20 2HG2 VAL 20 109.058 -4.874 7.285
102 3HG2 VAL 20 3HG2 VAL 20 107.754 -4.131 6.368
103 H VAL 21 H VAL 21 110.256 -6.818 2.986
104 HA VAL 21 HA VAL 21 108.316 -7.763 1.003
105 HB VAL 21 HB VAL 21 111.243 -8.441 1.210
106 1HG1 VAL 21 1HG1 VAL 21 110.700 -8.745 -1.362
107 2HG1 VAL 21 2HG1 VAL 21 109.083 -9.055 -0.729
108 3HG1 VAL 21 3HG1 VAL 21 110.444 -10.042 -0.193
109 1HG2 VAL 21 1HG2 VAL 21 109.943 -6.341 -0.515
110 2HG2 VAL 21 2HG2 VAL 21 111.659 -6.733 -0.441
111 3HG2 VAL 21 3HG2 VAL 21 110.860 -6.007 0.956
112 H THR 22 H THR 22 110.869 -9.419 2.882
113 HA THR 22 HA THR 22 109.058 -11.720 3.089
114 HB THR 22 HB THR 22 112.061 -11.508 3.202
115 HG1 THR 22 HG1 THR 22 111.971 -12.281 1.250
116 1HG2 THR 22 1HG2 THR 22 110.502 -13.481 4.487
117 2HG2 THR 22 2HG2 THR 22 112.250 -13.435 4.260
118 3HG2 THR 22 3HG2 THR 22 111.223 -14.210 3.053
119 H ASN 23 H ASN 23 111.807 -10.700 5.026
120 HA ASN 23 HA ASN 23 111.526 -11.697 7.399
121 1HB ASN 23 1HB ASN 23 111.758 -8.698 7.196
122 2HB ASN 23 2HB ASN 23 112.449 -9.751 8.431
123 1HD2 ASN 23 1HD2 ASN 23 112.604 -8.817 5.050
124 2HD2 ASN 23 2HD2 ASN 23 114.240 -9.319 4.796
125 H LYS 24 H LYS 24 109.419 -8.980 6.446
126 HA LYS 24 HA LYS 24 107.840 -9.448 8.868
127 1HB LYS 24 1HB LYS 24 108.406 -7.119 7.184
128 2HB LYS 24 2HB LYS 24 106.715 -7.255 7.659
129 1HG LYS 24 1HG LYS 24 107.495 -6.051 9.415
130 2HG LYS 24 2HG LYS 24 107.802 -7.674 10.036
131 1HD LYS 24 1HD LYS 24 109.869 -6.139 8.485
132 2HD LYS 24 2HD LYS 24 109.691 -5.965 10.231
133 1HE LYS 24 1HE LYS 24 109.739 -8.743 9.557
134 2HE LYS 24 2HE LYS 24 111.117 -7.941 8.805
135 1HZ LYS 24 1HZ LYS 24 110.498 -8.311 11.637
136 2HZ LYS 24 2HZ LYS 24 111.295 -6.887 11.194
137 3HZ LYS 24 3HZ LYS 24 111.987 -8.389 10.837
138 H GLY 25 H GLY 25 107.614 -9.619 5.369
139 1HA GLY 25 1HA GLY 25 105.096 -11.062 5.674
140 2HA GLY 25 2HA GLY 25 105.037 -9.596 4.712
141 H ARG 26 H ARG 26 104.721 -10.314 2.703
142 HA ARG 26 HA ARG 26 106.785 -12.044 1.544
143 1HB ARG 26 1HB ARG 26 105.077 -13.608 1.883
144 2HB ARG 26 2HB ARG 26 103.819 -12.459 1.471
145 1HG ARG 26 1HG ARG 26 105.534 -12.824 -0.786
146 2HG ARG 26 2HG ARG 26 105.014 -14.395 -0.174
147 1HD ARG 26 1HD ARG 26 102.748 -12.756 -0.089
148 2HD ARG 26 2HD ARG 26 103.524 -12.417 -1.630
149 HE ARG 26 HE ARG 26 102.965 -14.521 -2.352
150 1HH1 ARG 26 1HH1 ARG 26 102.532 -14.344 1.107
151 2HH1 ARG 26 2HH1 ARG 26 101.736 -15.879 1.210
152 1HH2 ARG 26 1HH2 ARG 26 101.918 -16.538 -2.217
153 2HH2 ARG 26 2HH2 ARG 26 101.388 -17.124 -0.676
154 H THR 27 H THR 27 103.831 -10.944 -0.022
155 HA THR 27 HA THR 27 105.240 -8.761 -1.291
156 HB THR 27 HB THR 27 104.420 -11.266 -2.619
157 HG1 THR 27 HG1 THR 27 106.595 -10.575 -2.465
158 1HG2 THR 27 1HG2 THR 27 102.820 -9.876 -3.685
159 2HG2 THR 27 2HG2 THR 27 104.150 -10.163 -4.810
160 3HG2 THR 27 3HG2 THR 27 104.023 -8.614 -3.966
161 H LYS 28 H LYS 28 102.986 -9.416 0.542
162 HA LYS 28 HA LYS 28 100.528 -8.660 -0.633
163 1HB LYS 28 1HB LYS 28 101.354 -8.431 2.234
164 2HB LYS 28 2HB LYS 28 99.718 -8.643 1.616
165 1HG LYS 28 1HG LYS 28 100.073 -10.788 2.197
166 2HG LYS 28 2HG LYS 28 100.881 -10.856 0.629
167 1HD LYS 28 1HD LYS 28 102.252 -11.864 2.388
168 2HD LYS 28 2HD LYS 28 103.036 -10.435 1.707
169 1HE LYS 28 1HE LYS 28 103.193 -9.580 3.752
170 2HE LYS 28 2HE LYS 28 101.433 -9.561 3.865
171 1HZ LYS 28 1HZ LYS 28 101.421 -11.671 4.872
172 2HZ LYS 28 2HZ LYS 28 102.646 -10.811 5.658
173 3HZ LYS 28 3HZ LYS 28 103.043 -11.968 4.489
174 H LEU 29 H LEU 29 102.507 -6.821 -1.353
175 HA LEU 29 HA LEU 29 102.731 -4.515 0.132
176 1HB LEU 29 1HB LEU 29 102.994 -5.293 -2.691
177 2HB LEU 29 2HB LEU 29 102.774 -3.586 -2.404
178 HG LEU 29 HG LEU 29 105.080 -3.947 -2.566
179 1HD1 LEU 29 1HD1 LEU 29 104.505 -2.450 -0.761
180 2HD1 LEU 29 2HD1 LEU 29 105.924 -3.397 -0.320
181 3HD1 LEU 29 3HD1 LEU 29 104.354 -3.805 0.354
182 1HD2 LEU 29 1HD2 LEU 29 106.017 -5.617 -0.706
183 2HD2 LEU 29 2HD2 LEU 29 105.626 -6.111 -2.354
184 3HD2 LEU 29 3HD2 LEU 29 104.470 -6.386 -1.051
185 HA PRO 30 HA PRO 30 98.818 -2.442 0.035
186 1HB PRO 30 1HB PRO 30 100.408 0.002 -0.540
187 2HB PRO 30 2HB PRO 30 99.262 -0.310 0.771
188 1HG PRO 30 1HG PRO 30 101.905 -0.244 1.208
189 2HG PRO 30 2HG PRO 30 100.841 -1.365 2.082
190 1HD PRO 30 1HD PRO 30 102.731 -1.903 -0.163
191 2HD PRO 30 2HD PRO 30 102.289 -2.929 1.216
192 HA PRO 31 HA PRO 31 97.744 -1.503 -4.154
193 1HB PRO 31 1HB PRO 31 97.023 1.312 -3.754
194 2HB PRO 31 2HB PRO 31 95.988 -0.068 -4.141
195 1HG PRO 31 1HG PRO 31 95.937 1.137 -1.727
196 2HG PRO 31 2HG PRO 31 95.645 -0.600 -1.926
197 1HD PRO 31 1HD PRO 31 98.126 0.814 -1.020
198 2HD PRO 31 2HD PRO 31 97.389 -0.680 -0.400
199 H GLY 32 H GLY 32 99.513 -1.518 -5.470
200 1HA GLY 32 1HA GLY 32 100.758 -0.427 -7.133
201 2HA GLY 32 2HA GLY 32 100.550 1.084 -6.270
202 H VAL 33 H VAL 33 101.927 -2.009 -5.101
203 HA VAL 33 HA VAL 33 104.524 -0.660 -4.897
204 HB VAL 33 HB VAL 33 104.166 -2.478 -2.709
205 1HG1 VAL 33 1HG1 VAL 33 105.743 -0.392 -3.326
206 2HG1 VAL 33 2HG1 VAL 33 105.563 -1.071 -1.713
207 3HG1 VAL 33 3HG1 VAL 33 104.627 0.348 -2.181
208 1HG2 VAL 33 1HG2 VAL 33 102.775 -0.500 -1.529
209 2HG2 VAL 33 2HG2 VAL 33 102.046 -1.972 -2.165
210 3HG2 VAL 33 3HG2 VAL 33 102.041 -0.495 -3.130
211 H ASP 34 H ASP 34 106.176 -1.759 -5.602
212 HA ASP 34 HA ASP 34 106.031 -4.683 -5.739
213 1HB ASP 34 1HB ASP 34 105.395 -3.774 -7.960
214 2HB ASP 34 2HB ASP 34 106.935 -2.917 -8.028
215 H ARG 35 H ARG 35 108.037 -5.732 -5.635
216 HA ARG 35 HA ARG 35 109.975 -4.581 -4.025
217 1HB ARG 35 1HB ARG 35 109.734 -7.048 -5.606
218 2HB ARG 35 2HB ARG 35 111.388 -6.540 -5.296
219 1HG ARG 35 1HG ARG 35 110.971 -7.898 -3.496
220 2HG ARG 35 2HG ARG 35 110.575 -6.306 -2.838
221 1HD ARG 35 1HD ARG 35 108.697 -7.374 -2.179
222 2HD ARG 35 2HD ARG 35 108.174 -6.989 -3.817
223 HE ARG 35 HE ARG 35 109.006 -9.603 -2.810
224 1HH1 ARG 35 1HH1 ARG 35 107.882 -7.665 -5.493
225 2HH1 ARG 35 2HH1 ARG 35 107.443 -9.035 -6.454
226 1HH2 ARG 35 1HH2 ARG 35 108.430 -11.397 -4.079
227 2HH2 ARG 35 2HH2 ARG 35 107.754 -11.149 -5.654
228 H MET 36 H MET 36 109.549 -4.270 -7.432
229 HA MET 36 HA MET 36 112.080 -3.844 -8.404
230 1HB MET 36 1HB MET 36 109.409 -2.696 -9.076
231 2HB MET 36 2HB MET 36 110.836 -1.993 -9.826
232 1HG MET 36 1HG MET 36 111.195 -4.714 -10.142
233 2HG MET 36 2HG MET 36 109.465 -4.477 -10.400
234 1HE MET 36 1HE MET 36 109.509 -4.765 -13.557
235 2HE MET 36 2HE MET 36 108.909 -3.106 -13.535
236 3HE MET 36 3HE MET 36 108.530 -4.199 -12.202
237 H ARG 37 H ARG 37 110.049 -1.546 -6.624
238 HA ARG 37 HA ARG 37 112.444 -0.021 -5.961
239 1HB ARG 37 1HB ARG 37 111.136 2.123 -6.412
240 2HB ARG 37 2HB ARG 37 111.787 1.268 -7.795
241 1HG ARG 37 1HG ARG 37 109.063 0.486 -7.070
242 2HG ARG 37 2HG ARG 37 109.239 2.170 -7.573
243 1HD ARG 37 1HD ARG 37 110.115 -0.270 -9.116
244 2HD ARG 37 2HD ARG 37 108.737 0.767 -9.489
245 HE ARG 37 HE ARG 37 110.815 2.490 -9.513
246 1HH1 ARG 37 1HH1 ARG 37 110.253 -0.573 -11.085
247 2HH1 ARG 37 2HH1 ARG 37 111.234 -0.191 -12.459
248 1HH2 ARG 37 1HH2 ARG 37 112.107 2.996 -11.320
249 2HH2 ARG 37 2HH2 ARG 37 112.287 1.836 -12.593
250 H LEU 38 H LEU 38 111.109 -1.714 -4.272
251 HA LEU 38 HA LEU 38 109.059 -0.539 -2.774
252 1HB LEU 38 1HB LEU 38 110.964 -2.766 -2.402
253 2HB LEU 38 2HB LEU 38 110.264 -2.097 -0.933
254 HG LEU 38 HG LEU 38 108.657 -3.109 -3.282
255 1HD1 LEU 38 1HD1 LEU 38 108.646 -4.502 -0.675
256 2HD1 LEU 38 2HD1 LEU 38 110.075 -4.714 -1.686
257 3HD1 LEU 38 3HD1 LEU 38 108.483 -5.145 -2.308
258 1HD2 LEU 38 1HD2 LEU 38 107.726 -1.296 -1.749
259 2HD2 LEU 38 2HD2 LEU 38 107.689 -2.543 -0.505
260 3HD2 LEU 38 3HD2 LEU 38 106.755 -2.747 -1.987
261 H GLU 39 H GLU 39 112.521 -0.128 -2.703
262 HA GLU 39 HA GLU 39 112.531 1.336 -0.237
263 1HB GLU 39 1HB GLU 39 114.841 1.577 -0.511
264 2HB GLU 39 2HB GLU 39 114.488 0.005 -1.216
265 1HG GLU 39 1HG GLU 39 114.803 2.546 -2.798
266 2HG GLU 39 2HG GLU 39 116.089 1.373 -2.520
267 H ARG 40 H ARG 40 111.018 2.097 -2.871
268 HA ARG 40 HA ARG 40 111.836 4.923 -2.890
269 1HB ARG 40 1HB ARG 40 112.251 3.867 -5.028
270 2HB ARG 40 2HB ARG 40 110.629 3.203 -5.053
271 1HG ARG 40 1HG ARG 40 110.566 4.993 -6.531
272 2HG ARG 40 2HG ARG 40 109.808 5.603 -5.060
273 1HD ARG 40 1HD ARG 40 111.321 7.264 -5.937
274 2HD ARG 40 2HD ARG 40 111.957 6.631 -4.420
275 HE ARG 40 HE ARG 40 113.169 5.095 -6.287
276 1HH1 ARG 40 1HH1 ARG 40 112.865 8.545 -5.866
277 2HH1 ARG 40 2HH1 ARG 40 114.381 8.897 -6.623
278 1HH2 ARG 40 1HH2 ARG 40 115.163 5.554 -7.283
279 2HH2 ARG 40 2HH2 ARG 40 115.687 7.200 -7.429
280 H HIS 41 H HIS 41 109.434 2.642 -2.200
281 HA HIS 41 HA HIS 41 107.199 4.479 -2.380
282 1HB HIS 41 1HB HIS 41 107.583 1.564 -1.911
283 2HB HIS 41 2HB HIS 41 106.132 2.313 -1.259
284 HD1 HIS 41 HD1 HIS 41 104.624 3.613 -3.116
285 HD2 HIS 41 HD2 HIS 41 107.424 0.889 -4.532
286 HE1 HIS 41 HE1 HIS 41 103.932 3.099 -5.478
287 HE2 HIS 41 HE2 HIS 41 105.595 1.394 -6.288
288 H LEU 42 H LEU 42 109.625 3.914 -0.193
289 HA LEU 42 HA LEU 42 108.068 4.099 2.220
290 1HB LEU 42 1HB LEU 42 111.030 4.186 1.668
291 2HB LEU 42 2HB LEU 42 110.329 4.246 3.279
292 HG LEU 42 HG LEU 42 109.384 1.980 1.689
293 1HD1 LEU 42 1HD1 LEU 42 112.075 1.425 2.670
294 2HD1 LEU 42 2HD1 LEU 42 112.034 2.525 1.286
295 3HD1 LEU 42 3HD1 LEU 42 111.283 0.933 1.171
296 1HD2 LEU 42 1HD2 LEU 42 110.753 2.073 4.352
297 2HD2 LEU 42 2HD2 LEU 42 109.662 0.833 3.731
298 3HD2 LEU 42 3HD2 LEU 42 109.044 2.438 4.122
299 H SER 43 H SER 43 107.977 5.854 3.601
300 HA SER 43 HA SER 43 108.211 8.429 2.328
301 1HB SER 43 1HB SER 43 107.537 8.980 4.924
302 2HB SER 43 2HB SER 43 106.376 8.616 3.643
303 HG SER 43 HG SER 43 107.339 6.969 5.704
304 H ALA 44 H ALA 44 109.233 10.266 3.500
305 HA ALA 44 HA ALA 44 111.954 9.924 3.773
306 1HB ALA 44 1HB ALA 44 110.316 12.077 3.752
307 2HB ALA 44 2HB ALA 44 112.034 12.145 4.146
308 3HB ALA 44 3HB ALA 44 110.835 12.077 5.437
309 H GLU 45 H GLU 45 109.460 9.381 6.117
310 HA GLU 45 HA GLU 45 111.262 9.290 8.373
311 1HB GLU 45 1HB GLU 45 108.732 7.892 8.761
312 2HB GLU 45 2HB GLU 45 109.402 9.257 9.638
313 1HG GLU 45 1HG GLU 45 108.645 10.574 7.489
314 2HG GLU 45 2HG GLU 45 107.545 9.205 7.327
315 H ASP 46 H ASP 46 109.320 6.933 6.575
316 HA ASP 46 HA ASP 46 110.296 4.628 7.793
317 1HB ASP 46 1HB ASP 46 109.311 4.989 4.955
318 2HB ASP 46 2HB ASP 46 109.495 3.440 5.781
319 H PHE 47 H PHE 47 111.390 6.232 4.801
320 HA PHE 47 HA PHE 47 113.433 4.451 4.160
321 1HB PHE 47 1HB PHE 47 112.415 6.476 2.853
322 2HB PHE 47 2HB PHE 47 113.713 7.386 3.629
323 HD1 PHE 47 HD1 PHE 47 113.140 4.282 1.664
324 HD2 PHE 47 HD2 PHE 47 115.763 7.493 2.608
325 HE1 PHE 47 HE1 PHE 47 114.715 3.513 -0.073
326 HE2 PHE 47 HE2 PHE 47 117.336 6.734 0.875
327 HZ PHE 47 HZ PHE 47 116.805 4.744 -0.473
328 H SER 48 H SER 48 113.878 7.681 5.597
329 HA SER 48 HA SER 48 116.547 7.349 6.292
330 1HB SER 48 1HB SER 48 114.875 9.438 6.357
331 2HB SER 48 2HB SER 48 114.864 9.035 8.073
332 HG SER 48 HG SER 48 116.823 9.774 8.240
333 H ARG 49 H ARG 49 113.760 5.984 7.766
334 HA ARG 49 HA ARG 49 115.045 5.586 10.336
335 1HB ARG 49 1HB ARG 49 112.651 6.048 10.289
336 2HB ARG 49 2HB ARG 49 112.378 4.635 9.278
337 1HG ARG 49 1HG ARG 49 111.760 3.978 11.436
338 2HG ARG 49 2HG ARG 49 113.356 3.270 11.181
339 1HD ARG 49 1HD ARG 49 113.252 4.225 13.392
340 2HD ARG 49 2HD ARG 49 114.357 5.176 12.395
341 HE ARG 49 HE ARG 49 111.890 6.397 12.190
342 1HH1 ARG 49 1HH1 ARG 49 114.152 5.650 14.740
343 2HH1 ARG 49 2HH1 ARG 49 113.699 7.010 15.711
344 1HH2 ARG 49 1HH2 ARG 49 111.293 8.187 13.465
345 2HH2 ARG 49 2HH2 ARG 49 112.077 8.452 14.987
346 H VAL 50 H VAL 50 114.444 3.807 7.393
347 HA VAL 50 HA VAL 50 115.348 1.313 8.628
348 HB VAL 50 HB VAL 50 114.520 1.683 5.754
349 1HG1 VAL 50 1HG1 VAL 50 114.218 -0.664 5.732
350 2HG1 VAL 50 2HG1 VAL 50 114.414 -0.776 7.481
351 3HG1 VAL 50 3HG1 VAL 50 115.794 -0.363 6.465
352 1HG2 VAL 50 1HG2 VAL 50 112.337 1.599 6.241
353 2HG2 VAL 50 2HG2 VAL 50 112.834 2.191 7.828
354 3HG2 VAL 50 3HG2 VAL 50 112.576 0.467 7.572
355 H PHE 51 H PHE 51 116.257 3.559 6.038
356 HA PHE 51 HA PHE 51 118.766 2.093 5.671
357 1HB PHE 51 1HB PHE 51 117.581 4.335 4.027
358 2HB PHE 51 2HB PHE 51 119.028 3.415 3.626
359 HD1 PHE 51 HD1 PHE 51 115.779 3.817 2.767
360 HD2 PHE 51 HD2 PHE 51 118.484 0.710 3.806
361 HE1 PHE 51 HE1 PHE 51 114.400 2.205 1.513
362 HE2 PHE 51 HE2 PHE 51 117.112 -0.907 2.552
363 HZ PHE 51 HZ PHE 51 115.074 -0.152 1.403
364 H ALA 52 H ALA 52 117.538 5.262 6.616
365 HA ALA 52 HA ALA 52 118.536 6.915 7.869
366 1HB ALA 52 1HB ALA 52 121.146 5.459 7.802
367 2HB ALA 52 2HB ALA 52 119.839 4.923 8.858
368 3HB ALA 52 3HB ALA 52 120.513 6.544 9.040
369 H MET 53 H MET 53 118.787 6.385 4.867
370 HA MET 53 HA MET 53 120.721 8.526 4.300
371 1HB MET 53 1HB MET 53 120.737 7.055 2.013
372 2HB MET 53 2HB MET 53 121.955 6.959 3.278
373 1HG MET 53 1HG MET 53 121.209 4.955 4.052
374 2HG MET 53 2HG MET 53 119.542 5.263 3.563
375 1HE MET 53 1HE MET 53 119.072 5.750 1.022
376 2HE MET 53 2HE MET 53 119.770 4.788 -0.281
377 3HE MET 53 3HE MET 53 120.628 6.198 0.319
378 H SER 54 H SER 54 120.277 9.697 2.332
379 HA SER 54 HA SER 54 117.542 10.430 2.191
380 1HB SER 54 1HB SER 54 119.985 11.210 0.601
381 2HB SER 54 2HB SER 54 118.384 11.891 0.275
382 HG SER 54 HG SER 54 120.089 12.764 2.016
383 HA PRO 55 HA PRO 55 115.888 7.612 -0.823
384 1HB PRO 55 1HB PRO 55 114.587 10.087 -1.874
385 2HB PRO 55 2HB PRO 55 113.866 8.521 -1.486
386 1HG PRO 55 1HG PRO 55 113.561 10.610 0.145
387 2HG PRO 55 2HG PRO 55 113.783 8.970 0.785
388 1HD PRO 55 1HD PRO 55 115.699 11.246 0.697
389 2HD PRO 55 2HD PRO 55 115.551 9.935 1.887
390 H GLU 56 H GLU 56 117.326 10.691 -1.640
391 HA GLU 56 HA GLU 56 117.757 10.026 -4.409
392 1HB GLU 56 1HB GLU 56 118.832 12.143 -4.588
393 2HB GLU 56 2HB GLU 56 117.464 12.374 -3.506
394 1HG GLU 56 1HG GLU 56 118.916 12.329 -1.584
395 2HG GLU 56 2HG GLU 56 120.308 11.963 -2.609
396 H GLU 57 H GLU 57 119.513 9.906 -1.385
397 HA GLU 57 HA GLU 57 122.097 9.490 -2.323
398 1HB GLU 57 1HB GLU 57 120.678 8.666 0.216
399 2HB GLU 57 2HB GLU 57 122.290 8.051 -0.132
400 1HG GLU 57 1HG GLU 57 121.760 10.978 -0.297
401 2HG GLU 57 2HG GLU 57 121.996 10.203 1.270
402 H PHE 58 H PHE 58 119.653 7.022 -1.479
403 HA PHE 58 HA PHE 58 120.910 4.682 -2.091
404 1HB PHE 58 1HB PHE 58 118.345 5.360 -1.563
405 2HB PHE 58 2HB PHE 58 118.191 4.995 -3.279
406 HD1 PHE 58 HD1 PHE 58 118.327 3.653 0.023
407 HD2 PHE 58 HD2 PHE 58 118.992 2.705 -4.073
408 HE1 PHE 58 HE1 PHE 58 118.145 1.265 0.556
409 HE2 PHE 58 HE2 PHE 58 118.806 0.310 -3.546
410 HZ PHE 58 HZ PHE 58 118.386 -0.415 -1.230
411 H GLY 59 H GLY 59 118.961 6.429 -4.535
412 1HA GLY 59 1HA GLY 59 119.756 4.947 -6.741
413 2HA GLY 59 2HA GLY 59 119.207 6.615 -6.809
414 H LYS 60 H LYS 60 121.546 7.355 -5.011
415 HA LYS 60 HA LYS 60 123.493 7.562 -7.191
416 1HB LYS 60 1HB LYS 60 123.060 9.165 -4.677
417 2HB LYS 60 2HB LYS 60 124.511 9.335 -5.663
418 1HG LYS 60 1HG LYS 60 123.103 9.941 -7.588
419 2HG LYS 60 2HG LYS 60 121.676 9.834 -6.551
420 1HD LYS 60 1HD LYS 60 122.254 11.721 -5.342
421 2HD LYS 60 2HD LYS 60 123.963 11.589 -5.758
422 1HE LYS 60 1HE LYS 60 123.559 12.349 -7.982
423 2HE LYS 60 2HE LYS 60 121.813 12.240 -7.762
424 1HZ LYS 60 1HZ LYS 60 123.663 14.310 -6.909
425 2HZ LYS 60 2HZ LYS 60 122.448 13.914 -5.801
426 3HZ LYS 60 3HZ LYS 60 122.036 14.428 -7.359
427 H LEU 61 H LEU 61 122.983 5.485 -4.751
428 HA LEU 61 HA LEU 61 125.612 5.396 -3.616
429 1HB LEU 61 1HB LEU 61 123.242 3.528 -3.404
430 2HB LEU 61 2HB LEU 61 124.700 3.396 -2.445
431 HG LEU 61 HG LEU 61 122.628 5.544 -2.332
432 1HD1 LEU 61 1HD1 LEU 61 123.762 3.859 -0.135
433 2HD1 LEU 61 2HD1 LEU 61 122.340 3.399 -1.072
434 3HD1 LEU 61 3HD1 LEU 61 122.325 4.874 -0.107
435 1HD2 LEU 61 1HD2 LEU 61 124.710 6.715 -2.259
436 2HD2 LEU 61 2HD2 LEU 61 125.386 5.537 -1.134
437 3HD2 LEU 61 3HD2 LEU 61 124.086 6.608 -0.612
438 H ALA 62 H ALA 62 125.341 2.331 -3.711
439 HA ALA 62 HA ALA 62 126.374 1.939 -6.434
440 1HB ALA 62 1HB ALA 62 127.512 0.568 -4.008
441 2HB ALA 62 2HB ALA 62 128.176 2.054 -4.686
442 3HB ALA 62 3HB ALA 62 128.152 0.578 -5.650
443 H LEU 63 H LEU 63 126.852 -0.768 -6.339
444 HA LEU 63 HA LEU 63 124.128 -1.801 -6.332
445 1HB LEU 63 1HB LEU 63 125.831 -2.115 -8.213
446 2HB LEU 63 2HB LEU 63 126.605 -3.286 -7.161
447 HG LEU 63 HG LEU 63 123.743 -3.771 -7.452
448 1HD1 LEU 63 1HD1 LEU 63 125.466 -4.035 -9.908
449 2HD1 LEU 63 2HD1 LEU 63 124.202 -2.826 -9.683
450 3HD1 LEU 63 3HD1 LEU 63 123.785 -4.540 -9.734
