Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
18092 | 2dez RC | 7006 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 HT1 TYR 1 24.592 10.357 3.078
2 2H TYR 1 HT2 TYR 1 25.247 8.883 3.591
3 3H TYR 1 HT3 TYR 1 23.789 9.438 4.254
4 HA TYR 1 HA TYR 1 23.128 7.821 2.750
5 1HB TYR 1 HB2 TYR 1 22.032 10.118 2.580
6 2HB TYR 1 HB1 TYR 1 23.009 10.376 1.141
7 HD1 TYR 1 HD1 TYR 1 20.618 7.878 2.558
8 HD2 TYR 1 HD2 TYR 1 22.099 9.851 -0.907
9 HE1 TYR 1 HE1 TYR 1 18.881 6.786 1.202
10 HE2 TYR 1 HE2 TYR 1 20.366 8.766 -2.271
11 HH TYR 1 HH TYR 1 18.297 6.269 -0.995
12 HA PRO 2 HA PRO 2 26.590 7.038 -0.094
13 1HB PRO 2 HB2 PRO 2 26.419 4.353 -0.016
14 2HB PRO 2 HB1 PRO 2 27.198 5.280 1.273
15 1HG PRO 2 HG2 PRO 2 24.478 4.053 1.198
16 2HG PRO 2 HG1 PRO 2 25.632 4.143 2.539
17 1HD PRO 2 HD2 PRO 2 23.460 5.817 2.227
18 2HD PRO 2 HD1 PRO 2 24.911 6.214 3.167
19 H ILE 3 HN ILE 3 26.142 7.314 -2.199
20 HA ILE 3 HA ILE 3 23.624 6.584 -3.294
21 HB ILE 3 HB ILE 3 24.671 8.545 -4.159
22 1HG1 ILE 3 HG12 ILE 3 25.061 7.587 -6.676
23 2HG1 ILE 3 HG11 ILE 3 24.142 6.270 -5.951
24 1HG2 ILE 3 HG21 ILE 3 26.839 8.757 -4.537
25 2HG2 ILE 3 HG22 ILE 3 26.821 7.439 -5.707
26 3HG2 ILE 3 HG23 ILE 3 27.043 7.093 -3.992
27 1HD1 ILE 3 HD11 ILE 3 22.260 7.530 -5.722
28 2HD1 ILE 3 HD12 ILE 3 22.957 8.277 -7.160
29 3HD1 ILE 3 HD13 ILE 3 23.155 9.042 -5.582
30 H LYS 4 HN LYS 4 26.900 5.243 -3.626
31 HA LYS 4 HA LYS 4 25.673 2.743 -4.485
32 1HB LYS 4 HB2 LYS 4 27.762 4.246 -6.039
33 2HB LYS 4 HB1 LYS 4 27.573 2.509 -6.205
34 1HG LYS 4 HG2 LYS 4 25.433 4.558 -6.748
35 2HG LYS 4 HG1 LYS 4 26.414 3.743 -7.969
36 1HD LYS 4 HD2 LYS 4 25.389 1.687 -7.598
37 2HD LYS 4 HD1 LYS 4 24.807 2.158 -6.000
38 1HE LYS 4 HE2 LYS 4 23.820 3.731 -8.306
39 2HE LYS 4 HE1 LYS 4 23.232 2.075 -8.164
40 1HZ LYS 4 HZ1 LYS 4 22.033 2.558 -6.334
41 2HZ LYS 4 HZ2 LYS 4 22.089 4.140 -6.947
42 3HZ LYS 4 HZ3 LYS 4 23.167 3.667 -5.729
43 HA PRO 5 HA PRO 5 28.948 1.859 -1.366
44 1HB PRO 5 HB2 PRO 5 27.440 0.090 0.024
45 2HB PRO 5 HB1 PRO 5 27.465 1.824 0.370
46 1HG PRO 5 HG2 PRO 5 25.453 0.222 -1.154
47 2HG PRO 5 HG1 PRO 5 25.195 1.558 -0.018
48 1HD PRO 5 HD2 PRO 5 25.089 1.858 -2.719
49 2HD PRO 5 HD1 PRO 5 25.587 3.155 -1.614
50 H GLU 6 HN GLU 6 26.954 -0.869 -1.401
51 HA GLU 6 HA GLU 6 28.385 -2.202 -3.559
52 1HB GLU 6 HB2 GLU 6 29.670 -2.790 -1.557
53 2HB GLU 6 HB1 GLU 6 28.203 -3.320 -0.748
54 1HG GLU 6 HG2 GLU 6 29.246 -5.285 -1.449
55 2HG GLU 6 HG1 GLU 6 27.968 -5.014 -2.632
56 H ALA 7 HN ALA 7 26.139 -2.991 -0.926
57 HA ALA 7 HA ALA 7 23.953 -3.555 -0.864
58 1HB ALA 7 HB1 ALA 7 22.513 -2.603 -2.322
59 2HB ALA 7 HB2 ALA 7 23.429 -3.109 -3.739
60 3HB ALA 7 HB3 ALA 7 23.961 -1.716 -2.799
61 HA PRO 8 HA PRO 8 24.288 -7.736 -2.474
62 1HB PRO 8 HB2 PRO 8 22.957 -8.928 -0.479
63 2HB PRO 8 HB1 PRO 8 24.597 -8.313 -0.238
64 1HG PRO 8 HG2 PRO 8 21.987 -7.136 0.597
65 2HG PRO 8 HG1 PRO 8 23.536 -7.157 1.457
66 1HD PRO 8 HD2 PRO 8 22.531 -5.021 -0.027
67 2HD PRO 8 HD1 PRO 8 24.223 -5.234 0.455
68 H GLY 9 HN GLY 9 22.020 -9.414 -1.777
69 1HA GLY 9 HA2 GLY 9 19.906 -8.120 -3.382
70 2HA GLY 9 HA1 GLY 9 20.276 -9.839 -3.463
71 H GLU 10 HN GLU 10 19.198 -11.189 -2.163
72 HA GLU 10 HA GLU 10 17.921 -10.043 0.218
73 1HB GLU 10 HB2 GLU 10 16.677 -11.894 -1.809
74 2HB GLU 10 HB1 GLU 10 16.005 -11.657 -0.202
75 1HG GLU 10 HG2 GLU 10 14.813 -10.026 -1.126
76 2HG GLU 10 HG1 GLU 10 16.304 -9.086 -1.099
77 H ASP 11 HN ASP 11 19.939 -12.365 -1.084
78 HA ASP 11 HA ASP 11 19.440 -14.461 0.798
79 1HB ASP 11 HB2 ASP 11 20.737 -15.625 -0.604
80 2HB ASP 11 HB1 ASP 11 20.954 -14.167 -1.559
81 H ALA 12 HN ALA 12 21.712 -11.798 0.521
82 HA ALA 12 HA ALA 12 23.051 -10.738 1.990
83 1HB ALA 12 HB1 ALA 12 20.867 -11.681 3.813
84 2HB ALA 12 HB2 ALA 12 21.111 -10.082 3.114
85 3HB ALA 12 HB3 ALA 12 22.192 -10.665 4.381
86 H SER 13 HN SER 13 22.290 -12.932 4.576
87 HA SER 13 HA SER 13 23.537 -14.353 5.813
88 1HB SER 13 HB2 SER 13 24.937 -14.671 3.169
89 2HB SER 13 HB1 SER 13 25.494 -15.519 4.613
90 HG SER 13 HG SER 13 23.749 -16.451 3.049
91 HA PRO 14 HA PRO 14 26.400 -11.834 7.838
92 1HB PRO 14 HB2 PRO 14 28.037 -13.669 9.062
93 2HB PRO 14 HB1 PRO 14 26.417 -13.239 9.620
94 1HG PRO 14 HG2 PRO 14 27.303 -15.574 7.979
95 2HG PRO 14 HG1 PRO 14 26.135 -15.520 9.313
96 1HD PRO 14 HD2 PRO 14 25.345 -15.617 6.746
97 2HD PRO 14 HD1 PRO 14 24.448 -14.683 7.964
98 H GLU 15 HN GLU 15 27.563 -13.718 5.265
99 HA GLU 15 HA GLU 15 30.248 -12.581 5.555
100 1HB GLU 15 HB2 GLU 15 29.478 -15.057 4.699
101 2HB GLU 15 HB1 GLU 15 29.714 -14.215 3.175
102 1HG GLU 15 HG2 GLU 15 31.690 -15.488 4.140
103 2HG GLU 15 HG1 GLU 15 31.978 -13.836 3.598
104 H GLU 16 HN GLU 16 27.590 -12.691 3.199
105 HA GLU 16 HA GLU 16 28.842 -10.841 1.422
106 1HB GLU 16 HB2 GLU 16 26.472 -12.478 1.433
107 2HB GLU 16 HB1 GLU 16 26.070 -10.846 0.923
108 1HG GLU 16 HG2 GLU 16 26.983 -12.828 -0.697
109 2HG GLU 16 HG1 GLU 16 27.050 -11.105 -1.057
110 H LEU 17 HN LEU 17 26.322 -10.663 3.894
111 HA LEU 17 HA LEU 17 25.728 -7.922 3.528
112 1HB LEU 17 HB2 LEU 17 24.572 -9.841 4.979
113 2HB LEU 17 HB1 LEU 17 25.547 -9.119 6.246
114 HG LEU 17 HG LEU 17 24.487 -6.917 5.728
115 1HD1 LEU 17 HD11 LEU 17 23.728 -8.024 3.395
116 2HD1 LEU 17 HD12 LEU 17 22.943 -6.621 4.117
117 3HD1 LEU 17 HD13 LEU 17 22.249 -8.228 4.332
118 1HD2 LEU 17 HD21 LEU 17 23.147 -9.282 6.862
119 2HD2 LEU 17 HD22 LEU 17 22.092 -7.920 6.482
120 3HD2 LEU 17 HD23 LEU 17 23.458 -7.698 7.574
121 H ASN 18 HN ASN 18 28.121 -9.652 5.444
122 HA ASN 18 HA ASN 18 29.095 -7.323 6.787
123 1HB ASN 18 HB2 ASN 18 29.404 -9.580 7.734
124 2HB ASN 18 HB1 ASN 18 30.426 -10.011 6.366
125 1HD2 ASN 18 HD21 ASN 18 32.510 -9.657 6.501
126 2HD2 ASN 18 HD22 ASN 18 33.304 -8.737 7.738
127 H ARG 19 HN ARG 19 29.827 -8.981 3.775
128 HA ARG 19 HA ARG 19 32.241 -7.580 3.231
129 1HB ARG 19 HB2 ARG 19 30.614 -9.499 1.913
130 2HB ARG 19 HB1 ARG 19 30.880 -8.165 0.797
131 1HG ARG 19 HG2 ARG 19 33.372 -8.427 1.570
132 2HG ARG 19 HG1 ARG 19 32.841 -10.054 2.003
133 1HD ARG 19 HD2 ARG 19 32.315 -8.868 -0.707
134 2HD ARG 19 HD1 ARG 19 33.816 -9.715 -0.336
135 HE ARG 19 HE ARG 19 31.115 -10.912 -0.311
136 1HH1 ARG 19 HH11 ARG 19 34.596 -11.221 -0.530
137 2HH1 ARG 19 HH12 ARG 19 34.557 -12.933 -0.826
138 1HH2 ARG 19 HH21 ARG 19 31.033 -13.132 -0.687
139 2HH2 ARG 19 HH22 ARG 19 32.515 -14.026 -0.935
140 H TYR 20 HN TYR 20 28.929 -7.074 2.024
141 HA TYR 20 HA TYR 20 29.420 -4.612 0.769
142 1HB TYR 20 HB2 TYR 20 27.308 -4.982 0.122
143 2HB TYR 20 HB1 TYR 20 27.173 -6.288 1.290
144 HD1 TYR 20 HD1 TYR 20 26.348 -2.808 0.555
145 HD2 TYR 20 HD2 TYR 20 26.124 -5.905 3.466
146 HE1 TYR 20 HE1 TYR 20 24.646 -1.524 1.779
147 HE2 TYR 20 HE2 TYR 20 24.423 -4.625 4.708
148 HH TYR 20 HH TYR 20 22.601 -2.645 3.808
149 H TYR 21 HN TYR 21 28.753 -5.471 4.055
150 HA TYR 21 HA TYR 21 28.130 -3.051 5.235
151 1HB TYR 21 HB2 TYR 21 28.549 -5.575 6.099
152 2HB TYR 21 HB1 TYR 21 30.018 -4.806 6.683
153 HD1 TYR 21 HD1 TYR 21 26.340 -4.745 6.858
154 HD2 TYR 21 HD2 TYR 21 29.987 -3.381 8.545
155 HE1 TYR 21 HE1 TYR 21 25.113 -3.925 8.807
156 HE2 TYR 21 HE2 TYR 21 28.791 -2.554 10.509
157 HH TYR 21 HH TYR 21 25.564 -3.416 11.183
158 H ALA 22 HN ALA 22 31.340 -4.552 5.073
159 HA ALA 22 HA ALA 22 32.622 -2.196 6.025
160 1HB ALA 22 HB1 ALA 22 33.548 -4.309 6.589
161 2HB ALA 22 HB2 ALA 22 34.712 -3.464 5.562
162 3HB ALA 22 HB3 ALA 22 33.714 -4.755 4.890
163 H SER 23 HN SER 23 31.776 -3.392 2.888
164 HA SER 23 HA SER 23 33.487 -1.679 1.390
165 1HB SER 23 HB2 SER 23 30.869 -3.024 0.700
166 2HB SER 23 HB1 SER 23 31.822 -2.095 -0.458
167 HG SER 23 HG SER 23 33.038 -3.775 -0.710
168 H LEU 24 HN LEU 24 30.445 -1.270 3.008
169 HA LEU 24 HA LEU 24 29.785 1.253 1.838
170 1HB LEU 24 HB2 LEU 24 28.022 -0.135 2.760
171 2HB LEU 24 HB1 LEU 24 28.821 -0.175 4.319
172 HG LEU 24 HG LEU 24 28.275 2.550 3.553
173 1HD1 LEU 24 HD11 LEU 24 26.466 1.456 2.250
174 2HD1 LEU 24 HD12 LEU 24 25.881 2.508 3.539
175 3HD1 LEU 24 HD13 LEU 24 25.865 0.759 3.755
176 1HD2 LEU 24 HD21 LEU 24 28.574 1.163 5.842
177 2HD2 LEU 24 HD22 LEU 24 26.816 1.264 5.767
178 3HD2 LEU 24 HD23 LEU 24 27.783 2.738 5.748
179 H ARG 25 HN ARG 25 31.373 0.069 4.758
180 HA ARG 25 HA ARG 25 31.888 2.629 5.859
181 1HB ARG 25 HB2 ARG 25 32.364 -0.040 6.609
182 2HB ARG 25 HB1 ARG 25 33.945 0.725 6.539
183 1HG ARG 25 HG2 ARG 25 32.449 0.759 8.728
184 2HG ARG 25 HG1 ARG 25 33.522 2.093 8.298
185 1HD ARG 25 HD2 ARG 25 31.377 2.929 6.997
186 2HD ARG 25 HD1 ARG 25 30.549 1.923 8.182
187 HE ARG 25 HE ARG 25 31.066 3.440 9.819
188 1HH1 ARG 25 HH11 ARG 25 32.955 4.190 6.948
189 2HH1 ARG 25 HH12 ARG 25 33.523 5.710 7.569
190 1HH2 ARG 25 HH21 ARG 25 31.795 5.428 10.609
191 2HH2 ARG 25 HH22 ARG 25 32.849 6.417 9.647
192 H HIS 26 HN HIS 26 33.599 0.563 3.600
193 HA HIS 26 HA HIS 26 35.947 2.114 3.318
194 1HB HIS 26 HB2 HIS 26 35.065 -0.289 2.335
195 2HB HIS 26 HB1 HIS 26 34.956 0.727 0.906
196 HD1 HIS 26 HD1 HIS 26 36.975 -1.671 1.359
197 HD2 HIS 26 HD2 HIS 26 37.848 2.381 1.717
198 HE1 HIS 26 HE1 HIS 26 39.457 -1.474 0.999
199 HE2 HIS 26 HE2 HIS 26 39.938 0.998 1.060
200 H TYR 27 HN TYR 27 32.938 1.958 1.447
201 HA TYR 27 HA TYR 27 33.517 4.002 -0.371
202 1HB TYR 27 HB2 TYR 27 31.650 2.323 -0.554
203 2HB TYR 27 HB1 TYR 27 30.773 3.250 0.660
204 HD1 TYR 27 HD1 TYR 27 28.915 4.084 -0.532
205 HD2 TYR 27 HD2 TYR 27 32.816 4.500 -2.185
206 HE1 TYR 27 HE1 TYR 27 28.012 5.534 -2.278
207 HE2 TYR 27 HE2 TYR 27 31.914 5.952 -3.953
208 HH TYR 27 HH TYR 27 29.880 7.483 -4.228
209 H LEU 28 HN LEU 28 31.766 4.081 2.721
210 HA LEU 28 HA LEU 28 31.124 6.835 2.590
211 1HB LEU 28 HB2 LEU 28 31.375 4.956 4.927
212 2HB LEU 28 HB1 LEU 28 30.881 6.627 5.112
213 HG LEU 28 HG LEU 28 29.352 4.301 4.179
214 1HD1 LEU 28 HD11 LEU 28 28.863 5.566 6.227
215 2HD1 LEU 28 HD12 LEU 28 27.505 5.560 5.102
216 3HD1 LEU 28 HD13 LEU 28 28.522 6.995 5.250
217 1HD2 LEU 28 HD21 LEU 28 29.599 6.666 2.465
218 2HD2 LEU 28 HD22 LEU 28 27.941 6.236 2.883
219 3HD2 LEU 28 HD23 LEU 28 28.988 5.051 2.099
220 H ASN 29 HN ASN 29 33.944 5.159 3.871
221 HA ASN 29 HA ASN 29 35.081 7.403 5.177
222 1HB ASN 29 HB2 ASN 29 35.719 5.003 5.565
223 2HB ASN 29 HB1 ASN 29 36.558 5.034 4.017
224 1HD2 ASN 29 HD21 ASN 29 36.386 7.597 6.431
225 2HD2 ASN 29 HD22 ASN 29 38.082 7.621 6.783
226 H LEU 30 HN LEU 30 35.696 5.927 2.002
227 HA LEU 30 HA LEU 30 37.608 7.853 1.198
228 1HB LEU 30 HB2 LEU 30 36.016 5.748 -0.206
229 2HB LEU 30 HB1 LEU 30 36.909 6.924 -1.150
230 HG LEU 30 HG LEU 30 38.174 5.169 0.954
231 1HD1 LEU 30 HD11 LEU 30 38.100 3.484 -0.485
232 2HD1 LEU 30 HD12 LEU 30 39.033 4.451 -1.627
233 3HD1 LEU 30 HD13 LEU 30 37.271 4.493 -1.672
234 1HD2 LEU 30 HD21 LEU 30 39.403 7.210 0.514
235 2HD2 LEU 30 HD22 LEU 30 39.329 6.910 -1.222
236 3HD2 LEU 30 HD23 LEU 30 40.257 5.832 -0.179
237 H VAL 31 HN VAL 31 34.119 7.727 0.999
238 HA VAL 31 HA VAL 31 33.819 9.815 -0.898
239 HB VAL 31 HB VAL 31 32.088 8.046 0.310
240 1HG1 VAL 31 HG11 VAL 31 30.681 10.506 1.001
241 2HG1 VAL 31 HG12 VAL 31 32.040 10.147 2.067
242 3HG1 VAL 31 HG13 VAL 31 30.753 8.960 1.848
243 1HG2 VAL 31 HG21 VAL 31 32.074 9.272 -1.948
244 2HG2 VAL 31 HG22 VAL 31 31.086 10.478 -1.122
245 3HG2 VAL 31 HG23 VAL 31 30.528 8.809 -1.237
246 H THR 32 HN THR 32 34.554 9.777 2.471
247 HA THR 32 HA THR 32 34.123 12.674 2.636
248 HB THR 32 HB THR 32 35.050 11.062 4.983
249 HG1 THR 32 HG1 THR 32 33.243 9.895 4.110
250 1HG2 THR 32 HG21 THR 32 34.398 12.855 6.178
251 2HG2 THR 32 HG22 THR 32 32.910 13.050 5.252
252 3HG2 THR 32 HG23 THR 32 34.428 13.697 4.628
253 H ARG 33 HN ARG 33 36.388 10.789 1.467
254 HA ARG 33 HA ARG 33 38.539 12.615 2.177
255 1HB ARG 33 HB2 ARG 33 38.447 10.364 3.616
256 2HB ARG 33 HB1 ARG 33 39.264 9.726 2.196
257 1HG ARG 33 HG2 ARG 33 41.141 10.411 3.170
258 2HG ARG 33 HG1 ARG 33 40.651 12.041 2.701
259 1HD ARG 33 HD2 ARG 33 40.181 10.667 5.340
260 2HD ARG 33 HD1 ARG 33 41.194 12.075 5.027
261 HE ARG 33 HE ARG 33 38.368 12.376 4.402
262 1HH1 ARG 33 HH11 ARG 33 40.918 12.857 6.756
263 2HH1 ARG 33 HH12 ARG 33 40.057 14.090 7.628
264 1HH2 ARG 33 HH21 ARG 33 37.233 13.984 5.540
265 2HH2 ARG 33 HH22 ARG 33 37.965 14.751 6.919
266 H GLN 34 HN GLN 34 37.610 13.012 -0.093
267 HA GLN 34 HA GLN 34 38.383 11.227 -2.193
268 1HB GLN 34 HB2 GLN 34 36.847 13.632 -1.921
269 2HB GLN 34 HB1 GLN 34 38.029 13.852 -3.207
270 1HG GLN 34 HG2 GLN 34 37.086 11.403 -3.820
271 2HG GLN 34 HG1 GLN 34 35.655 12.127 -3.089
272 1HE2 GLN 34 HE21 GLN 34 38.258 13.219 -5.261
273 2HE2 GLN 34 HE22 GLN 34 37.204 13.925 -6.433
274 H ARG 35 HN ARG 35 40.631 11.424 -0.831
275 HA ARG 35 HA ARG 35 42.298 13.535 -1.985
276 1HB ARG 35 HB2 ARG 35 42.541 13.294 0.395
277 2HB ARG 35 HB1 ARG 35 42.766 11.558 0.251
278 1HG ARG 35 HG2 ARG 35 44.947 11.983 0.360
279 2HG ARG 35 HG1 ARG 35 44.803 12.572 -1.297
280 1HD ARG 35 HD2 ARG 35 44.480 14.828 -0.510
281 2HD ARG 35 HD1 ARG 35 44.458 14.277 1.166
282 HE ARG 35 HE ARG 35 46.865 13.658 -0.339
283 1HH1 ARG 35 HH11 ARG 35 45.260 15.876 1.846
284 2HH1 ARG 35 HH12 ARG 35 46.745 16.550 2.456
285 1HH2 ARG 35 HH21 ARG 35 48.820 14.527 0.468
286 2HH2 ARG 35 HH22 ARG 35 48.773 15.799 1.657
287 H TYR 36 HN TYR 36 42.529 12.831 -4.068
288 HA TYR 36 HA TYR 36 43.396 11.716 -5.837
289 1HB TYR 36 HB2 TYR 36 45.416 12.051 -3.961
290 2HB TYR 36 HB1 TYR 36 45.548 10.356 -4.418
291 HD1 TYR 36 HD1 TYR 36 44.371 13.024 -6.677
292 HD2 TYR 36 HD2 TYR 36 47.623 10.509 -5.581
293 HE1 TYR 36 HE1 TYR 36 45.548 13.659 -8.740
294 HE2 TYR 36 HE2 TYR 36 48.816 11.141 -7.637
295 HH TYR 36 HH TYR 36 48.326 11.994 -9.862
296 1HN NH2 37 H1 NH2 37 41.629 8.609 -5.226
297 2HN NH2 37 H2 NH2 37 41.326 10.305 -5.350
Start of MODEL 2
1 1H TYR 1 HT1 TYR 1 35.691 1.602 -12.879
2 2H TYR 1 HT2 TYR 1 34.244 1.826 -13.732
3 3H TYR 1 HT3 TYR 1 34.678 0.277 -13.193
4 HA TYR 1 HA TYR 1 33.932 2.598 -11.520
5 1HB TYR 1 HB2 TYR 1 32.582 0.028 -12.294
6 2HB TYR 1 HB1 TYR 1 32.214 0.777 -10.746
7 HD1 TYR 1 HD1 TYR 1 32.621 3.671 -11.980
8 HD2 TYR 1 HD2 TYR 1 30.281 0.276 -13.034
9 HE1 TYR 1 HE1 TYR 1 30.990 5.146 -13.087
10 HE2 TYR 1 HE2 TYR 1 28.651 1.733 -14.151
11 HH TYR 1 HH TYR 1 28.820 4.153 -15.270
12 HA PRO 2 HA PRO 2 36.269 0.502 -8.331
13 1HB PRO 2 HB2 PRO 2 35.305 1.816 -6.183
14 2HB PRO 2 HB1 PRO 2 36.412 2.581 -7.329
15 1HG PRO 2 HG2 PRO 2 33.447 2.843 -7.091
16 2HG PRO 2 HG1 PRO 2 34.657 4.090 -7.435
17 1HD PRO 2 HD2 PRO 2 33.106 2.878 -9.352
18 2HD PRO 2 HD1 PRO 2 34.692 3.605 -9.670
19 H ILE 3 HN ILE 3 35.293 0.043 -5.764
20 HA ILE 3 HA ILE 3 33.853 -2.322 -6.030
21 HB ILE 3 HB ILE 3 34.786 -2.413 -3.984
22 1HG1 ILE 3 HG12 ILE 3 33.146 -1.205 -2.198
23 2HG1 ILE 3 HG11 ILE 3 32.085 -1.253 -3.606
24 1HG2 ILE 3 HG21 ILE 3 36.045 -0.608 -3.608
25 2HG2 ILE 3 HG22 ILE 3 34.710 -0.064 -2.590
26 3HG2 ILE 3 HG23 ILE 3 34.833 0.494 -4.260
27 1HD1 ILE 3 HD11 ILE 3 32.572 -3.294 -1.763
28 2HD1 ILE 3 HD12 ILE 3 33.387 -3.792 -3.247
29 3HD1 ILE 3 HD13 ILE 3 31.666 -3.403 -3.272
30 H LYS 4 HN LYS 4 32.733 0.894 -5.087
31 HA LYS 4 HA LYS 4 30.658 1.636 -4.443
32 1HB LYS 4 HB2 LYS 4 29.063 1.464 -6.498
33 2HB LYS 4 HB1 LYS 4 30.515 2.446 -6.574
34 1HG LYS 4 HG2 LYS 4 31.122 1.360 -8.393
35 2HG LYS 4 HG1 LYS 4 31.228 -0.130 -7.452
36 1HD LYS 4 HD2 LYS 4 28.525 0.137 -7.871
37 2HD LYS 4 HD1 LYS 4 29.214 0.737 -9.381
38 1HE LYS 4 HE2 LYS 4 28.956 -1.546 -9.761
39 2HE LYS 4 HE1 LYS 4 30.657 -1.378 -9.333
40 1HZ LYS 4 HZ1 LYS 4 30.178 -2.135 -7.117
41 2HZ LYS 4 HZ2 LYS 4 29.557 -3.262 -8.225
42 3HZ LYS 4 HZ3 LYS 4 28.510 -2.186 -7.438
43 HA PRO 5 HA PRO 5 28.854 -2.360 -3.181
44 1HB PRO 5 HB2 PRO 5 28.267 -1.647 -0.643
45 2HB PRO 5 HB1 PRO 5 29.888 -2.148 -1.138
46 1HG PRO 5 HG2 PRO 5 28.798 0.603 -0.716
47 2HG PRO 5 HG1 PRO 5 30.375 -0.059 -0.250
48 1HD PRO 5 HD2 PRO 5 30.002 1.497 -2.455
49 2HD PRO 5 HD1 PRO 5 31.270 0.266 -2.335
50 H GLU 6 HN GLU 6 26.962 -2.452 -4.268
51 HA GLU 6 HA GLU 6 24.751 -0.711 -3.590
52 1HB GLU 6 HB2 GLU 6 24.691 -3.237 -5.253
53 2HB GLU 6 HB1 GLU 6 23.504 -1.941 -5.242
54 1HG GLU 6 HG2 GLU 6 24.600 -0.823 -6.805
55 2HG GLU 6 HG1 GLU 6 26.109 -0.914 -5.895
56 H ALA 7 HN ALA 7 22.574 -2.166 -3.301
57 HA ALA 7 HA ALA 7 22.785 -3.283 -0.715
58 1HB ALA 7 HB1 ALA 7 20.421 -4.234 -1.954
59 2HB ALA 7 HB2 ALA 7 20.700 -2.581 -2.503
60 3HB ALA 7 HB3 ALA 7 20.606 -2.933 -0.778
61 HA PRO 8 HA PRO 8 24.232 -7.294 -1.562
62 1HB PRO 8 HB2 PRO 8 23.303 -8.674 0.567
63 2HB PRO 8 HB1 PRO 8 24.558 -7.438 0.704
64 1HG PRO 8 HG2 PRO 8 21.626 -7.230 1.268
65 2HG PRO 8 HG1 PRO 8 22.991 -6.605 2.210
66 1HD PRO 8 HD2 PRO 8 21.518 -5.056 0.537
67 2HD PRO 8 HD1 PRO 8 23.236 -4.758 0.863
68 H GLY 9 HN GLY 9 21.216 -6.610 -2.331
69 1HA GLY 9 HA2 GLY 9 19.774 -7.736 -3.751
70 2HA GLY 9 HA1 GLY 9 20.777 -9.171 -3.570
71 H GLU 10 HN GLU 10 20.096 -7.905 -0.617
72 HA GLU 10 HA GLU 10 18.862 -8.509 1.149
73 1HB GLU 10 HB2 GLU 10 16.854 -8.795 -1.055
74 2HB GLU 10 HB1 GLU 10 16.428 -9.219 0.599
75 1HG GLU 10 HG2 GLU 10 15.840 -7.077 0.794
76 2HG GLU 10 HG1 GLU 10 17.569 -6.772 0.937
77 H ASP 11 HN ASP 11 20.180 -10.635 -0.781
78 HA ASP 11 HA ASP 11 19.026 -12.991 0.563
79 1HB ASP 11 HB2 ASP 11 18.966 -12.812 -2.019
80 2HB ASP 11 HB1 ASP 11 20.702 -13.109 -1.942
81 H ALA 12 HN ALA 12 21.495 -10.911 0.724
82 HA ALA 12 HA ALA 12 23.494 -12.915 1.507
83 1HB ALA 12 HB1 ALA 12 24.740 -10.429 1.404
84 2HB ALA 12 HB2 ALA 12 23.637 -10.435 0.026
85 3HB ALA 12 HB3 ALA 12 24.840 -11.714 0.198
86 H SER 13 HN SER 13 23.263 -13.296 3.617
87 HA SER 13 HA SER 13 22.704 -11.027 5.387
88 1HB SER 13 HB2 SER 13 22.425 -13.792 6.420
89 2HB SER 13 HB1 SER 13 21.419 -12.372 6.698
90 HG SER 13 HG SER 13 21.499 -13.956 4.333
91 HA PRO 14 HA PRO 14 26.190 -13.174 7.742
92 1HB PRO 14 HB2 PRO 14 27.493 -15.266 6.316
93 2HB PRO 14 HB1 PRO 14 26.413 -15.416 7.704
94 1HG PRO 14 HG2 PRO 14 25.847 -16.302 5.140
95 2HG PRO 14 HG1 PRO 14 24.641 -15.986 6.399
96 1HD PRO 14 HD2 PRO 14 25.489 -14.266 4.106
97 2HD PRO 14 HD1 PRO 14 23.869 -14.515 4.791
98 H GLU 15 HN GLU 15 28.406 -14.552 5.691
99 HA GLU 15 HA GLU 15 30.250 -12.464 6.125
100 1HB GLU 15 HB2 GLU 15 30.256 -15.112 4.908
101 2HB GLU 15 HB1 GLU 15 31.338 -13.991 4.090
102 1HG GLU 15 HG2 GLU 15 31.425 -14.125 7.056
103 2HG GLU 15 HG1 GLU 15 32.135 -15.447 6.129
104 H GLU 16 HN GLU 16 28.123 -13.183 3.511
105 HA GLU 16 HA GLU 16 29.258 -11.554 1.520
106 1HB GLU 16 HB2 GLU 16 26.434 -12.502 2.017
107 2HB GLU 16 HB1 GLU 16 26.901 -11.585 0.590
108 1HG GLU 16 HG2 GLU 16 26.997 -13.735 -0.187
109 2HG GLU 16 HG1 GLU 16 28.671 -13.457 0.285
110 H LEU 17 HN LEU 17 26.838 -10.980 4.053
111 HA LEU 17 HA LEU 17 26.431 -8.242 3.299
112 1HB LEU 17 HB2 LEU 17 24.729 -9.539 4.543
113 2HB LEU 17 HB1 LEU 17 25.818 -9.631 5.913
114 HG LEU 17 HG LEU 17 25.591 -6.897 5.340
115 1HD1 LEU 17 HD11 LEU 17 23.107 -6.613 5.551
116 2HD1 LEU 17 HD12 LEU 17 22.947 -8.322 5.140
117 3HD1 LEU 17 HD13 LEU 17 23.664 -7.199 3.983
118 1HD2 LEU 17 HD21 LEU 17 24.733 -8.777 7.462
119 2HD2 LEU 17 HD22 LEU 17 24.034 -7.159 7.475
120 3HD2 LEU 17 HD23 LEU 17 25.783 -7.365 7.556
121 H ASN 18 HN ASN 18 28.382 -10.007 5.616
122 HA ASN 18 HA ASN 18 29.580 -7.893 6.982
123 1HB ASN 18 HB2 ASN 18 29.853 -10.219 7.665
124 2HB ASN 18 HB1 ASN 18 30.747 -10.572 6.190
125 1HD2 ASN 18 HD21 ASN 18 32.767 -10.941 6.729
126 2HD2 ASN 18 HD22 ASN 18 33.720 -9.968 7.801
127 H ARG 19 HN ARG 19 30.495 -9.467 3.932
128 HA ARG 19 HA ARG 19 32.874 -8.002 3.512
129 1HB ARG 19 HB2 ARG 19 31.007 -9.473 1.671
130 2HB ARG 19 HB1 ARG 19 32.374 -8.574 1.032
131 1HG ARG 19 HG2 ARG 19 32.332 -11.068 2.650
132 2HG ARG 19 HG1 ARG 19 33.277 -10.666 1.219
133 1HD ARG 19 HD2 ARG 19 34.910 -9.624 2.419
134 2HD ARG 19 HD1 ARG 19 33.801 -9.107 3.687
135 HE ARG 19 HE ARG 19 33.837 -11.469 4.469
136 1HH1 ARG 19 HH11 ARG 19 36.479 -10.213 2.536
137 2HH1 ARG 19 HH12 ARG 19 37.637 -11.368 3.124
138 1HH2 ARG 19 HH21 ARG 19 35.342 -12.978 5.263
139 2HH2 ARG 19 HH22 ARG 19 36.986 -12.939 4.688
140 H TYR 20 HN TYR 20 29.625 -7.501 2.107
141 HA TYR 20 HA TYR 20 30.296 -5.088 0.807
142 1HB TYR 20 HB2 TYR 20 28.294 -5.481 -0.109
143 2HB TYR 20 HB1 TYR 20 28.022 -6.774 1.043
144 HD1 TYR 20 HD1 TYR 20 26.842 -6.223 3.224
145 HD2 TYR 20 HD2 TYR 20 27.022 -3.490 -0.039
146 HE1 TYR 20 HE1 TYR 20 24.930 -4.987 4.153
147 HE2 TYR 20 HE2 TYR 20 25.108 -2.252 0.886
148 HH TYR 20 HH TYR 20 23.289 -3.458 3.617
149 H TYR 21 HN TYR 21 29.346 -5.836 4.036
150 HA TYR 21 HA TYR 21 28.473 -3.365 4.985
151 1HB TYR 21 HB2 TYR 21 28.775 -5.835 6.045
152 2HB TYR 21 HB1 TYR 21 30.141 -5.014 6.789
153 HD1 TYR 21 HD1 TYR 21 29.816 -3.319 8.438
154 HD2 TYR 21 HD2 TYR 21 26.497 -5.151 6.529
155 HE1 TYR 21 HE1 TYR 21 28.339 -2.377 10.145
156 HE2 TYR 21 HE2 TYR 21 24.992 -4.219 8.230
157 HH TYR 21 HH TYR 21 24.826 -2.612 9.871
158 H ALA 22 HN ALA 22 31.691 -4.811 5.444
159 HA ALA 22 HA ALA 22 32.756 -2.402 6.506
160 1HB ALA 22 HB1 ALA 22 34.048 -4.961 5.614
161 2HB ALA 22 HB2 ALA 22 33.663 -4.445 7.260
162 3HB ALA 22 HB3 ALA 22 34.935 -3.625 6.349
163 H SER 23 HN SER 23 32.679 -3.810 3.295
164 HA SER 23 HA SER 23 34.540 -2.055 2.091
165 1HB SER 23 HB2 SER 23 32.126 -3.345 0.798
166 2HB SER 23 HB1 SER 23 33.557 -2.723 -0.026
167 HG SER 23 HG SER 23 33.268 -5.019 1.576
168 H LEU 24 HN LEU 24 31.094 -1.805 2.758
169 HA LEU 24 HA LEU 24 30.599 0.611 1.405
170 1HB LEU 24 HB2 LEU 24 28.735 -0.739 2.041
171 2HB LEU 24 HB1 LEU 24 29.249 -0.774 3.719
172 HG LEU 24 HG LEU 24 28.873 1.835 3.534
173 1HD1 LEU 24 HD11 LEU 24 26.536 1.341 1.928
174 2HD1 LEU 24 HD12 LEU 24 28.004 0.997 1.014
175 3HD1 LEU 24 HD13 LEU 24 27.779 2.587 1.754
176 1HD2 LEU 24 HD21 LEU 24 26.612 1.495 4.388
177 2HD2 LEU 24 HD22 LEU 24 27.745 0.342 5.092
178 3HD2 LEU 24 HD23 LEU 24 26.640 -0.172 3.817
179 H ARG 25 HN ARG 25 31.545 -0.176 4.719
180 HA ARG 25 HA ARG 25 31.471 2.446 5.728
181 1HB ARG 25 HB2 ARG 25 32.970 -0.027 6.550
182 2HB ARG 25 HB1 ARG 25 33.178 1.496 7.406
183 1HG ARG 25 HG2 ARG 25 31.160 1.374 8.395
184 2HG ARG 25 HG1 ARG 25 30.395 0.643 6.982
185 1HD ARG 25 HD2 ARG 25 30.343 -1.134 8.418
186 2HD ARG 25 HD1 ARG 25 31.903 -1.407 7.645
187 HE ARG 25 HE ARG 25 32.261 0.217 9.922
188 1HH1 ARG 25 HH11 ARG 25 31.484 -3.108 9.099
189 2HH1 ARG 25 HH12 ARG 25 32.166 -3.754 10.560
190 1HH2 ARG 25 HH21 ARG 25 33.137 -0.627 11.821
191 2HH2 ARG 25 HH22 ARG 25 33.082 -2.338 12.112
192 H HIS 26 HN HIS 26 34.078 0.592 4.215
193 HA HIS 26 HA HIS 26 36.069 2.602 4.516
194 1HB HIS 26 HB2 HIS 26 36.118 -0.022 3.818
195 2HB HIS 26 HB1 HIS 26 36.302 0.727 2.238
196 HD1 HIS 26 HD1 HIS 26 38.423 -0.836 4.335
197 HD2 HIS 26 HD2 HIS 26 38.386 3.108 2.986
198 HE1 HIS 26 HE1 HIS 26 40.785 -0.008 4.568
199 HE2 HIS 26 HE2 HIS 26 40.768 2.339 3.659
200 H TYR 27 HN TYR 27 34.050 1.594 1.770
201 HA TYR 27 HA TYR 27 35.041 3.502 -0.038
202 1HB TYR 27 HB2 TYR 27 33.741 1.467 -0.676
203 2HB TYR 27 HB1 TYR 27 32.289 2.251 -0.062
204 HD1 TYR 27 HD1 TYR 27 30.968 3.445 -1.542
205 HD2 TYR 27 HD2 TYR 27 35.079 2.858 -2.478
206 HE1 TYR 27 HE1 TYR 27 30.618 4.519 -3.726
207 HE2 TYR 27 HE2 TYR 27 34.739 3.927 -4.664
208 HH TYR 27 HH TYR 27 32.096 5.768 -5.421
209 H LEU 28 HN LEU 28 32.125 3.529 2.011
210 HA LEU 28 HA LEU 28 31.246 6.089 1.171
211 1HB LEU 28 HB2 LEU 28 30.537 4.193 3.279
212 2HB LEU 28 HB1 LEU 28 30.310 5.864 3.754
213 HG LEU 28 HG LEU 28 28.810 6.238 1.895
214 1HD1 LEU 28 HD11 LEU 28 29.891 4.796 0.254
215 2HD1 LEU 28 HD12 LEU 28 28.157 4.477 0.365
216 3HD1 LEU 28 HD13 LEU 28 29.313 3.377 1.124
217 1HD2 LEU 28 HD21 LEU 28 27.010 5.264 2.855
218 2HD2 LEU 28 HD22 LEU 28 28.197 4.902 4.111
219 3HD2 LEU 28 HD23 LEU 28 27.767 3.674 2.919
220 H ASN 29 HN ASN 29 33.531 5.084 3.650
221 HA ASN 29 HA ASN 29 33.870 7.569 4.927
222 1HB ASN 29 HB2 ASN 29 34.829 5.656 5.970
223 2HB ASN 29 HB1 ASN 29 35.727 5.222 4.523
224 1HD2 ASN 29 HD21 ASN 29 35.618 7.215 7.339
225 2HD2 ASN 29 HD22 ASN 29 37.221 7.859 7.205
226 H LEU 30 HN LEU 30 35.289 6.215 1.993
227 HA LEU 30 HA LEU 30 36.976 8.479 1.500
228 1HB LEU 30 HB2 LEU 30 36.462 5.936 0.293
229 2HB LEU 30 HB1 LEU 30 36.343 7.179 -0.937
230 HG LEU 30 HG LEU 30 38.693 7.500 0.760
231 1HD1 LEU 30 HD11 LEU 30 38.397 4.980 -0.868
232 2HD1 LEU 30 HD12 LEU 30 38.624 5.089 0.877
233 3HD1 LEU 30 HD13 LEU 30 39.916 5.590 -0.213
234 1HD2 LEU 30 HD21 LEU 30 39.531 8.364 -1.130
235 2HD2 LEU 30 HD22 LEU 30 37.874 8.282 -1.731
236 3HD2 LEU 30 HD23 LEU 30 39.011 6.986 -2.101
237 H VAL 31 HN VAL 31 33.688 7.611 0.713
238 HA VAL 31 HA VAL 31 33.293 9.596 -1.296
239 HB VAL 31 HB VAL 31 31.292 8.013 0.324
240 1HG1 VAL 31 HG11 VAL 31 30.661 10.307 -0.944
241 2HG1 VAL 31 HG12 VAL 31 29.557 8.941 -0.775
242 3HG1 VAL 31 HG13 VAL 31 30.475 9.151 -2.267
243 1HG2 VAL 31 HG21 VAL 31 32.719 6.653 -1.105
244 2HG2 VAL 31 HG22 VAL 31 32.304 7.656 -2.493
245 3HG2 VAL 31 HG23 VAL 31 31.065 6.676 -1.711
246 H THR 32 HN THR 32 33.346 9.732 2.144
247 HA THR 32 HA THR 32 31.486 11.887 2.450
248 HB THR 32 HB THR 32 33.340 11.825 4.633
249 HG1 THR 32 HG1 THR 32 32.363 9.283 3.760
250 1HG2 THR 32 HG21 THR 32 30.691 12.164 4.317
251 2HG2 THR 32 HG22 THR 32 31.430 11.732 5.857
252 3HG2 THR 32 HG23 THR 32 30.713 10.482 4.844
253 H ARG 33 HN ARG 33 33.777 12.253 0.559
254 HA ARG 33 HA ARG 33 35.107 14.589 1.677
255 1HB ARG 33 HB2 ARG 33 36.406 14.631 -0.328
256 2HB ARG 33 HB1 ARG 33 36.277 12.945 0.149
257 1HG ARG 33 HG2 ARG 33 34.124 13.243 -1.515
258 2HG ARG 33 HG1 ARG 33 35.329 14.294 -2.258
259 1HD ARG 33 HD2 ARG 33 36.810 12.544 -2.631
260 2HD ARG 33 HD1 ARG 33 36.061 11.521 -1.408
261 HE ARG 33 HE ARG 33 34.103 11.844 -3.268
262 1HH1 ARG 33 HH11 ARG 33 37.446 10.805 -3.466
263 2HH1 ARG 33 HH12 ARG 33 37.150 9.693 -4.775
264 1HH2 ARG 33 HH21 ARG 33 33.729 10.389 -5.010
265 2HH2 ARG 33 HH22 ARG 33 35.060 9.479 -5.648
266 H GLN 34 HN GLN 34 32.140 14.011 0.661
267 HA GLN 34 HA GLN 34 30.370 15.325 0.177
268 1HB GLN 34 HB2 GLN 34 32.363 17.249 0.859
269 2HB GLN 34 HB1 GLN 34 31.446 17.852 -0.515
270 1HG GLN 34 HG2 GLN 34 30.685 18.302 1.964
271 2HG GLN 34 HG1 GLN 34 29.519 18.047 0.668
272 1HE2 GLN 34 HE21 GLN 34 30.951 16.732 3.542
273 2HE2 GLN 34 HE22 GLN 34 29.840 15.421 3.741
274 H ARG 35 HN ARG 35 33.022 14.964 -1.876
275 HA ARG 35 HA ARG 35 31.411 15.639 -4.226
276 1HB ARG 35 HB2 ARG 35 34.266 15.615 -3.650
277 2HB ARG 35 HB1 ARG 35 33.889 14.702 -5.104
278 1HG ARG 35 HG2 ARG 35 34.417 17.018 -5.625
279 2HG ARG 35 HG1 ARG 35 32.744 16.632 -6.041
280 1HD ARG 35 HD2 ARG 35 32.164 18.444 -4.872
281 2HD ARG 35 HD1 ARG 35 32.580 17.516 -3.429
282 HE ARG 35 HE ARG 35 34.580 18.689 -3.257
283 1HH1 ARG 35 HH11 ARG 35 32.804 19.654 -6.130
284 2HH1 ARG 35 HH12 ARG 35 33.833 21.026 -6.446
285 1HH2 ARG 35 HH21 ARG 35 35.877 20.495 -3.633
286 2HH2 ARG 35 HH22 ARG 35 35.585 21.512 -5.018
287 H TYR 36 HN TYR 36 30.411 14.059 -5.322
288 HA TYR 36 HA TYR 36 30.746 11.332 -4.410
289 1HB TYR 36 HB2 TYR 36 28.649 12.844 -5.601
290 2HB TYR 36 HB1 TYR 36 29.003 11.489 -6.670
291 HD1 TYR 36 HD1 TYR 36 28.111 9.390 -6.208
292 HD2 TYR 36 HD2 TYR 36 28.298 12.282 -3.096
293 HE1 TYR 36 HE1 TYR 36 26.827 7.888 -4.746
294 HE2 TYR 36 HE2 TYR 36 27.006 10.792 -1.624
295 HH TYR 36 HH TYR 36 25.246 8.243 -2.669
296 1HN NH2 37 H1 NH2 37 31.966 11.762 -8.305
297 2HN NH2 37 H2 NH2 37 30.794 12.848 -7.651
Start of MODEL 3
1 1H TYR 1 HT1 TYR 1 36.067 0.561 -9.208
2 2H TYR 1 HT2 TYR 1 37.056 1.778 -8.557
3 3H TYR 1 HT3 TYR 1 36.954 1.576 -10.234
4 HA TYR 1 HA TYR 1 35.634 3.444 -9.039
5 1HB TYR 1 HB2 TYR 1 35.346 1.974 -11.465
6 2HB TYR 1 HB1 TYR 1 33.737 2.336 -10.857
7 HD1 TYR 1 HD1 TYR 1 35.350 4.931 -9.495
8 HD2 TYR 1 HD2 TYR 1 34.446 3.458 -13.384
9 HE1 TYR 1 HE1 TYR 1 35.525 7.214 -10.394
10 HE2 TYR 1 HE2 TYR 1 34.623 5.736 -14.295
11 HH TYR 1 HH TYR 1 36.014 8.290 -12.623
12 HA PRO 2 HA PRO 2 32.756 1.200 -6.300
13 1HB PRO 2 HB2 PRO 2 33.003 3.520 -4.592
14 2HB PRO 2 HB1 PRO 2 33.447 1.847 -4.252
15 1HG PRO 2 HG2 PRO 2 35.275 3.840 -4.553
16 2HG PRO 2 HG1 PRO 2 35.611 2.145 -4.948
17 1HD PRO 2 HD2 PRO 2 34.900 4.410 -6.779
18 2HD PRO 2 HD1 PRO 2 36.106 3.123 -6.995
19 H ILE 3 HN ILE 3 32.522 4.583 -5.697
20 HA ILE 3 HA ILE 3 31.002 6.173 -5.951
21 HB ILE 3 HB ILE 3 30.300 6.720 -8.002
22 1HG1 ILE 3 HG12 ILE 3 29.955 4.039 -9.218
23 2HG1 ILE 3 HG11 ILE 3 28.782 4.498 -7.990
24 1HG2 ILE 3 HG21 ILE 3 32.418 6.505 -8.670
25 2HG2 ILE 3 HG22 ILE 3 31.752 5.242 -9.706
26 3HG2 ILE 3 HG23 ILE 3 32.513 4.813 -8.173
27 1HD1 ILE 3 HD11 ILE 3 28.925 5.283 -10.728
28 2HD1 ILE 3 HD12 ILE 3 29.045 6.712 -9.702
29 3HD1 ILE 3 HD13 ILE 3 27.670 5.615 -9.534
30 H LYS 4 HN LYS 4 29.527 3.010 -6.531
31 HA LYS 4 HA LYS 4 27.646 3.472 -4.429
32 1HB LYS 4 HB2 LYS 4 26.846 4.409 -6.933
33 2HB LYS 4 HB1 LYS 4 26.064 2.841 -6.788
34 1HG LYS 4 HG2 LYS 4 25.861 5.070 -4.770
35 2HG LYS 4 HG1 LYS 4 24.654 4.692 -6.000
36 1HD LYS 4 HD2 LYS 4 25.562 2.810 -3.821
37 2HD LYS 4 HD1 LYS 4 24.082 3.768 -3.780
38 1HE LYS 4 HE2 LYS 4 24.554 2.014 -6.135
39 2HE LYS 4 HE1 LYS 4 24.105 1.248 -4.613
40 1HZ LYS 4 HZ1 LYS 4 22.131 1.668 -5.824
41 2HZ LYS 4 HZ2 LYS 4 22.565 3.279 -6.131
42 3HZ LYS 4 HZ3 LYS 4 22.168 2.796 -4.553
43 HA PRO 5 HA PRO 5 28.280 -0.979 -4.906
44 1HB PRO 5 HB2 PRO 5 27.484 -1.175 -2.135
45 2HB PRO 5 HB1 PRO 5 29.073 -1.474 -2.845
46 1HG PRO 5 HG2 PRO 5 28.498 0.616 -1.167
47 2HG PRO 5 HG1 PRO 5 29.823 0.614 -2.345
48 1HD PRO 5 HD2 PRO 5 27.131 1.901 -2.514
49 2HD PRO 5 HD1 PRO 5 28.701 2.484 -3.105
50 H GLU 6 HN GLU 6 26.623 -1.999 -5.866
51 HA GLU 6 HA GLU 6 23.895 -1.420 -5.349
52 1HB GLU 6 HB2 GLU 6 25.342 -3.544 -6.890
53 2HB GLU 6 HB1 GLU 6 23.611 -3.687 -6.626
54 1HG GLU 6 HG2 GLU 6 23.624 -1.210 -7.537
55 2HG GLU 6 HG1 GLU 6 25.131 -1.746 -8.276
56 H ALA 7 HN ALA 7 23.286 -1.708 -3.281
57 HA ALA 7 HA ALA 7 24.245 -3.698 -1.557
58 1HB ALA 7 HB1 ALA 7 22.761 -1.412 -1.272
59 2HB ALA 7 HB2 ALA 7 23.110 -2.570 0.011
60 3HB ALA 7 HB3 ALA 7 21.594 -2.676 -0.882
61 HA PRO 8 HA PRO 8 21.881 -7.208 -3.064
62 1HB PRO 8 HB2 PRO 8 23.010 -8.369 -0.572
63 2HB PRO 8 HB1 PRO 8 23.102 -8.973 -2.230
64 1HG PRO 8 HG2 PRO 8 25.232 -7.893 -1.058
65 2HG PRO 8 HG1 PRO 8 24.886 -7.578 -2.770
66 1HD PRO 8 HD2 PRO 8 24.392 -5.834 -0.381
67 2HD PRO 8 HD1 PRO 8 25.022 -5.396 -1.986
68 H GLY 9 HN GLY 9 21.990 -6.060 0.281
69 1HA GLY 9 HA2 GLY 9 19.611 -5.313 0.904
70 2HA GLY 9 HA1 GLY 9 19.263 -7.029 0.696
71 H GLU 10 HN GLU 10 18.699 -6.182 3.104
72 HA GLU 10 HA GLU 10 20.951 -6.351 4.859
73 1HB GLU 10 HB2 GLU 10 17.988 -6.154 5.202
74 2HB GLU 10 HB1 GLU 10 18.924 -6.786 6.550
75 1HG GLU 10 HG2 GLU 10 18.566 -4.406 6.797
76 2HG GLU 10 HG1 GLU 10 20.278 -4.757 6.565
77 H ASP 11 HN ASP 11 18.516 -8.484 3.576
78 HA ASP 11 HA ASP 11 19.561 -10.768 5.028
79 1HB ASP 11 HB2 ASP 11 17.122 -10.552 4.452
80 2HB ASP 11 HB1 ASP 11 17.565 -10.758 2.759
81 H ALA 12 HN ALA 12 21.731 -10.275 4.133
82 HA ALA 12 HA ALA 12 22.077 -11.686 1.565
83 1HB ALA 12 HB1 ALA 12 22.700 -9.206 1.648
84 2HB ALA 12 HB2 ALA 12 23.909 -10.325 1.020
85 3HB ALA 12 HB3 ALA 12 24.052 -9.708 2.664
86 H SER 13 HN SER 13 22.072 -12.320 4.607
87 HA SER 13 HA SER 13 23.079 -13.757 6.031
88 1HB SER 13 HB2 SER 13 24.923 -14.546 3.767
89 2HB SER 13 HB1 SER 13 24.487 -15.498 5.189
90 HG SER 13 HG SER 13 22.281 -14.722 3.821
91 HA PRO 14 HA PRO 14 26.160 -11.417 8.029
92 1HB PRO 14 HB2 PRO 14 27.725 -13.494 9.080
93 2HB PRO 14 HB1 PRO 14 26.324 -12.743 9.844
94 1HG PRO 14 HG2 PRO 14 26.501 -15.266 8.269
95 2HG PRO 14 HG1 PRO 14 25.508 -14.893 9.691
96 1HD PRO 14 HD2 PRO 14 24.429 -14.974 7.253
97 2HD PRO 14 HD1 PRO 14 23.924 -13.740 8.429
98 H GLU 15 HN GLU 15 27.361 -14.059 5.996
99 HA GLU 15 HA GLU 15 30.047 -13.195 5.873
100 1HB GLU 15 HB2 GLU 15 28.383 -15.197 4.624
101 2HB GLU 15 HB1 GLU 15 29.470 -14.469 3.448
102 1HG GLU 15 HG2 GLU 15 30.612 -15.298 6.054
103 2HG GLU 15 HG1 GLU 15 30.157 -16.560 4.908
104 H GLU 16 HN GLU 16 27.351 -12.679 3.609
105 HA GLU 16 HA GLU 16 28.999 -11.050 1.896
106 1HB GLU 16 HB2 GLU 16 26.863 -12.703 1.435
107 2HB GLU 16 HB1 GLU 16 26.118 -11.114 1.352
108 1HG GLU 16 HG2 GLU 16 26.944 -12.087 -0.816
109 2HG GLU 16 HG1 GLU 16 27.477 -10.451 -0.439
110 H LEU 17 HN LEU 17 26.470 -10.646 4.279
111 HA LEU 17 HA LEU 17 25.949 -7.916 3.874
112 1HB LEU 17 HB2 LEU 17 24.581 -9.238 5.394
113 2HB LEU 17 HB1 LEU 17 25.962 -9.528 6.434
114 HG LEU 17 HG LEU 17 25.801 -6.764 6.321
115 1HD1 LEU 17 HD11 LEU 17 23.160 -7.097 7.240
116 2HD1 LEU 17 HD12 LEU 17 23.249 -7.840 5.644
117 3HD1 LEU 17 HD13 LEU 17 23.725 -6.157 5.857
118 1HD2 LEU 17 HD21 LEU 17 24.487 -7.453 8.628
119 2HD2 LEU 17 HD22 LEU 17 26.237 -7.379 8.420
120 3HD2 LEU 17 HD23 LEU 17 25.390 -8.914 8.241
121 H ASN 18 HN ASN 18 28.335 -9.574 5.929
122 HA ASN 18 HA ASN 18 29.655 -7.279 6.865
123 1HB ASN 18 HB2 ASN 18 30.022 -9.430 7.914
124 2HB ASN 18 HB1 ASN 18 30.681 -10.091 6.422
125 1HD2 ASN 18 HD21 ASN 18 32.758 -10.453 6.718
126 2HD2 ASN 18 HD22 ASN 18 33.882 -9.356 7.448
127 H ARG 19 HN ARG 19 30.105 -9.247 3.955
128 HA ARG 19 HA ARG 19 32.479 -8.059 3.044
129 1HB ARG 19 HB2 ARG 19 30.253 -9.566 1.765
130 2HB ARG 19 HB1 ARG 19 31.358 -8.690 0.708
131 1HG ARG 19 HG2 ARG 19 33.219 -9.878 2.016
132 2HG ARG 19 HG1 ARG 19 31.936 -10.957 2.571
133 1HD ARG 19 HD2 ARG 19 31.394 -11.536 0.279
134 2HD ARG 19 HD1 ARG 19 32.604 -10.394 -0.316
135 HE ARG 19 HE ARG 19 34.281 -11.875 0.256
136 1HH1 ARG 19 HH11 ARG 19 31.148 -13.115 1.210
137 2HH1 ARG 19 HH12 ARG 19 31.785 -14.618 1.819
138 1HH2 ARG 19 HH21 ARG 19 35.118 -13.863 0.969
139 2HH2 ARG 19 HH22 ARG 19 34.059 -15.053 1.658
140 H TYR 20 HN TYR 20 29.165 -7.344 1.912
141 HA TYR 20 HA TYR 20 29.914 -5.060 0.445
142 1HB TYR 20 HB2 TYR 20 27.796 -5.226 -0.281
143 2HB TYR 20 HB1 TYR 20 27.571 -6.562 0.838
144 HD1 TYR 20 HD1 TYR 20 26.915 -3.006 0.220
145 HD2 TYR 20 HD2 TYR 20 26.370 -6.235 2.934
146 HE1 TYR 20 HE1 TYR 20 25.187 -1.715 1.396
147 HE2 TYR 20 HE2 TYR 20 24.645 -4.953 4.127
148 HH TYR 20 HH TYR 20 22.998 -2.624 3.030
