Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6708 | 1jei RC | 5074 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 2H ASP 1 HN2 ASP 1 -7.436 1.346 9.543
2 3H ASP 1 HN3 ASP 1 -8.131 2.402 10.677
3 H ASP 1 HN ASP 1 -6.601 2.743 10.029
4 HA ASP 1 HA ASP 1 -8.440 4.096 9.070
5 1HB ASP 1 HB2 ASP 1 -6.200 2.996 7.892
6 2HB ASP 1 HB3 ASP 1 -7.481 2.534 6.771
7 H ASN 2 HN ASN 2 -8.388 0.991 7.307
8 HA ASN 2 HA ASN 2 -11.058 0.206 7.914
9 1HB ASN 2 HB3 ASN 2 -11.990 0.837 5.539
10 2HB ASN 2 HB2 ASN 2 -11.966 2.133 6.755
11 1HD2 ASN 2 HD2 ASN 2 -9.415 0.731 4.490
12 2HD2 ASN 2 HD2 ASN 2 -8.947 2.256 3.914
13 H TYR 3 HN TYR 3 -8.776 -1.252 7.694
14 HA TYR 3 HA TYR 3 -8.688 -2.465 5.006
15 1HB TYR 3 HB2 TYR 3 -7.246 -3.739 7.283
16 2HB TYR 3 HB3 TYR 3 -6.685 -3.422 5.647
17 HD1 TYR 3 HD1 TYR 3 -5.952 -2.649 8.870
18 HD2 TYR 3 HD2 TYR 3 -6.858 -0.607 5.190
19 HE1 TYR 3 HE1 TYR 3 -4.815 -0.621 9.708
20 HE2 TYR 3 HE2 TYR 3 -5.713 1.412 6.033
21 HH TYR 3 HH TYR 3 -4.120 2.083 7.642
22 H ALA 4 HN ALA 4 -11.097 -2.631 6.802
23 HA ALA 4 HA ALA 4 -11.326 -5.609 6.789
24 1HB ALA 4 HB1 ALA 4 -11.371 -5.111 9.092
25 2HB ALA 4 HB2 ALA 4 -12.247 -3.600 8.841
26 3HB ALA 4 HB3 ALA 4 -13.081 -5.143 8.663
27 H ASP 5 HN ASP 5 -12.077 -3.174 4.987
28 HA ASP 5 HA ASP 5 -14.862 -4.111 4.480
29 1HB ASP 5 HB3 ASP 5 -13.868 -1.257 4.711
30 2HB ASP 5 HB2 ASP 5 -15.327 -1.658 3.802
31 H LEU 6 HN LEU 6 -12.164 -2.165 3.152
32 HA LEU 6 HA LEU 6 -12.868 -2.216 0.431
33 1HB LEU 6 HB2 LEU 6 -10.428 -1.898 -0.015
34 2HB LEU 6 HB3 LEU 6 -10.836 -1.049 1.468
35 HG LEU 6 HG LEU 6 -10.158 -3.154 2.672
36 1HD1 LEU 6 HD1 LEU 6 -9.795 -4.088 0.035
37 2HD1 LEU 6 HD1 LEU 6 -8.212 -4.004 0.802
38 3HD1 LEU 6 HD1 LEU 6 -9.503 -4.949 1.540
39 1HD2 LEU 6 HD2 LEU 6 -8.210 -1.445 1.128
40 2HD2 LEU 6 HD2 LEU 6 -8.772 -1.197 2.782
41 3HD2 LEU 6 HD2 LEU 6 -7.694 -2.544 2.409
42 H SER 7 HN SER 7 -11.861 -3.630 -1.264
43 HA SER 7 HA SER 7 -11.795 -6.498 -0.432
44 1HB SER 7 HB2 SER 7 -13.803 -5.397 -1.911
45 2HB SER 7 HB3 SER 7 -12.635 -5.751 -3.217
46 HG SER 7 HG SER 7 -13.756 -7.546 -1.327
47 H ASP 8 HN ASP 8 -10.995 -7.569 -2.919
48 HA ASP 8 HA ASP 8 -8.197 -7.164 -2.819
49 1HB ASP 8 HB3 ASP 8 -8.003 -8.634 -4.637