451 1HD2 LEU 63 1HD2 LEU 63 124.389 -5.928 -7.279
452 2HD2 LEU 63 2HD2 LEU 63 125.865 -5.195 -6.651
453 3HD2 LEU 63 3HD2 LEU 63 125.785 -5.712 -8.335
454 H TRP 64 H TRP 64 127.039 -2.041 -4.498
455 HA TRP 64 HA TRP 64 126.238 -4.439 -3.101
456 1HB TRP 64 1HB TRP 64 128.374 -3.922 -1.836
457 2HB TRP 64 2HB TRP 64 128.582 -4.191 -3.572
458 HD1 TRP 64 HD1 TRP 64 129.531 -2.183 -4.976
459 HE1 TRP 64 HE1 TRP 64 130.301 0.195 -4.379
460 HE3 TRP 64 HE3 TRP 64 127.753 -2.012 -0.312
461 HZ2 TRP 64 HZ2 TRP 64 130.155 1.924 -2.096
462 HZ3 TRP 64 HZ3 TRP 64 128.104 0.038 1.051
463 HH2 TRP 64 HH2 TRP 64 129.266 1.957 0.162
464 H LYS 65 H LYS 65 126.355 -0.997 -2.801
465 HA LYS 65 HA LYS 65 125.710 -0.841 -0.026
466 1HB LYS 65 1HB LYS 65 126.753 1.009 -1.360
467 2HB LYS 65 2HB LYS 65 125.211 1.221 -2.180
468 1HG LYS 65 1HG LYS 65 125.453 2.871 -0.447
469 2HG LYS 65 2HG LYS 65 124.155 1.746 -0.025
470 1HD LYS 65 1HD LYS 65 125.702 0.535 1.449
471 2HD LYS 65 2HD LYS 65 126.982 1.683 1.036
472 1HE LYS 65 1HE LYS 65 124.466 2.880 1.989
473 2HE LYS 65 2HE LYS 65 125.348 1.919 3.185
474 1HZ LYS 65 1HZ LYS 65 125.841 4.495 2.668
475 2HZ LYS 65 2HZ LYS 65 126.968 3.761 1.642
476 3HZ LYS 65 3HZ LYS 65 126.990 3.424 3.299
477 H ARG 66 H ARG 66 123.757 -0.089 -2.922
478 HA ARG 66 HA ARG 66 121.278 0.161 -1.751
479 1HB ARG 66 1HB ARG 66 121.979 -1.077 -4.416
480 2HB ARG 66 2HB ARG 66 120.355 -0.604 -3.940
481 1HG ARG 66 1HG ARG 66 121.072 1.705 -3.732
482 2HG ARG 66 2HG ARG 66 122.715 1.234 -4.165
483 1HD ARG 66 1HD ARG 66 120.984 0.216 -6.163
484 2HD ARG 66 2HD ARG 66 120.528 1.902 -5.874
485 HE ARG 66 HE ARG 66 123.300 1.811 -6.090
486 1HH1 ARG 66 1HH1 ARG 66 120.512 1.209 -8.099
487 2HH1 ARG 66 2HH1 ARG 66 121.325 1.623 -9.570
488 1HH2 ARG 66 1HH2 ARG 66 124.374 2.356 -8.023
489 2HH2 ARG 66 2HH2 ARG 66 123.518 2.275 -9.527
490 H ASN 67 H ASN 67 122.926 -2.749 -2.820
491 HA ASN 67 HA ASN 67 120.888 -4.600 -2.303
492 1HB ASN 67 1HB ASN 67 123.800 -4.701 -2.715
493 2HB ASN 67 2HB ASN 67 123.161 -6.027 -1.742
494 1HD2 ASN 67 1HD2 ASN 67 122.669 -4.291 -4.782
495 2HD2 ASN 67 2HD2 ASN 67 122.098 -5.657 -5.674
496 H GLU 68 H GLU 68 123.726 -3.985 -0.231
497 HA GLU 68 HA GLU 68 122.971 -5.350 2.008
498 1HB GLU 68 1HB GLU 68 124.551 -2.817 1.675
499 2HB GLU 68 2HB GLU 68 124.275 -3.506 3.268
500 1HG GLU 68 1HG GLU 68 125.483 -5.077 1.014
501 2HG GLU 68 2HG GLU 68 126.446 -4.106 2.127
502 H LEU 69 H LEU 69 122.062 -2.019 1.148
503 HA LEU 69 HA LEU 69 120.661 -1.412 3.505
504 1HB LEU 69 1HB LEU 69 120.005 -0.399 0.744
505 2HB LEU 69 2HB LEU 69 119.643 0.375 2.275
506 HG LEU 69 HG LEU 69 122.458 -0.176 1.593
507 1HD1 LEU 69 1HD1 LEU 69 122.205 0.950 -0.328
508 2HD1 LEU 69 2HD1 LEU 69 122.197 2.358 0.728
509 3HD1 LEU 69 3HD1 LEU 69 120.676 1.663 0.176
510 1HD2 LEU 69 1HD2 LEU 69 120.938 1.711 3.321
511 2HD2 LEU 69 2HD2 LEU 69 122.556 2.146 2.771
512 3HD2 LEU 69 3HD2 LEU 69 122.312 0.681 3.722
513 H LYS 70 H LYS 70 119.350 -2.305 0.344
514 HA LYS 70 HA LYS 70 116.709 -2.827 1.208
515 1HB LYS 70 1HB LYS 70 118.348 -3.390 -1.189
516 2HB LYS 70 2HB LYS 70 116.970 -4.455 -0.942
517 1HG LYS 70 1HG LYS 70 115.451 -2.608 -0.980
518 2HG LYS 70 2HG LYS 70 116.785 -1.451 -0.976
519 1HD LYS 70 1HD LYS 70 116.050 -1.547 -3.210
520 2HD LYS 70 2HD LYS 70 117.518 -2.525 -3.162
521 1HE LYS 70 1HE LYS 70 116.356 -4.513 -3.364
522 2HE LYS 70 2HE LYS 70 114.857 -3.818 -2.750
523 1HZ LYS 70 1HZ LYS 70 114.562 -4.135 -5.051
524 2HZ LYS 70 2HZ LYS 70 116.061 -3.451 -5.432
525 3HZ LYS 70 3HZ LYS 70 114.809 -2.473 -4.853
526 H LYS 71 H LYS 71 119.631 -4.567 1.558
527 HA LYS 71 HA LYS 71 118.369 -7.129 2.020
528 1HB LYS 71 1HB LYS 71 121.204 -6.122 1.951
529 2HB LYS 71 2HB LYS 71 120.829 -7.718 2.609
530 1HG LYS 71 1HG LYS 71 119.974 -8.467 0.534
531 2HG LYS 71 2HG LYS 71 119.968 -6.828 -0.127
532 1HD LYS 71 1HD LYS 71 121.936 -7.416 -1.039
533 2HD LYS 71 2HD LYS 71 122.586 -7.132 0.576
534 1HE LYS 71 1HE LYS 71 121.432 -9.798 0.177
535 2HE LYS 71 2HE LYS 71 122.839 -9.454 -0.828
536 1HZ LYS 71 1HZ LYS 71 123.199 -10.455 1.488
537 2HZ LYS 71 2HZ LYS 71 122.889 -8.896 2.068
538 3HZ LYS 71 3HZ LYS 71 124.185 -9.163 1.015
539 H LYS 72 H LYS 72 119.437 -4.400 3.835
540 HA LYS 72 HA LYS 72 119.337 -5.858 6.358
541 1HB LYS 72 1HB LYS 72 121.196 -4.239 5.915
542 2HB LYS 72 2HB LYS 72 120.004 -2.952 5.850
543 1HG LYS 72 1HG LYS 72 120.192 -4.690 8.274
544 2HG LYS 72 2HG LYS 72 121.348 -3.378 8.029
545 1HD LYS 72 1HD LYS 72 118.349 -3.168 8.279
546 2HD LYS 72 2HD LYS 72 119.566 -2.543 9.385
547 1HE LYS 72 1HE LYS 72 118.837 -1.556 6.645
548 2HE LYS 72 2HE LYS 72 118.825 -0.675 8.171
549 1HZ LYS 72 1HZ LYS 72 120.710 -0.001 6.882
550 2HZ LYS 72 2HZ LYS 72 121.220 -1.600 6.678
551 3HZ LYS 72 3HZ LYS 72 121.268 -0.888 8.211
552 H ALA 73 H ALA 73 117.701 -3.520 4.422
553 HA ALA 73 HA ALA 73 115.830 -2.611 6.366
554 1HB ALA 73 1HB ALA 73 116.188 -2.350 3.421
555 2HB ALA 73 2HB ALA 73 116.156 -1.098 4.663
556 3HB ALA 73 3HB ALA 73 114.655 -1.872 4.150
557 H GLU 74 H GLU 74 116.117 -5.625 5.147
558 HA GLU 74 HA GLU 74 114.726 -7.413 5.024
559 1HB GLU 74 1HB GLU 74 112.693 -5.516 6.220
560 2HB GLU 74 2HB GLU 74 112.496 -7.255 6.081
561 1HG GLU 74 1HG GLU 74 114.184 -7.679 7.661
562 2HG GLU 74 2HG GLU 74 114.771 -6.019 7.592
563 H LEU 75 H LEU 75 114.904 -5.252 2.930
564 HA LEU 75 HA LEU 75 112.715 -6.239 1.309
565 1HB LEU 75 1HB LEU 75 112.850 -3.604 0.496
566 2HB LEU 75 2HB LEU 75 111.553 -4.343 1.426
567 HG LEU 75 HG LEU 75 113.619 -3.560 3.202
568 1HD1 LEU 75 1HD1 LEU 75 112.962 -1.558 1.084
569 2HD1 LEU 75 2HD1 LEU 75 114.522 -1.947 1.811
570 3HD1 LEU 75 3HD1 LEU 75 113.323 -1.035 2.733
571 1HD2 LEU 75 1HD2 LEU 75 111.580 -1.805 3.603
572 2HD2 LEU 75 2HD2 LEU 75 111.643 -3.444 4.251
573 3HD2 LEU 75 3HD2 LEU 75 110.765 -3.120 2.756
574 H PHE 76 H PHE 76 114.764 -7.418 0.677
575 HA PHE 76 HA PHE 76 115.973 -5.955 -1.578
576 1HB PHE 76 1HB PHE 76 117.925 -6.198 -0.466
577 2HB PHE 76 2HB PHE 76 117.269 -7.438 0.604
578 HD1 PHE 76 HD1 PHE 76 117.493 -9.775 0.068
579 HD2 PHE 76 HD2 PHE 76 118.964 -6.784 -2.576
580 HE1 PHE 76 HE1 PHE 76 118.773 -11.488 -1.150
581 HE2 PHE 76 HE2 PHE 76 120.247 -8.491 -3.800
582 HZ PHE 76 HZ PHE 76 120.152 -10.846 -3.087
Start of MODEL 18
1 HT1 PRO 9 HT1 PRO 9 102.502 13.584 -11.380
2 HT2 PRO 9 HT2 PRO 9 102.638 12.030 -10.858
3 HA PRO 9 HA PRO 9 101.790 14.321 -9.572
4 1HB PRO 9 1HB PRO 9 100.230 12.320 -8.326
5 2HB PRO 9 2HB PRO 9 99.650 13.765 -9.164
6 1HG PRO 9 1HG PRO 9 99.957 10.987 -10.173
7 2HG PRO 9 2HG PRO 9 98.754 12.217 -10.605
8 1HD PRO 9 1HD PRO 9 100.741 11.618 -12.278
9 2HD PRO 9 2HD PRO 9 100.207 13.298 -12.078
10 H GLY 10 H GLY 10 102.219 10.790 -9.289
11 1HA GLY 10 1HA GLY 10 104.553 10.335 -8.265
12 2HA GLY 10 2HA GLY 10 103.894 11.240 -6.913
13 H LEU 11 H LEU 11 104.463 9.204 -5.807
14 HA LEU 11 HA LEU 11 102.290 7.241 -6.073
15 1HB LEU 11 1HB LEU 11 104.210 5.888 -4.709
16 2HB LEU 11 2HB LEU 11 103.934 5.773 -6.437
17 HG LEU 11 HG LEU 11 105.656 7.822 -6.443
18 1HD1 LEU 11 1HD1 LEU 11 105.781 7.771 -3.944
19 2HD1 LEU 11 2HD1 LEU 11 107.334 7.617 -4.766
20 3HD1 LEU 11 3HD1 LEU 11 106.554 6.191 -4.078
21 1HD2 LEU 11 1HD2 LEU 11 107.120 6.354 -7.361
22 2HD2 LEU 11 2HD2 LEU 11 105.697 5.313 -7.330
23 3HD2 LEU 11 3HD2 LEU 11 106.920 5.172 -6.068
24 H GLN 12 H GLN 12 101.789 6.071 -4.044
25 HA GLN 12 HA GLN 12 101.536 7.992 -1.878
26 1HB GLN 12 1HB GLN 12 100.246 5.726 -1.008
27 2HB GLN 12 2HB GLN 12 99.491 7.072 -1.847
28 1HG GLN 12 1HG GLN 12 99.627 5.935 -3.935
29 2HG GLN 12 2HG GLN 12 100.624 4.663 -3.240
30 1HE2 GLN 12 1HE2 GLN 12 98.513 3.819 -4.554
31 2HE2 GLN 12 2HE2 GLN 12 97.247 3.305 -3.498
32 H ILE 13 H ILE 13 102.417 7.851 0.091
33 HA ILE 13 HA ILE 13 104.517 5.852 0.476
34 HB ILE 13 HB ILE 13 104.029 8.231 2.247
35 1HG1 ILE 13 1HG1 ILE 13 104.192 8.918 -0.181
36 2HG1 ILE 13 2HG1 ILE 13 105.434 9.589 0.873
37 1HG2 ILE 13 1HG2 ILE 13 106.349 6.422 1.673
38 2HG2 ILE 13 2HG2 ILE 13 105.587 6.790 3.220
39 3HG2 ILE 13 3HG2 ILE 13 106.575 8.007 2.410
40 1HD1 ILE 13 1HD1 ILE 13 107.010 7.901 0.083
41 2HD1 ILE 13 2HD1 ILE 13 106.378 8.885 -1.239
42 3HD1 ILE 13 3HD1 ILE 13 105.767 7.249 -0.986
43 H TYR 14 H TYR 14 104.608 4.515 2.294
44 HA TYR 14 HA TYR 14 102.408 4.653 4.217
45 1HB TYR 14 1HB TYR 14 103.034 1.916 3.328
46 2HB TYR 14 2HB TYR 14 101.482 2.658 3.692
47 HD1 TYR 14 HD1 TYR 14 100.042 3.345 1.946
48 HD2 TYR 14 HD2 TYR 14 104.096 2.389 1.091
49 HE1 TYR 14 HE1 TYR 14 99.553 3.441 -0.465
50 HE2 TYR 14 HE2 TYR 14 103.620 2.476 -1.316
51 HH TYR 14 HH TYR 14 101.841 2.365 -2.842
52 HA PRO 15 HA PRO 15 105.140 3.208 7.396
53 1HB PRO 15 1HB PRO 15 103.883 0.508 7.449
54 2HB PRO 15 2HB PRO 15 104.137 1.657 8.770
55 1HG PRO 15 1HG PRO 15 101.712 1.302 7.726
56 2HG PRO 15 2HG PRO 15 102.270 2.914 8.213
57 1HD PRO 15 1HD PRO 15 102.033 1.732 5.479
58 2HD PRO 15 2HD PRO 15 101.727 3.397 6.021
59 H TYR 16 H TYR 16 106.797 1.448 7.949
60 HA TYR 16 HA TYR 16 108.094 0.663 5.489
61 1HB TYR 16 1HB TYR 16 109.661 1.511 6.948
62 2HB TYR 16 2HB TYR 16 108.869 0.829 8.367
63 HD1 TYR 16 HD1 TYR 16 109.664 -1.115 9.323
64 HD2 TYR 16 HD2 TYR 16 110.847 -0.131 5.364
65 HE1 TYR 16 HE1 TYR 16 111.264 -2.987 9.345
66 HE2 TYR 16 HE2 TYR 16 112.451 -1.994 5.356
67 HH TYR 16 HH TYR 16 112.389 -4.460 7.618
68 H GLU 17 H GLU 17 107.258 -1.049 8.504
69 HA GLU 17 HA GLU 17 107.820 -3.628 7.776
70 1HB GLU 17 1HB GLU 17 106.632 -2.450 9.928
71 2HB GLU 17 2HB GLU 17 105.284 -3.353 9.251
72 1HG GLU 17 1HG GLU 17 106.241 -5.381 9.679
73 2HG GLU 17 2HG GLU 17 107.887 -4.745 9.594
74 H MET 18 H MET 18 105.182 -1.669 6.629
75 HA MET 18 HA MET 18 103.670 -3.903 5.604
76 1HB MET 18 1HB MET 18 103.376 -0.924 5.508
77 2HB MET 18 2HB MET 18 102.430 -1.931 4.422
78 1HG MET 18 1HG MET 18 102.142 -3.102 6.935
79 2HG MET 18 2HG MET 18 102.036 -1.361 7.215
80 1HE MET 18 1HE MET 18 99.817 -0.799 3.962
81 2HE MET 18 2HE MET 18 101.184 -0.201 4.901
82 3HE MET 18 3HE MET 18 99.536 0.085 5.462
83 H LEU 19 H LEU 19 106.292 -2.005 4.500
84 HA LEU 19 HA LEU 19 105.788 -2.789 1.709
85 1HB LEU 19 1HB LEU 19 107.935 -0.881 2.546
86 2HB LEU 19 2HB LEU 19 107.097 -1.000 1.008
87 HG LEU 19 HG LEU 19 105.694 -0.125 3.512
88 1HD1 LEU 19 1HD1 LEU 19 106.013 2.204 2.524
89 2HD1 LEU 19 2HD1 LEU 19 107.323 1.496 1.579
90 3HD1 LEU 19 3HD1 LEU 19 107.400 1.480 3.341
91 1HD2 LEU 19 1HD2 LEU 19 105.023 0.708 0.742
92 2HD2 LEU 19 2HD2 LEU 19 103.971 0.488 2.140
93 3HD2 LEU 19 3HD2 LEU 19 104.595 -0.917 1.274
94 H VAL 20 H VAL 20 107.219 -4.136 4.228
95 HA VAL 20 HA VAL 20 109.863 -4.626 3.309
96 HB VAL 20 HB VAL 20 108.291 -6.399 5.176
97 1HG1 VAL 20 1HG1 VAL 20 111.170 -5.954 4.567
98 2HG1 VAL 20 2HG1 VAL 20 110.300 -7.465 4.848
99 3HG1 VAL 20 3HG1 VAL 20 110.698 -6.405 6.204
100 1HG2 VAL 20 1HG2 VAL 20 109.182 -4.961 6.988
101 2HG2 VAL 20 2HG2 VAL 20 108.015 -4.145 5.949
102 3HG2 VAL 20 3HG2 VAL 20 109.735 -3.824 5.761
103 H VAL 21 H VAL 21 110.704 -6.444 2.256
104 HA VAL 21 HA VAL 21 108.941 -7.551 0.299
105 HB VAL 21 HB VAL 21 111.836 -8.180 0.848
106 1HG1 VAL 21 1HG1 VAL 21 111.218 -9.897 -0.541
107 2HG1 VAL 21 2HG1 VAL 21 111.642 -8.664 -1.730
108 3HG1 VAL 21 3HG1 VAL 21 109.950 -8.954 -1.325
109 1HG2 VAL 21 1HG2 VAL 21 110.774 -6.315 -1.249
110 2HG2 VAL 21 2HG2 VAL 21 112.429 -6.498 -0.675
111 3HG2 VAL 21 3HG2 VAL 21 111.212 -5.765 0.368
112 H THR 22 H THR 22 111.219 -9.309 2.437
113 HA THR 22 HA THR 22 109.372 -11.586 2.316
114 HB THR 22 HB THR 22 112.317 -11.478 2.959
115 HG1 THR 22 HG1 THR 22 112.222 -11.378 0.831
116 1HG2 THR 22 1HG2 THR 22 112.329 -13.879 2.931
117 2HG2 THR 22 2HG2 THR 22 110.590 -13.920 2.635
118 3HG2 THR 22 3HG2 THR 22 111.210 -13.316 4.173
119 H ASN 23 H ASN 23 111.709 -10.321 4.646
120 HA ASN 23 HA ASN 23 111.154 -11.535 6.916
121 1HB ASN 23 1HB ASN 23 111.439 -8.537 6.710
122 2HB ASN 23 2HB ASN 23 111.753 -9.512 8.147
123 1HD2 ASN 23 1HD2 ASN 23 112.828 -8.751 4.906
124 2HD2 ASN 23 2HD2 ASN 23 114.433 -9.363 5.085
125 H LYS 24 H LYS 24 108.966 -9.057 5.598
126 HA LYS 24 HA LYS 24 107.098 -9.744 7.775
127 1HB LYS 24 1HB LYS 24 106.945 -7.180 6.220
128 2HB LYS 24 2HB LYS 24 106.237 -7.560 7.783
129 1HG LYS 24 1HG LYS 24 109.145 -7.099 7.174
130 2HG LYS 24 2HG LYS 24 108.068 -6.061 8.107
131 1HD LYS 24 1HD LYS 24 108.279 -7.308 9.969
132 2HD LYS 24 2HD LYS 24 108.251 -8.829 9.075
133 1HE LYS 24 1HE LYS 24 110.432 -8.979 9.509
134 2HE LYS 24 2HE LYS 24 110.657 -7.679 8.338
135 1HZ LYS 24 1HZ LYS 24 110.769 -6.091 10.016
136 2HZ LYS 24 2HZ LYS 24 111.647 -7.388 10.654
137 3HZ LYS 24 3HZ LYS 24 110.064 -7.102 11.176
138 H GLY 25 H GLY 25 107.390 -11.078 5.136
139 1HA GLY 25 1HA GLY 25 105.093 -12.033 4.448
140 2HA GLY 25 2HA GLY 25 104.801 -10.383 3.918
141 H ARG 26 H ARG 26 104.631 -10.703 1.755
142 HA ARG 26 HA ARG 26 107.100 -11.370 0.371
143 1HB ARG 26 1HB ARG 26 105.561 -12.733 -1.285
144 2HB ARG 26 2HB ARG 26 106.284 -13.495 0.122
145 1HG ARG 26 1HG ARG 26 103.467 -12.436 0.002
146 2HG ARG 26 2HG ARG 26 103.926 -14.117 -0.234
147 1HD ARG 26 1HD ARG 26 105.134 -13.570 2.132
148 2HD ARG 26 2HD ARG 26 103.705 -12.538 2.235
149 HE ARG 26 HE ARG 26 102.648 -14.877 1.470
150 1HH1 ARG 26 1HH1 ARG 26 104.922 -14.090 4.000
151 2HH1 ARG 26 2HH1 ARG 26 104.427 -15.396 5.022
152 1HH2 ARG 26 1HH2 ARG 26 101.996 -16.594 2.816
153 2HH2 ARG 26 2HH2 ARG 26 102.766 -16.817 4.351
154 H THR 27 H THR 27 103.831 -11.157 -1.000
155 HA THR 27 HA THR 27 104.628 -8.647 -2.271
156 HB THR 27 HB THR 27 103.212 -11.067 -3.255
157 HG1 THR 27 HG1 THR 27 105.191 -9.319 -4.246
158 1HG2 THR 27 1HG2 THR 27 101.538 -9.565 -3.830
159 2HG2 THR 27 2HG2 THR 27 102.513 -9.750 -5.290
160 3HG2 THR 27 3HG2 THR 27 102.689 -8.306 -4.284
161 H LYS 28 H LYS 28 103.193 -9.308 0.272
162 HA LYS 28 HA LYS 28 100.483 -8.520 -0.023
163 1HB LYS 28 1HB LYS 28 102.338 -8.856 2.305
164 2HB LYS 28 2HB LYS 28 100.691 -8.275 2.523
165 1HG LYS 28 1HG LYS 28 100.964 -10.713 2.895
166 2HG LYS 28 2HG LYS 28 99.781 -10.304 1.652
167 1HD LYS 28 1HD LYS 28 101.531 -10.716 -0.073
168 2HD LYS 28 2HD LYS 28 102.615 -11.246 1.214
169 1HE LYS 28 1HE LYS 28 100.127 -12.546 0.174
170 2HE LYS 28 2HE LYS 28 101.726 -13.245 0.421
171 1HZ LYS 28 1HZ LYS 28 101.186 -12.699 2.905
172 2HZ LYS 28 2HZ LYS 28 100.596 -14.113 2.185
173 3HZ LYS 28 3HZ LYS 28 99.583 -12.770 2.365
174 H LEU 29 H LEU 29 102.750 -6.659 -0.921
175 HA LEU 29 HA LEU 29 102.908 -4.388 0.613
176 1HB LEU 29 1HB LEU 29 103.334 -5.197 -2.164
177 2HB LEU 29 2HB LEU 29 102.977 -3.493 -1.970
178 HG LEU 29 HG LEU 29 104.923 -3.066 -0.900
179 1HD1 LEU 29 1HD1 LEU 29 106.320 -4.954 0.155
180 2HD1 LEU 29 2HD1 LEU 29 104.838 -5.901 0.055
181 3HD1 LEU 29 3HD1 LEU 29 104.871 -4.415 1.004
182 1HD2 LEU 29 1HD2 LEU 29 106.600 -4.919 -1.953
183 2HD2 LEU 29 2HD2 LEU 29 105.962 -3.510 -2.799
184 3HD2 LEU 29 3HD2 LEU 29 105.172 -5.077 -2.980
185 HA PRO 30 HA PRO 30 99.037 -2.259 0.387
186 1HB PRO 30 1HB PRO 30 100.610 0.179 -0.209
187 2HB PRO 30 2HB PRO 30 99.502 -0.143 1.131
188 1HG PRO 30 1HG PRO 30 102.172 -0.047 1.470
189 2HG PRO 30 2HG PRO 30 101.133 -1.130 2.418
190 1HD PRO 30 1HD PRO 30 102.965 -1.766 0.152
191 2HD PRO 30 2HD PRO 30 102.526 -2.739 1.568
192 HA PRO 31 HA PRO 31 98.087 -1.324 -3.848
193 1HB PRO 31 1HB PRO 31 97.088 1.380 -3.457
194 2HB PRO 31 2HB PRO 31 96.181 -0.103 -3.765
195 1HG PRO 31 1HG PRO 31 96.109 1.218 -1.387
196 2HG PRO 31 2HG PRO 31 95.874 -0.533 -1.535
197 1HD PRO 31 1HD PRO 31 98.317 0.990 -0.707
198 2HD PRO 31 2HD PRO 31 97.646 -0.515 -0.041
199 H GLY 32 H GLY 32 99.895 -1.125 -5.093
200 1HA GLY 32 1HA GLY 32 100.974 0.339 -6.684
201 2HA GLY 32 2HA GLY 32 100.932 1.609 -5.473
202 H VAL 33 H VAL 33 101.799 -0.819 -3.613
203 HA VAL 33 HA VAL 33 104.648 -0.251 -3.901
204 HB VAL 33 HB VAL 33 103.827 -1.990 -1.705
205 1HG1 VAL 33 1HG1 VAL 33 106.004 -0.514 -2.302
206 2HG1 VAL 33 2HG1 VAL 33 105.576 -1.019 -0.667
207 3HG1 VAL 33 3HG1 VAL 33 105.142 0.592 -1.236
208 1HG2 VAL 33 1HG2 VAL 33 102.601 0.694 -2.103
209 2HG2 VAL 33 2HG2 VAL 33 103.031 0.168 -0.476
210 3HG2 VAL 33 3HG2 VAL 33 101.896 -0.778 -1.437
211 H ASP 34 H ASP 34 106.044 -1.563 -4.772
212 HA ASP 34 HA ASP 34 105.538 -4.438 -4.820
213 1HB ASP 34 1HB ASP 34 104.749 -3.172 -6.979
214 2HB ASP 34 2HB ASP 34 106.474 -3.125 -7.347
215 H ARG 35 H ARG 35 107.404 -5.703 -5.013
216 HA ARG 35 HA ARG 35 109.666 -4.910 -3.728
217 1HB ARG 35 1HB ARG 35 109.125 -7.059 -5.729
218 2HB ARG 35 2HB ARG 35 110.788 -6.771 -5.237
219 1HG ARG 35 1HG ARG 35 110.175 -8.379 -3.738