149 H TYR 21 HN TYR 21 29.041 -5.543 3.775
150 HA TYR 21 HA TYR 21 28.420 -2.960 4.585
151 1HB TYR 21 HB2 TYR 21 28.612 -5.377 5.811
152 2HB TYR 21 HB1 TYR 21 30.022 -4.555 6.476
153 HD1 TYR 21 HD1 TYR 21 26.408 -4.760 6.449
154 HD2 TYR 21 HD2 TYR 21 29.742 -2.486 7.777
155 HE1 TYR 21 HE1 TYR 21 24.965 -3.608 8.059
156 HE2 TYR 21 HE2 TYR 21 28.326 -1.323 9.391
157 HH TYR 21 HH TYR 21 24.822 -2.000 9.563
158 H ALA 22 HN ALA 22 31.560 -4.606 4.921
159 HA ALA 22 HA ALA 22 32.788 -2.206 5.864
160 1HB ALA 22 HB1 ALA 22 33.534 -4.241 6.781
161 2HB ALA 22 HB2 ALA 22 34.866 -3.600 5.815
162 3HB ALA 22 HB3 ALA 22 33.877 -4.920 5.189
163 H SER 23 HN SER 23 32.482 -3.742 2.734
164 HA SER 23 HA SER 23 34.471 -2.206 1.413
165 1HB SER 23 HB2 SER 23 31.886 -3.202 0.190
166 2HB SER 23 HB1 SER 23 33.404 -2.855 -0.641
167 HG SER 23 HG SER 23 32.776 -4.996 1.098
168 H LEU 24 HN LEU 24 31.122 -1.623 2.252
169 HA LEU 24 HA LEU 24 30.915 0.910 0.952
170 1HB LEU 24 HB2 LEU 24 28.955 -0.525 1.375
171 2HB LEU 24 HB1 LEU 24 29.229 -0.379 3.100
172 HG LEU 24 HG LEU 24 28.994 2.249 2.003
173 1HD1 LEU 24 HD11 LEU 24 27.758 1.482 0.167
174 2HD1 LEU 24 HD12 LEU 24 26.551 1.994 1.346
175 3HD1 LEU 24 HD13 LEU 24 26.902 0.280 1.135
176 1HD2 LEU 24 HD21 LEU 24 27.626 2.562 3.794
177 2HD2 LEU 24 HD22 LEU 24 28.437 1.084 4.322
178 3HD2 LEU 24 HD23 LEU 24 26.828 0.999 3.603
179 H ARG 25 HN ARG 25 31.978 -0.318 4.006
180 HA ARG 25 HA ARG 25 31.843 2.072 5.501
181 1HB ARG 25 HB2 ARG 25 32.497 -0.522 6.064
182 2HB ARG 25 HB1 ARG 25 34.071 0.257 6.135
183 1HG ARG 25 HG2 ARG 25 33.166 0.260 8.322
184 2HG ARG 25 HG1 ARG 25 33.086 1.917 7.718
185 1HD ARG 25 HD2 ARG 25 30.699 1.367 7.010
186 2HD ARG 25 HD1 ARG 25 30.858 -0.079 8.009
187 HE ARG 25 HE ARG 25 31.243 1.415 9.918
188 1HH1 ARG 25 HH11 ARG 25 29.711 2.762 7.063
189 2HH1 ARG 25 HH12 ARG 25 28.989 4.081 7.922
190 1HH2 ARG 25 HH21 ARG 25 30.323 3.158 11.036
191 2HH2 ARG 25 HH22 ARG 25 29.329 4.311 10.187
192 H HIS 26 HN HIS 26 34.497 0.569 3.652
193 HA HIS 26 HA HIS 26 36.306 2.722 4.075
194 1HB HIS 26 HB2 HIS 26 36.687 0.241 3.215
195 2HB HIS 26 HB1 HIS 26 36.522 1.009 1.639
196 HD1 HIS 26 HD1 HIS 26 38.507 2.335 0.773
197 HD2 HIS 26 HD2 HIS 26 38.921 1.182 4.751
198 HE1 HIS 26 HE1 HIS 26 40.870 2.917 1.414
199 HE2 HIS 26 HE2 HIS 26 41.043 2.362 3.866
200 H TYR 27 HN TYR 27 34.088 1.870 1.449
201 HA TYR 27 HA TYR 27 34.738 3.972 -0.284
202 1HB TYR 27 HB2 TYR 27 33.429 2.445 -1.372
203 2HB TYR 27 HB1 TYR 27 32.460 2.100 0.053
204 HD1 TYR 27 HD1 TYR 27 30.321 3.012 0.279
205 HD2 TYR 27 HD2 TYR 27 32.966 4.642 -2.632
206 HE1 TYR 27 HE1 TYR 27 28.478 4.359 -0.634
207 HE2 TYR 27 HE2 TYR 27 31.130 5.993 -3.548
208 HH TYR 27 HH TYR 27 28.691 5.961 -3.637
209 H LEU 28 HN LEU 28 32.266 3.753 2.282
210 HA LEU 28 HA LEU 28 31.248 6.369 1.993
211 1HB LEU 28 HB2 LEU 28 30.940 4.194 3.815
212 2HB LEU 28 HB1 LEU 28 31.195 5.655 4.746
213 HG LEU 28 HG LEU 28 28.824 5.234 4.439
214 1HD1 LEU 28 HD11 LEU 28 29.509 7.538 4.596
215 2HD1 LEU 28 HD12 LEU 28 28.179 7.399 3.448
216 3HD1 LEU 28 HD13 LEU 28 29.832 7.594 2.865
217 1HD2 LEU 28 HD21 LEU 28 29.110 4.020 2.259
218 2HD2 LEU 28 HD22 LEU 28 29.258 5.599 1.484
219 3HD2 LEU 28 HD23 LEU 28 27.764 5.158 2.313
220 H ASN 29 HN ASN 29 33.867 5.120 4.026
221 HA ASN 29 HA ASN 29 34.424 7.490 5.419
222 1HB ASN 29 HB2 ASN 29 35.259 5.129 5.909
223 2HB ASN 29 HB1 ASN 29 36.490 5.416 4.681
224 1HD2 ASN 29 HD21 ASN 29 35.404 6.152 7.881
225 2HD2 ASN 29 HD22 ASN 29 36.816 7.015 8.382
226 H LEU 30 HN LEU 30 35.377 6.392 2.240
227 HA LEU 30 HA LEU 30 37.409 8.368 1.879
228 1HB LEU 30 HB2 LEU 30 36.205 6.219 0.284
229 2HB LEU 30 HB1 LEU 30 36.734 7.603 -0.651
230 HG LEU 30 HG LEU 30 38.342 5.604 0.851
231 1HD1 LEU 30 HD11 LEU 30 38.765 7.146 -1.701
232 2HD1 LEU 30 HD12 LEU 30 38.140 5.502 -1.574
233 3HD1 LEU 30 HD13 LEU 30 39.800 5.855 -1.091
234 1HD2 LEU 30 HD21 LEU 30 39.623 7.093 1.892
235 2HD2 LEU 30 HD22 LEU 30 38.725 8.432 1.178
236 3HD2 LEU 30 HD23 LEU 30 40.089 7.725 0.315
237 H VAL 31 HN VAL 31 34.013 8.079 0.841
238 HA VAL 31 HA VAL 31 34.136 10.513 -0.676
239 HB VAL 31 HB VAL 31 31.678 10.294 -0.909
240 1HG1 VAL 31 HG11 VAL 31 32.924 7.630 -1.478
241 2HG1 VAL 31 HG12 VAL 31 33.455 9.088 -2.318
242 3HG1 VAL 31 HG13 VAL 31 31.777 8.555 -2.451
243 1HG2 VAL 31 HG21 VAL 31 30.521 8.345 -0.058
244 2HG2 VAL 31 HG22 VAL 31 31.230 9.249 1.279
245 3HG2 VAL 31 HG23 VAL 31 32.000 7.769 0.710
246 H THR 32 HN THR 32 33.225 9.685 2.600
247 HA THR 32 HA THR 32 32.106 12.310 3.087
248 HB THR 32 HB THR 32 32.827 10.419 5.300
249 HG1 THR 32 HG1 THR 32 31.756 9.091 3.815
250 1HG2 THR 32 HG21 THR 32 30.316 12.032 4.966
251 2HG2 THR 32 HG22 THR 32 31.793 12.756 5.597
252 3HG2 THR 32 HG23 THR 32 31.039 11.410 6.448
253 H ARG 33 HN ARG 33 34.789 12.217 2.111
254 HA ARG 33 HA ARG 33 36.494 13.003 4.315
255 1HB ARG 33 HB2 ARG 33 36.860 12.180 1.612
256 2HB ARG 33 HB1 ARG 33 37.563 13.783 1.779
257 1HG ARG 33 HG2 ARG 33 38.198 11.414 3.529
258 2HG ARG 33 HG1 ARG 33 39.185 11.990 2.186
259 1HD ARG 33 HD2 ARG 33 39.563 14.090 3.301
260 2HD ARG 33 HD1 ARG 33 38.453 13.640 4.595
261 HE ARG 33 HE ARG 33 40.244 11.679 4.756
262 1HH1 ARG 33 HH11 ARG 33 40.674 15.135 4.444
263 2HH1 ARG 33 HH12 ARG 33 42.176 15.155 5.313
264 1HH2 ARG 33 HH21 ARG 33 42.227 11.687 5.907
265 2HH2 ARG 33 HH22 ARG 33 43.070 13.195 6.152
266 H GLN 34 HN GLN 34 34.056 14.401 2.578
267 HA GLN 34 HA GLN 34 33.251 16.505 2.312
268 1HB GLN 34 HB2 GLN 34 34.792 16.562 4.823
269 2HB GLN 34 HB1 GLN 34 34.502 18.140 4.106
270 1HG GLN 34 HG2 GLN 34 32.600 16.208 5.292
271 2HG GLN 34 HG1 GLN 34 32.657 17.967 5.417
272 1HE2 GLN 34 HE21 GLN 34 31.746 19.220 3.750
273 2HE2 GLN 34 HE22 GLN 34 30.589 18.547 2.649
274 H ARG 35 HN ARG 35 34.774 16.109 0.335
275 HA ARG 35 HA ARG 35 36.694 18.324 0.195
276 1HB ARG 35 HB2 ARG 35 37.726 17.153 -1.688
277 2HB ARG 35 HB1 ARG 35 37.691 16.134 -0.257
278 1HG ARG 35 HG2 ARG 35 36.554 14.562 -1.320
279 2HG ARG 35 HG1 ARG 35 35.341 15.724 -1.864
280 1HD ARG 35 HD2 ARG 35 37.912 15.926 -3.247
281 2HD ARG 35 HD1 ARG 35 37.080 14.390 -3.488
282 HE ARG 35 HE ARG 35 35.153 15.700 -4.277
283 1HH1 ARG 35 HH11 ARG 35 38.272 17.309 -4.148
284 2HH1 ARG 35 HH12 ARG 35 37.896 18.403 -5.452
285 1HH2 ARG 35 HH21 ARG 35 34.655 17.156 -5.976
286 2HH2 ARG 35 HH22 ARG 35 35.843 18.327 -6.467
287 H TYR 36 HN TYR 36 36.576 19.792 -1.469
288 HA TYR 36 HA TYR 36 34.047 19.750 -2.987
289 1HB TYR 36 HB2 TYR 36 35.345 22.310 -2.104
290 2HB TYR 36 HB1 TYR 36 33.673 22.024 -2.576
291 HD1 TYR 36 HD1 TYR 36 35.929 22.362 0.149
292 HD2 TYR 36 HD2 TYR 36 32.254 20.542 -0.988
293 HE1 TYR 36 HE1 TYR 36 35.313 22.141 2.518
294 HE2 TYR 36 HE2 TYR 36 31.626 20.318 1.380
295 HH TYR 36 HH TYR 36 32.221 21.503 3.578
296 1HN NH2 37 H1 NH2 37 37.532 21.123 -4.647
297 2HN NH2 37 H2 NH2 37 37.371 21.017 -2.932
Start of MODEL 4
1 1H TYR 1 HT1 TYR 1 38.559 1.954 -5.970
2 2H TYR 1 HT2 TYR 1 39.001 0.334 -5.757
3 3H TYR 1 HT3 TYR 1 37.903 1.057 -4.692
4 HA TYR 1 HA TYR 1 37.293 0.969 -7.551
5 1HB TYR 1 HB2 TYR 1 35.961 -1.218 -6.753
6 2HB TYR 1 HB1 TYR 1 37.565 -1.294 -7.470
7 HD1 TYR 1 HD1 TYR 1 35.971 -0.926 -4.100
8 HD2 TYR 1 HD2 TYR 1 39.166 -2.568 -6.387
9 HE1 TYR 1 HE1 TYR 1 36.789 -2.100 -2.101
10 HE2 TYR 1 HE2 TYR 1 39.992 -3.744 -4.393
11 HH TYR 1 HH TYR 1 38.223 -4.219 -1.656
12 HA PRO 2 HA PRO 2 33.814 2.937 -5.411
13 1HB PRO 2 HB2 PRO 2 33.303 4.181 -7.984
14 2HB PRO 2 HB1 PRO 2 33.745 4.945 -6.458
15 1HG PRO 2 HG2 PRO 2 35.407 4.858 -8.611
16 2HG PRO 2 HG1 PRO 2 35.984 4.905 -6.935
17 1HD PRO 2 HD2 PRO 2 35.725 2.562 -8.784
18 2HD PRO 2 HD1 PRO 2 37.039 2.963 -7.657
19 H ILE 3 HN ILE 3 33.196 0.574 -5.624
20 HA ILE 3 HA ILE 3 31.998 -0.458 -7.935
21 HB ILE 3 HB ILE 3 32.730 -2.045 -6.384
22 1HG1 ILE 3 HG12 ILE 3 29.941 -2.406 -5.548
23 2HG1 ILE 3 HG11 ILE 3 30.130 -2.112 -7.273
24 1HG2 ILE 3 HG21 ILE 3 30.959 -0.923 -4.232
25 2HG2 ILE 3 HG22 ILE 3 32.648 -0.458 -4.435
26 3HG2 ILE 3 HG23 ILE 3 32.233 -2.134 -4.076
27 1HD1 ILE 3 HD11 ILE 3 30.547 -4.277 -7.483
28 2HD1 ILE 3 HD12 ILE 3 30.677 -4.487 -5.736
29 3HD1 ILE 3 HD13 ILE 3 32.086 -3.987 -6.672
30 H LYS 4 HN LYS 4 30.582 1.151 -5.131
31 HA LYS 4 HA LYS 4 28.520 2.007 -4.695
32 1HB LYS 4 HB2 LYS 4 28.838 2.293 -7.607
33 2HB LYS 4 HB1 LYS 4 27.170 2.306 -7.053
34 1HG LYS 4 HG2 LYS 4 27.717 4.128 -5.498
35 2HG LYS 4 HG1 LYS 4 29.372 4.129 -6.112
36 1HD LYS 4 HD2 LYS 4 28.542 5.744 -7.471
37 2HD LYS 4 HD1 LYS 4 28.044 4.350 -8.433
38 1HE LYS 4 HE2 LYS 4 25.985 5.221 -8.308
39 2HE LYS 4 HE1 LYS 4 25.979 4.614 -6.651
40 1HZ LYS 4 HZ1 LYS 4 26.585 7.356 -7.588
41 2HZ LYS 4 HZ2 LYS 4 26.991 6.822 -6.032
42 3HZ LYS 4 HZ3 LYS 4 25.367 6.857 -6.516
43 HA PRO 5 HA PRO 5 26.650 -2.219 -5.192
44 1HB PRO 5 HB2 PRO 5 26.375 -2.129 -2.284
45 2HB PRO 5 HB1 PRO 5 27.221 -3.315 -3.283
46 1HG PRO 5 HG2 PRO 5 28.523 -1.576 -1.672
47 2HG PRO 5 HG1 PRO 5 29.209 -2.164 -3.197
48 1HD PRO 5 HD2 PRO 5 27.861 0.450 -2.610
49 2HD PRO 5 HD1 PRO 5 29.317 0.125 -3.578
50 H GLU 6 HN GLU 6 24.538 -2.330 -5.616
51 HA GLU 6 HA GLU 6 22.771 -0.237 -4.741
52 1HB GLU 6 HB2 GLU 6 21.781 -2.638 -6.204
53 2HB GLU 6 HB1 GLU 6 21.327 -0.951 -6.394
54 1HG GLU 6 HG2 GLU 6 23.797 -0.723 -7.254
55 2HG GLU 6 HG1 GLU 6 23.614 -2.449 -7.559
56 H ALA 7 HN ALA 7 23.507 -1.375 -2.499
57 HA ALA 7 HA ALA 7 22.894 -2.420 -0.586
58 1HB ALA 7 HB1 ALA 7 20.088 -1.927 -1.545
59 2HB ALA 7 HB2 ALA 7 21.137 -0.675 -0.880
60 3HB ALA 7 HB3 ALA 7 20.657 -2.045 0.119
61 HA PRO 8 HA PRO 8 21.724 -6.519 -2.429
62 1HB PRO 8 HB2 PRO 8 24.399 -7.485 -2.119
63 2HB PRO 8 HB1 PRO 8 23.528 -7.188 -3.622
64 1HG PRO 8 HG2 PRO 8 25.732 -5.757 -2.758
65 2HG PRO 8 HG1 PRO 8 24.550 -5.186 -3.950
66 1HD PRO 8 HD2 PRO 8 24.766 -4.553 -1.036
67 2HD PRO 8 HD1 PRO 8 24.316 -3.494 -2.391
68 H GLY 9 HN GLY 9 20.712 -6.344 -0.247
69 1HA GLY 9 HA2 GLY 9 22.169 -8.051 1.668
70 2HA GLY 9 HA1 GLY 9 21.354 -6.590 2.210
71 H GLU 10 HN GLU 10 20.041 -8.636 -0.295
72 HA GLU 10 HA GLU 10 17.839 -9.340 1.512
73 1HB GLU 10 HB2 GLU 10 18.092 -8.877 -1.391
74 2HB GLU 10 HB1 GLU 10 17.026 -10.201 -0.935
75 1HG GLU 10 HG2 GLU 10 16.093 -8.384 0.748
76 2HG GLU 10 HG1 GLU 10 16.739 -7.287 -0.471
77 H ASP 11 HN ASP 11 20.332 -10.703 -0.519
78 HA ASP 11 HA ASP 11 19.579 -13.407 0.344
79 1HB ASP 11 HB2 ASP 11 21.435 -14.026 -1.388
80 2HB ASP 11 HB1 ASP 11 19.845 -13.545 -1.958
81 H ALA 12 HN ALA 12 22.418 -11.325 -0.035
82 HA ALA 12 HA ALA 12 24.183 -12.810 1.565
83 1HB ALA 12 HB1 ALA 12 25.154 -11.152 0.224
84 2HB ALA 12 HB2 ALA 12 25.310 -10.524 1.865
85 3HB ALA 12 HB3 ALA 12 24.041 -9.910 0.801
86 H SER 13 HN SER 13 24.150 -13.197 3.689
87 HA SER 13 HA SER 13 22.687 -11.294 5.386
88 1HB SER 13 HB2 SER 13 22.650 -14.046 6.384
89 2HB SER 13 HB1 SER 13 21.331 -12.885 6.215
90 HG SER 13 HG SER 13 21.851 -13.494 3.786
91 HA PRO 14 HA PRO 14 26.159 -12.871 8.143
92 1HB PRO 14 HB2 PRO 14 27.638 -15.082 7.148
93 2HB PRO 14 HB1 PRO 14 26.432 -15.093 8.433
94 1HG PRO 14 HG2 PRO 14 26.163 -16.324 5.953
95 2HG PRO 14 HG1 PRO 14 24.836 -15.948 7.064
96 1HD PRO 14 HD2 PRO 14 25.768 -14.464 4.645
97 2HD PRO 14 HD1 PRO 14 24.115 -14.716 5.253
98 H GLU 15 HN GLU 15 28.434 -14.428 6.134
99 HA GLU 15 HA GLU 15 30.283 -12.310 6.584
100 1HB GLU 15 HB2 GLU 15 30.407 -14.923 5.111
101 2HB GLU 15 HB1 GLU 15 31.731 -13.770 5.008
102 1HG GLU 15 HG2 GLU 15 32.366 -14.087 7.171
103 2HG GLU 15 HG1 GLU 15 30.738 -14.505 7.705
104 H GLU 16 HN GLU 16 28.344 -13.326 3.909
105 HA GLU 16 HA GLU 16 29.572 -11.803 1.883
106 1HB GLU 16 HB2 GLU 16 26.632 -12.435 1.967
107 2HB GLU 16 HB1 GLU 16 27.680 -12.303 0.564
108 1HG GLU 16 HG2 GLU 16 27.450 -14.559 0.672
109 2HG GLU 16 HG1 GLU 16 28.879 -14.357 1.689
110 H LEU 17 HN LEU 17 26.958 -11.155 4.198
111 HA LEU 17 HA LEU 17 26.400 -8.558 3.174
112 1HB LEU 17 HB2 LEU 17 24.837 -9.851 4.631
113 2HB LEU 17 HB1 LEU 17 25.924 -9.560 5.977
114 HG LEU 17 HG LEU 17 25.493 -7.016 5.076
115 1HD1 LEU 17 HD11 LEU 17 23.162 -6.724 4.633
116 2HD1 LEU 17 HD12 LEU 17 22.852 -8.445 4.861
117 3HD1 LEU 17 HD13 LEU 17 23.799 -7.896 3.479
118 1HD2 LEU 17 HD21 LEU 17 24.551 -8.713 7.271
119 2HD2 LEU 17 HD22 LEU 17 23.545 -7.297 6.955
120 3HD2 LEU 17 HD23 LEU 17 25.264 -7.100 7.306
121 H ASN 18 HN ASN 18 28.390 -9.794 5.834
122 HA ASN 18 HA ASN 18 29.317 -7.305 6.749
123 1HB ASN 18 HB2 ASN 18 29.569 -9.525 7.936
124 2HB ASN 18 HB1 ASN 18 30.902 -9.880 6.837
125 1HD2 ASN 18 HD21 ASN 18 32.883 -9.083 7.305
126 2HD2 ASN 18 HD22 ASN 18 33.224 -7.978 8.594
127 H ARG 19 HN ARG 19 30.489 -9.445 4.187
128 HA ARG 19 HA ARG 19 32.917 -8.122 3.661
129 1HB ARG 19 HB2 ARG 19 31.125 -9.955 2.179
130 2HB ARG 19 HB1 ARG 19 32.218 -8.990 1.196
131 1HG ARG 19 HG2 ARG 19 34.060 -9.819 2.762
132 2HG ARG 19 HG1 ARG 19 32.881 -11.017 3.295
133 1HD ARG 19 HD2 ARG 19 33.424 -10.637 0.382
134 2HD ARG 19 HD1 ARG 19 34.530 -11.593 1.366
135 HE ARG 19 HE ARG 19 31.900 -12.340 0.482
136 1HH1 ARG 19 HH11 ARG 19 34.321 -12.864 2.967
137 2HH1 ARG 19 HH12 ARG 19 33.748 -14.460 3.364
138 1HH2 ARG 19 HH21 ARG 19 31.162 -14.418 0.983
139 2HH2 ARG 19 HH22 ARG 19 31.944 -15.348 2.236
140 H TYR 20 HN TYR 20 29.783 -7.752 1.991
141 HA TYR 20 HA TYR 20 30.593 -5.478 0.515
142 1HB TYR 20 HB2 TYR 20 28.678 -5.918 -0.546
143 2HB TYR 20 HB1 TYR 20 28.319 -7.152 0.651
144 HD1 TYR 20 HD1 TYR 20 26.707 -6.740 2.414
145 HD2 TYR 20 HD2 TYR 20 27.657 -3.698 -0.408
146 HE1 TYR 20 HE1 TYR 20 24.730 -5.465 3.127
147 HE2 TYR 20 HE2 TYR 20 25.684 -2.413 0.303
148 HH TYR 20 HH TYR 20 23.550 -3.613 2.877
149 H TYR 21 HN TYR 21 29.266 -5.940 3.669
150 HA TYR 21 HA TYR 21 28.292 -3.416 4.311
151 1HB TYR 21 HB2 TYR 21 28.502 -5.797 5.564
152 2HB TYR 21 HB1 TYR 21 29.758 -4.901 6.405
153 HD1 TYR 21 HD1 TYR 21 29.204 -3.642 8.221
154 HD2 TYR 21 HD2 TYR 21 26.181 -4.617 5.401
155 HE1 TYR 21 HE1 TYR 21 27.531 -2.654 9.700
156 HE2 TYR 21 HE2 TYR 21 24.480 -3.635 6.866
157 HH TYR 21 HH TYR 21 24.360 -3.223 9.544
158 H ALA 22 HN ALA 22 31.466 -4.790 5.111
159 HA ALA 22 HA ALA 22 32.384 -2.302 6.167
160 1HB ALA 22 HB1 ALA 22 34.533 -3.509 6.445
161 2HB ALA 22 HB2 ALA 22 33.815 -4.892 5.619
162 3HB ALA 22 HB3 ALA 22 33.143 -4.333 7.155
163 H SER 23 HN SER 23 32.658 -3.938 3.071
164 HA SER 23 HA SER 23 34.608 -2.167 1.997
165 1HB SER 23 HB2 SER 23 32.457 -3.727 0.545
166 2HB SER 23 HB1 SER 23 33.905 -3.026 -0.180
167 HG SER 23 HG SER 23 33.621 -5.286 1.436
168 H LEU 24 HN LEU 24 31.146 -2.038 2.379
169 HA LEU 24 HA LEU 24 30.665 0.281 0.832
170 1HB LEU 24 HB2 LEU 24 29.148 -1.576 2.336
171 2HB LEU 24 HB1 LEU 24 28.837 -0.002 3.035
172 HG LEU 24 HG LEU 24 28.064 -1.083 0.391
173 1HD1 LEU 24 HD11 LEU 24 25.995 -0.094 0.878
174 2HD1 LEU 24 HD12 LEU 24 26.701 0.968 2.096
175 3HD1 LEU 24 HD13 LEU 24 26.570 -0.764 2.409
176 1HD2 LEU 24 HD21 LEU 24 29.068 1.678 0.815
177 2HD2 LEU 24 HD22 LEU 24 27.649 1.445 -0.206
178 3HD2 LEU 24 HD23 LEU 24 29.168 0.644 -0.612
179 H ARG 25 HN ARG 25 31.081 -0.358 4.306
180 HA ARG 25 HA ARG 25 30.947 2.298 5.169
181 1HB ARG 25 HB2 ARG 25 31.840 -0.256 6.277
182 2HB ARG 25 HB1 ARG 25 32.721 1.124 6.918
183 1HG ARG 25 HG2 ARG 25 30.978 1.829 8.120
184 2HG ARG 25 HG1 ARG 25 29.834 1.532 6.809
185 1HD ARG 25 HD2 ARG 25 29.947 -0.890 7.346
186 2HD ARG 25 HD1 ARG 25 30.952 -0.494 8.740
187 HE ARG 25 HE ARG 25 28.093 -0.112 8.468
188 1HH1 ARG 25 HH11 ARG 25 30.979 0.765 10.289
189 2HH1 ARG 25 HH12 ARG 25 30.074 1.293 11.682
190 1HH2 ARG 25 HH21 ARG 25 26.942 0.524 10.324
191 2HH2 ARG 25 HH22 ARG 25 27.798 1.114 11.717
192 H HIS 26 HN HIS 26 33.546 0.477 3.726
193 HA HIS 26 HA HIS 26 35.652 2.304 4.295
194 1HB HIS 26 HB2 HIS 26 35.353 -0.209 2.990
195 2HB HIS 26 HB1 HIS 26 36.109 0.891 1.844
196 HD1 HIS 26 HD1 HIS 26 37.574 -1.551 3.090
197 HD2 HIS 26 HD2 HIS 26 37.829 2.362 4.479
198 HE1 HIS 26 HE1 HIS 26 39.760 -1.410 4.329
199 HE2 HIS 26 HE2 HIS 26 39.981 1.017 4.982
200 H TYR 27 HN TYR 27 33.946 1.566 1.265
201 HA TYR 27 HA TYR 27 34.958 3.712 -0.200
202 1HB TYR 27 HB2 TYR 27 34.003 1.988 -1.470
203 2HB TYR 27 HB1 TYR 27 32.538 1.955 -0.498
204 HD1 TYR 27 HD1 TYR 27 30.615 2.917 -1.361
205 HD2 TYR 27 HD2 TYR 27 34.393 4.234 -2.816
206 HE1 TYR 27 HE1 TYR 27 29.479 4.339 -3.012
207 HE2 TYR 27 HE2 TYR 27 33.262 5.658 -4.469
208 HH TYR 27 HH TYR 27 31.321 6.392 -5.256
209 H LEU 28 HN LEU 28 31.939 3.380 1.629
210 HA LEU 28 HA LEU 28 30.874 5.899 0.964
211 1HB LEU 28 HB2 LEU 28 30.425 4.049 3.279
212 2HB LEU 28 HB1 LEU 28 29.645 5.620 3.222
213 HG LEU 28 HG LEU 28 29.372 3.633 0.979
214 1HD1 LEU 28 HD11 LEU 28 27.974 2.364 2.136
215 2HD1 LEU 28 HD12 LEU 28 27.042 3.777 2.641
216 3HD1 LEU 28 HD13 LEU 28 28.431 3.255 3.593
217 1HD2 LEU 28 HD21 LEU 28 28.593 5.611 0.155
218 2HD2 LEU 28 HD22 LEU 28 28.126 6.221 1.742
219 3HD2 LEU 28 HD23 LEU 28 27.124 5.018 0.930
220 H ASN 29 HN ASN 29 32.802 4.936 3.829
221 HA ASN 29 HA ASN 29 32.769 7.431 5.090
222 1HB ASN 29 HB2 ASN 29 33.739 5.077 5.837
223 2HB ASN 29 HB1 ASN 29 35.247 5.765 5.248
224 1HD2 ASN 29 HD21 ASN 29 34.721 5.026 7.912
225 2HD2 ASN 29 HD22 ASN 29 34.792 6.454 8.891
226 H LEU 30 HN LEU 30 34.747 6.229 2.465
227 HA LEU 30 HA LEU 30 36.631 8.347 2.485
228 1HB LEU 30 HB2 LEU 30 35.847 6.207 0.590
229 2HB LEU 30 HB1 LEU 30 36.734 7.572 -0.064
230 HG LEU 30 HG LEU 30 37.651 5.691 2.110
231 1HD1 LEU 30 HD11 LEU 30 38.531 6.187 -0.723
232 2HD1 LEU 30 HD12 LEU 30 37.915 4.691 -0.020
233 3HD1 LEU 30 HD13 LEU 30 39.501 5.301 0.451
234 1HD2 LEU 30 HD21 LEU 30 39.014 8.157 1.022
235 2HD2 LEU 30 HD22 LEU 30 39.738 6.985 2.124
236 3HD2 LEU 30 HD23 LEU 30 38.366 7.959 2.649
237 H VAL 31 HN VAL 31 33.506 7.952 0.842
238 HA VAL 31 HA VAL 31 33.968 10.497 -0.548
239 HB VAL 31 HB VAL 31 31.891 9.895 -1.849
240 1HG1 VAL 31 HG11 VAL 31 33.061 8.381 -3.322
241 2HG1 VAL 31 HG12 VAL 31 34.187 7.951 -2.032
242 3HG1 VAL 31 HG13 VAL 31 34.181 9.586 -2.691
243 1HG2 VAL 31 HG21 VAL 31 30.635 8.217 -1.108
244 2HG2 VAL 31 HG22 VAL 31 31.874 7.713 0.042
245 3HG2 VAL 31 HG23 VAL 31 31.915 7.119 -1.617
246 H THR 32 HN THR 32 31.511 8.964 1.547
247 HA THR 32 HA THR 32 29.949 11.415 1.497
248 HB THR 32 HB THR 32 28.466 10.100 3.151
249 HG1 THR 32 HG1 THR 32 30.469 8.396 2.998
250 1HG2 THR 32 HG21 THR 32 28.518 8.592 0.622
251 2HG2 THR 32 HG22 THR 32 28.448 10.347 0.462
252 3HG2 THR 32 HG23 THR 32 27.204 9.499 1.379
253 H ARG 33 HN ARG 33 32.666 11.234 2.820
254 HA ARG 33 HA ARG 33 32.121 11.652 5.599
255 1HB ARG 33 HB2 ARG 33 34.389 12.123 5.888
256 2HB ARG 33 HB1 ARG 33 34.354 10.921 4.604
257 1HG ARG 33 HG2 ARG 33 35.774 12.332 3.591
258 2HG ARG 33 HG1 ARG 33 34.301 13.199 3.150
259 1HD ARG 33 HD2 ARG 33 34.976 14.067 5.736
260 2HD ARG 33 HD1 ARG 33 36.485 14.049 4.818
261 HE ARG 33 HE ARG 33 34.717 15.284 3.155
262 1HH1 ARG 33 HH11 ARG 33 35.816 15.855 6.429
263 2HH1 ARG 33 HH12 ARG 33 35.446 17.555 6.394
264 1HH2 ARG 33 HH21 ARG 33 34.259 17.500 3.087
265 2HH2 ARG 33 HH22 ARG 33 34.592 18.502 4.469
266 H GLN 34 HN GLN 34 31.673 13.499 2.824
267 HA GLN 34 HA GLN 34 31.929 16.123 3.682
268 1HB GLN 34 HB2 GLN 34 29.754 14.845 2.011
269 2HB GLN 34 HB1 GLN 34 29.898 16.580 2.245
270 1HG GLN 34 HG2 GLN 34 31.805 14.741 0.838
271 2HG GLN 34 HG1 GLN 34 30.889 16.085 0.160
272 1HE2 GLN 34 HE21 GLN 34 31.544 18.213 0.640
273 2HE2 GLN 34 HE22 GLN 34 33.162 18.558 1.164
274 H ARG 35 HN ARG 35 29.477 13.718 4.365
275 HA ARG 35 HA ARG 35 28.243 13.347 6.202
276 1HB ARG 35 HB2 ARG 35 30.590 14.036 7.148
277 2HB ARG 35 HB1 ARG 35 29.727 15.475 7.690
278 1HG ARG 35 HG2 ARG 35 28.042 13.633 8.623
279 2HG ARG 35 HG1 ARG 35 29.525 12.676 8.629
280 1HD ARG 35 HD2 ARG 35 28.865 15.162 10.157
281 2HD ARG 35 HD1 ARG 35 29.536 13.639 10.739
282 HE ARG 35 HE ARG 35 30.982 15.854 9.526
283 1HH1 ARG 35 HH11 ARG 35 31.053 12.529 10.654
284 2HH1 ARG 35 HH12 ARG 35 32.787 12.463 10.731
285 1HH2 ARG 35 HH21 ARG 35 33.273 15.766 9.635
286 2HH2 ARG 35 HH22 ARG 35 34.046 14.291 10.162
287 H TYR 36 HN TYR 36 28.553 16.471 7.602
288 HA TYR 36 HA TYR 36 25.792 17.040 6.750
289 1HB TYR 36 HB2 TYR 36 27.138 17.267 9.412
290 2HB TYR 36 HB1 TYR 36 25.852 18.401 9.018
291 HD1 TYR 36 HD1 TYR 36 24.553 17.497 10.925
292 HD2 TYR 36 HD2 TYR 36 25.651 15.053 7.617
293 HE1 TYR 36 HE1 TYR 36 22.877 15.829 11.600
294 HE2 TYR 36 HE2 TYR 36 23.976 13.387 8.282
295 HH TYR 36 HH TYR 36 21.512 13.862 10.069
296 1HN NH2 37 H1 NH2 37 26.547 20.294 5.751
297 2HN NH2 37 H2 NH2 37 25.379 19.027 5.883
Start of MODEL 5
1 1H TYR 1 HT1 TYR 1 23.235 11.580 3.831
2 2H TYR 1 HT2 TYR 1 24.060 10.327 4.619
3 3H TYR 1 HT3 TYR 1 22.365 10.368 4.640
4 HA TYR 1 HA TYR 1 23.070 8.720 3.108
5 1HB TYR 1 HB2 TYR 1 21.827 9.407 1.192
6 2HB TYR 1 HB1 TYR 1 21.100 10.219 2.571
7 HD1 TYR 1 HD1 TYR 1 22.494 10.631 -0.675
8 HD2 TYR 1 HD2 TYR 1 21.816 12.666 2.998
9 HE1 TYR 1 HE1 TYR 1 22.753 12.786 -1.830
10 HE2 TYR 1 HE2 TYR 1 22.074 14.829 1.856
11 HH TYR 1 HH TYR 1 22.084 15.125 -1.543
12 HA PRO 2 HA PRO 2 26.888 9.578 0.957
13 1HB PRO 2 HB2 PRO 2 27.335 7.113 0.034
14 2HB PRO 2 HB1 PRO 2 27.459 7.472 1.758
15 1HG PRO 2 HG2 PRO 2 25.303 6.069 0.265
16 2HG PRO 2 HG1 PRO 2 25.898 5.792 1.910
17 1HD PRO 2 HD2 PRO 2 23.601 7.252 1.183
18 2HD PRO 2 HD1 PRO 2 24.365 7.216 2.781
19 H ILE 3 HN ILE 3 27.656 8.519 -1.398
20 HA ILE 3 HA ILE 3 25.742 9.587 -3.274
21 HB ILE 3 HB ILE 3 27.847 10.229 -3.925
22 1HG1 ILE 3 HG12 ILE 3 28.568 8.576 -5.843
23 2HG1 ILE 3 HG11 ILE 3 27.043 7.787 -5.455
24 1HG2 ILE 3 HG21 ILE 3 29.846 9.144 -3.605
25 2HG2 ILE 3 HG22 ILE 3 29.118 7.540 -3.688
26 3HG2 ILE 3 HG23 ILE 3 28.887 8.541 -2.256
27 1HD1 ILE 3 HD11 ILE 3 27.545 10.187 -6.970
28 2HD1 ILE 3 HD12 ILE 3 26.402 10.481 -5.658
29 3HD1 ILE 3 HD13 ILE 3 26.078 9.215 -6.843
30 H LYS 4 HN LYS 4 27.558 6.506 -3.366
31 HA LYS 4 HA LYS 4 25.254 4.895 -3.320
32 1HB LYS 4 HB2 LYS 4 24.857 5.804 -5.554
33 2HB LYS 4 HB1 LYS 4 26.471 5.320 -6.057
34 1HG LYS 4 HG2 LYS 4 25.036 3.060 -5.014
35 2HG LYS 4 HG1 LYS 4 24.105 3.855 -6.285
36 1HD LYS 4 HD2 LYS 4 26.140 3.778 -7.726
37 2HD LYS 4 HD1 LYS 4 26.936 2.826 -6.471
38 1HE LYS 4 HE2 LYS 4 24.399 2.058 -7.909
39 2HE LYS 4 HE1 LYS 4 26.006 1.431 -8.271
40 1HZ LYS 4 HZ1 LYS 4 24.208 0.781 -6.086
41 2HZ LYS 4 HZ2 LYS 4 25.849 0.909 -5.666
42 3HZ LYS 4 HZ3 LYS 4 25.365 -0.186 -6.869
43 HA PRO 5 HA PRO 5 28.798 2.229 -2.664
44 1HB PRO 5 HB2 PRO 5 27.508 0.932 -0.554
45 2HB PRO 5 HB1 PRO 5 28.622 2.292 -0.402
46 1HG PRO 5 HG2 PRO 5 25.845 2.276 0.179
47 2HG PRO 5 HG1 PRO 5 26.930 3.675 0.169
48 1HD PRO 5 HD2 PRO 5 25.023 2.743 -1.909
49 2HD PRO 5 HD1 PRO 5 25.597 4.387 -1.551
50 H GLU 6 HN GLU 6 27.876 -0.301 -1.472
51 HA GLU 6 HA GLU 6 26.769 -1.522 -3.890
52 1HB GLU 6 HB2 GLU 6 28.325 -2.649 -1.562
53 2HB GLU 6 HB1 GLU 6 27.542 -3.668 -2.763
54 1HG GLU 6 HG2 GLU 6 28.948 -2.920 -4.478
55 2HG GLU 6 HG1 GLU 6 29.497 -1.535 -3.536
56 H ALA 7 HN ALA 7 25.896 -3.898 -2.680
57 HA ALA 7 HA ALA 7 23.953 -3.398 -0.653
58 1HB ALA 7 HB1 ALA 7 22.805 -3.947 -3.383
59 2HB ALA 7 HB2 ALA 7 22.982 -2.306 -2.762
60 3HB ALA 7 HB3 ALA 7 21.956 -3.462 -1.912
61 HA PRO 8 HA PRO 8 24.101 -7.885 -0.470
62 1HB PRO 8 HB2 PRO 8 21.421 -8.522 -0.210
63 2HB PRO 8 HB1 PRO 8 22.474 -8.049 1.126
64 1HG PRO 8 HG2 PRO 8 20.527 -6.397 -0.430
65 2HG PRO 8 HG1 PRO 8 20.866 -6.388 1.312
66 1HD PRO 8 HD2 PRO 8 21.844 -4.492 -0.314
67 2HD PRO 8 HD1 PRO 8 22.791 -5.114 1.056
68 H GLY 9 HN GLY 9 23.666 -9.751 -1.808
69 1HA GLY 9 HA2 GLY 9 22.839 -8.866 -4.500
70 2HA GLY 9 HA1 GLY 9 24.121 -10.029 -4.184
71 H GLU 10 HN GLU 10 22.987 -11.712 -2.365
72 HA GLU 10 HA GLU 10 20.657 -12.719 -3.821
73 1HB GLU 10 HB2 GLU 10 23.082 -14.342 -3.047
74 2HB GLU 10 HB1 GLU 10 21.588 -15.015 -3.685
75 1HG GLU 10 HG2 GLU 10 22.323 -13.044 -5.506
76 2HG GLU 10 HG1 GLU 10 23.826 -13.861 -5.075
77 H ASP 11 HN ASP 11 22.624 -13.940 -1.115
78 HA ASP 11 HA ASP 11 20.121 -14.628 0.237
79 1HB ASP 11 HB2 ASP 11 21.841 -16.373 -0.124
80 2HB ASP 11 HB1 ASP 11 22.966 -15.448 0.860
81 H ALA 12 HN ALA 12 22.800 -12.485 0.467
82 HA ALA 12 HA ALA 12 23.501 -10.941 1.969
83 1HB ALA 12 HB1 ALA 12 21.381 -9.896 1.932
84 2HB ALA 12 HB2 ALA 12 21.817 -10.057 3.635
85 3HB ALA 12 HB3 ALA 12 20.652 -11.170 2.910
86 H SER 13 HN SER 13 24.064 -13.615 2.369
87 HA SER 13 HA SER 13 23.716 -14.583 4.957
88 1HB SER 13 HB2 SER 13 26.240 -15.014 3.376
89 2HB SER 13 HB1 SER 13 25.371 -16.157 4.402
90 HG SER 13 HG SER 13 23.602 -15.812 2.746
91 HA PRO 14 HA PRO 14 26.121 -12.340 7.845
92 1HB PRO 14 HB2 PRO 14 27.975 -14.677 8.089
93 2HB PRO 14 HB1 PRO 14 27.176 -13.742 9.357
94 1HG PRO 14 HG2 PRO 14 26.250 -16.134 8.663
95 2HG PRO 14 HG1 PRO 14 25.132 -14.806 9.037
96 1HD PRO 14 HD2 PRO 14 25.870 -15.981 6.404
97 2HD PRO 14 HD1 PRO 14 24.333 -15.274 6.937
98 H GLU 15 HN GLU 15 28.126 -14.020 5.409
99 HA GLU 15 HA GLU 15 30.207 -11.995 5.749
100 1HB GLU 15 HB2 GLU 15 30.819 -14.383 5.419
101 2HB GLU 15 HB1 GLU 15 30.110 -14.316 3.813
102 1HG GLU 15 HG2 GLU 15 32.542 -14.112 3.755
103 2HG GLU 15 HG1 GLU 15 31.742 -12.675 3.121
104 H GLU 16 HN GLU 16 27.518 -12.669 3.721
105 HA GLU 16 HA GLU 16 28.388 -11.164 1.449
106 1HB GLU 16 HB2 GLU 16 26.503 -13.015 1.721
107 2HB GLU 16 HB1 GLU 16 25.494 -11.609 2.020
108 1HG GLU 16 HG2 GLU 16 26.472 -10.703 -0.182
109 2HG GLU 16 HG1 GLU 16 26.974 -12.370 -0.467
110 H LEU 17 HN LEU 17 26.065 -10.570 4.099
111 HA LEU 17 HA LEU 17 25.712 -7.859 3.272
112 1HB LEU 17 HB2 LEU 17 24.068 -7.662 4.828
113 2HB LEU 17 HB1 LEU 17 24.077 -9.396 4.621
114 HG LEU 17 HG LEU 17 23.762 -9.008 6.902
115 1HD1 LEU 17 HD11 LEU 17 25.439 -10.737 6.343
116 2HD1 LEU 17 HD12 LEU 17 25.574 -10.069 7.974
117 3HD1 LEU 17 HD13 LEU 17 26.700 -9.561 6.712
118 1HD2 LEU 17 HD21 LEU 17 24.533 -7.303 8.118
119 2HD2 LEU 17 HD22 LEU 17 24.942 -6.601 6.552
120 3HD2 LEU 17 HD23 LEU 17 26.173 -7.452 7.487
121 H ASN 18 HN ASN 18 27.941 -9.519 5.293
122 HA ASN 18 HA ASN 18 28.974 -7.215 6.633
123 1HB ASN 18 HB2 ASN 18 29.396 -9.414 7.582
124 2HB ASN 18 HB1 ASN 18 30.210 -9.931 6.107
125 1HD2 ASN 18 HD21 ASN 18 32.330 -9.932 6.221
126 2HD2 ASN 18 HD22 ASN 18 33.296 -8.879 7.213
127 H ARG 19 HN ARG 19 29.773 -9.003 3.697
128 HA ARG 19 HA ARG 19 32.041 -7.626 2.882
129 1HB ARG 19 HB2 ARG 19 30.205 -9.436 1.731
130 2HB ARG 19 HB1 ARG 19 30.304 -8.072 0.629
131 1HG ARG 19 HG2 ARG 19 32.902 -8.435 1.040
132 2HG ARG 19 HG1 ARG 19 32.347 -10.078 1.371
133 1HD ARG 19 HD2 ARG 19 33.005 -9.580 -1.023
134 2HD ARG 19 HD1 ARG 19 31.414 -10.306 -0.785
135 HE ARG 19 HE ARG 19 31.728 -7.390 -1.141
136 1HH1 ARG 19 HH11 ARG 19 30.363 -10.459 -2.157
137 2HH1 ARG 19 HH12 ARG 19 29.250 -9.733 -3.270
138 1HH2 ARG 19 HH21 ARG 19 30.258 -6.436 -2.618
139 2HH2 ARG 19 HH22 ARG 19 29.195 -7.458 -3.543
140 H TYR 20 HN TYR 20 28.677 -6.948 1.946
141 HA TYR 20 HA TYR 20 29.227 -4.473 0.714
142 1HB TYR 20 HB2 TYR 20 27.128 -4.876 0.042
143 2HB TYR 20 HB1 TYR 20 26.945 -6.127 1.262
144 HD1 TYR 20 HD1 TYR 20 25.842 -5.629 3.389
145 HD2 TYR 20 HD2 TYR 20 26.245 -2.654 0.373
146 HE1 TYR 20 HE1 TYR 20 24.138 -4.259 4.520
147 HE2 TYR 20 HE2 TYR 20 24.545 -1.280 1.492
148 HH TYR 20 HH TYR 20 23.674 -1.062 3.930
149 H TYR 21 HN TYR 21 28.555 -5.364 4.012
150 HA TYR 21 HA TYR 21 27.917 -2.885 5.126
151 1HB TYR 21 HB2 TYR 21 28.030 -5.393 6.063
152 2HB TYR 21 HB1 TYR 21 29.541 -4.782 6.723
153 HD1 TYR 21 HD1 TYR 21 25.888 -4.183 6.624
154 HD2 TYR 21 HD2 TYR 21 29.565 -3.444 8.616
155 HE1 TYR 21 HE1 TYR 21 24.658 -3.195 8.499
156 HE2 TYR 21 HE2 TYR 21 28.364 -2.445 10.497
157 HH TYR 21 HH TYR 21 24.804 -2.176 10.470
158 H ALA 22 HN ALA 22 31.052 -4.579 5.234
159 HA ALA 22 HA ALA 22 32.372 -2.325 6.363
160 1HB ALA 22 HB1 ALA 22 34.442 -3.705 5.911
161 2HB ALA 22 HB2 ALA 22 33.360 -4.938 5.266
162 3HB ALA 22 HB3 ALA 22 33.218 -4.435 6.953
163 H SER 23 HN SER 23 31.775 -3.406 3.120
164 HA SER 23 HA SER 23 33.709 -1.696 1.890
165 1HB SER 23 HB2 SER 23 31.188 -2.894 0.714
166 2HB SER 23 HB1 SER 23 32.512 -2.168 -0.196
167 HG SER 23 HG SER 23 32.567 -4.528 1.380
168 H LEU 24 HN LEU 24 30.480 -1.278 3.108
169 HA LEU 24 HA LEU 24 29.979 1.258 1.932
170 1HB LEU 24 HB2 LEU 24 28.442 -0.513 3.281
171 2HB LEU 24 HB1 LEU 24 28.812 0.609 4.578
172 HG LEU 24 HG LEU 24 27.876 1.856 2.077
173 1HD1 LEU 24 HD11 LEU 24 26.056 0.157 3.775
174 2HD1 LEU 24 HD12 LEU 24 26.454 -0.098 2.075
175 3HD1 LEU 24 HD13 LEU 24 25.522 1.319 2.562
176 1HD2 LEU 24 HD21 LEU 24 27.717 2.260 4.998
177 2HD2 LEU 24 HD22 LEU 24 26.339 2.820 4.054
178 3HD2 LEU 24 HD23 LEU 24 27.958 3.438 3.704
179 H ARG 25 HN ARG 25 31.318 0.078 4.975
180 HA ARG 25 HA ARG 25 31.811 2.599 6.139
181 1HB ARG 25 HB2 ARG 25 31.979 0.124 7.090
182 2HB ARG 25 HB1 ARG 25 33.671 0.316 6.655
183 1HG ARG 25 HG2 ARG 25 33.042 0.884 9.033
184 2HG ARG 25 HG1 ARG 25 33.958 2.111 8.154
185 1HD ARG 25 HD2 ARG 25 31.067 2.370 7.854
186 2HD ARG 25 HD1 ARG 25 31.612 2.525 9.526
187 HE ARG 25 HE ARG 25 33.305 4.121 8.036
188 1HH1 ARG 25 HH11 ARG 25 29.870 3.966 8.736
189 2HH1 ARG 25 HH12 ARG 25 29.608 5.667 8.473
190 1HH2 ARG 25 HH21 ARG 25 32.964 6.367 7.689
191 2HH2 ARG 25 HH22 ARG 25 31.357 7.023 7.859
192 H HIS 26 HN HIS 26 33.701 0.546 3.992
193 HA HIS 26 HA HIS 26 36.028 2.178 3.965
194 1HB HIS 26 HB2 HIS 26 35.073 -0.206 2.575
195 2HB HIS 26 HB1 HIS 26 35.966 0.869 1.510
196 HD1 HIS 26 HD1 HIS 26 36.763 -2.028 2.902
197 HD2 HIS 26 HD2 HIS 26 38.327 1.759 3.654
198 HE1 HIS 26 HE1 HIS 26 39.045 -2.415 3.881
199 HE2 HIS 26 HE2 HIS 26 40.034 -0.119 4.195
200 H TYR 27 HN TYR 27 33.298 1.826 1.737
201 HA TYR 27 HA TYR 27 33.979 3.781 -0.111
202 1HB TYR 27 HB2 TYR 27 32.051 2.094 -0.192
203 2HB TYR 27 HB1 TYR 27 31.147 3.246 0.785
204 HD1 TYR 27 HD1 TYR 27 33.320 3.429 -2.257
205 HD2 TYR 27 HD2 TYR 27 29.612 4.487 -0.442
206 HE1 TYR 27 HE1 TYR 27 32.657 4.623 -4.303
207 HE2 TYR 27 HE2 TYR 27 28.956 5.685 -2.469
208 HH TYR 27 HH TYR 27 30.012 5.274 -5.277
209 H LEU 28 HN LEU 28 31.950 4.054 2.794
210 HA LEU 28 HA LEU 28 31.436 6.826 2.500
211 1HB LEU 28 HB2 LEU 28 31.128 4.819 4.652
212 2HB LEU 28 HB1 LEU 28 31.182 6.494 5.162
213 HG LEU 28 HG LEU 28 29.251 7.032 3.826
214 1HD1 LEU 28 HD11 LEU 28 28.247 4.612 2.904
215 2HD1 LEU 28 HD12 LEU 28 29.940 4.627 2.413
216 3HD1 LEU 28 HD13 LEU 28 28.874 5.949 1.937
217 1HD2 LEU 28 HD21 LEU 28 27.819 6.240 5.332
218 2HD2 LEU 28 HD22 LEU 28 29.224 5.447 6.044
219 3HD2 LEU 28 HD23 LEU 28 28.184 4.562 4.928
220 H ASN 29 HN ASN 29 34.064 5.083 4.025
221 HA ASN 29 HA ASN 29 35.200 7.336 5.360
222 1HB ASN 29 HB2 ASN 29 35.601 4.682 5.574
223 2HB ASN 29 HB1 ASN 29 36.963 5.091 4.539
224 1HD2 ASN 29 HD21 ASN 29 37.871 4.150 6.679
225 2HD2 ASN 29 HD22 ASN 29 38.353 5.345 7.842
226 H LEU 30 HN LEU 30 35.420 6.052 2.138
227 HA LEU 30 HA LEU 30 37.800 7.569 1.521
228 1HB LEU 30 HB2 LEU 30 36.440 5.324 0.424
229 2HB LEU 30 HB1 LEU 30 36.599 6.541 -0.827
230 HG LEU 30 HG LEU 30 38.493 4.665 -0.143
231 1HD1 LEU 30 HD11 LEU 30 39.892 5.797 -1.727
232 2HD1 LEU 30 HD12 LEU 30 39.030 7.316 -1.475
233 3HD1 LEU 30 HD13 LEU 30 38.217 5.960 -2.256
234 1HD2 LEU 30 HD21 LEU 30 39.428 7.329 0.929
235 2HD2 LEU 30 HD22 LEU 30 40.372 5.839 0.823
236 3HD2 LEU 30 HD23 LEU 30 38.998 5.939 1.926
237 H VAL 31 HN VAL 31 34.379 7.609 0.447
238 HA VAL 31 HA VAL 31 34.856 9.757 -1.384
239 HB VAL 31 HB VAL 31 32.109 9.037 -0.400
240 1HG1 VAL 31 HG11 VAL 31 32.241 10.892 -1.942
241 2HG1 VAL 31 HG12 VAL 31 31.535 9.501 -2.768
242 3HG1 VAL 31 HG13 VAL 31 33.219 9.938 -3.058
243 1HG2 VAL 31 HG21 VAL 31 32.341 7.415 -2.512
244 2HG2 VAL 31 HG22 VAL 31 32.671 6.888 -0.863
245 3HG2 VAL 31 HG23 VAL 31 34.000 7.349 -1.923
246 H THR 32 HN THR 32 34.964 9.906 1.832
247 HA THR 32 HA THR 32 33.541 12.411 2.156
248 HB THR 32 HB THR 32 35.088 12.177 4.393
249 HG1 THR 32 HG1 THR 32 34.304 9.513 4.068
250 1HG2 THR 32 HG21 THR 32 32.765 10.498 4.675
251 2HG2 THR 32 HG22 THR 32 32.389 11.914 3.696
252 3HG2 THR 32 HG23 THR 32 33.056 12.116 5.315
253 H ARG 33 HN ARG 33 36.338 11.541 0.701
254 HA ARG 33 HA ARG 33 37.414 14.206 0.743
255 1HB ARG 33 HB2 ARG 33 39.736 13.294 1.441
256 2HB ARG 33 HB1 ARG 33 38.561 13.675 2.689
257 1HG ARG 33 HG2 ARG 33 37.968 11.089 2.305
258 2HG ARG 33 HG1 ARG 33 39.680 11.075 1.873
259 1HD ARG 33 HD2 ARG 33 40.281 11.217 4.009
260 2HD ARG 33 HD1 ARG 33 39.271 12.642 4.244
261 HE ARG 33 HE ARG 33 37.529 10.521 4.281
262 1HH1 ARG 33 HH11 ARG 33 40.396 11.441 6.065
263 2HH1 ARG 33 HH12 ARG 33 39.900 10.631 7.519
264 1HH2 ARG 33 HH21 ARG 33 36.845 9.509 6.201
265 2HH2 ARG 33 HH22 ARG 33 37.857 9.552 7.611
266 H GLN 34 HN GLN 34 37.649 10.863 -0.254
267 HA GLN 34 HA GLN 34 38.164 9.892 -2.230
268 1HB GLN 34 HB2 GLN 34 37.254 11.788 -3.451
269 2HB GLN 34 HB1 GLN 34 38.735 12.701 -3.198
270 1HG GLN 34 HG2 GLN 34 38.576 11.798 -5.463
271 2HG GLN 34 HG1 GLN 34 39.967 11.160 -4.589
272 1HE2 GLN 34 HE21 GLN 34 40.148 9.004 -4.300
273 2HE2 GLN 34 HE22 GLN 34 38.993 7.839 -4.852
274 H ARG 35 HN ARG 35 40.479 12.556 -1.673
275 HA ARG 35 HA ARG 35 42.740 12.600 -1.536
276 1HB ARG 35 HB2 ARG 35 41.880 10.266 -0.009
277 2HB ARG 35 HB1 ARG 35 43.528 10.110 -0.599
278 1HG ARG 35 HG2 ARG 35 42.971 12.721 0.559
279 2HG ARG 35 HG1 ARG 35 42.756 11.387 1.695
280 1HD ARG 35 HD2 ARG 35 45.093 10.745 0.386
281 2HD ARG 35 HD1 ARG 35 45.193 12.497 0.546
282 HE ARG 35 HE ARG 35 44.771 12.103 2.990
283 1HH1 ARG 35 HH11 ARG 35 46.238 9.644 0.974
284 2HH1 ARG 35 HH12 ARG 35 47.079 8.870 2.279
285 1HH2 ARG 35 HH21 ARG 35 45.899 11.119 4.722
286 2HH2 ARG 35 HH22 ARG 35 46.897 9.722 4.420
287 H TYR 36 HN TYR 36 43.701 9.428 -1.786
288 HA TYR 36 HA TYR 36 43.537 9.086 -4.614
289 1HB TYR 36 HB2 TYR 36 45.590 9.753 -5.329
290 2HB TYR 36 HB1 TYR 36 45.484 10.833 -3.947
291 HD1 TYR 36 HD1 TYR 36 47.468 8.441 -5.587
292 HD2 TYR 36 HD2 TYR 36 46.465 9.844 -1.692
293 HE1 TYR 36 HE1 TYR 36 49.563 7.498 -4.714
294 HE2 TYR 36 HE2 TYR 36 48.557 8.898 -0.813
295 HH TYR 36 HH TYR 36 50.983 7.486 -2.949