50 2HB ASP 8 HB2 ASP 8 -9.492 -9.117 -3.836
51 H THR 9 HN THR 9 -10.489 -5.927 -5.317
52 HA THR 9 HA THR 9 -8.756 -4.582 -6.970
53 HB THR 9 HB THR 9 -11.438 -3.673 -5.906
54 HG1 THR 9 HG1 THR 9 -11.694 -5.268 -7.330
55 1HG2 THR 9 HG2 THR 9 -9.424 -2.050 -7.222
56 2HG2 THR 9 HG2 THR 9 -10.821 -2.255 -8.280
57 3HG2 THR 9 HG2 THR 9 -11.033 -1.584 -6.664
58 H GLU 10 HN GLU 10 -10.137 -3.163 -3.988
59 HA GLU 10 HA GLU 10 -8.562 -0.815 -4.008
60 1HB GLU 10 HB3 GLU 10 -9.425 -2.271 -1.509
61 2HB GLU 10 HB2 GLU 10 -9.052 -0.551 -1.677
62 1HG GLU 10 HG2 GLU 10 -10.904 -0.433 -3.409
63 2HG GLU 10 HG3 GLU 10 -11.344 -2.068 -2.932
64 H LEU 11 HN LEU 11 -7.783 -4.012 -2.634
65 HA LEU 11 HA LEU 11 -5.396 -3.229 -1.330
66 1HB LEU 11 HB2 LEU 11 -6.195 -5.562 -1.166
67 2HB LEU 11 HB3 LEU 11 -5.830 -5.803 -2.879
68 HG LEU 11 HG LEU 11 -3.632 -4.648 -1.321
69 1HD1 LEU 11 HD2 LEU 11 -5.000 -6.661 -0.040
70 2HD1 LEU 11 HD2 LEU 11 -3.788 -7.557 -0.954
71 3HD1 LEU 11 HD2 LEU 11 -3.289 -6.309 0.188
72 1HD2 LEU 11 HD1 LEU 11 -2.661 -5.379 -3.207
73 2HD2 LEU 11 HD1 LEU 11 -2.910 -7.010 -2.623
74 3HD2 LEU 11 HD1 LEU 11 -4.107 -6.277 -3.662
75 H THR 12 HN THR 12 -5.977 -4.203 -4.669
76 HA THR 12 HA THR 12 -3.269 -3.629 -5.532
77 HB THR 12 HB THR 12 -5.488 -3.665 -7.517
78 HG1 THR 12 HG1 THR 12 -6.389 -5.327 -6.649
79 1HG2 THR 12 HG2 THR 12 -2.956 -3.810 -7.937
80 2HG2 THR 12 HG2 THR 12 -3.042 -5.427 -7.233
81 3HG2 THR 12 HG2 THR 12 -3.939 -5.058 -8.708
82 H THR 13 HN THR 13 -6.187 -1.811 -5.065
83 HA THR 13 HA THR 13 -5.223 0.423 -6.717
84 HB THR 13 HB THR 13 -7.343 0.985 -4.743
85 HG1 THR 13 HG1 THR 13 -8.749 -0.226 -6.415
86 1HG2 THR 13 HG2 THR 13 -6.428 2.034 -7.121
87 2HG2 THR 13 HG2 THR 13 -7.913 1.194 -7.607
88 3HG2 THR 13 HG2 THR 13 -7.964 2.439 -6.353
89 H LEU 14 HN LEU 14 -4.449 -0.949 -3.812
90 HA LEU 14 HA LEU 14 -3.550 1.612 -2.625
91 1HB LEU 14 HB3 LEU 14 -4.349 -0.980 -1.271
92 2HB LEU 14 HB2 LEU 14 -3.648 0.392 -0.428
93 HG LEU 14 HG LEU 14 -6.215 0.520 -2.062
94 1HD1 LEU 14 HD2 LEU 14 -6.811 -0.876 -0.277
95 2HD1 LEU 14 HD2 LEU 14 -5.704 -0.082 0.841
96 3HD1 LEU 14 HD2 LEU 14 -7.195 0.724 0.355
97 1HD2 LEU 14 HD1 LEU 14 -4.811 2.668 -1.525
98 2HD2 LEU 14 HD1 LEU 14 -6.542 2.678 -1.208