220 2HG ARG 35 2HG ARG 35 109.772 -6.921 -2.825
221 1HD ARG 35 1HD ARG 35 107.956 -8.496 -2.653
222 2HD ARG 35 2HD ARG 35 107.439 -7.116 -3.619
223 HE ARG 35 HE ARG 35 107.224 -8.499 -5.435
224 1HH1 ARG 35 1HH1 ARG 35 108.987 -10.168 -2.927
225 2HH1 ARG 35 2HH1 ARG 35 108.932 -11.699 -3.734
226 1HH2 ARG 35 1HH2 ARG 35 107.154 -10.512 -6.499
227 2HH2 ARG 35 2HH2 ARG 35 107.892 -11.894 -5.762
228 H MET 36 H MET 36 108.858 -4.300 -7.059
229 HA MET 36 HA MET 36 111.304 -3.831 -8.215
230 1HB MET 36 1HB MET 36 108.831 -3.619 -9.112
231 2HB MET 36 2HB MET 36 109.086 -1.913 -8.768
232 1HG MET 36 1HG MET 36 110.562 -1.648 -10.451
233 2HG MET 36 2HG MET 36 111.215 -3.279 -10.279
234 1HE MET 36 1HE MET 36 110.673 -4.528 -13.202
235 2HE MET 36 2HE MET 36 111.555 -3.144 -12.558
236 3HE MET 36 3HE MET 36 110.369 -2.913 -13.843
237 H ARG 37 H ARG 37 109.425 -1.609 -6.176
238 HA ARG 37 HA ARG 37 111.874 -0.092 -5.697
239 1HB ARG 37 1HB ARG 37 110.517 2.055 -5.958
240 2HB ARG 37 2HB ARG 37 111.006 1.235 -7.431
241 1HG ARG 37 1HG ARG 37 108.392 0.406 -6.413
242 2HG ARG 37 2HG ARG 37 108.489 2.105 -6.877
243 1HD ARG 37 1HD ARG 37 108.957 1.613 -9.086
244 2HD ARG 37 2HD ARG 37 109.578 0.007 -8.702
245 HE ARG 37 HE ARG 37 106.953 -0.143 -8.031
246 1HH1 ARG 37 1HH1 ARG 37 108.651 0.806 -10.928
247 2HH1 ARG 37 2HH1 ARG 37 107.382 0.295 -11.989
248 1HH2 ARG 37 1HH2 ARG 37 105.281 -0.812 -9.426
249 2HH2 ARG 37 2HH2 ARG 37 105.469 -0.622 -11.138
250 H LEU 38 H LEU 38 110.754 -1.818 -3.907
251 HA LEU 38 HA LEU 38 108.831 -0.733 -2.193
252 1HB LEU 38 1HB LEU 38 110.833 -2.897 -2.063
253 2HB LEU 38 2HB LEU 38 110.267 -2.278 -0.515
254 HG LEU 38 HG LEU 38 108.508 -3.360 -2.720
255 1HD1 LEU 38 1HD1 LEU 38 108.112 -4.950 -0.568
256 2HD1 LEU 38 2HD1 LEU 38 109.826 -4.579 -0.394
257 3HD1 LEU 38 3HD1 LEU 38 109.229 -5.314 -1.880
258 1HD2 LEU 38 1HD2 LEU 38 107.956 -1.664 -0.486
259 2HD2 LEU 38 2HD2 LEU 38 107.147 -3.217 -0.275
260 3HD2 LEU 38 3HD2 LEU 38 106.870 -2.268 -1.732
261 H GLU 39 H GLU 39 112.278 -0.182 -2.422
262 HA GLU 39 HA GLU 39 112.374 1.242 0.076
263 1HB GLU 39 1HB GLU 39 114.709 1.668 -0.442
264 2HB GLU 39 2HB GLU 39 114.326 -0.034 -0.643
265 1HG GLU 39 1HG GLU 39 115.665 0.472 -2.458
266 2HG GLU 39 2HG GLU 39 114.030 0.504 -3.115
267 H ARG 40 H ARG 40 110.774 2.058 -2.469
268 HA ARG 40 HA ARG 40 111.688 4.857 -2.481
269 1HB ARG 40 1HB ARG 40 111.484 3.163 -4.639
270 2HB ARG 40 2HB ARG 40 109.961 4.037 -4.697
271 1HG ARG 40 1HG ARG 40 112.224 5.795 -4.232
272 2HG ARG 40 2HG ARG 40 112.376 4.876 -5.731
273 1HD ARG 40 1HD ARG 40 109.767 6.168 -5.117
274 2HD ARG 40 2HD ARG 40 111.103 7.189 -5.648
275 HE ARG 40 HE ARG 40 109.526 5.526 -7.281
276 1HH1 ARG 40 1HH1 ARG 40 112.853 6.474 -6.810
277 2HH1 ARG 40 2HH1 ARG 40 113.297 6.192 -8.459
278 1HH2 ARG 40 1HH2 ARG 40 110.109 5.158 -9.452
279 2HH2 ARG 40 2HH2 ARG 40 111.740 5.449 -9.961
280 H HIS 41 H HIS 41 109.246 2.659 -1.721
281 HA HIS 41 HA HIS 41 107.071 4.573 -1.802
282 1HB HIS 41 1HB HIS 41 107.370 1.644 -1.333
283 2HB HIS 41 2HB HIS 41 105.964 2.451 -0.653
284 HD1 HIS 41 HD1 HIS 41 104.530 3.873 -2.529
285 HD2 HIS 41 HD2 HIS 41 107.057 0.875 -3.902
286 HE1 HIS 41 HE1 HIS 41 103.747 3.347 -4.859
287 HE2 HIS 41 HE2 HIS 41 105.223 1.457 -5.628
288 H LEU 42 H LEU 42 109.571 3.934 0.265
289 HA LEU 42 HA LEU 42 108.141 4.149 2.753
290 1HB LEU 42 1HB LEU 42 111.079 4.184 2.073
291 2HB LEU 42 2HB LEU 42 110.439 4.216 3.710
292 HG LEU 42 HG LEU 42 109.404 2.004 2.099
293 1HD1 LEU 42 1HD1 LEU 42 111.265 0.898 1.553
294 2HD1 LEU 42 2HD1 LEU 42 112.139 1.445 2.986
295 3HD1 LEU 42 3HD1 LEU 42 112.011 2.498 1.571
296 1HD2 LEU 42 1HD2 LEU 42 109.696 0.811 4.100
297 2HD2 LEU 42 2HD2 LEU 42 109.164 2.426 4.562
298 3HD2 LEU 42 3HD2 LEU 42 110.865 1.983 4.713
299 H SER 43 H SER 43 108.157 5.902 4.137
300 HA SER 43 HA SER 43 108.435 8.476 2.855
301 1HB SER 43 1HB SER 43 107.815 9.071 5.438
302 2HB SER 43 2HB SER 43 106.617 8.688 4.197
303 HG SER 43 HG SER 43 106.104 7.052 5.392
304 H ALA 44 H ALA 44 109.510 10.276 4.094
305 HA ALA 44 HA ALA 44 112.231 9.844 4.283
306 1HB ALA 44 1HB ALA 44 110.760 11.999 5.788
307 2HB ALA 44 2HB ALA 44 111.086 12.060 4.057
308 3HB ALA 44 3HB ALA 44 112.424 12.036 5.205
309 H GLU 45 H GLU 45 109.777 9.307 6.665
310 HA GLU 45 HA GLU 45 111.626 9.122 8.878
311 1HB GLU 45 1HB GLU 45 109.072 7.783 9.299
312 2HB GLU 45 2HB GLU 45 109.794 9.114 10.183
313 1HG GLU 45 1HG GLU 45 109.021 10.496 8.088
314 2HG GLU 45 2HG GLU 45 107.894 9.154 7.906
315 H ASP 46 H ASP 46 109.591 6.871 7.058
316 HA ASP 46 HA ASP 46 110.550 4.511 8.206
317 1HB ASP 46 1HB ASP 46 109.469 4.914 5.409
318 2HB ASP 46 2HB ASP 46 109.583 3.375 6.263
319 H PHE 47 H PHE 47 111.525 6.137 5.182
320 HA PHE 47 HA PHE 47 113.479 4.331 4.392
321 1HB PHE 47 1HB PHE 47 112.485 6.425 3.195
322 2HB PHE 47 2HB PHE 47 113.829 7.276 3.959
323 HD1 PHE 47 HD1 PHE 47 113.119 4.255 1.920
324 HD2 PHE 47 HD2 PHE 47 115.845 7.377 2.871
325 HE1 PHE 47 HE1 PHE 47 114.625 3.501 0.111
326 HE2 PHE 47 HE2 PHE 47 117.350 6.631 1.070
327 HZ PHE 47 HZ PHE 47 116.732 4.695 -0.316
328 H SER 48 H SER 48 114.039 7.448 6.028
329 HA SER 48 HA SER 48 116.748 7.008 6.558
330 1HB SER 48 1HB SER 48 116.633 8.915 8.005
331 2HB SER 48 2HB SER 48 115.527 9.213 6.663
332 HG SER 48 HG SER 48 113.812 8.611 8.016
333 H ARG 49 H ARG 49 114.001 5.598 8.012
334 HA ARG 49 HA ARG 49 115.319 5.064 10.542
335 1HB ARG 49 1HB ARG 49 112.941 5.551 10.578
336 2HB ARG 49 2HB ARG 49 112.621 4.227 9.467
337 1HG ARG 49 1HG ARG 49 112.487 2.769 11.129
338 2HG ARG 49 2HG ARG 49 114.047 3.277 11.778
339 1HD ARG 49 1HD ARG 49 113.069 4.395 13.434
340 2HD ARG 49 2HD ARG 49 112.034 5.271 12.301
341 HE ARG 49 HE ARG 49 110.894 2.799 12.496
342 1HH1 ARG 49 1HH1 ARG 49 111.777 5.282 14.784
343 2HH1 ARG 49 2HH1 ARG 49 110.513 4.883 15.897
344 1HH2 ARG 49 1HH2 ARG 49 109.230 2.271 13.960
345 2HH2 ARG 49 2HH2 ARG 49 109.067 3.171 15.430
346 H VAL 50 H VAL 50 114.639 3.434 7.525
347 HA VAL 50 HA VAL 50 115.564 0.885 8.626
348 HB VAL 50 HB VAL 50 114.647 1.337 5.794
349 1HG1 VAL 50 1HG1 VAL 50 114.433 -1.152 7.455
350 2HG1 VAL 50 2HG1 VAL 50 115.887 -0.762 6.537
351 3HG1 VAL 50 3HG1 VAL 50 114.348 -0.985 5.702
352 1HG2 VAL 50 1HG2 VAL 50 113.016 1.918 7.857
353 2HG2 VAL 50 2HG2 VAL 50 112.736 0.185 7.717
354 3HG2 VAL 50 3HG2 VAL 50 112.460 1.236 6.328
355 H PHE 51 H PHE 51 116.387 3.234 6.099
356 HA PHE 51 HA PHE 51 118.850 1.756 5.542
357 1HB PHE 51 1HB PHE 51 117.596 4.105 4.112
358 2HB PHE 51 2HB PHE 51 119.077 3.287 3.614
359 HD1 PHE 51 HD1 PHE 51 118.669 0.564 3.562
360 HD2 PHE 51 HD2 PHE 51 115.779 3.594 2.857
361 HE1 PHE 51 HE1 PHE 51 117.353 -1.013 2.199
362 HE2 PHE 51 HE2 PHE 51 114.450 2.021 1.493
363 HZ PHE 51 HZ PHE 51 115.246 -0.282 1.167
364 H ALA 52 H ALA 52 117.731 4.826 6.831
365 HA ALA 52 HA ALA 52 118.812 6.343 8.172
366 1HB ALA 52 1HB ALA 52 121.420 4.933 7.812
367 2HB ALA 52 2HB ALA 52 120.170 4.244 8.848
368 3HB ALA 52 3HB ALA 52 120.826 5.843 9.201
369 H MET 53 H MET 53 118.945 6.062 5.084
370 HA MET 53 HA MET 53 120.781 8.321 4.675
371 1HB MET 53 1HB MET 53 120.833 7.064 2.261
372 2HB MET 53 2HB MET 53 122.076 6.926 3.499
373 1HG MET 53 1HG MET 53 121.456 4.822 4.095
374 2HG MET 53 2HG MET 53 119.766 5.074 3.649
375 1HE MET 53 1HE MET 53 119.100 5.602 1.238
376 2HE MET 53 2HE MET 53 119.823 4.831 -0.175
377 3HE MET 53 3HE MET 53 120.523 6.311 0.469
378 H SER 54 H SER 54 120.290 9.574 2.749
379 HA SER 54 HA SER 54 117.546 10.282 2.715
380 1HB SER 54 1HB SER 54 119.961 11.163 1.144
381 2HB SER 54 2HB SER 54 118.352 11.826 0.827
382 HG SER 54 HG SER 54 118.346 12.297 3.177
383 HA PRO 55 HA PRO 55 115.827 7.664 -0.439
384 1HB PRO 55 1HB PRO 55 114.551 10.201 -1.361
385 2HB PRO 55 2HB PRO 55 113.812 8.628 -1.031
386 1HG PRO 55 1HG PRO 55 113.551 10.652 0.690
387 2HG PRO 55 2HG PRO 55 113.756 8.982 1.257
388 1HD PRO 55 1HD PRO 55 115.707 11.232 1.238
389 2HD PRO 55 2HD PRO 55 115.545 9.883 2.383
390 H GLU 56 H GLU 56 117.311 10.756 -1.097
391 HA GLU 56 HA GLU 56 117.719 10.240 -3.902
392 1HB GLU 56 1HB GLU 56 118.860 12.344 -3.951
393 2HB GLU 56 2HB GLU 56 117.456 12.537 -2.907
394 1HG GLU 56 1HG GLU 56 118.984 13.559 -1.600
395 2HG GLU 56 2HG GLU 56 119.237 11.901 -1.044
396 H GLU 57 H GLU 57 119.485 9.944 -0.895
397 HA GLU 57 HA GLU 57 122.063 9.558 -1.834
398 1HB GLU 57 1HB GLU 57 120.605 8.856 0.650
399 2HB GLU 57 2HB GLU 57 121.959 7.799 0.271
400 1HG GLU 57 1HG GLU 57 122.279 10.768 0.222
401 2HG GLU 57 2HG GLU 57 122.361 9.864 1.733
402 H PHE 58 H PHE 58 119.559 7.075 -1.254
403 HA PHE 58 HA PHE 58 120.839 4.777 -2.023
404 1HB PHE 58 1HB PHE 58 118.262 5.439 -1.458
405 2HB PHE 58 2HB PHE 58 118.127 5.142 -3.188
406 HD1 PHE 58 HD1 PHE 58 118.835 2.889 -4.080
407 HD2 PHE 58 HD2 PHE 58 118.349 3.669 0.076
408 HE1 PHE 58 HE1 PHE 58 118.633 0.475 -3.649
409 HE2 PHE 58 HE2 PHE 58 118.157 1.260 0.514
410 HZ PHE 58 HZ PHE 58 118.298 -0.344 -1.349
411 H GLY 59 H GLY 59 118.879 6.712 -4.308
412 1HA GLY 59 1HA GLY 59 119.652 5.427 -6.633
413 2HA GLY 59 2HA GLY 59 119.135 7.104 -6.557
414 H LYS 60 H LYS 60 121.470 7.675 -4.718
415 HA LYS 60 HA LYS 60 123.419 8.055 -6.865
416 1HB LYS 60 1HB LYS 60 123.293 9.306 -4.116
417 2HB LYS 60 2HB LYS 60 124.439 9.724 -5.387
418 1HG LYS 60 1HG LYS 60 121.952 9.990 -6.590
419 2HG LYS 60 2HG LYS 60 121.729 10.636 -4.960
420 1HD LYS 60 1HD LYS 60 122.662 12.528 -5.676
421 2HD LYS 60 2HD LYS 60 124.187 11.650 -5.811
422 1HE LYS 60 1HE LYS 60 123.984 11.374 -8.080
423 2HE LYS 60 2HE LYS 60 122.223 11.447 -8.040
424 1HZ LYS 60 1HZ LYS 60 124.159 13.591 -8.273
425 2HZ LYS 60 2HZ LYS 60 122.858 13.911 -7.240
426 3HZ LYS 60 3HZ LYS 60 122.573 13.494 -8.853
427 H LEU 61 H LEU 61 122.875 5.772 -4.573
428 HA LEU 61 HA LEU 61 125.523 5.478 -3.544
429 1HB LEU 61 1HB LEU 61 123.071 3.711 -3.465
430 2HB LEU 61 2HB LEU 61 124.549 3.376 -2.593
431 HG LEU 61 HG LEU 61 122.568 5.548 -2.100
432 1HD1 LEU 61 1HD1 LEU 61 123.484 3.104 -0.784
433 2HD1 LEU 61 2HD1 LEU 61 121.925 3.922 -0.715
434 3HD1 LEU 61 3HD1 LEU 61 123.266 4.494 0.277
435 1HD2 LEU 61 1HD2 LEU 61 124.144 6.463 -0.429
436 2HD2 LEU 61 2HD2 LEU 61 124.704 6.672 -2.089
437 3HD2 LEU 61 3HD2 LEU 61 125.397 5.404 -1.076
438 H ALA 62 H ALA 62 125.262 2.483 -3.895
439 HA ALA 62 HA ALA 62 126.104 2.291 -6.703
440 1HB ALA 62 1HB ALA 62 127.404 0.742 -4.479
441 2HB ALA 62 2HB ALA 62 128.013 2.294 -5.050
442 3HB ALA 62 3HB ALA 62 127.944 0.916 -6.148
443 H LEU 63 H LEU 63 126.472 -0.306 -7.065
444 HA LEU 63 HA LEU 63 123.800 -1.378 -6.870
445 1HB LEU 63 1HB LEU 63 125.379 -1.569 -8.860
446 2HB LEU 63 2HB LEU 63 126.235 -2.788 -7.933
447 HG LEU 63 HG LEU 63 123.414 -3.384 -7.992
448 1HD1 LEU 63 1HD1 LEU 63 123.263 -2.240 -10.067
449 2HD1 LEU 63 2HD1 LEU 63 123.343 -3.965 -10.427
450 3HD1 LEU 63 3HD1 LEU 63 124.771 -2.953 -10.642
451 1HD2 LEU 63 1HD2 LEU 63 125.418 -5.036 -9.412
452 2HD2 LEU 63 2HD2 LEU 63 124.170 -5.505 -8.258
453 3HD2 LEU 63 3HD2 LEU 63 125.668 -4.767 -7.687
454 H TRP 64 H TRP 64 126.823 -1.791 -5.239
455 HA TRP 64 HA TRP 64 126.049 -4.257 -3.959
456 1HB TRP 64 1HB TRP 64 128.246 -3.851 -2.758
457 2HB TRP 64 2HB TRP 64 128.370 -4.014 -4.516
458 HD1 TRP 64 HD1 TRP 64 129.304 -1.950 -5.829
459 HE1 TRP 64 HE1 TRP 64 130.144 0.375 -5.129
460 HE3 TRP 64 HE3 TRP 64 127.712 -2.014 -1.095
461 HZ2 TRP 64 HZ2 TRP 64 130.123 1.974 -2.751
462 HZ3 TRP 64 HZ3 TRP 64 128.157 -0.049 0.365
463 HH2 TRP 64 HH2 TRP 64 129.322 1.894 -0.460
464 H LYS 65 H LYS 65 126.258 -0.843 -3.410
465 HA LYS 65 HA LYS 65 125.730 -0.901 -0.608
466 1HB LYS 65 1HB LYS 65 126.628 1.034 -2.186
467 2HB LYS 65 2HB LYS 65 124.914 1.436 -2.276
468 1HG LYS 65 1HG LYS 65 124.780 1.850 0.032
469 2HG LYS 65 2HG LYS 65 126.333 1.066 0.344
470 1HD LYS 65 1HD LYS 65 127.535 2.843 -0.645
471 2HD LYS 65 2HD LYS 65 126.074 3.533 -1.358
472 1HE LYS 65 1HE LYS 65 126.758 4.846 0.557
473 2HE LYS 65 2HE LYS 65 125.231 4.024 0.902
474 1HZ LYS 65 1HZ LYS 65 127.313 4.006 2.551
475 2HZ LYS 65 2HZ LYS 65 127.648 2.603 1.668
476 3HZ LYS 65 3HZ LYS 65 126.175 2.754 2.485
477 H ARG 66 H ARG 66 123.662 0.101 -3.343
478 HA ARG 66 HA ARG 66 121.244 0.297 -2.058
479 1HB ARG 66 1HB ARG 66 121.825 -0.763 -4.823
480 2HB ARG 66 2HB ARG 66 120.217 -0.337 -4.252
481 1HG ARG 66 1HG ARG 66 120.948 1.955 -3.887
482 2HG ARG 66 2HG ARG 66 122.560 1.524 -4.453
483 1HD ARG 66 1HD ARG 66 120.377 0.812 -6.283
484 2HD ARG 66 2HD ARG 66 120.586 2.549 -6.016
485 HE ARG 66 HE ARG 66 123.094 1.754 -6.530
486 1HH1 ARG 66 1HH1 ARG 66 120.082 1.155 -8.192
487 2HH1 ARG 66 2HH1 ARG 66 120.829 1.001 -9.747
488 1HH2 ARG 66 1HH2 ARG 66 124.074 1.551 -8.575
489 2HH2 ARG 66 2HH2 ARG 66 123.094 1.225 -9.964
490 H ASN 67 H ASN 67 122.813 -2.559 -3.343
491 HA ASN 67 HA ASN 67 120.770 -4.423 -2.856
492 1HB ASN 67 1HB ASN 67 123.667 -4.518 -3.379
493 2HB ASN 67 2HB ASN 67 123.054 -5.892 -2.460
494 1HD2 ASN 67 1HD2 ASN 67 122.339 -3.959 -5.343
495 2HD2 ASN 67 2HD2 ASN 67 121.782 -5.284 -6.303
496 H GLU 68 H GLU 68 123.724 -4.073 -0.908
497 HA GLU 68 HA GLU 68 123.049 -5.516 1.283
498 1HB GLU 68 1HB GLU 68 125.151 -3.964 0.649
499 2HB GLU 68 2HB GLU 68 124.395 -2.942 1.865
500 1HG GLU 68 1HG GLU 68 126.006 -4.277 2.968
501 2HG GLU 68 2HG GLU 68 124.419 -4.906 3.410
502 H LEU 69 H LEU 69 122.090 -2.165 0.622
503 HA LEU 69 HA LEU 69 120.905 -1.667 3.129
504 1HB LEU 69 1HB LEU 69 119.989 -0.513 0.507
505 2HB LEU 69 2HB LEU 69 119.798 0.178 2.105
506 HG LEU 69 HG LEU 69 122.526 -0.319 1.119
507 1HD1 LEU 69 1HD1 LEU 69 120.699 1.128 -0.395
508 2HD1 LEU 69 2HD1 LEU 69 122.454 1.134 -0.552
509 3HD1 LEU 69 3HD1 LEU 69 121.653 2.330 0.461
510 1HD2 LEU 69 1HD2 LEU 69 122.327 0.452 3.362
511 2HD2 LEU 69 2HD2 LEU 69 121.215 1.733 2.879
512 3HD2 LEU 69 3HD2 LEU 69 122.909 1.804 2.390
513 H LYS 70 H LYS 70 119.322 -2.351 0.042
514 HA LYS 70 HA LYS 70 116.763 -2.912 1.060
515 1HB LYS 70 1HB LYS 70 118.250 -3.597 -1.436
516 2HB LYS 70 2HB LYS 70 116.741 -4.435 -1.108
517 1HG LYS 70 1HG LYS 70 115.472 -2.575 -1.425
518 2HG LYS 70 2HG LYS 70 116.747 -1.481 -0.872
519 1HD LYS 70 1HD LYS 70 116.357 -1.212 -3.262
520 2HD LYS 70 2HD LYS 70 117.969 -1.866 -2.965
521 1HE LYS 70 1HE LYS 70 117.385 -3.359 -4.544
522 2HE LYS 70 2HE LYS 70 116.546 -4.149 -3.210
523 1HZ LYS 70 1HZ LYS 70 115.370 -3.467 -5.496
524 2HZ LYS 70 2HZ LYS 70 115.052 -2.075 -4.587
525 3HZ LYS 70 3HZ LYS 70 114.541 -3.587 -4.025
526 H LYS 71 H LYS 71 119.686 -4.718 1.067
527 HA LYS 71 HA LYS 71 118.437 -7.265 1.594
528 1HB LYS 71 1HB LYS 71 121.269 -6.274 1.328
529 2HB LYS 71 2HB LYS 71 120.930 -7.891 1.957
530 1HG LYS 71 1HG LYS 71 119.734 -8.439 -0.089
531 2HG LYS 71 2HG LYS 71 120.036 -6.814 -0.708
532 1HD LYS 71 1HD LYS 71 121.938 -7.577 -1.584
533 2HD LYS 71 2HD LYS 71 122.542 -7.814 0.056
534 1HE LYS 71 1HE LYS 71 121.250 -9.799 -1.782
535 2HE LYS 71 2HE LYS 71 122.807 -9.902 -0.961
536 1HZ LYS 71 1HZ LYS 71 121.541 -11.276 0.328
537 2HZ LYS 71 2HZ LYS 71 120.115 -10.398 0.092
538 3HZ LYS 71 3HZ LYS 71 121.298 -9.817 1.151
539 H LYS 72 H LYS 72 119.820 -4.640 3.397
540 HA LYS 72 HA LYS 72 119.797 -6.179 5.869
541 1HB LYS 72 1HB LYS 72 121.780 -4.872 5.600
542 2HB LYS 72 2HB LYS 72 120.854 -3.444 5.165
543 1HG LYS 72 1HG LYS 72 120.122 -4.434 7.785
544 2HG LYS 72 2HG LYS 72 121.850 -4.084 7.669
545 1HD LYS 72 1HD LYS 72 121.327 -1.943 8.018
546 2HD LYS 72 2HD LYS 72 120.623 -1.935 6.402
547 1HE LYS 72 1HE LYS 72 119.067 -1.079 8.102
548 2HE LYS 72 2HE LYS 72 118.457 -2.529 7.308
549 1HZ LYS 72 1HZ LYS 72 119.967 -3.179 9.631
550 2HZ LYS 72 2HZ LYS 72 118.372 -3.587 9.241
551 3HZ LYS 72 3HZ LYS 72 118.705 -2.118 10.011
552 H ALA 73 H ALA 73 118.052 -3.840 4.096
553 HA ALA 73 HA ALA 73 116.508 -2.811 6.293
554 1HB ALA 73 1HB ALA 73 116.699 -2.360 3.378
555 2HB ALA 73 2HB ALA 73 116.654 -1.197 4.701
556 3HB ALA 73 3HB ALA 73 115.165 -1.966 4.151
557 H GLU 74 H GLU 74 116.490 -5.756 4.897
558 HA GLU 74 HA GLU 74 114.994 -7.473 4.985
559 1HB GLU 74 1HB GLU 74 112.933 -5.527 6.017
560 2HB GLU 74 2HB GLU 74 112.954 -7.270 6.212
561 1HG GLU 74 1HG GLU 74 114.800 -5.276 7.495
562 2HG GLU 74 2HG GLU 74 113.564 -6.255 8.283
563 H LEU 75 H LEU 75 115.040 -5.097 2.893
564 HA LEU 75 HA LEU 75 112.857 -6.236 1.348
565 1HB LEU 75 1HB LEU 75 112.835 -3.605 0.524
566 2HB LEU 75 2HB LEU 75 111.616 -4.417 1.497
567 HG LEU 75 HG LEU 75 113.444 -3.622 3.365
568 1HD1 LEU 75 1HD1 LEU 75 113.401 -1.610 1.139
569 2HD1 LEU 75 2HD1 LEU 75 114.797 -2.291 1.977
570 3HD1 LEU 75 3HD1 LEU 75 113.732 -1.158 2.815
571 1HD2 LEU 75 1HD2 LEU 75 110.860 -2.577 2.338