296 1HN NH2 37 H1 NH2 37 44.891 5.823 -4.085
297 2HN NH2 37 H2 NH2 37 44.665 7.057 -5.276
Start of MODEL 6
1 1H TYR 1 HT1 TYR 1 35.885 5.773 -5.800
2 2H TYR 1 HT2 TYR 1 34.328 5.157 -6.078
3 3H TYR 1 HT3 TYR 1 34.755 6.685 -6.674
4 HA TYR 1 HA TYR 1 34.940 5.459 -8.542
5 1HB TYR 1 HB2 TYR 1 37.386 6.136 -7.263
6 2HB TYR 1 HB1 TYR 1 37.630 4.626 -8.135
7 HD1 TYR 1 HD1 TYR 1 38.562 4.932 -10.216
8 HD2 TYR 1 HD2 TYR 1 35.754 7.792 -8.789
9 HE1 TYR 1 HE1 TYR 1 38.769 6.180 -12.327
10 HE2 TYR 1 HE2 TYR 1 35.955 9.047 -10.889
11 HH TYR 1 HH TYR 1 37.361 7.797 -13.661
12 HA PRO 2 HA PRO 2 36.261 0.883 -7.011
13 1HB PRO 2 HB2 PRO 2 34.923 0.733 -4.502
14 2HB PRO 2 HB1 PRO 2 36.646 0.525 -4.813
15 1HG PRO 2 HG2 PRO 2 35.175 2.892 -3.830
16 2HG PRO 2 HG1 PRO 2 36.862 2.423 -3.570
17 1HD PRO 2 HD2 PRO 2 36.178 4.450 -5.197
18 2HD PRO 2 HD1 PRO 2 37.568 3.398 -5.537
19 H ILE 3 HN ILE 3 34.713 -0.833 -7.007
20 HA ILE 3 HA ILE 3 32.737 -0.512 -8.771
21 HB ILE 3 HB ILE 3 33.419 -2.693 -8.282
22 1HG1 ILE 3 HG12 ILE 3 31.009 -3.603 -7.285
23 2HG1 ILE 3 HG11 ILE 3 30.592 -2.043 -7.993
24 1HG2 ILE 3 HG21 ILE 3 32.186 -3.087 -5.670
25 2HG2 ILE 3 HG22 ILE 3 33.528 -1.945 -5.663
26 3HG2 ILE 3 HG23 ILE 3 33.768 -3.585 -6.269
27 1HD1 ILE 3 HD11 ILE 3 32.098 -4.199 -9.448
28 2HD1 ILE 3 HD12 ILE 3 31.429 -2.712 -10.118
29 3HD1 ILE 3 HD13 ILE 3 30.349 -3.974 -9.530
30 H LYS 4 HN LYS 4 31.602 -1.214 -5.468
31 HA LYS 4 HA LYS 4 30.121 0.977 -4.826
32 1HB LYS 4 HB2 LYS 4 28.967 -0.280 -7.133
33 2HB LYS 4 HB1 LYS 4 27.877 -0.500 -5.773
34 1HG LYS 4 HG2 LYS 4 27.814 1.895 -5.399
35 2HG LYS 4 HG1 LYS 4 28.978 2.146 -6.701
36 1HD LYS 4 HD2 LYS 4 26.171 1.068 -6.949
37 2HD LYS 4 HD1 LYS 4 26.777 2.613 -7.543
38 1HE LYS 4 HE2 LYS 4 27.627 -0.122 -8.497
39 2HE LYS 4 HE1 LYS 4 26.571 0.994 -9.359
40 1HZ LYS 4 HZ1 LYS 4 28.579 1.406 -10.341
41 2HZ LYS 4 HZ2 LYS 4 29.475 1.147 -8.921
42 3HZ LYS 4 HZ3 LYS 4 28.598 2.583 -9.125
43 HA PRO 5 HA PRO 5 28.887 -2.028 -1.674
44 1HB PRO 5 HB2 PRO 5 27.205 -0.478 -0.242
45 2HB PRO 5 HB1 PRO 5 28.958 -0.262 -0.170
46 1HG PRO 5 HG2 PRO 5 26.915 1.293 -1.697
47 2HG PRO 5 HG1 PRO 5 28.325 1.879 -0.797
48 1HD PRO 5 HD2 PRO 5 28.273 1.573 -3.521
49 2HD PRO 5 HD1 PRO 5 29.753 1.492 -2.546
50 H GLU 6 HN GLU 6 27.828 -3.238 -3.387
51 HA GLU 6 HA GLU 6 25.455 -2.564 -4.644
52 1HB GLU 6 HB2 GLU 6 25.274 -5.119 -5.007
53 2HB GLU 6 HB1 GLU 6 26.654 -4.260 -5.675
54 1HG GLU 6 HG2 GLU 6 28.012 -5.638 -4.616
55 2HG GLU 6 HG1 GLU 6 27.372 -5.075 -3.073
56 H ALA 7 HN ALA 7 25.926 -4.202 -1.580
57 HA ALA 7 HA ALA 7 24.527 -4.751 0.117
58 1HB ALA 7 HB1 ALA 7 22.080 -3.765 -0.156
59 2HB ALA 7 HB2 ALA 7 22.889 -2.754 -1.353
60 3HB ALA 7 HB3 ALA 7 23.446 -2.755 0.320
61 HA PRO 8 HA PRO 8 22.953 -8.337 -2.031
62 1HB PRO 8 HB2 PRO 8 23.186 -10.063 0.007
63 2HB PRO 8 HB1 PRO 8 24.601 -9.445 -0.855
64 1HG PRO 8 HG2 PRO 8 23.460 -8.573 1.772
65 2HG PRO 8 HG1 PRO 8 25.152 -8.849 1.321
66 1HD PRO 8 HD2 PRO 8 23.988 -6.371 1.404
67 2HD PRO 8 HD1 PRO 8 25.357 -6.783 0.351
68 H GLY 9 HN GLY 9 21.072 -6.380 -0.903
69 1HA GLY 9 HA2 GLY 9 18.730 -6.508 -0.950
70 2HA GLY 9 HA1 GLY 9 18.843 -8.234 -0.637
71 H GLU 10 HN GLU 10 20.865 -6.716 1.453
72 HA GLU 10 HA GLU 10 20.889 -6.334 3.672
73 1HB GLU 10 HB2 GLU 10 17.983 -5.583 3.393
74 2HB GLU 10 HB1 GLU 10 19.083 -5.099 4.676
75 1HG GLU 10 HG2 GLU 10 19.343 -4.319 1.778
76 2HG GLU 10 HG1 GLU 10 18.668 -3.308 3.054
77 H ASP 11 HN ASP 11 19.685 -8.852 2.400
78 HA ASP 11 HA ASP 11 19.240 -10.250 4.885
79 1HB ASP 11 HB2 ASP 11 16.955 -9.436 4.222
80 2HB ASP 11 HB1 ASP 11 17.118 -10.338 2.719
81 H ALA 12 HN ALA 12 21.213 -11.214 4.225
82 HA ALA 12 HA ALA 12 20.977 -13.183 2.082
83 1HB ALA 12 HB1 ALA 12 22.976 -12.381 0.937
84 2HB ALA 12 HB2 ALA 12 23.072 -11.016 2.056
85 3HB ALA 12 HB3 ALA 12 21.706 -11.154 0.942
86 H SER 13 HN SER 13 23.760 -13.644 1.842
87 HA SER 13 HA SER 13 24.303 -15.259 4.087
88 1HB SER 13 HB2 SER 13 26.707 -14.679 2.677
89 2HB SER 13 HB1 SER 13 25.727 -16.142 2.598
90 HG SER 13 HG SER 13 26.134 -14.568 0.638
91 HA PRO 14 HA PRO 14 25.852 -12.454 7.070
92 1HB PRO 14 HB2 PRO 14 27.925 -14.030 8.056
93 2HB PRO 14 HB1 PRO 14 26.241 -14.087 8.589
94 1HG PRO 14 HG2 PRO 14 27.678 -15.840 6.643
95 2HG PRO 14 HG1 PRO 14 26.455 -16.272 7.852
96 1HD PRO 14 HD2 PRO 14 25.836 -16.086 5.262
97 2HD PRO 14 HD1 PRO 14 24.702 -15.536 6.518
98 H GLU 15 HN GLU 15 28.344 -14.121 5.142
99 HA GLU 15 HA GLU 15 30.301 -12.092 5.583
100 1HB GLU 15 HB2 GLU 15 30.124 -14.559 3.929
101 2HB GLU 15 HB1 GLU 15 31.303 -13.345 3.452
102 1HG GLU 15 HG2 GLU 15 31.122 -14.696 6.132
103 2HG GLU 15 HG1 GLU 15 32.318 -15.007 4.876
104 H GLU 16 HN GLU 16 27.771 -12.577 3.253
105 HA GLU 16 HA GLU 16 28.761 -10.745 1.300
106 1HB GLU 16 HB2 GLU 16 26.435 -12.424 1.634
107 2HB GLU 16 HB1 GLU 16 25.957 -10.815 1.109
108 1HG GLU 16 HG2 GLU 16 26.300 -12.283 -0.788
109 2HG GLU 16 HG1 GLU 16 27.483 -10.973 -0.782
110 H LEU 17 HN LEU 17 26.371 -10.606 3.893
111 HA LEU 17 HA LEU 17 25.820 -7.852 3.634
112 1HB LEU 17 HB2 LEU 17 24.464 -9.569 4.900
113 2HB LEU 17 HB1 LEU 17 25.664 -9.457 6.180
114 HG LEU 17 HG LEU 17 25.094 -6.872 6.019
115 1HD1 LEU 17 HD11 LEU 17 22.589 -8.218 5.015
116 2HD1 LEU 17 HD12 LEU 17 23.574 -7.042 4.148
117 3HD1 LEU 17 HD13 LEU 17 22.686 -6.553 5.590
118 1HD2 LEU 17 HD21 LEU 17 24.854 -8.367 7.985
119 2HD2 LEU 17 HD22 LEU 17 23.256 -8.828 7.396
120 3HD2 LEU 17 HD23 LEU 17 23.576 -7.158 7.862
121 H ASN 18 HN ASN 18 28.181 -9.652 5.550
122 HA ASN 18 HA ASN 18 29.318 -7.468 6.919
123 1HB ASN 18 HB2 ASN 18 29.818 -9.657 7.717
124 2HB ASN 18 HB1 ASN 18 30.389 -10.181 6.137
125 1HD2 ASN 18 HD21 ASN 18 32.459 -10.632 6.334
126 2HD2 ASN 18 HD22 ASN 18 33.640 -9.614 7.094
127 H ARG 19 HN ARG 19 30.000 -8.919 3.770
128 HA ARG 19 HA ARG 19 32.301 -7.443 3.141
129 1HB ARG 19 HB2 ARG 19 30.338 -9.048 1.676
130 2HB ARG 19 HB1 ARG 19 31.065 -7.770 0.709
131 1HG ARG 19 HG2 ARG 19 33.303 -8.608 1.381
132 2HG ARG 19 HG1 ARG 19 32.506 -9.949 2.203
133 1HD ARG 19 HD2 ARG 19 31.863 -9.435 -0.658
134 2HD ARG 19 HD1 ARG 19 33.407 -10.187 -0.260
135 HE ARG 19 HE ARG 19 30.811 -11.399 -0.154
136 1HH1 ARG 19 HH11 ARG 19 34.024 -11.496 1.249
137 2HH1 ARG 19 HH12 ARG 19 33.885 -13.145 1.768
138 1HH2 ARG 19 HH21 ARG 19 30.630 -13.554 0.497
139 2HH2 ARG 19 HH22 ARG 19 31.956 -14.333 1.326
140 H TYR 20 HN TYR 20 28.929 -6.806 2.162
141 HA TYR 20 HA TYR 20 29.451 -4.284 1.019
142 1HB TYR 20 HB2 TYR 20 27.339 -4.605 0.342
143 2HB TYR 20 HB1 TYR 20 27.173 -5.958 1.451
144 HD1 TYR 20 HD1 TYR 20 26.104 -5.657 3.632
145 HD2 TYR 20 HD2 TYR 20 26.435 -2.423 0.878
146 HE1 TYR 20 HE1 TYR 20 24.425 -4.401 4.918
147 HE2 TYR 20 HE2 TYR 20 24.758 -1.154 2.158
148 HH TYR 20 HH TYR 20 22.650 -2.343 4.080
149 H TYR 21 HN TYR 21 28.697 -5.300 4.267
150 HA TYR 21 HA TYR 21 28.090 -2.985 5.603
151 1HB TYR 21 HB2 TYR 21 28.707 -5.559 6.272
152 2HB TYR 21 HB1 TYR 21 30.092 -4.697 6.923
153 HD1 TYR 21 HD1 TYR 21 29.953 -3.572 8.952
154 HD2 TYR 21 HD2 TYR 21 26.393 -4.860 7.019
155 HE1 TYR 21 HE1 TYR 21 28.683 -3.047 10.975
156 HE2 TYR 21 HE2 TYR 21 25.095 -4.329 9.038
157 HH TYR 21 HH TYR 21 25.740 -2.466 11.219
158 H ALA 22 HN ALA 22 31.366 -4.348 5.556
159 HA ALA 22 HA ALA 22 32.516 -1.940 6.528
160 1HB ALA 22 HB1 ALA 22 33.486 -4.070 7.070
161 2HB ALA 22 HB2 ALA 22 34.660 -3.095 6.190
162 3HB ALA 22 HB3 ALA 22 33.806 -4.398 5.367
163 H SER 23 HN SER 23 32.043 -3.271 3.323
164 HA SER 23 HA SER 23 33.851 -1.603 1.946
165 1HB SER 23 HB2 SER 23 31.282 -2.890 0.998
166 2HB SER 23 HB1 SER 23 32.459 -2.112 -0.060
167 HG SER 23 HG SER 23 32.729 -4.460 1.477
168 H LEU 24 HN LEU 24 30.457 -1.152 2.842
169 HA LEU 24 HA LEU 24 30.126 1.309 1.485
170 1HB LEU 24 HB2 LEU 24 28.067 0.446 1.896
171 2HB LEU 24 HB1 LEU 24 28.587 -0.377 3.350
172 HG LEU 24 HG LEU 24 28.550 2.438 3.861
173 1HD1 LEU 24 HD11 LEU 24 26.973 2.854 2.195
174 2HD1 LEU 24 HD12 LEU 24 25.998 2.604 3.646
175 3HD1 LEU 24 HD13 LEU 24 26.156 1.312 2.453
176 1HD2 LEU 24 HD21 LEU 24 28.012 0.075 5.159
177 2HD2 LEU 24 HD22 LEU 24 26.419 0.821 5.014
178 3HD2 LEU 24 HD23 LEU 24 27.737 1.693 5.804
179 H ARG 25 HN ARG 25 31.045 0.351 4.749
180 HA ARG 25 HA ARG 25 31.192 2.901 5.901
181 1HB ARG 25 HB2 ARG 25 32.359 0.243 6.450
182 2HB ARG 25 HB1 ARG 25 33.239 1.609 7.125
183 1HG ARG 25 HG2 ARG 25 31.826 1.589 8.825
184 2HG ARG 25 HG1 ARG 25 30.549 2.086 7.709
185 1HD ARG 25 HD2 ARG 25 30.524 -0.502 7.169
186 2HD ARG 25 HD1 ARG 25 31.192 -0.604 8.798
187 HE ARG 25 HE ARG 25 28.523 0.295 8.045
188 1HH1 ARG 25 HH11 ARG 25 30.918 -0.187 10.559
189 2HH1 ARG 25 HH12 ARG 25 29.758 -0.081 11.850
190 1HH2 ARG 25 HH21 ARG 25 26.996 0.414 9.747
191 2HH2 ARG 25 HH22 ARG 25 27.546 0.262 11.395
192 H HIS 26 HN HIS 26 33.796 0.970 4.415
193 HA HIS 26 HA HIS 26 35.722 3.026 4.588
194 1HB HIS 26 HB2 HIS 26 36.142 0.521 4.261
195 2HB HIS 26 HB1 HIS 26 35.804 0.801 2.554
196 HD1 HIS 26 HD1 HIS 26 37.909 0.998 1.289
197 HD2 HIS 26 HD2 HIS 26 38.225 2.667 5.085
198 HE1 HIS 26 HE1 HIS 26 40.217 1.998 1.403
199 HE2 HIS 26 HE2 HIS 26 40.303 3.179 3.633
200 H TYR 27 HN TYR 27 33.489 2.064 2.025
201 HA TYR 27 HA TYR 27 34.441 3.816 0.053
202 1HB TYR 27 HB2 TYR 27 32.596 1.930 -0.050
203 2HB TYR 27 HB1 TYR 27 31.507 3.271 0.291
204 HD1 TYR 27 HD1 TYR 27 31.969 5.419 -1.258
205 HD2 TYR 27 HD2 TYR 27 32.960 1.404 -2.255
206 HE1 TYR 27 HE1 TYR 27 31.996 6.026 -3.632
207 HE2 TYR 27 HE2 TYR 27 32.992 2.001 -4.639
208 HH TYR 27 HH TYR 27 32.408 3.586 -6.155
209 H LEU 28 HN LEU 28 31.787 4.199 2.395
210 HA LEU 28 HA LEU 28 31.252 6.869 1.540
211 1HB LEU 28 HB2 LEU 28 30.353 5.326 3.965
212 2HB LEU 28 HB1 LEU 28 29.807 6.952 3.604
213 HG LEU 28 HG LEU 28 29.044 4.378 2.358
214 1HD1 LEU 28 HD11 LEU 28 27.201 5.150 3.353
215 2HD1 LEU 28 HD12 LEU 28 27.056 6.198 1.940
216 3HD1 LEU 28 HD13 LEU 28 27.811 6.805 3.416
217 1HD2 LEU 28 HD21 LEU 28 28.269 5.852 0.326
218 2HD2 LEU 28 HD22 LEU 28 29.874 5.114 0.345
219 3HD2 LEU 28 HD23 LEU 28 29.680 6.817 0.764
220 H ASN 29 HN ASN 29 33.698 5.668 3.581
221 HA ASN 29 HA ASN 29 34.162 8.451 4.455
222 1HB ASN 29 HB2 ASN 29 34.927 7.796 6.505
223 2HB ASN 29 HB1 ASN 29 33.835 6.458 6.202
224 1HD2 ASN 29 HD21 ASN 29 34.639 4.437 5.895
225 2HD2 ASN 29 HD22 ASN 29 36.300 4.022 6.181
226 H LEU 30 HN LEU 30 35.127 6.417 2.116
227 HA LEU 30 HA LEU 30 37.825 7.438 2.088
228 1HB LEU 30 HB2 LEU 30 37.528 5.339 0.996
229 2HB LEU 30 HB1 LEU 30 36.155 5.937 0.078
230 HG LEU 30 HG LEU 30 37.623 7.416 -1.171
231 1HD1 LEU 30 HD11 LEU 30 39.963 6.062 0.136
232 2HD1 LEU 30 HD12 LEU 30 39.296 7.575 0.758
233 3HD1 LEU 30 HD13 LEU 30 39.955 7.504 -0.880
234 1HD2 LEU 30 HD21 LEU 30 39.061 5.531 -2.222
235 2HD2 LEU 30 HD22 LEU 30 37.302 5.421 -2.303
236 3HD2 LEU 30 HD23 LEU 30 38.191 4.484 -1.100
237 H VAL 31 HN VAL 31 34.646 8.198 0.885
238 HA VAL 31 HA VAL 31 35.501 10.401 -0.736
239 HB VAL 31 HB VAL 31 33.003 11.014 -0.623
240 1HG1 VAL 31 HG11 VAL 31 33.957 10.024 -2.581
241 2HG1 VAL 31 HG12 VAL 31 32.433 9.206 -2.235
242 3HG1 VAL 31 HG13 VAL 31 33.963 8.429 -1.830
243 1HG2 VAL 31 HG21 VAL 31 32.820 8.204 0.451
244 2HG2 VAL 31 HG22 VAL 31 31.483 9.282 0.051
245 3HG2 VAL 31 HG23 VAL 31 32.544 9.661 1.408
246 H THR 32 HN THR 32 36.866 11.255 0.984
247 HA THR 32 HA THR 32 37.301 13.263 2.017
248 HB THR 32 HB THR 32 34.296 13.490 1.859
249 HG1 THR 32 HG1 THR 32 34.998 14.344 0.058
250 1HG2 THR 32 HG21 THR 32 36.097 15.463 3.265
251 2HG2 THR 32 HG22 THR 32 34.875 14.445 4.027
252 3HG2 THR 32 HG23 THR 32 34.391 15.705 2.891
253 H ARG 33 HN ARG 33 35.926 10.529 3.050
254 HA ARG 33 HA ARG 33 35.633 9.427 4.998
255 1HB ARG 33 HB2 ARG 33 37.974 10.566 5.309
256 2HB ARG 33 HB1 ARG 33 37.122 11.571 6.481
257 1HG ARG 33 HG2 ARG 33 36.417 8.910 7.054
258 2HG ARG 33 HG1 ARG 33 38.159 8.924 6.770
259 1HD ARG 33 HD2 ARG 33 37.933 9.352 9.063
260 2HD ARG 33 HD1 ARG 33 38.227 10.933 8.338
261 HE ARG 33 HE ARG 33 35.493 10.649 8.401
262 1HH1 ARG 33 HH11 ARG 33 38.093 10.704 10.753
263 2HH1 ARG 33 HH12 ARG 33 37.093 11.330 12.035
264 1HH2 ARG 33 HH21 ARG 33 34.187 11.458 10.066
265 2HH2 ARG 33 HH22 ARG 33 34.852 11.737 11.645
266 H GLN 34 HN GLN 34 33.995 11.763 4.059
267 HA GLN 34 HA GLN 34 32.239 13.067 4.684
268 1HB GLN 34 HB2 GLN 34 32.029 10.583 6.226
269 2HB GLN 34 HB1 GLN 34 31.124 11.924 6.914
270 1HG GLN 34 HG2 GLN 34 29.935 12.235 4.825
271 2HG GLN 34 HG1 GLN 34 30.888 10.952 4.075
272 1HE2 GLN 34 HE21 GLN 34 30.481 8.825 4.612
273 2HE2 GLN 34 HE22 GLN 34 29.030 8.337 5.422
274 H ARG 35 HN ARG 35 34.849 13.729 5.872
275 HA ARG 35 HA ARG 35 34.055 14.794 8.486
276 1HB ARG 35 HB2 ARG 35 36.295 13.439 7.842
277 2HB ARG 35 HB1 ARG 35 36.854 15.084 7.563
278 1HG ARG 35 HG2 ARG 35 35.786 15.494 9.931
279 2HG ARG 35 HG1 ARG 35 36.050 13.755 10.096
280 1HD ARG 35 HD2 ARG 35 38.007 14.721 10.939
281 2HD ARG 35 HD1 ARG 35 38.433 14.232 9.299
282 HE ARG 35 HE ARG 35 38.509 16.472 8.659
283 1HH1 ARG 35 HH11 ARG 35 37.573 16.150 12.020
284 2HH1 ARG 35 HH12 ARG 35 37.819 17.837 12.379
285 1HH2 ARG 35 HH21 ARG 35 38.889 18.665 9.133
286 2HH2 ARG 35 HH22 ARG 35 38.591 19.266 10.746
287 H TYR 36 HN TYR 36 32.749 16.207 6.834
288 HA TYR 36 HA TYR 36 32.284 18.289 6.064
289 1HB TYR 36 HB2 TYR 36 34.496 18.836 8.012
290 2HB TYR 36 HB1 TYR 36 33.816 20.149 7.057
291 HD1 TYR 36 HD1 TYR 36 31.589 20.965 7.486
292 HD2 TYR 36 HD2 TYR 36 33.139 17.683 9.705
293 HE1 TYR 36 HE1 TYR 36 29.760 21.205 9.108
294 HE2 TYR 36 HE2 TYR 36 31.309 17.916 11.328
295 HH TYR 36 HH TYR 36 29.685 20.317 11.921
296 1HN NH2 37 H1 NH2 37 34.360 18.210 3.160
297 2HN NH2 37 H2 NH2 37 32.998 17.461 3.914
Start of MODEL 7
1 1H TYR 1 HT1 TYR 1 34.344 9.667 -10.200
2 2H TYR 1 HT2 TYR 1 35.037 11.111 -9.640
3 3H TYR 1 HT3 TYR 1 33.370 11.042 -9.972
4 HA TYR 1 HA TYR 1 34.847 10.203 -7.642
5 1HB TYR 1 HB2 TYR 1 32.276 11.437 -8.378
6 2HB TYR 1 HB1 TYR 1 32.188 10.353 -6.992
7 HD1 TYR 1 HD1 TYR 1 32.755 11.147 -4.879
8 HD2 TYR 1 HD2 TYR 1 34.158 13.238 -8.311
9 HE1 TYR 1 HE1 TYR 1 33.639 12.924 -3.426
10 HE2 TYR 1 HE2 TYR 1 35.039 15.023 -6.868
11 HH TYR 1 HH TYR 1 35.842 15.076 -4.274
12 HA PRO 2 HA PRO 2 33.580 5.953 -7.656
13 1HB PRO 2 HB2 PRO 2 33.389 5.406 -5.038
14 2HB PRO 2 HB1 PRO 2 34.948 5.761 -5.795
15 1HG PRO 2 HG2 PRO 2 33.159 7.568 -4.207
16 2HG PRO 2 HG1 PRO 2 34.916 7.355 -4.095
17 1HD PRO 2 HD2 PRO 2 33.761 9.410 -5.456
18 2HD PRO 2 HD1 PRO 2 35.325 8.703 -5.911
19 H ILE 3 HN ILE 3 31.909 4.498 -6.235
20 HA ILE 3 HA ILE 3 29.398 5.958 -5.984
21 HB ILE 3 HB ILE 3 29.398 5.169 -8.268
22 1HG1 ILE 3 HG12 ILE 3 27.522 3.347 -6.765
23 2HG1 ILE 3 HG11 ILE 3 27.288 5.090 -6.842
24 1HG2 ILE 3 HG21 ILE 3 30.747 2.939 -7.286
25 2HG2 ILE 3 HG22 ILE 3 30.276 3.266 -8.954
26 3HG2 ILE 3 HG23 ILE 3 29.213 2.329 -7.905
27 1HD1 ILE 3 HD11 ILE 3 27.335 4.830 -9.367
28 2HD1 ILE 3 HD12 ILE 3 25.926 4.194 -8.518
29 3HD1 ILE 3 HD13 ILE 3 27.188 3.098 -9.077
30 H LYS 4 HN LYS 4 28.823 2.637 -6.073
31 HA LYS 4 HA LYS 4 29.648 1.818 -3.501
32 1HB LYS 4 HB2 LYS 4 27.350 1.792 -2.452
33 2HB LYS 4 HB1 LYS 4 28.067 3.390 -2.604
34 1HG LYS 4 HG2 LYS 4 26.544 4.087 -4.138
35 2HG LYS 4 HG1 LYS 4 26.316 2.474 -4.812
36 1HD LYS 4 HD2 LYS 4 25.312 3.314 -2.097
37 2HD LYS 4 HD1 LYS 4 24.339 3.395 -3.567
38 1HE LYS 4 HE2 LYS 4 25.490 0.811 -3.428
39 2HE LYS 4 HE1 LYS 4 24.797 1.170 -1.846
40 1HZ LYS 4 HZ1 LYS 4 23.240 0.090 -3.424
41 2HZ LYS 4 HZ2 LYS 4 23.320 1.472 -4.407
42 3HZ LYS 4 HZ3 LYS 4 22.685 1.583 -2.840
43 HA PRO 5 HA PRO 5 28.244 -2.011 -5.363
44 1HB PRO 5 HB2 PRO 5 27.740 -3.031 -2.653
45 2HB PRO 5 HB1 PRO 5 28.881 -3.612 -3.868
46 1HG PRO 5 HG2 PRO 5 29.696 -2.346 -1.637
47 2HG PRO 5 HG1 PRO 5 30.546 -2.174 -3.182
48 1HD PRO 5 HD2 PRO 5 28.637 -0.294 -1.848
49 2HD PRO 5 HD1 PRO 5 30.131 0.062 -2.746
50 H GLU 6 HN GLU 6 26.278 -2.339 -6.189
51 HA GLU 6 HA GLU 6 24.041 -0.912 -5.663
52 1HB GLU 6 HB2 GLU 6 24.551 -2.497 -7.602
53 2HB GLU 6 HB1 GLU 6 23.852 -3.761 -6.599
54 1HG GLU 6 HG2 GLU 6 22.038 -3.141 -7.834
55 2HG GLU 6 HG1 GLU 6 21.847 -2.097 -6.425
56 H ALA 7 HN ALA 7 23.767 -4.365 -5.009
57 HA ALA 7 HA ALA 7 23.156 -4.291 -2.291
58 1HB ALA 7 HB1 ALA 7 20.581 -4.722 -2.710
59 2HB ALA 7 HB2 ALA 7 20.873 -3.678 -4.102
60 3HB ALA 7 HB3 ALA 7 21.209 -3.091 -2.473
61 HA PRO 8 HA PRO 8 23.578 -8.571 -3.522
62 1HB PRO 8 HB2 PRO 8 23.254 -9.180 -0.681
63 2HB PRO 8 HB1 PRO 8 24.663 -9.415 -1.716
64 1HG PRO 8 HG2 PRO 8 24.588 -7.556 0.247
65 2HG PRO 8 HG1 PRO 8 25.516 -7.332 -1.247
66 1HD PRO 8 HD2 PRO 8 22.851 -6.203 -0.479
67 2HD PRO 8 HD1 PRO 8 24.201 -5.426 -1.333
68 H GLY 9 HN GLY 9 20.994 -7.185 -1.674
69 1HA GLY 9 HA2 GLY 9 18.803 -8.039 -2.721
70 2HA GLY 9 HA1 GLY 9 19.335 -9.572 -2.037
71 H GLU 10 HN GLU 10 17.415 -9.549 -0.708
72 HA GLU 10 HA GLU 10 17.628 -7.637 1.509
73 1HB GLU 10 HB2 GLU 10 15.287 -9.327 1.670
74 2HB GLU 10 HB1 GLU 10 15.387 -7.576 1.591
75 1HG GLU 10 HG2 GLU 10 15.898 -8.684 -0.998
76 2HG GLU 10 HG1 GLU 10 14.398 -9.338 -0.348
77 H ASP 11 HN ASP 11 18.658 -10.560 0.640
78 HA ASP 11 HA ASP 11 19.151 -11.424 3.324
79 1HB ASP 11 HB2 ASP 11 17.131 -12.569 3.296
80 2HB ASP 11 HB1 ASP 11 17.183 -12.828 1.558
81 H ALA 12 HN ALA 12 21.214 -11.845 3.202
82 HA ALA 12 HA ALA 12 22.223 -13.589 1.086
83 1HB ALA 12 HB1 ALA 12 24.081 -11.431 1.777
84 2HB ALA 12 HB2 ALA 12 22.641 -10.901 0.907
85 3HB ALA 12 HB3 ALA 12 23.691 -12.135 0.207
86 H SER 13 HN SER 13 24.554 -14.233 1.639
87 HA SER 13 HA SER 13 24.611 -15.417 4.180
88 1HB SER 13 HB2 SER 13 27.201 -15.037 2.818
89 2HB SER 13 HB1 SER 13 26.408 -16.524 3.345
90 HG SER 13 HG SER 13 26.639 -15.841 0.917
91 HA PRO 14 HA PRO 14 25.699 -12.244 6.958
92 1HB PRO 14 HB2 PRO 14 27.529 -13.693 8.517
93 2HB PRO 14 HB1 PRO 14 25.785 -13.586 8.771
94 1HG PRO 14 HG2 PRO 14 27.384 -15.706 7.431
95 2HG PRO 14 HG1 PRO 14 25.917 -15.853 8.416
96 1HD PRO 14 HD2 PRO 14 25.835 -16.090 5.755
97 2HD PRO 14 HD1 PRO 14 24.525 -15.284 6.644
98 H GLU 15 HN GLU 15 28.553 -14.145 5.908
99 HA GLU 15 HA GLU 15 30.331 -11.978 6.558
100 1HB GLU 15 HB2 GLU 15 31.470 -13.968 4.771
101 2HB GLU 15 HB1 GLU 15 31.957 -13.510 6.396
102 1HG GLU 15 HG2 GLU 15 31.409 -15.701 6.717
103 2HG GLU 15 HG1 GLU 15 29.866 -14.929 7.085
104 H GLU 16 HN GLU 16 28.627 -13.045 3.750
105 HA GLU 16 HA GLU 16 30.160 -11.523 1.865
106 1HB GLU 16 HB2 GLU 16 27.414 -12.783 1.675
107 2HB GLU 16 HB1 GLU 16 28.242 -12.007 0.329
108 1HG GLU 16 HG2 GLU 16 30.125 -13.651 0.716
109 2HG GLU 16 HG1 GLU 16 29.027 -14.510 1.795
110 H LEU 17 HN LEU 17 27.100 -11.128 3.598
111 HA LEU 17 HA LEU 17 26.498 -8.530 2.707
112 1HB LEU 17 HB2 LEU 17 25.340 -10.331 4.437
113 2HB LEU 17 HB1 LEU 17 25.885 -9.068 5.526
114 HG LEU 17 HG LEU 17 24.505 -7.992 3.203
115 1HD1 LEU 17 HD11 LEU 17 22.248 -8.738 4.204
116 2HD1 LEU 17 HD12 LEU 17 23.171 -10.081 4.881
117 3HD1 LEU 17 HD13 LEU 17 23.112 -9.843 3.133
118 1HD2 LEU 17 HD21 LEU 17 24.623 -7.647 6.130
119 2HD2 LEU 17 HD22 LEU 17 23.107 -7.190 5.351
120 3HD2 LEU 17 HD23 LEU 17 24.622 -6.443 4.842
121 H ASN 18 HN ASN 18 28.428 -9.727 5.418
122 HA ASN 18 HA ASN 18 29.160 -7.242 6.497
123 1HB ASN 18 HB2 ASN 18 29.709 -8.910 7.964
124 2HB ASN 18 HB1 ASN 18 30.163 -10.032 6.686
125 1HD2 ASN 18 HD21 ASN 18 31.234 -7.201 8.486
126 2HD2 ASN 18 HD22 ASN 18 32.925 -7.489 8.279
127 H ARG 19 HN ARG 19 30.588 -9.187 3.921
128 HA ARG 19 HA ARG 19 32.931 -7.709 3.532
129 1HB ARG 19 HB2 ARG 19 31.285 -9.548 1.907
130 2HB ARG 19 HB1 ARG 19 32.340 -8.474 1.002
131 1HG ARG 19 HG2 ARG 19 33.642 -9.780 3.267
132 2HG ARG 19 HG1 ARG 19 33.060 -10.893 2.028
133 1HD ARG 19 HD2 ARG 19 34.201 -9.104 0.432
134 2HD ARG 19 HD1 ARG 19 35.164 -8.799 1.878
135 HE ARG 19 HE ARG 19 35.081 -11.279 0.310
136 1HH1 ARG 19 HH11 ARG 19 36.404 -9.459 3.001
137 2HH1 ARG 19 HH12 ARG 19 37.748 -10.529 3.233
138 1HH2 ARG 19 HH21 ARG 19 36.847 -12.695 0.625
139 2HH2 ARG 19 HH22 ARG 19 37.985 -12.380 1.909
140 H TYR 20 HN TYR 20 29.847 -7.420 1.765
141 HA TYR 20 HA TYR 20 30.566 -5.058 0.387
142 1HB TYR 20 HB2 TYR 20 28.731 -5.675 -0.734
143 2HB TYR 20 HB1 TYR 20 28.334 -6.840 0.517
144 HD1 TYR 20 HD1 TYR 20 26.868 -6.073 2.453
145 HD2 TYR 20 HD2 TYR 20 27.431 -3.759 -1.070
146 HE1 TYR 20 HE1 TYR 20 24.818 -4.809 2.961
147 HE2 TYR 20 HE2 TYR 20 25.384 -2.490 -0.576
148 HH TYR 20 HH TYR 20 24.065 -2.035 1.924
149 H TYR 21 HN TYR 21 29.145 -5.682 3.478
150 HA TYR 21 HA TYR 21 28.131 -3.207 4.207
151 1HB TYR 21 HB2 TYR 21 28.348 -5.605 5.410
152 2HB TYR 21 HB1 TYR 21 29.623 -4.745 6.257
153 HD1 TYR 21 HD1 TYR 21 29.123 -3.360 8.040
154 HD2 TYR 21 HD2 TYR 21 26.008 -4.572 5.420
155 HE1 TYR 21 HE1 TYR 21 27.474 -2.404 9.577
156 HE2 TYR 21 HE2 TYR 21 24.339 -3.618 6.946
157 HH TYR 21 HH TYR 21 24.425 -3.137 9.705
158 H ALA 22 HN ALA 22 31.299 -4.488 5.196
159 HA ALA 22 HA ALA 22 32.155 -1.987 6.213
160 1HB ALA 22 HB1 ALA 22 33.635 -4.539 5.631
161 2HB ALA 22 HB2 ALA 22 33.022 -3.968 7.185
162 3HB ALA 22 HB3 ALA 22 34.371 -3.136 6.409
163 H SER 23 HN SER 23 32.482 -3.561 3.111
164 HA SER 23 HA SER 23 34.550 -1.952 2.077
165 1HB SER 23 HB2 SER 23 32.296 -3.400 0.672
166 2HB SER 23 HB1 SER 23 33.651 -2.638 -0.164
167 HG SER 23 HG SER 23 33.634 -4.891 1.535
168 H LEU 24 HN LEU 24 31.039 -1.514 2.144
169 HA LEU 24 HA LEU 24 31.155 0.896 0.576
170 1HB LEU 24 HB2 LEU 24 29.119 0.079 0.108
171 2HB LEU 24 HB1 LEU 24 29.119 -0.957 1.519
172 HG LEU 24 HG LEU 24 28.680 1.757 2.340
173 1HD1 LEU 24 HD11 LEU 24 27.796 1.555 -0.186
174 2HD1 LEU 24 HD12 LEU 24 26.999 2.535 1.046
175 3HD1 LEU 24 HD13 LEU 24 26.392 0.921 0.674
176 1HD2 LEU 24 HD21 LEU 24 26.417 -0.069 2.443
177 2HD2 LEU 24 HD22 LEU 24 27.303 0.714 3.752
178 3HD2 LEU 24 HD23 LEU 24 27.910 -0.789 3.053
179 H ARG 25 HN ARG 25 31.100 -0.080 3.903
180 HA ARG 25 HA ARG 25 30.393 2.395 5.050
181 1HB ARG 25 HB2 ARG 25 31.304 -0.166 5.978
182 2HB ARG 25 HB1 ARG 25 32.205 1.107 6.791
183 1HG ARG 25 HG2 ARG 25 30.356 0.735 8.167
184 2HG ARG 25 HG1 ARG 25 29.931 2.181 7.248
185 1HD ARG 25 HD2 ARG 25 29.117 -0.162 5.810
186 2HD ARG 25 HD1 ARG 25 28.485 -0.222 7.455
187 HE ARG 25 HE ARG 25 28.005 1.999 5.562
188 1HH1 ARG 25 HH11 ARG 25 27.086 0.087 8.341
189 2HH1 ARG 25 HH12 ARG 25 25.465 0.717 8.412
190 1HH2 ARG 25 HH21 ARG 25 25.867 2.858 5.646
191 2HH2 ARG 25 HH22 ARG 25 24.766 2.289 6.873
192 H HIS 26 HN HIS 26 33.616 0.915 4.557
193 HA HIS 26 HA HIS 26 34.967 3.326 5.267
194 1HB HIS 26 HB2 HIS 26 35.771 0.727 4.977
195 2HB HIS 26 HB1 HIS 26 36.460 1.481 3.540
196 HD1 HIS 26 HD1 HIS 26 38.130 0.430 6.061
197 HD2 HIS 26 HD2 HIS 26 37.085 4.379 5.242
198 HE1 HIS 26 HE1 HIS 26 39.784 1.853 7.316
199 HE2 HIS 26 HE2 HIS 26 39.054 4.232 6.912
200 H TYR 27 HN TYR 27 33.782 1.964 2.266
201 HA TYR 27 HA TYR 27 34.966 3.687 0.416
202 1HB TYR 27 HB2 TYR 27 33.163 1.683 0.245
203 2HB TYR 27 HB1 TYR 27 32.090 3.061 0.055
204 HD1 TYR 27 HD1 TYR 27 35.505 2.225 -1.223
205 HD2 TYR 27 HD2 TYR 27 31.528 3.405 -2.130
206 HE1 TYR 27 HE1 TYR 27 36.086 2.333 -3.608
207 HE2 TYR 27 HE2 TYR 27 32.090 3.519 -4.514
208 HH TYR 27 HH TYR 27 35.404 2.797 -5.643
209 H LEU 28 HN LEU 28 31.740 3.964 1.893
210 HA LEU 28 HA LEU 28 31.420 6.658 0.958
211 1HB LEU 28 HB2 LEU 28 29.814 4.725 2.501
212 2HB LEU 28 HB1 LEU 28 29.471 6.414 2.817
213 HG LEU 28 HG LEU 28 27.949 5.649 1.129
214 1HD1 LEU 28 HD11 LEU 28 30.142 7.320 -0.087
215 2HD1 LEU 28 HD12 LEU 28 28.756 7.908 0.829
216 3HD1 LEU 28 HD13 LEU 28 28.514 7.146 -0.743
217 1HD2 LEU 28 HD21 LEU 28 30.231 4.151 0.228
218 2HD2 LEU 28 HD22 LEU 28 29.553 5.083 -1.105
219 3HD2 LEU 28 HD23 LEU 28 28.529 3.965 -0.204
220 H ASN 29 HN ASN 29 33.063 5.388 3.606
221 HA ASN 29 HA ASN 29 32.789 7.734 5.268
222 1HB ASN 29 HB2 ASN 29 33.205 5.805 6.532
223 2HB ASN 29 HB1 ASN 29 34.431 5.220 5.415
224 1HD2 ASN 29 HD21 ASN 29 33.739 7.441 8.014
225 2HD2 ASN 29 HD22 ASN 29 35.390 7.762 8.433
226 H LEU 30 HN LEU 30 35.450 6.265 3.392
227 HA LEU 30 HA LEU 30 37.284 8.317 4.032
228 1HB LEU 30 HB2 LEU 30 38.591 6.639 3.394
229 2HB LEU 30 HB1 LEU 30 37.272 5.843 2.561
230 HG LEU 30 HG LEU 30 38.015 7.912 0.845
231 1HD1 LEU 30 HD11 LEU 30 40.470 7.384 0.556
232 2HD1 LEU 30 HD12 LEU 30 40.412 6.675 2.170
233 3HD1 LEU 30 HD13 LEU 30 40.048 8.386 1.947
234 1HD2 LEU 30 HD21 LEU 30 37.939 5.033 0.923
235 2HD2 LEU 30 HD22 LEU 30 39.312 5.604 -0.027
236 3HD2 LEU 30 HD23 LEU 30 37.678 6.128 -0.436
237 H VAL 31 HN VAL 31 35.169 7.833 1.234
238 HA VAL 31 HA VAL 31 36.460 9.845 -0.334
239 HB VAL 31 HB VAL 31 34.678 9.572 -1.940
240 1HG1 VAL 31 HG11 VAL 31 34.742 6.811 -1.611
241 2HG1 VAL 31 HG12 VAL 31 36.228 7.398 -0.865
242 3HG1 VAL 31 HG13 VAL 31 35.864 7.804 -2.543
243 1HG2 VAL 31 HG21 VAL 31 33.042 9.077 0.219
244 2HG2 VAL 31 HG22 VAL 31 33.184 7.495 -0.548
245 3HG2 VAL 31 HG23 VAL 31 32.607 8.876 -1.480
246 H THR 32 HN THR 32 33.886 9.896 1.998
247 HA THR 32 HA THR 32 33.089 12.579 1.188
248 HB THR 32 HB THR 32 31.978 11.287 3.633
249 HG1 THR 32 HG1 THR 32 31.339 9.587 2.539
250 1HG2 THR 32 HG21 THR 32 30.121 12.298 1.660
251 2HG2 THR 32 HG22 THR 32 31.355 13.500 2.038
252 3HG2 THR 32 HG23 THR 32 30.367 12.812 3.328
253 H ARG 33 HN ARG 33 35.076 10.987 3.501
254 HA ARG 33 HA ARG 33 35.258 13.265 5.271
255 1HB ARG 33 HB2 ARG 33 36.549 10.561 5.157
256 2HB ARG 33 HB1 ARG 33 37.231 11.812 6.183
257 1HG ARG 33 HG2 ARG 33 34.403 11.648 6.601
258 2HG ARG 33 HG1 ARG 33 35.138 10.055 6.779
259 1HD ARG 33 HD2 ARG 33 35.181 11.086 8.920
260 2HD ARG 33 HD1 ARG 33 36.830 11.120 8.299
261 HE ARG 33 HE ARG 33 36.752 13.401 8.268
262 1HH1 ARG 33 HH11 ARG 33 33.502 12.131 8.645
263 2HH1 ARG 33 HH12 ARG 33 32.786 13.692 8.912
264 1HH2 ARG 33 HH21 ARG 33 35.817 15.452 8.636
265 2HH2 ARG 33 HH22 ARG 33 34.107 15.586 8.925
266 H GLN 34 HN GLN 34 36.760 12.192 2.398
267 HA GLN 34 HA GLN 34 38.637 12.747 1.248
268 1HB GLN 34 HB2 GLN 34 37.700 15.193 2.429
269 2HB GLN 34 HB1 GLN 34 39.457 15.195 2.437
270 1HG GLN 34 HG2 GLN 34 38.991 16.161 0.413
271 2HG GLN 34 HG1 GLN 34 39.220 14.474 -0.040
272 1HE2 GLN 34 HE21 GLN 34 36.378 14.713 1.622
273 2HE2 GLN 34 HE22 GLN 34 35.281 14.859 0.290
274 H ARG 35 HN ARG 35 39.176 10.932 2.925
275 HA ARG 35 HA ARG 35 40.828 11.625 5.138
276 1HB ARG 35 HB2 ARG 35 39.493 9.659 5.304
277 2HB ARG 35 HB1 ARG 35 40.159 9.002 3.816
278 1HG ARG 35 HG2 ARG 35 41.969 8.166 4.848
279 2HG ARG 35 HG1 ARG 35 42.130 9.558 5.921
280 1HD ARG 35 HD2 ARG 35 39.821 8.416 6.816
281 2HD ARG 35 HD1 ARG 35 40.764 7.003 6.337
282 HE ARG 35 HE ARG 35 41.640 9.040 8.289
283 1HH1 ARG 35 HH11 ARG 35 41.715 5.780 7.000
284 2HH1 ARG 35 HH12 ARG 35 42.749 5.168 8.263
285 1HH2 ARG 35 HH21 ARG 35 43.002 8.246 9.936
286 2HH2 ARG 35 HH22 ARG 35 43.465 6.573 9.948
287 H TYR 36 HN TYR 36 42.571 12.768 4.401
288 HA TYR 36 HA TYR 36 44.907 11.311 4.061
289 1HB TYR 36 HB2 TYR 36 43.629 12.013 1.526
290 2HB TYR 36 HB1 TYR 36 45.250 12.684 1.664
291 HD1 TYR 36 HD1 TYR 36 46.346 10.404 3.427
292 HD2 TYR 36 HD2 TYR 36 44.126 10.427 -0.199
293 HE1 TYR 36 HE1 TYR 36 47.281 8.206 2.848
294 HE2 TYR 36 HE2 TYR 36 45.057 8.228 -0.789
295 HH TYR 36 HH TYR 36 47.468 6.954 0.034
296 1HN NH2 37 H1 NH2 37 46.347 14.802 3.617
297 2HN NH2 37 H2 NH2 37 46.340 13.424 2.574
Start of MODEL 8
1 1H TYR 1 HT1 TYR 1 32.773 4.108 -9.991
2 2H TYR 1 HT2 TYR 1 31.263 4.874 -10.014
3 3H TYR 1 HT3 TYR 1 32.101 4.601 -11.465
4 HA TYR 1 HA TYR 1 30.328 3.045 -11.261
5 1HB TYR 1 HB2 TYR 1 33.145 2.066 -11.093
6 2HB TYR 1 HB1 TYR 1 31.840 0.885 -11.071
7 HD1 TYR 1 HD1 TYR 1 29.906 1.968 -12.944
8 HD2 TYR 1 HD2 TYR 1 34.151 1.939 -13.165
9 HE1 TYR 1 HE1 TYR 1 29.771 2.084 -15.397
10 HE2 TYR 1 HE2 TYR 1 34.029 2.056 -15.617
11 HH TYR 1 HH TYR 1 32.564 1.657 -17.416
12 HA PRO 2 HA PRO 2 30.605 0.954 -6.991
13 1HB PRO 2 HB2 PRO 2 32.617 1.523 -5.288
14 2HB PRO 2 HB1 PRO 2 32.755 0.260 -6.516
15 1HG PRO 2 HG2 PRO 2 33.842 3.041 -6.522
16 2HG PRO 2 HG1 PRO 2 34.590 1.541 -7.102
17 1HD PRO 2 HD2 PRO 2 33.380 3.399 -8.731
18 2HD PRO 2 HD1 PRO 2 33.568 1.687 -9.143
19 H ILE 3 HN ILE 3 29.049 1.885 -5.808
20 HA ILE 3 HA ILE 3 29.563 4.532 -4.651
21 HB ILE 3 HB ILE 3 26.930 4.759 -4.954
22 1HG1 ILE 3 HG12 ILE 3 27.779 3.084 -7.334
23 2HG1 ILE 3 HG11 ILE 3 26.668 2.576 -6.063
24 1HG2 ILE 3 HG21 ILE 3 28.167 6.512 -5.760
25 2HG2 ILE 3 HG22 ILE 3 27.564 5.837 -7.273
26 3HG2 ILE 3 HG23 ILE 3 29.204 5.473 -6.739
27 1HD1 ILE 3 HD11 ILE 3 25.035 4.147 -6.761
28 2HD1 ILE 3 HD12 ILE 3 25.598 3.298 -8.200
29 3HD1 ILE 3 HD13 ILE 3 26.171 4.931 -7.858
30 H LYS 4 HN LYS 4 26.420 3.499 -4.145
31 HA LYS 4 HA LYS 4 27.154 2.498 -1.478
32 1HB LYS 4 HB2 LYS 4 26.316 4.693 -1.167
33 2HB LYS 4 HB1 LYS 4 25.022 4.443 -2.330
34 1HG LYS 4 HG2 LYS 4 24.638 2.524 -0.319
35 2HG LYS 4 HG1 LYS 4 25.022 4.039 0.501
36 1HD LYS 4 HD2 LYS 4 22.803 4.410 0.249
37 2HD LYS 4 HD1 LYS 4 23.301 4.946 -1.358
38 1HE LYS 4 HE2 LYS 4 22.981 2.126 -1.434
39 2HE LYS 4 HE1 LYS 4 21.561 2.813 -0.648
40 1HZ LYS 4 HZ1 LYS 4 21.198 2.700 -2.998
41 2HZ LYS 4 HZ2 LYS 4 22.631 3.551 -3.321
42 3HZ LYS 4 HZ3 LYS 4 21.335 4.328 -2.551
43 HA PRO 5 HA PRO 5 24.424 -0.860 -2.744
44 1HB PRO 5 HB2 PRO 5 25.556 -2.482 -0.714
45 2HB PRO 5 HB1 PRO 5 25.966 -2.485 -2.430
46 1HG PRO 5 HG2 PRO 5 27.657 -1.695 -0.363
47 2HG PRO 5 HG1 PRO 5 27.872 -1.309 -2.078
48 1HD PRO 5 HD2 PRO 5 26.725 0.367 0.116
49 2HD PRO 5 HD1 PRO 5 27.744 0.847 -1.260
50 H GLU 6 HN GLU 6 22.363 -0.865 -2.047
51 HA GLU 6 HA GLU 6 21.768 -0.330 0.743
52 1HB GLU 6 HB2 GLU 6 19.344 -0.650 -0.143
53 2HB GLU 6 HB1 GLU 6 20.249 0.789 -0.583
54 1HG GLU 6 HG2 GLU 6 20.411 -1.546 -2.405
55 2HG GLU 6 HG1 GLU 6 18.900 -0.636 -2.359
56 H ALA 7 HN ALA 7 21.952 -3.073 -1.371
57 HA ALA 7 HA ALA 7 21.491 -4.856 0.846
58 1HB ALA 7 HB1 ALA 7 19.614 -6.030 -0.002
59 2HB ALA 7 HB2 ALA 7 19.631 -5.109 -1.507
60 3HB ALA 7 HB3 ALA 7 19.192 -4.319 0.008
61 HA PRO 8 HA PRO 8 24.107 -7.285 -1.782
62 1HB PRO 8 HB2 PRO 8 24.367 -9.423 -0.158
63 2HB PRO 8 HB1 PRO 8 25.105 -7.862 0.205
64 1HG PRO 8 HG2 PRO 8 22.800 -9.181 1.471
65 2HG PRO 8 HG1 PRO 8 23.865 -7.919 2.108
66 1HD PRO 8 HD2 PRO 8 21.250 -7.632 0.966
67 2HD PRO 8 HD1 PRO 8 22.308 -6.368 1.618
68 H GLY 9 HN GLY 9 20.947 -8.350 -0.823
69 1HA GLY 9 HA2 GLY 9 20.062 -9.509 -3.052
70 2HA GLY 9 HA1 GLY 9 21.065 -10.790 -2.378
71 H GLU 10 HN GLU 10 19.610 -12.247 -1.658
72 HA GLU 10 HA GLU 10 17.489 -11.259 0.109
73 1HB GLU 10 HB2 GLU 10 17.768 -13.718 -1.578
74 2HB GLU 10 HB1 GLU 10 16.718 -13.748 -0.167
75 1HG GLU 10 HG2 GLU 10 16.127 -11.395 -1.627
76 2HG GLU 10 HG1 GLU 10 16.177 -12.743 -2.761
77 H ASP 11 HN ASP 11 18.846 -14.502 0.069
78 HA ASP 11 HA ASP 11 19.225 -14.459 2.918
79 1HB ASP 11 HB2 ASP 11 18.435 -16.449 1.604
80 2HB ASP 11 HB1 ASP 11 20.057 -16.580 0.934
81 H ALA 12 HN ALA 12 20.732 -12.566 2.592
82 HA ALA 12 HA ALA 12 23.501 -13.515 2.227
83 1HB ALA 12 HB1 ALA 12 22.087 -11.465 0.791
84 2HB ALA 12 HB2 ALA 12 23.711 -12.100 0.525
85 3HB ALA 12 HB3 ALA 12 23.458 -10.774 1.666
86 H SER 13 HN SER 13 22.219 -13.516 4.678
87 HA SER 13 HA SER 13 22.316 -11.175 6.163
88 1HB SER 13 HB2 SER 13 22.939 -13.457 7.807
89 2HB SER 13 HB1 SER 13 21.446 -12.519 7.713
90 HG SER 13 HG SER 13 20.718 -14.358 6.925
91 HA PRO 14 HA PRO 14 26.674 -12.071 7.634
92 1HB PRO 14 HB2 PRO 14 27.954 -14.372 6.675
93 2HB PRO 14 HB1 PRO 14 27.100 -14.214 8.209
94 1HG PRO 14 HG2 PRO 14 26.344 -15.818 6.019
95 2HG PRO 14 HG1 PRO 14 25.369 -15.448 7.451
96 1HD PRO 14 HD2 PRO 14 25.302 -14.220 4.739
97 2HD PRO 14 HD1 PRO 14 23.980 -14.486 5.898
98 H GLU 15 HN GLU 15 27.948 -13.950 4.965
99 HA GLU 15 HA GLU 15 30.100 -12.169 4.793
100 1HB GLU 15 HB2 GLU 15 29.517 -14.728 3.867
101 2HB GLU 15 HB1 GLU 15 29.839 -13.790 2.415
102 1HG GLU 15 HG2 GLU 15 31.668 -13.951 4.800
103 2HG GLU 15 HG1 GLU 15 31.844 -14.889 3.317
104 H GLU 16 HN GLU 16 27.307 -12.532 2.657
105 HA GLU 16 HA GLU 16 28.288 -10.735 0.698
106 1HB GLU 16 HB2 GLU 16 25.557 -11.834 1.305
107 2HB GLU 16 HB1 GLU 16 25.808 -10.643 0.035
108 1HG GLU 16 HG2 GLU 16 26.089 -12.417 -1.276
109 2HG GLU 16 HG1 GLU 16 27.712 -12.470 -0.587
110 H LEU 17 HN LEU 17 26.274 -10.349 3.590
111 HA LEU 17 HA LEU 17 25.666 -7.603 3.040
112 1HB LEU 17 HB2 LEU 17 24.542 -9.341 4.700
113 2HB LEU 17 HB1 LEU 17 25.710 -8.662 5.828
114 HG LEU 17 HG LEU 17 24.373 -6.521 4.487
115 1HD1 LEU 17 HD11 LEU 17 22.317 -7.871 6.066
116 2HD1 LEU 17 HD12 LEU 17 22.701 -8.679 4.545
117 3HD1 LEU 17 HD13 LEU 17 22.187 -6.992 4.543
118 1HD2 LEU 17 HD21 LEU 17 25.394 -7.109 6.973
119 2HD2 LEU 17 HD22 LEU 17 23.657 -7.008 7.262
120 3HD2 LEU 17 HD23 LEU 17 24.509 -5.649 6.530
121 H ASN 18 HN ASN 18 28.018 -9.350 5.002
122 HA ASN 18 HA ASN 18 29.453 -7.190 6.044
123 1HB ASN 18 HB2 ASN 18 29.959 -9.349 6.891
124 2HB ASN 18 HB1 ASN 18 30.260 -9.994 5.282
125 1HD2 ASN 18 HD21 ASN 18 32.314 -10.370 4.882
126 2HD2 ASN 18 HD22 ASN 18 33.648 -9.477 5.540
127 H ARG 19 HN ARG 19 29.643 -8.835 2.937
128 HA ARG 19 HA ARG 19 31.929 -7.624 1.905
129 1HB ARG 19 HB2 ARG 19 29.596 -9.022 0.823
130 2HB ARG 19 HB1 ARG 19 30.280 -7.843 -0.285
131 1HG ARG 19 HG2 ARG 19 31.117 -10.425 0.001
132 2HG ARG 19 HG1 ARG 19 32.046 -9.120 -0.735
133 1HD ARG 19 HD2 ARG 19 32.846 -8.656 1.688
134 2HD ARG 19 HD1 ARG 19 32.281 -10.295 2.013
135 HE ARG 19 HE ARG 19 33.837 -10.624 -0.167
136 1HH1 ARG 19 HH11 ARG 19 34.373 -9.087 2.921
137 2HH1 ARG 19 HH12 ARG 19 36.083 -9.384 2.928
138 1HH2 ARG 19 HH21 ARG 19 36.056 -11.026 -0.191
139 2HH2 ARG 19 HH22 ARG 19 37.053 -10.511 1.142
140 H TYR 20 HN TYR 20 28.549 -6.610 1.221
141 HA TYR 20 HA TYR 20 29.376 -4.155 0.086
142 1HB TYR 20 HB2 TYR 20 27.162 -3.717 -0.304
143 2HB TYR 20 HB1 TYR 20 27.070 -5.451 -0.065
144 HD1 TYR 20 HD1 TYR 20 26.833 -2.329 2.046
145 HD2 TYR 20 HD2 TYR 20 25.308 -6.200 1.171
146 HE1 TYR 20 HE1 TYR 20 25.060 -2.004 3.721
147 HE2 TYR 20 HE2 TYR 20 23.535 -5.879 2.837
148 HH TYR 20 HH TYR 20 22.674 -2.975 4.083
149 H TYR 21 HN TYR 21 28.716 -5.157 3.319