99 3HD2 LEU 14 HD1 LEU 14 -5.414 2.440 0.120
100 H LEU 15 HN LEU 15 -2.722 -1.345 -4.047
101 HA LEU 15 HA LEU 15 0.050 -1.345 -2.956
102 1HB LEU 15 HB3 LEU 15 -1.924 -3.470 -3.609
103 2HB LEU 15 HB2 LEU 15 -0.274 -3.877 -4.105
104 HG LEU 15 HG LEU 15 -0.832 -4.582 -1.827
105 1HD1 LEU 15 HD2 LEU 15 1.438 -2.962 -2.766
106 2HD1 LEU 15 HD2 LEU 15 1.334 -3.058 -1.010
107 3HD1 LEU 15 HD2 LEU 15 1.453 -4.535 -1.972
108 1HD2 LEU 15 HD1 LEU 15 -0.629 -2.728 -0.070
109 2HD2 LEU 15 HD1 LEU 15 -0.922 -1.585 -1.373
110 3HD2 LEU 15 HD1 LEU 15 -2.157 -2.770 -0.947
111 H ARG 16 HN ARG 16 -1.917 -0.590 -5.539
112 HA ARG 16 HA ARG 16 0.357 -0.685 -7.498
113 1HB ARG 16 HB2 ARG 16 -1.932 -2.044 -7.848
114 2HB ARG 16 HB3 ARG 16 -2.536 -0.474 -8.325
115 1HG ARG 16 HG3 ARG 16 -0.037 -0.925 -9.664
116 2HG ARG 16 HG2 ARG 16 -1.088 -2.302 -9.932
117 1HD ARG 16 HD3 ARG 16 -2.891 -0.710 -10.640
118 2HD ARG 16 HD2 ARG 16 -1.746 0.619 -10.448
119 HE ARG 16 HE ARG 16 -0.961 -1.581 -12.269
120 1HH1 ARG 16 HH2 ARG 16 -0.056 1.428 -11.925
121 2HH1 ARG 16 HH2 ARG 16 -0.612 2.057 -13.439
122 1HH2 ARG 16 HH1 ARG 16 -2.589 -0.700 -14.161
123 2HH2 ARG 16 HH1 ARG 16 -2.046 0.853 -14.706
124 H ARG 17 HN ARG 17 -1.983 1.317 -5.792
125 HA ARG 17 HA ARG 17 -1.855 3.476 -7.761
126 1HB ARG 17 HB2 ARG 17 -3.540 4.486 -6.550
127 2HB ARG 17 HB3 ARG 17 -3.815 2.818 -6.082
128 1HG ARG 17 HG3 ARG 17 -3.665 3.566 -3.953
129 2HG ARG 17 HG2 ARG 17 -1.937 3.691 -4.236
130 1HD ARG 17 HD2 ARG 17 -2.951 5.801 -3.348
131 2HD ARG 17 HD3 ARG 17 -2.143 6.016 -4.902
132 HE ARG 17 HE ARG 17 -5.114 6.020 -4.463
133 1HH1 ARG 17 HH2 ARG 17 -2.938 8.050 -5.655
134 2HH1 ARG 17 HH2 ARG 17 -3.516 8.112 -7.286
135 1HH2 ARG 17 HH1 ARG 17 -5.603 5.366 -6.932
136 2HH2 ARG 17 HH1 ARG 17 -5.026 6.592 -8.009
137 H TYR 18 HN TYR 18 -0.232 2.543 -4.812
138 HA TYR 18 HA TYR 18 1.234 5.137 -4.792
139 1HB TYR 18 HB2 TYR 18 1.065 2.851 -2.812
140 2HB TYR 18 HB3 TYR 18 2.297 4.099 -2.690
141 HD1 TYR 18 HD1 TYR 18 -0.739 3.149 -1.450
142 HD2 TYR 18 HD2 TYR 18 1.166 6.618 -3.101
143 HE1 TYR 18 HE1 TYR 18 -2.387 4.597 -0.291
144 HE2 TYR 18 HE2 TYR 18 -0.480 8.071 -1.950
145 HH TYR 18 HH TYR 18 -2.360 8.128 -0.752
146 H ASN 19 HN ASN 19 1.442 1.808 -5.639
147 HA ASN 19 HA ASN 19 3.053 0.771 -6.998