572 2HD2 LEU 75 2HD2 LEU 75 111.731 -1.624 3.542
573 3HD2 LEU 75 3HD2 LEU 75 111.252 -3.282 3.907
574 H PHE 76 H PHE 76 114.754 -7.377 0.465
575 HA PHE 76 HA PHE 76 115.768 -5.854 -1.841
576 1HB PHE 76 1HB PHE 76 117.780 -6.065 -0.726
577 2HB PHE 76 2HB PHE 76 117.321 -7.582 0.050
578 HD1 PHE 76 HD1 PHE 76 117.730 -9.685 -1.031
579 HD2 PHE 76 HD2 PHE 76 118.583 -6.023 -3.027
580 HE1 PHE 76 HE1 PHE 76 119.003 -10.917 -2.741
581 HE2 PHE 76 HE2 PHE 76 119.854 -7.249 -4.740
582 HZ PHE 76 HZ PHE 76 120.066 -9.698 -4.598
Start of MODEL 19
1 HT1 PRO 9 HT1 PRO 9 102.013 13.359 -5.207
2 HT2 PRO 9 HT2 PRO 9 103.396 12.996 -4.393
3 HA PRO 9 HA PRO 9 102.951 13.660 -7.037
4 1HB PRO 9 1HB PRO 9 105.532 14.717 -6.568
5 2HB PRO 9 2HB PRO 9 104.105 15.585 -7.150
6 1HG PRO 9 1HG PRO 9 105.183 15.348 -4.390
7 2HG PRO 9 2HG PRO 9 104.328 16.700 -5.153
8 1HD PRO 9 1HD PRO 9 103.095 15.153 -3.368
9 2HD PRO 9 2HD PRO 9 102.232 15.732 -4.805
10 H GLY 10 H GLY 10 103.459 11.711 -7.808
11 1HA GLY 10 1HA GLY 10 105.385 10.302 -8.433
12 2HA GLY 10 2HA GLY 10 105.887 10.393 -6.753
13 H LEU 11 H LEU 11 105.445 8.711 -5.560
14 HA LEU 11 HA LEU 11 103.200 6.980 -6.346
15 1HB LEU 11 1HB LEU 11 104.798 5.341 -4.884
16 2HB LEU 11 2HB LEU 11 104.776 5.423 -6.636
17 HG LEU 11 HG LEU 11 106.614 7.293 -6.210
18 1HD1 LEU 11 1HD1 LEU 11 108.072 6.390 -4.310
19 2HD1 LEU 11 2HD1 LEU 11 106.593 5.630 -3.718
20 3HD1 LEU 11 3HD1 LEU 11 106.681 7.385 -3.879
21 1HD2 LEU 11 1HD2 LEU 11 106.617 4.819 -7.228
22 2HD2 LEU 11 2HD2 LEU 11 107.661 4.560 -5.832
23 3HD2 LEU 11 3HD2 LEU 11 108.080 5.784 -7.031
24 H GLN 12 H GLN 12 102.323 5.662 -4.532
25 HA GLN 12 HA GLN 12 101.684 7.396 -2.336
26 1HB GLN 12 1HB GLN 12 100.529 5.101 -1.572
27 2HB GLN 12 2HB GLN 12 99.809 6.182 -2.756
28 1HG GLN 12 1HG GLN 12 101.633 4.047 -3.727
29 2HG GLN 12 2HG GLN 12 100.022 3.592 -3.178
30 1HE2 GLN 12 1HE2 GLN 12 101.531 3.912 -5.868
31 2HE2 GLN 12 2HE2 GLN 12 100.364 4.701 -6.867
32 H ILE 13 H ILE 13 102.425 7.376 -0.300
33 HA ILE 13 HA ILE 13 104.649 5.579 0.298
34 HB ILE 13 HB ILE 13 103.835 7.800 2.121
35 1HG1 ILE 13 1HG1 ILE 13 103.848 8.733 -0.196
36 2HG1 ILE 13 2HG1 ILE 13 105.104 9.407 0.840
37 1HG2 ILE 13 1HG2 ILE 13 106.301 6.260 1.469
38 2HG2 ILE 13 2HG2 ILE 13 105.601 6.655 3.040
39 3HG2 ILE 13 3HG2 ILE 13 106.455 7.893 2.120
40 1HD1 ILE 13 1HD1 ILE 13 105.914 8.942 -1.416
41 2HD1 ILE 13 2HD1 ILE 13 105.518 7.237 -1.199
42 3HD1 ILE 13 3HD1 ILE 13 106.762 7.988 -0.198
43 H TYR 14 H TYR 14 104.583 4.048 1.845
44 HA TYR 14 HA TYR 14 102.302 3.992 3.697
45 1HB TYR 14 1HB TYR 14 103.312 1.631 2.092
46 2HB TYR 14 2HB TYR 14 102.035 1.580 3.302
47 HD1 TYR 14 HD1 TYR 14 102.846 2.198 -0.140
48 HD2 TYR 14 HD2 TYR 14 99.898 2.863 2.855
49 HE1 TYR 14 HE1 TYR 14 101.190 2.674 -1.887
50 HE2 TYR 14 HE2 TYR 14 98.231 3.346 1.114
51 HH TYR 14 HH TYR 14 98.549 2.529 -2.014
52 HA PRO 15 HA PRO 15 104.983 2.934 7.045
53 1HB PRO 15 1HB PRO 15 104.057 0.317 7.630
54 2HB PRO 15 2HB PRO 15 103.549 1.824 8.402
55 1HG PRO 15 1HG PRO 15 102.247 0.275 6.226
56 2HG PRO 15 2HG PRO 15 101.515 1.278 7.491
57 1HD PRO 15 1HD PRO 15 101.649 2.121 4.955
58 2HD PRO 15 2HD PRO 15 101.877 3.248 6.311
59 H TYR 16 H TYR 16 106.633 1.255 7.745
60 HA TYR 16 HA TYR 16 107.987 0.304 5.381
61 1HB TYR 16 1HB TYR 16 109.480 1.316 6.839
62 2HB TYR 16 2HB TYR 16 108.712 0.625 8.268
63 HD1 TYR 16 HD1 TYR 16 109.319 -1.520 9.078
64 HD2 TYR 16 HD2 TYR 16 111.014 -0.041 5.476
65 HE1 TYR 16 HE1 TYR 16 110.999 -3.322 9.139
66 HE2 TYR 16 HE2 TYR 16 112.700 -1.830 5.509
67 HH TYR 16 HH TYR 16 113.762 -3.320 7.219
68 H GLU 17 H GLU 17 107.211 -1.240 8.516
69 HA GLU 17 HA GLU 17 107.785 -3.840 7.961
70 1HB GLU 17 1HB GLU 17 105.415 -2.777 9.508
71 2HB GLU 17 2HB GLU 17 105.935 -4.456 9.536
72 1HG GLU 17 1HG GLU 17 108.198 -2.855 10.098
73 2HG GLU 17 2HG GLU 17 106.863 -2.270 11.095
74 H MET 18 H MET 18 104.718 -2.215 7.153
75 HA MET 18 HA MET 18 103.562 -4.507 5.930
76 1HB MET 18 1HB MET 18 102.903 -1.588 5.482
77 2HB MET 18 2HB MET 18 101.884 -2.957 5.057
78 1HG MET 18 1HG MET 18 102.226 -3.437 7.677
79 2HG MET 18 2HG MET 18 102.355 -1.675 7.667
80 1HE MET 18 1HE MET 18 100.781 -0.895 8.787
81 2HE MET 18 2HE MET 18 99.368 -1.855 9.224
82 3HE MET 18 3HE MET 18 99.204 -0.503 8.104
83 H LEU 19 H LEU 19 105.685 -1.977 4.866
84 HA LEU 19 HA LEU 19 105.400 -2.634 2.058
85 1HB LEU 19 1HB LEU 19 106.900 -0.601 3.642
86 2HB LEU 19 2HB LEU 19 107.365 -0.915 1.979
87 HG LEU 19 HG LEU 19 104.665 0.039 2.930
88 1HD1 LEU 19 1HD1 LEU 19 106.613 1.648 2.963
89 2HD1 LEU 19 2HD1 LEU 19 105.219 2.127 1.993
90 3HD1 LEU 19 3HD1 LEU 19 106.659 1.480 1.208
91 1HD2 LEU 19 1HD2 LEU 19 105.555 -1.194 0.452
92 2HD2 LEU 19 2HD2 LEU 19 104.802 0.382 0.210
93 3HD2 LEU 19 3HD2 LEU 19 103.923 -0.896 1.047
94 H VAL 20 H VAL 20 106.932 -4.175 4.492
95 HA VAL 20 HA VAL 20 109.564 -4.495 3.516
96 HB VAL 20 HB VAL 20 108.016 -6.507 5.158
97 1HG1 VAL 20 1HG1 VAL 20 110.899 -6.055 4.548
98 2HG1 VAL 20 2HG1 VAL 20 109.986 -7.565 4.582
99 3HG1 VAL 20 3HG1 VAL 20 110.425 -6.759 6.092
100 1HG2 VAL 20 1HG2 VAL 20 108.550 -5.361 7.091
101 2HG2 VAL 20 2HG2 VAL 20 108.108 -4.064 5.983
102 3HG2 VAL 20 3HG2 VAL 20 109.804 -4.407 6.302
103 H VAL 21 H VAL 21 110.493 -6.169 2.280
104 HA VAL 21 HA VAL 21 108.825 -7.075 0.146
105 HB VAL 21 HB VAL 21 111.717 -7.675 0.767
106 1HG1 VAL 21 1HG1 VAL 21 111.192 -7.923 -1.992
107 2HG1 VAL 21 2HG1 VAL 21 109.976 -8.880 -1.148
108 3HG1 VAL 21 3HG1 VAL 21 111.690 -9.180 -0.860
109 1HG2 VAL 21 1HG2 VAL 21 111.130 -5.295 0.359
110 2HG2 VAL 21 2HG2 VAL 21 110.541 -5.758 -1.239
111 3HG2 VAL 21 3HG2 VAL 21 112.243 -5.970 -0.830
112 H THR 22 H THR 22 111.009 -9.028 2.204
113 HA THR 22 HA THR 22 109.169 -11.283 1.806
114 HB THR 22 HB THR 22 112.086 -11.251 2.594
115 HG1 THR 22 HG1 THR 22 111.785 -10.807 0.420
116 1HG2 THR 22 1HG2 THR 22 112.015 -13.683 2.181
117 2HG2 THR 22 2HG2 THR 22 110.258 -13.586 2.095
118 3HG2 THR 22 3HG2 THR 22 111.090 -13.186 3.597
119 H ASN 23 H ASN 23 111.523 -10.513 4.309
120 HA ASN 23 HA ASN 23 110.853 -11.791 6.452
121 1HB ASN 23 1HB ASN 23 111.167 -8.789 6.520
122 2HB ASN 23 2HB ASN 23 111.448 -9.896 7.866
123 1HD2 ASN 23 1HD2 ASN 23 112.583 -8.875 4.710
124 2HD2 ASN 23 2HD2 ASN 23 114.188 -9.495 4.879
125 H LYS 24 H LYS 24 108.990 -8.795 5.771
126 HA LYS 24 HA LYS 24 106.845 -9.944 7.435
127 1HB LYS 24 1HB LYS 24 107.613 -7.057 7.021
128 2HB LYS 24 2HB LYS 24 106.150 -7.576 7.854
129 1HG LYS 24 1HG LYS 24 107.370 -7.507 9.711
130 2HG LYS 24 2HG LYS 24 108.115 -9.000 9.137
131 1HD LYS 24 1HD LYS 24 109.468 -6.953 7.806
132 2HD LYS 24 2HD LYS 24 109.268 -6.369 9.460
133 1HE LYS 24 1HE LYS 24 110.090 -9.172 9.273
134 2HE LYS 24 2HE LYS 24 111.256 -8.037 8.593
135 1HZ LYS 24 1HZ LYS 24 111.648 -7.085 10.609
136 2HZ LYS 24 2HZ LYS 24 111.274 -8.651 11.126
137 3HZ LYS 24 3HZ LYS 24 110.108 -7.432 11.219
138 H GLY 25 H GLY 25 107.231 -10.249 4.491
139 1HA GLY 25 1HA GLY 25 104.585 -10.105 3.683
140 2HA GLY 25 2HA GLY 25 105.319 -8.591 3.181
141 H ARG 26 H ARG 26 104.659 -9.421 1.044
142 HA ARG 26 HA ARG 26 106.894 -10.830 -0.183
143 1HB ARG 26 1HB ARG 26 105.551 -12.703 0.109
144 2HB ARG 26 2HB ARG 26 104.070 -11.801 -0.144
145 1HG ARG 26 1HG ARG 26 105.637 -11.711 -2.532
146 2HG ARG 26 2HG ARG 26 105.481 -13.382 -1.987
147 1HD ARG 26 1HD ARG 26 102.996 -12.833 -1.682
148 2HD ARG 26 2HD ARG 26 103.322 -11.427 -2.683
149 HE ARG 26 HE ARG 26 104.233 -13.896 -3.837
150 1HH1 ARG 26 1HH1 ARG 26 101.512 -11.742 -3.476
151 2HH1 ARG 26 2HH1 ARG 26 100.727 -12.290 -4.920
152 1HH2 ARG 26 1HH2 ARG 26 103.203 -14.618 -5.736
153 2HH2 ARG 26 2HH2 ARG 26 101.686 -13.924 -6.203
154 H THR 27 H THR 27 103.710 -10.164 -1.504
155 HA THR 27 HA THR 27 104.706 -7.851 -2.944
156 HB THR 27 HB THR 27 104.017 -10.463 -4.119
157 HG1 THR 27 HG1 THR 27 105.921 -9.989 -4.821
158 1HG2 THR 27 1HG2 THR 27 102.108 -9.277 -4.947
159 2HG2 THR 27 2HG2 THR 27 103.273 -9.513 -6.250
160 3HG2 THR 27 3HG2 THR 27 103.125 -7.935 -5.473
161 H LYS 28 H LYS 28 102.644 -8.842 -0.870
162 HA LYS 28 HA LYS 28 100.174 -7.848 -2.016
163 1HB LYS 28 1HB LYS 28 100.824 -9.088 0.637
164 2HB LYS 28 2HB LYS 28 99.201 -8.684 0.090
165 1HG LYS 28 1HG LYS 28 99.287 -10.925 -0.385
166 2HG LYS 28 2HG LYS 28 99.794 -10.225 -1.923
167 1HD LYS 28 1HD LYS 28 101.225 -12.102 -1.267
168 2HD LYS 28 2HD LYS 28 102.132 -10.588 -1.338
169 1HE LYS 28 1HE LYS 28 102.702 -10.760 0.810
170 2HE LYS 28 2HE LYS 28 101.022 -10.986 1.292
171 1HZ LYS 28 1HZ LYS 28 101.196 -13.301 1.004
172 2HZ LYS 28 2HZ LYS 28 102.589 -12.848 1.850
173 3HZ LYS 28 3HZ LYS 28 102.678 -13.184 0.196
174 H LEU 29 H LEU 29 102.346 -6.026 -1.493
175 HA LEU 29 HA LEU 29 102.048 -4.573 0.895
176 1HB LEU 29 1HB LEU 29 102.581 -2.873 -1.406
177 2HB LEU 29 2HB LEU 29 103.504 -3.062 0.058
178 HG LEU 29 HG LEU 29 103.859 -4.326 -2.611
179 1HD1 LEU 29 1HD1 LEU 29 105.357 -2.754 -0.687
180 2HD1 LEU 29 2HD1 LEU 29 105.560 -2.926 -2.430
181 3HD1 LEU 29 3HD1 LEU 29 106.272 -4.112 -1.339
182 1HD2 LEU 29 1HD2 LEU 29 105.497 -5.780 -0.869
183 2HD2 LEU 29 2HD2 LEU 29 104.143 -6.399 -1.808
184 3HD2 LEU 29 3HD2 LEU 29 103.893 -5.850 -0.150
185 HA PRO 30 HA PRO 30 98.332 -2.173 0.585
186 1HB PRO 30 1HB PRO 30 99.325 0.438 0.167
187 2HB PRO 30 2HB PRO 30 98.907 -0.295 1.719
188 1HG PRO 30 1HG PRO 30 101.564 0.008 0.417
189 2HG PRO 30 2HG PRO 30 101.143 0.024 2.142
190 1HD PRO 30 1HD PRO 30 102.348 -2.084 1.015
191 2HD PRO 30 2HD PRO 30 101.121 -2.292 2.282
192 HA PRO 31 HA PRO 31 97.302 -1.298 -3.615
193 1HB PRO 31 1HB PRO 31 96.516 1.509 -3.183
194 2HB PRO 31 2HB PRO 31 95.533 0.128 -3.687
195 1HG PRO 31 1HG PRO 31 95.297 1.201 -1.239
196 2HG PRO 31 2HG PRO 31 95.122 -0.542 -1.515
197 1HD PRO 31 1HD PRO 31 97.463 0.979 -0.430
198 2HD PRO 31 2HD PRO 31 96.788 -0.577 0.100
199 H GLY 32 H GLY 32 99.087 -1.273 -4.920
200 1HA GLY 32 1HA GLY 32 100.227 -0.059 -6.613
201 2HA GLY 32 2HA GLY 32 100.111 1.381 -5.624
202 H VAL 33 H VAL 33 101.456 -1.841 -4.780
203 HA VAL 33 HA VAL 33 104.102 -0.617 -4.681
204 HB VAL 33 HB VAL 33 103.730 -2.357 -2.450
205 1HG1 VAL 33 1HG1 VAL 33 104.532 0.459 -2.175
206 2HG1 VAL 33 2HG1 VAL 33 105.541 -0.592 -3.168
207 3HG1 VAL 33 3HG1 VAL 33 105.241 -0.998 -1.482
208 1HG2 VAL 33 1HG2 VAL 33 101.481 -1.262 -2.542
209 2HG2 VAL 33 2HG2 VAL 33 102.306 0.270 -2.259
210 3HG2 VAL 33 3HG2 VAL 33 102.391 -1.018 -1.054
211 H ASP 34 H ASP 34 105.782 -1.812 -5.095
212 HA ASP 34 HA ASP 34 105.545 -4.708 -5.288
213 1HB ASP 34 1HB ASP 34 104.974 -3.707 -7.544
214 2HB ASP 34 2HB ASP 34 106.616 -3.067 -7.594
215 H ARG 35 H ARG 35 107.497 -5.751 -4.928
216 HA ARG 35 HA ARG 35 109.420 -4.477 -3.403
217 1HB ARG 35 1HB ARG 35 110.020 -6.910 -5.070
218 2HB ARG 35 2HB ARG 35 110.692 -6.472 -3.507
219 1HG ARG 35 1HG ARG 35 109.191 -7.854 -2.632
220 2HG ARG 35 2HG ARG 35 107.989 -6.615 -3.007
221 1HD ARG 35 1HD ARG 35 107.234 -8.714 -3.883
222 2HD ARG 35 2HD ARG 35 107.684 -7.668 -5.230
223 HE ARG 35 HE ARG 35 109.807 -9.398 -4.381
224 1HH1 ARG 35 1HH1 ARG 35 106.951 -9.171 -6.373
225 2HH1 ARG 35 2HH1 ARG 35 107.453 -10.426 -7.455
226 1HH2 ARG 35 1HH2 ARG 35 110.469 -11.050 -5.803
227 2HH2 ARG 35 2HH2 ARG 35 109.450 -11.494 -7.131
228 H MET 36 H MET 36 109.090 -4.488 -6.828
229 HA MET 36 HA MET 36 111.632 -4.262 -7.801
230 1HB MET 36 1HB MET 36 109.125 -3.863 -8.819
231 2HB MET 36 2HB MET 36 109.807 -2.245 -8.909
232 1HG MET 36 1HG MET 36 111.821 -3.376 -10.029
233 2HG MET 36 2HG MET 36 110.738 -4.756 -10.244
234 1HE MET 36 1HE MET 36 111.552 -3.057 -13.473
235 2HE MET 36 2HE MET 36 110.287 -4.285 -13.528
236 3HE MET 36 3HE MET 36 111.663 -4.484 -12.442
237 H ARG 37 H ARG 37 109.742 -1.698 -6.232
238 HA ARG 37 HA ARG 37 112.244 -0.235 -5.808
239 1HB ARG 37 1HB ARG 37 110.824 1.903 -6.246
240 2HB ARG 37 2HB ARG 37 111.517 1.027 -7.600
241 1HG ARG 37 1HG ARG 37 108.958 -0.076 -7.082
242 2HG ARG 37 2HG ARG 37 108.801 1.682 -7.103
243 1HD ARG 37 1HD ARG 37 109.439 1.851 -9.298
244 2HD ARG 37 2HD ARG 37 110.401 0.373 -9.244
245 HE ARG 37 HE ARG 37 107.880 -0.540 -8.952
246 1HH1 ARG 37 1HH1 ARG 37 109.366 1.602 -11.272
247 2HH1 ARG 37 2HH1 ARG 37 108.297 1.155 -12.557
248 1HH2 ARG 37 1HH2 ARG 37 106.473 -1.130 -10.643
249 2HH2 ARG 37 2HH2 ARG 37 106.655 -0.396 -12.201
250 H LEU 38 H LEU 38 110.639 -1.847 -4.022
251 HA LEU 38 HA LEU 38 108.887 -0.495 -2.415
252 1HB LEU 38 1HB LEU 38 110.546 -2.848 -2.235
253 2HB LEU 38 2HB LEU 38 110.405 -2.052 -0.672
254 HG LEU 38 HG LEU 38 108.088 -2.908 -2.412
255 1HD1 LEU 38 1HD1 LEU 38 109.567 -4.184 -0.176
256 2HD1 LEU 38 2HD1 LEU 38 108.769 -4.911 -1.572
257 3HD1 LEU 38 3HD1 LEU 38 107.812 -4.351 -0.200
258 1HD2 LEU 38 1HD2 LEU 38 107.060 -2.438 0.019
259 2HD2 LEU 38 2HD2 LEU 38 107.126 -1.237 -1.269
260 3HD2 LEU 38 3HD2 LEU 38 108.351 -1.239 -0.003
261 H GLU 39 H GLU 39 112.409 -0.272 -2.433
262 HA GLU 39 HA GLU 39 112.581 1.229 -0.029
263 1HB GLU 39 1HB GLU 39 114.856 1.460 -0.454
264 2HB GLU 39 2HB GLU 39 114.452 -0.079 -1.202
265 1HG GLU 39 1HG GLU 39 114.905 2.559 -2.564
266 2HG GLU 39 2HG GLU 39 115.897 1.106 -2.670
267 H ARG 40 H ARG 40 111.002 2.052 -2.701
268 HA ARG 40 HA ARG 40 111.775 4.887 -2.556
269 1HB ARG 40 1HB ARG 40 111.713 3.258 -4.759
270 2HB ARG 40 2HB ARG 40 110.137 4.030 -4.833
271 1HG ARG 40 1HG ARG 40 112.544 5.723 -4.394
272 2HG ARG 40 2HG ARG 40 112.221 5.090 -6.009
273 1HD ARG 40 1HD ARG 40 109.892 6.034 -5.780
274 2HD ARG 40 2HD ARG 40 110.457 6.858 -4.328
275 HE ARG 40 HE ARG 40 111.580 8.356 -5.649
276 1HH1 ARG 40 1HH1 ARG 40 110.627 5.617 -7.591
277 2HH1 ARG 40 2HH1 ARG 40 111.084 6.361 -9.087
278 1HH2 ARG 40 1HH2 ARG 40 112.182 9.335 -7.615
279 2HH2 ARG 40 2HH2 ARG 40 111.966 8.471 -9.101
280 H HIS 41 H HIS 41 109.420 2.583 -1.876
281 HA HIS 41 HA HIS 41 107.160 4.396 -1.987
282 1HB HIS 41 1HB HIS 41 107.596 1.488 -1.655
283 2HB HIS 41 2HB HIS 41 106.212 2.158 -0.805
284 HD1 HIS 41 HD1 HIS 41 104.534 3.602 -2.443
285 HD2 HIS 41 HD2 HIS 41 107.108 0.881 -4.241
286 HE1 HIS 41 HE1 HIS 41 103.584 3.185 -4.733
287 HE2 HIS 41 HE2 HIS 41 105.200 1.599 -5.831
288 H LEU 42 H LEU 42 109.646 3.806 0.127
289 HA LEU 42 HA LEU 42 108.157 3.985 2.583
290 1HB LEU 42 1HB LEU 42 111.109 4.100 1.980
291 2HB LEU 42 2HB LEU 42 110.423 4.097 3.598
292 HG LEU 42 HG LEU 42 109.501 1.870 1.942
293 1HD1 LEU 42 1HD1 LEU 42 112.091 2.454 1.469
294 2HD1 LEU 42 2HD1 LEU 42 111.412 0.826 1.442
295 3HD1 LEU 42 3HD1 LEU 42 112.238 1.412 2.889
296 1HD2 LEU 42 1HD2 LEU 42 109.947 0.643 3.961
297 2HD2 LEU 42 2HD2 LEU 42 109.099 2.140 4.344
298 3HD2 LEU 42 3HD2 LEU 42 110.836 2.014 4.628
299 H SER 43 H SER 43 108.002 5.744 3.904
300 HA SER 43 HA SER 43 108.302 8.320 2.654
301 1HB SER 43 1HB SER 43 107.612 8.888 5.234
302 2HB SER 43 2HB SER 43 106.451 8.513 3.955
303 HG SER 43 HG SER 43 106.805 7.205 6.188
304 H ALA 44 H ALA 44 109.329 10.138 3.944
305 HA ALA 44 HA ALA 44 112.041 9.796 4.152
306 1HB ALA 44 1HB ALA 44 110.138 11.825 5.141
307 2HB ALA 44 2HB ALA 44 111.593 12.013 4.162
308 3HB ALA 44 3HB ALA 44 111.726 11.811 5.909
309 H GLU 45 H GLU 45 109.663 9.566 6.767
310 HA GLU 45 HA GLU 45 111.490 9.078 8.852
311 1HB GLU 45 1HB GLU 45 109.361 7.719 9.748
312 2HB GLU 45 2HB GLU 45 109.453 9.473 9.790
313 1HG GLU 45 1HG GLU 45 108.324 8.269 7.342
314 2HG GLU 45 2HG GLU 45 107.365 8.126 8.814
315 H ASP 46 H ASP 46 109.480 6.787 7.032
316 HA ASP 46 HA ASP 46 110.519 4.441 8.062
317 1HB ASP 46 1HB ASP 46 109.178 5.153 5.484
318 2HB ASP 46 2HB ASP 46 109.867 3.539 5.676
319 H PHE 47 H PHE 47 111.488 6.048 5.010
320 HA PHE 47 HA PHE 47 113.559 4.320 4.357
321 1HB PHE 47 1HB PHE 47 112.473 6.288 3.033
322 2HB PHE 47 2HB PHE 47 113.753 7.253 3.771
323 HD1 PHE 47 HD1 PHE 47 113.221 4.129 1.833
324 HD2 PHE 47 HD2 PHE 47 115.814 7.373 2.758
325 HE1 PHE 47 HE1 PHE 47 114.799 3.373 0.090
326 HE2 PHE 47 HE2 PHE 47 117.390 6.623 1.022
327 HZ PHE 47 HZ PHE 47 116.876 4.625 -0.318
328 H SER 48 H SER 48 113.848 7.508 5.932
329 HA SER 48 HA SER 48 116.586 7.276 6.505
330 1HB SER 48 1HB SER 48 114.917 9.334 6.592
331 2HB SER 48 2HB SER 48 114.824 8.892 8.297
332 HG SER 48 HG SER 48 116.501 10.305 8.126
333 H ARG 49 H ARG 49 113.922 5.708 7.931
334 HA ARG 49 HA ARG 49 115.248 5.339 10.499
335 1HB ARG 49 1HB ARG 49 112.851 5.759 10.531
336 2HB ARG 49 2HB ARG 49 112.569 4.377 9.482
337 1HG ARG 49 1HG ARG 49 112.320 3.112 11.277
338 2HG ARG 49 2HG ARG 49 114.012 3.406 11.686
339 1HD ARG 49 1HD ARG 49 111.624 5.035 12.548
340 2HD ARG 49 2HD ARG 49 112.620 3.990 13.567