150 HA TYR 21 HA TYR 21 28.267 -2.734 4.595
151 1HB TYR 21 HB2 TYR 21 28.391 -5.303 5.396
152 2HB TYR 21 HB1 TYR 21 29.933 -4.720 6.019
153 HD1 TYR 21 HD1 TYR 21 30.030 -3.443 7.968
154 HD2 TYR 21 HD2 TYR 21 26.296 -4.081 6.050
155 HE1 TYR 21 HE1 TYR 21 28.890 -2.453 9.891
156 HE2 TYR 21 HE2 TYR 21 25.128 -3.096 7.957
157 HH TYR 21 HH TYR 21 26.218 -2.816 10.832
158 H ALA 22 HN ALA 22 31.340 -4.518 4.508
159 HA ALA 22 HA ALA 22 32.773 -2.329 5.616
160 1HB ALA 22 HB1 ALA 22 33.703 -4.900 4.363
161 2HB ALA 22 HB2 ALA 22 33.531 -4.532 6.081
162 3HB ALA 22 HB3 ALA 22 34.778 -3.728 5.125
163 H SER 23 HN SER 23 32.050 -3.351 2.352
164 HA SER 23 HA SER 23 33.987 -1.733 1.056
165 1HB SER 23 HB2 SER 23 31.272 -2.621 0.040
166 2HB SER 23 HB1 SER 23 32.596 -2.003 -0.951
167 HG SER 23 HG SER 23 32.388 -4.457 0.423
168 H LEU 24 HN LEU 24 30.718 -1.102 2.237
169 HA LEU 24 HA LEU 24 30.656 1.542 1.083
170 1HB LEU 24 HB2 LEU 24 28.456 1.282 1.226
171 2HB LEU 24 HB1 LEU 24 28.727 -0.317 1.885
172 HG LEU 24 HG LEU 24 28.967 1.540 4.027
173 1HD1 LEU 24 HD11 LEU 24 26.698 2.511 3.989
174 2HD1 LEU 24 HD12 LEU 24 26.504 1.935 2.333
175 3HD1 LEU 24 HD13 LEU 24 27.734 3.142 2.707
176 1HD2 LEU 24 HD21 LEU 24 27.556 0.090 5.067
177 2HD2 LEU 24 HD22 LEU 24 28.074 -0.936 3.730
178 3HD2 LEU 24 HD23 LEU 24 26.523 -0.099 3.647
179 H ARG 25 HN ARG 25 31.422 0.040 4.118
180 HA ARG 25 HA ARG 25 31.379 2.455 5.642
181 1HB ARG 25 HB2 ARG 25 32.134 -0.328 6.080
182 2HB ARG 25 HB1 ARG 25 33.237 0.789 6.869
183 1HG ARG 25 HG2 ARG 25 31.313 -0.022 8.262
184 2HG ARG 25 HG1 ARG 25 31.492 1.731 8.167
185 1HD ARG 25 HD2 ARG 25 29.618 1.985 6.863
186 2HD ARG 25 HD1 ARG 25 29.728 0.355 6.205
187 HE ARG 25 HE ARG 25 28.952 -0.414 8.442
188 1HH1 ARG 25 HH11 ARG 25 28.273 2.846 7.386
189 2HH1 ARG 25 HH12 ARG 25 26.850 3.017 8.366
190 1HH2 ARG 25 HH21 ARG 25 27.034 -0.225 9.703
191 2HH2 ARG 25 HH22 ARG 25 26.136 1.267 9.674
192 H HIS 26 HN HIS 26 33.891 0.617 3.957
193 HA HIS 26 HA HIS 26 36.010 2.431 4.396
194 1HB HIS 26 HB2 HIS 26 36.082 0.011 3.508
195 2HB HIS 26 HB1 HIS 26 35.689 0.707 1.942
196 HD1 HIS 26 HD1 HIS 26 38.440 0.616 4.517
197 HD2 HIS 26 HD2 HIS 26 37.796 1.872 0.608
198 HE1 HIS 26 HE1 HIS 26 40.714 1.161 3.599
199 HE2 HIS 26 HE2 HIS 26 40.311 1.607 1.156
200 H TYR 27 HN TYR 27 33.577 2.115 1.848
201 HA TYR 27 HA TYR 27 34.474 4.195 0.188
202 1HB TYR 27 HB2 TYR 27 32.844 2.618 -0.639
203 2HB TYR 27 HB1 TYR 27 31.714 3.034 0.642
204 HD1 TYR 27 HD1 TYR 27 33.160 4.114 -2.563
205 HD2 TYR 27 HD2 TYR 27 30.323 5.005 0.482
206 HE1 TYR 27 HE1 TYR 27 32.089 5.758 -4.048
207 HE2 TYR 27 HE2 TYR 27 29.245 6.654 -0.989
208 HH TYR 27 HH TYR 27 29.633 7.954 -2.903
209 H LEU 28 HN LEU 28 31.900 4.188 2.653
210 HA LEU 28 HA LEU 28 31.180 6.860 2.460
211 1HB LEU 28 HB2 LEU 28 30.697 4.692 4.256
212 2HB LEU 28 HB1 LEU 28 30.988 6.145 5.189
213 HG LEU 28 HG LEU 28 28.600 5.780 4.750
214 1HD1 LEU 28 HD11 LEU 28 29.432 8.181 3.170
215 2HD1 LEU 28 HD12 LEU 28 29.724 8.085 4.905
216 3HD1 LEU 28 HD13 LEU 28 28.077 7.995 4.283
217 1HD2 LEU 28 HD21 LEU 28 29.313 4.876 2.323
218 2HD2 LEU 28 HD22 LEU 28 28.848 6.524 1.905
219 3HD2 LEU 28 HD23 LEU 28 27.693 5.459 2.704
220 H ASN 29 HN ASN 29 33.662 5.421 4.557
221 HA ASN 29 HA ASN 29 34.254 7.843 5.909
222 1HB ASN 29 HB2 ASN 29 34.800 5.757 6.960
223 2HB ASN 29 HB1 ASN 29 35.825 5.278 5.610
224 1HD2 ASN 29 HD21 ASN 29 35.472 7.815 8.065
225 2HD2 ASN 29 HD22 ASN 29 37.172 8.043 8.301
226 H LEU 30 HN LEU 30 35.938 6.147 3.259
227 HA LEU 30 HA LEU 30 38.031 8.078 3.165
228 1HB LEU 30 HB2 LEU 30 37.285 5.674 1.591
229 2HB LEU 30 HB1 LEU 30 38.402 6.816 0.868
230 HG LEU 30 HG LEU 30 38.787 5.021 3.222
231 1HD1 LEU 30 HD11 LEU 30 40.898 5.833 1.294
232 2HD1 LEU 30 HD12 LEU 30 39.603 4.777 0.730
233 3HD1 LEU 30 HD13 LEU 30 40.620 4.280 2.082
234 1HD2 LEU 30 HD21 LEU 30 40.914 6.959 3.039
235 2HD2 LEU 30 HD22 LEU 30 39.977 6.453 4.444
236 3HD2 LEU 30 HD23 LEU 30 39.381 7.750 3.409
237 H VAL 31 HN VAL 31 34.982 7.733 1.487
238 HA VAL 31 HA VAL 31 35.680 9.542 -0.626
239 HB VAL 31 HB VAL 31 33.100 8.294 0.267
240 1HG1 VAL 31 HG11 VAL 31 31.767 9.576 -1.071
241 2HG1 VAL 31 HG12 VAL 31 33.092 10.036 -2.140
242 3HG1 VAL 31 HG13 VAL 31 32.929 10.800 -0.559
243 1HG2 VAL 31 HG21 VAL 31 33.996 8.215 -2.530
244 2HG2 VAL 31 HG22 VAL 31 33.379 6.929 -1.495
245 3HG2 VAL 31 HG23 VAL 31 35.065 7.428 -1.370
246 H THR 32 HN THR 32 33.717 9.823 2.334
247 HA THR 32 HA THR 32 33.154 12.575 2.016
248 HB THR 32 HB THR 32 33.336 11.174 4.677
249 HG1 THR 32 HG1 THR 32 32.006 9.787 3.725
250 1HG2 THR 32 HG21 THR 32 31.184 13.071 3.852
251 2HG2 THR 32 HG22 THR 32 32.770 13.718 4.269
252 3HG2 THR 32 HG23 THR 32 31.868 12.769 5.450
253 H ARG 33 HN ARG 33 35.574 10.902 4.047
254 HA ARG 33 HA ARG 33 37.016 13.445 4.293
255 1HB ARG 33 HB2 ARG 33 36.678 11.117 5.996
256 2HB ARG 33 HB1 ARG 33 38.381 11.486 5.754
257 1HG ARG 33 HG2 ARG 33 36.741 13.831 6.352
258 2HG ARG 33 HG1 ARG 33 36.780 12.627 7.641
259 1HD ARG 33 HD2 ARG 33 38.841 13.227 8.210
260 2HD ARG 33 HD1 ARG 33 39.408 12.980 6.560
261 HE ARG 33 HE ARG 33 38.536 15.317 6.153
262 1HH1 ARG 33 HH11 ARG 33 39.625 14.246 9.306
263 2HH1 ARG 33 HH12 ARG 33 40.086 15.835 9.828
264 1HH2 ARG 33 HH21 ARG 33 39.155 17.416 6.832
265 2HH2 ARG 33 HH22 ARG 33 39.833 17.642 8.421
266 H GLN 34 HN GLN 34 37.491 13.152 1.940
267 HA GLN 34 HA GLN 34 39.115 10.956 1.126
268 1HB GLN 34 HB2 GLN 34 37.607 12.176 -0.421
269 2HB GLN 34 HB1 GLN 34 38.674 13.571 -0.317
270 1HG GLN 34 HG2 GLN 34 39.796 12.746 -2.035
271 2HG GLN 34 HG1 GLN 34 40.348 11.452 -0.976
272 1HE2 GLN 34 HE21 GLN 34 37.715 10.271 -0.679
273 2HE2 GLN 34 HE22 GLN 34 37.350 9.502 -2.190
274 H ARG 35 HN ARG 35 40.801 11.001 2.621
275 HA ARG 35 HA ARG 35 42.840 13.062 2.164
276 1HB ARG 35 HB2 ARG 35 43.958 12.159 4.131
277 2HB ARG 35 HB1 ARG 35 42.279 12.523 4.508
278 1HG ARG 35 HG2 ARG 35 41.824 10.051 4.038
279 2HG ARG 35 HG1 ARG 35 43.575 9.847 4.137
280 1HD ARG 35 HD2 ARG 35 42.413 11.402 6.331
281 2HD ARG 35 HD1 ARG 35 41.851 9.732 6.252
282 HE ARG 35 HE ARG 35 44.062 8.990 6.607
283 1HH1 ARG 35 HH11 ARG 35 43.787 12.490 6.694
284 2HH1 ARG 35 HH12 ARG 35 45.304 12.722 7.502
285 1HH2 ARG 35 HH21 ARG 35 46.067 9.289 7.685
286 2HH2 ARG 35 HH22 ARG 35 46.617 10.905 8.042
287 H TYR 36 HN TYR 36 41.884 10.532 0.615
288 HA TYR 36 HA TYR 36 44.274 8.934 0.431
289 1HB TYR 36 HB2 TYR 36 41.712 8.288 0.082
290 2HB TYR 36 HB1 TYR 36 42.077 8.732 -1.580
291 HD1 TYR 36 HD1 TYR 36 41.393 6.290 -1.943
292 HD2 TYR 36 HD2 TYR 36 44.925 7.428 0.138
293 HE1 TYR 36 HE1 TYR 36 42.329 4.049 -2.317
294 HE2 TYR 36 HE2 TYR 36 45.870 5.190 -0.234
295 HH TYR 36 HH TYR 36 44.728 2.762 -0.658
296 1HN NH2 37 H1 NH2 37 43.807 10.989 -3.086
297 2HN NH2 37 H2 NH2 37 42.424 10.346 -2.276
Start of MODEL 9
1 1H TYR 1 HT1 TYR 1 38.856 -1.217 -5.000
2 2H TYR 1 HT2 TYR 1 38.017 0.030 -5.793
3 3H TYR 1 HT3 TYR 1 39.125 -0.927 -6.649
4 HA TYR 1 HA TYR 1 37.338 -2.017 -7.315
5 1HB TYR 1 HB2 TYR 1 38.564 -3.323 -5.274
6 2HB TYR 1 HB1 TYR 1 36.899 -3.302 -4.698
7 HD1 TYR 1 HD1 TYR 1 37.312 -5.856 -4.913
8 HD2 TYR 1 HD2 TYR 1 37.020 -3.229 -8.242
9 HE1 TYR 1 HE1 TYR 1 36.780 -7.768 -6.367
10 HE2 TYR 1 HE2 TYR 1 36.491 -5.129 -9.706
11 HH TYR 1 HH TYR 1 36.501 -7.391 -9.871
12 HA PRO 2 HA PRO 2 33.621 -0.868 -4.385
13 1HB PRO 2 HB2 PRO 2 34.169 1.043 -2.499
14 2HB PRO 2 HB1 PRO 2 34.153 -0.691 -2.162
15 1HG PRO 2 HG2 PRO 2 36.480 1.114 -2.709
16 2HG PRO 2 HG1 PRO 2 36.321 -0.176 -1.500
17 1HD PRO 2 HD2 PRO 2 37.661 -0.550 -3.801
18 2HD PRO 2 HD1 PRO 2 36.717 -1.849 -3.048
19 H ILE 3 HN ILE 3 32.615 0.290 -5.904
20 HA ILE 3 HA ILE 3 33.499 3.063 -6.375
21 HB ILE 3 HB ILE 3 32.918 2.875 -8.691
22 1HG1 ILE 3 HG12 ILE 3 32.132 0.000 -8.176
23 2HG1 ILE 3 HG11 ILE 3 30.978 1.315 -8.372
24 1HG2 ILE 3 HG21 ILE 3 34.391 0.758 -9.241
25 2HG2 ILE 3 HG22 ILE 3 34.698 0.837 -7.505
26 3HG2 ILE 3 HG23 ILE 3 35.089 2.215 -8.537
27 1HD1 ILE 3 HD11 ILE 3 32.457 -0.199 -10.368
28 2HD1 ILE 3 HD12 ILE 3 32.536 1.547 -10.612
29 3HD1 ILE 3 HD13 ILE 3 30.971 0.738 -10.522
30 H LYS 4 HN LYS 4 30.901 0.797 -6.039
31 HA LYS 4 HA LYS 4 29.173 2.672 -4.841
32 1HB LYS 4 HB2 LYS 4 29.031 2.635 -7.690
33 2HB LYS 4 HB1 LYS 4 27.560 1.907 -7.065
34 1HG LYS 4 HG2 LYS 4 26.898 3.847 -5.994
35 2HG LYS 4 HG1 LYS 4 28.535 4.509 -5.969
36 1HD LYS 4 HD2 LYS 4 27.387 3.991 -8.640
37 2HD LYS 4 HD1 LYS 4 26.629 5.288 -7.716
38 1HE LYS 4 HE2 LYS 4 28.306 6.342 -8.960
39 2HE LYS 4 HE1 LYS 4 28.988 6.173 -7.344
40 1HZ LYS 4 HZ1 LYS 4 30.625 4.920 -8.125
41 2HZ LYS 4 HZ2 LYS 4 30.128 5.340 -9.690
42 3HZ LYS 4 HZ3 LYS 4 29.564 3.908 -8.979
43 HA PRO 5 HA PRO 5 28.338 -1.619 -3.777
44 1HB PRO 5 HB2 PRO 5 27.442 -0.613 -1.213
45 2HB PRO 5 HB1 PRO 5 28.881 -1.562 -1.584
46 1HG PRO 5 HG2 PRO 5 28.964 1.042 -0.772
47 2HG PRO 5 HG1 PRO 5 30.212 0.290 -1.783
48 1HD PRO 5 HD2 PRO 5 27.938 2.068 -2.582
49 2HD PRO 5 HD1 PRO 5 29.619 2.052 -3.163
50 H GLU 6 HN GLU 6 26.522 -1.800 -5.181
51 HA GLU 6 HA GLU 6 23.939 -0.882 -4.545
52 1HB GLU 6 HB2 GLU 6 25.115 -2.912 -6.332
53 2HB GLU 6 HB1 GLU 6 23.476 -3.270 -5.804
54 1HG GLU 6 HG2 GLU 6 24.001 -0.530 -6.794
55 2HG GLU 6 HG1 GLU 6 24.025 -1.837 -7.978
56 H ALA 7 HN ALA 7 22.780 -1.340 -2.806
57 HA ALA 7 HA ALA 7 23.793 -3.088 -0.837
58 1HB ALA 7 HB1 ALA 7 21.516 -1.227 -1.067
59 2HB ALA 7 HB2 ALA 7 22.752 -1.370 0.181
60 3HB ALA 7 HB3 ALA 7 21.393 -2.490 0.158
61 HA PRO 8 HA PRO 8 21.350 -6.720 -1.916
62 1HB PRO 8 HB2 PRO 8 22.851 -8.467 -0.536
63 2HB PRO 8 HB1 PRO 8 23.393 -7.823 -2.092
64 1HG PRO 8 HG2 PRO 8 24.229 -7.065 0.668
65 2HG PRO 8 HG1 PRO 8 25.208 -7.211 -0.802
66 1HD PRO 8 HD2 PRO 8 24.235 -4.830 0.242
67 2HD PRO 8 HD1 PRO 8 24.762 -5.069 -1.435
68 H GLY 9 HN GLY 9 19.569 -7.325 -0.795
69 1HA GLY 9 HA2 GLY 9 19.646 -6.987 2.141
70 2HA GLY 9 HA1 GLY 9 18.292 -6.415 1.181
71 H GLU 10 HN GLU 10 18.571 -8.825 -0.585
72 HA GLU 10 HA GLU 10 16.739 -10.442 0.939
73 1HB GLU 10 HB2 GLU 10 17.342 -9.979 -1.828
74 2HB GLU 10 HB1 GLU 10 17.341 -11.708 -1.504
75 1HG GLU 10 HG2 GLU 10 15.102 -11.274 -0.329
76 2HG GLU 10 HG1 GLU 10 15.116 -9.734 -1.192
77 H ASP 11 HN ASP 11 18.633 -10.870 2.476
78 HA ASP 11 HA ASP 11 19.965 -12.400 3.483
79 1HB ASP 11 HB2 ASP 11 18.031 -13.878 2.728
80 2HB ASP 11 HB1 ASP 11 19.076 -14.389 1.405
81 H ALA 12 HN ALA 12 21.858 -11.324 2.894
82 HA ALA 12 HA ALA 12 23.257 -12.279 0.515
83 1HB ALA 12 HB1 ALA 12 23.767 -10.107 0.412
84 2HB ALA 12 HB2 ALA 12 24.918 -10.438 1.706
85 3HB ALA 12 HB3 ALA 12 23.307 -9.830 2.093
86 H SER 13 HN SER 13 22.848 -13.479 3.423
87 HA SER 13 HA SER 13 23.967 -14.827 4.855
88 1HB SER 13 HB2 SER 13 26.354 -14.990 3.056
89 2HB SER 13 HB1 SER 13 25.553 -16.264 3.974
90 HG SER 13 HG SER 13 25.187 -15.525 1.409
91 HA PRO 14 HA PRO 14 26.657 -12.374 7.358
92 1HB PRO 14 HB2 PRO 14 28.461 -14.252 8.289
93 2HB PRO 14 HB1 PRO 14 26.859 -13.963 8.976
94 1HG PRO 14 HG2 PRO 14 27.750 -16.078 7.063
95 2HG PRO 14 HG1 PRO 14 26.618 -16.198 8.423
96 1HD PRO 14 HD2 PRO 14 25.765 -16.066 5.881
97 2HD PRO 14 HD1 PRO 14 24.869 -15.291 7.205
98 H GLU 15 HN GLU 15 27.912 -14.199 4.735
99 HA GLU 15 HA GLU 15 30.590 -13.183 4.855
100 1HB GLU 15 HB2 GLU 15 29.086 -14.553 2.615
101 2HB GLU 15 HB1 GLU 15 30.805 -14.190 2.595
102 1HG GLU 15 HG2 GLU 15 29.405 -16.020 4.528
103 2HG GLU 15 HG1 GLU 15 30.402 -16.515 3.162
104 H GLU 16 HN GLU 16 27.958 -12.664 2.500
105 HA GLU 16 HA GLU 16 29.381 -10.499 1.290
106 1HB GLU 16 HB2 GLU 16 27.048 -12.118 0.653
107 2HB GLU 16 HB1 GLU 16 26.793 -10.416 0.287
108 1HG GLU 16 HG2 GLU 16 27.654 -11.253 -1.685
109 2HG GLU 16 HG1 GLU 16 29.071 -10.557 -0.902
110 H LEU 17 HN LEU 17 26.735 -10.835 3.571
111 HA LEU 17 HA LEU 17 25.830 -8.178 3.512
112 1HB LEU 17 HB2 LEU 17 24.813 -10.162 4.761
113 2HB LEU 17 HB1 LEU 17 25.997 -9.843 6.013
114 HG LEU 17 HG LEU 17 24.721 -7.384 5.489
115 1HD1 LEU 17 HD11 LEU 17 22.879 -9.731 5.443
116 2HD1 LEU 17 HD12 LEU 17 22.819 -8.237 4.505
117 3HD1 LEU 17 HD13 LEU 17 22.368 -8.228 6.210
118 1HD2 LEU 17 HD21 LEU 17 25.556 -7.857 7.631
119 2HD2 LEU 17 HD22 LEU 17 24.667 -9.377 7.733
120 3HD2 LEU 17 HD23 LEU 17 23.801 -7.842 7.821
121 H ASN 18 HN ASN 18 28.320 -9.722 5.516
122 HA ASN 18 HA ASN 18 29.121 -7.275 6.738
123 1HB ASN 18 HB2 ASN 18 30.111 -8.689 8.157
124 2HB ASN 18 HB1 ASN 18 29.639 -10.035 7.131
125 1HD2 ASN 18 HD21 ASN 18 32.206 -8.146 8.317
126 2HD2 ASN 18 HD22 ASN 18 33.483 -8.909 7.434
127 H ARG 19 HN ARG 19 30.149 -9.119 3.925
128 HA ARG 19 HA ARG 19 32.561 -7.787 3.381
129 1HB ARG 19 HB2 ARG 19 30.932 -9.709 2.121
130 2HB ARG 19 HB1 ARG 19 31.140 -8.418 0.950
131 1HG ARG 19 HG2 ARG 19 32.807 -10.419 1.041
132 2HG ARG 19 HG1 ARG 19 33.393 -8.782 0.741
133 1HD ARG 19 HD2 ARG 19 34.843 -9.819 2.337
134 2HD ARG 19 HD1 ARG 19 33.899 -8.587 3.170
135 HE ARG 19 HE ARG 19 33.033 -10.216 4.499
136 1HH1 ARG 19 HH11 ARG 19 34.265 -11.768 1.597
137 2HH1 ARG 19 HH12 ARG 19 33.993 -13.370 2.195
138 1HH2 ARG 19 HH21 ARG 19 32.698 -12.319 5.279
139 2HH2 ARG 19 HH22 ARG 19 33.086 -13.696 4.284
140 H TYR 20 HN TYR 20 29.361 -7.205 1.894
141 HA TYR 20 HA TYR 20 30.100 -4.797 0.638
142 1HB TYR 20 HB2 TYR 20 28.092 -5.098 -0.313
143 2HB TYR 20 HB1 TYR 20 27.771 -6.418 0.803
144 HD1 TYR 20 HD1 TYR 20 26.342 -6.093 2.729
145 HD2 TYR 20 HD2 TYR 20 27.181 -2.864 0.085
146 HE1 TYR 20 HE1 TYR 20 24.492 -4.811 3.716
147 HE2 TYR 20 HE2 TYR 20 25.332 -1.575 1.065
148 HH TYR 20 HH TYR 20 22.996 -2.984 3.095
149 H TYR 21 HN TYR 21 28.901 -5.543 3.814
150 HA TYR 21 HA TYR 21 28.020 -3.132 4.780
151 1HB TYR 21 HB2 TYR 21 28.523 -5.594 5.838
152 2HB TYR 21 HB1 TYR 21 29.761 -4.623 6.628
153 HD1 TYR 21 HD1 TYR 21 26.161 -5.167 6.237
154 HD2 TYR 21 HD2 TYR 21 29.175 -2.935 8.229
155 HE1 TYR 21 HE1 TYR 21 24.494 -4.387 7.861
156 HE2 TYR 21 HE2 TYR 21 27.534 -2.148 9.861
157 HH TYR 21 HH TYR 21 24.102 -2.737 9.448
158 H ALA 22 HN ALA 22 31.317 -4.374 5.293
159 HA ALA 22 HA ALA 22 32.171 -1.818 6.235
160 1HB ALA 22 HB1 ALA 22 33.109 -3.764 7.222
161 2HB ALA 22 HB2 ALA 22 34.397 -2.885 6.394
162 3HB ALA 22 HB3 ALA 22 33.706 -4.334 5.662
163 H SER 23 HN SER 23 32.287 -3.465 3.150
164 HA SER 23 HA SER 23 34.221 -1.814 1.922
165 1HB SER 23 HB2 SER 23 31.850 -3.220 0.672
166 2HB SER 23 HB1 SER 23 33.238 -2.575 -0.205
167 HG SER 23 HG SER 23 33.116 -4.766 1.573
168 H LEU 24 HN LEU 24 30.760 -1.464 2.399
169 HA LEU 24 HA LEU 24 30.487 0.892 0.829
170 1HB LEU 24 HB2 LEU 24 28.457 -0.162 1.008
171 2HB LEU 24 HB1 LEU 24 28.774 -0.724 2.638
172 HG LEU 24 HG LEU 24 28.535 1.926 3.102
173 1HD1 LEU 24 HD11 LEU 24 27.515 1.561 0.461
174 2HD1 LEU 24 HD12 LEU 24 27.608 3.042 1.425
175 3HD1 LEU 24 HD13 LEU 24 26.191 1.991 1.545
176 1HD2 LEU 24 HD21 LEU 24 26.246 1.428 3.838
177 2HD2 LEU 24 HD22 LEU 24 27.385 0.164 4.307
178 3HD2 LEU 24 HD23 LEU 24 26.299 -0.089 2.941
179 H ARG 25 HN ARG 25 30.762 0.129 4.266
180 HA ARG 25 HA ARG 25 30.455 2.752 5.210
181 1HB ARG 25 HB2 ARG 25 31.255 0.171 6.309
182 2HB ARG 25 HB1 ARG 25 32.083 1.523 7.072
183 1HG ARG 25 HG2 ARG 25 30.267 2.094 8.208
184 2HG ARG 25 HG1 ARG 25 29.276 2.080 6.750
185 1HD ARG 25 HD2 ARG 25 28.587 -0.069 7.065
186 2HD ARG 25 HD1 ARG 25 30.066 -0.536 7.904
187 HE ARG 25 HE ARG 25 27.665 0.537 9.081
188 1HH1 ARG 25 HH11 ARG 25 31.106 0.036 9.499
189 2HH1 ARG 25 HH12 ARG 25 31.059 0.228 11.223
190 1HH2 ARG 25 HH21 ARG 25 27.590 0.747 11.371
191 2HH2 ARG 25 HH22 ARG 25 29.064 0.617 12.282
192 H HIS 26 HN HIS 26 33.385 0.911 4.362
193 HA HIS 26 HA HIS 26 35.125 3.037 5.158
194 1HB HIS 26 HB2 HIS 26 35.451 0.346 4.446
195 2HB HIS 26 HB1 HIS 26 36.373 1.269 3.260
196 HD1 HIS 26 HD1 HIS 26 36.782 3.490 5.805
197 HD2 HIS 26 HD2 HIS 26 38.080 -0.443 5.382
198 HE1 HIS 26 HE1 HIS 26 38.739 3.248 7.368
199 HE2 HIS 26 HE2 HIS 26 39.544 0.873 7.059
200 H TYR 27 HN TYR 27 33.850 1.939 2.026
201 HA TYR 27 HA TYR 27 35.251 3.824 0.459
202 1HB TYR 27 HB2 TYR 27 34.235 2.086 -0.768
203 2HB TYR 27 HB1 TYR 27 32.687 2.295 0.039
204 HD1 TYR 27 HD1 TYR 27 31.061 3.808 -0.805
205 HD2 TYR 27 HD2 TYR 27 34.953 3.725 -2.515
206 HE1 TYR 27 HE1 TYR 27 30.263 5.204 -2.662
207 HE2 TYR 27 HE2 TYR 27 34.173 5.134 -4.374
208 HH TYR 27 HH TYR 27 30.858 6.440 -4.433
209 H LEU 28 HN LEU 28 32.023 3.892 1.944
210 HA LEU 28 HA LEU 28 31.298 6.472 1.059
211 1HB LEU 28 HB2 LEU 28 30.334 4.535 3.013
212 2HB LEU 28 HB1 LEU 28 30.072 6.189 3.530
213 HG LEU 28 HG LEU 28 28.824 6.633 1.456
214 1HD1 LEU 28 HD11 LEU 28 29.259 5.350 -0.300
215 2HD1 LEU 28 HD12 LEU 28 28.194 4.159 0.447
216 3HD1 LEU 28 HD13 LEU 28 29.937 4.068 0.704
217 1HD2 LEU 28 HD21 LEU 28 27.783 5.719 3.580
218 2HD2 LEU 28 HD22 LEU 28 27.717 4.168 2.745
219 3HD2 LEU 28 HD23 LEU 28 26.845 5.557 2.095
220 H ASN 29 HN ASN 29 32.980 5.435 4.006
221 HA ASN 29 HA ASN 29 32.844 8.025 5.197
222 1HB ASN 29 HB2 ASN 29 33.388 6.946 7.077
223 2HB ASN 29 HB1 ASN 29 33.281 5.467 6.136
224 1HD2 ASN 29 HD21 ASN 29 35.353 7.719 7.709
225 2HD2 ASN 29 HD22 ASN 29 36.823 6.816 7.551
226 H LEU 30 HN LEU 30 35.273 6.358 3.278
227 HA LEU 30 HA LEU 30 37.276 8.333 4.014
228 1HB LEU 30 HB2 LEU 30 37.283 5.701 2.685
229 2HB LEU 30 HB1 LEU 30 38.494 6.839 2.121
230 HG LEU 30 HG LEU 30 38.137 6.042 5.009
231 1HD1 LEU 30 HD11 LEU 30 39.402 4.661 2.828
232 2HD1 LEU 30 HD12 LEU 30 39.188 4.156 4.503
233 3HD1 LEU 30 HD13 LEU 30 40.589 5.124 4.046
234 1HD2 LEU 30 HD21 LEU 30 39.516 7.714 5.468
235 2HD2 LEU 30 HD22 LEU 30 39.517 8.181 3.767
236 3HD2 LEU 30 HD23 LEU 30 40.718 7.036 4.368
237 H VAL 31 HN VAL 31 35.100 7.704 1.386
238 HA VAL 31 HA VAL 31 36.589 9.303 -0.499
239 HB VAL 31 HB VAL 31 34.930 7.300 -0.944
240 1HG1 VAL 31 HG11 VAL 31 32.742 8.078 -1.753
241 2HG1 VAL 31 HG12 VAL 31 33.100 9.690 -1.134
242 3HG1 VAL 31 HG13 VAL 31 32.940 8.331 -0.020
243 1HG2 VAL 31 HG21 VAL 31 36.023 7.943 -2.820
244 2HG2 VAL 31 HG22 VAL 31 35.672 9.653 -2.574
245 3HG2 VAL 31 HG23 VAL 31 34.431 8.584 -3.229
246 H THR 32 HN THR 32 34.844 10.135 2.122
247 HA THR 32 HA THR 32 33.023 12.084 1.286
248 HB THR 32 HB THR 32 33.605 13.131 3.607
249 HG1 THR 32 HG1 THR 32 34.603 10.608 4.276
250 1HG2 THR 32 HG21 THR 32 31.699 12.068 4.049
251 2HG2 THR 32 HG22 THR 32 32.630 10.619 4.427
252 3HG2 THR 32 HG23 THR 32 32.028 10.879 2.789
253 H ARG 33 HN ARG 33 36.489 12.277 1.862
254 HA ARG 33 HA ARG 33 36.484 15.152 1.373
255 1HB ARG 33 HB2 ARG 33 38.028 13.451 2.972
256 2HB ARG 33 HB1 ARG 33 39.108 13.976 1.688
257 1HG ARG 33 HG2 ARG 33 37.493 15.825 3.431
258 2HG ARG 33 HG1 ARG 33 39.188 15.408 3.695
259 1HD ARG 33 HD2 ARG 33 39.642 16.264 1.369
260 2HD ARG 33 HD1 ARG 33 37.992 16.880 1.358
261 HE ARG 33 HE ARG 33 40.114 17.776 3.200
262 1HH1 ARG 33 HH11 ARG 33 37.067 18.298 1.542
263 2HH1 ARG 33 HH12 ARG 33 37.011 19.997 1.924
264 1HH2 ARG 33 HH21 ARG 33 40.012 20.009 3.720
265 2HH2 ARG 33 HH22 ARG 33 38.671 20.955 3.149
266 H GLN 34 HN GLN 34 36.416 12.541 -0.540
267 HA GLN 34 HA GLN 34 37.048 11.994 -2.644
268 1HB GLN 34 HB2 GLN 34 36.361 14.572 -2.817
269 2HB GLN 34 HB1 GLN 34 38.058 14.723 -3.252
270 1HG GLN 34 HG2 GLN 34 37.642 14.017 -5.306
271 2HG GLN 34 HG1 GLN 34 36.905 12.538 -4.688
272 1HE2 GLN 34 HE21 GLN 34 34.678 12.454 -4.414
273 2HE2 GLN 34 HE22 GLN 34 33.610 13.602 -5.151
274 H ARG 35 HN ARG 35 39.437 14.560 -2.506
275 HA ARG 35 HA ARG 35 41.675 14.628 -2.238
276 1HB ARG 35 HB2 ARG 35 41.465 13.330 -0.220
277 2HB ARG 35 HB1 ARG 35 41.333 11.838 -1.140
278 1HG ARG 35 HG2 ARG 35 43.521 11.688 -0.584
279 2HG ARG 35 HG1 ARG 35 43.698 12.662 -2.046
280 1HD ARG 35 HD2 ARG 35 44.227 14.551 -0.894
281 2HD ARG 35 HD1 ARG 35 43.246 14.108 0.504
282 HE ARG 35 HE ARG 35 45.909 12.981 -0.097
283 1HH1 ARG 35 HH11 ARG 35 43.415 13.969 2.164
284 2HH1 ARG 35 HH12 ARG 35 44.376 13.606 3.573
285 1HH2 ARG 35 HH21 ARG 35 47.150 12.474 1.745
286 2HH2 ARG 35 HH22 ARG 35 46.486 12.744 3.331
287 H TYR 36 HN TYR 36 40.962 11.304 -3.299
288 HA TYR 36 HA TYR 36 41.770 10.027 -4.979
289 1HB TYR 36 HB2 TYR 36 40.887 11.943 -6.385
290 2HB TYR 36 HB1 TYR 36 42.529 12.576 -6.411
291 HD1 TYR 36 HD1 TYR 36 44.096 11.785 -7.975
292 HD2 TYR 36 HD2 TYR 36 40.488 9.621 -7.352
293 HE1 TYR 36 HE1 TYR 36 44.631 10.354 -9.901
294 HE2 TYR 36 HE2 TYR 36 41.017 8.184 -9.274
295 HH TYR 36 HH TYR 36 43.925 8.741 -11.253
296 1HN NH2 37 H1 NH2 37 45.503 11.642 -5.122
297 2HN NH2 37 H2 NH2 37 44.151 12.498 -5.770
Start of MODEL 10
1 1H TYR 1 HT1 TYR 1 38.564 -4.533 -7.211
2 2H TYR 1 HT2 TYR 1 36.873 -4.459 -7.096
3 3H TYR 1 HT3 TYR 1 37.781 -5.144 -5.836
4 HA TYR 1 HA TYR 1 38.413 -3.194 -4.973
5 1HB TYR 1 HB2 TYR 1 38.321 -1.059 -6.505
6 2HB TYR 1 HB1 TYR 1 39.672 -2.177 -6.630
7 HD1 TYR 1 HD1 TYR 1 36.376 -1.386 -8.188
8 HD2 TYR 1 HD2 TYR 1 40.251 -3.068 -8.695
9 HE1 TYR 1 HE1 TYR 1 35.957 -1.609 -10.598
10 HE2 TYR 1 HE2 TYR 1 39.842 -3.296 -11.110
11 HH TYR 1 HH TYR 1 37.735 -3.517 -12.610
12 HA PRO 2 HA PRO 2 34.294 -1.851 -3.988
13 1HB PRO 2 HB2 PRO 2 34.883 0.513 -2.726
14 2HB PRO 2 HB1 PRO 2 35.029 -1.075 -1.966
15 1HG PRO 2 HG2 PRO 2 37.144 0.643 -3.193
16 2HG PRO 2 HG1 PRO 2 37.205 -0.328 -1.709
17 1HD PRO 2 HD2 PRO 2 38.324 -1.164 -4.023
18 2HD PRO 2 HD1 PRO 2 37.601 -2.290 -2.859
19 H ILE 3 HN ILE 3 33.340 -1.387 -5.924
20 HA ILE 3 HA ILE 3 33.921 1.167 -7.210
21 HB ILE 3 HB ILE 3 33.895 -0.542 -8.808
22 1HG1 ILE 3 HG12 ILE 3 31.210 -0.113 -9.598
23 2HG1 ILE 3 HG11 ILE 3 31.753 1.366 -8.811
24 1HG2 ILE 3 HG21 ILE 3 32.905 -2.495 -8.480
25 2HG2 ILE 3 HG22 ILE 3 31.313 -1.740 -8.538
26 3HG2 ILE 3 HG23 ILE 3 32.185 -1.845 -7.006
27 1HD1 ILE 3 HD11 ILE 3 32.558 1.888 -10.821
28 2HD1 ILE 3 HD12 ILE 3 32.506 0.217 -11.386
29 3HD1 ILE 3 HD13 ILE 3 33.869 0.779 -10.418
30 H LYS 4 HN LYS 4 31.084 -0.674 -6.118
31 HA LYS 4 HA LYS 4 29.872 1.461 -4.785
32 1HB LYS 4 HB2 LYS 4 29.618 2.250 -7.194
33 2HB LYS 4 HB1 LYS 4 28.526 0.892 -7.428
34 1HG LYS 4 HG2 LYS 4 27.088 1.782 -5.622
35 2HG LYS 4 HG1 LYS 4 28.161 3.182 -5.504
36 1HD LYS 4 HD2 LYS 4 26.034 3.430 -6.905
37 2HD LYS 4 HD1 LYS 4 27.549 3.977 -7.617
38 1HE LYS 4 HE2 LYS 4 26.646 2.792 -9.366
39 2HE LYS 4 HE1 LYS 4 27.624 1.551 -8.587
40 1HZ LYS 4 HZ1 LYS 4 25.076 1.550 -7.405
41 2HZ LYS 4 HZ2 LYS 4 25.818 0.334 -8.318
42 3HZ LYS 4 HZ3 LYS 4 24.882 1.519 -9.091
43 HA PRO 5 HA PRO 5 27.838 -2.573 -4.029
44 1HB PRO 5 HB2 PRO 5 28.735 -3.012 -1.531
45 2HB PRO 5 HB1 PRO 5 29.702 -3.426 -2.952
46 1HG PRO 5 HG2 PRO 5 30.025 -1.198 -1.029
47 2HG PRO 5 HG1 PRO 5 31.243 -2.013 -2.021
48 1HD PRO 5 HD2 PRO 5 29.959 0.480 -2.540
49 2HD PRO 5 HD1 PRO 5 31.089 -0.392 -3.592
50 H GLU 6 HN GLU 6 25.817 -1.519 -3.990
51 HA GLU 6 HA GLU 6 25.158 -0.132 -1.480
52 1HB GLU 6 HB2 GLU 6 23.667 1.251 -2.623
53 2HB GLU 6 HB1 GLU 6 25.037 1.119 -3.712
54 1HG GLU 6 HG2 GLU 6 23.050 -0.930 -4.210
55 2HG GLU 6 HG1 GLU 6 22.385 0.698 -4.339
56 H ALA 7 HN ALA 7 24.301 -2.786 -3.558
57 HA ALA 7 HA ALA 7 22.247 -3.578 -1.621
58 1HB ALA 7 HB1 ALA 7 21.223 -4.246 -4.166
59 2HB ALA 7 HB2 ALA 7 21.669 -2.541 -4.207
60 3HB ALA 7 HB3 ALA 7 20.553 -3.131 -2.975
61 HA PRO 8 HA PRO 8 24.329 -7.433 -2.611
62 1HB PRO 8 HB2 PRO 8 23.743 -8.700 -0.330
63 2HB PRO 8 HB1 PRO 8 24.946 -7.407 -0.383
64 1HG PRO 8 HG2 PRO 8 22.147 -7.348 0.628
65 2HG PRO 8 HG1 PRO 8 23.577 -6.490 1.226
66 1HD PRO 8 HD2 PRO 8 21.574 -5.431 -0.433
67 2HD PRO 8 HD1 PRO 8 23.160 -4.704 -0.111
68 H GLY 9 HN GLY 9 21.008 -6.879 -1.805
69 1HA GLY 9 HA2 GLY 9 19.659 -8.312 -3.561
70 2HA GLY 9 HA1 GLY 9 20.204 -9.599 -2.490
71 H GLU 10 HN GLU 10 18.735 -10.175 -1.038
72 HA GLU 10 HA GLU 10 17.165 -8.054 0.260
73 1HB GLU 10 HB2 GLU 10 15.879 -9.385 -1.513
74 2HB GLU 10 HB1 GLU 10 16.007 -10.754 -0.416
75 1HG GLU 10 HG2 GLU 10 14.852 -9.445 1.315
76 2HG GLU 10 HG1 GLU 10 14.676 -8.121 0.163
77 H ASP 11 HN ASP 11 18.705 -8.204 1.941
78 HA ASP 11 HA ASP 11 19.524 -8.879 3.943
79 1HB ASP 11 HB2 ASP 11 17.170 -9.272 4.570
80 2HB ASP 11 HB1 ASP 11 17.277 -10.900 3.914
81 H ALA 12 HN ALA 12 21.462 -9.581 3.148
82 HA ALA 12 HA ALA 12 21.752 -12.305 2.200
83 1HB ALA 12 HB1 ALA 12 23.899 -11.722 1.515
84 2HB ALA 12 HB2 ALA 12 24.040 -10.431 2.705
85 3HB ALA 12 HB3 ALA 12 22.993 -10.224 1.303
86 H SER 13 HN SER 13 23.643 -13.588 3.122
87 HA SER 13 HA SER 13 23.214 -13.946 5.938
88 1HB SER 13 HB2 SER 13 25.426 -15.484 5.036
89 2HB SER 13 HB1 SER 13 23.777 -16.036 5.336
90 HG SER 13 HG SER 13 23.385 -16.043 3.262
91 HA PRO 14 HA PRO 14 26.681 -11.735 7.701
92 1HB PRO 14 HB2 PRO 14 27.799 -13.816 9.187
93 2HB PRO 14 HB1 PRO 14 26.536 -12.715 9.746
94 1HG PRO 14 HG2 PRO 14 26.299 -15.478 8.649
95 2HG PRO 14 HG1 PRO 14 25.371 -14.696 9.944
96 1HD PRO 14 HD2 PRO 14 24.336 -15.038 7.501
97 2HD PRO 14 HD1 PRO 14 23.997 -13.571 8.444
98 H GLU 15 HN GLU 15 28.861 -11.503 7.412
99 HA GLU 15 HA GLU 15 30.956 -11.767 6.574
100 1HB GLU 15 HB2 GLU 15 30.464 -14.342 6.997
101 2HB GLU 15 HB1 GLU 15 30.360 -14.376 5.244
102 1HG GLU 15 HG2 GLU 15 32.624 -14.793 6.563
103 2HG GLU 15 HG1 GLU 15 32.575 -14.042 4.967
104 H GLU 16 HN GLU 16 28.387 -13.019 4.503
105 HA GLU 16 HA GLU 16 29.433 -11.920 2.098
106 1HB GLU 16 HB2 GLU 16 26.923 -13.199 3.011
107 2HB GLU 16 HB1 GLU 16 26.806 -12.189 1.577
108 1HG GLU 16 HG2 GLU 16 27.955 -14.844 1.912
109 2HG GLU 16 HG1 GLU 16 27.358 -14.043 0.461
110 H LEU 17 HN LEU 17 26.654 -11.031 4.139
111 HA LEU 17 HA LEU 17 26.212 -8.469 3.116
112 1HB LEU 17 HB2 LEU 17 25.341 -10.008 5.378
113 2HB LEU 17 HB1 LEU 17 25.764 -8.395 5.924
114 HG LEU 17 HG LEU 17 23.765 -9.049 3.751
115 1HD1 LEU 17 HD11 LEU 17 23.516 -8.328 6.645
116 2HD1 LEU 17 HD12 LEU 17 22.708 -9.608 5.739
117 3HD1 LEU 17 HD13 LEU 17 22.236 -7.925 5.501
118 1HD2 LEU 17 HD21 LEU 17 23.222 -6.629 3.908
119 2HD2 LEU 17 HD22 LEU 17 24.825 -6.954 3.250
120 3HD2 LEU 17 HD23 LEU 17 24.650 -6.416 4.922
121 H ASN 18 HN ASN 18 28.348 -9.623 5.669
122 HA ASN 18 HA ASN 18 29.318 -7.165 6.583
123 1HB ASN 18 HB2 ASN 18 29.813 -9.020 7.937
124 2HB ASN 18 HB1 ASN 18 30.439 -9.957 6.585
125 1HD2 ASN 18 HD21 ASN 18 32.573 -10.038 6.326
126 2HD2 ASN 18 HD22 ASN 18 33.710 -8.986 7.103
127 H ARG 19 HN ARG 19 30.495 -9.298 4.002
128 HA ARG 19 HA ARG 19 32.816 -7.903 3.316
129 1HB ARG 19 HB2 ARG 19 31.130 -9.934 2.131
130 2HB ARG 19 HB1 ARG 19 31.746 -8.834 0.907
131 1HG ARG 19 HG2 ARG 19 33.790 -9.701 1.019
132 2HG ARG 19 HG1 ARG 19 33.804 -9.639 2.784
133 1HD ARG 19 HD2 ARG 19 34.028 -11.932 1.950
134 2HD ARG 19 HD1 ARG 19 32.553 -11.717 2.890
135 HE ARG 19 HE ARG 19 31.295 -12.061 0.980
136 1HH1 ARG 19 HH11 ARG 19 34.710 -11.929 0.174
137 2HH1 ARG 19 HH12 ARG 19 34.455 -12.461 -1.470
138 1HH2 ARG 19 HH21 ARG 19 30.966 -12.763 -1.124
139 2HH2 ARG 19 HH22 ARG 19 32.323 -12.932 -2.205
140 H TYR 20 HN TYR 20 29.620 -7.681 1.778
141 HA TYR 20 HA TYR 20 30.251 -5.481 0.133
142 1HB TYR 20 HB2 TYR 20 28.321 -6.250 -0.713
143 2HB TYR 20 HB1 TYR 20 27.939 -7.105 0.771
144 HD1 TYR 20 HD1 TYR 20 27.238 -4.220 -1.275
145 HD2 TYR 20 HD2 TYR 20 26.652 -5.944 2.564
146 HE1 TYR 20 HE1 TYR 20 25.361 -2.686 -0.884
147 HE2 TYR 20 HE2 TYR 20 24.768 -4.405 2.975
148 HH TYR 20 HH TYR 20 23.735 -2.077 0.471
149 H TYR 21 HN TYR 21 28.954 -5.728 3.373
150 HA TYR 21 HA TYR 21 28.118 -3.096 3.798
151 1HB TYR 21 HB2 TYR 21 27.951 -5.326 5.230
152 2HB TYR 21 HB1 TYR 21 29.384 -4.662 6.007
153 HD1 TYR 21 HD1 TYR 21 25.806 -4.215 5.412
154 HD2 TYR 21 HD2 TYR 21 29.247 -2.728 7.404
155 HE1 TYR 21 HE1 TYR 21 24.368 -2.831 6.835
156 HE2 TYR 21 HE2 TYR 21 27.838 -1.338 8.835
157 HH TYR 21 HH TYR 21 24.296 -1.544 8.702
158 H ALA 22 HN ALA 22 31.175 -4.652 4.713
159 HA ALA 22 HA ALA 22 32.285 -2.273 5.764
160 1HB ALA 22 HB1 ALA 22 33.263 -5.024 5.248
161 2HB ALA 22 HB2 ALA 22 33.240 -4.079 6.738
162 3HB ALA 22 HB3 ALA 22 34.460 -3.749 5.503
163 H SER 23 HN SER 23 32.267 -3.685 2.564
164 HA SER 23 HA SER 23 34.324 -1.964 1.541
165 1HB SER 23 HB2 SER 23 32.160 -3.449 0.028
166 2HB SER 23 HB1 SER 23 33.638 -2.765 -0.654
167 HG SER 23 HG SER 23 33.294 -5.027 0.977
168 H LEU 24 HN LEU 24 30.925 -1.701 2.104
169 HA LEU 24 HA LEU 24 30.446 0.530 0.401
170 1HB LEU 24 HB2 LEU 24 28.538 -0.746 0.879
171 2HB LEU 24 HB1 LEU 24 28.923 -0.850 2.587
172 HG LEU 24 HG LEU 24 28.528 1.780 2.461
173 1HD1 LEU 24 HD11 LEU 24 26.735 2.354 0.947
174 2HD1 LEU 24 HD12 LEU 24 26.723 0.715 0.293
175 3HD1 LEU 24 HD13 LEU 24 28.121 1.758 0.032
176 1HD2 LEU 24 HD21 LEU 24 27.279 0.621 4.010
177 2HD2 LEU 24 HD22 LEU 24 26.612 -0.482 2.808
178 3HD2 LEU 24 HD23 LEU 24 26.032 1.178 2.898
179 H ARG 25 HN ARG 25 30.860 0.064 3.906
180 HA ARG 25 HA ARG 25 30.883 2.848 4.460
181 1HB ARG 25 HB2 ARG 25 31.859 2.151 6.676
182 2HB ARG 25 HB1 ARG 25 30.310 1.429 6.272
183 1HG ARG 25 HG2 ARG 25 32.022 -0.434 5.299
184 2HG ARG 25 HG1 ARG 25 32.931 0.187 6.679
185 1HD ARG 25 HD2 ARG 25 30.048 -0.436 7.057
186 2HD ARG 25 HD1 ARG 25 31.178 -1.782 6.928
187 HE ARG 25 HE ARG 25 31.630 0.373 8.882
188 1HH1 ARG 25 HH11 ARG 25 31.040 -3.013 8.190
189 2HH1 ARG 25 HH12 ARG 25 31.451 -3.550 9.788
190 1HH2 ARG 25 HH21 ARG 25 32.164 -0.310 10.971
191 2HH2 ARG 25 HH22 ARG 25 32.096 -2.000 11.385
192 H HIS 26 HN HIS 26 33.337 0.559 3.498
193 HA HIS 26 HA HIS 26 35.624 2.088 4.137
194 1HB HIS 26 HB2 HIS 26 35.022 -0.272 2.555
195 2HB HIS 26 HB1 HIS 26 36.158 0.771 1.706
196 HD1 HIS 26 HD1 HIS 26 36.842 -2.062 2.949
197 HD2 HIS 26 HD2 HIS 26 37.699 1.640 4.640
198 HE1 HIS 26 HE1 HIS 26 38.760 -2.462 4.528
199 HE2 HIS 26 HE2 HIS 26 39.403 -0.171 5.354
200 H TYR 27 HN TYR 27 33.870 1.695 1.085
201 HA TYR 27 HA TYR 27 35.010 3.804 -0.313
202 1HB TYR 27 HB2 TYR 27 33.376 1.956 -1.115
203 2HB TYR 27 HB1 TYR 27 32.103 3.047 -0.588
204 HD1 TYR 27 HD1 TYR 27 32.532 5.582 -1.514
205 HD2 TYR 27 HD2 TYR 27 33.848 1.979 -3.366
206 HE1 TYR 27 HE1 TYR 27 32.619 6.733 -3.677
207 HE2 TYR 27 HE2 TYR 27 33.943 3.134 -5.533
208 HH TYR 27 HH TYR 27 32.914 5.096 -6.616
209 H LEU 28 HN LEU 28 32.125 3.719 1.765
210 HA LEU 28 HA LEU 28 31.585 6.507 1.320
211 1HB LEU 28 HB2 LEU 28 30.324 4.277 2.707
212 2HB LEU 28 HB1 LEU 28 30.115 5.811 3.532
213 HG LEU 28 HG LEU 28 28.232 5.529 2.118
214 1HD1 LEU 28 HD11 LEU 28 29.531 7.758 2.109
215 2HD1 LEU 28 HD12 LEU 28 28.258 7.502 0.914
216 3HD1 LEU 28 HD13 LEU 28 29.951 7.317 0.452
217 1HD2 LEU 28 HD21 LEU 28 28.223 4.518 0.119
218 2HD2 LEU 28 HD22 LEU 28 29.842 3.974 0.558
219 3HD2 LEU 28 HD23 LEU 28 29.635 5.411 -0.446
220 H ASN 29 HN ASN 29 33.942 5.101 3.198
221 HA ASN 29 HA ASN 29 33.913 7.417 5.019
222 1HB ASN 29 HB2 ASN 29 35.037 4.681 5.210
223 2HB ASN 29 HB1 ASN 29 36.071 5.958 5.843
224 1HD2 ASN 29 HD21 ASN 29 32.553 5.863 5.846
225 2HD2 ASN 29 HD22 ASN 29 32.380 5.817 7.565
226 H LEU 30 HN LEU 30 35.593 6.070 2.280
227 HA LEU 30 HA LEU 30 37.585 8.104 2.292
228 1HB LEU 30 HB2 LEU 30 36.399 6.313 0.197
229 2HB LEU 30 HB1 LEU 30 37.481 7.615 -0.258
230 HG LEU 30 HG LEU 30 39.242 6.361 0.204
231 1HD1 LEU 30 HD11 LEU 30 38.583 5.208 2.785
232 2HD1 LEU 30 HD12 LEU 30 38.399 6.962 2.745
233 3HD1 LEU 30 HD13 LEU 30 39.944 6.224 2.312
234 1HD2 LEU 30 HD21 LEU 30 38.930 3.955 0.729
235 2HD2 LEU 30 HD22 LEU 30 37.982 4.528 -0.643
236 3HD2 LEU 30 HD23 LEU 30 37.205 4.279 0.922
237 H VAL 31 HN VAL 31 34.243 7.906 1.630
238 HA VAL 31 HA VAL 31 34.152 10.612 0.543
239 HB VAL 31 HB VAL 31 31.841 8.734 1.062
240 1HG1 VAL 31 HG11 VAL 31 30.600 10.219 -0.435
241 2HG1 VAL 31 HG12 VAL 31 32.024 11.247 -0.609
242 3HG1 VAL 31 HG13 VAL 31 31.221 11.109 0.956
243 1HG2 VAL 31 HG21 VAL 31 32.152 8.951 -1.675
244 2HG2 VAL 31 HG22 VAL 31 32.617 7.566 -0.687
245 3HG2 VAL 31 HG23 VAL 31 33.808 8.806 -1.089
246 H THR 32 HN THR 32 34.868 11.703 2.332
247 HA THR 32 HA THR 32 34.549 13.169 4.021
248 HB THR 32 HB THR 32 32.466 13.989 4.533
249 HG1 THR 32 HG1 THR 32 30.682 12.080 3.990
250 1HG2 THR 32 HG21 THR 32 30.967 13.741 2.558
251 2HG2 THR 32 HG22 THR 32 32.040 12.472 1.969
252 3HG2 THR 32 HG23 THR 32 32.641 14.122 2.144
253 H ARG 33 HN ARG 33 34.738 10.066 4.327
254 HA ARG 33 HA ARG 33 34.770 8.469 5.926
255 1HB ARG 33 HB2 ARG 33 36.341 10.448 6.764
256 2HB ARG 33 HB1 ARG 33 35.166 10.492 8.075
257 1HG ARG 33 HG2 ARG 33 35.856 7.786 7.654
258 2HG ARG 33 HG1 ARG 33 37.354 8.717 7.670
259 1HD ARG 33 HD2 ARG 33 37.172 9.209 9.854
260 2HD ARG 33 HD1 ARG 33 35.426 9.449 9.758
261 HE ARG 33 HE ARG 33 35.099 7.174 10.160
262 1HH1 ARG 33 HH11 ARG 33 38.515 7.972 10.061
263 2HH1 ARG 33 HH12 ARG 33 39.014 6.468 10.779
264 1HH2 ARG 33 HH21 ARG 33 35.760 5.192 11.091
265 2HH2 ARG 33 HH22 ARG 33 37.450 4.889 11.367
266 H GLN 34 HN GLN 34 32.247 9.756 5.271
267 HA GLN 34 HA GLN 34 30.078 9.874 5.939
268 1HB GLN 34 HB2 GLN 34 30.773 7.413 6.415
269 2HB GLN 34 HB1 GLN 34 30.672 7.885 8.107
270 1HG GLN 34 HG2 GLN 34 28.570 7.056 7.753
271 2HG GLN 34 HG1 GLN 34 28.312 8.765 7.418
272 1HE2 GLN 34 HE21 GLN 34 29.993 8.073 4.848
273 2HE2 GLN 34 HE22 GLN 34 28.773 7.481 3.776
274 H ARG 35 HN ARG 35 31.470 11.938 6.930
275 HA ARG 35 HA ARG 35 29.979 12.535 9.338
276 1HB ARG 35 HB2 ARG 35 32.811 11.899 9.424
277 2HB ARG 35 HB1 ARG 35 32.501 13.527 10.007
278 1HG ARG 35 HG2 ARG 35 31.342 10.960 11.064
279 2HG ARG 35 HG1 ARG 35 32.476 12.043 11.872
280 1HD ARG 35 HD2 ARG 35 29.674 12.804 11.063
281 2HD ARG 35 HD1 ARG 35 30.126 12.245 12.671
282 HE ARG 35 HE ARG 35 31.724 14.459 11.857
283 1HH1 ARG 35 HH11 ARG 35 28.569 13.599 13.115
284 2HH1 ARG 35 HH12 ARG 35 28.293 15.151 13.852
285 1HH2 ARG 35 HH21 ARG 35 31.355 16.515 12.794
286 2HH2 ARG 35 HH22 ARG 35 29.878 16.811 13.665
287 H TYR 36 HN TYR 36 32.495 13.666 7.093
288 HA TYR 36 HA TYR 36 31.576 16.417 7.466
289 1HB TYR 36 HB2 TYR 36 33.809 15.680 5.606
290 2HB TYR 36 HB1 TYR 36 33.610 17.126 6.588
291 HD1 TYR 36 HD1 TYR 36 35.413 14.157 6.258
292 HD2 TYR 36 HD2 TYR 36 33.615 16.631 9.211
293 HE1 TYR 36 HE1 TYR 36 36.887 13.176 7.965
294 HE2 TYR 36 HE2 TYR 36 35.079 15.657 10.927
295 HH TYR 36 HH TYR 36 36.788 14.304 11.337
296 1HN NH2 37 H1 NH2 37 29.521 15.396 4.574