148 1HB ASN 19 HB2 ASN 19 4.996 3.000 -6.425
149 2HB ASN 19 HB3 ASN 19 4.906 1.941 -7.831
150 1HD2 ASN 19 HD2 ASN 19 1.831 2.359 -7.823
151 2HD2 ASN 19 HD2 ASN 19 1.633 3.882 -8.544
152 H ILE 20 HN ILE 20 2.630 0.210 -4.317
153 HA ILE 20 HA ILE 20 5.160 0.073 -2.837
154 HB ILE 20 HB ILE 20 2.406 -1.294 -2.599
155 1HG1 ILE 20 HG1 ILE 20 3.506 0.421 -0.403
156 2HG1 ILE 20 HG1 ILE 20 2.985 1.255 -1.877
157 1HG2 ILE 20 HG2 ILE 20 4.493 -2.629 -1.729
158 2HG2 ILE 20 HG2 ILE 20 4.446 -1.465 -0.400
159 3HG2 ILE 20 HG2 ILE 20 3.055 -2.492 -0.722
160 1HD1 ILE 20 HD1 ILE 20 1.271 0.712 0.076
161 2HD1 ILE 20 HD1 ILE 20 0.784 0.634 -1.615
162 3HD1 ILE 20 HD1 ILE 20 1.190 -0.846 -0.746
163 HA PRO 21 HA PRO 21 6.735 -3.331 -5.119
164 1HB PRO 21 HB3 PRO 21 8.289 -4.509 -3.095
165 2HB PRO 21 HB2 PRO 21 8.845 -3.100 -4.020
166 1HG PRO 21 HG2 PRO 21 7.664 -3.214 -1.261
167 2HG PRO 21 HG3 PRO 21 8.902 -2.127 -1.912
168 1HD PRO 21 HD2 PRO 21 6.285 -1.356 -1.542
169 2HD PRO 21 HD3 PRO 21 7.321 -0.655 -2.795
170 H HIS 22 HN HIS 22 4.745 -4.345 -5.375
171 HA HIS 22 HA HIS 22 4.162 -6.558 -3.444
172 1HB HIS 22 HB2 HIS 22 1.831 -6.231 -3.734
173 2HB HIS 22 HB3 HIS 22 2.462 -4.602 -3.536
174 HD1 HIS 22 HD1 HIS 22 2.637 -3.130 -5.722
175 HD2 HIS 22 HD2 HIS 22 0.805 -6.819 -6.303
176 HE1 HIS 22 HE1 HIS 22 1.613 -3.062 -8.026
177 H GLY 23 HN GLY 23 3.702 -8.582 -4.410
178 1HA GLY 23 HA1 GLY 23 4.069 -8.658 -7.374
179 2HA GLY 23 HA2 GLY 23 4.499 -9.973 -6.282
180 HA PRO 24 HA PRO 24 0.329 -11.333 -7.212
181 1HB PRO 24 HB2 PRO 24 0.447 -13.653 -5.757
182 2HB PRO 24 HB3 PRO 24 1.155 -13.475 -7.367
183 1HG PRO 24 HG3 PRO 24 2.510 -13.563 -4.702
184 2HG PRO 24 HG2 PRO 24 3.141 -14.026 -6.290
185 1HD PRO 24 HD2 PRO 24 3.689 -11.598 -4.911
186 2HD PRO 24 HD3 PRO 24 4.049 -11.955 -6.622
187 H VAL 25 HN VAL 25 -1.464 -10.591 -6.089
188 HA VAL 25 HA VAL 25 -1.221 -9.988 -3.230
189 HB VAL 25 HB VAL 25 -3.685 -9.829 -5.005
190 1HG1 VAL 25 HG2 VAL 25 -4.307 -9.896 -2.694
191 2HG1 VAL 25 HG2 VAL 25 -2.983 -8.819 -2.240
192 3HG1 VAL 25 HG2 VAL 25 -4.346 -8.199 -3.169
193 1HG2 VAL 25 HG1 VAL 25 -1.722 -8.397 -5.735
194 2HG2 VAL 25 HG1 VAL 25 -3.144 -7.474 -5.263
195 3HG2 VAL 25 HG1 VAL 25 -1.775 -7.604 -4.159