341 HE ARG 49 HE ARG 49 114.133 6.053 12.280
342 1HH1 ARG 49 1HH1 ARG 49 112.078 5.338 15.009
343 2HH1 ARG 49 2HH1 ARG 49 112.735 6.601 15.994
344 1HH2 ARG 49 1HH2 ARG 49 114.999 7.713 13.574
345 2HH2 ARG 49 2HH2 ARG 49 114.394 7.950 15.179
346 H VAL 50 H VAL 50 114.560 3.588 7.550
347 HA VAL 50 HA VAL 50 115.538 1.090 8.705
348 HB VAL 50 HB VAL 50 114.645 1.531 5.859
349 1HG1 VAL 50 1HG1 VAL 50 114.527 -1.015 7.435
350 2HG1 VAL 50 2HG1 VAL 50 115.998 -0.520 6.598
351 3HG1 VAL 50 3HG1 VAL 50 114.512 -0.787 5.687
352 1HG2 VAL 50 1HG2 VAL 50 112.808 0.252 7.788
353 2HG2 VAL 50 2HG2 VAL 50 112.461 1.267 6.389
354 3HG2 VAL 50 3HG2 VAL 50 112.982 2.003 7.905
355 H PHE 51 H PHE 51 116.424 3.482 6.262
356 HA PHE 51 HA PHE 51 118.932 2.032 5.785
357 1HB PHE 51 1HB PHE 51 117.667 4.283 4.215
358 2HB PHE 51 2HB PHE 51 119.160 3.449 3.788
359 HD1 PHE 51 HD1 PHE 51 118.769 0.730 3.868
360 HD2 PHE 51 HD2 PHE 51 115.870 3.698 2.953
361 HE1 PHE 51 HE1 PHE 51 117.486 -0.926 2.571
362 HE2 PHE 51 HE2 PHE 51 114.576 2.045 1.656
363 HZ PHE 51 HZ PHE 51 115.398 -0.262 1.462
364 H ALA 52 H ALA 52 117.655 5.123 6.874
365 HA ALA 52 HA ALA 52 118.633 6.749 8.170
366 1HB ALA 52 1HB ALA 52 121.271 5.345 7.989
367 2HB ALA 52 2HB ALA 52 119.999 4.776 9.072
368 3HB ALA 52 3HB ALA 52 120.665 6.398 9.267
369 H MET 53 H MET 53 118.871 6.329 5.123
370 HA MET 53 HA MET 53 120.684 8.593 4.655
371 1HB MET 53 1HB MET 53 120.823 7.220 2.307
372 2HB MET 53 2HB MET 53 122.034 7.168 3.584
373 1HG MET 53 1HG MET 53 121.419 5.089 4.285
374 2HG MET 53 2HG MET 53 119.749 5.282 3.747
375 1HE MET 53 1HE MET 53 119.188 5.671 1.300
376 2HE MET 53 2HE MET 53 119.967 4.822 -0.038
377 3HE MET 53 3HE MET 53 120.627 6.350 0.535
378 H SER 54 H SER 54 120.237 9.746 2.664
379 HA SER 54 HA SER 54 117.489 10.419 2.516
380 1HB SER 54 1HB SER 54 119.414 11.995 2.199
381 2HB SER 54 2HB SER 54 119.715 11.228 0.635
382 HG SER 54 HG SER 54 117.388 11.793 0.244
383 HA PRO 55 HA PRO 55 115.886 7.610 -0.537
384 1HB PRO 55 1HB PRO 55 114.612 10.089 -1.613
385 2HB PRO 55 2HB PRO 55 113.882 8.521 -1.249
386 1HG PRO 55 1HG PRO 55 113.537 10.600 0.386
387 2HG PRO 55 2HG PRO 55 113.752 8.957 1.024
388 1HD PRO 55 1HD PRO 55 115.661 11.241 0.983
389 2HD PRO 55 2HD PRO 55 115.495 9.925 2.166
390 H GLU 56 H GLU 56 117.341 10.685 -1.330
391 HA GLU 56 HA GLU 56 117.838 10.021 -4.086
392 1HB GLU 56 1HB GLU 56 118.930 12.140 -4.231
393 2HB GLU 56 2HB GLU 56 117.510 12.367 -3.214
394 1HG GLU 56 1HG GLU 56 119.039 13.499 -1.983
395 2HG GLU 56 2HG GLU 56 119.240 11.889 -1.285
396 H GLU 57 H GLU 57 119.530 9.932 -1.022
397 HA GLU 57 HA GLU 57 122.138 9.536 -1.866
398 1HB GLU 57 1HB GLU 57 120.621 8.947 0.610
399 2HB GLU 57 2HB GLU 57 121.997 7.891 0.328
400 1HG GLU 57 1HG GLU 57 123.098 10.305 -0.193
401 2HG GLU 57 2HG GLU 57 121.910 10.726 1.040
402 H PHE 58 H PHE 58 119.644 7.055 -1.245
403 HA PHE 58 HA PHE 58 120.990 4.739 -1.849
404 1HB PHE 58 1HB PHE 58 118.395 5.364 -1.368
405 2HB PHE 58 2HB PHE 58 118.298 5.004 -3.089
406 HD1 PHE 58 HD1 PHE 58 119.032 2.739 -3.893
407 HD2 PHE 58 HD2 PHE 58 118.518 3.651 0.231
408 HE1 PHE 58 HE1 PHE 58 118.874 0.338 -3.381
409 HE2 PHE 58 HE2 PHE 58 118.374 1.255 0.752
410 HZ PHE 58 HZ PHE 58 118.552 -0.409 -1.055
411 H GLY 59 H GLY 59 119.054 6.519 -4.275
412 1HA GLY 59 1HA GLY 59 119.916 5.136 -6.514
413 2HA GLY 59 2HA GLY 59 119.362 6.804 -6.534
414 H LYS 60 H LYS 60 121.620 7.513 -4.655
415 HA LYS 60 HA LYS 60 123.630 7.849 -6.750
416 1HB LYS 60 1HB LYS 60 123.113 9.249 -4.136
417 2HB LYS 60 2HB LYS 60 124.618 9.473 -5.024
418 1HG LYS 60 1HG LYS 60 123.151 10.111 -7.011
419 2HG LYS 60 2HG LYS 60 121.832 10.231 -5.840
420 1HD LYS 60 1HD LYS 60 122.980 11.933 -4.617
421 2HD LYS 60 2HD LYS 60 124.451 11.697 -5.561
422 1HE LYS 60 1HE LYS 60 122.168 12.275 -7.250
423 2HE LYS 60 2HE LYS 60 122.434 13.543 -6.052
424 1HZ LYS 60 1HZ LYS 60 123.700 13.430 -8.389
425 2HZ LYS 60 2HZ LYS 60 124.807 12.591 -7.424
426 3HZ LYS 60 3HZ LYS 60 124.353 14.166 -7.012
427 H LEU 61 H LEU 61 123.057 5.644 -4.380
428 HA LEU 61 HA LEU 61 125.679 5.431 -3.273
429 1HB LEU 61 1HB LEU 61 123.243 3.641 -3.193
430 2HB LEU 61 2HB LEU 61 124.708 3.328 -2.292
431 HG LEU 61 HG LEU 61 122.720 5.511 -1.872
432 1HD1 LEU 61 1HD1 LEU 61 123.586 3.073 -0.516
433 2HD1 LEU 61 2HD1 LEU 61 122.040 3.918 -0.466
434 3HD1 LEU 61 3HD1 LEU 61 123.383 4.476 0.533
435 1HD2 LEU 61 1HD2 LEU 61 124.422 6.194 -0.030
436 2HD2 LEU 61 2HD2 LEU 61 124.633 6.795 -1.675
437 3HD2 LEU 61 3HD2 LEU 61 125.604 5.440 -1.100
438 H ALA 62 H ALA 62 125.474 2.421 -3.532
439 HA ALA 62 HA ALA 62 126.391 2.148 -6.307
440 1HB ALA 62 1HB ALA 62 127.653 0.689 -4.006
441 2HB ALA 62 2HB ALA 62 128.254 2.235 -4.601
442 3HB ALA 62 3HB ALA 62 128.237 0.826 -5.662
443 H LEU 63 H LEU 63 126.524 -0.220 -6.961
444 HA LEU 63 HA LEU 63 123.963 -1.383 -6.660
445 1HB LEU 63 1HB LEU 63 125.597 -1.563 -8.613
446 2HB LEU 63 2HB LEU 63 126.400 -2.813 -7.680
447 HG LEU 63 HG LEU 63 123.575 -3.354 -7.814
448 1HD1 LEU 63 1HD1 LEU 63 124.980 -3.021 -10.459
449 2HD1 LEU 63 2HD1 LEU 63 123.600 -2.087 -9.880
450 3HD1 LEU 63 3HD1 LEU 63 123.420 -3.809 -10.217
451 1HD2 LEU 63 1HD2 LEU 63 124.302 -5.480 -8.108
452 2HD2 LEU 63 2HD2 LEU 63 125.805 -4.779 -7.507
453 3HD2 LEU 63 3HD2 LEU 63 125.570 -5.010 -9.240
454 H TRP 64 H TRP 64 126.974 -1.854 -4.981
455 HA TRP 64 HA TRP 64 126.122 -4.317 -3.742
456 1HB TRP 64 1HB TRP 64 128.312 -4.000 -2.517
457 2HB TRP 64 2HB TRP 64 128.455 -4.120 -4.276
458 HD1 TRP 64 HD1 TRP 64 129.465 -2.051 -5.520
459 HE1 TRP 64 HE1 TRP 64 130.360 0.229 -4.747
460 HE3 TRP 64 HE3 TRP 64 127.801 -2.191 -0.814
461 HZ2 TRP 64 HZ2 TRP 64 130.353 1.765 -2.327
462 HZ3 TRP 64 HZ3 TRP 64 128.281 -0.281 0.705
463 HH2 TRP 64 HH2 TRP 64 129.515 1.649 -0.051
464 H LYS 65 H LYS 65 126.410 -0.918 -3.134
465 HA LYS 65 HA LYS 65 125.835 -1.016 -0.338
466 1HB LYS 65 1HB LYS 65 126.837 0.916 -1.857
467 2HB LYS 65 2HB LYS 65 125.142 1.384 -1.967
468 1HG LYS 65 1HG LYS 65 124.981 1.759 0.343
469 2HG LYS 65 2HG LYS 65 126.493 0.902 0.670
470 1HD LYS 65 1HD LYS 65 127.687 2.672 -0.615
471 2HD LYS 65 2HD LYS 65 126.160 3.554 -0.728
472 1HE LYS 65 1HE LYS 65 126.881 4.549 1.160
473 2HE LYS 65 2HE LYS 65 126.270 3.079 1.933
474 1HZ LYS 65 1HZ LYS 65 128.601 3.787 2.533
475 2HZ LYS 65 2HZ LYS 65 129.063 3.320 0.974
476 3HZ LYS 65 3HZ LYS 65 128.419 2.177 2.042
477 H ARG 66 H ARG 66 123.881 0.072 -3.118
478 HA ARG 66 HA ARG 66 121.439 0.373 -1.895
479 1HB ARG 66 1HB ARG 66 122.026 -0.735 -4.644
480 2HB ARG 66 2HB ARG 66 120.445 -0.185 -4.113
481 1HG ARG 66 1HG ARG 66 121.300 2.054 -3.792
482 2HG ARG 66 2HG ARG 66 122.916 1.511 -4.245
483 1HD ARG 66 1HD ARG 66 120.604 1.125 -6.108
484 2HD ARG 66 2HD ARG 66 121.427 2.689 -6.009
485 HE ARG 66 HE ARG 66 123.183 0.437 -6.406
486 1HH1 ARG 66 1HH1 ARG 66 121.212 2.860 -7.964
487 2HH1 ARG 66 2HH1 ARG 66 122.090 2.794 -9.455
488 1HH2 ARG 66 1HH2 ARG 66 124.339 0.350 -8.367
489 2HH2 ARG 66 2HH2 ARG 66 123.863 1.369 -9.685
490 H ASN 67 H ASN 67 122.920 -2.546 -3.157
491 HA ASN 67 HA ASN 67 120.783 -4.315 -2.713
492 1HB ASN 67 1HB ASN 67 123.671 -4.544 -3.234
493 2HB ASN 67 2HB ASN 67 122.992 -5.896 -2.327
494 1HD2 ASN 67 1HD2 ASN 67 122.485 -3.933 -5.222
495 2HD2 ASN 67 2HD2 ASN 67 121.817 -5.204 -6.182
496 H GLU 68 H GLU 68 123.740 -4.119 -0.742
497 HA GLU 68 HA GLU 68 123.027 -5.565 1.420
498 1HB GLU 68 1HB GLU 68 125.145 -4.021 0.843
499 2HB GLU 68 2HB GLU 68 124.378 -3.007 2.059
500 1HG GLU 68 1HG GLU 68 125.901 -4.321 3.239
501 2HG GLU 68 2HG GLU 68 124.333 -5.070 3.534
502 H LEU 69 H LEU 69 122.112 -2.188 0.831
503 HA LEU 69 HA LEU 69 120.897 -1.742 3.330
504 1HB LEU 69 1HB LEU 69 120.037 -0.502 0.727
505 2HB LEU 69 2HB LEU 69 119.839 0.151 2.342
506 HG LEU 69 HG LEU 69 122.573 -0.383 1.397
507 1HD1 LEU 69 1HD1 LEU 69 120.881 1.053 -0.207
508 2HD1 LEU 69 2HD1 LEU 69 122.639 1.170 -0.194
509 3HD1 LEU 69 3HD1 LEU 69 121.670 2.295 0.757
510 1HD2 LEU 69 1HD2 LEU 69 122.757 0.464 3.482
511 2HD2 LEU 69 2HD2 LEU 69 121.202 1.291 3.392
512 3HD2 LEU 69 3HD2 LEU 69 122.624 1.999 2.625
513 H LYS 70 H LYS 70 119.331 -2.322 0.212
514 HA LYS 70 HA LYS 70 116.766 -2.897 1.245
515 1HB LYS 70 1HB LYS 70 118.183 -3.408 -1.331
516 2HB LYS 70 2HB LYS 70 116.692 -4.282 -1.021
517 1HG LYS 70 1HG LYS 70 115.422 -2.311 -0.929
518 2HG LYS 70 2HG LYS 70 116.861 -1.298 -0.770
519 1HD LYS 70 1HD LYS 70 116.186 -1.016 -2.997
520 2HD LYS 70 2HD LYS 70 117.513 -2.176 -3.082
521 1HE LYS 70 1HE LYS 70 114.904 -3.429 -2.719
522 2HE LYS 70 2HE LYS 70 115.023 -2.489 -4.206
523 1HZ LYS 70 1HZ LYS 70 117.178 -3.736 -4.586
524 2HZ LYS 70 2HZ LYS 70 115.749 -4.624 -4.762
525 3HZ LYS 70 3HZ LYS 70 116.678 -4.789 -3.359
526 H LYS 71 H LYS 71 119.672 -4.704 1.151
527 HA LYS 71 HA LYS 71 118.444 -7.297 1.430
528 1HB LYS 71 1HB LYS 71 121.294 -6.292 1.497
529 2HB LYS 71 2HB LYS 71 120.879 -7.978 1.809
530 1HG LYS 71 1HG LYS 71 119.704 -6.880 -0.632
531 2HG LYS 71 2HG LYS 71 121.469 -6.912 -0.624
532 1HD LYS 71 1HD LYS 71 119.783 -9.301 0.097
533 2HD LYS 71 2HD LYS 71 120.335 -8.973 -1.546
534 1HE LYS 71 1HE LYS 71 122.039 -10.317 -0.853
535 2HE LYS 71 2HE LYS 71 122.674 -8.760 -0.322
536 1HZ LYS 71 1HZ LYS 71 122.476 -10.879 1.264
537 2HZ LYS 71 2HZ LYS 71 120.979 -10.158 1.579
538 3HZ LYS 71 3HZ LYS 71 122.405 -9.288 1.835
539 H LYS 72 H LYS 72 119.857 -4.861 3.515
540 HA LYS 72 HA LYS 72 119.607 -6.607 5.831
541 1HB LYS 72 1HB LYS 72 120.851 -4.925 7.058
542 2HB LYS 72 2HB LYS 72 121.701 -5.319 5.571
543 1HG LYS 72 1HG LYS 72 121.875 -3.065 5.487
544 2HG LYS 72 2HG LYS 72 120.315 -3.241 4.676
545 1HD LYS 72 1HD LYS 72 119.487 -3.119 7.228
546 2HD LYS 72 2HD LYS 72 120.958 -2.152 7.348
547 1HE LYS 72 1HE LYS 72 119.253 -1.544 5.033
548 2HE LYS 72 2HE LYS 72 118.531 -1.188 6.602
549 1HZ LYS 72 1HZ LYS 72 119.960 0.487 6.972
550 2HZ LYS 72 2HZ LYS 72 120.139 0.485 5.291
551 3HZ LYS 72 3HZ LYS 72 121.273 -0.308 6.262
552 H ALA 73 H ALA 73 118.055 -4.082 4.182
553 HA ALA 73 HA ALA 73 116.526 -3.082 6.406
554 1HB ALA 73 1HB ALA 73 116.757 -2.509 3.508
555 2HB ALA 73 2HB ALA 73 116.778 -1.405 4.884
556 3HB ALA 73 3HB ALA 73 115.248 -2.068 4.306
557 H GLU 74 H GLU 74 116.418 -5.953 4.877
558 HA GLU 74 HA GLU 74 114.861 -7.614 4.816
559 1HB GLU 74 1HB GLU 74 112.922 -5.658 6.056
560 2HB GLU 74 2HB GLU 74 112.809 -7.409 6.057
561 1HG GLU 74 1HG GLU 74 115.038 -5.900 7.389
562 2HG GLU 74 2HG GLU 74 113.547 -6.363 8.209
563 H LEU 75 H LEU 75 114.999 -5.145 2.876
564 HA LEU 75 HA LEU 75 112.714 -6.043 1.313
565 1HB LEU 75 1HB LEU 75 112.852 -3.382 0.626
566 2HB LEU 75 2HB LEU 75 111.617 -4.142 1.621
567 HG LEU 75 HG LEU 75 113.624 -3.557 3.406
568 1HD1 LEU 75 1HD1 LEU 75 114.942 -2.173 2.107
569 2HD1 LEU 75 2HD1 LEU 75 113.854 -1.027 2.893
570 3HD1 LEU 75 3HD1 LEU 75 113.559 -1.522 1.223
571 1HD2 LEU 75 1HD2 LEU 75 110.979 -2.485 2.677
572 2HD2 LEU 75 2HD2 LEU 75 111.977 -1.458 3.707
573 3HD2 LEU 75 3HD2 LEU 75 111.571 -3.095 4.222
574 H PHE 76 H PHE 76 114.680 -7.236 0.434
575 HA PHE 76 HA PHE 76 115.742 -5.647 -1.808
576 1HB PHE 76 1HB PHE 76 117.759 -6.044 -0.833
577 2HB PHE 76 2HB PHE 76 117.166 -7.433 0.079
578 HD1 PHE 76 HD1 PHE 76 117.186 -9.661 -0.915
579 HD2 PHE 76 HD2 PHE 76 118.700 -6.288 -3.022
580 HE1 PHE 76 HE1 PHE 76 118.312 -11.164 -2.507
581 HE2 PHE 76 HE2 PHE 76 119.828 -7.784 -4.616
582 HZ PHE 76 HZ PHE 76 119.635 -10.225 -4.360
Start of MODEL 20
1 HT1 PRO 9 HT1 PRO 9 102.311 13.730 -5.665
2 HT2 PRO 9 HT2 PRO 9 103.287 12.406 -5.721
3 HA PRO 9 HA PRO 9 102.651 13.991 -7.665
4 1HB PRO 9 1HB PRO 9 105.488 14.573 -7.676
5 2HB PRO 9 2HB PRO 9 104.123 15.681 -7.865
6 1HG PRO 9 1HG PRO 9 105.721 15.638 -5.656
7 2HG PRO 9 2HG PRO 9 104.023 16.149 -5.628
8 1HD PRO 9 1HD PRO 9 105.221 13.507 -4.849
9 2HD PRO 9 2HD PRO 9 103.971 14.458 -4.024
10 H GLY 10 H GLY 10 105.369 12.135 -6.336
11 1HA GLY 10 1HA GLY 10 105.830 10.802 -8.875
12 2HA GLY 10 2HA GLY 10 106.725 10.550 -7.386
13 H LEU 11 H LEU 11 106.113 9.006 -5.975
14 HA LEU 11 HA LEU 11 103.942 7.239 -6.873
15 1HB LEU 11 1HB LEU 11 105.265 5.414 -5.809
16 2HB LEU 11 2HB LEU 11 105.980 6.116 -7.246
17 HG LEU 11 HG LEU 11 107.098 7.586 -5.176
18 1HD1 LEU 11 1HD1 LEU 11 106.056 5.615 -3.781
19 2HD1 LEU 11 2HD1 LEU 11 107.664 6.242 -3.420
20 3HD1 LEU 11 3HD1 LEU 11 107.485 4.756 -4.354
21 1HD2 LEU 11 1HD2 LEU 11 108.471 5.156 -6.204
22 2HD2 LEU 11 2HD2 LEU 11 109.076 6.802 -6.015
23 3HD2 LEU 11 3HD2 LEU 11 107.989 6.409 -7.347
24 H GLN 12 H GLN 12 103.023 5.867 -5.125
25 HA GLN 12 HA GLN 12 102.258 7.529 -2.914
26 1HB GLN 12 1HB GLN 12 101.082 5.262 -2.238
27 2HB GLN 12 2HB GLN 12 100.453 6.262 -3.538
28 1HG GLN 12 1HG GLN 12 102.425 4.184 -4.276
29 2HG GLN 12 2HG GLN 12 100.826 3.638 -3.773
30 1HE2 GLN 12 1HE2 GLN 12 99.113 3.917 -5.108
31 2HE2 GLN 12 2HE2 GLN 12 99.226 4.579 -6.699
32 H ILE 13 H ILE 13 102.762 7.331 -0.776
33 HA ILE 13 HA ILE 13 104.921 5.441 -0.123
34 HB ILE 13 HB ILE 13 104.410 8.145 1.120
35 1HG1 ILE 13 1HG1 ILE 13 106.196 7.222 -1.106
36 2HG1 ILE 13 2HG1 ILE 13 105.203 8.675 -1.004
37 1HG2 ILE 13 1HG2 ILE 13 105.518 6.278 2.489
38 2HG2 ILE 13 2HG2 ILE 13 106.333 7.840 2.402
39 3HG2 ILE 13 3HG2 ILE 13 106.895 6.495 1.410
40 1HD1 ILE 13 1HD1 ILE 13 107.965 8.204 -0.152
41 2HD1 ILE 13 2HD1 ILE 13 106.980 9.120 0.989
42 3HD1 ILE 13 3HD1 ILE 13 107.168 9.689 -0.669
43 H TYR 14 H TYR 14 104.528 3.992 1.407
44 HA TYR 14 HA TYR 14 102.353 4.492 3.330
45 1HB TYR 14 1HB TYR 14 103.029 1.792 2.153
46 2HB TYR 14 2HB TYR 14 101.644 2.207 3.158
47 HD1 TYR 14 HD1 TYR 14 103.124 2.549 -0.200
48 HD2 TYR 14 HD2 TYR 14 99.682 3.187 2.218
49 HE1 TYR 14 HE1 TYR 14 101.791 2.977 -2.219
50 HE2 TYR 14 HE2 TYR 14 98.339 3.619 0.205
51 HH TYR 14 HH TYR 14 99.127 2.748 -2.752
52 HA PRO 15 HA PRO 15 104.827 3.344 6.806
53 1HB PRO 15 1HB PRO 15 103.306 0.778 7.030
54 2HB PRO 15 2HB PRO 15 103.683 1.977 8.278
55 1HG PRO 15 1HG PRO 15 101.251 1.874 7.223
56 2HG PRO 15 2HG PRO 15 102.018 3.437 7.562
57 1HD PRO 15 1HD PRO 15 101.616 2.045 4.956
58 2HD PRO 15 2HD PRO 15 101.581 3.782 5.325
59 H TYR 16 H TYR 16 106.300 1.571 7.676
60 HA TYR 16 HA TYR 16 107.713 0.424 5.441
61 1HB TYR 16 1HB TYR 16 109.135 1.434 7.006
62 2HB TYR 16 2HB TYR 16 108.275 0.735 8.378
63 HD1 TYR 16 HD1 TYR 16 108.567 -1.645 8.919
64 HD2 TYR 16 HD2 TYR 16 110.915 0.265 5.942
65 HE1 TYR 16 HE1 TYR 16 110.189 -3.500 9.020
66 HE2 TYR 16 HE2 TYR 16 112.545 -1.576 6.020
67 HH TYR 16 HH TYR 16 112.839 -3.652 8.421
68 H GLU 17 H GLU 17 106.504 -0.871 8.546
69 HA GLU 17 HA GLU 17 106.919 -3.542 8.217
70 1HB GLU 17 1HB GLU 17 104.807 -1.955 9.582
71 2HB GLU 17 2HB GLU 17 104.507 -3.676 9.382
72 1HG GLU 17 1HG GLU 17 106.633 -4.162 10.509
73 2HG GLU 17 2HG GLU 17 106.885 -2.430 10.745
74 H MET 18 H MET 18 104.067 -1.768 7.008
75 HA MET 18 HA MET 18 102.903 -4.028 5.746
76 1HB MET 18 1HB MET 18 102.509 -1.070 5.252
77 2HB MET 18 2HB MET 18 101.514 -2.336 4.545
78 1HG MET 18 1HG MET 18 101.360 -2.970 7.172
79 2HG MET 18 2HG MET 18 101.510 -1.214 7.255
80 1HE MET 18 1HE MET 18 97.654 -1.943 7.746
81 2HE MET 18 2HE MET 18 99.123 -1.326 8.502
82 3HE MET 18 3HE MET 18 98.940 -3.057 8.212
83 H LEU 19 H LEU 19 105.292 -1.688 4.807
84 HA LEU 19 HA LEU 19 105.242 -2.435 2.012
85 1HB LEU 19 1HB LEU 19 106.812 -0.511 3.677
86 2HB LEU 19 2HB LEU 19 107.356 -0.919 2.059
87 HG LEU 19 HG LEU 19 104.684 0.298 2.760
88 1HD1 LEU 19 1HD1 LEU 19 106.976 1.566 1.283
89 2HD1 LEU 19 2HD1 LEU 19 106.726 1.756 3.018
90 3HD1 LEU 19 3HD1 LEU 19 105.505 2.333 1.882
91 1HD2 LEU 19 1HD2 LEU 19 105.783 -0.928 0.335
92 2HD2 LEU 19 2HD2 LEU 19 105.040 0.655 0.099
93 3HD2 LEU 19 3HD2 LEU 19 104.108 -0.661 0.816
94 H VAL 20 H VAL 20 106.542 -3.789 4.771
95 HA VAL 20 HA VAL 20 109.132 -4.502 4.175
96 HB VAL 20 HB VAL 20 107.053 -6.240 5.512
97 1HG1 VAL 20 1HG1 VAL 20 109.005 -7.223 6.659
98 2HG1 VAL 20 2HG1 VAL 20 110.059 -6.333 5.564
99 3HG1 VAL 20 3HG1 VAL 20 108.966 -7.568 4.930
100 1HG2 VAL 20 1HG2 VAL 20 107.593 -5.232 7.526
101 2HG2 VAL 20 2HG2 VAL 20 107.540 -3.877 6.398
102 3HG2 VAL 20 3HG2 VAL 20 109.090 -4.546 6.896
103 H VAL 21 H VAL 21 110.031 -6.544 3.360
104 HA VAL 21 HA VAL 21 108.552 -7.386 0.974
105 HB VAL 21 HB VAL 21 111.475 -7.721 1.631
106 1HG1 VAL 21 1HG1 VAL 21 111.141 -9.334 0.039
107 2HG1 VAL 21 2HG1 VAL 21 111.450 -7.936 -0.993
108 3HG1 VAL 21 3HG1 VAL 21 109.794 -8.474 -0.709
109 1HG2 VAL 21 1HG2 VAL 21 110.825 -5.376 1.428
110 2HG2 VAL 21 2HG2 VAL 21 110.122 -5.708 -0.151
111 3HG2 VAL 21 3HG2 VAL 21 111.858 -5.880 0.092
112 H THR 22 H THR 22 110.937 -9.025 3.082