297 2HN NH2 37 H2 NH2 37 29.614 15.017 6.256
Start of MODEL 11
1 1H TYR 1 HT1 TYR 1 38.222 -5.352 -5.127
2 2H TYR 1 HT2 TYR 1 36.984 -4.586 -4.248
3 3H TYR 1 HT3 TYR 1 38.605 -4.389 -3.787
4 HA TYR 1 HA TYR 1 39.010 -2.809 -5.269
5 1HB TYR 1 HB2 TYR 1 38.204 -4.802 -7.006
6 2HB TYR 1 HB1 TYR 1 37.094 -3.484 -7.374
7 HD1 TYR 1 HD1 TYR 1 40.621 -4.532 -7.358
8 HD2 TYR 1 HD2 TYR 1 37.878 -1.450 -8.401
9 HE1 TYR 1 HE1 TYR 1 42.362 -3.444 -8.706
10 HE2 TYR 1 HE2 TYR 1 39.613 -0.356 -9.754
11 HH TYR 1 HH TYR 1 42.896 -1.724 -9.997
12 HA PRO 2 HA PRO 2 35.631 -0.176 -4.059
13 1HB PRO 2 HB2 PRO 2 36.973 1.911 -5.636
14 2HB PRO 2 HB1 PRO 2 36.658 1.846 -3.900
15 1HG PRO 2 HG2 PRO 2 39.138 1.571 -4.887
16 2HG PRO 2 HG1 PRO 2 38.598 0.674 -3.453
17 1HD PRO 2 HD2 PRO 2 38.836 -0.261 -6.296
18 2HD PRO 2 HD1 PRO 2 39.311 -1.090 -4.797
19 H ILE 3 HN ILE 3 34.262 -1.462 -5.586
20 HA ILE 3 HA ILE 3 33.767 -0.133 -8.119
21 HB ILE 3 HB ILE 3 33.744 -2.460 -8.372
22 1HG1 ILE 3 HG12 ILE 3 30.790 -1.980 -8.090
23 2HG1 ILE 3 HG11 ILE 3 31.729 -1.131 -9.314
24 1HG2 ILE 3 HG21 ILE 3 32.891 -2.528 -5.700
25 2HG2 ILE 3 HG22 ILE 3 33.359 -3.881 -6.729
26 3HG2 ILE 3 HG23 ILE 3 31.669 -3.386 -6.637
27 1HD1 ILE 3 HD11 ILE 3 30.563 -3.220 -10.068
28 2HD1 ILE 3 HD12 ILE 3 31.699 -4.123 -9.065
29 3HD1 ILE 3 HD13 ILE 3 32.292 -3.146 -10.407
30 H LYS 4 HN LYS 4 31.259 -1.456 -5.999
31 HA LYS 4 HA LYS 4 30.224 1.023 -5.121
32 1HB LYS 4 HB2 LYS 4 29.647 0.549 -7.783
33 2HB LYS 4 HB1 LYS 4 28.216 -0.054 -6.956
34 1HG LYS 4 HG2 LYS 4 27.654 2.016 -6.125
35 2HG LYS 4 HG1 LYS 4 29.305 2.629 -6.255
36 1HD LYS 4 HD2 LYS 4 28.991 3.338 -8.351
37 2HD LYS 4 HD1 LYS 4 28.176 1.846 -8.824
38 1HE LYS 4 HE2 LYS 4 26.534 3.422 -7.043
39 2HE LYS 4 HE1 LYS 4 27.021 4.359 -8.456
40 1HZ LYS 4 HZ1 LYS 4 26.284 2.285 -9.749
41 2HZ LYS 4 HZ2 LYS 4 25.090 3.322 -9.144
42 3HZ LYS 4 HZ3 LYS 4 25.441 1.869 -8.337
43 HA PRO 5 HA PRO 5 28.420 -2.453 -2.811
44 1HB PRO 5 HB2 PRO 5 28.643 -1.354 -0.380
45 2HB PRO 5 HB1 PRO 5 30.050 -2.041 -1.204
46 1HG PRO 5 HG2 PRO 5 29.229 0.819 -0.910
47 2HG PRO 5 HG1 PRO 5 30.849 0.105 -0.821
48 1HD PRO 5 HD2 PRO 5 29.796 1.375 -3.048
49 2HD PRO 5 HD1 PRO 5 31.137 0.213 -3.082
50 H GLU 6 HN GLU 6 26.633 -1.208 -4.243
51 HA GLU 6 HA GLU 6 24.966 0.673 -2.947
52 1HB GLU 6 HB2 GLU 6 25.161 -0.378 -5.492
53 2HB GLU 6 HB1 GLU 6 23.635 -1.031 -4.916
54 1HG GLU 6 HG2 GLU 6 22.629 1.001 -4.828
55 2HG GLU 6 HG1 GLU 6 24.133 1.854 -4.489
56 H ALA 7 HN ALA 7 24.138 -2.686 -3.817
57 HA ALA 7 HA ALA 7 23.279 -3.466 -1.260
58 1HB ALA 7 HB1 ALA 7 20.731 -3.490 -2.110
59 2HB ALA 7 HB2 ALA 7 21.289 -2.005 -2.879
60 3HB ALA 7 HB3 ALA 7 21.414 -2.192 -1.131
61 HA PRO 8 HA PRO 8 23.436 -7.062 -4.070
62 1HB PRO 8 HB2 PRO 8 24.229 -8.445 -1.615
63 2HB PRO 8 HB1 PRO 8 25.102 -8.306 -3.141
64 1HG PRO 8 HG2 PRO 8 25.914 -7.062 -0.882
65 2HG PRO 8 HG1 PRO 8 26.185 -6.382 -2.496
66 1HD PRO 8 HD2 PRO 8 24.104 -5.674 -0.463
67 2HD PRO 8 HD1 PRO 8 25.053 -4.610 -1.525
68 H GLY 9 HN GLY 9 22.047 -6.466 -0.942
69 1HA GLY 9 HA2 GLY 9 19.507 -7.251 -1.318
70 2HA GLY 9 HA1 GLY 9 20.316 -8.779 -0.988
71 H GLU 10 HN GLU 10 18.393 -6.812 0.502
72 HA GLU 10 HA GLU 10 19.886 -6.162 2.879
73 1HB GLU 10 HB2 GLU 10 16.910 -6.077 2.336
74 2HB GLU 10 HB1 GLU 10 17.704 -5.395 3.748
75 1HG GLU 10 HG2 GLU 10 17.515 -3.529 2.467
76 2HG GLU 10 HG1 GLU 10 19.095 -4.096 1.933
77 H ASP 11 HN ASP 11 20.299 -8.733 2.531
78 HA ASP 11 HA ASP 11 19.505 -9.923 4.951
79 1HB ASP 11 HB2 ASP 11 17.460 -10.684 4.281
80 2HB ASP 11 HB1 ASP 11 17.856 -10.544 2.574
81 H ALA 12 HN ALA 12 20.200 -10.970 1.620
82 HA ALA 12 HA ALA 12 21.810 -12.343 0.751
83 1HB ALA 12 HB1 ALA 12 23.665 -10.650 2.397
84 2HB ALA 12 HB2 ALA 12 22.800 -10.038 0.986
85 3HB ALA 12 HB3 ALA 12 23.949 -11.363 0.808
86 H SER 13 HN SER 13 24.124 -11.953 3.192
87 HA SER 13 HA SER 13 23.412 -14.283 4.726
88 1HB SER 13 HB2 SER 13 25.210 -15.681 4.115
89 2HB SER 13 HB1 SER 13 24.670 -15.044 2.562
90 HG SER 13 HG SER 13 26.716 -14.530 2.389
91 HA PRO 14 HA PRO 14 25.564 -12.118 7.949
92 1HB PRO 14 HB2 PRO 14 27.220 -14.560 8.382
93 2HB PRO 14 HB1 PRO 14 26.266 -13.623 9.539
94 1HG PRO 14 HG2 PRO 14 25.383 -15.974 8.649
95 2HG PRO 14 HG1 PRO 14 24.269 -14.616 8.905
96 1HD PRO 14 HD2 PRO 14 25.369 -15.713 6.355
97 2HD PRO 14 HD1 PRO 14 23.762 -15.041 6.697
98 H GLU 15 HN GLU 15 27.557 -14.047 5.761
99 HA GLU 15 HA GLU 15 29.924 -12.491 6.313
100 1HB GLU 15 HB2 GLU 15 29.286 -15.003 5.004
101 2HB GLU 15 HB1 GLU 15 30.423 -14.045 4.063
102 1HG GLU 15 HG2 GLU 15 30.853 -14.506 6.987
103 2HG GLU 15 HG1 GLU 15 31.342 -15.706 5.790
104 H GLU 16 HN GLU 16 27.570 -12.794 3.702
105 HA GLU 16 HA GLU 16 28.978 -11.148 1.864
106 1HB GLU 16 HB2 GLU 16 26.420 -12.549 1.949
107 2HB GLU 16 HB1 GLU 16 26.310 -10.997 1.132
108 1HG GLU 16 HG2 GLU 16 26.776 -12.601 -0.530
109 2HG GLU 16 HG1 GLU 16 28.275 -11.712 -0.260
110 H LEU 17 HN LEU 17 26.400 -10.594 4.224
111 HA LEU 17 HA LEU 17 25.992 -7.859 3.644
112 1HB LEU 17 HB2 LEU 17 24.910 -9.702 5.406
113 2HB LEU 17 HB1 LEU 17 25.713 -8.553 6.463
114 HG LEU 17 HG LEU 17 24.447 -6.732 5.220
115 1HD1 LEU 17 HD11 LEU 17 22.444 -7.360 4.038
116 2HD1 LEU 17 HD12 LEU 17 22.771 -9.071 4.320
117 3HD1 LEU 17 HD13 LEU 17 23.836 -8.129 3.275
118 1HD2 LEU 17 HD21 LEU 17 22.209 -7.846 6.389
119 2HD2 LEU 17 HD22 LEU 17 23.415 -6.839 7.186
120 3HD2 LEU 17 HD23 LEU 17 23.551 -8.596 7.253
121 H ASN 18 HN ASN 18 28.175 -9.570 5.832
122 HA ASN 18 HA ASN 18 29.415 -7.301 6.954
123 1HB ASN 18 HB2 ASN 18 29.887 -9.248 8.132
124 2HB ASN 18 HB1 ASN 18 30.150 -10.193 6.674
125 1HD2 ASN 18 HD21 ASN 18 32.166 -10.850 6.510
126 2HD2 ASN 18 HD22 ASN 18 33.567 -9.948 6.979
127 H ARG 19 HN ARG 19 30.088 -9.214 4.061
128 HA ARG 19 HA ARG 19 32.497 -7.974 3.319
129 1HB ARG 19 HB2 ARG 19 30.381 -9.504 1.908
130 2HB ARG 19 HB1 ARG 19 31.509 -8.587 0.917
131 1HG ARG 19 HG2 ARG 19 33.376 -9.734 2.099
132 2HG ARG 19 HG1 ARG 19 32.178 -10.748 2.903
133 1HD ARG 19 HD2 ARG 19 31.849 -10.635 0.007
134 2HD ARG 19 HD1 ARG 19 33.409 -11.285 0.502
135 HE ARG 19 HE ARG 19 30.944 -12.629 0.593
136 1HH1 ARG 19 HH11 ARG 19 33.794 -12.162 2.589
137 2HH1 ARG 19 HH12 ARG 19 33.624 -13.689 3.398
138 1HH2 ARG 19 HH21 ARG 19 30.758 -14.629 1.612
139 2HH2 ARG 19 HH22 ARG 19 31.927 -15.106 2.810
140 H TYR 20 HN TYR 20 29.206 -7.268 2.175
141 HA TYR 20 HA TYR 20 29.916 -4.950 0.725
142 1HB TYR 20 HB2 TYR 20 27.817 -5.319 0.020
143 2HB TYR 20 HB1 TYR 20 27.519 -6.414 1.361
144 HD1 TYR 20 HD1 TYR 20 26.976 -3.082 0.030
145 HD2 TYR 20 HD2 TYR 20 26.509 -5.564 3.455
146 HE1 TYR 20 HE1 TYR 20 25.362 -1.478 0.956
147 HE2 TYR 20 HE2 TYR 20 24.888 -3.963 4.401
148 HH TYR 20 HH TYR 20 23.350 -2.202 3.597
149 H TYR 21 HN TYR 21 29.105 -5.545 4.044
150 HA TYR 21 HA TYR 21 28.535 -2.995 4.986
151 1HB TYR 21 HB2 TYR 21 28.650 -5.428 6.093
152 2HB TYR 21 HB1 TYR 21 30.178 -4.791 6.685
153 HD1 TYR 21 HD1 TYR 21 26.529 -4.241 6.650
154 HD2 TYR 21 HD2 TYR 21 30.248 -3.241 8.440
155 HE1 TYR 21 HE1 TYR 21 25.334 -3.123 8.478
156 HE2 TYR 21 HE2 TYR 21 29.084 -2.112 10.267
157 HH TYR 21 HH TYR 21 25.798 -1.324 10.167
158 H ALA 22 HN ALA 22 31.661 -4.694 5.162
159 HA ALA 22 HA ALA 22 33.022 -2.365 6.067
160 1HB ALA 22 HB1 ALA 22 34.025 -5.019 5.076
161 2HB ALA 22 HB2 ALA 22 33.840 -4.477 6.747
162 3HB ALA 22 HB3 ALA 22 35.071 -3.750 5.711
163 H SER 23 HN SER 23 32.376 -3.729 2.919
164 HA SER 23 HA SER 23 34.173 -2.139 1.434
165 1HB SER 23 HB2 SER 23 31.425 -3.148 0.651
166 2HB SER 23 HB1 SER 23 32.633 -2.511 -0.464
167 HG SER 23 HG SER 23 32.884 -4.828 1.172
168 H LEU 24 HN LEU 24 30.840 -1.590 2.489
169 HA LEU 24 HA LEU 24 30.522 1.016 1.487
170 1HB LEU 24 HB2 LEU 24 28.762 -0.635 2.385
171 2HB LEU 24 HB1 LEU 24 29.220 -0.058 3.978
172 HG LEU 24 HG LEU 24 28.688 2.300 2.931
173 1HD1 LEU 24 HD11 LEU 24 27.921 2.198 0.846
174 2HD1 LEU 24 HD12 LEU 24 26.459 1.474 1.515
175 3HD1 LEU 24 HD13 LEU 24 27.757 0.443 0.914
176 1HD2 LEU 24 HD21 LEU 24 27.365 1.899 4.710
177 2HD2 LEU 24 HD22 LEU 24 27.018 0.241 4.217
178 3HD2 LEU 24 HD23 LEU 24 26.148 1.585 3.476
179 H ARG 25 HN ARG 25 31.762 -0.289 4.500
180 HA ARG 25 HA ARG 25 31.997 2.030 5.995
181 1HB ARG 25 HB2 ARG 25 33.563 -0.520 5.895
182 2HB ARG 25 HB1 ARG 25 34.107 0.795 6.926
183 1HG ARG 25 HG2 ARG 25 31.452 -0.616 7.063
184 2HG ARG 25 HG1 ARG 25 32.786 -0.746 8.211
185 1HD ARG 25 HD2 ARG 25 31.031 1.631 7.663
186 2HD ARG 25 HD1 ARG 25 31.203 0.732 9.169
187 HE ARG 25 HE ARG 25 33.709 1.774 8.478
188 1HH1 ARG 25 HH11 ARG 25 30.568 2.890 9.552
189 2HH1 ARG 25 HH12 ARG 25 31.202 4.332 10.295
190 1HH2 ARG 25 HH21 ARG 25 34.535 3.667 9.426
191 2HH2 ARG 25 HH22 ARG 25 33.452 4.764 10.224
192 H HIS 26 HN HIS 26 34.505 0.549 3.931
193 HA HIS 26 HA HIS 26 36.243 2.790 4.164
194 1HB HIS 26 HB2 HIS 26 36.831 0.339 3.586
195 2HB HIS 26 HB1 HIS 26 36.403 0.781 1.937
196 HD1 HIS 26 HD1 HIS 26 37.848 3.758 3.147
197 HD2 HIS 26 HD2 HIS 26 39.398 0.047 2.068
198 HE1 HIS 26 HE1 HIS 26 40.279 4.154 2.646
199 HE2 HIS 26 HE2 HIS 26 41.228 1.873 2.137
200 H TYR 27 HN TYR 27 33.941 1.731 1.688
201 HA TYR 27 HA TYR 27 34.625 3.628 -0.266
202 1HB TYR 27 HB2 TYR 27 32.985 1.539 -0.300
203 2HB TYR 27 HB1 TYR 27 31.779 2.778 0.032
204 HD1 TYR 27 HD1 TYR 27 31.139 4.362 -1.649
205 HD2 TYR 27 HD2 TYR 27 34.252 1.567 -2.415
206 HE1 TYR 27 HE1 TYR 27 31.035 4.915 -4.039
207 HE2 TYR 27 HE2 TYR 27 34.159 2.114 -4.808
208 HH TYR 27 HH TYR 27 32.378 3.036 -6.415
209 H LEU 28 HN LEU 28 32.108 3.711 2.257
210 HA LEU 28 HA LEU 28 31.342 6.388 1.524
211 1HB LEU 28 HB2 LEU 28 30.569 4.621 3.831
212 2HB LEU 28 HB1 LEU 28 29.959 6.254 3.639
213 HG LEU 28 HG LEU 28 29.291 3.788 2.107
214 1HD1 LEU 28 HD11 LEU 28 27.096 5.277 2.084
215 2HD1 LEU 28 HD12 LEU 28 27.908 6.044 3.449
216 3HD1 LEU 28 HD13 LEU 28 27.561 4.315 3.487
217 1HD2 LEU 28 HD21 LEU 28 29.706 4.779 0.131
218 2HD2 LEU 28 HD22 LEU 28 29.861 6.380 0.856
219 3HD2 LEU 28 HD23 LEU 28 28.263 5.731 0.486
220 H ASN 29 HN ASN 29 33.698 5.056 3.687
221 HA ASN 29 HA ASN 29 33.967 7.403 5.292
222 1HB ASN 29 HB2 ASN 29 35.345 6.105 6.487
223 2HB ASN 29 HB1 ASN 29 35.077 4.824 5.318
224 1HD2 ASN 29 HD21 ASN 29 37.289 7.168 6.526
225 2HD2 ASN 29 HD22 ASN 29 38.647 6.685 5.573
226 H LEU 30 HN LEU 30 35.354 6.303 2.264
227 HA LEU 30 HA LEU 30 37.109 8.608 2.090
228 1HB LEU 30 HB2 LEU 30 36.806 6.061 0.707
229 2HB LEU 30 HB1 LEU 30 37.081 7.392 -0.399
230 HG LEU 30 HG LEU 30 38.884 6.380 1.782
231 1HD1 LEU 30 HD11 LEU 30 40.242 5.720 0.112
232 2HD1 LEU 30 HD12 LEU 30 39.862 7.118 -0.894
233 3HD1 LEU 30 HD13 LEU 30 38.753 5.747 -0.831
234 1HD2 LEU 30 HD21 LEU 30 38.917 8.732 2.141
235 2HD2 LEU 30 HD22 LEU 30 38.960 9.061 0.409
236 3HD2 LEU 30 HD23 LEU 30 40.359 8.339 1.205
237 H VAL 31 HN VAL 31 33.903 7.832 1.304
238 HA VAL 31 HA VAL 31 33.613 9.540 -0.966
239 HB VAL 31 HB VAL 31 32.111 7.517 -0.057
240 1HG1 VAL 31 HG11 VAL 31 29.876 8.932 0.504
241 2HG1 VAL 31 HG12 VAL 31 31.095 9.894 1.338
242 3HG1 VAL 31 HG13 VAL 31 30.909 8.183 1.723
243 1HG2 VAL 31 HG21 VAL 31 31.952 8.384 -2.276
244 2HG2 VAL 31 HG22 VAL 31 31.193 9.867 -1.697
245 3HG2 VAL 31 HG23 VAL 31 30.326 8.335 -1.593
246 H THR 32 HN THR 32 34.332 10.333 2.072
247 HA THR 32 HA THR 32 32.591 12.404 2.801
248 HB THR 32 HB THR 32 34.926 13.308 3.787
249 HG1 THR 32 HG1 THR 32 35.575 10.636 3.988
250 1HG2 THR 32 HG21 THR 32 34.508 11.911 5.763
251 2HG2 THR 32 HG22 THR 32 33.429 10.890 4.810
252 3HG2 THR 32 HG23 THR 32 33.006 12.575 5.114
253 H ARG 33 HN ARG 33 34.976 12.171 0.348
254 HA ARG 33 HA ARG 33 35.413 14.963 -0.085
255 1HB ARG 33 HB2 ARG 33 36.832 12.887 -0.814
256 2HB ARG 33 HB1 ARG 33 35.748 12.861 -2.199
257 1HG ARG 33 HG2 ARG 33 36.922 14.447 -3.191
258 2HG ARG 33 HG1 ARG 33 36.714 15.519 -1.805
259 1HD ARG 33 HD2 ARG 33 38.590 13.751 -0.898
260 2HD ARG 33 HD1 ARG 33 39.011 13.892 -2.605
261 HE ARG 33 HE ARG 33 39.428 16.187 -2.303
262 1HH1 ARG 33 HH11 ARG 33 38.618 14.536 0.682
263 2HH1 ARG 33 HH12 ARG 33 39.210 15.816 1.696
264 1HH2 ARG 33 HH21 ARG 33 40.186 17.866 -0.969
265 2HH2 ARG 33 HH22 ARG 33 40.076 17.710 0.759
266 H GLN 34 HN GLN 34 32.747 13.047 -0.519
267 HA GLN 34 HA GLN 34 30.759 13.280 -1.568
268 1HB GLN 34 HB2 GLN 34 31.914 16.000 -2.110
269 2HB GLN 34 HB1 GLN 34 30.376 15.518 -2.817
270 1HG GLN 34 HG2 GLN 34 30.733 15.131 0.100
271 2HG GLN 34 HG1 GLN 34 30.543 16.779 -0.496
272 1HE2 GLN 34 HE21 GLN 34 28.569 17.500 -0.887
273 2HE2 GLN 34 HE22 GLN 34 27.133 16.533 -0.918
274 H ARG 35 HN ARG 35 33.282 12.319 -2.860
275 HA ARG 35 HA ARG 35 32.255 12.240 -5.604
276 1HB ARG 35 HB2 ARG 35 34.972 13.064 -4.682
277 2HB ARG 35 HB1 ARG 35 34.856 12.110 -6.154
278 1HG ARG 35 HG2 ARG 35 33.446 14.724 -5.654
279 2HG ARG 35 HG1 ARG 35 34.913 14.514 -6.610
280 1HD ARG 35 HD2 ARG 35 33.785 13.271 -8.260
281 2HD ARG 35 HD1 ARG 35 32.379 13.030 -7.227
282 HE ARG 35 HE ARG 35 33.099 15.495 -8.651
283 1HH1 ARG 35 HH11 ARG 35 30.840 13.710 -6.657
284 2HH1 ARG 35 HH12 ARG 35 29.495 14.742 -7.016
285 1HH2 ARG 35 HH21 ARG 35 31.337 16.899 -9.088
286 2HH2 ARG 35 HH22 ARG 35 29.786 16.588 -8.353
287 H TYR 36 HN TYR 36 33.226 10.381 -6.826
288 HA TYR 36 HA TYR 36 33.031 8.042 -5.144
289 1HB TYR 36 HB2 TYR 36 32.919 8.595 -8.064
290 2HB TYR 36 HB1 TYR 36 33.429 6.984 -7.568
291 HD1 TYR 36 HD1 TYR 36 31.716 5.474 -7.794
292 HD2 TYR 36 HD2 TYR 36 30.816 9.366 -6.322
293 HE1 TYR 36 HE1 TYR 36 29.369 4.814 -7.498
294 HE2 TYR 36 HE2 TYR 36 28.465 8.714 -6.022
295 HH TYR 36 HH TYR 36 26.901 7.137 -6.628
296 1HN NH2 37 H1 NH2 37 36.302 6.775 -5.249
297 2HN NH2 37 H2 NH2 37 34.646 6.474 -4.867
Start of MODEL 12
1 1H TYR 1 HT1 TYR 1 34.540 5.915 -9.928
2 2H TYR 1 HT2 TYR 1 35.261 6.229 -11.424
3 3H TYR 1 HT3 TYR 1 35.176 7.453 -10.255
4 HA TYR 1 HA TYR 1 37.034 5.282 -10.559
5 1HB TYR 1 HB2 TYR 1 37.091 8.077 -10.111
6 2HB TYR 1 HB1 TYR 1 37.882 7.314 -8.731
7 HD1 TYR 1 HD1 TYR 1 39.687 5.552 -9.255
8 HD2 TYR 1 HD2 TYR 1 38.262 8.369 -12.105
9 HE1 TYR 1 HE1 TYR 1 41.714 5.208 -10.597
10 HE2 TYR 1 HE2 TYR 1 40.287 8.031 -13.458
11 HH TYR 1 HH TYR 1 42.013 6.313 -13.799
12 HA PRO 2 HA PRO 2 36.267 4.891 -5.766
13 1HB PRO 2 HB2 PRO 2 33.754 5.677 -4.991
14 2HB PRO 2 HB1 PRO 2 35.200 6.669 -4.779
15 1HG PRO 2 HG2 PRO 2 33.115 6.786 -6.922
16 2HG PRO 2 HG1 PRO 2 33.904 8.117 -6.054
17 1HD PRO 2 HD2 PRO 2 34.649 7.428 -8.535
18 2HD PRO 2 HD1 PRO 2 35.834 7.968 -7.328
19 H ILE 3 HN ILE 3 34.868 3.207 -4.748
20 HA ILE 3 HA ILE 3 33.782 1.570 -6.882
21 HB ILE 3 HB ILE 3 35.598 0.648 -5.510
22 1HG1 ILE 3 HG12 ILE 3 34.363 -1.515 -4.811
23 2HG1 ILE 3 HG11 ILE 3 32.928 -0.735 -5.470
24 1HG2 ILE 3 HG21 ILE 3 34.125 -0.041 -3.143
25 2HG2 ILE 3 HG22 ILE 3 34.220 1.708 -3.342
26 3HG2 ILE 3 HG23 ILE 3 35.696 0.742 -3.312
27 1HD1 ILE 3 HD11 ILE 3 33.636 -1.887 -7.295
28 2HD1 ILE 3 HD12 ILE 3 35.337 -1.765 -6.854
29 3HD1 ILE 3 HD13 ILE 3 34.507 -0.374 -7.547
30 H LYS 4 HN LYS 4 32.550 0.319 -4.119
31 HA LYS 4 HA LYS 4 30.217 1.632 -3.524
32 1HB LYS 4 HB2 LYS 4 30.202 0.892 -6.245
33 2HB LYS 4 HB1 LYS 4 29.182 -0.288 -5.436
34 1HG LYS 4 HG2 LYS 4 27.730 1.411 -4.621
35 2HG LYS 4 HG1 LYS 4 28.841 2.684 -5.133
36 1HD LYS 4 HD2 LYS 4 27.073 2.580 -6.736
37 2HD LYS 4 HD1 LYS 4 28.516 1.901 -7.489
38 1HE LYS 4 HE2 LYS 4 27.141 -0.213 -6.192
39 2HE LYS 4 HE1 LYS 4 25.956 0.704 -7.124
40 1HZ LYS 4 HZ1 LYS 4 27.790 -1.157 -8.073
41 2HZ LYS 4 HZ2 LYS 4 28.287 0.352 -8.666
42 3HZ LYS 4 HZ3 LYS 4 26.718 -0.203 -8.977
43 HA PRO 5 HA PRO 5 29.891 -2.238 -1.279
44 1HB PRO 5 HB2 PRO 5 27.093 -1.719 -0.716
45 2HB PRO 5 HB1 PRO 5 28.471 -1.639 0.383
46 1HG PRO 5 HG2 PRO 5 27.069 0.555 -0.422
47 2HG PRO 5 HG1 PRO 5 28.777 0.601 0.046
48 1HD PRO 5 HD2 PRO 5 27.560 0.565 -2.689
49 2HD PRO 5 HD1 PRO 5 28.953 1.489 -2.084
50 H GLU 6 HN GLU 6 28.985 -4.315 -1.518
51 HA GLU 6 HA GLU 6 28.072 -5.030 -4.055
52 1HB GLU 6 HB2 GLU 6 28.136 -6.424 -1.405
53 2HB GLU 6 HB1 GLU 6 27.331 -7.181 -2.773
54 1HG GLU 6 HG2 GLU 6 29.337 -8.049 -3.194
55 2HG GLU 6 HG1 GLU 6 29.695 -6.466 -3.884
56 H ALA 7 HN ALA 7 26.315 -4.255 -1.126
57 HA ALA 7 HA ALA 7 24.108 -4.141 -0.587
58 1HB ALA 7 HB1 ALA 7 23.912 -2.224 -1.843
59 2HB ALA 7 HB2 ALA 7 22.674 -3.242 -2.577
60 3HB ALA 7 HB3 ALA 7 24.243 -3.052 -3.364
61 HA PRO 8 HA PRO 8 23.525 -8.307 -2.624
62 1HB PRO 8 HB2 PRO 8 23.137 -9.248 0.130
63 2HB PRO 8 HB1 PRO 8 24.257 -9.824 -1.106
64 1HG PRO 8 HG2 PRO 8 25.115 -8.463 1.037
65 2HG PRO 8 HG1 PRO 8 25.875 -8.276 -0.556
66 1HD PRO 8 HD2 PRO 8 23.882 -6.497 0.811
67 2HD PRO 8 HD1 PRO 8 25.352 -6.057 -0.087
68 H GLY 9 HN GLY 9 21.638 -6.698 -0.114
69 1HA GLY 9 HA2 GLY 9 19.210 -6.780 -1.299
70 2HA GLY 9 HA1 GLY 9 19.329 -8.362 -0.539
71 H GLU 10 HN GLU 10 17.895 -8.170 1.093
72 HA GLU 10 HA GLU 10 18.231 -5.877 2.899
73 1HB GLU 10 HB2 GLU 10 15.970 -6.511 1.691
74 2HB GLU 10 HB1 GLU 10 15.839 -7.670 3.004
75 1HG GLU 10 HG2 GLU 10 16.355 -5.555 4.477
76 2HG GLU 10 HG1 GLU 10 15.720 -4.706 3.067
77 H ASP 11 HN ASP 11 18.767 -9.178 2.575
78 HA ASP 11 HA ASP 11 19.268 -9.416 5.458
79 1HB ASP 11 HB2 ASP 11 17.176 -10.549 5.177
80 2HB ASP 11 HB1 ASP 11 17.751 -11.380 3.735
81 H ALA 12 HN ALA 12 19.540 -11.337 2.482
82 HA ALA 12 HA ALA 12 21.268 -12.377 1.462
83 1HB ALA 12 HB1 ALA 12 23.175 -10.576 2.917
84 2HB ALA 12 HB2 ALA 12 22.136 -9.968 1.625
85 3HB ALA 12 HB3 ALA 12 23.303 -11.250 1.293
86 H SER 13 HN SER 13 23.679 -11.748 3.771
87 HA SER 13 HA SER 13 23.297 -14.010 5.457
88 1HB SER 13 HB2 SER 13 25.166 -15.370 4.571
89 2HB SER 13 HB1 SER 13 23.891 -15.191 3.363
90 HG SER 13 HG SER 13 25.229 -14.143 2.114
91 HA PRO 14 HA PRO 14 26.317 -11.880 7.945
92 1HB PRO 14 HB2 PRO 14 28.110 -14.005 8.427
93 2HB PRO 14 HB1 PRO 14 26.766 -13.500 9.452
94 1HG PRO 14 HG2 PRO 14 26.919 -15.713 7.482
95 2HG PRO 14 HG1 PRO 14 25.964 -15.592 8.971
96 1HD PRO 14 HD2 PRO 14 24.846 -15.355 6.534
97 2HD PRO 14 HD1 PRO 14 24.259 -14.430 7.932
98 H GLU 15 HN GLU 15 27.724 -14.129 5.546
99 HA GLU 15 HA GLU 15 30.226 -12.805 5.370
100 1HB GLU 15 HB2 GLU 15 28.907 -15.034 4.102
101 2HB GLU 15 HB1 GLU 15 29.724 -14.052 2.893
102 1HG GLU 15 HG2 GLU 15 31.451 -14.423 5.143
103 2HG GLU 15 HG1 GLU 15 30.835 -15.984 4.606
104 H GLU 16 HN GLU 16 27.263 -12.555 3.466
105 HA GLU 16 HA GLU 16 28.345 -10.776 1.520
106 1HB GLU 16 HB2 GLU 16 25.708 -11.985 2.116
107 2HB GLU 16 HB1 GLU 16 25.673 -10.447 1.266
108 1HG GLU 16 HG2 GLU 16 26.740 -11.303 -0.598
109 2HG GLU 16 HG1 GLU 16 27.418 -12.665 0.295
110 H LEU 17 HN LEU 17 26.314 -10.439 4.395
111 HA LEU 17 HA LEU 17 25.885 -7.655 4.141
112 1HB LEU 17 HB2 LEU 17 24.780 -9.453 5.723
113 2HB LEU 17 HB1 LEU 17 26.046 -8.946 6.829
114 HG LEU 17 HG LEU 17 24.833 -6.592 5.825
115 1HD1 LEU 17 HD11 LEU 17 22.574 -6.839 6.033
116 2HD1 LEU 17 HD12 LEU 17 22.713 -8.212 7.134
117 3HD1 LEU 17 HD13 LEU 17 22.986 -8.434 5.405
118 1HD2 LEU 17 HD21 LEU 17 24.164 -6.364 8.225
119 2HD2 LEU 17 HD22 LEU 17 25.875 -6.703 7.966
120 3HD2 LEU 17 HD23 LEU 17 24.791 -7.990 8.493
121 H ASN 18 HN ASN 18 28.350 -9.586 5.796
122 HA ASN 18 HA ASN 18 29.803 -7.452 6.906
123 1HB ASN 18 HB2 ASN 18 30.793 -9.281 7.767
124 2HB ASN 18 HB1 ASN 18 30.201 -10.300 6.462
125 1HD2 ASN 18 HD21 ASN 18 31.511 -10.697 4.686
126 2HD2 ASN 18 HD22 ASN 18 33.201 -10.315 4.672
127 H ARG 19 HN ARG 19 29.845 -8.915 3.684
128 HA ARG 19 HA ARG 19 32.171 -7.536 2.805
129 1HB ARG 19 HB2 ARG 19 29.956 -8.995 1.436
130 2HB ARG 19 HB1 ARG 19 31.053 -8.006 0.475
131 1HG ARG 19 HG2 ARG 19 32.834 -9.354 1.951
132 2HG ARG 19 HG1 ARG 19 31.530 -10.539 1.892
133 1HD ARG 19 HD2 ARG 19 31.965 -9.391 -0.708
134 2HD ARG 19 HD1 ARG 19 33.473 -10.035 -0.059
135 HE ARG 19 HE ARG 19 31.428 -11.545 -1.163
136 1HH1 ARG 19 HH11 ARG 19 33.408 -11.574 1.747
137 2HH1 ARG 19 HH12 ARG 19 33.153 -13.267 2.053
138 1HH2 ARG 19 HH21 ARG 19 31.142 -13.777 -0.775
139 2HH2 ARG 19 HH22 ARG 19 31.862 -14.507 0.635
140 H TYR 20 HN TYR 20 28.720 -6.886 2.186
141 HA TYR 20 HA TYR 20 29.166 -4.437 0.864
142 1HB TYR 20 HB2 TYR 20 26.982 -4.687 0.450
143 2HB TYR 20 HB1 TYR 20 26.947 -6.061 1.547
144 HD1 TYR 20 HD1 TYR 20 26.263 -5.724 3.917
145 HD2 TYR 20 HD2 TYR 20 26.005 -2.595 1.042
146 HE1 TYR 20 HE1 TYR 20 24.736 -4.494 5.401
147 HE2 TYR 20 HE2 TYR 20 24.476 -1.360 2.519
148 HH TYR 20 HH TYR 20 23.179 -2.780 5.430
149 H TYR 21 HN TYR 21 29.003 -5.333 4.182
150 HA TYR 21 HA TYR 21 28.524 -2.882 5.432
151 1HB TYR 21 HB2 TYR 21 28.936 -5.424 6.269
152 2HB TYR 21 HB1 TYR 21 30.489 -4.709 6.680
153 HD1 TYR 21 HD1 TYR 21 30.716 -3.245 8.501
154 HD2 TYR 21 HD2 TYR 21 26.861 -4.518 7.269
155 HE1 TYR 21 HE1 TYR 21 29.774 -2.347 10.567
156 HE2 TYR 21 HE2 TYR 21 25.888 -3.622 9.330
157 HH TYR 21 HH TYR 21 26.601 -3.054 11.610
158 H ALA 22 HN ALA 22 31.636 -4.492 4.823
159 HA ALA 22 HA ALA 22 33.088 -2.221 5.776
160 1HB ALA 22 HB1 ALA 22 33.962 -4.376 6.233
161 2HB ALA 22 HB2 ALA 22 35.079 -3.569 5.132
162 3HB ALA 22 HB3 ALA 22 33.978 -4.802 4.520
163 H SER 23 HN SER 23 32.089 -3.366 2.616
164 HA SER 23 HA SER 23 33.881 -1.735 1.129
165 1HB SER 23 HB2 SER 23 32.030 -1.969 -0.676
166 2HB SER 23 HB1 SER 23 32.882 -3.422 -0.153
167 HG SER 23 HG SER 23 31.124 -4.144 0.783
168 H LEU 24 HN LEU 24 30.554 -1.277 2.261
169 HA LEU 24 HA LEU 24 30.221 1.354 1.332
170 1HB LEU 24 HB2 LEU 24 28.225 0.350 1.920
171 2HB LEU 24 HB1 LEU 24 28.899 -0.391 3.356
172 HG LEU 24 HG LEU 24 29.005 2.320 3.922
173 1HD1 LEU 24 HD11 LEU 24 27.146 2.009 1.845
174 2HD1 LEU 24 HD12 LEU 24 27.403 3.426 2.870
175 3HD1 LEU 24 HD13 LEU 24 26.210 2.205 3.326
176 1HD2 LEU 24 HD21 LEU 24 28.072 1.523 5.769
177 2HD2 LEU 24 HD22 LEU 24 27.893 -0.033 4.960
178 3HD2 LEU 24 HD23 LEU 24 26.582 1.143 4.906
179 H ARG 25 HN ARG 25 31.469 -0.027 4.324
180 HA ARG 25 HA ARG 25 31.782 2.242 5.867
181 1HB ARG 25 HB2 ARG 25 32.667 -0.429 5.951
182 2HB ARG 25 HB1 ARG 25 34.116 0.556 6.100
183 1HG ARG 25 HG2 ARG 25 33.414 0.179 8.293
184 2HG ARG 25 HG1 ARG 25 32.878 1.819 7.927
185 1HD ARG 25 HD2 ARG 25 30.869 -0.107 7.180
186 2HD ARG 25 HD1 ARG 25 31.325 -0.306 8.872
187 HE ARG 25 HE ARG 25 30.688 2.387 7.912
188 1HH1 ARG 25 HH11 ARG 25 29.796 -0.409 9.821
189 2HH1 ARG 25 HH12 ARG 25 28.531 0.417 10.682
190 1HH2 ARG 25 HH21 ARG 25 29.051 3.485 9.063
191 2HH2 ARG 25 HH22 ARG 25 28.135 2.642 10.273
192 H HIS 26 HN HIS 26 34.103 0.873 3.541
193 HA HIS 26 HA HIS 26 35.916 3.077 3.887
194 1HB HIS 26 HB2 HIS 26 36.225 0.494 3.048
195 2HB HIS 26 HB1 HIS 26 36.298 1.374 1.523
196 HD1 HIS 26 HD1 HIS 26 37.625 3.746 3.717
197 HD2 HIS 26 HD2 HIS 26 39.072 0.136 2.230
198 HE1 HIS 26 HE1 HIS 26 40.127 3.860 3.964
199 HE2 HIS 26 HE2 HIS 26 40.981 1.663 3.073
200 H TYR 27 HN TYR 27 33.628 2.037 1.380
201 HA TYR 27 HA TYR 27 34.329 3.979 -0.531
202 1HB TYR 27 HB2 TYR 27 33.001 2.136 -1.254
203 2HB TYR 27 HB1 TYR 27 31.767 2.461 -0.043
204 HD1 TYR 27 HD1 TYR 27 29.803 2.990 -1.103
205 HD2 TYR 27 HD2 TYR 27 33.422 4.650 -2.597
206 HE1 TYR 27 HE1 TYR 27 28.523 4.287 -2.746
207 HE2 TYR 27 HE2 TYR 27 32.149 5.956 -4.243
208 HH TYR 27 HH TYR 27 28.649 6.083 -4.179
209 H LEU 28 HN LEU 28 31.967 4.010 2.120
210 HA LEU 28 HA LEU 28 31.026 6.630 1.614
211 1HB LEU 28 HB2 LEU 28 30.882 4.704 3.806
212 2HB LEU 28 HB1 LEU 28 30.901 6.367 4.357
213 HG LEU 28 HG LEU 28 28.912 6.875 3.136
214 1HD1 LEU 28 HD11 LEU 28 29.453 4.281 1.792
215 2HD1 LEU 28 HD12 LEU 28 28.995 5.837 1.099
216 3HD1 LEU 28 HD13 LEU 28 27.791 4.852 1.930
217 1HD2 LEU 28 HD21 LEU 28 28.904 4.415 4.806
218 2HD2 LEU 28 HD22 LEU 28 27.409 4.923 4.023
219 3HD2 LEU 28 HD23 LEU 28 28.229 6.010 5.144
220 H ASN 29 HN ASN 29 33.534 5.498 3.895
221 HA ASN 29 HA ASN 29 34.078 8.155 4.783
222 1HB ASN 29 HB2 ASN 29 35.195 7.152 6.458
223 2HB ASN 29 HB1 ASN 29 34.474 5.677 5.835
224 1HD2 ASN 29 HD21 ASN 29 37.292 7.210 6.681
225 2HD2 ASN 29 HD22 ASN 29 38.424 6.113 5.951
226 H LEU 30 HN LEU 30 35.009 6.601 1.980
227 HA LEU 30 HA LEU 30 37.711 7.187 1.789
228 1HB LEU 30 HB2 LEU 30 37.486 6.024 -0.084
229 2HB LEU 30 HB1 LEU 30 35.751 6.056 0.141
230 HG LEU 30 HG LEU 30 36.730 8.504 -1.094
231 1HD1 LEU 30 HD11 LEU 30 36.864 6.291 -3.019
232 2HD1 LEU 30 HD12 LEU 30 38.211 6.387 -1.886
233 3HD1 LEU 30 HD13 LEU 30 37.821 7.767 -2.912
234 1HD2 LEU 30 HD21 LEU 30 34.366 7.729 -0.959
235 2HD2 LEU 30 HD22 LEU 30 34.781 6.420 -2.071
236 3HD2 LEU 30 HD23 LEU 30 34.907 8.099 -2.601
237 H VAL 31 HN VAL 31 34.991 9.153 0.642
238 HA VAL 31 HA VAL 31 36.893 11.392 0.395
239 HB VAL 31 HB VAL 31 35.008 12.499 -0.920
240 1HG1 VAL 31 HG11 VAL 31 37.029 10.739 -1.712
241 2HG1 VAL 31 HG12 VAL 31 36.208 11.944 -2.704
242 3HG1 VAL 31 HG13 VAL 31 35.610 10.285 -2.656
243 1HG2 VAL 31 HG21 VAL 31 33.898 9.923 -1.735
244 2HG2 VAL 31 HG22 VAL 31 33.083 11.445 -1.369
245 3HG2 VAL 31 HG23 VAL 31 33.529 10.346 -0.062
246 H THR 32 HN THR 32 35.940 10.481 2.880
247 HA THR 32 HA THR 32 34.682 10.884 4.724
248 HB THR 32 HB THR 32 34.434 13.161 5.454
249 HG1 THR 32 HG1 THR 32 34.663 13.767 2.703
250 1HG2 THR 32 HG21 THR 32 36.945 12.711 3.860
251 2HG2 THR 32 HG22 THR 32 36.683 12.429 5.582
252 3HG2 THR 32 HG23 THR 32 36.726 14.077 4.957
253 H ARG 33 HN ARG 33 33.368 10.211 2.217
254 HA ARG 33 HA ARG 33 31.444 10.413 0.980
255 1HB ARG 33 HB2 ARG 33 30.919 9.185 3.236
256 2HB ARG 33 HB1 ARG 33 29.942 10.613 3.560
257 1HG ARG 33 HG2 ARG 33 29.431 9.603 0.912
258 2HG ARG 33 HG1 ARG 33 29.208 8.342 2.124
259 1HD ARG 33 HD2 ARG 33 27.436 9.389 3.086
260 2HD ARG 33 HD1 ARG 33 28.058 11.001 2.731
261 HE ARG 33 HE ARG 33 26.480 9.296 0.948
262 1HH1 ARG 33 HH11 ARG 33 28.181 12.317 1.475
263 2HH1 ARG 33 HH12 ARG 33 27.415 13.122 0.139
264 1HH2 ARG 33 HH21 ARG 33 25.471 10.349 -0.802
265 2HH2 ARG 33 HH22 ARG 33 25.867 12.015 -1.153
266 H GLN 34 HN GLN 34 32.483 12.748 0.790
267 HA GLN 34 HA GLN 34 32.017 15.127 1.424
268 1HB GLN 34 HB2 GLN 34 32.292 14.062 -1.033
269 2HB GLN 34 HB1 GLN 34 30.700 14.789 -1.196
270 1HG GLN 34 HG2 GLN 34 31.513 16.879 -1.192
271 2HG GLN 34 HG1 GLN 34 32.724 16.515 0.037
272 1HE2 GLN 34 HE21 GLN 34 32.159 17.081 -3.236
273 2HE2 GLN 34 HE22 GLN 34 33.721 16.631 -3.843
274 H ARG 35 HN ARG 35 30.535 15.821 2.842
275 HA ARG 35 HA ARG 35 27.742 15.894 1.937
276 1HB ARG 35 HB2 ARG 35 27.166 15.430 4.424
277 2HB ARG 35 HB1 ARG 35 27.583 14.084 3.374
278 1HG ARG 35 HG2 ARG 35 29.522 13.651 4.461
279 2HG ARG 35 HG1 ARG 35 29.797 15.344 4.875
280 1HD ARG 35 HD2 ARG 35 27.452 14.543 6.216
281 2HD ARG 35 HD1 ARG 35 28.647 13.267 6.461
282 HE ARG 35 HE ARG 35 30.083 14.834 7.501
283 1HH1 ARG 35 HH11 ARG 35 26.918 16.125 6.713
284 2HH1 ARG 35 HH12 ARG 35 27.098 17.524 7.725
285 1HH2 ARG 35 HH21 ARG 35 30.296 16.653 8.884
286 2HH2 ARG 35 HH22 ARG 35 29.012 17.831 8.962
287 H TYR 36 HN TYR 36 26.443 17.238 3.664
288 HA TYR 36 HA TYR 36 27.556 19.875 3.588
289 1HB TYR 36 HB2 TYR 36 24.968 18.652 4.413
290 2HB TYR 36 HB1 TYR 36 25.351 20.255 5.028
291 HD1 TYR 36 HD1 TYR 36 25.962 22.058 3.284
292 HD2 TYR 36 HD2 TYR 36 24.026 18.399 2.298
293 HE1 TYR 36 HE1 TYR 36 25.149 23.057 1.187
294 HE2 TYR 36 HE2 TYR 36 23.209 19.388 0.199
295 HH TYR 36 HH TYR 36 24.248 21.556 -1.339
296 1HN NH2 37 H1 NH2 37 29.247 19.489 6.718
297 2HN NH2 37 H2 NH2 37 29.457 19.338 5.009
Start of MODEL 13
1 1H TYR 1 HT1 TYR 1 33.513 -4.165 -5.423
2 2H TYR 1 HT2 TYR 1 34.761 -4.236 -6.572
3 3H TYR 1 HT3 TYR 1 33.146 -4.164 -7.079
4 HA TYR 1 HA TYR 1 34.816 -2.051 -5.908
5 1HB TYR 1 HB2 TYR 1 33.700 -2.671 -8.489
6 2HB TYR 1 HB1 TYR 1 33.067 -1.129 -7.930
7 HD1 TYR 1 HD1 TYR 1 35.183 0.221 -6.629
8 HD2 TYR 1 HD2 TYR 1 35.411 -2.391 -9.978
9 HE1 TYR 1 HE1 TYR 1 37.264 1.323 -7.339
10 HE2 TYR 1 HE2 TYR 1 37.492 -1.300 -10.697
11 HH TYR 1 HH TYR 1 38.649 1.623 -9.212
12 HA PRO 2 HA PRO 2 31.157 -1.036 -3.473
13 1HB PRO 2 HB2 PRO 2 32.335 0.978 -2.081
14 2HB PRO 2 HB1 PRO 2 32.554 -0.726 -1.670
15 1HG PRO 2 HG2 PRO 2 34.362 1.105 -3.196
16 2HG PRO 2 HG1 PRO 2 34.774 -0.111 -1.973
17 1HD PRO 2 HD2 PRO 2 35.049 -0.545 -4.640
18 2HD PRO 2 HD1 PRO 2 34.695 -1.841 -3.485
19 H ILE 3 HN ILE 3 30.023 -0.263 -5.278
20 HA ILE 3 HA ILE 3 30.627 2.351 -6.371
21 HB ILE 3 HB ILE 3 30.015 0.773 -7.997
22 1HG1 ILE 3 HG12 ILE 3 27.546 1.551 -8.612
23 2HG1 ILE 3 HG11 ILE 3 27.865 2.742 -7.354
24 1HG2 ILE 3 HG21 ILE 3 27.372 -0.004 -7.146
25 2HG2 ILE 3 HG22 ILE 3 28.586 -0.399 -5.923
26 3HG2 ILE 3 HG23 ILE 3 28.759 -1.007 -7.575
27 1HD1 ILE 3 HD11 ILE 3 28.563 3.874 -9.210
28 2HD1 ILE 3 HD12 ILE 3 29.129 2.416 -10.022
29 3HD1 ILE 3 HD13 ILE 3 30.074 3.117 -8.710
30 H LYS 4 HN LYS 4 27.859 0.802 -4.785
31 HA LYS 4 HA LYS 4 27.128 2.778 -3.034
32 1HB LYS 4 HB2 LYS 4 26.786 3.992 -5.339
33 2HB LYS 4 HB1 LYS 4 25.307 3.044 -5.407
34 1HG LYS 4 HG2 LYS 4 24.836 4.008 -3.064
35 2HG LYS 4 HG1 LYS 4 26.074 5.197 -3.476
36 1HD LYS 4 HD2 LYS 4 23.790 5.981 -3.999
37 2HD LYS 4 HD1 LYS 4 24.818 5.881 -5.429
38 1HE LYS 4 HE2 LYS 4 23.802 3.539 -5.734
39 2HE LYS 4 HE1 LYS 4 22.579 4.073 -4.585
40 1HZ LYS 4 HZ1 LYS 4 21.534 5.065 -6.237
41 2HZ LYS 4 HZ2 LYS 4 22.749 4.617 -7.336
42 3HZ LYS 4 HZ3 LYS 4 22.869 6.083 -6.493
43 HA PRO 5 HA PRO 5 24.652 -1.156 -3.283
44 1HB PRO 5 HB2 PRO 5 25.927 -2.239 -0.991
45 2HB PRO 5 HB1 PRO 5 26.142 -2.734 -2.667
46 1HG PRO 5 HG2 PRO 5 28.080 -1.527 -1.075
47 2HG PRO 5 HG1 PRO 5 28.121 -1.635 -2.842
48 1HD PRO 5 HD2 PRO 5 27.311 0.643 -1.095
49 2HD PRO 5 HD1 PRO 5 28.152 0.664 -2.661
50 H GLU 6 HN GLU 6 22.686 -0.862 -2.484
51 HA GLU 6 HA GLU 6 22.191 0.575 -0.054
52 1HB GLU 6 HB2 GLU 6 20.090 -1.122 -1.351
53 2HB GLU 6 HB1 GLU 6 19.936 0.459 -0.602
54 1HG GLU 6 HG2 GLU 6 20.220 1.507 -2.535
55 2HG GLU 6 HG1 GLU 6 21.635 0.535 -2.942
56 H ALA 7 HN ALA 7 21.243 -2.705 -1.030
57 HA ALA 7 HA ALA 7 22.349 -3.961 1.272
58 1HB ALA 7 HB1 ALA 7 19.996 -2.751 1.873
59 2HB ALA 7 HB2 ALA 7 20.579 -4.217 2.660
60 3HB ALA 7 HB3 ALA 7 19.424 -4.331 1.335
61 HA PRO 8 HA PRO 8 21.761 -7.224 -1.728
62 1HB PRO 8 HB2 PRO 8 22.928 -9.227 -0.350
63 2HB PRO 8 HB1 PRO 8 23.867 -7.932 -1.101
64 1HG PRO 8 HG2 PRO 8 23.099 -8.301 1.761
65 2HG PRO 8 HG1 PRO 8 24.616 -7.691 1.075
66 1HD PRO 8 HD2 PRO 8 22.606 -6.104 2.103
67 2HD PRO 8 HD1 PRO 8 23.822 -5.561 0.934
68 H GLY 9 HN GLY 9 19.963 -8.352 -2.092
69 1HA GLY 9 HA2 GLY 9 18.482 -9.403 0.245
70 2HA GLY 9 HA1 GLY 9 17.718 -8.843 -1.239
71 H GLU 10 HN GLU 10 20.028 -10.083 -2.709
72 HA GLU 10 HA GLU 10 18.833 -12.633 -3.175
73 1HB GLU 10 HB2 GLU 10 21.524 -11.841 -4.236
74 2HB GLU 10 HB1 GLU 10 20.271 -12.800 -5.008
75 1HG GLU 10 HG2 GLU 10 20.016 -10.895 -6.192
76 2HG GLU 10 HG1 GLU 10 18.949 -10.504 -4.845
77 H ASP 11 HN ASP 11 19.040 -13.635 -1.130
78 HA ASP 11 HA ASP 11 19.925 -15.265 0.195
79 1HB ASP 11 HB2 ASP 11 21.208 -15.948 -1.888
80 2HB ASP 11 HB1 ASP 11 22.556 -15.008 -1.260
81 H ALA 12 HN ALA 12 22.374 -12.790 -0.509
82 HA ALA 12 HA ALA 12 23.578 -11.397 0.809
83 1HB ALA 12 HB1 ALA 12 21.597 -11.742 3.020
84 2HB ALA 12 HB2 ALA 12 21.154 -10.902 1.533
85 3HB ALA 12 HB3 ALA 12 22.482 -10.299 2.524
86 H SER 13 HN SER 13 22.468 -12.763 3.778
87 HA SER 13 HA SER 13 23.409 -14.050 5.381
88 1HB SER 13 HB2 SER 13 25.200 -15.049 3.156
89 2HB SER 13 HB1 SER 13 25.051 -15.782 4.757
90 HG SER 13 HG SER 13 22.824 -15.381 3.042
91 HA PRO 14 HA PRO 14 26.610 -11.698 7.139
92 1HB PRO 14 HB2 PRO 14 27.944 -13.421 8.745
93 2HB PRO 14 HB1 PRO 14 26.288 -12.893 9.069
94 1HG PRO 14 HG2 PRO 14 27.251 -15.425 7.787
95 2HG PRO 14 HG1 PRO 14 26.002 -15.208 9.029
96 1HD PRO 14 HD2 PRO 14 25.397 -15.548 6.419
97 2HD PRO 14 HD1 PRO 14 24.419 -14.527 7.494
98 H GLU 15 HN GLU 15 27.414 -12.891 4.527
99 HA GLU 15 HA GLU 15 30.293 -12.455 4.925
100 1HB GLU 15 HB2 GLU 15 29.279 -14.873 4.127
101 2HB GLU 15 HB1 GLU 15 29.597 -14.090 2.585
102 1HG GLU 15 HG2 GLU 15 31.620 -14.380 4.797
103 2HG GLU 15 HG1 GLU 15 31.475 -15.479 3.426
104 H GLU 16 HN GLU 16 27.687 -12.536 2.522
105 HA GLU 16 HA GLU 16 28.891 -10.601 0.822
106 1HB GLU 16 HB2 GLU 16 26.009 -11.509 1.023
107 2HB GLU 16 HB1 GLU 16 26.650 -10.479 -0.249
108 1HG GLU 16 HG2 GLU 16 27.427 -13.331 0.317
109 2HG GLU 16 HG1 GLU 16 26.458 -12.750 -1.035
110 H LEU 17 HN LEU 17 26.370 -10.538 3.315
111 HA LEU 17 HA LEU 17 25.955 -7.724 3.163
112 1HB LEU 17 HB2 LEU 17 24.699 -9.828 4.451
113 2HB LEU 17 HB1 LEU 17 25.425 -8.930 5.772
114 HG LEU 17 HG LEU 17 24.004 -7.244 3.840
115 1HD1 LEU 17 HD11 LEU 17 22.275 -8.678 3.612
116 2HD1 LEU 17 HD12 LEU 17 21.832 -8.035 5.192
117 3HD1 LEU 17 HD13 LEU 17 22.684 -9.576 5.076
118 1HD2 LEU 17 HD21 LEU 17 24.582 -6.098 5.724
119 2HD2 LEU 17 HD22 LEU 17 24.391 -7.503 6.771
120 3HD2 LEU 17 HD23 LEU 17 22.967 -6.633 6.194
121 H ASN 18 HN ASN 18 28.082 -9.828 4.975
122 HA ASN 18 HA ASN 18 29.068 -7.866 6.774
123 1HB ASN 18 HB2 ASN 18 29.322 -10.279 7.182
124 2HB ASN 18 HB1 ASN 18 30.377 -10.410 5.779
125 1HD2 ASN 18 HD21 ASN 18 32.278 -10.940 6.642
126 2HD2 ASN 18 HD22 ASN 18 33.110 -10.033 7.856
127 H ARG 19 HN ARG 19 30.246 -9.127 3.670
128 HA ARG 19 HA ARG 19 32.601 -7.561 3.603
129 1HB ARG 19 HB2 ARG 19 31.321 -9.451 1.923
130 2HB ARG 19 HB1 ARG 19 31.667 -8.027 0.949
131 1HG ARG 19 HG2 ARG 19 33.973 -8.177 1.357
132 2HG ARG 19 HG1 ARG 19 33.746 -9.297 2.699
133 1HD ARG 19 HD2 ARG 19 34.609 -10.331 0.587
134 2HD ARG 19 HD1 ARG 19 33.141 -11.063 1.233
135 HE ARG 19 HE ARG 19 33.189 -9.185 -1.051
136 1HH1 ARG 19 HH11 ARG 19 31.936 -12.038 0.570
137 2HH1 ARG 19 HH12 ARG 19 30.707 -12.327 -0.632
138 1HH2 ARG 19 HH21 ARG 19 31.579 -9.580 -2.619
139 2HH2 ARG 19 HH22 ARG 19 30.484 -10.917 -2.411
140 H TYR 20 HN TYR 20 29.436 -7.080 2.051
141 HA TYR 20 HA TYR 20 30.043 -4.577 0.921
142 1HB TYR 20 HB2 TYR 20 28.032 -4.915 -0.003
143 2HB TYR 20 HB1 TYR 20 27.787 -6.303 1.048
144 HD1 TYR 20 HD1 TYR 20 26.555 -6.018 3.187
145 HD2 TYR 20 HD2 TYR 20 26.895 -2.858 0.367
146 HE1 TYR 20 HE1 TYR 20 24.700 -4.832 4.298
147 HE2 TYR 20 HE2 TYR 20 25.046 -1.664 1.459
148 HH TYR 20 HH TYR 20 23.206 -2.039 2.881
149 H TYR 21 HN TYR 21 28.990 -5.540 4.092