196 H VAL 26 HN VAL 26 -0.811 -12.217 -2.537
197 HA VAL 26 HA VAL 26 -3.149 -14.042 -2.728
198 HB VAL 26 HB VAL 26 -1.590 -15.769 -1.912
199 1HG1 VAL 26 HG1 VAL 26 0.249 -15.019 -3.861
200 2HG1 VAL 26 HG1 VAL 26 -1.236 -15.929 -4.139
201 3HG1 VAL 26 HG1 VAL 26 -1.227 -14.177 -4.335
202 1HG2 VAL 26 HG2 VAL 26 0.237 -15.172 -0.737
203 2HG2 VAL 26 HG2 VAL 26 0.883 -14.348 -2.155
204 3HG2 VAL 26 HG2 VAL 26 -0.141 -13.474 -1.017
205 H GLY 27 HN GLY 27 -3.672 -15.289 -0.702
206 1HA GLY 27 HA1 GLY 27 -4.546 -13.643 1.382
207 2HA GLY 27 HA2 GLY 27 -4.283 -15.374 1.561
208 H SER 28 HN SER 28 -1.741 -15.868 1.667
209 HA SER 28 HA SER 28 -0.749 -15.114 4.113
210 1HB SER 28 HB2 SER 28 1.572 -15.499 3.099
211 2HB SER 28 HB3 SER 28 0.410 -16.814 2.924
212 HG SER 28 HG SER 28 0.176 -16.370 0.838
213 H THR 29 HN THR 29 0.612 -13.601 1.158
214 HA THR 29 HA THR 29 1.528 -11.326 2.758
215 HB THR 29 HB THR 29 2.085 -10.531 0.227
216 HG1 THR 29 HG1 THR 29 2.491 -12.598 -0.902
217 1HG2 THR 29 HG2 THR 29 3.471 -12.750 1.774
218 2HG2 THR 29 HG2 THR 29 4.159 -11.990 0.342
219 3HG2 THR 29 HG2 THR 29 3.864 -11.027 1.789
220 H ARG 30 HN ARG 30 -1.310 -11.536 2.777
221 HA ARG 30 HA ARG 30 -2.286 -9.496 0.911
222 1HB ARG 30 HB3 ARG 30 -3.816 -11.255 1.185
223 2HB ARG 30 HB2 ARG 30 -3.581 -11.325 2.930
224 1HG ARG 30 HG3 ARG 30 -5.505 -10.126 3.026
225 2HG ARG 30 HG2 ARG 30 -4.513 -8.746 2.555
226 1HD ARG 30 HD3 ARG 30 -4.919 -9.345 0.146
227 2HD ARG 30 HD2 ARG 30 -6.019 -10.618 0.685
228 HE ARG 30 HE ARG 30 -6.967 -8.288 1.931
229 1HH1 ARG 30 HH2 ARG 30 -7.125 -9.986 -0.987
230 2HH1 ARG 30 HH2 ARG 30 -7.977 -8.752 -1.853
231 1HH2 ARG 30 HH1 ARG 30 -7.709 -6.411 0.692
232 2HH2 ARG 30 HH1 ARG 30 -8.307 -6.728 -0.903
233 H ARG 31 HN ARG 31 -2.067 -9.931 4.479
234 HA ARG 31 HA ARG 31 -2.897 -7.224 5.022
235 1HB ARG 31 HB3 ARG 31 -3.122 -8.755 6.828
236 2HB ARG 31 HB2 ARG 31 -1.460 -9.314 6.676
237 1HG ARG 31 HG2 ARG 31 -0.794 -7.729 8.131
238 2HG ARG 31 HG3 ARG 31 -1.428 -6.474 7.069
239 1HD ARG 31 HD2 ARG 31 -2.461 -6.396 9.331
240 2HD ARG 31 HD3 ARG 31 -3.650 -6.700 8.057
241 HE ARG 31 HE ARG 31 -2.724 -9.248 9.039
242 1HH1 ARG 31 HH1 ARG 31 -4.042 -6.433 10.492
243 2HH1 ARG 31 HH1 ARG 31 -5.244 -7.289 11.399