113 HA THR 22 HA THR 22 109.423 -11.507 2.672
114 HB THR 22 HB THR 22 112.299 -11.054 3.459
115 HG1 THR 22 HG1 THR 22 112.737 -11.754 1.430
116 1HG2 THR 22 1HG2 THR 22 112.420 -13.129 4.204
117 2HG2 THR 22 2HG2 THR 22 111.902 -13.705 2.619
118 3HG2 THR 22 3HG2 THR 22 110.705 -13.379 3.873
119 H ASN 23 H ASN 23 111.471 -10.189 5.257
120 HA ASN 23 HA ASN 23 110.860 -11.751 7.325
121 1HB ASN 23 1HB ASN 23 111.078 -9.686 8.822
122 2HB ASN 23 2HB ASN 23 112.419 -10.065 7.743
123 1HD2 ASN 23 1HD2 ASN 23 112.456 -8.874 5.659
124 2HD2 ASN 23 2HD2 ASN 23 111.909 -7.239 5.656
125 H LYS 24 H LYS 24 108.557 -9.490 5.947
126 HA LYS 24 HA LYS 24 106.651 -10.306 8.048
127 1HB LYS 24 1HB LYS 24 107.188 -7.689 6.837
128 2HB LYS 24 2HB LYS 24 105.481 -8.105 6.907
129 1HG LYS 24 1HG LYS 24 105.687 -7.107 8.926
130 2HG LYS 24 2HG LYS 24 106.126 -8.751 9.393
131 1HD LYS 24 1HD LYS 24 108.252 -6.868 8.472
132 2HD LYS 24 2HD LYS 24 107.619 -6.725 10.112
133 1HE LYS 24 1HE LYS 24 108.064 -9.440 9.802
134 2HE LYS 24 2HE LYS 24 109.431 -8.690 8.978
135 1HZ LYS 24 1HZ LYS 24 108.703 -7.639 11.605
136 2HZ LYS 24 2HZ LYS 24 110.229 -7.817 10.897
137 3HZ LYS 24 3HZ LYS 24 109.442 -9.161 11.558
138 H GLY 25 H GLY 25 107.306 -11.675 5.514
139 1HA GLY 25 1HA GLY 25 105.260 -12.974 4.671
140 2HA GLY 25 2HA GLY 25 104.748 -11.401 4.079
141 H ARG 26 H ARG 26 105.134 -11.086 1.996
142 HA ARG 26 HA ARG 26 107.679 -11.821 0.858
143 1HB ARG 26 1HB ARG 26 106.725 -13.086 -0.998
144 2HB ARG 26 2HB ARG 26 106.429 -13.884 0.529
145 1HG ARG 26 1HG ARG 26 104.426 -12.238 -1.007
146 2HG ARG 26 2HG ARG 26 104.511 -13.996 -0.986
147 1HD ARG 26 1HD ARG 26 103.857 -12.160 1.309
148 2HD ARG 26 2HD ARG 26 102.802 -13.334 0.534
149 HE ARG 26 HE ARG 26 105.193 -14.398 1.790
150 1HH1 ARG 26 1HH1 ARG 26 101.778 -13.731 2.084
151 2HH1 ARG 26 2HH1 ARG 26 101.538 -14.884 3.352
152 1HH2 ARG 26 1HH2 ARG 26 104.876 -15.909 3.460
153 2HH2 ARG 26 2HH2 ARG 26 103.295 -16.118 4.135
154 H THR 27 H THR 27 104.388 -10.698 0.070
155 HA THR 27 HA THR 27 105.584 -8.387 -1.222
156 HB THR 27 HB THR 27 103.781 -10.415 -2.432
157 HG1 THR 27 HG1 THR 27 106.036 -10.001 -3.001
158 1HG2 THR 27 1HG2 THR 27 102.237 -8.743 -2.710
159 2HG2 THR 27 2HG2 THR 27 103.185 -8.646 -4.192
160 3HG2 THR 27 3HG2 THR 27 103.457 -7.485 -2.891
161 H LYS 28 H LYS 28 102.207 -9.416 -1.038
162 HA LYS 28 HA LYS 28 100.371 -8.312 -0.245
163 1HB LYS 28 1HB LYS 28 102.309 -8.431 2.040
164 2HB LYS 28 2HB LYS 28 100.647 -7.890 2.246
165 1HG LYS 28 1HG LYS 28 100.792 -10.201 2.847
166 2HG LYS 28 2HG LYS 28 99.868 -10.055 1.350
167 1HD LYS 28 1HD LYS 28 102.711 -10.363 0.841
168 2HD LYS 28 2HD LYS 28 102.059 -11.698 1.799
169 1HE LYS 28 1HE LYS 28 100.743 -10.718 -0.723
170 2HE LYS 28 2HE LYS 28 101.988 -11.966 -0.726
171 1HZ LYS 28 1HZ LYS 28 100.293 -13.365 -0.438
172 2HZ LYS 28 2HZ LYS 28 99.218 -12.143 0.019
173 3HZ LYS 28 3HZ LYS 28 100.253 -12.830 1.166
174 H LEU 29 H LEU 29 102.573 -6.523 -1.390
175 HA LEU 29 HA LEU 29 102.757 -4.156 0.040
176 1HB LEU 29 1HB LEU 29 103.148 -5.034 -2.732
177 2HB LEU 29 2HB LEU 29 102.905 -3.319 -2.519
178 HG LEU 29 HG LEU 29 105.214 -3.671 -2.550
179 1HD1 LEU 29 1HD1 LEU 29 104.404 -3.457 0.350
180 2HD1 LEU 29 2HD1 LEU 29 104.475 -2.124 -0.800
181 3HD1 LEU 29 3HD1 LEU 29 105.950 -2.966 -0.332
182 1HD2 LEU 29 1HD2 LEU 29 104.764 -6.178 -1.850
183 2HD2 LEU 29 2HD2 LEU 29 105.257 -5.554 -0.277
184 3HD2 LEU 29 3HD2 LEU 29 106.342 -5.417 -1.659
185 HA PRO 30 HA PRO 30 98.807 -2.172 -0.284
186 1HB PRO 30 1HB PRO 30 100.382 0.314 -0.672
187 2HB PRO 30 2HB PRO 30 99.170 -0.067 0.560
188 1HG PRO 30 1HG PRO 30 101.784 0.042 1.148
189 2HG PRO 30 2HG PRO 30 100.700 -1.126 1.927
190 1HD PRO 30 1HD PRO 30 102.710 -1.556 -0.238
191 2HD PRO 30 2HD PRO 30 102.239 -2.624 1.097
192 HA PRO 31 HA PRO 31 98.101 -1.102 -4.531
193 1HB PRO 31 1HB PRO 31 97.201 1.647 -4.134
194 2HB PRO 31 2HB PRO 31 96.260 0.217 -4.575
195 1HG PRO 31 1HG PRO 31 96.037 1.436 -2.163
196 2HG PRO 31 2HG PRO 31 95.786 -0.304 -2.389
197 1HD PRO 31 1HD PRO 31 98.184 1.144 -1.329
198 2HD PRO 31 2HD PRO 31 97.439 -0.366 -0.764
199 H GLY 32 H GLY 32 99.976 -0.973 -5.687
200 1HA GLY 32 1HA GLY 32 101.254 0.330 -7.204
201 2HA GLY 32 2HA GLY 32 101.013 1.726 -6.171
202 H VAL 33 H VAL 33 102.268 -1.510 -5.330
203 HA VAL 33 HA VAL 33 104.899 -0.319 -4.864
204 HB VAL 33 HB VAL 33 104.368 -2.188 -2.778
205 1HG1 VAL 33 1HG1 VAL 33 105.656 -0.786 -1.604
206 2HG1 VAL 33 2HG1 VAL 33 104.803 0.647 -2.175
207 3HG1 VAL 33 3HG1 VAL 33 106.007 -0.131 -3.199
208 1HG2 VAL 33 1HG2 VAL 33 102.249 -1.697 -2.254
209 2HG2 VAL 33 2HG2 VAL 33 102.237 -0.250 -3.261
210 3HG2 VAL 33 3HG2 VAL 33 102.917 -0.188 -1.639
211 H ASP 34 H ASP 34 106.460 -1.450 -5.676
212 HA ASP 34 HA ASP 34 106.176 -4.362 -5.908
213 1HB ASP 34 1HB ASP 34 105.695 -3.259 -8.103
214 2HB ASP 34 2HB ASP 34 107.325 -2.585 -8.071
215 H ARG 35 H ARG 35 108.110 -5.525 -5.772
216 HA ARG 35 HA ARG 35 110.015 -4.570 -4.007
217 1HB ARG 35 1HB ARG 35 109.626 -6.967 -5.608
218 2HB ARG 35 2HB ARG 35 111.327 -6.582 -5.394
219 1HG ARG 35 1HG ARG 35 110.873 -7.958 -3.596
220 2HG ARG 35 2HG ARG 35 110.732 -6.340 -2.899
221 1HD ARG 35 1HD ARG 35 108.785 -7.145 -2.101
222 2HD ARG 35 2HD ARG 35 108.190 -6.728 -3.706
223 HE ARG 35 HE ARG 35 108.768 -9.403 -2.685
224 1HH1 ARG 35 1HH1 ARG 35 107.758 -7.404 -5.370
225 2HH1 ARG 35 2HH1 ARG 35 107.124 -8.734 -6.275
226 1HH2 ARG 35 1HH2 ARG 35 107.931 -11.143 -3.881
227 2HH2 ARG 35 2HH2 ARG 35 107.219 -10.853 -5.433
228 H MET 36 H MET 36 109.830 -4.070 -7.413
229 HA MET 36 HA MET 36 112.485 -3.778 -8.126
230 1HB MET 36 1HB MET 36 111.602 -2.045 -9.779
231 2HB MET 36 2HB MET 36 110.915 -3.660 -9.862
232 1HG MET 36 1HG MET 36 108.881 -2.995 -9.096
233 2HG MET 36 2HG MET 36 109.541 -1.637 -8.183
234 1HE MET 36 1HE MET 36 111.164 -0.150 -9.580
235 2HE MET 36 2HE MET 36 110.101 1.101 -10.222
236 3HE MET 36 3HE MET 36 111.045 0.096 -11.322
237 H ARG 37 H ARG 37 110.406 -1.525 -6.392
238 HA ARG 37 HA ARG 37 112.759 -0.067 -5.520
239 1HB ARG 37 1HB ARG 37 111.430 2.129 -6.024
240 2HB ARG 37 2HB ARG 37 112.404 1.379 -7.276
241 1HG ARG 37 1HG ARG 37 110.468 1.852 -8.411
242 2HG ARG 37 2HG ARG 37 110.181 0.184 -7.914
243 1HD ARG 37 1HD ARG 37 108.689 0.807 -6.244
244 2HD ARG 37 2HD ARG 37 109.294 2.462 -6.188
245 HE ARG 37 HE ARG 37 107.876 3.010 -7.908
246 1HH1 ARG 37 1HH1 ARG 37 108.039 -0.464 -7.622
247 2HH1 ARG 37 2HH1 ARG 37 106.740 -0.742 -8.732
248 1HH2 ARG 37 1HH2 ARG 37 106.166 2.646 -9.367
249 2HH2 ARG 37 2HH2 ARG 37 105.676 1.024 -9.722
250 H LEU 38 H LEU 38 111.485 -1.629 -3.870
251 HA LEU 38 HA LEU 38 109.244 -0.435 -2.577
252 1HB LEU 38 1HB LEU 38 111.010 -2.773 -2.084
253 2HB LEU 38 2HB LEU 38 110.081 -2.149 -0.725
254 HG LEU 38 HG LEU 38 108.912 -3.041 -3.362
255 1HD1 LEU 38 1HD1 LEU 38 108.669 -4.391 -0.689
256 2HD1 LEU 38 2HD1 LEU 38 109.875 -4.847 -1.894
257 3HD1 LEU 38 3HD1 LEU 38 108.158 -4.991 -2.266
258 1HD2 LEU 38 1HD2 LEU 38 106.779 -2.855 -2.125
259 2HD2 LEU 38 2HD2 LEU 38 107.581 -1.314 -2.399
260 3HD2 LEU 38 3HD2 LEU 38 107.653 -2.075 -0.810
261 H GLU 39 H GLU 39 112.700 -0.284 -2.163
262 HA GLU 39 HA GLU 39 112.600 1.015 0.375
263 1HB GLU 39 1HB GLU 39 115.048 1.526 -0.191
264 2HB GLU 39 2HB GLU 39 114.589 -0.153 0.032
265 1HG GLU 39 1HG GLU 39 116.084 0.132 -1.856
266 2HG GLU 39 2HG GLU 39 114.515 -0.478 -2.366
267 H ARG 40 H ARG 40 111.410 2.075 -2.378
268 HA ARG 40 HA ARG 40 112.355 4.835 -1.991
269 1HB ARG 40 1HB ARG 40 112.491 3.329 -4.299
270 2HB ARG 40 2HB ARG 40 111.020 4.261 -4.532
271 1HG ARG 40 1HG ARG 40 113.130 5.944 -3.539
272 2HG ARG 40 2HG ARG 40 113.650 5.080 -4.986
273 1HD ARG 40 1HD ARG 40 111.008 5.989 -5.445
274 2HD ARG 40 2HD ARG 40 111.920 7.338 -4.768
275 HE ARG 40 HE ARG 40 113.350 6.009 -6.848
276 1HH1 ARG 40 1HH1 ARG 40 110.831 8.343 -6.226
277 2HH1 ARG 40 2HH1 ARG 40 111.052 9.168 -7.733
278 1HH2 ARG 40 1HH2 ARG 40 113.642 7.093 -8.830
279 2HH2 ARG 40 2HH2 ARG 40 112.647 8.459 -9.212
280 H HIS 41 H HIS 41 109.843 2.703 -1.602
281 HA HIS 41 HA HIS 41 107.704 4.629 -2.011
282 1HB HIS 41 1HB HIS 41 107.903 1.688 -1.572
283 2HB HIS 41 2HB HIS 41 106.427 2.495 -1.070
284 HD1 HIS 41 HD1 HIS 41 105.232 3.934 -3.075
285 HD2 HIS 41 HD2 HIS 41 107.959 1.006 -4.187
286 HE1 HIS 41 HE1 HIS 41 104.762 3.461 -5.500
287 HE2 HIS 41 HE2 HIS 41 106.348 1.608 -6.116
288 H LEU 42 H LEU 42 109.856 3.875 0.411
289 HA LEU 42 HA LEU 42 108.054 4.075 2.645
290 1HB LEU 42 1HB LEU 42 111.066 4.088 2.467
291 2HB LEU 42 2HB LEU 42 110.149 4.039 3.966
292 HG LEU 42 HG LEU 42 109.312 1.920 2.185
293 1HD1 LEU 42 1HD1 LEU 42 111.949 2.445 1.796
294 2HD1 LEU 42 2HD1 LEU 42 111.197 0.858 1.625
295 3HD1 LEU 42 3HD1 LEU 42 112.011 1.290 3.133
296 1HD2 LEU 42 1HD2 LEU 42 108.869 2.040 4.571
297 2HD2 LEU 42 2HD2 LEU 42 110.599 1.935 4.899
298 3HD2 LEU 42 3HD2 LEU 42 109.756 0.575 4.154
299 H SER 43 H SER 43 107.830 5.788 4.022
300 HA SER 43 HA SER 43 108.152 8.385 2.923
301 1HB SER 43 1HB SER 43 106.295 8.091 4.366
302 2HB SER 43 2HB SER 43 107.296 7.381 5.637
303 HG SER 43 HG SER 43 107.086 10.075 4.835
304 H ALA 44 H ALA 44 109.281 10.174 4.018
305 HA ALA 44 HA ALA 44 111.998 9.824 4.163
306 1HB ALA 44 1HB ALA 44 110.183 11.912 5.294
307 2HB ALA 44 2HB ALA 44 111.350 12.034 3.977
308 3HB ALA 44 3HB ALA 44 111.910 11.961 5.647
309 H GLU 45 H GLU 45 109.631 9.281 6.648
310 HA GLU 45 HA GLU 45 111.548 9.056 8.785
311 1HB GLU 45 1HB GLU 45 109.387 7.782 9.783
312 2HB GLU 45 2HB GLU 45 109.581 9.526 9.811
313 1HG GLU 45 1HG GLU 45 108.069 9.855 8.089
314 2HG GLU 45 2HG GLU 45 108.220 8.198 7.507
315 H ASP 46 H ASP 46 109.416 6.747 7.134
316 HA ASP 46 HA ASP 46 110.440 4.421 8.232
317 1HB ASP 46 1HB ASP 46 109.208 4.911 5.517
318 2HB ASP 46 2HB ASP 46 109.559 3.303 6.152
319 H PHE 47 H PHE 47 111.511 6.189 5.345
320 HA PHE 47 HA PHE 47 113.461 4.286 4.590
321 1HB PHE 47 1HB PHE 47 112.378 6.174 3.197
322 2HB PHE 47 2HB PHE 47 113.620 7.207 3.912
323 HD1 PHE 47 HD1 PHE 47 113.579 3.738 2.598
324 HD2 PHE 47 HD2 PHE 47 115.303 7.618 2.428
325 HE1 PHE 47 HE1 PHE 47 115.203 2.940 0.912
326 HE2 PHE 47 HE2 PHE 47 116.926 6.838 0.746
327 HZ PHE 47 HZ PHE 47 116.874 4.499 -0.010
328 H SER 48 H SER 48 113.880 7.551 5.961
329 HA SER 48 HA SER 48 116.613 7.318 6.461
330 1HB SER 48 1HB SER 48 116.417 9.317 7.737
331 2HB SER 48 2HB SER 48 115.191 9.428 6.474
332 HG SER 48 HG SER 48 114.833 8.792 9.208
333 H ARG 49 H ARG 49 113.985 5.852 8.147
334 HA ARG 49 HA ARG 49 115.552 5.551 10.587
335 1HB ARG 49 1HB ARG 49 113.612 4.766 11.649
336 2HB ARG 49 2HB ARG 49 113.052 6.044 10.583
337 1HG ARG 49 1HG ARG 49 112.258 4.418 8.989
338 2HG ARG 49 2HG ARG 49 112.911 3.102 9.964
339 1HD ARG 49 1HD ARG 49 111.407 4.210 11.829
340 2HD ARG 49 2HD ARG 49 110.523 4.817 10.426
341 HE ARG 49 HE ARG 49 110.852 2.126 9.979
342 1HH1 ARG 49 1HH1 ARG 49 109.386 4.096 12.460
343 2HH1 ARG 49 2HH1 ARG 49 108.190 2.912 12.868
344 1HH2 ARG 49 1HH2 ARG 49 109.278 0.568 10.515
345 2HH2 ARG 49 2HH2 ARG 49 108.128 0.910 11.764
346 H VAL 50 H VAL 50 114.668 3.744 7.760
347 HA VAL 50 HA VAL 50 115.673 1.253 8.936
348 HB VAL 50 HB VAL 50 114.532 1.636 6.165
349 1HG1 VAL 50 1HG1 VAL 50 114.654 -0.604 5.892
350 2HG1 VAL 50 2HG1 VAL 50 114.391 -0.941 7.602
351 3HG1 VAL 50 3HG1 VAL 50 115.981 -0.430 7.041
352 1HG2 VAL 50 1HG2 VAL 50 112.417 1.270 6.886
353 2HG2 VAL 50 2HG2 VAL 50 113.042 2.096 8.315
354 3HG2 VAL 50 3HG2 VAL 50 112.933 0.336 8.289
355 H PHE 51 H PHE 51 116.464 3.710 6.590
356 HA PHE 51 HA PHE 51 118.889 2.217 5.847
357 1HB PHE 51 1HB PHE 51 117.359 4.352 4.363
358 2HB PHE 51 2HB PHE 51 118.925 3.729 3.849
359 HD1 PHE 51 HD1 PHE 51 119.155 1.464 3.044
360 HD2 PHE 51 HD2 PHE 51 115.359 3.061 4.086
361 HE1 PHE 51 HE1 PHE 51 118.055 -0.359 1.806
362 HE2 PHE 51 HE2 PHE 51 114.248 1.243 2.851
363 HZ PHE 51 HZ PHE 51 115.605 -0.466 1.706
364 H ALA 52 H ALA 52 117.691 5.232 7.139
365 HA ALA 52 HA ALA 52 118.769 6.907 8.271
366 1HB ALA 52 1HB ALA 52 120.767 4.803 8.232
367 2HB ALA 52 2HB ALA 52 120.358 5.950 9.506
368 3HB ALA 52 3HB ALA 52 121.481 6.413 8.228
369 H MET 53 H MET 53 118.962 6.246 5.131
370 HA MET 53 HA MET 53 120.692 8.531 4.459
371 1HB MET 53 1HB MET 53 121.030 7.541 2.337
372 2HB MET 53 2HB MET 53 121.256 6.283 3.547
373 1HG MET 53 1HG MET 53 118.707 5.828 3.064
374 2HG MET 53 2HG MET 53 119.094 6.619 1.534
375 1HE MET 53 1HE MET 53 122.133 5.015 2.981
376 2HE MET 53 2HE MET 53 122.210 5.676 1.341
377 3HE MET 53 3HE MET 53 122.486 3.949 1.616
378 H SER 54 H SER 54 119.995 9.334 2.182
379 HA SER 54 HA SER 54 117.285 10.359 2.496
380 1HB SER 54 1HB SER 54 119.703 11.169 0.890
381 2HB SER 54 2HB SER 54 118.105 11.840 0.532
382 HG SER 54 HG SER 54 118.343 13.116 2.177
383 HA PRO 55 HA PRO 55 115.534 7.692 -0.609
384 1HB PRO 55 1HB PRO 55 114.224 10.195 -1.570
385 2HB PRO 55 2HB PRO 55 113.502 8.629 -1.184
386 1HG PRO 55 1HG PRO 55 113.255 10.707 0.478
387 2HG PRO 55 2HG PRO 55 113.465 9.054 1.091
388 1HD PRO 55 1HD PRO 55 115.418 11.301 0.987
389 2HD PRO 55 2HD PRO 55 115.265 9.987 2.174
390 H GLU 56 H GLU 56 117.098 10.725 -1.267
391 HA GLU 56 HA GLU 56 117.471 10.180 -4.083
392 1HB GLU 56 1HB GLU 56 117.190 12.462 -3.694
393 2HB GLU 56 2HB GLU 56 118.162 12.433 -2.226
394 1HG GLU 56 1HG GLU 56 120.095 12.741 -3.335
395 2HG GLU 56 2HG GLU 56 119.580 11.784 -4.727
396 H GLU 57 H GLU 57 119.158 9.684 -1.080
397 HA GLU 57 HA GLU 57 121.779 9.510 -2.088
398 1HB GLU 57 1HB GLU 57 120.397 8.814 0.435
399 2HB GLU 57 2HB GLU 57 121.770 7.789 0.051
400 1HG GLU 57 1HG GLU 57 122.713 10.330 -0.444
401 2HG GLU 57 2HG GLU 57 121.698 10.525 0.984
402 H PHE 58 H PHE 58 119.249 7.069 -1.534
403 HA PHE 58 HA PHE 58 120.569 4.750 -2.242
404 1HB PHE 58 1HB PHE 58 117.949 5.447 -1.758
405 2HB PHE 58 2HB PHE 58 117.895 4.959 -3.452
406 HD1 PHE 58 HD1 PHE 58 118.763 3.867 -0.063
407 HD2 PHE 58 HD2 PHE 58 118.053 2.688 -4.072
408 HE1 PHE 58 HE1 PHE 58 118.738 1.526 0.657
409 HE2 PHE 58 HE2 PHE 58 118.006 0.324 -3.370
410 HZ PHE 58 HZ PHE 58 118.348 -0.264 -0.997
411 H GLY 59 H GLY 59 118.577 6.612 -4.551
412 1HA GLY 59 1HA GLY 59 119.318 5.331 -6.865
413 2HA GLY 59 2HA GLY 59 118.879 7.030 -6.796
414 H LYS 60 H LYS 60 121.207 7.578 -4.996
415 HA LYS 60 HA LYS 60 123.171 7.899 -7.122
416 1HB LYS 60 1HB LYS 60 122.953 9.049 -4.340
417 2HB LYS 60 2HB LYS 60 124.343 9.325 -5.387
418 1HG LYS 60 1HG LYS 60 121.571 9.962 -6.320
419 2HG LYS 60 2HG LYS 60 122.478 11.092 -5.307
420 1HD LYS 60 1HD LYS 60 123.548 9.941 -7.878
421 2HD LYS 60 2HD LYS 60 122.667 11.467 -7.791
422 1HE LYS 60 1HE LYS 60 124.493 11.871 -5.856
423 2HE LYS 60 2HE LYS 60 125.408 10.797 -6.916
424 1HZ LYS 60 1HZ LYS 60 124.134 13.367 -7.687
425 2HZ LYS 60 2HZ LYS 60 124.913 12.319 -8.761
426 3HZ LYS 60 3HZ LYS 60 125.793 13.074 -7.530
427 H LEU 61 H LEU 61 122.545 5.644 -4.749
428 HA LEU 61 HA LEU 61 125.200 5.083 -3.906
429 1HB LEU 61 1HB LEU 61 122.636 3.484 -3.723
430 2HB LEU 61 2HB LEU 61 124.121 3.086 -2.888
431 HG LEU 61 HG LEU 61 122.326 5.432 -2.393
432 1HD1 LEU 61 1HD1 LEU 61 123.288 3.652 -0.254
433 2HD1 LEU 61 2HD1 LEU 61 122.150 2.959 -1.408
434 3HD1 LEU 61 3HD1 LEU 61 121.707 4.399 -0.492
435 1HD2 LEU 61 1HD2 LEU 61 125.192 5.069 -1.792
436 2HD2 LEU 61 2HD2 LEU 61 124.181 5.674 -0.480
437 3HD2 LEU 61 3HD2 LEU 61 124.256 6.548 -2.009
438 H ALA 62 H ALA 62 124.778 2.166 -4.227
439 HA ALA 62 HA ALA 62 125.324 1.889 -7.102
440 1HB ALA 62 1HB ALA 62 126.784 0.342 -4.982
441 2HB ALA 62 2HB ALA 62 127.390 1.852 -5.663
442 3HB ALA 62 3HB ALA 62 127.154 0.445 -6.702
443 H LEU 63 H LEU 63 125.410 -0.589 -7.654
444 HA LEU 63 HA LEU 63 122.800 -1.617 -7.112
445 1HB LEU 63 1HB LEU 63 124.177 -1.861 -9.245
446 2HB LEU 63 2HB LEU 63 125.058 -3.123 -8.402
447 HG LEU 63 HG LEU 63 122.208 -3.570 -8.208
448 1HD1 LEU 63 1HD1 LEU 63 121.730 -4.035 -10.524
449 2HD1 LEU 63 2HD1 LEU 63 123.338 -3.490 -11.000
450 3HD1 LEU 63 3HD1 LEU 63 122.175 -2.338 -10.342
451 1HD2 LEU 63 1HD2 LEU 63 123.984 -5.353 -9.761
452 2HD2 LEU 63 2HD2 LEU 63 122.831 -5.729 -8.481
453 3HD2 LEU 63 3HD2 LEU 63 124.415 -5.068 -8.074
454 H TRP 64 H TRP 64 125.964 -2.161 -5.786
455 HA TRP 64 HA TRP 64 125.212 -4.604 -4.451
456 1HB TRP 64 1HB TRP 64 127.521 -4.306 -3.455
457 2HB TRP 64 2HB TRP 64 127.478 -4.449 -5.218
458 HD1 TRP 64 HD1 TRP 64 128.378 -2.411 -6.587
459 HE1 TRP 64 HE1 TRP 64 129.397 -0.144 -5.943
460 HE3 TRP 64 HE3 TRP 64 127.215 -2.469 -1.734
461 HZ2 TRP 64 HZ2 TRP 64 129.668 1.419 -3.554
462 HZ3 TRP 64 HZ3 TRP 64 127.884 -0.551 -0.298