150 HA TYR 21 HA TYR 21 28.095 -3.156 5.191
151 1HB TYR 21 HB2 TYR 21 28.415 -5.652 6.112
152 2HB TYR 21 HB1 TYR 21 29.826 -4.906 6.854
153 HD1 TYR 21 HD1 TYR 21 26.141 -4.644 6.573
154 HD2 TYR 21 HD2 TYR 21 29.626 -3.624 8.788
155 HE1 TYR 21 HE1 TYR 21 24.729 -3.822 8.398
156 HE2 TYR 21 HE2 TYR 21 28.232 -2.797 10.619
157 HH TYR 21 HH TYR 21 26.092 -2.124 11.154
158 H ALA 22 HN ALA 22 31.346 -4.544 5.546
159 HA ALA 22 HA ALA 22 32.410 -2.148 6.644
160 1HB ALA 22 HB1 ALA 22 33.786 -4.597 5.564
161 2HB ALA 22 HB2 ALA 22 33.372 -4.252 7.247
162 3HB ALA 22 HB3 ALA 22 34.599 -3.285 6.421
163 H SER 23 HN SER 23 32.248 -3.449 3.384
164 HA SER 23 HA SER 23 34.075 -1.651 2.193
165 1HB SER 23 HB2 SER 23 31.689 -3.065 0.978
166 2HB SER 23 HB1 SER 23 32.946 -2.236 0.061
167 HG SER 23 HG SER 23 33.078 -4.627 1.533
168 H LEU 24 HN LEU 24 30.604 -1.454 2.820
169 HA LEU 24 HA LEU 24 30.126 0.961 1.451
170 1HB LEU 24 HB2 LEU 24 28.267 -0.434 1.975
171 2HB LEU 24 HB1 LEU 24 28.697 -0.487 3.674
172 HG LEU 24 HG LEU 24 28.275 2.204 3.238
173 1HD1 LEU 24 HD11 LEU 24 27.373 1.611 0.991
174 2HD1 LEU 24 HD12 LEU 24 26.229 2.444 2.043
175 3HD1 LEU 24 HD13 LEU 24 26.100 0.704 1.806
176 1HD2 LEU 24 HD21 LEU 24 27.386 0.252 4.913
177 2HD2 LEU 24 HD22 LEU 24 25.906 0.698 4.063
178 3HD2 LEU 24 HD23 LEU 24 26.832 1.927 4.928
179 H ARG 25 HN ARG 25 30.841 0.174 4.831
180 HA ARG 25 HA ARG 25 30.716 2.762 5.864
181 1HB ARG 25 HB2 ARG 25 31.322 0.258 6.859
182 2HB ARG 25 HB1 ARG 25 32.847 1.121 7.028
183 1HG ARG 25 HG2 ARG 25 31.432 1.260 9.036
184 2HG ARG 25 HG1 ARG 25 31.790 2.838 8.335
185 1HD ARG 25 HD2 ARG 25 29.592 3.205 8.467
186 2HD ARG 25 HD1 ARG 25 29.467 2.142 7.064
187 HE ARG 25 HE ARG 25 29.463 0.639 9.475
188 1HH1 ARG 25 HH11 ARG 25 27.436 2.763 7.559
189 2HH1 ARG 25 HH12 ARG 25 25.958 1.999 8.051
190 1HH2 ARG 25 HH21 ARG 25 27.514 -0.356 10.127
191 2HH2 ARG 25 HH22 ARG 25 25.997 0.216 9.493
192 H HIS 26 HN HIS 26 33.525 0.977 4.601
193 HA HIS 26 HA HIS 26 35.281 3.178 4.991
194 1HB HIS 26 HB2 HIS 26 35.631 0.488 4.477
195 2HB HIS 26 HB1 HIS 26 36.189 1.265 2.996
196 HD1 HIS 26 HD1 HIS 26 37.631 0.013 5.879
197 HD2 HIS 26 HD2 HIS 26 37.871 3.731 4.020
198 HE1 HIS 26 HE1 HIS 26 39.741 1.071 6.744
199 HE2 HIS 26 HE2 HIS 26 39.752 3.396 5.768
200 H TYR 27 HN TYR 27 33.435 2.003 2.204
201 HA TYR 27 HA TYR 27 34.597 3.784 0.332
202 1HB TYR 27 HB2 TYR 27 33.415 2.003 -0.644
203 2HB TYR 27 HB1 TYR 27 32.022 2.228 0.405
204 HD1 TYR 27 HD1 TYR 27 30.237 2.465 -1.134
205 HD2 TYR 27 HD2 TYR 27 33.781 4.773 -1.671
206 HE1 TYR 27 HE1 TYR 27 29.116 3.794 -2.856
207 HE2 TYR 27 HE2 TYR 27 32.660 6.096 -3.408
208 HH TYR 27 HH TYR 27 29.713 5.182 -4.801
209 H LEU 28 HN LEU 28 31.581 3.954 2.229
210 HA LEU 28 HA LEU 28 30.803 6.506 1.324
211 1HB LEU 28 HB2 LEU 28 30.212 5.076 3.909
212 2HB LEU 28 HB1 LEU 28 29.494 6.616 3.483
213 HG LEU 28 HG LEU 28 28.967 3.906 2.342
214 1HD1 LEU 28 HD11 LEU 28 26.906 6.001 2.567
215 2HD1 LEU 28 HD12 LEU 28 27.624 5.455 4.084
216 3HD1 LEU 28 HD13 LEU 28 26.846 4.293 3.006
217 1HD2 LEU 28 HD21 LEU 28 27.653 5.678 0.657
218 2HD2 LEU 28 HD22 LEU 28 29.020 4.643 0.239
219 3HD2 LEU 28 HD23 LEU 28 29.297 6.308 0.756
220 H ASN 29 HN ASN 29 33.129 5.560 3.733
221 HA ASN 29 HA ASN 29 33.380 8.240 4.805
222 1HB ASN 29 HB2 ASN 29 33.723 6.093 6.119
223 2HB ASN 29 HB1 ASN 29 35.238 5.906 5.245
224 1HD2 ASN 29 HD21 ASN 29 35.985 5.911 7.526
225 2HD2 ASN 29 HD22 ASN 29 36.412 7.445 8.220
226 H LEU 30 HN LEU 30 35.215 6.120 2.624
227 HA LEU 30 HA LEU 30 37.556 7.717 2.597
228 1HB LEU 30 HB2 LEU 30 36.682 5.251 1.436
229 2HB LEU 30 HB1 LEU 30 37.469 6.225 0.210
230 HG LEU 30 HG LEU 30 38.665 5.378 2.849
231 1HD1 LEU 30 HD11 LEU 30 39.769 3.730 1.759
232 2HD1 LEU 30 HD12 LEU 30 39.847 4.628 0.242
233 3HD1 LEU 30 HD13 LEU 30 38.352 3.814 0.711
234 1HD2 LEU 30 HD21 LEU 30 39.787 7.330 2.543
235 2HD2 LEU 30 HD22 LEU 30 39.523 7.343 0.799
236 3HD2 LEU 30 HD23 LEU 30 40.758 6.294 1.497
237 H VAL 31 HN VAL 31 34.577 8.078 0.931
238 HA VAL 31 HA VAL 31 35.486 9.274 -1.439
239 HB VAL 31 HB VAL 31 33.259 10.429 -1.513
240 1HG1 VAL 31 HG11 VAL 31 33.175 8.459 -2.652
241 2HG1 VAL 31 HG12 VAL 31 31.990 8.122 -1.387
242 3HG1 VAL 31 HG13 VAL 31 33.633 7.496 -1.246
243 1HG2 VAL 31 HG21 VAL 31 32.169 10.751 0.396
244 2HG2 VAL 31 HG22 VAL 31 33.263 9.675 1.267
245 3HG2 VAL 31 HG23 VAL 31 31.852 9.015 0.437
246 H THR 32 HN THR 32 35.094 10.538 1.781
247 HA THR 32 HA THR 32 35.929 13.196 0.866
248 HB THR 32 HB THR 32 35.503 13.500 3.524
249 HG1 THR 32 HG1 THR 32 33.279 11.963 3.098
250 1HG2 THR 32 HG21 THR 32 33.880 14.864 2.804
251 2HG2 THR 32 HG22 THR 32 32.967 13.534 2.094
252 3HG2 THR 32 HG23 THR 32 34.270 14.297 1.181
253 H ARG 33 HN ARG 33 37.677 10.909 0.903
254 HA ARG 33 HA ARG 33 39.809 10.366 1.391
255 1HB ARG 33 HB2 ARG 33 39.888 13.045 1.406
256 2HB ARG 33 HB1 ARG 33 40.312 12.751 3.087
257 1HG ARG 33 HG2 ARG 33 41.856 10.980 1.531
258 2HG ARG 33 HG1 ARG 33 41.944 12.564 0.758
259 1HD ARG 33 HD2 ARG 33 42.974 13.539 2.553
260 2HD ARG 33 HD1 ARG 33 42.263 12.417 3.713
261 HE ARG 33 HE ARG 33 43.858 10.732 2.797
262 1HH1 ARG 33 HH11 ARG 33 44.516 14.158 2.508
263 2HH1 ARG 33 HH12 ARG 33 46.238 13.965 2.423
264 1HH2 ARG 33 HH21 ARG 33 46.115 10.446 2.657
265 2HH2 ARG 33 HH22 ARG 33 47.157 11.831 2.473
266 H GLN 34 HN GLN 34 37.561 9.714 3.159
267 HA GLN 34 HA GLN 34 37.180 8.598 5.102
268 1HB GLN 34 HB2 GLN 34 39.699 7.804 4.270
269 2HB GLN 34 HB1 GLN 34 39.963 8.277 5.942
270 1HG GLN 34 HG2 GLN 34 37.704 6.798 6.162
271 2HG GLN 34 HG1 GLN 34 38.529 5.985 4.832
272 1HE2 GLN 34 HE21 GLN 34 38.811 6.997 8.181
273 2HE2 GLN 34 HE22 GLN 34 40.037 5.848 8.620
274 H ARG 35 HN ARG 35 37.436 11.483 5.156
275 HA ARG 35 HA ARG 35 38.336 11.843 7.935
276 1HB ARG 35 HB2 ARG 35 39.640 13.013 6.022
277 2HB ARG 35 HB1 ARG 35 38.253 14.090 5.946
278 1HG ARG 35 HG2 ARG 35 38.741 15.095 7.914
279 2HG ARG 35 HG1 ARG 35 39.463 13.642 8.606
280 1HD ARG 35 HD2 ARG 35 41.224 15.196 8.288
281 2HD ARG 35 HD1 ARG 35 41.390 13.978 7.025
282 HE ARG 35 HE ARG 35 39.873 16.295 6.221
283 1HH1 ARG 35 HH11 ARG 35 43.100 14.952 6.550
284 2HH1 ARG 35 HH12 ARG 35 43.770 15.957 5.292
285 1HH2 ARG 35 HH21 ARG 35 40.749 17.581 4.564
286 2HH2 ARG 35 HH22 ARG 35 42.439 17.442 4.169
287 H TYR 36 HN TYR 36 35.787 12.369 5.614
288 HA TYR 36 HA TYR 36 34.130 13.499 7.760
289 1HB TYR 36 HB2 TYR 36 33.774 14.503 4.956
290 2HB TYR 36 HB1 TYR 36 33.314 15.264 6.474
291 HD1 TYR 36 HD1 TYR 36 35.078 16.338 7.888
292 HD2 TYR 36 HD2 TYR 36 35.887 14.920 3.959
293 HE1 TYR 36 HE1 TYR 36 37.133 17.688 7.824
294 HE2 TYR 36 HE2 TYR 36 37.940 16.264 3.890
295 HH TYR 36 HH TYR 36 38.634 18.691 6.131
296 1HN NH2 37 H1 NH2 37 32.702 10.439 6.143
297 2HN NH2 37 H2 NH2 37 34.215 10.805 6.888
Start of MODEL 14
1 1H TYR 1 HT1 TYR 1 35.094 -1.363 -6.520
2 2H TYR 1 HT2 TYR 1 34.451 -0.641 -5.131
3 3H TYR 1 HT3 TYR 1 36.130 -0.692 -5.361
4 HA TYR 1 HA TYR 1 36.014 1.301 -6.253
5 1HB TYR 1 HB2 TYR 1 35.028 -0.562 -8.257
6 2HB TYR 1 HB1 TYR 1 34.389 1.058 -8.520
7 HD1 TYR 1 HD1 TYR 1 35.632 1.153 -10.656
8 HD2 TYR 1 HD2 TYR 1 37.646 0.724 -6.935
9 HE1 TYR 1 HE1 TYR 1 37.747 1.810 -11.733
10 HE2 TYR 1 HE2 TYR 1 39.761 1.382 -7.995
11 HH TYR 1 HH TYR 1 40.060 1.752 -11.455
12 HA PRO 2 HA PRO 2 32.323 3.594 -5.174
13 1HB PRO 2 HB2 PRO 2 32.580 5.197 -7.645
14 2HB PRO 2 HB1 PRO 2 32.599 5.720 -5.959
15 1HG PRO 2 HG2 PRO 2 34.834 5.705 -7.417
16 2HG PRO 2 HG1 PRO 2 34.855 5.243 -5.701
17 1HD PRO 2 HD2 PRO 2 34.884 3.495 -8.138
18 2HD PRO 2 HD1 PRO 2 35.829 3.348 -6.642
19 H ILE 3 HN ILE 3 31.263 1.471 -5.897
20 HA ILE 3 HA ILE 3 29.777 1.626 -8.382
21 HB ILE 3 HB ILE 3 30.747 -0.510 -7.726
22 1HG1 ILE 3 HG12 ILE 3 27.722 -0.474 -7.626
23 2HG1 ILE 3 HG11 ILE 3 28.725 -0.616 -9.065
24 1HG2 ILE 3 HG21 ILE 3 30.884 -0.721 -5.472
25 2HG2 ILE 3 HG22 ILE 3 29.398 -1.639 -5.722
26 3HG2 ILE 3 HG23 ILE 3 29.316 0.041 -5.190
27 1HD1 ILE 3 HD11 ILE 3 29.540 -2.726 -7.481
28 2HD1 ILE 3 HD12 ILE 3 28.454 -2.808 -8.867
29 3HD1 ILE 3 HD13 ILE 3 27.794 -2.655 -7.238
30 H LYS 4 HN LYS 4 29.331 2.470 -5.113
31 HA LYS 4 HA LYS 4 27.577 3.074 -3.810
32 1HB LYS 4 HB2 LYS 4 26.054 3.204 -6.425
33 2HB LYS 4 HB1 LYS 4 25.479 3.829 -4.887
34 1HG LYS 4 HG2 LYS 4 26.955 5.605 -4.900
35 2HG LYS 4 HG1 LYS 4 28.072 4.802 -6.006
36 1HD LYS 4 HD2 LYS 4 26.995 6.519 -7.245
37 2HD LYS 4 HD1 LYS 4 26.292 4.989 -7.774
38 1HE LYS 4 HE2 LYS 4 24.544 5.519 -5.881
39 2HE LYS 4 HE1 LYS 4 25.090 7.175 -6.146
40 1HZ LYS 4 HZ1 LYS 4 24.446 7.056 -8.416
41 2HZ LYS 4 HZ2 LYS 4 23.133 6.506 -7.491
42 3HZ LYS 4 HZ3 LYS 4 24.114 5.394 -8.312
43 HA PRO 5 HA PRO 5 26.404 -1.400 -3.915
44 1HB PRO 5 HB2 PRO 5 26.546 -1.668 -1.180
45 2HB PRO 5 HB1 PRO 5 27.909 -1.922 -2.281
46 1HG PRO 5 HG2 PRO 5 27.208 0.483 -0.643
47 2HG PRO 5 HG1 PRO 5 28.797 -0.246 -0.939
48 1HD PRO 5 HD2 PRO 5 27.998 1.961 -2.240
49 2HD PRO 5 HD1 PRO 5 28.997 0.726 -3.034
50 H GLU 6 HN GLU 6 24.381 -2.094 -3.872
51 HA GLU 6 HA GLU 6 22.373 -0.569 -2.387
52 1HB GLU 6 HB2 GLU 6 22.371 -1.628 -4.954
53 2HB GLU 6 HB1 GLU 6 21.407 -2.779 -4.042
54 1HG GLU 6 HG2 GLU 6 20.853 0.156 -3.843
55 2HG GLU 6 HG1 GLU 6 20.231 -0.792 -5.193
56 H ALA 7 HN ALA 7 20.624 -1.910 -1.327
57 HA ALA 7 HA ALA 7 21.815 -3.727 0.512
58 1HB ALA 7 HB1 ALA 7 19.536 -4.000 1.385
59 2HB ALA 7 HB2 ALA 7 18.905 -3.117 -0.005
60 3HB ALA 7 HB3 ALA 7 19.951 -2.301 1.160
61 HA PRO 8 HA PRO 8 21.303 -7.331 -2.097
62 1HB PRO 8 HB2 PRO 8 22.576 -9.074 -0.507
63 2HB PRO 8 HB1 PRO 8 23.458 -7.817 -1.387
64 1HG PRO 8 HG2 PRO 8 22.592 -7.868 1.484
65 2HG PRO 8 HG1 PRO 8 24.148 -7.368 0.794
66 1HD PRO 8 HD2 PRO 8 22.179 -5.611 1.512
67 2HD PRO 8 HD1 PRO 8 23.373 -5.281 0.241
68 H GLY 9 HN GLY 9 20.694 -9.788 -1.434
69 1HA GLY 9 HA2 GLY 9 18.806 -9.933 0.735
70 2HA GLY 9 HA1 GLY 9 18.059 -9.893 -0.857
71 H GLU 10 HN GLU 10 19.567 -11.450 -2.408
72 HA GLU 10 HA GLU 10 18.800 -14.011 -1.433
73 1HB GLU 10 HB2 GLU 10 20.328 -13.319 -3.937
74 2HB GLU 10 HB1 GLU 10 19.536 -14.851 -3.596
75 1HG GLU 10 HG2 GLU 10 17.807 -14.013 -4.710
76 2HG GLU 10 HG1 GLU 10 17.500 -13.059 -3.260
77 H ASP 11 HN ASP 11 19.958 -14.929 0.106
78 HA ASP 11 HA ASP 11 21.660 -15.928 1.220
79 1HB ASP 11 HB2 ASP 11 21.662 -17.072 -1.120
80 2HB ASP 11 HB1 ASP 11 23.172 -16.197 -1.359
81 H ALA 12 HN ALA 12 21.831 -13.340 1.573
82 HA ALA 12 HA ALA 12 24.666 -12.645 1.117
83 1HB ALA 12 HB1 ALA 12 22.200 -11.134 0.701
84 2HB ALA 12 HB2 ALA 12 23.809 -10.889 0.023
85 3HB ALA 12 HB3 ALA 12 23.422 -10.261 1.626
86 H SER 13 HN SER 13 22.829 -13.864 3.369
87 HA SER 13 HA SER 13 22.474 -12.275 5.504
88 1HB SER 13 HB2 SER 13 23.562 -14.835 6.360
89 2HB SER 13 HB1 SER 13 21.929 -14.188 6.532
90 HG SER 13 HG SER 13 23.030 -15.798 4.526
91 HA PRO 14 HA PRO 14 26.852 -12.282 7.056
92 1HB PRO 14 HB2 PRO 14 28.606 -14.272 6.421
93 2HB PRO 14 HB1 PRO 14 27.363 -14.425 7.664
94 1HG PRO 14 HG2 PRO 14 27.538 -15.783 5.116
95 2HG PRO 14 HG1 PRO 14 26.371 -16.036 6.420
96 1HD PRO 14 HD2 PRO 14 26.103 -14.445 3.949
97 2HD PRO 14 HD1 PRO 14 24.839 -15.126 4.997
98 H GLU 15 HN GLU 15 27.652 -13.712 3.865
99 HA GLU 15 HA GLU 15 30.108 -12.406 3.633
100 1HB GLU 15 HB2 GLU 15 28.281 -13.810 1.739
101 2HB GLU 15 HB1 GLU 15 29.627 -12.888 1.081
102 1HG GLU 15 HG2 GLU 15 29.895 -15.057 3.145
103 2HG GLU 15 HG1 GLU 15 30.102 -15.296 1.411
104 H GLU 16 HN GLU 16 27.248 -11.749 1.666
105 HA GLU 16 HA GLU 16 28.349 -9.386 0.583
106 1HB GLU 16 HB2 GLU 16 25.699 -10.763 0.422
107 2HB GLU 16 HB1 GLU 16 25.879 -9.137 -0.229
108 1HG GLU 16 HG2 GLU 16 27.748 -11.340 -1.011
109 2HG GLU 16 HG1 GLU 16 26.186 -11.137 -1.803
110 H LEU 17 HN LEU 17 26.298 -10.054 3.343
111 HA LEU 17 HA LEU 17 25.337 -7.397 3.661
112 1HB LEU 17 HB2 LEU 17 24.384 -9.418 4.802
113 2HB LEU 17 HB1 LEU 17 25.807 -9.447 5.829
114 HG LEU 17 HG LEU 17 24.852 -6.852 6.088
115 1HD1 LEU 17 HD11 LEU 17 22.760 -8.207 5.011
116 2HD1 LEU 17 HD12 LEU 17 22.617 -6.796 6.059
117 3HD1 LEU 17 HD13 LEU 17 22.469 -8.417 6.740
118 1HD2 LEU 17 HD21 LEU 17 24.000 -8.938 8.026
119 2HD2 LEU 17 HD22 LEU 17 24.770 -7.376 8.308
120 3HD2 LEU 17 HD23 LEU 17 25.728 -8.737 7.725
121 H ASN 18 HN ASN 18 28.005 -9.209 5.169
122 HA ASN 18 HA ASN 18 29.080 -6.956 6.499
123 1HB ASN 18 HB2 ASN 18 30.111 -8.655 7.522
124 2HB ASN 18 HB1 ASN 18 29.714 -9.761 6.218
125 1HD2 ASN 18 HD21 ASN 18 31.265 -10.327 4.778
126 2HD2 ASN 18 HD22 ASN 18 32.906 -9.795 4.868
127 H ARG 19 HN ARG 19 29.501 -8.297 3.294
128 HA ARG 19 HA ARG 19 31.855 -6.935 2.572
129 1HB ARG 19 HB2 ARG 19 29.777 -8.445 1.227
130 2HB ARG 19 HB1 ARG 19 30.302 -7.077 0.255
131 1HG ARG 19 HG2 ARG 19 32.109 -8.187 -0.359
132 2HG ARG 19 HG1 ARG 19 32.606 -8.347 1.325
133 1HD ARG 19 HD2 ARG 19 32.464 -10.548 0.619
134 2HD ARG 19 HD1 ARG 19 30.912 -10.286 1.412
135 HE ARG 19 HE ARG 19 30.243 -9.722 -1.083
136 1HH1 ARG 19 HH11 ARG 19 32.086 -12.398 0.231
137 2HH1 ARG 19 HH12 ARG 19 31.805 -13.430 -1.144
138 1HH2 ARG 19 HH21 ARG 19 29.817 -11.065 -2.832
139 2HH2 ARG 19 HH22 ARG 19 30.496 -12.668 -2.899
140 H TYR 20 HN TYR 20 28.486 -6.076 1.751
141 HA TYR 20 HA TYR 20 29.184 -3.505 0.780
142 1HB TYR 20 HB2 TYR 20 27.083 -3.566 0.007
143 2HB TYR 20 HB1 TYR 20 26.900 -5.129 0.785
144 HD1 TYR 20 HD1 TYR 20 25.944 -1.638 0.804
145 HD2 TYR 20 HD2 TYR 20 25.827 -5.256 3.047
146 HE1 TYR 20 HE1 TYR 20 24.142 -0.715 2.195
147 HE2 TYR 20 HE2 TYR 20 24.031 -4.333 4.447
148 HH TYR 20 HH TYR 20 22.479 -1.297 3.690
149 H TYR 21 HN TYR 21 28.382 -4.751 3.904
150 HA TYR 21 HA TYR 21 27.720 -2.478 5.356
151 1HB TYR 21 HB2 TYR 21 28.265 -5.138 5.888
152 2HB TYR 21 HB1 TYR 21 29.529 -4.283 6.763
153 HD1 TYR 21 HD1 TYR 21 29.102 -3.414 8.837
154 HD2 TYR 21 HD2 TYR 21 25.849 -4.357 6.275
155 HE1 TYR 21 HE1 TYR 21 27.555 -2.984 10.671
156 HE2 TYR 21 HE2 TYR 21 24.269 -3.932 8.102
157 HH TYR 21 HH TYR 21 24.494 -4.035 10.781
158 H ALA 22 HN ALA 22 30.918 -4.003 5.253
159 HA ALA 22 HA ALA 22 32.102 -1.728 6.517
160 1HB ALA 22 HB1 ALA 22 32.835 -3.951 7.064
161 2HB ALA 22 HB2 ALA 22 34.176 -3.026 6.379
162 3HB ALA 22 HB3 ALA 22 33.339 -4.228 5.394
163 H SER 23 HN SER 23 31.614 -2.752 3.253
164 HA SER 23 HA SER 23 33.521 -1.067 2.024
165 1HB SER 23 HB2 SER 23 30.806 -2.014 1.063
166 2HB SER 23 HB1 SER 23 31.955 -1.132 0.055
167 HG SER 23 HG SER 23 32.236 -3.705 1.211
168 H LEU 24 HN LEU 24 30.130 -0.572 2.933
169 HA LEU 24 HA LEU 24 29.773 2.084 2.320
170 1HB LEU 24 HB2 LEU 24 28.485 0.141 3.923
171 2HB LEU 24 HB1 LEU 24 28.720 1.543 4.945
172 HG LEU 24 HG LEU 24 27.429 2.928 3.473
173 1HD1 LEU 24 HD11 LEU 24 26.793 2.419 1.341
174 2HD1 LEU 24 HD12 LEU 24 26.783 0.681 1.640
175 3HD1 LEU 24 HD13 LEU 24 28.313 1.528 1.420
176 1HD2 LEU 24 HD21 LEU 24 25.714 2.110 4.631
177 2HD2 LEU 24 HD22 LEU 24 26.406 0.486 4.638
178 3HD2 LEU 24 HD23 LEU 24 25.419 1.019 3.277
179 H ARG 25 HN ARG 25 31.004 0.712 5.346
180 HA ARG 25 HA ARG 25 31.618 3.094 6.649
181 1HB ARG 25 HB2 ARG 25 32.113 0.288 7.022
182 2HB ARG 25 HB1 ARG 25 33.555 1.203 7.432
183 1HG ARG 25 HG2 ARG 25 32.644 2.039 9.295
184 2HG ARG 25 HG1 ARG 25 31.083 2.317 8.524
185 1HD ARG 25 HD2 ARG 25 30.775 0.683 10.245
186 2HD ARG 25 HD1 ARG 25 30.638 -0.130 8.684
187 HE ARG 25 HE ARG 25 32.517 -1.349 9.183
188 1HH1 ARG 25 HH11 ARG 25 32.148 1.215 11.535
189 2HH1 ARG 25 HH12 ARG 25 33.477 0.677 12.513
190 1HH2 ARG 25 HH21 ARG 25 34.237 -2.083 10.478
191 2HH2 ARG 25 HH22 ARG 25 34.685 -1.196 11.909
192 H HIS 26 HN HIS 26 33.925 0.974 4.902
193 HA HIS 26 HA HIS 26 36.067 2.804 5.357
194 1HB HIS 26 HB2 HIS 26 35.983 0.162 4.865
195 2HB HIS 26 HB1 HIS 26 36.369 0.746 3.248
196 HD1 HIS 26 HD1 HIS 26 38.802 0.096 3.109
197 HD2 HIS 26 HD2 HIS 26 37.890 2.238 6.558
198 HE1 HIS 26 HE1 HIS 26 41.006 0.599 4.202
199 HE2 HIS 26 HE2 HIS 26 40.442 2.080 6.159
200 H TYR 27 HN TYR 27 34.077 2.041 2.523
201 HA TYR 27 HA TYR 27 35.677 3.578 0.736
202 1HB TYR 27 HB2 TYR 27 34.512 2.019 -0.472
203 2HB TYR 27 HB1 TYR 27 33.095 2.115 0.561
204 HD1 TYR 27 HD1 TYR 27 34.945 4.316 -1.855
205 HD2 TYR 27 HD2 TYR 27 31.188 2.941 -0.402
206 HE1 TYR 27 HE1 TYR 27 33.794 5.662 -3.562
207 HE2 TYR 27 HE2 TYR 27 30.033 4.289 -2.096
208 HH TYR 27 HH TYR 27 31.394 6.737 -3.745
209 H LEU 28 HN LEU 28 32.542 4.200 2.376
210 HA LEU 28 HA LEU 28 32.266 6.811 1.295
211 1HB LEU 28 HB2 LEU 28 31.123 5.464 3.721
212 2HB LEU 28 HB1 LEU 28 30.814 7.159 3.405
213 HG LEU 28 HG LEU 28 30.084 4.872 1.572
214 1HD1 LEU 28 HD11 LEU 28 28.009 6.612 2.707
215 2HD1 LEU 28 HD12 LEU 28 28.825 5.562 3.866
216 3HD1 LEU 28 HD13 LEU 28 28.022 4.866 2.458
217 1HD2 LEU 28 HD21 LEU 28 30.631 6.885 0.323
218 2HD2 LEU 28 HD22 LEU 28 29.548 7.830 1.344
219 3HD2 LEU 28 HD23 LEU 28 28.894 6.583 0.285
220 H ASN 29 HN ASN 29 33.942 5.556 4.109
221 HA ASN 29 HA ASN 29 34.578 7.989 5.362
222 1HB ASN 29 HB2 ASN 29 35.347 5.232 5.606
223 2HB ASN 29 HB1 ASN 29 36.787 6.237 5.664
224 1HD2 ASN 29 HD21 ASN 29 33.900 5.286 7.247
225 2HD2 ASN 29 HD22 ASN 29 34.177 6.125 8.733
226 H LEU 30 HN LEU 30 36.571 6.036 3.139
227 HA LEU 30 HA LEU 30 38.655 7.974 3.125
228 1HB LEU 30 HB2 LEU 30 39.513 5.885 2.826
229 2HB LEU 30 HB1 LEU 30 38.141 5.337 1.883
230 HG LEU 30 HG LEU 30 39.100 6.912 0.050
231 1HD1 LEU 30 HD11 LEU 30 41.469 6.506 1.857
232 2HD1 LEU 30 HD12 LEU 30 40.785 8.036 1.304
233 3HD1 LEU 30 HD13 LEU 30 41.605 6.970 0.160
234 1HD2 LEU 30 HD21 LEU 30 40.878 4.939 -0.351
235 2HD2 LEU 30 HD22 LEU 30 39.148 4.768 -0.655
236 3HD2 LEU 30 HD23 LEU 30 39.842 4.176 0.856
237 H VAL 31 HN VAL 31 35.835 7.447 1.147
238 HA VAL 31 HA VAL 31 36.847 8.741 -1.158
239 HB VAL 31 HB VAL 31 34.758 7.197 -0.956
240 1HG1 VAL 31 HG11 VAL 31 32.628 8.474 -0.945
241 2HG1 VAL 31 HG12 VAL 31 33.534 9.901 -0.438
242 3HG1 VAL 31 HG13 VAL 31 33.465 8.483 0.609
243 1HG2 VAL 31 HG21 VAL 31 35.023 7.670 -3.124
244 2HG2 VAL 31 HG22 VAL 31 35.433 9.354 -2.796
245 3HG2 VAL 31 HG23 VAL 31 33.743 8.858 -2.876
246 H THR 32 HN THR 32 35.371 9.897 1.749
247 HA THR 32 HA THR 32 35.269 12.625 0.744
248 HB THR 32 HB THR 32 34.929 12.015 3.642
249 HG1 THR 32 HG1 THR 32 33.646 10.386 2.984
250 1HG2 THR 32 HG21 THR 32 34.294 14.119 1.818
251 2HG2 THR 32 HG22 THR 32 34.074 14.074 3.569
252 3HG2 THR 32 HG23 THR 32 32.794 13.492 2.505
253 H ARG 33 HN ARG 33 37.742 10.926 1.068
254 HA ARG 33 HA ARG 33 39.923 11.135 1.635
255 1HB ARG 33 HB2 ARG 33 38.946 13.852 1.403
256 2HB ARG 33 HB1 ARG 33 40.248 13.740 2.577
257 1HG ARG 33 HG2 ARG 33 40.977 12.228 0.284
258 2HG ARG 33 HG1 ARG 33 40.423 13.820 -0.240
259 1HD ARG 33 HD2 ARG 33 42.474 14.530 0.264
260 2HD ARG 33 HD1 ARG 33 41.972 14.400 1.949
261 HE ARG 33 HE ARG 33 43.320 12.181 0.529
262 1HH1 ARG 33 HH11 ARG 33 42.909 14.238 3.335
263 2HH1 ARG 33 HH12 ARG 33 44.213 13.501 4.226
264 1HH2 ARG 33 HH21 ARG 33 45.013 11.182 1.718
265 2HH2 ARG 33 HH22 ARG 33 45.401 11.772 3.310
266 H GLN 34 HN GLN 34 37.759 10.595 3.623
267 HA GLN 34 HA GLN 34 37.471 10.197 5.837
268 1HB GLN 34 HB2 GLN 34 40.338 9.986 5.388
269 2HB GLN 34 HB1 GLN 34 39.957 10.440 7.044
270 1HG GLN 34 HG2 GLN 34 38.175 8.393 6.404
271 2HG GLN 34 HG1 GLN 34 39.735 7.896 5.746
272 1HE2 GLN 34 HE21 GLN 34 37.848 7.582 8.336
273 2HE2 GLN 34 HE22 GLN 34 39.046 7.384 9.572
274 H ARG 35 HN ARG 35 37.942 13.112 4.732
275 HA ARG 35 HA ARG 35 37.446 14.400 7.270
276 1HB ARG 35 HB2 ARG 35 40.028 14.651 5.851
277 2HB ARG 35 HB1 ARG 35 39.297 16.171 6.344
278 1HG ARG 35 HG2 ARG 35 39.080 14.512 8.573
279 2HG ARG 35 HG1 ARG 35 40.693 14.210 7.917
280 1HD ARG 35 HD2 ARG 35 39.711 17.016 8.214
281 2HD ARG 35 HD1 ARG 35 40.294 16.142 9.629
282 HE ARG 35 HE ARG 35 42.339 15.757 8.037
283 1HH1 ARG 35 HH11 ARG 35 40.444 18.669 8.460
284 2HH1 ARG 35 HH12 ARG 35 41.764 19.742 8.086
285 1HH2 ARG 35 HH21 ARG 35 44.076 17.143 7.537
286 2HH2 ARG 35 HH22 ARG 35 43.832 18.870 7.545
287 H TYR 36 HN TYR 36 38.662 15.670 4.191
288 HA TYR 36 HA TYR 36 36.049 16.356 3.232
289 1HB TYR 36 HB2 TYR 36 36.925 18.185 4.970
290 2HB TYR 36 HB1 TYR 36 37.791 18.751 3.546
291 HD1 TYR 36 HD1 TYR 36 36.730 20.637 2.733
292 HD2 TYR 36 HD2 TYR 36 34.362 17.335 3.986
293 HE1 TYR 36 HE1 TYR 36 34.706 21.796 1.947
294 HE2 TYR 36 HE2 TYR 36 32.332 18.483 3.205
295 HH TYR 36 HH TYR 36 31.475 20.407 2.470
296 1HN NH2 37 H1 NH2 37 37.563 16.827 0.085
297 2HN NH2 37 H2 NH2 37 36.112 16.955 1.014
Start of MODEL 15
1 1H TYR 1 HT1 TYR 1 38.044 7.678 -8.480
2 2H TYR 1 HT2 TYR 1 38.040 6.487 -7.275
3 3H TYR 1 HT3 TYR 1 38.181 8.126 -6.852
4 HA TYR 1 HA TYR 1 36.025 8.380 -6.746
5 1HB TYR 1 HB2 TYR 1 36.300 7.435 -9.552
6 2HB TYR 1 HB1 TYR 1 34.686 7.377 -8.852
7 HD1 TYR 1 HD1 TYR 1 36.033 9.156 -11.130
8 HD2 TYR 1 HD2 TYR 1 34.889 9.808 -7.085
9 HE1 TYR 1 HE1 TYR 1 35.748 11.554 -11.605
10 HE2 TYR 1 HE2 TYR 1 34.598 12.204 -7.543
11 HH TYR 1 HH TYR 1 35.613 13.871 -9.300
12 HA PRO 2 HA PRO 2 34.616 4.487 -5.112
13 1HB PRO 2 HB2 PRO 2 32.273 5.283 -4.083
14 2HB PRO 2 HB1 PRO 2 33.808 5.813 -3.385
15 1HG PRO 2 HG2 PRO 2 31.960 7.276 -5.228
16 2HG PRO 2 HG1 PRO 2 32.828 7.877 -3.805
17 1HD PRO 2 HD2 PRO 2 33.672 8.249 -6.392
18 2HD PRO 2 HD1 PRO 2 34.750 8.243 -4.982
19 H ILE 3 HN ILE 3 31.898 3.793 -4.977
20 HA ILE 3 HA ILE 3 30.830 3.944 -7.655
21 HB ILE 3 HB ILE 3 32.324 2.058 -7.853
22 1HG1 ILE 3 HG12 ILE 3 30.336 0.216 -8.074
23 2HG1 ILE 3 HG11 ILE 3 29.407 1.712 -8.043
24 1HG2 ILE 3 HG21 ILE 3 31.118 0.083 -6.212
25 2HG2 ILE 3 HG22 ILE 3 31.561 1.463 -5.208
26 3HG2 ILE 3 HG23 ILE 3 32.781 0.671 -6.207
27 1HD1 ILE 3 HD11 ILE 3 29.827 1.916 -10.209
28 2HD1 ILE 3 HD12 ILE 3 30.953 0.560 -10.169
29 3HD1 ILE 3 HD13 ILE 3 31.519 2.187 -9.799
30 H LYS 4 HN LYS 4 29.533 1.272 -6.028
31 HA LYS 4 HA LYS 4 27.692 2.733 -4.377
32 1HB LYS 4 HB2 LYS 4 27.056 2.284 -7.121
33 2HB LYS 4 HB1 LYS 4 26.005 1.269 -6.144
34 1HG LYS 4 HG2 LYS 4 24.733 3.013 -5.648
35 2HG LYS 4 HG1 LYS 4 26.122 3.870 -4.979
36 1HD LYS 4 HD2 LYS 4 25.918 5.318 -6.662
37 2HD LYS 4 HD1 LYS 4 26.462 4.025 -7.735
38 1HE LYS 4 HE2 LYS 4 24.505 4.219 -8.770
39 2HE LYS 4 HE1 LYS 4 23.776 3.487 -7.343
40 1HZ LYS 4 HZ1 LYS 4 22.779 5.651 -8.091
41 2HZ LYS 4 HZ2 LYS 4 24.218 6.410 -7.606
42 3HZ LYS 4 HZ3 LYS 4 23.261 5.601 -6.463
43 HA PRO 5 HA PRO 5 27.927 -1.428 -2.737
44 1HB PRO 5 HB2 PRO 5 27.123 -0.816 -0.244
45 2HB PRO 5 HB1 PRO 5 28.746 -0.431 -0.827
46 1HG PRO 5 HG2 PRO 5 26.395 1.346 -0.439
47 2HG PRO 5 HG1 PRO 5 28.118 1.701 -0.242
48 1HD PRO 5 HD2 PRO 5 26.539 2.370 -2.453
49 2HD PRO 5 HD1 PRO 5 28.311 2.379 -2.398
50 H GLU 6 HN GLU 6 26.124 -1.985 -4.188
51 HA GLU 6 HA GLU 6 23.420 -1.613 -3.377
52 1HB GLU 6 HB2 GLU 6 24.632 -2.412 -5.688
53 2HB GLU 6 HB1 GLU 6 24.021 -3.944 -5.080
54 1HG GLU 6 HG2 GLU 6 21.788 -3.174 -5.103
55 2HG GLU 6 HG1 GLU 6 22.291 -1.503 -5.353
56 H ALA 7 HN ALA 7 21.943 -3.301 -2.699
57 HA ALA 7 HA ALA 7 22.860 -4.716 -0.453
58 1HB ALA 7 HB1 ALA 7 20.687 -4.704 -0.047
59 2HB ALA 7 HB2 ALA 7 20.442 -5.885 -1.331
60 3HB ALA 7 HB3 ALA 7 20.362 -4.161 -1.693
61 HA PRO 8 HA PRO 8 24.402 -8.324 -2.511
62 1HB PRO 8 HB2 PRO 8 25.286 -9.636 -0.365
63 2HB PRO 8 HB1 PRO 8 26.038 -8.120 -0.883
64 1HG PRO 8 HG2 PRO 8 24.083 -8.607 1.328
65 2HG PRO 8 HG1 PRO 8 25.501 -7.545 1.303
66 1HD PRO 8 HD2 PRO 8 22.882 -6.721 0.899
67 2HD PRO 8 HD1 PRO 8 24.325 -5.823 0.386
68 H GLY 9 HN GLY 9 21.652 -8.384 -2.447
69 1HA GLY 9 HA2 GLY 9 20.634 -10.632 -2.993
70 2HA GLY 9 HA1 GLY 9 21.025 -11.030 -1.319
71 H GLU 10 HN GLU 10 18.894 -11.289 -0.645
72 HA GLU 10 HA GLU 10 17.358 -8.788 -0.672
73 1HB GLU 10 HB2 GLU 10 16.580 -11.540 -1.134
74 2HB GLU 10 HB1 GLU 10 15.652 -10.847 0.190
75 1HG GLU 10 HG2 GLU 10 15.911 -9.691 -2.576
76 2HG GLU 10 HG1 GLU 10 14.514 -10.557 -1.935
77 H ASP 11 HN ASP 11 18.200 -11.586 1.315
78 HA ASP 11 HA ASP 11 17.921 -9.871 3.689
79 1HB ASP 11 HB2 ASP 11 17.184 -11.646 4.927
80 2HB ASP 11 HB1 ASP 11 16.625 -12.185 3.350
81 H ALA 12 HN ALA 12 19.952 -12.092 1.925
82 HA ALA 12 HA ALA 12 22.193 -12.186 1.662
83 1HB ALA 12 HB1 ALA 12 22.685 -9.995 1.530
84 2HB ALA 12 HB2 ALA 12 23.493 -10.322 3.063
85 3HB ALA 12 HB3 ALA 12 21.881 -9.605 3.051
86 H SER 13 HN SER 13 23.715 -13.466 2.492
87 HA SER 13 HA SER 13 23.474 -14.553 5.110
88 1HB SER 13 HB2 SER 13 26.047 -15.108 4.048
89 2HB SER 13 HB1 SER 13 24.630 -16.163 4.045
90 HG SER 13 HG SER 13 25.702 -15.472 1.930
91 HA PRO 14 HA PRO 14 25.940 -11.969 7.727
92 1HB PRO 14 HB2 PRO 14 28.059 -13.707 8.383
93 2HB PRO 14 HB1 PRO 14 26.559 -13.483 9.283
94 1HG PRO 14 HG2 PRO 14 27.293 -15.590 7.311
95 2HG PRO 14 HG1 PRO 14 26.273 -15.707 8.756
96 1HD PRO 14 HD2 PRO 14 25.196 -15.664 6.316
97 2HD PRO 14 HD1 PRO 14 24.418 -14.818 7.672
98 H GLU 15 HN GLU 15 28.046 -13.982 5.681
99 HA GLU 15 HA GLU 15 30.188 -12.117 5.555
100 1HB GLU 15 HB2 GLU 15 30.025 -13.877 3.250
101 2HB GLU 15 HB1 GLU 15 31.245 -13.803 4.517
102 1HG GLU 15 HG2 GLU 15 29.699 -15.127 5.962
103 2HG GLU 15 HG1 GLU 15 28.651 -15.321 4.561
104 H GLU 16 HN GLU 16 27.360 -12.668 3.585
105 HA GLU 16 HA GLU 16 28.093 -11.044 1.399
106 1HB GLU 16 HB2 GLU 16 25.644 -12.374 2.371
107 2HB GLU 16 HB1 GLU 16 25.360 -10.922 1.423
108 1HG GLU 16 HG2 GLU 16 25.709 -13.447 0.432
109 2HG GLU 16 HG1 GLU 16 25.853 -11.948 -0.485
110 H LEU 17 HN LEU 17 26.053 -10.479 4.250
111 HA LEU 17 HA LEU 17 25.590 -7.750 3.652
112 1HB LEU 17 HB2 LEU 17 24.132 -7.917 5.327
113 2HB LEU 17 HB1 LEU 17 24.639 -9.584 5.520
114 HG LEU 17 HG LEU 17 26.521 -8.086 6.955
115 1HD1 LEU 17 HD11 LEU 17 23.856 -6.819 6.960
116 2HD1 LEU 17 HD12 LEU 17 25.443 -6.132 7.310
117 3HD1 LEU 17 HD13 LEU 17 24.599 -7.073 8.539
118 1HD2 LEU 17 HD21 LEU 17 24.242 -9.217 8.440
119 2HD2 LEU 17 HD22 LEU 17 25.973 -9.533 8.597
120 3HD2 LEU 17 HD23 LEU 17 25.044 -10.316 7.318
121 H ASN 18 HN ASN 18 27.999 -9.432 5.623
122 HA ASN 18 HA ASN 18 29.130 -7.080 6.737
123 1HB ASN 18 HB2 ASN 18 29.386 -9.515 7.534
124 2HB ASN 18 HB1 ASN 18 30.663 -9.637 6.327
125 1HD2 ASN 18 HD21 ASN 18 32.524 -9.590 7.359
126 2HD2 ASN 18 HD22 ASN 18 32.962 -8.461 8.599
127 H ARG 19 HN ARG 19 29.833 -8.968 3.830
128 HA ARG 19 HA ARG 19 32.251 -7.617 3.217
129 1HB ARG 19 HB2 ARG 19 30.496 -9.530 1.915
130 2HB ARG 19 HB1 ARG 19 31.172 -8.375 0.771
131 1HG ARG 19 HG2 ARG 19 32.825 -9.927 0.720
132 2HG ARG 19 HG1 ARG 19 33.407 -8.962 2.074
133 1HD ARG 19 HD2 ARG 19 33.349 -10.762 3.362
134 2HD ARG 19 HD1 ARG 19 31.606 -10.857 3.128
135 HE ARG 19 HE ARG 19 33.601 -12.549 1.961
136 1HH1 ARG 19 HH11 ARG 19 30.414 -11.203 1.470
137 2HH1 ARG 19 HH12 ARG 19 29.899 -12.449 0.377
138 1HH2 ARG 19 HH21 ARG 19 32.946 -14.213 0.563
139 2HH2 ARG 19 HH22 ARG 19 31.351 -14.190 -0.128
140 H TYR 20 HN TYR 20 28.920 -7.096 2.030
141 HA TYR 20 HA TYR 20 29.581 -4.769 0.539
142 1HB TYR 20 HB2 TYR 20 27.501 -5.074 -0.219
143 2HB TYR 20 HB1 TYR 20 27.295 -6.377 0.938
144 HD1 TYR 20 HD1 TYR 20 26.254 -3.097 -0.057
145 HD2 TYR 20 HD2 TYR 20 26.327 -5.802 3.227
146 HE1 TYR 20 HE1 TYR 20 24.432 -1.840 1.013
147 HE2 TYR 20 HE2 TYR 20 24.513 -4.540 4.314
148 HH TYR 20 HH TYR 20 22.891 -1.869 2.653
149 H TYR 21 HN TYR 21 28.762 -5.367 3.839
150 HA TYR 21 HA TYR 21 28.099 -2.815 4.744
151 1HB TYR 21 HB2 TYR 21 28.275 -5.228 5.903
152 2HB TYR 21 HB1 TYR 21 29.782 -4.534 6.486
153 HD1 TYR 21 HD1 TYR 21 26.124 -4.115 6.440
154 HD2 TYR 21 HD2 TYR 21 29.800 -2.916 8.191
155 HE1 TYR 21 HE1 TYR 21 24.885 -2.969 8.214
156 HE2 TYR 21 HE2 TYR 21 28.590 -1.769 9.976
157 HH TYR 21 HH TYR 21 25.095 -2.070 10.325
158 H ALA 22 HN ALA 22 31.254 -4.439 4.936
159 HA ALA 22 HA ALA 22 32.579 -2.077 5.812
160 1HB ALA 22 HB1 ALA 22 33.602 -4.740 4.877
161 2HB ALA 22 HB2 ALA 22 33.432 -4.158 6.534
162 3HB ALA 22 HB3 ALA 22 34.646 -3.448 5.467
163 H SER 23 HN SER 23 31.883 -3.428 2.676
164 HA SER 23 HA SER 23 33.691 -1.815 1.201
165 1HB SER 23 HB2 SER 23 30.996 -2.946 0.406
166 2HB SER 23 HB1 SER 23 32.142 -2.210 -0.713
167 HG SER 23 HG SER 23 32.409 -4.602 0.778
168 H LEU 24 HN LEU 24 30.496 -1.266 2.524
169 HA LEU 24 HA LEU 24 30.080 1.328 1.430
170 1HB LEU 24 HB2 LEU 24 28.159 0.104 2.164
171 2HB LEU 24 HB1 LEU 24 28.872 -0.196 3.739
172 HG LEU 24 HG LEU 24 28.788 2.474 3.825
173 1HD1 LEU 24 HD11 LEU 24 27.253 1.847 1.527
174 2HD1 LEU 24 HD12 LEU 24 27.505 3.419 2.289
175 3HD1 LEU 24 HD13 LEU 24 26.149 2.404 2.784
176 1HD2 LEU 24 HD21 LEU 24 27.839 1.435 5.614
177 2HD2 LEU 24 HD22 LEU 24 26.884 0.339 4.613
178 3HD2 LEU 24 HD23 LEU 24 26.380 2.017 4.814
179 H ARG 25 HN ARG 25 31.529 -0.020 4.310
180 HA ARG 25 HA ARG 25 31.939 2.378 5.725
181 1HB ARG 25 HB2 ARG 25 33.458 -0.235 5.737
182 2HB ARG 25 HB1 ARG 25 33.770 1.078 6.866
183 1HG ARG 25 HG2 ARG 25 31.171 -0.404 6.566
184 2HG ARG 25 HG1 ARG 25 32.353 -0.631 7.856
185 1HD ARG 25 HD2 ARG 25 31.042 2.014 7.280
186 2HD ARG 25 HD1 ARG 25 30.369 0.835 8.405
187 HE ARG 25 HE ARG 25 32.990 2.153 8.726
188 1HH1 ARG 25 HH11 ARG 25 30.113 0.693 10.084
189 2HH1 ARG 25 HH12 ARG 25 30.661 0.835 11.728
190 1HH2 ARG 25 HH21 ARG 25 33.696 2.395 10.863
191 2HH2 ARG 25 HH22 ARG 25 32.705 1.818 12.177
192 H HIS 26 HN HIS 26 33.971 0.616 3.400
193 HA HIS 26 HA HIS 26 36.085 2.531 3.444
194 1HB HIS 26 HB2 HIS 26 35.959 0.014 2.550
195 2HB HIS 26 HB1 HIS 26 35.645 0.845 1.030
196 HD1 HIS 26 HD1 HIS 26 38.145 -0.686 0.995
197 HD2 HIS 26 HD2 HIS 26 38.000 3.167 2.556
198 HE1 HIS 26 HE1 HIS 26 40.502 0.180 0.893
199 HE2 HIS 26 HE2 HIS 26 40.424 2.416 2.054
200 H TYR 27 HN TYR 27 33.380 1.919 1.251
201 HA TYR 27 HA TYR 27 33.887 3.912 -0.630
202 1HB TYR 27 HB2 TYR 27 32.244 2.548 -1.412
203 2HB TYR 27 HB1 TYR 27 31.593 2.241 0.190
204 HD1 TYR 27 HD1 TYR 27 31.294 4.208 -2.847
205 HD2 TYR 27 HD2 TYR 27 29.926 3.810 1.164
206 HE1 TYR 27 HE1 TYR 27 29.343 5.608 -3.377
207 HE2 TYR 27 HE2 TYR 27 27.980 5.218 0.649
208 HH TYR 27 HH TYR 27 27.130 6.711 -0.875
209 H LEU 28 HN LEU 28 32.095 4.013 2.427
210 HA LEU 28 HA LEU 28 31.430 6.795 2.171
211 1HB LEU 28 HB2 LEU 28 31.007 4.675 4.095
212 2HB LEU 28 HB1 LEU 28 31.411 6.186 4.887
213 HG LEU 28 HG LEU 28 29.391 6.456 2.784
214 1HD1 LEU 28 HD11 LEU 28 28.812 4.826 5.248
215 2HD1 LEU 28 HD12 LEU 28 28.732 4.274 3.571
216 3HD1 LEU 28 HD13 LEU 28 27.594 5.491 4.159
217 1HD2 LEU 28 HD21 LEU 28 30.280 7.937 4.887
218 2HD2 LEU 28 HD22 LEU 28 28.811 7.227 5.552
219 3HD2 LEU 28 HD23 LEU 28 28.736 8.179 4.068
220 H ASN 29 HN ASN 29 34.113 5.025 3.534
221 HA ASN 29 HA ASN 29 35.160 6.993 5.228
222 1HB ASN 29 HB2 ASN 29 36.184 5.005 5.665
223 2HB ASN 29 HB1 ASN 29 36.173 4.504 3.980
224 1HD2 ASN 29 HD21 ASN 29 37.870 6.346 6.412
225 2HD2 ASN 29 HD22 ASN 29 39.375 6.442 5.564
226 H LEU 30 HN LEU 30 35.875 6.326 1.802
227 HA LEU 30 HA LEU 30 37.735 8.545 1.708
228 1HB LEU 30 HB2 LEU 30 37.802 8.019 -0.751
229 2HB LEU 30 HB1 LEU 30 38.312 6.729 0.319
230 HG LEU 30 HG LEU 30 35.664 6.133 -0.025
231 1HD1 LEU 30 HD11 LEU 30 36.520 6.738 -2.802
232 2HD1 LEU 30 HD12 LEU 30 35.886 8.068 -1.830
233 3HD1 LEU 30 HD13 LEU 30 34.899 6.633 -2.113
234 1HD2 LEU 30 HD21 LEU 30 38.065 5.249 -1.622
235 2HD2 LEU 30 HD22 LEU 30 36.509 4.421 -1.621
236 3HD2 LEU 30 HD23 LEU 30 37.449 4.527 -0.132
237 H VAL 31 HN VAL 31 34.390 8.140 1.412
238 HA VAL 31 HA VAL 31 33.935 10.281 -0.456
239 HB VAL 31 HB VAL 31 32.375 8.177 0.702
240 1HG1 VAL 31 HG11 VAL 31 31.159 10.916 0.994
241 2HG1 VAL 31 HG12 VAL 31 31.374 9.689 2.242
242 3HG1 VAL 31 HG13 VAL 31 30.218 9.424 0.938
243 1HG2 VAL 31 HG21 VAL 31 32.566 9.729 -1.688
244 2HG2 VAL 31 HG22 VAL 31 30.873 9.575 -1.219
245 3HG2 VAL 31 HG23 VAL 31 31.859 8.130 -1.450
246 H THR 32 HN THR 32 34.246 9.958 2.988
247 HA THR 32 HA THR 32 32.930 12.433 3.620
248 HB THR 32 HB THR 32 34.646 11.768 5.752
249 HG1 THR 32 HG1 THR 32 33.389 9.450 4.650
250 1HG2 THR 32 HG21 THR 32 31.741 11.045 5.347
251 2HG2 THR 32 HG22 THR 32 32.329 12.617 5.890
252 3HG2 THR 32 HG23 THR 32 32.578 11.187 6.892
253 H ARG 33 HN ARG 33 35.972 11.629 2.382
254 HA ARG 33 HA ARG 33 37.256 13.999 3.492
255 1HB ARG 33 HB2 ARG 33 38.461 11.792 3.329
256 2HB ARG 33 HB1 ARG 33 38.459 12.002 1.584
257 1HG ARG 33 HG2 ARG 33 40.331 13.164 1.750
258 2HG ARG 33 HG1 ARG 33 39.466 14.386 2.681
259 1HD ARG 33 HD2 ARG 33 40.137 13.481 4.721
260 2HD ARG 33 HD1 ARG 33 40.522 11.914 4.007
261 HE ARG 33 HE ARG 33 42.481 12.934 3.006
262 1HH1 ARG 33 HH11 ARG 33 40.927 14.723 5.604
263 2HH1 ARG 33 HH12 ARG 33 42.324 15.707 5.913
264 1HH2 ARG 33 HH21 ARG 33 44.293 14.267 3.414
265 2HH2 ARG 33 HH22 ARG 33 44.220 15.461 4.677
266 H GLN 34 HN GLN 34 35.038 14.398 1.746
267 HA GLN 34 HA GLN 34 36.156 15.510 -0.673
268 1HB GLN 34 HB2 GLN 34 33.644 14.797 -0.061
269 2HB GLN 34 HB1 GLN 34 33.555 16.488 0.410
270 1HG GLN 34 HG2 GLN 34 34.394 17.083 -1.871
271 2HG GLN 34 HG1 GLN 34 34.224 15.383 -2.303
272 1HE2 GLN 34 HE21 GLN 34 32.651 18.377 -1.964
273 2HE2 GLN 34 HE22 GLN 34 31.040 17.828 -2.291
274 H ARG 35 HN ARG 35 37.821 16.369 1.010
275 HA ARG 35 HA ARG 35 36.913 18.835 2.305
276 1HB ARG 35 HB2 ARG 35 38.434 16.619 3.194
277 2HB ARG 35 HB1 ARG 35 39.536 17.994 3.120
278 1HG ARG 35 HG2 ARG 35 38.674 18.878 4.962
279 2HG ARG 35 HG1 ARG 35 37.032 18.754 4.326
280 1HD ARG 35 HD2 ARG 35 37.907 16.140 4.996
281 2HD ARG 35 HD1 ARG 35 38.287 17.197 6.355
282 HE ARG 35 HE ARG 35 35.703 16.309 5.542
283 1HH1 ARG 35 HH11 ARG 35 37.389 19.010 7.010
284 2HH1 ARG 35 HH12 ARG 35 35.992 19.583 7.871
285 1HH2 ARG 35 HH21 ARG 35 33.859 17.058 6.678
286 2HH2 ARG 35 HH22 ARG 35 33.991 18.482 7.677
287 H TYR 36 HN TYR 36 37.682 20.736 1.684
288 HA TYR 36 HA TYR 36 39.866 20.759 -0.292
289 1HB TYR 36 HB2 TYR 36 38.100 23.135 0.101
290 2HB TYR 36 HB1 TYR 36 38.887 22.556 -1.358
291 HD1 TYR 36 HD1 TYR 36 35.827 22.777 0.403
292 HD2 TYR 36 HD2 TYR 36 37.941 20.353 -2.379
293 HE1 TYR 36 HE1 TYR 36 33.705 21.789 -0.343
294 HE2 TYR 36 HE2 TYR 36 35.821 19.358 -3.130
295 HH TYR 36 HH TYR 36 32.918 20.666 -2.623
296 1HN NH2 37 H1 NH2 37 41.962 22.687 1.705
297 2HN NH2 37 H2 NH2 37 41.753 21.625 0.356
Start of MODEL 16
1 1H TYR 1 HT1 TYR 1 30.258 -1.950 -9.609
2 2H TYR 1 HT2 TYR 1 31.412 -1.610 -8.422
3 3H TYR 1 HT3 TYR 1 30.254 -0.449 -8.834
4 HA TYR 1 HA TYR 1 28.502 -1.964 -8.073
5 1HB TYR 1 HB2 TYR 1 30.912 -3.578 -7.257
6 2HB TYR 1 HB1 TYR 1 29.362 -3.764 -6.443
7 HD1 TYR 1 HD1 TYR 1 27.407 -3.659 -8.555
8 HD2 TYR 1 HD2 TYR 1 31.274 -5.428 -8.585
9 HE1 TYR 1 HE1 TYR 1 26.676 -5.212 -10.315
10 HE2 TYR 1 HE2 TYR 1 30.556 -6.987 -10.347
11 HH TYR 1 HH TYR 1 27.261 -7.374 -11.235
12 HA PRO 2 HA PRO 2 30.031 -0.427 -3.827
13 1HB PRO 2 HB2 PRO 2 32.570 0.375 -3.452
14 2HB PRO 2 HB1 PRO 2 32.095 -1.323 -3.310
15 1HG PRO 2 HG2 PRO 2 33.415 0.095 -5.587
16 2HG PRO 2 HG1 PRO 2 33.767 -1.504 -4.907
17 1HD PRO 2 HD2 PRO 2 32.284 -1.123 -7.171
18 2HD PRO 2 HD1 PRO 2 32.088 -2.518 -6.092
19 H ILE 3 HN ILE 3 28.705 1.207 -5.038
20 HA ILE 3 HA ILE 3 30.172 3.755 -5.098
21 HB ILE 3 HB ILE 3 29.387 3.183 -7.335
22 1HG1 ILE 3 HG12 ILE 3 27.502 5.255 -7.176
23 2HG1 ILE 3 HG11 ILE 3 28.650 5.562 -5.878
24 1HG2 ILE 3 HG21 ILE 3 27.254 2.049 -6.105
25 2HG2 ILE 3 HG22 ILE 3 27.359 2.387 -7.836
26 3HG2 ILE 3 HG23 ILE 3 26.545 3.525 -6.758
27 1HD1 ILE 3 HD11 ILE 3 30.477 5.360 -7.556
28 2HD1 ILE 3 HD12 ILE 3 29.388 6.724 -7.813
29 3HD1 ILE 3 HD13 ILE 3 29.239 5.272 -8.807
30 H LYS 4 HN LYS 4 27.091 2.201 -4.314
31 HA LYS 4 HA LYS 4 26.861 3.454 -1.831
32 1HB LYS 4 HB2 LYS 4 26.274 5.329 -3.625
33 2HB LYS 4 HB1 LYS 4 24.706 4.532 -3.595
34 1HG LYS 4 HG2 LYS 4 25.816 5.090 -0.946
35 2HG LYS 4 HG1 LYS 4 25.480 6.525 -1.916
36 1HD LYS 4 HD2 LYS 4 23.293 6.312 -1.584
37 2HD LYS 4 HD1 LYS 4 23.321 4.637 -2.133
38 1HE LYS 4 HE2 LYS 4 24.492 4.721 0.448
39 2HE LYS 4 HE1 LYS 4 22.997 5.652 0.510
40 1HZ LYS 4 HZ1 LYS 4 23.371 2.804 -0.162
41 2HZ LYS 4 HZ2 LYS 4 21.988 3.632 -0.680
42 3HZ LYS 4 HZ3 LYS 4 22.328 3.494 0.980
43 HA PRO 5 HA PRO 5 24.165 -0.241 -2.798
44 1HB PRO 5 HB2 PRO 5 25.010 -1.744 -0.686
45 2HB PRO 5 HB1 PRO 5 25.793 -1.768 -2.267
46 1HG PRO 5 HG2 PRO 5 26.589 -0.324 0.224
47 2HG PRO 5 HG1 PRO 5 27.608 -1.163 -0.960
48 1HD PRO 5 HD2 PRO 5 27.325 1.539 -0.904
49 2HD PRO 5 HD1 PRO 5 27.638 0.635 -2.396
50 H GLU 6 HN GLU 6 22.223 -0.657 -1.833
51 HA GLU 6 HA GLU 6 21.538 0.970 0.502
52 1HB GLU 6 HB2 GLU 6 19.555 -0.593 -1.123
53 2HB GLU 6 HB1 GLU 6 19.308 0.881 -0.198
54 1HG GLU 6 HG2 GLU 6 21.199 1.092 -2.438
55 2HG GLU 6 HG1 GLU 6 19.517 0.791 -2.877
56 H ALA 7 HN ALA 7 21.666 -2.325 -0.633
57 HA ALA 7 HA ALA 7 21.384 -3.354 2.053
58 1HB ALA 7 HB1 ALA 7 19.167 -3.695 1.809
59 2HB ALA 7 HB2 ALA 7 19.643 -5.028 0.759
60 3HB ALA 7 HB3 ALA 7 19.229 -3.462 0.062
61 HA PRO 8 HA PRO 8 23.995 -6.623 0.421
62 1HB PRO 8 HB2 PRO 8 22.100 -8.756 1.191
63 2HB PRO 8 HB1 PRO 8 23.763 -8.481 1.723
64 1HG PRO 8 HG2 PRO 8 21.693 -8.018 3.351
65 2HG PRO 8 HG1 PRO 8 23.131 -6.978 3.364
66 1HD PRO 8 HD2 PRO 8 20.459 -6.504 2.099
67 2HD PRO 8 HD1 PRO 8 21.490 -5.377 3.003
68 H GLY 9 HN GLY 9 23.013 -9.261 -0.462
69 1HA GLY 9 HA2 GLY 9 22.367 -8.395 -3.174
70 2HA GLY 9 HA1 GLY 9 22.997 -9.972 -2.707
71 H GLU 10 HN GLU 10 21.355 -10.904 -0.880
72 HA GLU 10 HA GLU 10 18.603 -10.426 -1.289
73 1HB GLU 10 HB2 GLU 10 19.880 -12.366 -3.072
74 2HB GLU 10 HB1 GLU 10 18.540 -13.053 -2.166
75 1HG GLU 10 HG2 GLU 10 18.537 -10.874 -4.199
76 2HG GLU 10 HG1 GLU 10 17.530 -12.315 -4.099
77 H ASP 11 HN ASP 11 21.163 -12.566 -0.263
78 HA ASP 11 HA ASP 11 19.419 -14.049 1.518
79 1HB ASP 11 HB2 ASP 11 21.250 -15.149 0.215
80 2HB ASP 11 HB1 ASP 11 22.415 -14.258 1.187
81 H ALA 12 HN ALA 12 22.149 -11.821 1.733
82 HA ALA 12 HA ALA 12 22.947 -10.502 3.390
83 1HB ALA 12 HB1 ALA 12 20.651 -11.087 5.196
84 2HB ALA 12 HB2 ALA 12 20.386 -10.137 3.734
85 3HB ALA 12 HB3 ALA 12 21.538 -9.583 4.951
86 H SER 13 HN SER 13 23.473 -13.366 3.252
87 HA SER 13 HA SER 13 23.851 -14.499 5.784
88 1HB SER 13 HB2 SER 13 25.060 -14.836 3.082
89 2HB SER 13 HB1 SER 13 25.955 -15.499 4.449
90 HG SER 13 HG SER 13 23.205 -16.024 3.919
91 HA PRO 14 HA PRO 14 27.112 -12.519 8.018
92 1HB PRO 14 HB2 PRO 14 29.205 -14.424 7.503
93 2HB PRO 14 HB1 PRO 14 28.270 -14.186 8.980
94 1HG PRO 14 HG2 PRO 14 27.909 -16.165 6.833
95 2HG PRO 14 HG1 PRO 14 27.348 -16.211 8.512
96 1HD PRO 14 HD2 PRO 14 25.663 -15.850 6.433
97 2HD PRO 14 HD1 PRO 14 25.389 -15.093 8.016
98 H GLU 15 HN GLU 15 28.499 -14.020 5.066
99 HA GLU 15 HA GLU 15 30.416 -11.854 4.851
100 1HB GLU 15 HB2 GLU 15 31.167 -13.067 2.787
101 2HB GLU 15 HB1 GLU 15 31.263 -14.007 4.268
102 1HG GLU 15 HG2 GLU 15 28.812 -14.235 2.610
103 2HG GLU 15 HG1 GLU 15 30.288 -15.025 2.055
104 H GLU 16 HN GLU 16 27.325 -12.614 3.643
105 HA GLU 16 HA GLU 16 27.413 -11.072 1.248
106 1HB GLU 16 HB2 GLU 16 25.560 -12.783 2.561
107 2HB GLU 16 HB1 GLU 16 24.765 -11.233 2.322
108 1HG GLU 16 HG2 GLU 16 26.217 -12.285 -0.007
109 2HG GLU 16 HG1 GLU 16 24.803 -13.207 0.502
110 H LEU 17 HN LEU 17 26.027 -10.552 4.481
111 HA LEU 17 HA LEU 17 25.381 -7.834 4.004
112 1HB LEU 17 HB2 LEU 17 24.761 -7.678 6.232
113 2HB LEU 17 HB1 LEU 17 24.479 -9.367 5.862
114 HG LEU 17 HG LEU 17 27.088 -9.304 6.855
115 1HD1 LEU 17 HD11 LEU 17 26.288 -6.929 7.607
116 2HD1 LEU 17 HD12 LEU 17 27.181 -7.968 8.718
117 3HD1 LEU 17 HD13 LEU 17 25.427 -7.836 8.852
118 1HD2 LEU 17 HD21 LEU 17 25.068 -10.896 7.182
119 2HD2 LEU 17 HD22 LEU 17 24.715 -9.885 8.586
120 3HD2 LEU 17 HD23 LEU 17 26.257 -10.734 8.474
121 H ASN 18 HN ASN 18 28.178 -9.468 5.427
122 HA ASN 18 HA ASN 18 29.648 -7.200 6.142
123 1HB ASN 18 HB2 ASN 18 30.690 -9.059 6.958
124 2HB ASN 18 HB1 ASN 18 30.246 -10.046 5.573
125 1HD2 ASN 18 HD21 ASN 18 31.772 -10.499 4.119
126 2HD2 ASN 18 HD22 ASN 18 33.336 -9.766 4.043
127 H ARG 19 HN ARG 19 29.373 -8.904 3.050
128 HA ARG 19 HA ARG 19 31.322 -7.513 1.618
129 1HB ARG 19 HB2 ARG 19 29.146 -9.266 1.009
130 2HB ARG 19 HB1 ARG 19 29.108 -7.913 -0.111
131 1HG ARG 19 HG2 ARG 19 30.940 -10.170 0.042
132 2HG ARG 19 HG1 ARG 19 30.544 -9.119 -1.315
133 1HD ARG 19 HD2 ARG 19 32.371 -8.286 0.925
134 2HD ARG 19 HD1 ARG 19 32.950 -9.105 -0.521
135 HE ARG 19 HE ARG 19 32.332 -6.359 -0.272
136 1HH1 ARG 19 HH11 ARG 19 32.064 -9.005 -2.555
137 2HH1 ARG 19 HH12 ARG 19 32.076 -7.974 -3.953
138 1HH2 ARG 19 HH21 ARG 19 32.387 -5.005 -2.093
139 2HH2 ARG 19 HH22 ARG 19 32.301 -5.697 -3.684
140 H TYR 20 HN TYR 20 27.816 -6.843 1.600
141 HA TYR 20 HA TYR 20 28.081 -4.393 0.226
142 1HB TYR 20 HB2 TYR 20 25.861 -4.591 0.104
143 2HB TYR 20 HB1 TYR 20 25.967 -6.013 1.126
144 HD1 TYR 20 HD1 TYR 20 25.497 -5.824 3.552
145 HD2 TYR 20 HD2 TYR 20 25.007 -2.508 0.938
146 HE1 TYR 20 HE1 TYR 20 24.127 -4.692 5.255
147 HE2 TYR 20 HE2 TYR 20 23.639 -1.367 2.633
148 HH TYR 20 HH TYR 20 22.630 -1.543 4.604
149 H TYR 21 HN TYR 21 28.052 -5.186 3.633
150 HA TYR 21 HA TYR 21 27.702 -2.596 4.663
151 1HB TYR 21 HB2 TYR 21 27.668 -4.996 5.778
152 2HB TYR 21 HB1 TYR 21 29.345 -4.600 6.140
153 HD1 TYR 21 HD1 TYR 21 25.864 -3.862 6.846
154 HD2 TYR 21 HD2 TYR 21 29.884 -2.759 7.627
155 HE1 TYR 21 HE1 TYR 21 25.115 -2.550 8.773
156 HE2 TYR 21 HE2 TYR 21 29.165 -1.444 9.562
157 HH TYR 21 HH TYR 21 26.320 -1.750 11.044
158 H ALA 22 HN ALA 22 30.692 -4.523 4.414
159 HA ALA 22 HA ALA 22 32.311 -2.402 5.356
160 1HB ALA 22 HB1 ALA 22 32.967 -5.011 4.024
161 2HB ALA 22 HB2 ALA 22 33.105 -4.581 5.731
162 3HB ALA 22 HB3 ALA 22 34.203 -3.866 4.547
163 H SER 23 HN SER 23 31.351 -3.446 2.133
164 HA SER 23 HA SER 23 33.224 -1.870 0.724
165 1HB SER 23 HB2 SER 23 30.453 -2.670 -0.197
166 2HB SER 23 HB1 SER 23 31.793 -2.159 -1.222
167 HG SER 23 HG SER 23 31.525 -4.530 0.295
168 H LEU 24 HN LEU 24 29.961 -1.182 1.916
169 HA LEU 24 HA LEU 24 29.856 1.426 0.769
170 1HB LEU 24 HB2 LEU 24 27.735 0.649 1.054
171 2HB LEU 24 HB1 LEU 24 28.138 -0.256 2.498
172 HG LEU 24 HG LEU 24 28.362 2.426 3.256
173 1HD1 LEU 24 HD11 LEU 24 26.351 2.070 1.148
174 2HD1 LEU 24 HD12 LEU 24 27.155 3.532 1.723
175 3HD1 LEU 24 HD13 LEU 24 25.778 2.873 2.610
176 1HD2 LEU 24 HD21 LEU 24 25.918 0.753 3.691
177 2HD2 LEU 24 HD22 LEU 24 26.692 1.894 4.790
178 3HD2 LEU 24 HD23 LEU 24 27.463 0.348 4.438
179 H ARG 25 HN ARG 25 30.532 0.091 3.979
180 HA ARG 25 HA ARG 25 30.727 2.579 5.295
181 1HB ARG 25 HB2 ARG 25 30.988 -0.150 5.994
182 2HB ARG 25 HB1 ARG 25 32.463 0.653 6.513
183 1HG ARG 25 HG2 ARG 25 30.576 0.531 8.195
184 2HG ARG 25 HG1 ARG 25 31.300 2.116 7.932
185 1HD ARG 25 HD2 ARG 25 29.348 2.973 7.296
186 2HD ARG 25 HD1 ARG 25 29.121 1.694 6.102
187 HE ARG 25 HE ARG 25 28.504 0.546 8.519
188 1HH1 ARG 25 HH11 ARG 25 27.350 3.334 6.747
189 2HH1 ARG 25 HH12 ARG 25 25.720 3.198 7.344
190 1HH2 ARG 25 HH21 ARG 25 26.358 0.386 9.335
191 2HH2 ARG 25 HH22 ARG 25 25.171 1.550 8.829
192 H HIS 26 HN HIS 26 33.176 0.511 3.763
193 HA HIS 26 HA HIS 26 35.352 2.227 4.446
194 1HB HIS 26 HB2 HIS 26 35.041 -0.313 3.216
195 2HB HIS 26 HB1 HIS 26 35.942 0.704 2.097
196 HD1 HIS 26 HD1 HIS 26 36.122 -0.677 5.606
197 HD2 HIS 26 HD2 HIS 26 38.561 1.179 2.790
198 HE1 HIS 26 HE1 HIS 26 38.458 -0.826 6.526
199 HE2 HIS 26 HE2 HIS 26 39.893 0.422 4.877
200 H TYR 27 HN TYR 27 33.394 1.754 1.519
201 HA TYR 27 HA TYR 27 34.684 3.629 -0.110
202 1HB TYR 27 HB2 TYR 27 32.882 1.948 -0.782
203 2HB TYR 27 HB1 TYR 27 31.708 3.097 -0.154
204 HD1 TYR 27 HD1 TYR 27 34.742 3.306 -2.336
205 HD2 TYR 27 HD2 TYR 27 30.625 4.261 -1.821
206 HE1 TYR 27 HE1 TYR 27 34.745 4.467 -4.500
207 HE2 TYR 27 HE2 TYR 27 30.613 5.424 -3.971
208 HH TYR 27 HH TYR 27 32.161 6.488 -5.508
209 H LEU 28 HN LEU 28 31.828 4.012 1.994
210 HA LEU 28 HA LEU 28 31.457 6.754 1.482
211 1HB LEU 28 HB2 LEU 28 30.686 4.982 3.772
212 2HB LEU 28 HB1 LEU 28 30.363 6.703 3.836
213 HG LEU 28 HG LEU 28 28.964 4.585 2.390
214 1HD1 LEU 28 HD11 LEU 28 28.422 6.940 3.916
215 2HD1 LEU 28 HD12 LEU 28 27.339 5.617 3.472
216 3HD1 LEU 28 HD13 LEU 28 27.536 6.997 2.390
217 1HD2 LEU 28 HD21 LEU 28 30.188 6.725 0.842
218 2HD2 LEU 28 HD22 LEU 28 28.434 6.692 0.689
219 3HD2 LEU 28 HD23 LEU 28 29.380 5.254 0.299
220 H ASN 29 HN ASN 29 33.387 5.133 3.968
221 HA ASN 29 HA ASN 29 34.135 7.473 5.368
222 1HB ASN 29 HB2 ASN 29 34.323 5.083 6.189
223 2HB ASN 29 HB1 ASN 29 35.760 4.937 5.183
224 1HD2 ASN 29 HD21 ASN 29 34.344 6.821 7.814
225 2HD2 ASN 29 HD22 ASN 29 35.846 7.202 8.587
226 H LEU 30 HN LEU 30 35.613 5.723 2.681
227 HA LEU 30 HA LEU 30 37.956 7.304 2.514
228 1HB LEU 30 HB2 LEU 30 36.538 5.393 0.732
229 2HB LEU 30 HB1 LEU 30 37.681 6.488 -0.021
230 HG LEU 30 HG LEU 30 38.543 4.897 2.358
231 1HD1 LEU 30 HD11 LEU 30 38.198 3.874 -0.447
232 2HD1 LEU 30 HD12 LEU 30 37.618 3.163 1.060
233 3HD1 LEU 30 HD13 LEU 30 39.342 3.163 0.691
234 1HD2 LEU 30 HD21 LEU 30 40.652 5.387 1.660
235 2HD2 LEU 30 HD22 LEU 30 39.810 6.780 0.980
236 3HD2 LEU 30 HD23 LEU 30 40.206 5.401 -0.046
237 H VAL 31 HN VAL 31 34.723 7.603 1.207
238 HA VAL 31 HA VAL 31 35.232 9.729 -0.591
239 HB VAL 31 HB VAL 31 32.732 8.657 0.700
240 1HG1 VAL 31 HG11 VAL 31 31.349 10.213 -0.244
241 2HG1 VAL 31 HG12 VAL 31 32.521 10.664 -1.483
242 3HG1 VAL 31 HG13 VAL 31 32.727 11.231 0.174
243 1HG2 VAL 31 HG21 VAL 31 32.723 7.297 -1.045
244 2HG2 VAL 31 HG22 VAL 31 34.230 8.017 -1.610
245 3HG2 VAL 31 HG23 VAL 31 32.685 8.681 -2.140
246 H THR 32 HN THR 32 34.660 9.599 2.847
247 HA THR 32 HA THR 32 34.025 12.359 3.185
248 HB THR 32 HB THR 32 35.365 11.045 5.454
249 HG1 THR 32 HG1 THR 32 33.299 9.787 4.044
250 1HG2 THR 32 HG21 THR 32 34.038 12.448 6.562
251 2HG2 THR 32 HG22 THR 32 32.599 11.749 5.818
252 3HG2 THR 32 HG23 THR 32 33.467 13.053 5.008
253 H ARG 33 HN ARG 33 36.898 10.717 2.455
254 HA ARG 33 HA ARG 33 38.517 13.022 3.303
255 1HB ARG 33 HB2 ARG 33 39.061 10.509 3.927
256 2HB ARG 33 HB1 ARG 33 39.751 10.489 2.312
257 1HG ARG 33 HG2 ARG 33 41.219 12.334 2.898
258 2HG ARG 33 HG1 ARG 33 40.511 12.392 4.516
259 1HD ARG 33 HD2 ARG 33 41.774 10.697 5.229
260 2HD ARG 33 HD1 ARG 33 41.407 9.727 3.802
261 HE ARG 33 HE ARG 33 43.181 11.279 2.722
262 1HH1 ARG 33 HH11 ARG 33 43.224 10.027 5.989
263 2HH1 ARG 33 HH12 ARG 33 44.957 10.073 6.119
264 1HH2 ARG 33 HH21 ARG 33 45.456 11.341 2.882
265 2HH2 ARG 33 HH22 ARG 33 46.234 10.813 4.345
266 H GLN 34 HN GLN 34 38.716 10.594 0.727
267 HA GLN 34 HA GLN 34 39.110 10.694 -1.489
268 1HB GLN 34 HB2 GLN 34 37.737 13.312 -1.052
269 2HB GLN 34 HB1 GLN 34 38.456 12.969 -2.620
270 1HG GLN 34 HG2 GLN 34 37.135 10.846 -2.659
271 2HG GLN 34 HG1 GLN 34 36.304 11.416 -1.214
272 1HE2 GLN 34 HE21 GLN 34 34.716 12.891 -1.401
273 2HE2 GLN 34 HE22 GLN 34 34.160 13.537 -2.910
274 H ARG 35 HN ARG 35 40.745 12.590 0.670
275 HA ARG 35 HA ARG 35 42.667 13.618 -1.249
276 1HB ARG 35 HB2 ARG 35 42.456 13.836 1.755
277 2HB ARG 35 HB1 ARG 35 43.811 14.475 0.838
278 1HG ARG 35 HG2 ARG 35 40.948 15.362 0.796
279 2HG ARG 35 HG1 ARG 35 42.380 16.296 1.222
280 1HD ARG 35 HD2 ARG 35 41.857 15.197 -1.537
281 2HD ARG 35 HD1 ARG 35 41.393 16.818 -1.027
282 HE ARG 35 HE ARG 35 44.173 16.228 -0.597
283 1HH1 ARG 35 HH11 ARG 35 41.802 17.404 -2.890
284 2HH1 ARG 35 HH12 ARG 35 42.968 18.280 -3.841
285 1HH2 ARG 35 HH21 ARG 35 45.712 17.371 -1.835
286 2HH2 ARG 35 HH22 ARG 35 45.198 18.239 -3.251
287 H TYR 36 HN TYR 36 43.617 11.809 -2.082
288 HA TYR 36 HA TYR 36 45.512 10.440 -0.353
289 1HB TYR 36 HB2 TYR 36 43.130 9.170 -1.543
290 2HB TYR 36 HB1 TYR 36 44.638 8.313 -1.836
291 HD1 TYR 36 HD1 TYR 36 46.099 7.809 0.246
292 HD2 TYR 36 HD2 TYR 36 41.979 8.853 0.448
293 HE1 TYR 36 HE1 TYR 36 45.964 6.803 2.487
294 HE2 TYR 36 HE2 TYR 36 41.830 7.855 2.689
295 HH TYR 36 HH TYR 36 44.527 7.063 4.542
296 1HN NH2 37 H1 NH2 37 47.476 9.814 -3.267
297 2HN NH2 37 H2 NH2 37 47.155 9.258 -1.664
Start of MODEL 17
1 1H TYR 1 HT1 TYR 1 37.126 -3.810 -5.489
2 2H TYR 1 HT2 TYR 1 35.745 -4.764 -5.706
3 3H TYR 1 HT3 TYR 1 36.881 -5.181 -4.525
4 HA TYR 1 HA TYR 1 35.394 -4.194 -3.182
5 1HB TYR 1 HB2 TYR 1 35.923 -1.527 -3.373
6 2HB TYR 1 HB1 TYR 1 36.945 -2.679 -2.526
7 HD1 TYR 1 HD1 TYR 1 39.195 -2.721 -3.030
8 HD2 TYR 1 HD2 TYR 1 36.476 -1.249 -5.960
9 HE1 TYR 1 HE1 TYR 1 41.086 -2.120 -4.481
10 HE2 TYR 1 HE2 TYR 1 38.365 -0.646 -7.415
11 HH TYR 1 HH TYR 1 41.378 -1.822 -7.081
12 HA PRO 2 HA PRO 2 31.662 -2.742 -5.041
13 1HB PRO 2 HB2 PRO 2 30.648 -1.095 -3.116
14 2HB PRO 2 HB1 PRO 2 30.621 -2.859 -2.994
15 1HG PRO 2 HG2 PRO 2 32.532 -0.902 -1.777
16 2HG PRO 2 HG1 PRO 2 31.767 -2.324 -1.042
17 1HD PRO 2 HD2 PRO 2 34.306 -2.382 -1.935
18 2HD PRO 2 HD1 PRO 2 33.239 -3.797 -2.054
19 H ILE 3 HN ILE 3 31.171 -1.220 -6.484
20 HA ILE 3 HA ILE 3 32.562 1.376 -6.327
21 HB ILE 3 HB ILE 3 31.034 0.795 -8.758
22 1HG1 ILE 3 HG12 ILE 3 33.364 -0.954 -7.968
23 2HG1 ILE 3 HG11 ILE 3 31.752 -1.453 -8.476
24 1HG2 ILE 3 HG21 ILE 3 33.363 2.227 -7.871
25 2HG2 ILE 3 HG22 ILE 3 32.326 2.494 -9.270
26 3HG2 ILE 3 HG23 ILE 3 33.668 1.354 -9.373
27 1HD1 ILE 3 HD11 ILE 3 32.216 -0.614 -10.727
28 2HD1 ILE 3 HD12 ILE 3 33.369 -1.851 -10.232
29 3HD1 ILE 3 HD13 ILE 3 33.838 -0.153 -10.213
30 H LYS 4 HN LYS 4 29.507 -0.108 -7.114
31 HA LYS 4 HA LYS 4 28.129 2.263 -6.057
32 1HB LYS 4 HB2 LYS 4 28.079 1.190 -8.726
33 2HB LYS 4 HB1 LYS 4 26.470 1.100 -8.016
34 1HG LYS 4 HG2 LYS 4 28.147 3.600 -8.126
35 2HG LYS 4 HG1 LYS 4 26.895 3.182 -9.298
36 1HD LYS 4 HD2 LYS 4 25.825 2.940 -6.657
37 2HD LYS 4 HD1 LYS 4 26.600 4.517 -6.824
38 1HE LYS 4 HE2 LYS 4 24.456 4.943 -7.573
39 2HE LYS 4 HE1 LYS 4 25.328 4.632 -9.074
40 1HZ LYS 4 HZ1 LYS 4 23.163 3.493 -8.935
41 2HZ LYS 4 HZ2 LYS 4 23.725 2.598 -7.613
42 3HZ LYS 4 HZ3 LYS 4 24.456 2.420 -9.137
43 HA PRO 5 HA PRO 5 26.676 -1.527 -3.892
44 1HB PRO 5 HB2 PRO 5 26.620 0.117 -1.507
45 2HB PRO 5 HB1 PRO 5 27.617 -1.295 -1.850
46 1HG PRO 5 HG2 PRO 5 28.615 1.236 -1.637
47 2HG PRO 5 HG1 PRO 5 29.365 -0.035 -2.618
48 1HD PRO 5 HD2 PRO 5 27.614 2.237 -3.466
49 2HD PRO 5 HD1 PRO 5 29.062 1.573 -4.255
50 H GLU 6 HN GLU 6 24.581 -1.800 -4.384
51 HA GLU 6 HA GLU 6 22.655 0.209 -3.425
52 1HB GLU 6 HB2 GLU 6 22.963 -0.949 -5.982
53 2HB GLU 6 HB1 GLU 6 21.504 -1.653 -5.295
54 1HG GLU 6 HG2 GLU 6 20.460 0.160 -6.025
55 2HG GLU 6 HG1 GLU 6 21.238 1.008 -4.689
56 H ALA 7 HN ALA 7 23.880 -2.029 -1.958
57 HA ALA 7 HA ALA 7 23.318 -3.549 -0.373
58 1HB ALA 7 HB1 ALA 7 21.551 -2.265 0.444
59 2HB ALA 7 HB2 ALA 7 20.824 -3.841 0.137
60 3HB ALA 7 HB3 ALA 7 20.574 -2.518 -1.000
61 HA PRO 8 HA PRO 8 22.854 -7.044 -3.088
62 1HB PRO 8 HB2 PRO 8 23.919 -8.752 -1.073
63 2HB PRO 8 HB1 PRO 8 24.785 -8.025 -2.423
64 1HG PRO 8 HG2 PRO 8 25.165 -7.428 0.273
65 2HG PRO 8 HG1 PRO 8 25.726 -6.454 -1.095
66 1HD PRO 8 HD2 PRO 8 23.354 -6.074 0.660
67 2HD PRO 8 HD1 PRO 8 24.381 -4.864 -0.136
68 H GLY 9 HN GLY 9 20.444 -6.630 -2.530
69 1HA GLY 9 HA2 GLY 9 18.462 -7.799 -2.202
70 2HA GLY 9 HA1 GLY 9 19.379 -9.090 -1.436
71 H GLU 10 HN GLU 10 20.034 -5.942 -0.363
72 HA GLU 10 HA GLU 10 19.631 -4.740 1.492
73 1HB GLU 10 HB2 GLU 10 17.084 -5.931 0.876
74 2HB GLU 10 HB1 GLU 10 17.283 -5.779 2.618
75 1HG GLU 10 HG2 GLU 10 17.911 -3.471 0.837
76 2HG GLU 10 HG1 GLU 10 16.238 -3.837 1.262
77 H ASP 11 HN ASP 11 18.019 -7.656 2.689
78 HA ASP 11 HA ASP 11 19.479 -7.672 5.112
79 1HB ASP 11 HB2 ASP 11 17.216 -8.692 4.814
80 2HB ASP 11 HB1 ASP 11 17.953 -9.966 3.848
81 H ALA 12 HN ALA 12 19.749 -9.526 2.133
82 HA ALA 12 HA ALA 12 21.442 -10.655 1.153
83 1HB ALA 12 HB1 ALA 12 23.790 -9.969 2.360
84 2HB ALA 12 HB2 ALA 12 22.765 -8.586 2.742
85 3HB ALA 12 HB3 ALA 12 23.007 -9.066 1.062
86 H SER 13 HN SER 13 23.886 -11.594 2.285
87 HA SER 13 HA SER 13 22.875 -13.591 4.205
88 1HB SER 13 HB2 SER 13 25.125 -14.562 2.682
89 2HB SER 13 HB1 SER 13 23.496 -15.229 2.795
90 HG SER 13 HG SER 13 24.238 -13.061 1.093
91 HA PRO 14 HA PRO 14 26.124 -12.453 7.013
92 1HB PRO 14 HB2 PRO 14 26.589 -15.386 7.284
93 2HB PRO 14 HB1 PRO 14 26.302 -14.171 8.537
94 1HG PRO 14 HG2 PRO 14 24.369 -15.852 7.852
95 2HG PRO 14 HG1 PRO 14 24.001 -14.146 8.164
96 1HD PRO 14 HD2 PRO 14 24.258 -15.579 5.552
97 2HD PRO 14 HD1 PRO 14 23.096 -14.330 6.043
98 H GLU 15 HN GLU 15 28.256 -12.101 6.945
99 HA GLU 15 HA GLU 15 30.434 -12.096 6.336
100 1HB GLU 15 HB2 GLU 15 29.856 -14.780 6.108
101 2HB GLU 15 HB1 GLU 15 30.430 -14.375 4.494
102 1HG GLU 15 HG2 GLU 15 32.047 -15.103 6.499
103 2HG GLU 15 HG1 GLU 15 32.542 -14.052 5.173
104 H GLU 16 HN GLU 16 28.213 -12.992 3.755
105 HA GLU 16 HA GLU 16 29.578 -11.660 1.665
106 1HB GLU 16 HB2 GLU 16 27.882 -13.344 1.219
107 2HB GLU 16 HB1 GLU 16 26.664 -12.372 2.033
108 1HG GLU 16 HG2 GLU 16 27.564 -10.645 0.127
109 2HG GLU 16 HG1 GLU 16 27.702 -12.197 -0.696
110 H LEU 17 HN LEU 17 26.682 -10.773 3.522
111 HA LEU 17 HA LEU 17 26.678 -8.062 2.717
112 1HB LEU 17 HB2 LEU 17 24.710 -8.038 3.767
113 2HB LEU 17 HB1 LEU 17 24.971 -9.727 4.144
114 HG LEU 17 HG LEU 17 26.320 -8.163 6.110
115 1HD1 LEU 17 HD11 LEU 17 23.401 -7.458 5.873
116 2HD1 LEU 17 HD12 LEU 17 24.710 -6.394 5.357
117 3HD1 LEU 17 HD13 LEU 17 24.568 -6.858 7.052
118 1HD2 LEU 17 HD21 LEU 17 23.911 -9.359 7.075
119 2HD2 LEU 17 HD22 LEU 17 25.578 -9.885 7.300
120 3HD2 LEU 17 HD23 LEU 17 24.660 -10.437 5.899
121 H ASN 18 HN ASN 18 28.294 -9.809 5.271
122 HA ASN 18 HA ASN 18 29.012 -7.550 6.847
123 1HB ASN 18 HB2 ASN 18 29.084 -9.742 7.856
124 2HB ASN 18 HB1 ASN 18 30.227 -10.316 6.646
125 1HD2 ASN 18 HD21 ASN 18 32.194 -10.526 7.420
126 2HD2 ASN 18 HD22 ASN 18 32.939 -9.487 8.591
127 H ARG 19 HN ARG 19 30.649 -9.383 4.293
128 HA ARG 19 HA ARG 19 33.085 -7.970 4.341
129 1HB ARG 19 HB2 ARG 19 31.750 -9.881 2.599
130 2HB ARG 19 HB1 ARG 19 32.678 -8.696 1.688
131 1HG ARG 19 HG2 ARG 19 34.512 -9.865 2.103
132 2HG ARG 19 HG1 ARG 19 34.320 -9.508 3.820
133 1HD ARG 19 HD2 ARG 19 33.277 -11.527 4.255
134 2HD ARG 19 HD1 ARG 19 32.772 -11.743 2.579
135 HE ARG 19 HE ARG 19 35.054 -12.336 2.039
136 1HH1 ARG 19 HH11 ARG 19 34.225 -12.271 5.454
137 2HH1 ARG 19 HH12 ARG 19 35.553 -13.300 5.919
138 1HH2 ARG 19 HH21 ARG 19 36.782 -13.674 2.650
139 2HH2 ARG 19 HH22 ARG 19 37.021 -14.079 4.326
140 H TYR 20 HN TYR 20 30.248 -7.583 2.245
141 HA TYR 20 HA TYR 20 31.160 -5.274 0.928
142 1HB TYR 20 HB2 TYR 20 29.386 -5.847 -0.312
143 2HB TYR 20 HB1 TYR 20 28.797 -6.914 0.954
144 HD1 TYR 20 HD1 TYR 20 28.390 -3.734 -0.719
145 HD2 TYR 20 HD2 TYR 20 27.216 -6.041 2.656
146 HE1 TYR 20 HE1 TYR 20 26.468 -2.240 -0.379
147 HE2 TYR 20 HE2 TYR 20 25.288 -4.548 3.013
148 HH TYR 20 HH TYR 20 24.456 -2.439 2.459
149 H TYR 21 HN TYR 21 29.579 -5.781 3.966
150 HA TYR 21 HA TYR 21 28.522 -3.257 4.502
151 1HB TYR 21 HB2 TYR 21 28.540 -5.587 5.824
152 2HB TYR 21 HB1 TYR 21 29.792 -4.752 6.735
153 HD1 TYR 21 HD1 TYR 21 26.280 -4.386 5.559
154 HD2 TYR 21 HD2 TYR 21 29.223 -3.287 8.426
155 HE1 TYR 21 HE1 TYR 21 24.554 -3.241 6.882
156 HE2 TYR 21 HE2 TYR 21 27.520 -2.137 9.753
157 HH TYR 21 HH TYR 21 24.083 -2.234 8.806
158 H ALA 22 HN ALA 22 31.598 -4.587 5.691
159 HA ALA 22 HA ALA 22 32.453 -2.065 6.681
160 1HB ALA 22 HB1 ALA 22 33.249 -4.032 7.738
161 2HB ALA 22 HB2 ALA 22 34.637 -3.223 7.005
162 3HB ALA 22 HB3 ALA 22 33.931 -4.641 6.229
163 H SER 23 HN SER 23 32.866 -3.736 3.633
164 HA SER 23 HA SER 23 34.889 -2.063 2.580
165 1HB SER 23 HB2 SER 23 32.705 -3.570 1.118
166 2HB SER 23 HB1 SER 23 34.170 -2.912 0.388
167 HG SER 23 HG SER 23 33.922 -5.041 2.244
168 H LEU 24 HN LEU 24 31.378 -1.811 2.687
169 HA LEU 24 HA LEU 24 31.186 0.516 1.071
170 1HB LEU 24 HB2 LEU 24 29.205 -0.722 1.189
171 2HB LEU 24 HB1 LEU 24 29.341 -0.961 2.919
172 HG LEU 24 HG LEU 24 29.028 1.848 2.309
173 1HD1 LEU 24 HD11 LEU 24 27.782 1.481 0.423
174 2HD1 LEU 24 HD12 LEU 24 26.531 1.416 1.666
175 3HD1 LEU 24 HD13 LEU 24 27.180 -0.079 0.988
176 1HD2 LEU 24 HD21 LEU 24 27.887 1.761 4.225
177 2HD2 LEU 24 HD22 LEU 24 28.409 0.081 4.326
178 3HD2 LEU 24 HD23 LEU 24 26.832 0.473 3.640
179 H ARG 25 HN ARG 25 31.525 -0.166 4.503
180 HA ARG 25 HA ARG 25 31.185 2.435 5.484
181 1HB ARG 25 HB2 ARG 25 32.257 -0.077 6.452
182 2HB ARG 25 HB1 ARG 25 33.209 1.281 7.030
183 1HG ARG 25 HG2 ARG 25 31.706 1.490 8.648
184 2HG ARG 25 HG1 ARG 25 30.599 2.095 7.416
185 1HD ARG 25 HD2 ARG 25 29.296 0.312 7.639
186 2HD ARG 25 HD1 ARG 25 30.658 -0.763 7.321
187 HE ARG 25 HE ARG 25 31.048 -0.927 9.647
188 1HH1 ARG 25 HH11 ARG 25 28.200 0.967 8.853
189 2HH1 ARG 25 HH12 ARG 25 27.526 0.862 10.459
190 1HH2 ARG 25 HH21 ARG 25 30.135 -1.115 11.732
191 2HH2 ARG 25 HH22 ARG 25 28.616 -0.345 12.088
192 H HIS 26 HN HIS 26 34.077 0.763 4.300
193 HA HIS 26 HA HIS 26 35.807 2.996 4.674
194 1HB HIS 26 HB2 HIS 26 36.327 0.420 4.339
195 2HB HIS 26 HB1 HIS 26 36.415 0.891 2.645
196 HD1 HIS 26 HD1 HIS 26 38.068 1.590 5.966
197 HD2 HIS 26 HD2 HIS 26 38.718 2.181 1.898
198 HE1 HIS 26 HE1 HIS 26 40.433 2.447 5.770
199 HE2 HIS 26 HE2 HIS 26 40.849 2.668 3.288
200 H TYR 27 HN TYR 27 34.169 1.616 1.830
201 HA TYR 27 HA TYR 27 35.185 3.420 -0.056
202 1HB TYR 27 HB2 TYR 27 34.007 1.321 -0.645
203 2HB TYR 27 HB1 TYR 27 32.495 2.034 -0.097
204 HD1 TYR 27 HD1 TYR 27 35.248 3.442 -2.202
205 HD2 TYR 27 HD2 TYR 27 31.153 2.307 -1.968
206 HE1 TYR 27 HE1 TYR 27 34.868 4.375 -4.443
207 HE2 TYR 27 HE2 TYR 27 30.758 3.228 -4.204
208 HH TYR 27 HH TYR 27 31.762 3.982 -6.087
209 H LEU 28 HN LEU 28 32.173 3.527 1.836
210 HA LEU 28 HA LEU 28 31.294 6.013 0.817
211 1HB LEU 28 HB2 LEU 28 30.560 4.224 2.991
212 2HB LEU 28 HB1 LEU 28 30.352 5.909 3.426
213 HG LEU 28 HG LEU 28 28.305 4.817 2.494
214 1HD1 LEU 28 HD11 LEU 28 29.510 7.330 1.673
215 2HD1 LEU 28 HD12 LEU 28 27.863 6.982 2.201
216 3HD1 LEU 28 HD13 LEU 28 28.320 6.735 0.516
217 1HD2 LEU 28 HD21 LEU 28 28.449 3.591 0.653
218 2HD2 LEU 28 HD22 LEU 28 30.139 4.053 0.440
219 3HD2 LEU 28 HD23 LEU 28 28.857 5.042 -0.259
220 H ASN 29 HN ASN 29 33.361 5.192 3.569
221 HA ASN 29 HA ASN 29 33.597 7.764 4.656
222 1HB ASN 29 HB2 ASN 29 34.625 6.454 6.158
223 2HB ASN 29 HB1 ASN 29 34.900 5.191 4.964
224 1HD2 ASN 29 HD21 ASN 29 36.234 7.922 6.618
225 2HD2 ASN 29 HD22 ASN 29 37.865 7.711 6.075
226 H LEU 30 HN LEU 30 35.186 6.242 1.946
227 HA LEU 30 HA LEU 30 37.297 8.086 1.614
228 1HB LEU 30 HB2 LEU 30 35.907 6.278 -0.358
229 2HB LEU 30 HB1 LEU 30 37.344 7.208 -0.740
230 HG LEU 30 HG LEU 30 37.218 5.135 1.450
231 1HD1 LEU 30 HD11 LEU 30 37.082 3.683 -0.260
232 2HD1 LEU 30 HD12 LEU 30 38.800 4.041 -0.450
233 3HD1 LEU 30 HD13 LEU 30 37.607 4.872 -1.453
234 1HD2 LEU 30 HD21 LEU 30 39.099 7.147 0.836
235 2HD2 LEU 30 HD22 LEU 30 39.815 5.610 0.358
236 3HD2 LEU 30 HD23 LEU 30 39.245 5.840 2.012
237 H VAL 31 HN VAL 31 33.927 8.172 0.650
238 HA VAL 31 HA VAL 31 34.439 10.471 -1.070
239 HB VAL 31 HB VAL 31 32.155 10.353 -1.794
240 1HG1 VAL 31 HG11 VAL 31 33.961 8.112 -1.947
241 2HG1 VAL 31 HG12 VAL 31 32.932 8.815 -3.194
242 3HG1 VAL 31 HG13 VAL 31 32.285 7.589 -2.104
243 1HG2 VAL 31 HG21 VAL 31 31.211 7.980 -0.541
244 2HG2 VAL 31 HG22 VAL 31 30.512 9.600 -0.517
245 3HG2 VAL 31 HG23 VAL 31 31.691 9.129 0.708
246 H THR 32 HN THR 32 33.264 9.756 2.114
247 HA THR 32 HA THR 32 31.920 12.203 2.622
248 HB THR 32 HB THR 32 33.386 10.703 4.773
249 HG1 THR 32 HG1 THR 32 31.286 9.804 3.146
250 1HG2 THR 32 HG21 THR 32 30.803 12.236 4.589
251 2HG2 THR 32 HG22 THR 32 32.211 12.584 5.593
252 3HG2 THR 32 HG23 THR 32 31.189 11.193 5.957
253 H ARG 33 HN ARG 33 35.153 11.502 2.087
254 HA ARG 33 HA ARG 33 36.616 13.290 3.589
255 1HB ARG 33 HB2 ARG 33 37.224 11.645 1.596
256 2HB ARG 33 HB1 ARG 33 37.115 13.120 0.646
257 1HG ARG 33 HG2 ARG 33 38.776 14.150 2.192
258 2HG ARG 33 HG1 ARG 33 38.961 12.568 2.955
259 1HD ARG 33 HD2 ARG 33 39.166 12.163 0.176
260 2HD ARG 33 HD1 ARG 33 40.163 13.565 0.555
261 HE ARG 33 HE ARG 33 40.537 11.280 2.294
262 1HH1 ARG 33 HH11 ARG 33 41.576 12.912 -0.624
263 2HH1 ARG 33 HH12 ARG 33 43.176 12.224 -0.593
264 1HH2 ARG 33 HH21 ARG 33 42.610 10.357 2.335
265 2HH2 ARG 33 HH22 ARG 33 43.771 10.764 1.094
266 H GLN 34 HN GLN 34 34.966 13.865 0.523
267 HA GLN 34 HA GLN 34 33.796 16.266 0.920
268 1HB GLN 34 HB2 GLN 34 35.359 17.922 -0.137
269 2HB GLN 34 HB1 GLN 34 35.861 17.378 1.455
270 1HG GLN 34 HG2 GLN 34 37.852 17.258 0.390
271 2HG GLN 34 HG1 GLN 34 37.253 15.644 0.016
272 1HE2 GLN 34 HE21 GLN 34 36.467 18.816 -1.361
273 2HE2 GLN 34 HE22 GLN 34 36.909 18.407 -2.982
274 H ARG 35 HN ARG 35 35.419 14.049 -1.088
275 HA ARG 35 HA ARG 35 34.661 15.213 -3.602
276 1HB ARG 35 HB2 ARG 35 35.686 13.165 -4.563
277 2HB ARG 35 HB1 ARG 35 36.757 14.031 -3.472
278 1HG ARG 35 HG2 ARG 35 36.086 12.393 -1.683
279 2HG ARG 35 HG1 ARG 35 35.281 11.462 -2.948
280 1HD ARG 35 HD2 ARG 35 37.689 11.827 -4.096
281 2HD ARG 35 HD1 ARG 35 38.160 11.831 -2.398
282 HE ARG 35 HE ARG 35 37.664 9.592 -2.270
283 1HH1 ARG 35 HH11 ARG 35 36.476 10.871 -5.313
284 2HH1 ARG 35 HH12 ARG 35 36.149 9.305 -5.983
285 1HH2 ARG 35 HH21 ARG 35 37.237 7.543 -3.160
286 2HH2 ARG 35 HH22 ARG 35 36.573 7.417 -4.766
287 H TYR 36 HN TYR 36 32.371 15.002 -2.320
288 HA TYR 36 HA TYR 36 30.960 12.889 -3.790
289 1HB TYR 36 HB2 TYR 36 31.350 12.459 -1.206
290 2HB TYR 36 HB1 TYR 36 30.000 13.576 -1.042
291 HD1 TYR 36 HD1 TYR 36 28.333 12.128 -0.220
292 HD2 TYR 36 HD2 TYR 36 30.468 11.058 -3.739
293 HE1 TYR 36 HE1 TYR 36 26.764 10.273 -0.600
294 HE2 TYR 36 HE2 TYR 36 28.902 9.202 -4.131
295 HH TYR 36 HH TYR 36 26.297 8.787 -3.360
296 1HN NH2 37 H1 NH2 37 29.379 16.547 -2.847
297 2HN NH2 37 H2 NH2 37 30.689 15.907 -1.922
Start of MODEL 18
1 1H TYR 1 HT1 TYR 1 36.860 -0.520 -9.456
2 2H TYR 1 HT2 TYR 1 37.764 -0.826 -8.056
3 3H TYR 1 HT3 TYR 1 38.488 -0.049 -9.375
4 HA TYR 1 HA TYR 1 37.917 1.461 -7.523
5 1HB TYR 1 HB2 TYR 1 37.590 1.808 -10.281
6 2HB TYR 1 HB1 TYR 1 36.131 2.494 -9.576
7 HD1 TYR 1 HD1 TYR 1 37.031 4.622 -10.635
8 HD2 TYR 1 HD2 TYR 1 38.983 2.663 -7.402
9 HE1 TYR 1 HE1 TYR 1 38.255 6.692 -10.129
10 HE2 TYR 1 HE2 TYR 1 40.208 4.732 -6.880
11 HH TYR 1 HH TYR 1 40.724 6.802 -7.572
12 HA PRO 2 HA PRO 2 34.009 0.587 -5.551
13 1HB PRO 2 HB2 PRO 2 34.004 2.806 -3.941
14 2HB PRO 2 HB1 PRO 2 34.870 1.311 -3.569
15 1HG PRO 2 HG2 PRO 2 35.897 3.859 -4.743
16 2HG PRO 2 HG1 PRO 2 36.651 2.792 -3.545
17 1HD PRO 2 HD2 PRO 2 37.395 2.791 -6.135
18 2HD PRO 2 HD1 PRO 2 37.406 1.315 -5.152
19 H ILE 3 HN ILE 3 33.925 3.978 -5.201
20 HA ILE 3 HA ILE 3 32.555 5.622 -5.806
21 HB ILE 3 HB ILE 3 32.339 6.155 -7.965
22 1HG1 ILE 3 HG12 ILE 3 32.039 3.379 -9.050
23 2HG1 ILE 3 HG11 ILE 3 30.660 4.170 -8.292
24 1HG2 ILE 3 HG21 ILE 3 34.078 5.047 -9.376
25 2HG2 ILE 3 HG22 ILE 3 34.304 3.895 -8.058
26 3HG2 ILE 3 HG23 ILE 3 34.628 5.609 -7.796
27 1HD1 ILE 3 HD11 ILE 3 30.446 4.601 -10.576
28 2HD1 ILE 3 HD12 ILE 3 32.155 4.989 -10.753
29 3HD1 ILE 3 HD13 ILE 3 31.083 6.094 -9.892
30 H LYS 4 HN LYS 4 31.244 2.443 -6.519
31 HA LYS 4 HA LYS 4 29.028 2.935 -4.808
32 1HB LYS 4 HB2 LYS 4 28.348 3.997 -7.058
33 2HB LYS 4 HB1 LYS 4 28.259 2.347 -7.662
34 1HG LYS 4 HG2 LYS 4 26.225 2.138 -6.835
35 2HG LYS 4 HG1 LYS 4 26.836 2.466 -5.211
36 1HD LYS 4 HD2 LYS 4 25.747 4.400 -5.215
37 2HD LYS 4 HD1 LYS 4 26.732 4.933 -6.581
38 1HE LYS 4 HE2 LYS 4 24.672 5.115 -7.533
39 2HE LYS 4 HE1 LYS 4 25.011 3.428 -7.922
40 1HZ LYS 4 HZ1 LYS 4 23.814 2.893 -5.776
41 2HZ LYS 4 HZ2 LYS 4 22.853 3.464 -7.047
42 3HZ LYS 4 HZ3 LYS 4 23.277 4.502 -5.772
43 HA PRO 5 HA PRO 5 30.421 -1.382 -4.791
44 1HB PRO 5 HB2 PRO 5 28.800 -1.430 -2.324
45 2HB PRO 5 HB1 PRO 5 30.499 -1.853 -2.556
46 1HG PRO 5 HG2 PRO 5 29.765 0.385 -1.275
47 2HG PRO 5 HG1 PRO 5 31.217 0.321 -2.292
48 1HD PRO 5 HD2 PRO 5 28.530 1.493 -2.893
49 2HD PRO 5 HD1 PRO 5 30.146 2.096 -3.316
50 H GLU 6 HN GLU 6 29.399 -3.172 -5.506
51 HA GLU 6 HA GLU 6 26.700 -3.085 -6.330
52 1HB GLU 6 HB2 GLU 6 27.058 -5.614 -6.643
53 2HB GLU 6 HB1 GLU 6 28.065 -4.525 -7.583
54 1HG GLU 6 HG2 GLU 6 29.161 -5.396 -4.985
55 2HG GLU 6 HG1 GLU 6 29.007 -6.635 -6.229
56 H ALA 7 HN ALA 7 25.237 -2.756 -4.760
57 HA ALA 7 HA ALA 7 25.458 -4.126 -2.221
58 1HB ALA 7 HB1 ALA 7 23.365 -2.776 -1.712
59 2HB ALA 7 HB2 ALA 7 23.610 -2.006 -3.279
60 3HB ALA 7 HB3 ALA 7 24.842 -1.863 -2.023
61 HA PRO 8 HA PRO 8 22.586 -7.309 -3.608
62 1HB PRO 8 HB2 PRO 8 22.875 -8.867 -1.412
63 2HB PRO 8 HB1 PRO 8 24.065 -8.848 -2.717
64 1HG PRO 8 HG2 PRO 8 24.136 -7.468 -0.068
65 2HG PRO 8 HG1 PRO 8 25.436 -8.307 -0.933
66 1HD PRO 8 HD2 PRO 8 25.159 -5.594 -0.919
67 2HD PRO 8 HD1 PRO 8 25.899 -6.494 -2.258
68 H GLY 9 HN GLY 9 22.706 -5.415 -0.716
69 1HA GLY 9 HA2 GLY 9 20.315 -4.432 -0.390
70 2HA GLY 9 HA1 GLY 9 19.974 -6.109 0.043
71 H GLU 10 HN GLU 10 19.411 -4.867 2.118
72 HA GLU 10 HA GLU 10 21.863 -4.713 3.745
73 1HB GLU 10 HB2 GLU 10 19.997 -3.532 5.338
74 2HB GLU 10 HB1 GLU 10 21.075 -2.662 4.257
75 1HG GLU 10 HG2 GLU 10 19.191 -1.737 3.498
76 2HG GLU 10 HG1 GLU 10 19.032 -3.231 2.579
77 H ASP 11 HN ASP 11 19.280 -6.583 3.012
78 HA ASP 11 HA ASP 11 19.313 -7.947 5.615
79 1HB ASP 11 HB2 ASP 11 17.071 -7.356 4.776
80 2HB ASP 11 HB1 ASP 11 17.382 -8.254 3.296
81 H ALA 12 HN ALA 12 21.433 -8.768 5.130
82 HA ALA 12 HA ALA 12 21.350 -11.041 3.265
83 1HB ALA 12 HB1 ALA 12 22.638 -8.930 2.476
84 2HB ALA 12 HB2 ALA 12 23.389 -10.516 2.295
85 3HB ALA 12 HB3 ALA 12 23.866 -9.461 3.628
86 H SER 13 HN SER 13 22.993 -12.688 3.724
87 HA SER 13 HA SER 13 23.082 -13.372 6.469
88 1HB SER 13 HB2 SER 13 24.986 -14.797 4.786
89 2HB SER 13 HB1 SER 13 23.562 -15.404 5.636
90 HG SER 13 HG SER 13 23.862 -14.926 3.023
91 HA PRO 14 HA PRO 14 26.606 -11.772 8.482
92 1HB PRO 14 HB2 PRO 14 27.878 -14.463 8.114
93 2HB PRO 14 HB1 PRO 14 27.849 -13.424 9.546
94 1HG PRO 14 HG2 PRO 14 26.172 -15.487 9.301
95 2HG PRO 14 HG1 PRO 14 25.666 -13.969 10.063
96 1HD PRO 14 HD2 PRO 14 24.884 -15.113 7.461
97 2HD PRO 14 HD1 PRO 14 24.057 -13.903 8.459
98 H GLU 15 HN GLU 15 27.942 -14.052 6.045
99 HA GLU 15 HA GLU 15 30.317 -12.537 5.737
100 1HB GLU 15 HB2 GLU 15 29.283 -15.016 4.778
101 2HB GLU 15 HB1 GLU 15 29.874 -14.098 3.400
102 1HG GLU 15 HG2 GLU 15 31.640 -14.189 5.762
103 2HG GLU 15 HG1 GLU 15 31.414 -15.703 4.891
104 H GLU 16 HN GLU 16 27.436 -12.828 3.710
105 HA GLU 16 HA GLU 16 28.330 -11.187 1.619
106 1HB GLU 16 HB2 GLU 16 25.500 -11.819 2.471
107 2HB GLU 16 HB1 GLU 16 25.969 -11.131 0.922
108 1HG GLU 16 HG2 GLU 16 25.878 -13.264 0.247
109 2HG GLU 16 HG1 GLU 16 27.500 -13.338 0.932
110 H LEU 17 HN LEU 17 26.338 -10.494 4.485
111 HA LEU 17 HA LEU 17 25.947 -7.765 3.837
112 1HB LEU 17 HB2 LEU 17 24.775 -7.622 5.755
113 2HB LEU 17 HB1 LEU 17 24.898 -9.371 5.741
114 HG LEU 17 HG LEU 17 27.175 -8.649 7.096
115 1HD1 LEU 17 HD11 LEU 17 25.060 -6.928 8.308
116 2HD1 LEU 17 HD12 LEU 17 26.078 -6.279 7.022
117 3HD1 LEU 17 HD13 LEU 17 26.811 -6.870 8.515
118 1HD2 LEU 17 HD21 LEU 17 24.584 -9.035 8.538
119 2HD2 LEU 17 HD22 LEU 17 26.181 -9.679 8.917
120 3HD2 LEU 17 HD23 LEU 17 25.264 -10.334 7.561
121 H ASN 18 HN ASN 18 28.397 -9.507 5.688
122 HA ASN 18 HA ASN 18 29.894 -7.297 6.548
123 1HB ASN 18 HB2 ASN 18 30.497 -9.300 7.567
124 2HB ASN 18 HB1 ASN 18 30.509 -10.191 6.052
125 1HD2 ASN 18 HD21 ASN 18 32.408 -10.611 5.165
126 2HD2 ASN 18 HD22 ASN 18 33.906 -9.846 5.583
127 H ARG 19 HN ARG 19 29.994 -9.175 3.534
128 HA ARG 19 HA ARG 19 32.222 -7.986 2.327
129 1HB ARG 19 HB2 ARG 19 29.639 -8.797 0.975
130 2HB ARG 19 HB1 ARG 19 31.175 -8.525 0.166
131 1HG ARG 19 HG2 ARG 19 30.793 -10.621 2.281
132 2HG ARG 19 HG1 ARG 19 30.523 -10.923 0.566
133 1HD ARG 19 HD2 ARG 19 32.852 -10.262 0.106
134 2HD ARG 19 HD1 ARG 19 33.110 -10.028 1.838
135 HE ARG 19 HE ARG 19 32.802 -12.392 2.160
136 1HH1 ARG 19 HH11 ARG 19 33.248 -11.343 -1.163
137 2HH1 ARG 19 HH12 ARG 19 33.593 -12.938 -1.755
138 1HH2 ARG 19 HH21 ARG 19 33.218 -14.493 1.373
139 2HH2 ARG 19 HH22 ARG 19 33.569 -14.726 -0.321
140 H TYR 20 HN TYR 20 28.835 -7.129 1.743
141 HA TYR 20 HA TYR 20 29.372 -4.789 0.302
142 1HB TYR 20 HB2 TYR 20 27.235 -5.454 -0.109
143 2HB TYR 20 HB1 TYR 20 27.025 -6.115 1.506
144 HD1 TYR 20 HD1 TYR 20 26.023 -4.823 3.250
145 HD2 TYR 20 HD2 TYR 20 26.826 -3.069 -0.538
146 HE1 TYR 20 HE1 TYR 20 24.612 -2.894 3.860
147 HE2 TYR 20 HE2 TYR 20 25.424 -1.136 0.047
148 HH TYR 20 HH TYR 20 23.224 -1.102 2.376
149 H TYR 21 HN TYR 21 28.804 -5.356 3.723
150 HA TYR 21 HA TYR 21 28.406 -2.719 4.554
151 1HB TYR 21 HB2 TYR 21 28.247 -5.075 5.790