463 HH2 TRP 64 HH2 TRP 64 129.068 1.346 -1.204
464 H LYS 65 H LYS 65 125.562 -1.208 -3.913
465 HA LYS 65 HA LYS 65 125.310 -1.262 -1.069
466 1HB LYS 65 1HB LYS 65 126.100 0.657 -2.734
467 2HB LYS 65 2HB LYS 65 124.399 1.107 -2.640
468 1HG LYS 65 1HG LYS 65 124.521 1.553 -0.352
469 2HG LYS 65 2HG LYS 65 126.037 0.664 -0.167
470 1HD LYS 65 1HD LYS 65 127.258 2.358 -1.315
471 2HD LYS 65 2HD LYS 65 125.773 3.172 -1.817
472 1HE LYS 65 1HE LYS 65 125.599 4.279 0.119
473 2HE LYS 65 2HE LYS 65 125.975 2.837 1.072
474 1HZ LYS 65 1HZ LYS 65 127.825 4.014 1.528
475 2HZ LYS 65 2HZ LYS 65 127.738 4.945 0.118
476 3HZ LYS 65 3HZ LYS 65 128.364 3.375 0.057
477 H ARG 66 H ARG 66 123.019 -0.200 -3.600
478 HA ARG 66 HA ARG 66 120.734 0.066 -2.108
479 1HB ARG 66 1HB ARG 66 121.002 -1.102 -4.884
480 2HB ARG 66 2HB ARG 66 119.484 -0.579 -4.171
481 1HG ARG 66 1HG ARG 66 120.345 1.695 -4.004
482 2HG ARG 66 2HG ARG 66 121.866 1.163 -4.721
483 1HD ARG 66 1HD ARG 66 119.360 0.563 -6.195
484 2HD ARG 66 2HD ARG 66 119.914 2.243 -6.171
485 HE ARG 66 HE ARG 66 122.135 0.889 -6.882
486 1HH1 ARG 66 1HH1 ARG 66 118.862 0.856 -8.093
487 2HH1 ARG 66 2HH1 ARG 66 119.331 0.453 -9.710
488 1HH2 ARG 66 1HH2 ARG 66 122.754 0.359 -9.009
489 2HH2 ARG 66 2HH2 ARG 66 121.540 0.171 -10.230
490 H ASN 67 H ASN 67 122.075 -2.855 -3.531
491 HA ASN 67 HA ASN 67 120.050 -4.647 -2.774
492 1HB ASN 67 1HB ASN 67 122.867 -4.853 -3.632
493 2HB ASN 67 2HB ASN 67 122.282 -6.213 -2.672
494 1HD2 ASN 67 1HD2 ASN 67 121.437 -4.204 -5.462
495 2HD2 ASN 67 2HD2 ASN 67 120.684 -5.471 -6.365
496 H GLU 68 H GLU 68 123.235 -4.390 -1.204
497 HA GLU 68 HA GLU 68 122.789 -5.800 1.063
498 1HB GLU 68 1HB GLU 68 124.440 -3.323 0.624
499 2HB GLU 68 2HB GLU 68 124.436 -4.175 2.163
500 1HG GLU 68 1HG GLU 68 125.305 -6.156 1.141
501 2HG GLU 68 2HG GLU 68 125.140 -5.452 -0.467
502 H LEU 69 H LEU 69 121.972 -2.372 0.551
503 HA LEU 69 HA LEU 69 121.029 -1.890 3.161
504 1HB LEU 69 1HB LEU 69 119.971 -0.600 0.657
505 2HB LEU 69 2HB LEU 69 119.959 0.045 2.286
506 HG LEU 69 HG LEU 69 122.560 -0.583 1.056
507 1HD1 LEU 69 1HD1 LEU 69 122.583 1.112 -0.419
508 2HD1 LEU 69 2HD1 LEU 69 121.546 2.129 0.584
509 3HD1 LEU 69 3HD1 LEU 69 120.839 0.857 -0.412
510 1HD2 LEU 69 1HD2 LEU 69 123.402 0.796 2.641
511 2HD2 LEU 69 2HD2 LEU 69 121.895 0.382 3.459
512 3HD2 LEU 69 3HD2 LEU 69 122.025 1.895 2.563
513 H LYS 70 H LYS 70 119.161 -2.400 0.195
514 HA LYS 70 HA LYS 70 116.647 -2.833 1.326
515 1HB LYS 70 1HB LYS 70 118.011 -3.648 -1.186
516 2HB LYS 70 2HB LYS 70 116.558 -4.538 -0.755
517 1HG LYS 70 1HG LYS 70 115.244 -2.545 -0.773
518 2HG LYS 70 2HG LYS 70 116.687 -1.540 -0.956
519 1HD LYS 70 1HD LYS 70 115.942 -1.624 -3.129
520 2HD LYS 70 2HD LYS 70 117.048 -2.999 -3.106
521 1HE LYS 70 1HE LYS 70 115.043 -3.708 -4.183
522 2HE LYS 70 2HE LYS 70 115.087 -4.462 -2.590
523 1HZ LYS 70 1HZ LYS 70 113.566 -1.996 -3.241
524 2HZ LYS 70 2HZ LYS 70 113.534 -2.845 -1.777
525 3HZ LYS 70 3HZ LYS 70 112.894 -3.548 -3.176
526 H LYS 71 H LYS 71 119.464 -4.819 1.211
527 HA LYS 71 HA LYS 71 118.156 -7.259 1.972
528 1HB LYS 71 1HB LYS 71 120.995 -6.391 1.472
529 2HB LYS 71 2HB LYS 71 120.648 -7.963 2.206
530 1HG LYS 71 1HG LYS 71 119.401 -8.648 0.286
531 2HG LYS 71 2HG LYS 71 119.491 -7.026 -0.407
532 1HD LYS 71 1HD LYS 71 121.586 -7.343 -1.185
533 2HD LYS 71 2HD LYS 71 122.087 -8.247 0.245
534 1HE LYS 71 1HE LYS 71 120.333 -9.981 -0.899
535 2HE LYS 71 2HE LYS 71 121.023 -9.200 -2.322
536 1HZ LYS 71 1HZ LYS 71 123.224 -9.692 -0.915
537 2HZ LYS 71 2HZ LYS 71 122.588 -10.773 -2.049
538 3HZ LYS 71 3HZ LYS 71 122.266 -10.990 -0.403
539 H LYS 72 H LYS 72 119.868 -4.662 3.593
540 HA LYS 72 HA LYS 72 119.846 -6.140 6.102
541 1HB LYS 72 1HB LYS 72 121.347 -4.526 6.966
542 2HB LYS 72 2HB LYS 72 121.889 -4.857 5.327
543 1HG LYS 72 1HG LYS 72 122.021 -2.596 5.299
544 2HG LYS 72 2HG LYS 72 120.338 -2.778 4.790
545 1HD LYS 72 1HD LYS 72 120.186 -2.792 7.549
546 2HD LYS 72 2HD LYS 72 121.439 -1.597 7.211
547 1HE LYS 72 1HE LYS 72 118.872 -1.546 5.681
548 2HE LYS 72 2HE LYS 72 118.937 -0.875 7.310
549 1HZ LYS 72 1HZ LYS 72 121.071 -0.029 5.547
550 2HZ LYS 72 2HZ LYS 72 120.135 0.876 6.627
551 3HZ LYS 72 3HZ LYS 72 119.528 0.498 5.094
552 H ALA 73 H ALA 73 118.203 -3.645 4.427
553 HA ALA 73 HA ALA 73 116.970 -2.442 6.724
554 1HB ALA 73 1HB ALA 73 117.220 -1.882 3.927
555 2HB ALA 73 2HB ALA 73 116.742 -0.807 5.238
556 3HB ALA 73 3HB ALA 73 115.527 -1.777 4.406
557 H GLU 74 H GLU 74 116.560 -5.377 5.345
558 HA GLU 74 HA GLU 74 115.002 -6.997 5.607
559 1HB GLU 74 1HB GLU 74 114.110 -4.959 7.476
560 2HB GLU 74 2HB GLU 74 112.761 -5.865 6.807
561 1HG GLU 74 1HG GLU 74 113.726 -7.938 7.550
562 2HG GLU 74 2HG GLU 74 115.184 -7.106 8.087
563 H LEU 75 H LEU 75 115.086 -5.122 3.352
564 HA LEU 75 HA LEU 75 112.611 -5.965 2.172
565 1HB LEU 75 1HB LEU 75 112.660 -3.389 1.210
566 2HB LEU 75 2HB LEU 75 111.506 -4.065 2.348
567 HG LEU 75 HG LEU 75 113.508 -3.282 4.003
568 1HD1 LEU 75 1HD1 LEU 75 114.884 -2.154 2.486
569 2HD1 LEU 75 2HD1 LEU 75 113.912 -0.876 3.221
570 3HD1 LEU 75 3HD1 LEU 75 113.509 -1.477 1.608
571 1HD2 LEU 75 1HD2 LEU 75 112.010 -1.185 4.224
572 2HD2 LEU 75 2HD2 LEU 75 111.321 -2.776 4.551
573 3HD2 LEU 75 3HD2 LEU 75 111.013 -1.982 3.008
574 H PHE 76 H PHE 76 114.373 -7.259 1.243
575 HA PHE 76 HA PHE 76 115.334 -5.936 -1.212
576 1HB PHE 76 1HB PHE 76 117.396 -6.281 -0.295
577 2HB PHE 76 2HB PHE 76 116.838 -7.598 0.738
578 HD1 PHE 76 HD1 PHE 76 116.929 -9.874 -0.013
579 HD2 PHE 76 HD2 PHE 76 118.058 -6.691 -2.602
580 HE1 PHE 76 HE1 PHE 76 117.950 -11.496 -1.556
581 HE2 PHE 76 HE2 PHE 76 119.080 -8.308 -4.150
582 HZ PHE 76 HZ PHE 76 119.026 -10.714 -3.628
Start of MODEL 21
1 HT1 PRO 9 HT1 PRO 9 105.108 11.740 -12.173
2 HT2 PRO 9 HT2 PRO 9 105.864 10.417 -11.554
3 HA PRO 9 HA PRO 9 103.926 11.785 -10.505
4 1HB PRO 9 1HB PRO 9 102.496 9.275 -10.773
5 2HB PRO 9 2HB PRO 9 101.923 10.923 -11.061
6 1HG PRO 9 1HG PRO 9 102.340 9.123 -13.059
7 2HG PRO 9 2HG PRO 9 102.492 10.875 -13.277
8 1HD PRO 9 1HD PRO 9 104.645 8.825 -12.853
9 2HD PRO 9 2HD PRO 9 104.602 10.187 -13.989
10 H GLY 10 H GLY 10 104.206 11.443 -8.377
11 1HA GLY 10 1HA GLY 10 106.035 9.466 -7.468
12 2HA GLY 10 2HA GLY 10 105.093 10.544 -6.452
13 H LEU 11 H LEU 11 105.400 8.252 -5.368
14 HA LEU 11 HA LEU 11 102.959 6.721 -5.952
15 1HB LEU 11 1HB LEU 11 104.384 4.939 -4.562
16 2HB LEU 11 2HB LEU 11 104.430 5.054 -6.310
17 HG LEU 11 HG LEU 11 106.658 4.780 -5.252
18 1HD1 LEU 11 1HD1 LEU 11 105.965 6.294 -7.388
19 2HD1 LEU 11 2HD1 LEU 11 107.623 5.924 -6.912
20 3HD1 LEU 11 3HD1 LEU 11 106.887 7.452 -6.428
21 1HD2 LEU 11 1HD2 LEU 11 105.740 6.696 -3.463
22 2HD2 LEU 11 2HD2 LEU 11 106.963 7.531 -4.421
23 3HD2 LEU 11 3HD2 LEU 11 107.374 6.042 -3.571
24 H GLN 12 H GLN 12 102.071 5.562 -4.049
25 HA GLN 12 HA GLN 12 101.730 7.419 -1.889
26 1HB GLN 12 1HB GLN 12 100.447 5.147 -1.044
27 2HB GLN 12 2HB GLN 12 99.717 6.430 -1.999
28 1HG GLN 12 1HG GLN 12 101.105 4.169 -3.363
29 2HG GLN 12 2HG GLN 12 99.482 3.946 -2.716
30 1HE2 GLN 12 1HE2 GLN 12 100.519 3.989 -5.490
31 2HE2 GLN 12 2HE2 GLN 12 99.568 5.174 -6.311
32 H ILE 13 H ILE 13 102.695 7.473 0.008
33 HA ILE 13 HA ILE 13 104.731 5.478 0.614
34 HB ILE 13 HB ILE 13 104.148 8.007 2.143
35 1HG1 ILE 13 1HG1 ILE 13 104.608 8.295 -0.382
36 2HG1 ILE 13 2HG1 ILE 13 105.583 9.228 0.750
37 1HG2 ILE 13 1HG2 ILE 13 105.551 6.401 3.304
38 2HG2 ILE 13 2HG2 ILE 13 106.495 7.810 2.818
39 3HG2 ILE 13 3HG2 ILE 13 106.625 6.306 1.907
40 1HD1 ILE 13 1HD1 ILE 13 106.413 6.696 -0.646
41 2HD1 ILE 13 2HD1 ILE 13 107.388 7.586 0.524
42 3HD1 ILE 13 3HD1 ILE 13 106.959 8.332 -1.017
43 H TYR 14 H TYR 14 104.633 4.060 2.283
44 HA TYR 14 HA TYR 14 102.489 4.353 4.272
45 1HB TYR 14 1HB TYR 14 103.070 1.574 3.485
46 2HB TYR 14 2HB TYR 14 101.528 2.352 3.816
47 HD1 TYR 14 HD1 TYR 14 104.027 1.619 1.246
48 HD2 TYR 14 HD2 TYR 14 100.194 3.283 2.030
49 HE1 TYR 14 HE1 TYR 14 103.532 1.581 -1.157
50 HE2 TYR 14 HE2 TYR 14 99.686 3.252 -0.377
51 HH TYR 14 HH TYR 14 100.367 2.211 -2.387
52 HA PRO 15 HA PRO 15 105.283 3.161 7.503
53 1HB PRO 15 1HB PRO 15 104.353 0.590 8.211
54 2HB PRO 15 2HB PRO 15 103.880 2.125 8.950
55 1HG PRO 15 1HG PRO 15 102.495 0.516 6.867
56 2HG PRO 15 2HG PRO 15 101.810 1.531 8.149
57 1HD PRO 15 1HD PRO 15 101.827 2.339 5.603
58 2HD PRO 15 2HD PRO 15 102.108 3.488 6.929
59 H TYR 16 H TYR 16 106.895 1.405 8.153
60 HA TYR 16 HA TYR 16 108.130 0.428 5.735
61 1HB TYR 16 1HB TYR 16 109.716 1.369 7.135
62 2HB TYR 16 2HB TYR 16 108.968 0.717 8.593
63 HD1 TYR 16 HD1 TYR 16 111.241 0.022 5.809
64 HD2 TYR 16 HD2 TYR 16 109.428 -1.531 9.322
65 HE1 TYR 16 HE1 TYR 16 112.856 -1.831 5.796
66 HE2 TYR 16 HE2 TYR 16 111.039 -3.396 9.336
67 HH TYR 16 HH TYR 16 112.528 -4.549 7.951
68 H GLU 17 H GLU 17 107.452 -1.129 8.889
69 HA GLU 17 HA GLU 17 107.918 -3.735 8.298
70 1HB GLU 17 1HB GLU 17 105.998 -2.368 10.099
71 2HB GLU 17 2HB GLU 17 105.694 -4.072 9.789
72 1HG GLU 17 1HG GLU 17 108.120 -4.467 10.425
73 2HG GLU 17 2HG GLU 17 108.113 -2.809 11.034
74 H MET 18 H MET 18 105.070 -1.892 7.319
75 HA MET 18 HA MET 18 103.721 -4.177 6.215
76 1HB MET 18 1HB MET 18 103.267 -1.206 6.102
77 2HB MET 18 2HB MET 18 102.332 -2.299 5.091
78 1HG MET 18 1HG MET 18 102.324 -3.273 7.773
79 2HG MET 18 2HG MET 18 101.869 -1.566 7.769
80 1HE MET 18 1HE MET 18 100.850 -4.764 7.999
81 2HE MET 18 2HE MET 18 100.478 -5.266 6.351
82 3HE MET 18 3HE MET 18 99.173 -4.848 7.461
83 H LEU 19 H LEU 19 105.753 -1.579 5.017
84 HA LEU 19 HA LEU 19 105.488 -2.268 2.263
85 1HB LEU 19 1HB LEU 19 106.952 -0.318 3.904
86 2HB LEU 19 2HB LEU 19 107.726 -0.748 2.385
87 HG LEU 19 HG LEU 19 104.963 0.410 2.736
88 1HD1 LEU 19 1HD1 LEU 19 107.055 1.863 2.995
89 2HD1 LEU 19 2HD1 LEU 19 105.810 2.395 1.864
90 3HD1 LEU 19 3HD1 LEU 19 107.275 1.616 1.262
91 1HD2 LEU 19 1HD2 LEU 19 106.370 -0.792 0.402
92 2HD2 LEU 19 2HD2 LEU 19 105.260 0.556 0.151
93 3HD2 LEU 19 3HD2 LEU 19 104.685 -0.934 0.900
94 H VAL 20 H VAL 20 107.194 -3.711 4.780
95 HA VAL 20 HA VAL 20 109.668 -4.343 3.700
96 HB VAL 20 HB VAL 20 107.967 -6.198 5.371
97 1HG1 VAL 20 1HG1 VAL 20 110.810 -6.148 4.565
98 2HG1 VAL 20 2HG1 VAL 20 109.757 -7.518 4.927
99 3HG1 VAL 20 3HG1 VAL 20 110.456 -6.567 6.242
100 1HG2 VAL 20 1HG2 VAL 20 108.111 -3.964 6.353
101 2HG2 VAL 20 2HG2 VAL 20 109.865 -4.034 6.255
102 3HG2 VAL 20 3HG2 VAL 20 108.994 -5.151 7.305
103 H VAL 21 H VAL 21 110.419 -6.346 2.654
104 HA VAL 21 HA VAL 21 108.686 -6.995 0.444
105 HB VAL 21 HB VAL 21 111.426 -8.092 1.058
106 1HG1 VAL 21 1HG1 VAL 21 110.680 -9.462 -0.606
107 2HG1 VAL 21 2HG1 VAL 21 111.330 -8.139 -1.578
108 3HG1 VAL 21 3HG1 VAL 21 109.595 -8.242 -1.277
109 1HG2 VAL 21 1HG2 VAL 21 112.406 -6.311 -0.019
110 2HG2 VAL 21 2HG2 VAL 21 111.102 -5.518 0.859
111 3HG2 VAL 21 3HG2 VAL 21 110.931 -5.865 -0.860
112 H THR 22 H THR 22 110.633 -9.173 2.503
113 HA THR 22 HA THR 22 108.560 -11.216 2.118
114 HB THR 22 HB THR 22 111.491 -11.432 2.793
115 HG1 THR 22 HG1 THR 22 110.929 -11.115 0.592
116 1HG2 THR 22 1HG2 THR 22 110.807 -13.965 2.258
117 2HG2 THR 22 2HG2 THR 22 109.352 -13.431 3.100
118 3HG2 THR 22 3HG2 THR 22 110.924 -13.312 3.891
119 H ASN 23 H ASN 23 110.848 -10.166 4.598
120 HA ASN 23 HA ASN 23 110.181 -11.477 6.794
121 1HB ASN 23 1HB ASN 23 110.505 -8.473 6.718
122 2HB ASN 23 2HB ASN 23 110.740 -9.505 8.129
123 1HD2 ASN 23 1HD2 ASN 23 112.009 -8.591 4.997
124 2HD2 ASN 23 2HD2 ASN 23 113.591 -9.238 5.242
125 H LYS 24 H LYS 24 108.246 -8.659 5.708
126 HA LYS 24 HA LYS 24 106.146 -9.588 7.557
127 1HB LYS 24 1HB LYS 24 107.192 -6.898 6.953
128 2HB LYS 24 2HB LYS 24 105.443 -7.017 7.114
129 1HG LYS 24 1HG LYS 24 105.746 -6.828 9.303
130 2HG LYS 24 2HG LYS 24 106.411 -8.463 9.265
131 1HD LYS 24 1HD LYS 24 108.079 -6.009 8.769
132 2HD LYS 24 2HD LYS 24 107.846 -6.698 10.376
133 1HE LYS 24 1HE LYS 24 109.034 -8.098 7.985
134 2HE LYS 24 2HE LYS 24 109.924 -7.488 9.379
135 1HZ LYS 24 1HZ LYS 24 108.505 -9.022 10.751
136 2HZ LYS 24 2HZ LYS 24 109.624 -9.780 9.733
137 3HZ LYS 24 3HZ LYS 24 107.989 -9.730 9.303
138 H GLY 25 H GLY 25 106.515 -10.384 4.689
139 1HA GLY 25 1HA GLY 25 104.065 -10.810 3.797
140 2HA GLY 25 2HA GLY 25 104.201 -9.099 3.434
141 H ARG 26 H ARG 26 104.022 -9.359 1.224
142 HA ARG 26 HA ARG 26 106.441 -10.361 -0.076
143 1HB ARG 26 1HB ARG 26 104.795 -11.281 -1.904
144 2HB ARG 26 2HB ARG 26 105.190 -12.249 -0.491
145 1HG ARG 26 1HG ARG 26 102.796 -10.468 -0.445
146 2HG ARG 26 2HG ARG 26 102.724 -12.028 -1.265
147 1HD ARG 26 1HD ARG 26 103.945 -12.222 1.361
148 2HD ARG 26 2HD ARG 26 102.316 -11.554 1.433
149 HE ARG 26 HE ARG 26 102.373 -13.845 -0.225
150 1HH1 ARG 26 1HH1 ARG 26 102.481 -12.892 3.130
151 2HH1 ARG 26 2HH1 ARG 26 101.796 -14.376 3.703
152 1HH2 ARG 26 1HH2 ARG 26 101.471 -15.797 0.526
153 2HH2 ARG 26 2HH2 ARG 26 101.223 -16.025 2.224
154 H THR 27 H THR 27 103.671 -9.655 -2.050
155 HA THR 27 HA THR 27 104.748 -6.983 -2.598
156 HB THR 27 HB THR 27 104.071 -9.235 -4.409
157 HG1 THR 27 HG1 THR 27 105.816 -8.274 -5.564
158 1HG2 THR 27 1HG2 THR 27 102.453 -7.704 -5.220
159 2HG2 THR 27 2HG2 THR 27 103.824 -7.696 -6.332
160 3HG2 THR 27 3HG2 THR 27 103.609 -6.372 -5.183
161 H LYS 28 H LYS 28 102.378 -8.355 -1.084
162 HA LYS 28 HA LYS 28 100.126 -6.954 -2.262
163 1HB LYS 28 1HB LYS 28 100.430 -8.906 -0.012
164 2HB LYS 28 2HB LYS 28 98.892 -8.136 -0.390
165 1HG LYS 28 1HG LYS 28 99.187 -10.443 -1.325
166 2HG LYS 28 2HG LYS 28 98.781 -9.202 -2.510
167 1HD LYS 28 1HD LYS 28 101.066 -9.085 -3.256
168 2HD LYS 28 2HD LYS 28 101.591 -10.155 -1.955
169 1HE LYS 28 1HE LYS 28 101.451 -11.699 -3.613
170 2HE LYS 28 2HE LYS 28 99.771 -11.746 -3.079
171 1HZ LYS 28 1HZ LYS 28 99.674 -9.778 -4.869
172 2HZ LYS 28 2HZ LYS 28 99.379 -11.399 -5.250
173 3HZ LYS 28 3HZ LYS 28 100.902 -10.724 -5.547
174 H LEU 29 H LEU 29 102.263 -5.455 -1.086
175 HA LEU 29 HA LEU 29 101.542 -4.557 1.516
176 1HB LEU 29 1HB LEU 29 103.004 -2.593 -0.088
177 2HB LEU 29 2HB LEU 29 103.388 -3.263 1.472
178 HG LEU 29 HG LEU 29 104.301 -4.090 -1.244
179 1HD1 LEU 29 1HD1 LEU 29 105.579 -4.050 1.497
180 2HD1 LEU 29 2HD1 LEU 29 105.745 -2.805 0.264
181 3HD1 LEU 29 3HD1 LEU 29 106.397 -4.419 -0.017
182 1HD2 LEU 29 1HD2 LEU 29 105.051 -6.192 0.435
183 2HD2 LEU 29 2HD2 LEU 29 103.904 -6.270 -0.895
184 3HD2 LEU 29 3HD2 LEU 29 103.331 -5.981 0.746
185 HA PRO 30 HA PRO 30 98.422 -1.426 1.257
186 1HB PRO 30 1HB PRO 30 100.649 0.556 0.877
187 2HB PRO 30 2HB PRO 30 99.161 0.724 1.822
188 1HG PRO 30 1HG PRO 30 101.480 0.071 2.996
189 2HG PRO 30 2HG PRO 30 99.939 -0.624 3.538
190 1HD PRO 30 1HD PRO 30 102.184 -1.915 2.140
191 2HD PRO 30 2HD PRO 30 100.846 -2.655 3.047
192 HA PRO 31 HA PRO 31 97.390 -1.088 -3.033
193 1HB PRO 31 1HB PRO 31 96.561 1.684 -2.255
194 2HB PRO 31 2HB PRO 31 95.702 0.489 -3.240
195 1HG PRO 31 1HG PRO 31 95.045 0.884 -0.682
196 2HG PRO 31 2HG PRO 31 95.023 -0.738 -1.397
197 1HD PRO 31 1HD PRO 31 96.919 0.441 0.546
198 2HD PRO 31 2HD PRO 31 96.490 -1.259 0.275
199 H GLY 32 H GLY 32 99.223 -0.997 -4.259
200 1HA GLY 32 1HA GLY 32 100.336 0.385 -5.896
201 2HA GLY 32 2HA GLY 32 100.340 1.691 -4.727
202 H VAL 33 H VAL 33 101.369 -1.703 -4.310
203 HA VAL 33 HA VAL 33 104.126 -0.755 -3.935
204 HB VAL 33 HB VAL 33 103.037 -2.879 -2.182
205 1HG1 VAL 33 1HG1 VAL 33 105.358 -2.827 -2.255
206 2HG1 VAL 33 2HG1 VAL 33 104.943 -1.918 -0.805
207 3HG1 VAL 33 3HG1 VAL 33 105.409 -1.067 -2.271
208 1HG2 VAL 33 1HG2 VAL 33 101.893 -1.424 -0.940
209 2HG2 VAL 33 2HG2 VAL 33 102.238 -0.143 -2.099
210 3HG2 VAL 33 3HG2 VAL 33 103.335 -0.437 -0.753
211 H ASP 34 H ASP 34 105.602 -1.811 -4.925
212 HA ASP 34 HA ASP 34 105.255 -4.613 -5.642
213 1HB ASP 34 1HB ASP 34 104.578 -2.804 -7.517
214 2HB ASP 34 2HB ASP 34 106.315 -2.883 -7.813
215 H ARG 35 H ARG 35 107.216 -5.711 -5.984
216 HA ARG 35 HA ARG 35 109.388 -4.907 -4.458
217 1HB ARG 35 1HB ARG 35 108.746 -7.096 -6.232
218 2HB ARG 35 2HB ARG 35 110.432 -6.635 -6.403
219 1HG ARG 35 1HG ARG 35 110.435 -8.283 -4.754
220 2HG ARG 35 2HG ARG 35 110.555 -6.762 -3.860
221 1HD ARG 35 1HD ARG 35 108.703 -7.241 -2.736
222 2HD ARG 35 2HD ARG 35 107.795 -7.415 -4.236
223 HE ARG 35 HE ARG 35 108.862 -9.522 -2.586
224 1HH1 ARG 35 1HH1 ARG 35 107.744 -8.672 -5.781
225 2HH1 ARG 35 2HH1 ARG 35 107.368 -10.304 -6.217
226 1HH2 ARG 35 1HH2 ARG 35 108.368 -11.666 -3.161
227 2HH2 ARG 35 2HH2 ARG 35 107.721 -12.003 -4.731
228 H MET 36 H MET 36 108.537 -3.943 -7.645
229 HA MET 36 HA MET 36 110.967 -3.411 -8.837
230 1HB MET 36 1HB MET 36 108.421 -3.031 -9.565
231 2HB MET 36 2HB MET 36 108.837 -1.373 -9.160