152 2HB TYR 21 HB1 TYR 21 29.836 -4.587 6.369
153 HD1 TYR 21 HD1 TYR 21 26.270 -3.667 6.280
154 HD2 TYR 21 HD2 TYR 21 30.076 -2.919 8.008
155 HE1 TYR 21 HE1 TYR 21 25.205 -2.277 7.990
156 HE2 TYR 21 HE2 TYR 21 29.042 -1.525 9.726
157 HH TYR 21 HH TYR 21 26.301 -1.553 10.728
158 H ALA 22 HN ALA 22 31.393 -4.661 4.714
159 HA ALA 22 HA ALA 22 32.874 -2.464 5.760
160 1HB ALA 22 HB1 ALA 22 34.834 -3.986 5.418
161 2HB ALA 22 HB2 ALA 22 33.706 -5.164 4.743
162 3HB ALA 22 HB3 ALA 22 33.526 -4.631 6.418
163 H SER 23 HN SER 23 32.344 -3.735 2.527
164 HA SER 23 HA SER 23 34.329 -2.149 1.255
165 1HB SER 23 HB2 SER 23 31.713 -3.097 0.064
166 2HB SER 23 HB1 SER 23 33.190 -2.675 -0.806
167 HG SER 23 HG SER 23 32.561 -4.963 0.665
168 H LEU 24 HN LEU 24 30.989 -1.600 2.179
169 HA LEU 24 HA LEU 24 30.807 1.004 1.017
170 1HB LEU 24 HB2 LEU 24 28.870 -0.568 1.495
171 2HB LEU 24 HB1 LEU 24 29.071 -0.175 3.190
172 HG LEU 24 HG LEU 24 28.883 2.311 2.030
173 1HD1 LEU 24 HD11 LEU 24 27.331 0.327 0.433
174 2HD1 LEU 24 HD12 LEU 24 28.194 1.773 -0.095
175 3HD1 LEU 24 HD13 LEU 24 26.644 1.924 0.734
176 1HD2 LEU 24 HD21 LEU 24 27.302 0.563 3.708
177 2HD2 LEU 24 HD22 LEU 24 26.293 1.650 2.756
178 3HD2 LEU 24 HD23 LEU 24 27.547 2.306 3.809
179 H ARG 25 HN ARG 25 31.995 -0.366 3.934
180 HA ARG 25 HA ARG 25 31.977 2.019 5.490
181 1HB ARG 25 HB2 ARG 25 32.755 -0.690 5.857
182 2HB ARG 25 HB1 ARG 25 34.145 0.317 6.242
183 1HG ARG 25 HG2 ARG 25 32.956 -0.012 8.257
184 2HG ARG 25 HG1 ARG 25 32.633 1.645 7.744
185 1HD ARG 25 HD2 ARG 25 30.548 0.591 6.591
186 2HD ARG 25 HD1 ARG 25 30.826 -0.736 7.720
187 HE ARG 25 HE ARG 25 30.758 1.132 9.474
188 1HH1 ARG 25 HH11 ARG 25 28.855 1.089 6.526
189 2HH1 ARG 25 HH12 ARG 25 27.586 2.074 7.184
190 1HH2 ARG 25 HH21 ARG 25 29.087 2.444 10.329
191 2HH2 ARG 25 HH22 ARG 25 27.704 2.825 9.334
192 H HIS 26 HN HIS 26 34.406 0.375 3.492
193 HA HIS 26 HA HIS 26 36.427 2.330 3.748
194 1HB HIS 26 HB2 HIS 26 36.134 -0.121 2.422
195 2HB HIS 26 HB1 HIS 26 36.401 1.047 1.134
196 HD1 HIS 26 HD1 HIS 26 38.764 0.581 0.509
197 HD2 HIS 26 HD2 HIS 26 38.259 1.031 4.616
198 HE1 HIS 26 HE1 HIS 26 41.085 0.569 1.489
199 HE2 HIS 26 HE2 HIS 26 40.745 0.686 3.982
200 H TYR 27 HN TYR 27 33.898 1.800 1.334
201 HA TYR 27 HA TYR 27 34.408 4.004 -0.290
202 1HB TYR 27 HB2 TYR 27 32.907 2.299 -1.053
203 2HB TYR 27 HB1 TYR 27 31.838 2.541 0.324
204 HD1 TYR 27 HD1 TYR 27 33.340 4.702 -2.345
205 HD2 TYR 27 HD2 TYR 27 29.845 3.551 -0.206
206 HE1 TYR 27 HE1 TYR 27 32.011 6.293 -3.667
207 HE2 TYR 27 HE2 TYR 27 28.509 5.138 -1.524
208 HH TYR 27 HH TYR 27 29.355 6.371 -4.318
209 H LEU 28 HN LEU 28 32.188 3.695 2.482
210 HA LEU 28 HA LEU 28 31.273 6.358 2.400
211 1HB LEU 28 HB2 LEU 28 31.030 4.104 4.187
212 2HB LEU 28 HB1 LEU 28 31.223 5.592 5.092
213 HG LEU 28 HG LEU 28 28.847 4.884 4.637
214 1HD1 LEU 28 HD11 LEU 28 29.779 7.276 5.076
215 2HD1 LEU 28 HD12 LEU 28 28.107 7.064 4.556
216 3HD1 LEU 28 HD13 LEU 28 29.336 7.550 3.391
217 1HD2 LEU 28 HD21 LEU 28 28.886 4.077 2.435
218 2HD2 LEU 28 HD22 LEU 28 29.724 5.512 1.835
219 3HD2 LEU 28 HD23 LEU 28 28.034 5.622 2.332
220 H ASN 29 HN ASN 29 34.092 4.933 3.982
221 HA ASN 29 HA ASN 29 34.746 7.216 5.529
222 1HB ASN 29 HB2 ASN 29 35.688 4.698 5.504
223 2HB ASN 29 HB1 ASN 29 36.965 5.490 4.584
224 1HD2 ASN 29 HD21 ASN 29 36.653 8.034 5.972
225 2HD2 ASN 29 HD22 ASN 29 37.321 7.808 7.556
226 H LEU 30 HN LEU 30 35.414 6.301 2.223
227 HA LEU 30 HA LEU 30 37.201 8.561 1.846
228 1HB LEU 30 HB2 LEU 30 36.532 6.151 0.399
229 2HB LEU 30 HB1 LEU 30 36.476 7.546 -0.660
230 HG LEU 30 HG LEU 30 38.843 6.778 1.046
231 1HD1 LEU 30 HD11 LEU 30 38.166 5.267 -0.934
232 2HD1 LEU 30 HD12 LEU 30 39.839 5.813 -0.803
233 3HD1 LEU 30 HD13 LEU 30 38.740 6.600 -1.937
234 1HD2 LEU 30 HD21 LEU 30 38.356 8.984 -0.930
235 2HD2 LEU 30 HD22 LEU 30 39.981 8.409 -0.561
236 3HD2 LEU 30 HD23 LEU 30 38.975 9.090 0.718
237 H VAL 31 HN VAL 31 33.844 7.848 1.520
238 HA VAL 31 HA VAL 31 33.370 9.998 -0.364
239 HB VAL 31 HB VAL 31 32.152 7.621 -0.095
240 1HG1 VAL 31 HG11 VAL 31 29.932 9.249 0.938
241 2HG1 VAL 31 HG12 VAL 31 31.155 8.776 2.117
242 3HG1 VAL 31 HG13 VAL 31 30.305 7.545 1.182
243 1HG2 VAL 31 HG21 VAL 31 31.799 8.784 -2.051
244 2HG2 VAL 31 HG22 VAL 31 31.198 10.216 -1.215
245 3HG2 VAL 31 HG23 VAL 31 30.189 8.774 -1.335
246 H THR 32 HN THR 32 33.535 9.668 3.006
247 HA THR 32 HA THR 32 31.515 11.504 3.789
248 HB THR 32 HB THR 32 33.425 11.641 5.783
249 HG1 THR 32 HG1 THR 32 33.399 8.966 4.800
250 1HG2 THR 32 HG21 THR 32 31.871 10.514 7.037
251 2HG2 THR 32 HG22 THR 32 31.526 9.350 5.760
252 3HG2 THR 32 HG23 THR 32 30.868 10.981 5.661
253 H ARG 33 HN ARG 33 34.323 11.977 2.114
254 HA ARG 33 HA ARG 33 35.516 14.281 2.999
255 1HB ARG 33 HB2 ARG 33 36.183 12.980 0.988
256 2HB ARG 33 HB1 ARG 33 34.788 13.625 0.131
257 1HG ARG 33 HG2 ARG 33 36.279 15.795 1.210
258 2HG ARG 33 HG1 ARG 33 37.381 14.718 0.350
259 1HD ARG 33 HD2 ARG 33 34.925 15.097 -1.119
260 2HD ARG 33 HD1 ARG 33 35.693 16.643 -0.758
261 HE ARG 33 HE ARG 33 36.602 14.642 -2.600
262 1HH1 ARG 33 HH11 ARG 33 37.657 17.220 -0.480
263 2HH1 ARG 33 HH12 ARG 33 39.114 17.535 -1.365
264 1HH2 ARG 33 HH21 ARG 33 38.489 15.105 -3.822
265 2HH2 ARG 33 HH22 ARG 33 39.576 16.354 -3.278
266 H GLN 34 HN GLN 34 32.651 14.014 0.944
267 HA GLN 34 HA GLN 34 31.383 16.270 2.116
268 1HB GLN 34 HB2 GLN 34 33.196 17.120 0.363
269 2HB GLN 34 HB1 GLN 34 31.914 16.744 -0.778
270 1HG GLN 34 HG2 GLN 34 31.630 19.008 -0.271
271 2HG GLN 34 HG1 GLN 34 30.403 18.171 0.682
272 1HE2 GLN 34 HE21 GLN 34 30.332 18.536 2.801
273 2HE2 GLN 34 HE22 GLN 34 31.545 19.370 3.718
274 H ARG 35 HN ARG 35 31.599 13.738 -0.199
275 HA ARG 35 HA ARG 35 28.962 14.086 -1.291
276 1HB ARG 35 HB2 ARG 35 31.048 13.099 -2.443
277 2HB ARG 35 HB1 ARG 35 30.683 11.630 -1.553
278 1HG ARG 35 HG2 ARG 35 29.843 11.769 -3.937
279 2HG ARG 35 HG1 ARG 35 28.668 11.295 -2.712
280 1HD ARG 35 HD2 ARG 35 27.596 13.369 -2.770
281 2HD ARG 35 HD1 ARG 35 28.965 14.156 -3.555
282 HE ARG 35 HE ARG 35 28.352 13.087 -5.604
283 1HH1 ARG 35 HH11 ARG 35 26.020 12.696 -3.011
284 2HH1 ARG 35 HH12 ARG 35 24.698 12.342 -4.084
285 1HH2 ARG 35 HH21 ARG 35 26.624 12.629 -7.016
286 2HH2 ARG 35 HH22 ARG 35 25.038 12.332 -6.369
287 H TYR 36 HN TYR 36 28.724 13.955 1.422
288 HA TYR 36 HA TYR 36 27.542 12.988 3.092
289 1HB TYR 36 HB2 TYR 36 25.971 12.819 0.985
290 2HB TYR 36 HB1 TYR 36 26.258 11.094 1.168
291 HD1 TYR 36 HD1 TYR 36 23.915 10.654 1.619
292 HD2 TYR 36 HD2 TYR 36 26.149 13.283 4.110
293 HE1 TYR 36 HE1 TYR 36 22.145 10.534 3.323
294 HE2 TYR 36 HE2 TYR 36 24.384 13.173 5.818
295 HH TYR 36 HH TYR 36 22.023 10.845 5.867
296 1HN NH2 37 H1 NH2 37 28.218 9.058 2.619
297 2HN NH2 37 H2 NH2 37 26.998 9.904 1.736
Start of MODEL 19
1 1H TYR 1 HT1 TYR 1 24.869 0.897 -9.216
2 2H TYR 1 HT2 TYR 1 24.838 0.326 -10.812
3 3H TYR 1 HT3 TYR 1 25.520 1.835 -10.473
4 HA TYR 1 HA TYR 1 26.674 -0.317 -8.972
5 1HB TYR 1 HB2 TYR 1 28.105 -0.733 -11.224
6 2HB TYR 1 HB1 TYR 1 26.764 -1.757 -10.733
7 HD1 TYR 1 HD1 TYR 1 27.454 1.314 -12.766
8 HD2 TYR 1 HD2 TYR 1 25.068 -2.173 -12.252
9 HE1 TYR 1 HE1 TYR 1 26.321 1.783 -14.898
10 HE2 TYR 1 HE2 TYR 1 23.929 -1.709 -14.379
11 HH TYR 1 HH TYR 1 23.933 1.157 -15.889
12 HA PRO 2 HA PRO 2 29.451 3.226 -9.001
13 1HB PRO 2 HB2 PRO 2 30.468 2.364 -6.485
14 2HB PRO 2 HB1 PRO 2 29.312 3.663 -6.775
15 1HG PRO 2 HG2 PRO 2 28.766 1.266 -5.459
16 2HG PRO 2 HG1 PRO 2 27.561 2.383 -6.120
17 1HD PRO 2 HD2 PRO 2 28.627 -0.157 -7.269
18 2HD PRO 2 HD1 PRO 2 26.994 0.535 -7.374
19 H ILE 3 HN ILE 3 31.894 2.771 -7.552
20 HA ILE 3 HA ILE 3 33.223 0.969 -9.430
21 HB ILE 3 HB ILE 3 34.127 3.265 -9.051
22 1HG1 ILE 3 HG12 ILE 3 36.525 2.493 -8.602
23 2HG1 ILE 3 HG11 ILE 3 35.846 0.879 -8.390
24 1HG2 ILE 3 HG21 ILE 3 34.296 4.072 -7.004
25 2HG2 ILE 3 HG22 ILE 3 35.580 2.907 -6.676
26 3HG2 ILE 3 HG23 ILE 3 33.903 2.497 -6.311
27 1HD1 ILE 3 HD11 ILE 3 36.709 1.159 -10.633
28 2HD1 ILE 3 HD12 ILE 3 35.679 2.572 -10.878
29 3HD1 ILE 3 HD13 ILE 3 34.954 0.976 -10.673
30 H LYS 4 HN LYS 4 31.575 0.415 -6.852
31 HA LYS 4 HA LYS 4 33.147 -1.805 -5.943
32 1HB LYS 4 HB2 LYS 4 33.274 0.681 -4.579
33 2HB LYS 4 HB1 LYS 4 32.362 -0.430 -3.561
34 1HG LYS 4 HG2 LYS 4 34.321 -1.182 -2.827
35 2HG LYS 4 HG1 LYS 4 34.551 -1.911 -4.418
36 1HD LYS 4 HD2 LYS 4 35.267 0.728 -4.809
37 2HD LYS 4 HD1 LYS 4 35.883 0.375 -3.193
38 1HE LYS 4 HE2 LYS 4 36.798 -1.790 -4.307
39 2HE LYS 4 HE1 LYS 4 36.575 -0.899 -5.811
40 1HZ LYS 4 HZ1 LYS 4 38.366 0.328 -5.415
41 2HZ LYS 4 HZ2 LYS 4 38.756 -0.785 -4.191
42 3HZ LYS 4 HZ3 LYS 4 37.924 0.639 -3.807
43 HA PRO 5 HA PRO 5 29.296 -3.786 -5.166
44 1HB PRO 5 HB2 PRO 5 28.931 -4.084 -2.435
45 2HB PRO 5 HB1 PRO 5 29.894 -5.163 -3.452
46 1HG PRO 5 HG2 PRO 5 30.779 -2.881 -1.730
47 2HG PRO 5 HG1 PRO 5 31.519 -4.481 -1.944
48 1HD PRO 5 HD2 PRO 5 32.542 -2.359 -3.182
49 2HD PRO 5 HD1 PRO 5 32.435 -3.922 -4.021
50 H GLU 6 HN GLU 6 27.161 -3.314 -5.037
51 HA GLU 6 HA GLU 6 26.399 -0.668 -4.161
52 1HB GLU 6 HB2 GLU 6 25.588 -2.228 -6.230
53 2HB GLU 6 HB1 GLU 6 24.314 -2.563 -5.064
54 1HG GLU 6 HG2 GLU 6 23.344 -0.615 -5.461
55 2HG GLU 6 HG1 GLU 6 24.852 0.257 -5.193
56 H ALA 7 HN ALA 7 23.637 -2.218 -3.699
57 HA ALA 7 HA ALA 7 24.186 -2.734 -0.849
58 1HB ALA 7 HB1 ALA 7 21.463 -1.947 -1.286
59 2HB ALA 7 HB2 ALA 7 22.561 -0.739 -1.953
60 3HB ALA 7 HB3 ALA 7 22.692 -1.206 -0.259
61 HA PRO 8 HA PRO 8 22.144 -6.617 -2.199
62 1HB PRO 8 HB2 PRO 8 24.086 -7.897 -0.447
63 2HB PRO 8 HB1 PRO 8 23.849 -8.120 -2.182
64 1HG PRO 8 HG2 PRO 8 26.049 -6.927 -1.130
65 2HG PRO 8 HG1 PRO 8 25.402 -6.521 -2.730
66 1HD PRO 8 HD2 PRO 8 25.056 -5.078 -0.122
67 2HD PRO 8 HD1 PRO 8 25.382 -4.419 -1.743
68 H GLY 9 HN GLY 9 20.444 -5.650 -0.841
69 1HA GLY 9 HA2 GLY 9 20.576 -6.528 1.973
70 2HA GLY 9 HA1 GLY 9 19.671 -5.124 1.424
71 H GLU 10 HN GLU 10 19.173 -7.153 -0.984
72 HA GLU 10 HA GLU 10 16.544 -7.845 -0.247
73 1HB GLU 10 HB2 GLU 10 16.458 -9.086 -2.330
74 2HB GLU 10 HB1 GLU 10 17.280 -7.556 -2.591
75 1HG GLU 10 HG2 GLU 10 18.748 -10.130 -2.117
76 2HG GLU 10 HG1 GLU 10 18.265 -9.586 -3.719
77 H ASP 11 HN ASP 11 19.592 -9.554 -0.137
78 HA ASP 11 HA ASP 11 18.856 -11.035 2.113
79 1HB ASP 11 HB2 ASP 11 17.550 -12.349 0.380
80 2HB ASP 11 HB1 ASP 11 19.098 -12.799 -0.333
81 H ALA 12 HN ALA 12 20.789 -10.307 2.847
82 HA ALA 12 HA ALA 12 23.216 -11.040 1.393
83 1HB ALA 12 HB1 ALA 12 23.011 -9.461 3.952
84 2HB ALA 12 HB2 ALA 12 22.877 -8.737 2.346
85 3HB ALA 12 HB3 ALA 12 24.373 -9.539 2.834
86 H SER 13 HN SER 13 24.475 -12.682 1.945
87 HA SER 13 HA SER 13 23.553 -14.432 4.061
88 1HB SER 13 HB2 SER 13 25.966 -15.112 2.455
89 2HB SER 13 HB1 SER 13 24.590 -16.119 2.909
90 HG SER 13 HG SER 13 24.683 -14.124 0.875
91 HA PRO 14 HA PRO 14 26.511 -13.586 7.246
92 1HB PRO 14 HB2 PRO 14 27.539 -16.162 7.627
93 2HB PRO 14 HB1 PRO 14 26.134 -15.471 8.441
94 1HG PRO 14 HG2 PRO 14 26.260 -17.280 6.081
95 2HG PRO 14 HG1 PRO 14 25.076 -17.231 7.401
96 1HD PRO 14 HD2 PRO 14 24.499 -16.268 4.973
97 2HD PRO 14 HD1 PRO 14 23.910 -15.468 6.447
98 H GLU 15 HN GLU 15 28.583 -12.981 7.370
99 HA GLU 15 HA GLU 15 30.792 -12.688 6.928
100 1HB GLU 15 HB2 GLU 15 30.528 -15.345 6.337
101 2HB GLU 15 HB1 GLU 15 31.071 -14.697 4.793
102 1HG GLU 15 HG2 GLU 15 33.149 -14.656 5.536
103 2HG GLU 15 HG1 GLU 15 32.676 -13.551 6.830
104 H GLU 16 HN GLU 16 28.778 -13.391 4.149
105 HA GLU 16 HA GLU 16 30.178 -11.804 2.269
106 1HB GLU 16 HB2 GLU 16 28.765 -13.497 1.414
107 2HB GLU 16 HB1 GLU 16 27.417 -12.987 2.417
108 1HG GLU 16 HG2 GLU 16 27.348 -10.872 1.059
109 2HG GLU 16 HG1 GLU 16 28.506 -11.632 -0.033
110 H LEU 17 HN LEU 17 27.169 -11.299 4.101
111 HA LEU 17 HA LEU 17 26.748 -8.627 3.447
112 1HB LEU 17 HB2 LEU 17 24.957 -9.033 4.702
113 2HB LEU 17 HB1 LEU 17 25.679 -10.519 5.281
114 HG LEU 17 HG LEU 17 26.760 -8.256 6.710
115 1HD1 LEU 17 HD11 LEU 17 24.816 -7.424 7.787
116 2HD1 LEU 17 HD12 LEU 17 23.782 -8.604 6.982
117 3HD1 LEU 17 HD13 LEU 17 24.528 -7.304 6.052
118 1HD2 LEU 17 HD21 LEU 17 26.511 -10.817 7.237
119 2HD2 LEU 17 HD22 LEU 17 24.966 -10.307 7.916
120 3HD2 LEU 17 HD23 LEU 17 26.468 -9.620 8.532
121 H ASN 18 HN ASN 18 28.738 -10.089 5.961
122 HA ASN 18 HA ASN 18 29.459 -7.689 7.262
123 1HB ASN 18 HB2 ASN 18 29.702 -10.145 8.072
124 2HB ASN 18 HB1 ASN 18 31.238 -10.108 7.209
125 1HD2 ASN 18 HD21 ASN 18 32.916 -8.883 8.005
126 2HD2 ASN 18 HD22 ASN 18 32.891 -8.158 9.574
127 H ARG 19 HN ARG 19 30.944 -9.575 4.667
128 HA ARG 19 HA ARG 19 33.329 -8.098 4.439
129 1HB ARG 19 HB2 ARG 19 31.902 -10.089 2.889
130 2HB ARG 19 HB1 ARG 19 32.663 -8.892 1.846
131 1HG ARG 19 HG2 ARG 19 34.614 -9.488 3.714
132 2HG ARG 19 HG1 ARG 19 33.854 -11.043 3.380
133 1HD ARG 19 HD2 ARG 19 35.848 -10.289 1.922
134 2HD ARG 19 HD1 ARG 19 34.435 -10.987 1.134
135 HE ARG 19 HE ARG 19 33.963 -8.936 0.183
136 1HH1 ARG 19 HH11 ARG 19 36.601 -8.606 2.488
137 2HH1 ARG 19 HH12 ARG 19 36.977 -6.983 1.990
138 1HH2 ARG 19 HH21 ARG 19 34.494 -6.843 -0.481
139 2HH2 ARG 19 HH22 ARG 19 35.792 -5.983 0.291
140 H TYR 20 HN TYR 20 30.365 -7.846 2.500
141 HA TYR 20 HA TYR 20 31.116 -5.531 1.108
142 1HB TYR 20 HB2 TYR 20 29.258 -6.110 -0.003
143 2HB TYR 20 HB1 TYR 20 28.831 -7.244 1.270
144 HD1 TYR 20 HD1 TYR 20 27.139 -6.703 2.898
145 HD2 TYR 20 HD2 TYR 20 28.334 -3.832 -0.012
146 HE1 TYR 20 HE1 TYR 20 25.181 -5.324 3.464
147 HE2 TYR 20 HE2 TYR 20 26.385 -2.449 0.540
148 HH TYR 20 HH TYR 20 23.808 -3.636 2.538
149 H TYR 21 HN TYR 21 29.494 -6.006 4.180
150 HA TYR 21 HA TYR 21 28.471 -3.506 4.717
151 1HB TYR 21 HB2 TYR 21 28.624 -5.815 6.079
152 2HB TYR 21 HB1 TYR 21 29.855 -4.899 6.942
153 HD1 TYR 21 HD1 TYR 21 26.283 -5.008 6.039
154 HD2 TYR 21 HD2 TYR 21 29.267 -3.151 8.425
155 HE1 TYR 21 HE1 TYR 21 24.529 -3.938 7.377
156 HE2 TYR 21 HE2 TYR 21 27.533 -2.069 9.777
157 HH TYR 21 HH TYR 21 24.265 -3.006 9.666
158 H ALA 22 HN ALA 22 31.632 -4.714 5.824
159 HA ALA 22 HA ALA 22 32.370 -2.161 6.840
160 1HB ALA 22 HB1 ALA 22 33.897 -4.714 6.445
161 2HB ALA 22 HB2 ALA 22 33.237 -4.045 7.939
162 3HB ALA 22 HB3 ALA 22 34.613 -3.267 7.153
163 H SER 23 HN SER 23 33.003 -3.860 3.820
164 HA SER 23 HA SER 23 35.040 -2.077 2.931
165 1HB SER 23 HB2 SER 23 33.253 -3.991 1.419
166 2HB SER 23 HB1 SER 23 34.594 -3.105 0.692
167 HG SER 23 HG SER 23 35.264 -4.421 3.001
168 H LEU 24 HN LEU 24 31.532 -2.195 2.444
169 HA LEU 24 HA LEU 24 31.453 0.014 0.662
170 1HB LEU 24 HB2 LEU 24 29.577 -1.292 0.412
171 2HB LEU 24 HB1 LEU 24 29.461 -1.650 2.123
172 HG LEU 24 HG LEU 24 28.945 1.113 1.846
173 1HD1 LEU 24 HD11 LEU 24 27.848 1.445 -0.043
174 2HD1 LEU 24 HD12 LEU 24 26.789 0.067 0.285
175 3HD1 LEU 24 HD13 LEU 24 28.317 -0.181 -0.559
176 1HD2 LEU 24 HD21 LEU 24 27.947 -1.057 3.201
177 2HD2 LEU 24 HD22 LEU 24 26.614 -0.609 2.137
178 3HD2 LEU 24 HD23 LEU 24 27.292 0.580 3.249
179 H ARG 25 HN ARG 25 31.130 -0.426 4.148
180 HA ARG 25 HA ARG 25 30.420 2.228 4.758
181 1HB ARG 25 HB2 ARG 25 31.170 -0.101 6.221
182 2HB ARG 25 HB1 ARG 25 32.149 1.241 6.799
183 1HG ARG 25 HG2 ARG 25 30.176 1.106 8.144
184 2HG ARG 25 HG1 ARG 25 30.066 2.550 7.136
185 1HD ARG 25 HD2 ARG 25 28.845 0.799 5.520
186 2HD ARG 25 HD1 ARG 25 28.471 0.055 7.074
187 HE ARG 25 HE ARG 25 27.490 2.599 6.059
188 1HH1 ARG 25 HH11 ARG 25 27.816 0.467 8.815
189 2HH1 ARG 25 HH12 ARG 25 26.502 1.185 9.698
190 1HH2 ARG 25 HH21 ARG 25 25.755 3.532 7.184
191 2HH2 ARG 25 HH22 ARG 25 25.295 2.902 8.741
192 H HIS 26 HN HIS 26 33.530 0.684 4.200
193 HA HIS 26 HA HIS 26 35.162 2.909 4.860
194 1HB HIS 26 HB2 HIS 26 35.487 0.300 3.506
195 2HB HIS 26 HB1 HIS 26 36.622 1.542 3.000
196 HD1 HIS 26 HD1 HIS 26 36.409 -1.117 5.285
197 HD2 HIS 26 HD2 HIS 26 37.790 2.798 5.549
198 HE1 HIS 26 HE1 HIS 26 37.940 -1.069 7.281
199 HE2 HIS 26 HE2 HIS 26 38.914 1.254 7.298
200 H TYR 27 HN TYR 27 34.147 1.571 1.740
201 HA TYR 27 HA TYR 27 35.243 3.586 0.140
202 1HB TYR 27 HB2 TYR 27 34.742 1.567 -0.930
203 2HB TYR 27 HB1 TYR 27 33.114 1.510 -0.275
204 HD1 TYR 27 HD1 TYR 27 34.783 4.298 -2.144
205 HD2 TYR 27 HD2 TYR 27 31.775 1.291 -2.136
206 HE1 TYR 27 HE1 TYR 27 33.907 5.172 -4.270
207 HE2 TYR 27 HE2 TYR 27 30.900 2.143 -4.263
208 HH TYR 27 HH TYR 27 32.369 4.969 -5.865
209 H LEU 28 HN LEU 28 31.899 3.149 1.296
210 HA LEU 28 HA LEU 28 30.874 5.427 -0.010
211 1HB LEU 28 HB2 LEU 28 29.928 3.524 1.971
212 2HB LEU 28 HB1 LEU 28 29.315 5.139 2.266
213 HG LEU 28 HG LEU 28 28.354 5.215 0.027
214 1HD1 LEU 28 HD11 LEU 28 30.214 3.262 -0.580
215 2HD1 LEU 28 HD12 LEU 28 28.939 3.882 -1.632
216 3HD1 LEU 28 HD13 LEU 28 28.656 2.438 -0.658
217 1HD2 LEU 28 HD21 LEU 28 26.548 3.775 0.404
218 2HD2 LEU 28 HD22 LEU 28 27.175 4.149 2.010
219 3HD2 LEU 28 HD23 LEU 28 27.555 2.602 1.253
220 H ASN 29 HN ASN 29 32.090 5.056 3.337
221 HA ASN 29 HA ASN 29 31.466 7.656 4.180
222 1HB ASN 29 HB2 ASN 29 32.060 5.984 5.807
223 2HB ASN 29 HB1 ASN 29 33.653 5.776 5.089
224 1HD2 ASN 29 HD21 ASN 29 35.051 6.458 6.535
225 2HD2 ASN 29 HD22 ASN 29 34.995 7.964 7.381
226 H LEU 30 HN LEU 30 34.395 6.378 2.662
227 HA LEU 30 HA LEU 30 35.841 8.815 2.856
228 1HB LEU 30 HB2 LEU 30 36.218 6.168 1.617
229 2HB LEU 30 HB1 LEU 30 37.087 7.484 0.854
230 HG LEU 30 HG LEU 30 38.465 6.320 2.497
231 1HD1 LEU 30 HD11 LEU 30 37.711 9.170 3.015
232 2HD1 LEU 30 HD12 LEU 30 39.136 8.528 2.196
233 3HD1 LEU 30 HD13 LEU 30 38.983 8.377 3.947
234 1HD2 LEU 30 HD21 LEU 30 37.979 6.422 4.864
235 2HD2 LEU 30 HD22 LEU 30 36.664 5.615 4.015
236 3HD2 LEU 30 HD23 LEU 30 36.476 7.286 4.544
237 H VAL 31 HN VAL 31 33.385 7.764 0.717
238 HA VAL 31 HA VAL 31 34.244 9.696 -1.318
239 HB VAL 31 HB VAL 31 33.633 7.198 -1.822
240 1HG1 VAL 31 HG11 VAL 31 31.182 7.225 -2.705
241 2HG1 VAL 31 HG12 VAL 31 30.957 8.481 -1.485
242 3HG1 VAL 31 HG13 VAL 31 31.504 6.874 -1.007
243 1HG2 VAL 31 HG21 VAL 31 32.483 8.190 -4.031
244 2HG2 VAL 31 HG22 VAL 31 34.214 8.284 -3.713
245 3HG2 VAL 31 HG23 VAL 31 33.179 9.670 -3.369
246 H THR 32 HN THR 32 32.157 9.501 1.286
247 HA THR 32 HA THR 32 30.240 11.359 0.060
248 HB THR 32 HB THR 32 29.041 11.006 2.339
249 HG1 THR 32 HG1 THR 32 30.433 8.544 2.270
250 1HG2 THR 32 HG21 THR 32 27.667 9.898 0.980
251 2HG2 THR 32 HG22 THR 32 28.666 8.457 1.162
252 3HG2 THR 32 HG23 THR 32 28.993 9.597 -0.143
253 H ARG 33 HN ARG 33 32.231 10.970 2.977
254 HA ARG 33 HA ARG 33 31.660 13.455 4.122
255 1HB ARG 33 HB2 ARG 33 33.095 11.286 4.909
256 2HB ARG 33 HB1 ARG 33 34.390 12.426 4.569
257 1HG ARG 33 HG2 ARG 33 33.376 14.044 6.090
258 2HG ARG 33 HG1 ARG 33 32.072 12.904 6.431
259 1HD ARG 33 HD2 ARG 33 34.968 12.234 6.883
260 2HD ARG 33 HD1 ARG 33 33.972 13.012 8.116
261 HE ARG 33 HE ARG 33 33.334 10.374 6.947
262 1HH1 ARG 33 HH11 ARG 33 33.530 12.550 9.706
263 2HH1 ARG 33 HH12 ARG 33 32.946 11.352 10.830
264 1HH2 ARG 33 HH21 ARG 33 32.564 8.835 8.428
265 2HH2 ARG 33 HH22 ARG 33 32.405 9.248 10.109
266 H GLN 34 HN GLN 34 34.484 12.499 2.187
267 HA GLN 34 HA GLN 34 35.998 13.670 0.979
268 1HB GLN 34 HB2 GLN 34 33.494 14.654 0.251
269 2HB GLN 34 HB1 GLN 34 34.452 16.097 0.542
270 1HG GLN 34 HG2 GLN 34 35.684 13.965 -1.091
271 2HG GLN 34 HG1 GLN 34 34.358 14.874 -1.810
272 1HE2 GLN 34 HE21 GLN 34 37.619 14.766 -1.428
273 2HE2 GLN 34 HE22 GLN 34 38.005 16.422 -1.754
274 H ARG 35 HN ARG 35 36.111 13.950 3.764
275 HA ARG 35 HA ARG 35 37.033 16.725 4.085
276 1HB ARG 35 HB2 ARG 35 35.179 15.836 5.612
277 2HB ARG 35 HB1 ARG 35 36.414 14.817 6.336
278 1HG ARG 35 HG2 ARG 35 36.138 16.765 7.689
279 2HG ARG 35 HG1 ARG 35 37.705 16.861 6.883
280 1HD ARG 35 HD2 ARG 35 36.246 18.972 6.957
281 2HD ARG 35 HD1 ARG 35 36.991 18.529 5.422
282 HE ARG 35 HE ARG 35 34.263 17.598 5.896
283 1HH1 ARG 35 HH11 ARG 35 36.374 19.953 4.386
284 2HH1 ARG 35 HH12 ARG 35 35.202 20.421 3.186
285 1HH2 ARG 35 HH21 ARG 35 32.726 18.218 4.339
286 2HH2 ARG 35 HH22 ARG 35 33.118 19.437 3.164
287 H TYR 36 HN TYR 36 39.092 16.639 3.472
288 HA TYR 36 HA TYR 36 41.300 16.172 3.421
289 1HB TYR 36 HB2 TYR 36 40.510 15.576 6.149
290 2HB TYR 36 HB1 TYR 36 41.864 14.573 5.636
291 HD1 TYR 36 HD1 TYR 36 40.905 18.128 4.986
292 HD2 TYR 36 HD2 TYR 36 43.842 15.424 6.441
293 HE1 TYR 36 HE1 TYR 36 42.435 20.010 5.373
294 HE2 TYR 36 HE2 TYR 36 45.387 17.299 6.840
295 HH TYR 36 HH TYR 36 45.244 20.095 5.482
296 1HN NH2 37 H1 NH2 37 40.875 12.116 3.754
297 2HN NH2 37 H2 NH2 37 40.465 13.142 5.086
Start of MODEL 20
1 1H TYR 1 HT1 TYR 1 24.369 0.928 -9.197
2 2H TYR 1 HT2 TYR 1 25.509 2.184 -9.160
3 3H TYR 1 HT3 TYR 1 25.172 1.300 -7.750
4 HA TYR 1 HA TYR 1 26.450 -0.423 -8.319
5 1HB TYR 1 HB2 TYR 1 24.982 -0.182 -10.727
6 2HB TYR 1 HB1 TYR 1 26.679 -0.273 -11.181
7 HD1 TYR 1 HD1 TYR 1 24.250 -1.983 -8.904
8 HD2 TYR 1 HD2 TYR 1 27.610 -2.362 -11.488
9 HE1 TYR 1 HE1 TYR 1 24.187 -4.426 -8.617
10 HE2 TYR 1 HE2 TYR 1 27.558 -4.807 -11.206
11 HH TYR 1 HH TYR 1 24.951 -6.469 -9.997
12 HA PRO 2 HA PRO 2 29.777 2.637 -9.148
13 1HB PRO 2 HB2 PRO 2 30.645 2.461 -6.443
14 2HB PRO 2 HB1 PRO 2 29.829 3.822 -7.216
15 1HG PRO 2 HG2 PRO 2 28.760 2.240 -5.192
16 2HG PRO 2 HG1 PRO 2 27.834 3.292 -6.277
17 1HD PRO 2 HD2 PRO 2 28.270 0.337 -6.413
18 2HD PRO 2 HD1 PRO 2 26.820 1.285 -6.812
19 H ILE 3 HN ILE 3 32.129 2.139 -7.550
20 HA ILE 3 HA ILE 3 33.017 -0.299 -8.782
21 HB ILE 3 HB ILE 3 34.473 1.747 -8.465
22 1HG1 ILE 3 HG12 ILE 3 36.484 0.303 -7.709
23 2HG1 ILE 3 HG11 ILE 3 35.315 -1.007 -7.619
24 1HG2 ILE 3 HG21 ILE 3 33.728 1.558 -5.836
25 2HG2 ILE 3 HG22 ILE 3 35.078 2.511 -6.450
26 3HG2 ILE 3 HG23 ILE 3 35.358 0.889 -5.822
27 1HD1 ILE 3 HD11 ILE 3 36.708 -0.012 -9.882
28 2HD1 ILE 3 HD12 ILE 3 34.982 0.251 -10.130
29 3HD1 ILE 3 HD13 ILE 3 35.589 -1.369 -9.781
30 H LYS 4 HN LYS 4 31.577 0.543 -5.834
31 HA LYS 4 HA LYS 4 32.091 -2.136 -4.803
32 1HB LYS 4 HB2 LYS 4 33.198 0.144 -3.699
33 2HB LYS 4 HB1 LYS 4 31.783 -0.147 -2.696
34 1HG LYS 4 HG2 LYS 4 33.760 -1.198 -1.759
35 2HG LYS 4 HG1 LYS 4 32.569 -2.411 -2.235
36 1HD LYS 4 HD2 LYS 4 33.979 -3.351 -3.681
37 2HD LYS 4 HD1 LYS 4 34.396 -1.792 -4.395
38 1HE LYS 4 HE2 LYS 4 35.976 -1.387 -2.568
39 2HE LYS 4 HE1 LYS 4 35.564 -2.952 -1.867
40 1HZ LYS 4 HZ1 LYS 4 37.502 -2.409 -3.785
41 2HZ LYS 4 HZ2 LYS 4 36.284 -3.286 -4.578
42 3HZ LYS 4 HZ3 LYS 4 37.026 -3.926 -3.192
43 HA PRO 5 HA PRO 5 27.771 -2.528 -4.700
44 1HB PRO 5 HB2 PRO 5 27.411 -4.113 -2.509
45 2HB PRO 5 HB1 PRO 5 28.061 -4.706 -4.044
46 1HG PRO 5 HG2 PRO 5 29.552 -3.788 -1.594
47 2HG PRO 5 HG1 PRO 5 29.775 -5.282 -2.537
48 1HD PRO 5 HD2 PRO 5 31.390 -3.219 -2.925
49 2HD PRO 5 HD1 PRO 5 30.772 -4.129 -4.324
50 H GLU 6 HN GLU 6 26.246 -1.119 -4.142
51 HA GLU 6 HA GLU 6 26.214 -0.004 -1.433
52 1HB GLU 6 HB2 GLU 6 24.670 1.630 -2.264
53 2HB GLU 6 HB1 GLU 6 25.971 1.498 -3.438
54 1HG GLU 6 HG2 GLU 6 23.580 -0.194 -3.870
55 2HG GLU 6 HG1 GLU 6 23.403 1.543 -4.125
56 H ALA 7 HN ALA 7 24.867 -2.482 -3.262
57 HA ALA 7 HA ALA 7 22.517 -2.688 -1.503
58 1HB ALA 7 HB1 ALA 7 21.711 -4.289 -3.324
59 2HB ALA 7 HB2 ALA 7 23.019 -3.631 -4.308
60 3HB ALA 7 HB3 ALA 7 21.745 -2.569 -3.712
61 HA PRO 8 HA PRO 8 24.487 -6.094 0.488
62 1HB PRO 8 HB2 PRO 8 21.772 -7.063 1.088
63 2HB PRO 8 HB1 PRO 8 23.058 -6.570 2.192
64 1HG PRO 8 HG2 PRO 8 20.867 -5.070 1.806
65 2HG PRO 8 HG1 PRO 8 22.457 -4.344 2.103
66 1HD PRO 8 HD2 PRO 8 20.958 -4.649 -0.470
67 2HD PRO 8 HD1 PRO 8 21.951 -3.293 0.105
68 H GLY 9 HN GLY 9 21.658 -6.782 -1.550
69 1HA GLY 9 HA2 GLY 9 21.829 -8.375 -3.352
70 2HA GLY 9 HA1 GLY 9 22.986 -9.280 -2.386
71 H GLU 10 HN GLU 10 19.702 -8.004 -1.938
72 HA GLU 10 HA GLU 10 17.800 -8.892 -1.097
73 1HB GLU 10 HB2 GLU 10 18.914 -10.951 -2.744
74 2HB GLU 10 HB1 GLU 10 18.171 -11.696 -1.335
75 1HG GLU 10 HG2 GLU 10 16.343 -11.623 -2.642
76 2HG GLU 10 HG1 GLU 10 16.225 -9.991 -1.986
77 H ASP 11 HN ASP 11 19.082 -11.952 -0.229
78 HA ASP 11 HA ASP 11 18.670 -11.370 2.558
79 1HB ASP 11 HB2 ASP 11 18.336 -13.582 2.714
80 2HB ASP 11 HB1 ASP 11 18.577 -13.677 0.976
81 H ALA 12 HN ALA 12 21.338 -11.605 0.375
82 HA ALA 12 HA ALA 12 23.484 -10.917 0.526
83 1HB ALA 12 HB1 ALA 12 24.244 -9.719 2.605
84 2HB ALA 12 HB2 ALA 12 22.617 -9.964 3.238
85 3HB ALA 12 HB3 ALA 12 22.858 -9.017 1.771
86 H SER 13 HN SER 13 22.456 -12.565 3.499
87 HA SER 13 HA SER 13 23.192 -14.462 4.505
88 1HB SER 13 HB2 SER 13 25.341 -14.681 2.393
89 2HB SER 13 HB1 SER 13 24.753 -15.958 3.459
90 HG SER 13 HG SER 13 22.746 -14.783 2.013
91 HA PRO 14 HA PRO 14 26.058 -12.866 7.423
92 1HB PRO 14 HB2 PRO 14 26.840 -15.701 7.869
93 2HB PRO 14 HB1 PRO 14 26.276 -14.492 9.027
94 1HG PRO 14 HG2 PRO 14 24.665 -16.447 8.224
95 2HG PRO 14 HG1 PRO 14 24.045 -14.803 8.463
96 1HD PRO 14 HD2 PRO 14 24.706 -16.231 5.921
97 2HD PRO 14 HD1 PRO 14 23.366 -15.124 6.276
98 H GLU 15 HN GLU 15 28.059 -12.142 7.388
99 HA GLU 15 HA GLU 15 30.287 -11.923 7.047
100 1HB GLU 15 HB2 GLU 15 29.957 -14.785 6.681
101 2HB GLU 15 HB1 GLU 15 31.218 -14.133 5.643
102 1HG GLU 15 HG2 GLU 15 31.133 -13.437 8.547
103 2HG GLU 15 HG1 GLU 15 31.828 -14.963 8.010
104 H GLU 16 HN GLU 16 28.399 -13.268 4.430
105 HA GLU 16 HA GLU 16 29.872 -12.010 2.345
106 1HB GLU 16 HB2 GLU 16 27.165 -13.283 2.574
107 2HB GLU 16 HB1 GLU 16 27.613 -12.409 1.110
108 1HG GLU 16 HG2 GLU 16 28.676 -14.967 2.200
109 2HG GLU 16 HG1 GLU 16 28.184 -14.559 0.557
110 H LEU 17 HN LEU 17 26.858 -11.264 4.083
111 HA LEU 17 HA LEU 17 26.494 -8.691 3.012
112 1HB LEU 17 HB2 LEU 17 24.879 -8.351 4.633
113 2HB LEU 17 HB1 LEU 17 24.901 -10.098 4.506
114 HG LEU 17 HG LEU 17 26.723 -9.577 6.534
115 1HD1 LEU 17 HD11 LEU 17 25.899 -7.955 7.955
116 2HD1 LEU 17 HD12 LEU 17 24.309 -7.947 7.195
117 3HD1 LEU 17 HD13 LEU 17 25.682 -7.201 6.376
118 1HD2 LEU 17 HD21 LEU 17 23.888 -10.039 7.258
119 2HD2 LEU 17 HD22 LEU 17 25.343 -10.900 7.759
120 3HD2 LEU 17 HD23 LEU 17 24.646 -11.198 6.167
121 H ASN 18 HN ASN 18 28.546 -9.944 5.546
122 HA ASN 18 HA ASN 18 29.402 -7.440 6.560
123 1HB ASN 18 HB2 ASN 18 29.708 -9.501 7.839
124 2HB ASN 18 HB1 ASN 18 30.809 -10.117 6.608
125 1HD2 ASN 18 HD21 ASN 18 32.705 -10.205 7.611
126 2HD2 ASN 18 HD22 ASN 18 33.465 -8.876 8.430
127 H ARG 19 HN ARG 19 30.549 -9.557 3.973
128 HA ARG 19 HA ARG 19 32.872 -8.220 3.229
129 1HB ARG 19 HB2 ARG 19 30.772 -9.382 1.376
130 2HB ARG 19 HB1 ARG 19 32.411 -8.954 0.907
131 1HG ARG 19 HG2 ARG 19 31.829 -10.984 3.036
132 2HG ARG 19 HG1 ARG 19 31.921 -11.399 1.324
133 1HD ARG 19 HD2 ARG 19 34.199 -10.725 1.200
134 2HD ARG 19 HD1 ARG 19 34.132 -9.978 2.798
135 HE ARG 19 HE ARG 19 34.473 -12.774 2.189
136 1HH1 ARG 19 HH11 ARG 19 33.620 -10.402 4.614
137 2HH1 ARG 19 HH12 ARG 19 33.743 -11.518 5.941
138 1HH2 ARG 19 HH21 ARG 19 34.688 -14.239 3.930
139 2HH2 ARG 19 HH22 ARG 19 34.369 -13.695 5.557
140 H TYR 20 HN TYR 20 29.631 -7.759 1.886
141 HA TYR 20 HA TYR 20 30.193 -5.413 0.463
142 1HB TYR 20 HB2 TYR 20 28.212 -6.168 -0.314
143 2HB TYR 20 HB1 TYR 20 27.848 -7.003 1.189
144 HD1 TYR 20 HD1 TYR 20 26.562 -5.905 2.944
145 HD2 TYR 20 HD2 TYR 20 27.417 -3.931 -0.721
146 HE1 TYR 20 HE1 TYR 20 24.836 -4.222 3.454
147 HE2 TYR 20 HE2 TYR 20 25.695 -2.252 -0.230
148 HH TYR 20 HH TYR 20 24.077 -1.627 1.146
149 H TYR 21 HN TYR 21 29.096 -5.954 3.750
150 HA TYR 21 HA TYR 21 28.280 -3.391 4.447
151 1HB TYR 21 HB2 TYR 21 28.284 -5.727 5.729
152 2HB TYR 21 HB1 TYR 21 29.713 -5.027 6.481
153 HD1 TYR 21 HD1 TYR 21 26.087 -4.670 6.019
154 HD2 TYR 21 HD2 TYR 21 29.541 -3.227 8.030
155 HE1 TYR 21 HE1 TYR 21 24.652 -3.432 7.570
156 HE2 TYR 21 HE2 TYR 21 28.129 -1.981 9.592
157 HH TYR 21 HH TYR 21 25.027 -2.566 10.127
158 H ALA 22 HN ALA 22 31.433 -4.885 5.168
159 HA ALA 22 HA ALA 22 32.504 -2.462 6.183
160 1HB ALA 22 HB1 ALA 22 33.474 -4.367 7.062
161 2HB ALA 22 HB2 ALA 22 34.709 -3.774 5.948
162 3HB ALA 22 HB3 ALA 22 33.672 -5.124 5.481
163 H SER 23 HN SER 23 32.458 -3.944 3.006
164 HA SER 23 HA SER 23 34.367 -2.258 1.787
165 1HB SER 23 HB2 SER 23 31.918 -3.544 0.543
166 2HB SER 23 HB1 SER 23 33.294 -2.885 -0.339
167 HG SER 23 HG SER 23 33.280 -5.109 1.431
168 H LEU 24 HN LEU 24 30.826 -2.015 1.987
169 HA LEU 24 HA LEU 24 30.559 0.463 0.721
170 1HB LEU 24 HB2 LEU 24 28.646 -0.955 0.938
171 2HB LEU 24 HB1 LEU 24 28.818 -1.028 2.681
172 HG LEU 24 HG LEU 24 28.492 1.690 2.088
173 1HD1 LEU 24 HD11 LEU 24 27.404 1.771 0.151
174 2HD1 LEU 24 HD12 LEU 24 26.045 1.036 1.004
175 3HD1 LEU 24 HD13 LEU 24 27.179 0.022 0.110
176 1HD2 LEU 24 HD21 LEU 24 26.592 -0.392 3.152
177 2HD2 LEU 24 HD22 LEU 24 26.314 1.347 3.237
178 3HD2 LEU 24 HD23 LEU 24 27.685 0.630 4.083
179 H ARG 25 HN ARG 25 30.994 -0.481 4.091
180 HA ARG 25 HA ARG 25 30.648 2.007 5.302
181 1HB ARG 25 HB2 ARG 25 31.302 -0.512 6.164
182 2HB ARG 25 HB1 ARG 25 32.799 0.363 6.442
183 1HG ARG 25 HG2 ARG 25 31.528 0.450 8.439
184 2HG ARG 25 HG1 ARG 25 31.486 2.059 7.712
185 1HD ARG 25 HD2 ARG 25 29.290 0.887 6.594
186 2HD ARG 25 HD1 ARG 25 29.318 0.142 8.196
187 HE ARG 25 HE ARG 25 29.102 3.032 7.636
188 1HH1 ARG 25 HH11 ARG 25 28.855 0.334 9.863
189 2HH1 ARG 25 HH12 ARG 25 28.103 1.268 11.114
190 1HH2 ARG 25 HH21 ARG 25 28.100 4.269 9.292
191 2HH2 ARG 25 HH22 ARG 25 27.667 3.494 10.793
192 H HIS 26 HN HIS 26 33.658 0.473 4.186
193 HA HIS 26 HA HIS 26 35.241 2.766 4.789
194 1HB HIS 26 HB2 HIS 26 36.872 1.250 4.640
195 2HB HIS 26 HB1 HIS 26 35.696 0.057 4.130
196 HD1 HIS 26 HD1 HIS 26 38.653 1.875 3.039
197 HD2 HIS 26 HD2 HIS 26 35.539 -0.204 1.228
198 HE1 HIS 26 HE1 HIS 26 39.440 1.372 0.703
199 HE2 HIS 26 HE2 HIS 26 37.607 -0.035 -0.316
200 H TYR 27 HN TYR 27 33.615 1.575 1.929
201 HA TYR 27 HA TYR 27 34.784 3.332 0.043
202 1HB TYR 27 HB2 TYR 27 33.469 1.247 -0.473
203 2HB TYR 27 HB1 TYR 27 32.012 2.128 -0.036
204 HD1 TYR 27 HD1 TYR 27 34.729 3.809 -1.829
205 HD2 TYR 27 HD2 TYR 27 31.032 1.751 -2.196
206 HE1 TYR 27 HE1 TYR 27 34.539 4.577 -4.156
207 HE2 TYR 27 HE2 TYR 27 30.827 2.502 -4.520
208 HH TYR 27 HH TYR 27 33.406 4.399 -6.070
209 H LEU 28 HN LEU 28 31.608 3.415 1.663
210 HA LEU 28 HA LEU 28 30.880 5.951 0.674
211 1HB LEU 28 HB2 LEU 28 29.976 4.430 3.108
212 2HB LEU 28 HB1 LEU 28 29.298 5.986 2.668
213 HG LEU 28 HG LEU 28 28.892 3.320 1.433
214 1HD1 LEU 28 HD11 LEU 28 26.834 3.790 2.091
215 2HD1 LEU 28 HD12 LEU 28 26.789 5.148 0.967
216 3HD1 LEU 28 HD13 LEU 28 27.348 5.391 2.623
217 1HD2 LEU 28 HD21 LEU 28 29.344 3.944 -0.652
218 2HD2 LEU 28 HD22 LEU 28 29.660 5.608 -0.155
219 3HD2 LEU 28 HD23 LEU 28 28.014 5.095 -0.524
220 H ASN 29 HN ASN 29 32.644 5.012 3.580
221 HA ASN 29 HA ASN 29 32.756 7.544 4.802
222 1HB ASN 29 HB2 ASN 29 33.471 5.301 5.798
223 2HB ASN 29 HB1 ASN 29 34.977 5.499 4.907
224 1HD2 ASN 29 HD21 ASN 29 36.388 5.830 6.495
225 2HD2 ASN 29 HD22 ASN 29 36.303 7.113 7.645
226 H LEU 30 HN LEU 30 34.828 6.005 2.388
227 HA LEU 30 HA LEU 30 36.775 8.032 2.260
228 1HB LEU 30 HB2 LEU 30 36.269 5.564 1.014
229 2HB LEU 30 HB1 LEU 30 36.395 6.737 -0.280
230 HG LEU 30 HG LEU 30 38.495 5.406 0.862
231 1HD1 LEU 30 HD11 LEU 30 38.504 6.486 -1.305
232 2HD1 LEU 30 HD12 LEU 30 39.903 7.009 -0.367
233 3HD1 LEU 30 HD13 LEU 30 38.507 8.072 -0.541
234 1HD2 LEU 30 HD21 LEU 30 38.416 8.173 2.062
235 2HD2 LEU 30 HD22 LEU 30 39.822 7.109 2.054
236 3HD2 LEU 30 HD23 LEU 30 38.369 6.647 2.943
237 H VAL 31 HN VAL 31 33.876 7.467 0.273
238 HA VAL 31 HA VAL 31 34.451 9.719 -1.420
239 HB VAL 31 HB VAL 31 31.873 8.156 -1.294
240 1HG1 VAL 31 HG11 VAL 31 32.197 10.414 -2.592
241 2HG1 VAL 31 HG12 VAL 31 31.326 9.067 -3.325
242 3HG1 VAL 31 HG13 VAL 31 33.008 9.374 -3.762
243 1HG2 VAL 31 HG21 VAL 31 33.532 6.515 -1.633
244 2HG2 VAL 31 HG22 VAL 31 34.452 7.559 -2.717
245 3HG2 VAL 31 HG23 VAL 31 32.904 6.891 -3.237
246 H THR 32 HN THR 32 31.852 9.017 0.939
247 HA THR 32 HA THR 32 30.596 11.531 0.555
248 HB THR 32 HB THR 32 30.183 10.029 3.099
249 HG1 THR 32 HG1 THR 32 30.191 8.295 1.769
250 1HG2 THR 32 HG21 THR 32 27.753 10.441 2.039
251 2HG2 THR 32 HG22 THR 32 28.638 11.746 1.251
252 3HG2 THR 32 HG23 THR 32 28.592 11.650 3.011
253 H ARG 33 HN ARG 33 33.060 10.394 2.763
254 HA ARG 33 HA ARG 33 32.975 12.975 4.161
255 1HB ARG 33 HB2 ARG 33 34.521 10.512 4.959
256 2HB ARG 33 HB1 ARG 33 34.241 11.950 5.930
257 1HG ARG 33 HG2 ARG 33 31.815 10.588 4.992
258 2HG ARG 33 HG1 ARG 33 32.811 9.670 6.123
259 1HD ARG 33 HD2 ARG 33 32.829 11.845 7.514
260 2HD ARG 33 HD1 ARG 33 31.448 12.307 6.516
261 HE ARG 33 HE ARG 33 31.558 10.072 8.422
262 1HH1 ARG 33 HH11 ARG 33 29.720 12.057 6.203
263 2HH1 ARG 33 HH12 ARG 33 28.181 11.428 6.700
264 1HH2 ARG 33 HH21 ARG 33 29.530 9.253 9.104
265 2HH2 ARG 33 HH22 ARG 33 28.072 9.875 8.383
266 H GLN 34 HN GLN 34 33.936 13.316 1.727
267 HA GLN 34 HA GLN 34 36.809 13.078 1.659
268 1HB GLN 34 HB2 GLN 34 34.693 14.150 -0.128
269 2HB GLN 34 HB1 GLN 34 36.287 14.874 -0.283
270 1HG GLN 34 HG2 GLN 34 35.641 11.949 -0.542
271 2HG GLN 34 HG1 GLN 34 35.978 13.062 -1.870
272 1HE2 GLN 34 HE21 GLN 34 37.271 10.850 0.264
273 2HE2 GLN 34 HE22 GLN 34 38.952 11.206 0.028
274 H ARG 35 HN ARG 35 36.406 14.188 3.975
275 HA ARG 35 HA ARG 35 36.989 17.054 3.639
276 1HB ARG 35 HB2 ARG 35 34.665 16.366 4.628
277 2HB ARG 35 HB1 ARG 35 35.589 15.997 6.080
278 1HG ARG 35 HG2 ARG 35 36.494 18.353 5.958
279 2HG ARG 35 HG1 ARG 35 35.286 18.657 4.709
280 1HD ARG 35 HD2 ARG 35 34.449 19.385 6.858
281 2HD ARG 35 HD1 ARG 35 33.516 18.003 6.291
282 HE ARG 35 HE ARG 35 35.699 17.269 8.005
283 1HH1 ARG 35 HH11 ARG 35 32.373 18.371 7.951
284 2HH1 ARG 35 HH12 ARG 35 31.997 17.712 9.512
285 1HH2 ARG 35 HH21 ARG 35 35.214 16.380 10.029
286 2HH2 ARG 35 HH22 ARG 35 33.609 16.545 10.684
287 H TYR 36 HN TYR 36 38.689 17.825 4.795
288 HA TYR 36 HA TYR 36 40.361 15.845 6.121
289 1HB TYR 36 HB2 TYR 36 40.772 18.399 4.770
290 2HB TYR 36 HB1 TYR 36 41.666 18.289 6.283
291 HD1 TYR 36 HD1 TYR 36 41.036 15.156 4.604
292 HD2 TYR 36 HD2 TYR 36 43.719 18.449 4.854
293 HE1 TYR 36 HE1 TYR 36 42.766 13.824 3.478
294 HE2 TYR 36 HE2 TYR 36 45.457 17.123 3.730
295 HH TYR 36 HH TYR 36 45.018 13.701 3.072
296 1HN NH2 37 H1 NH2 37 40.597 17.673 9.306
297 2HN NH2 37 H2 NH2 37 41.682 17.157 8.060