232 1HG MET 36 1HG MET 36 110.290 -1.159 -10.891
233 2HG MET 36 2HG MET 36 110.711 -2.875 -10.892
234 1HE MET 36 1HE MET 36 109.483 -3.631 -14.115
235 2HE MET 36 2HE MET 36 110.837 -3.178 -13.079
236 3HE MET 36 3HE MET 36 110.074 -1.970 -14.111
237 H ARG 37 H ARG 37 109.181 -1.382 -6.524
238 HA ARG 37 HA ARG 37 111.662 -0.008 -5.885
239 1HB ARG 37 1HB ARG 37 110.210 2.206 -5.969
240 2HB ARG 37 2HB ARG 37 111.098 1.631 -7.369
241 1HG ARG 37 1HG ARG 37 108.473 0.460 -7.309
242 2HG ARG 37 2HG ARG 37 108.372 2.218 -7.194
243 1HD ARG 37 1HD ARG 37 110.172 2.058 -9.142
244 2HD ARG 37 2HD ARG 37 109.376 0.507 -9.402
245 HE ARG 37 HE ARG 37 108.352 3.070 -10.057
246 1HH1 ARG 37 1HH1 ARG 37 107.376 -0.077 -8.909
247 2HH1 ARG 37 2HH1 ARG 37 105.769 0.053 -9.538
248 1HH2 ARG 37 1HH2 ARG 37 106.237 3.245 -10.884
249 2HH2 ARG 37 2HH2 ARG 37 105.121 1.939 -10.658
250 H LEU 38 H LEU 38 111.013 -1.494 -4.046
251 HA LEU 38 HA LEU 38 108.852 -0.647 -2.383
252 1HB LEU 38 1HB LEU 38 110.990 -2.712 -2.247
253 2HB LEU 38 2HB LEU 38 110.146 -2.269 -0.766
254 HG LEU 38 HG LEU 38 108.666 -3.068 -3.263
255 1HD1 LEU 38 1HD1 LEU 38 110.301 -4.840 -2.378
256 2HD1 LEU 38 2HD1 LEU 38 108.612 -5.299 -2.597
257 3HD1 LEU 38 3HD1 LEU 38 109.225 -4.934 -0.984
258 1HD2 LEU 38 1HD2 LEU 38 107.363 -1.883 -1.687
259 2HD2 LEU 38 2HD2 LEU 38 107.968 -2.865 -0.354
260 3HD2 LEU 38 3HD2 LEU 38 106.932 -3.589 -1.582
261 H GLU 39 H GLU 39 112.402 -0.356 -2.211
262 HA GLU 39 HA GLU 39 112.365 1.079 0.230
263 1HB GLU 39 1HB GLU 39 114.719 1.590 -0.252
264 2HB GLU 39 2HB GLU 39 114.358 -0.118 -0.432
265 1HG GLU 39 1HG GLU 39 115.745 0.419 -2.223
266 2HG GLU 39 2HG GLU 39 114.123 0.331 -2.906
267 H ARG 40 H ARG 40 110.850 2.003 -2.350
268 HA ARG 40 HA ARG 40 111.714 4.812 -2.196
269 1HB ARG 40 1HB ARG 40 111.564 3.205 -4.436
270 2HB ARG 40 2HB ARG 40 110.038 4.074 -4.478
271 1HG ARG 40 1HG ARG 40 111.786 6.088 -3.953
272 2HG ARG 40 2HG ARG 40 112.765 5.021 -4.963
273 1HD ARG 40 1HD ARG 40 111.137 5.088 -6.719
274 2HD ARG 40 2HD ARG 40 109.995 5.957 -5.695
275 HE ARG 40 HE ARG 40 112.213 7.063 -7.154
276 1HH1 ARG 40 1HH1 ARG 40 110.059 7.511 -4.446
277 2HH1 ARG 40 2HH1 ARG 40 110.262 9.230 -4.408
278 1HH2 ARG 40 1HH2 ARG 40 112.483 9.324 -7.105
279 2HH2 ARG 40 2HH2 ARG 40 111.639 10.260 -5.918
280 H HIS 41 H HIS 41 109.383 2.558 -1.439
281 HA HIS 41 HA HIS 41 107.100 4.338 -1.546
282 1HB HIS 41 1HB HIS 41 107.544 1.450 -0.843
283 2HB HIS 41 2HB HIS 41 106.036 2.254 -0.436
284 HD1 HIS 41 HD1 HIS 41 105.315 3.770 -2.890
285 HD2 HIS 41 HD2 HIS 41 107.055 0.000 -3.052
286 HE1 HIS 41 HE1 HIS 41 104.713 2.846 -5.151
287 HE2 HIS 41 HE2 HIS 41 105.871 0.613 -5.268
288 H LEU 42 H LEU 42 109.651 3.774 0.533
289 HA LEU 42 HA LEU 42 108.224 4.042 3.015
290 1HB LEU 42 1HB LEU 42 111.164 4.098 2.340
291 2HB LEU 42 2HB LEU 42 110.515 4.135 3.973
292 HG LEU 42 HG LEU 42 109.480 1.894 2.435
293 1HD1 LEU 42 1HD1 LEU 42 112.057 2.423 1.752
294 2HD1 LEU 42 2HD1 LEU 42 111.311 0.823 1.751
295 3HD1 LEU 42 3HD1 LEU 42 112.264 1.349 3.142
296 1HD2 LEU 42 1HD2 LEU 42 110.021 0.703 4.429
297 2HD2 LEU 42 2HD2 LEU 42 109.331 2.263 4.875
298 3HD2 LEU 42 3HD2 LEU 42 111.073 2.010 4.976
299 H SER 43 H SER 43 108.199 5.820 4.343
300 HA SER 43 HA SER 43 108.390 8.368 3.040
301 1HB SER 43 1HB SER 43 108.001 8.943 5.701
302 2HB SER 43 2HB SER 43 106.713 8.634 4.532
303 HG SER 43 HG SER 43 107.939 6.739 6.256
304 H ALA 44 H ALA 44 109.590 10.195 3.986
305 HA ALA 44 HA ALA 44 112.303 9.819 4.017
306 1HB ALA 44 1HB ALA 44 110.516 11.979 4.942
307 2HB ALA 44 2HB ALA 44 111.880 12.033 3.825
308 3HB ALA 44 3HB ALA 44 112.166 12.011 5.565
309 H GLU 45 H GLU 45 110.063 9.424 6.646
310 HA GLU 45 HA GLU 45 112.084 9.259 8.681
311 1HB GLU 45 1HB GLU 45 109.963 8.007 9.817
312 2HB GLU 45 2HB GLU 45 110.187 9.749 9.816
313 1HG GLU 45 1HG GLU 45 108.609 10.074 8.140
314 2HG GLU 45 2HG GLU 45 108.681 8.394 7.615
315 H ASP 46 H ASP 46 109.807 6.842 7.383
316 HA ASP 46 HA ASP 46 110.924 4.569 8.430
317 1HB ASP 46 1HB ASP 46 109.558 5.012 5.776
318 2HB ASP 46 2HB ASP 46 110.007 3.408 6.364
319 H PHE 47 H PHE 47 111.841 6.230 5.426
320 HA PHE 47 HA PHE 47 113.744 4.367 4.569
321 1HB PHE 47 1HB PHE 47 112.682 6.427 3.365
322 2HB PHE 47 2HB PHE 47 114.058 7.299 4.045
323 HD1 PHE 47 HD1 PHE 47 113.276 4.209 2.144
324 HD2 PHE 47 HD2 PHE 47 116.008 7.389 2.846
325 HE1 PHE 47 HE1 PHE 47 114.701 3.396 0.297
326 HE2 PHE 47 HE2 PHE 47 117.433 6.589 1.004
327 HZ PHE 47 HZ PHE 47 116.773 4.592 -0.276
328 H SER 48 H SER 48 114.249 7.458 6.276
329 HA SER 48 HA SER 48 117.014 7.130 6.609
330 1HB SER 48 1HB SER 48 115.725 9.285 6.819
331 2HB SER 48 2HB SER 48 115.197 8.739 8.411
332 HG SER 48 HG SER 48 117.544 9.851 7.678
333 H ARG 49 H ARG 49 114.461 5.524 8.187
334 HA ARG 49 HA ARG 49 115.989 5.047 10.623
335 1HB ARG 49 1HB ARG 49 113.307 3.912 9.821
336 2HB ARG 49 2HB ARG 49 114.034 3.859 11.420
337 1HG ARG 49 1HG ARG 49 113.896 6.568 10.539
338 2HG ARG 49 2HG ARG 49 112.317 5.805 10.350
339 1HD ARG 49 1HD ARG 49 112.115 6.447 12.519
340 2HD ARG 49 2HD ARG 49 112.908 4.891 12.778
341 HE ARG 49 HE ARG 49 114.791 5.996 13.492
342 1HH1 ARG 49 1HH1 ARG 49 112.620 8.280 11.988
343 2HH1 ARG 49 2HH1 ARG 49 113.516 9.665 12.512
344 1HH2 ARG 49 1HH2 ARG 49 115.967 7.818 14.183
345 2HH2 ARG 49 2HH2 ARG 49 115.416 9.404 13.757
346 H VAL 50 H VAL 50 114.804 3.301 7.802
347 HA VAL 50 HA VAL 50 115.973 0.808 8.689
348 HB VAL 50 HB VAL 50 114.900 1.317 5.928
349 1HG1 VAL 50 1HG1 VAL 50 114.646 -1.190 7.539
350 2HG1 VAL 50 2HG1 VAL 50 116.144 -0.817 6.686
351 3HG1 VAL 50 3HG1 VAL 50 114.634 -0.977 5.789
352 1HG2 VAL 50 1HG2 VAL 50 113.381 1.917 8.064
353 2HG2 VAL 50 2HG2 VAL 50 113.074 0.185 7.947
354 3HG2 VAL 50 3HG2 VAL 50 112.739 1.233 6.569
355 H PHE 51 H PHE 51 116.712 3.308 6.296
356 HA PHE 51 HA PHE 51 119.119 1.797 5.548
357 1HB PHE 51 1HB PHE 51 117.755 4.107 4.155
358 2HB PHE 51 2HB PHE 51 119.227 3.315 3.594
359 HD1 PHE 51 HD1 PHE 51 115.881 3.535 3.008
360 HD2 PHE 51 HD2 PHE 51 118.886 0.587 3.580
361 HE1 PHE 51 HE1 PHE 51 114.525 1.918 1.728
362 HE2 PHE 51 HE2 PHE 51 117.538 -1.036 2.305
363 HZ PHE 51 HZ PHE 51 115.364 -0.364 1.378
364 H ALA 52 H ALA 52 118.048 4.872 6.874
365 HA ALA 52 HA ALA 52 119.200 6.419 8.124
366 1HB ALA 52 1HB ALA 52 121.764 4.953 7.664
367 2HB ALA 52 2HB ALA 52 120.563 4.342 8.803
368 3HB ALA 52 3HB ALA 52 121.280 5.936 9.046
369 H MET 53 H MET 53 119.153 6.125 5.061
370 HA MET 53 HA MET 53 120.991 8.350 4.520
371 1HB MET 53 1HB MET 53 120.954 7.041 2.133
372 2HB MET 53 2HB MET 53 122.244 6.932 3.326
373 1HG MET 53 1HG MET 53 121.672 4.834 3.968
374 2HG MET 53 2HG MET 53 119.956 5.078 3.633
375 1HE MET 53 1HE MET 53 119.136 5.568 1.238
376 2HE MET 53 2HE MET 53 119.789 4.791 -0.202
377 3HE MET 53 3HE MET 53 120.519 6.274 0.398
378 H SER 54 H SER 54 120.431 9.555 2.583
379 HA SER 54 HA SER 54 117.687 10.268 2.634
380 1HB SER 54 1HB SER 54 120.046 11.108 0.959
381 2HB SER 54 2HB SER 54 118.426 11.758 0.673
382 HG SER 54 HG SER 54 118.502 12.281 3.022
383 HA PRO 55 HA PRO 55 115.859 7.590 -0.407
384 1HB PRO 55 1HB PRO 55 114.532 10.101 -1.324
385 2HB PRO 55 2HB PRO 55 113.815 8.535 -0.925
386 1HG PRO 55 1HG PRO 55 113.620 10.601 0.754
387 2HG PRO 55 2HG PRO 55 113.854 8.946 1.355
388 1HD PRO 55 1HD PRO 55 115.798 11.197 1.191
389 2HD PRO 55 2HD PRO 55 115.683 9.884 2.383
390 H GLU 56 H GLU 56 117.310 10.673 -1.155
391 HA GLU 56 HA GLU 56 117.620 10.127 -3.967
392 1HB GLU 56 1HB GLU 56 117.434 12.415 -3.536
393 2HB GLU 56 2HB GLU 56 118.451 12.328 -2.101
394 1HG GLU 56 1HG GLU 56 120.338 12.651 -3.261
395 2HG GLU 56 2HG GLU 56 119.808 11.640 -4.609
396 H GLU 57 H GLU 57 119.470 9.812 -1.013
397 HA GLU 57 HA GLU 57 122.023 9.452 -2.058
398 1HB GLU 57 1HB GLU 57 120.674 8.792 0.496
399 2HB GLU 57 2HB GLU 57 122.014 7.731 0.080
400 1HG GLU 57 1HG GLU 57 123.410 9.785 -0.261
401 2HG GLU 57 2HG GLU 57 122.075 10.710 0.423
402 H PHE 58 H PHE 58 119.569 6.960 -1.311
403 HA PHE 58 HA PHE 58 120.821 4.657 -2.088
404 1HB PHE 58 1HB PHE 58 118.263 5.314 -1.445
405 2HB PHE 58 2HB PHE 58 118.068 4.994 -3.166
406 HD1 PHE 58 HD1 PHE 58 118.749 2.731 -4.051
407 HD2 PHE 58 HD2 PHE 58 118.407 3.566 0.108
408 HE1 PHE 58 HE1 PHE 58 118.571 0.322 -3.581
409 HE2 PHE 58 HE2 PHE 58 118.241 1.164 0.584
410 HZ PHE 58 HZ PHE 58 118.321 -0.468 -1.259
411 H GLY 59 H GLY 59 118.767 6.523 -4.349
412 1HA GLY 59 1HA GLY 59 119.486 5.192 -6.669
413 2HA GLY 59 2HA GLY 59 118.946 6.864 -6.613
414 H LYS 60 H LYS 60 121.324 7.498 -4.850
415 HA LYS 60 HA LYS 60 123.208 7.863 -7.056
416 1HB LYS 60 1HB LYS 60 123.051 9.186 -4.342
417 2HB LYS 60 2HB LYS 60 124.264 9.548 -5.569
418 1HG LYS 60 1HG LYS 60 121.530 9.728 -6.564
419 2HG LYS 60 2HG LYS 60 121.873 10.844 -5.237
420 1HD LYS 60 1HD LYS 60 124.009 10.734 -7.221
421 2HD LYS 60 2HD LYS 60 122.465 11.256 -7.898
422 1HE LYS 60 1HE LYS 60 123.937 13.098 -7.026
423 2HE LYS 60 2HE LYS 60 122.302 13.060 -6.367
424 1HZ LYS 60 1HZ LYS 60 124.373 11.616 -4.900
425 2HZ LYS 60 2HZ LYS 60 123.040 12.480 -4.320
426 3HZ LYS 60 3HZ LYS 60 124.421 13.306 -4.840
427 H LEU 61 H LEU 61 122.762 5.607 -4.718
428 HA LEU 61 HA LEU 61 125.452 5.388 -3.772
429 1HB LEU 61 1HB LEU 61 122.986 3.662 -3.499
430 2HB LEU 61 2HB LEU 61 124.513 3.278 -2.738
431 HG LEU 61 HG LEU 61 122.684 5.557 -2.128
432 1HD1 LEU 61 1HD1 LEU 61 122.014 3.903 -0.768
433 2HD1 LEU 61 2HD1 LEU 61 123.359 4.492 0.209
434 3HD1 LEU 61 3HD1 LEU 61 123.569 3.075 -0.820
435 1HD2 LEU 61 1HD2 LEU 61 124.441 6.288 -0.503
436 2HD2 LEU 61 2HD2 LEU 61 124.840 6.577 -2.196
437 3HD2 LEU 61 3HD2 LEU 61 125.568 5.219 -1.338
438 H ALA 62 H ALA 62 125.268 2.396 -3.992
439 HA ALA 62 HA ALA 62 125.946 2.101 -6.835
440 1HB ALA 62 1HB ALA 62 127.422 0.705 -4.627
441 2HB ALA 62 2HB ALA 62 127.943 2.246 -5.303
442 3HB ALA 62 3HB ALA 62 127.862 0.814 -6.330
443 H LEU 63 H LEU 63 125.970 -0.186 -7.572
444 HA LEU 63 HA LEU 63 123.517 -1.440 -7.063
445 1HB LEU 63 1HB LEU 63 125.024 -1.625 -9.104
446 2HB LEU 63 2HB LEU 63 125.935 -2.819 -8.199
447 HG LEU 63 HG LEU 63 123.161 -3.510 -8.103
448 1HD1 LEU 63 1HD1 LEU 63 122.936 -4.025 -10.563
449 2HD1 LEU 63 2HD1 LEU 63 124.250 -2.880 -10.830
450 3HD1 LEU 63 3HD1 LEU 63 122.739 -2.335 -10.101
451 1HD2 LEU 63 1HD2 LEU 63 125.470 -4.819 -8.043
452 2HD2 LEU 63 2HD2 LEU 63 125.099 -5.022 -9.756
453 3HD2 LEU 63 3HD2 LEU 63 123.961 -5.591 -8.534
454 H TRP 64 H TRP 64 126.656 -1.890 -5.576
455 HA TRP 64 HA TRP 64 125.869 -4.328 -4.259
456 1HB TRP 64 1HB TRP 64 128.108 -3.983 -3.131
457 2HB TRP 64 2HB TRP 64 128.171 -4.133 -4.892
458 HD1 TRP 64 HD1 TRP 64 129.102 -2.071 -6.220
459 HE1 TRP 64 HE1 TRP 64 130.053 0.207 -5.515
460 HE3 TRP 64 HE3 TRP 64 127.692 -2.176 -1.439
461 HZ2 TRP 64 HZ2 TRP 64 130.179 1.760 -3.103
462 HZ3 TRP 64 HZ3 TRP 64 128.261 -0.262 0.044
463 HH2 TRP 64 HH2 TRP 64 129.463 1.659 -0.785
464 H LYS 65 H LYS 65 126.119 -0.921 -3.721
465 HA LYS 65 HA LYS 65 125.670 -0.939 -0.903
466 1HB LYS 65 1HB LYS 65 126.352 0.994 -2.709
467 2HB LYS 65 2HB LYS 65 124.652 1.371 -2.446
468 1HG LYS 65 1HG LYS 65 126.911 1.408 -0.476
469 2HG LYS 65 2HG LYS 65 125.795 2.702 -0.914
470 1HD LYS 65 1HD LYS 65 124.655 2.154 0.925
471 2HD LYS 65 2HD LYS 65 124.136 0.711 0.050
472 1HE LYS 65 1HE LYS 65 124.990 -0.159 2.023
473 2HE LYS 65 2HE LYS 65 126.347 -0.320 0.899
474 1HZ LYS 65 1HZ LYS 65 126.871 2.067 1.881
475 2HZ LYS 65 2HZ LYS 65 127.420 0.649 2.621
476 3HZ LYS 65 3HZ LYS 65 126.042 1.432 3.213
477 H ARG 66 H ARG 66 123.513 0.029 -3.575
478 HA ARG 66 HA ARG 66 121.107 0.172 -2.314
479 1HB ARG 66 1HB ARG 66 121.580 -1.123 -5.005
480 2HB ARG 66 2HB ARG 66 120.055 -0.465 -4.437
481 1HG ARG 66 1HG ARG 66 121.534 1.717 -4.160
482 2HG ARG 66 2HG ARG 66 122.472 0.921 -5.426
483 1HD ARG 66 1HD ARG 66 119.904 0.609 -6.319
484 2HD ARG 66 2HD ARG 66 119.848 2.202 -5.552
485 HE ARG 66 HE ARG 66 122.094 1.836 -7.311
486 1HH1 ARG 66 1HH1 ARG 66 118.736 2.770 -7.112
487 2HH1 ARG 66 2HH1 ARG 66 118.789 3.729 -8.552
488 1HH2 ARG 66 1HH2 ARG 66 122.164 3.098 -9.206
489 2HH2 ARG 66 2HH2 ARG 66 120.734 3.915 -9.741
490 H ASN 67 H ASN 67 122.709 -2.734 -3.503
491 HA ASN 67 HA ASN 67 120.686 -4.578 -2.855
492 1HB ASN 67 1HB ASN 67 123.582 -4.704 -3.467
493 2HB ASN 67 2HB ASN 67 122.930 -6.075 -2.570
494 1HD2 ASN 67 1HD2 ASN 67 122.075 -4.025 -5.342
495 2HD2 ASN 67 2HD2 ASN 67 121.533 -5.320 -6.349
496 H GLU 68 H GLU 68 123.742 -4.153 -1.084
497 HA GLU 68 HA GLU 68 123.207 -5.520 1.188
498 1HB GLU 68 1HB GLU 68 124.900 -3.174 0.559
499 2HB GLU 68 2HB GLU 68 124.603 -3.486 2.264
500 1HG GLU 68 1HG GLU 68 126.024 -5.188 2.294
501 2HG GLU 68 2HG GLU 68 125.315 -5.903 0.847
502 H LEU 69 H LEU 69 122.159 -2.210 0.466
503 HA LEU 69 HA LEU 69 121.104 -1.642 3.015
504 1HB LEU 69 1HB LEU 69 120.024 -0.587 0.415
505 2HB LEU 69 2HB LEU 69 119.933 0.160 1.998
506 HG LEU 69 HG LEU 69 122.594 -0.358 0.845
507 1HD1 LEU 69 1HD1 LEU 69 122.457 1.129 -0.806
508 2HD1 LEU 69 2HD1 LEU 69 121.556 2.266 0.195
509 3HD1 LEU 69 3HD1 LEU 69 120.712 0.968 -0.639
510 1HD2 LEU 69 1HD2 LEU 69 122.995 1.859 2.008
511 2HD2 LEU 69 2HD2 LEU 69 122.626 0.479 3.044
512 3HD2 LEU 69 3HD2 LEU 69 121.377 1.672 2.686
513 H LYS 70 H LYS 70 119.362 -2.456 0.045
514 HA LYS 70 HA LYS 70 116.881 -3.018 1.242
515 1HB LYS 70 1HB LYS 70 118.199 -3.726 -1.338
516 2HB LYS 70 2HB LYS 70 116.754 -4.615 -0.883
517 1HG LYS 70 1HG LYS 70 115.405 -2.727 -0.975
518 2HG LYS 70 2HG LYS 70 116.780 -1.625 -0.846
519 1HD LYS 70 1HD LYS 70 116.193 -1.465 -3.089
520 2HD LYS 70 2HD LYS 70 117.505 -2.644 -3.111
521 1HE LYS 70 1HE LYS 70 114.825 -3.784 -2.731
522 2HE LYS 70 2HE LYS 70 115.079 -2.997 -4.288
523 1HZ LYS 70 1HZ LYS 70 115.715 -5.217 -4.585
524 2HZ LYS 70 2HZ LYS 70 116.576 -5.271 -3.130
525 3HZ LYS 70 3HZ LYS 70 117.174 -4.373 -4.432
526 H LYS 71 H LYS 71 119.826 -4.779 1.125
527 HA LYS 71 HA LYS 71 118.649 -7.334 1.762
528 1HB LYS 71 1HB LYS 71 121.455 -6.309 1.357
529 2HB LYS 71 2HB LYS 71 121.161 -7.923 2.016
530 1HG LYS 71 1HG LYS 71 119.962 -8.562 0.035
531 2HG LYS 71 2HG LYS 71 120.063 -6.918 -0.598
532 1HD LYS 71 1HD LYS 71 121.956 -7.507 -1.615
533 2HD LYS 71 2HD LYS 71 122.701 -7.658 -0.022
534 1HE LYS 71 1HE LYS 71 121.108 -9.906 -1.204
535 2HE LYS 71 2HE LYS 71 122.798 -9.665 -1.644
536 1HZ LYS 71 1HZ LYS 71 122.755 -11.183 0.145
537 2HZ LYS 71 2HZ LYS 71 121.696 -10.223 1.050
538 3HZ LYS 71 3HZ LYS 71 123.289 -9.714 0.795
539 H LYS 72 H LYS 72 120.098 -4.663 3.463
540 HA LYS 72 HA LYS 72 120.188 -6.180 5.948
541 1HB LYS 72 1HB LYS 72 121.474 -4.406 6.870
542 2HB LYS 72 2HB LYS 72 122.101 -4.677 5.250
543 1HG LYS 72 1HG LYS 72 121.820 -2.525 4.819
544 2HG LYS 72 2HG LYS 72 120.075 -2.741 5.001
545 1HD LYS 72 1HD LYS 72 121.760 -2.411 7.442
546 2HD LYS 72 2HD LYS 72 121.378 -0.991 6.466
547 1HE LYS 72 1HE LYS 72 119.522 -0.896 7.724
548 2HE LYS 72 2HE LYS 72 118.940 -2.177 6.663
549 1HZ LYS 72 1HZ LYS 72 120.333 -2.620 9.248
550 2HZ LYS 72 2HZ LYS 72 119.671 -3.813 8.250
551 3HZ LYS 72 3HZ LYS 72 118.657 -2.702 9.025
552 H ALA 73 H ALA 73 118.360 -3.852 4.243
553 HA ALA 73 HA ALA 73 116.915 -2.796 6.487
554 1HB ALA 73 1HB ALA 73 116.964 -2.420 3.561
555 2HB ALA 73 2HB ALA 73 116.899 -1.224 4.855
556 3HB ALA 73 3HB ALA 73 115.434 -2.077 4.366
557 H GLU 74 H GLU 74 116.862 -5.780 5.146
558 HA GLU 74 HA GLU 74 115.407 -7.520 5.306
559 1HB GLU 74 1HB GLU 74 113.384 -5.676 6.561
560 2HB GLU 74 2HB GLU 74 113.544 -7.414 6.763
561 1HG GLU 74 1HG GLU 74 115.761 -5.630 7.644
562 2HG GLU 74 2HG GLU 74 114.317 -5.787 8.641
563 H LEU 75 H LEU 75 115.374 -5.362 3.162
564 HA LEU 75 HA LEU 75 112.993 -6.367 1.848
565 1HB LEU 75 1HB LEU 75 112.978 -3.756 0.982
566 2HB LEU 75 2HB LEU 75 111.841 -4.493 2.101
567 HG LEU 75 HG LEU 75 113.970 -3.683 3.679
568 1HD1 LEU 75 1HD1 LEU 75 113.921 -1.176 3.022
569 2HD1 LEU 75 2HD1 LEU 75 113.510 -1.786 1.415
570 3HD1 LEU 75 3HD1 LEU 75 115.026 -2.266 2.182
571 1HD2 LEU 75 1HD2 LEU 75 112.149 -1.714 3.993
572 2HD2 LEU 75 2HD2 LEU 75 111.993 -3.329 4.686
573 3HD2 LEU 75 3HD2 LEU 75 111.178 -2.936 3.173
574 H PHE 76 H PHE 76 114.870 -7.559 0.908
575 HA PHE 76 HA PHE 76 115.733 -6.122 -1.512
576 1HB PHE 76 1HB PHE 76 117.808 -6.244 -0.533
577 2HB PHE 76 2HB PHE 76 117.409 -7.689 0.397
578 HD1 PHE 76 HD1 PHE 76 117.686 -9.892 -0.571
579 HD2 PHE 76 HD2 PHE 76 118.604 -6.387 -2.800
580 HE1 PHE 76 HE1 PHE 76 118.895 -11.262 -2.220
581 HE2 PHE 76 HE2 PHE 76 119.814 -7.749 -4.453
582 HZ PHE 76 HZ PHE 76 119.960 -10.190 -4.165