244 1HH2 ARG 31 HH2 ARG 31 -4.488 -10.370 9.999
245 2HH2 ARG 31 HH2 ARG 31 -5.496 -9.518 11.119
246 H LEU 32 HN LEU 32 0.315 -8.778 4.917
247 HA LEU 32 HA LEU 32 1.994 -6.705 5.548
248 1HB LEU 32 HB3 LEU 32 2.543 -9.085 4.702
249 2HB LEU 32 HB2 LEU 32 2.457 -8.412 3.085
250 HG LEU 32 HG LEU 32 4.781 -8.577 4.086
251 1HD1 LEU 32 HD2 LEU 32 3.933 -6.901 2.262
252 2HD1 LEU 32 HD2 LEU 32 4.181 -5.692 3.523
253 3HD1 LEU 32 HD2 LEU 32 5.529 -6.684 2.972
254 1HD2 LEU 32 HD1 LEU 32 3.855 -7.687 6.378
255 2HD2 LEU 32 HD1 LEU 32 5.476 -7.234 5.855
256 3HD2 LEU 32 HD1 LEU 32 4.144 -6.098 5.660
257 H TYR 33 HN TYR 33 -0.115 -6.890 2.760
258 HA TYR 33 HA TYR 33 1.186 -4.521 1.513
259 1HB TYR 33 HB2 TYR 33 -1.073 -6.342 0.658
260 2HB TYR 33 HB3 TYR 33 -0.655 -4.895 -0.217
261 HD1 TYR 33 HD1 TYR 33 -0.554 -7.299 -1.703
262 HD2 TYR 33 HD2 TYR 33 2.449 -5.748 0.939
263 HE1 TYR 33 HE1 TYR 33 1.176 -8.609 -2.900
264 HE2 TYR 33 HE2 TYR 33 4.174 -7.045 -0.257
265 HH TYR 33 HH TYR 33 4.534 -8.671 -1.761
266 H GLU 34 HN GLU 34 -1.821 -5.478 3.099
267 HA GLU 34 HA GLU 34 -2.892 -2.762 2.860
268 1HB GLU 34 HB3 GLU 34 -3.795 -5.362 4.028
269 2HB GLU 34 HB2 GLU 34 -4.452 -3.900 4.749
270 1HG GLU 34 HG3 GLU 34 -5.464 -3.215 2.695
271 2HG GLU 34 HG2 GLU 34 -4.513 -4.370 1.757
272 H LYS 35 HN LYS 35 -0.421 -4.008 4.578
273 HA LYS 35 HA LYS 35 -1.013 -2.416 7.005
274 1HB LYS 35 HB3 LYS 35 -0.099 -4.132 8.143
275 2HB LYS 35 HB2 LYS 35 -0.323 -5.026 6.677
276 1HG LYS 35 HG3 LYS 35 1.905 -5.426 7.507
277 2HG LYS 35 HG2 LYS 35 2.005 -4.520 6.015
278 1HD LYS 35 HD2 LYS 35 3.389 -3.858 8.206
279 2HD LYS 35 HD3 LYS 35 2.836 -2.659 7.050
280 1HE LYS 35 HE2 LYS 35 2.244 -1.878 9.256
281 2HE LYS 35 HE3 LYS 35 0.757 -2.388 8.460
282 1HZ LYS 35 HZ1 LYS 35 2.029 -4.544 9.823
283 2HZ LYS 35 HZ2 LYS 35 1.684 -3.260 10.880
284 3HZ LYS 35 HZ3 LYS 35 0.440 -3.969 9.966
285 H LYS 36 HN LYS 36 1.215 -2.816 4.378
286 HA LYS 36 HA LYS 36 3.350 -1.093 5.391
287 1HB LYS 36 HB3 LYS 36 2.502 -2.178 2.709
288 2HB LYS 36 HB2 LYS 36 3.655 -0.841 2.753
289 1HG LYS 36 HG2 LYS 36 4.108 -3.243 4.508
290 2HG LYS 36 HG3 LYS 36 4.558 -3.314 2.800
291 1HD LYS 36 HD3 LYS 36 6.144 -1.589 2.997
292 2HD LYS 36 HD2 LYS 36 5.411 -0.947 4.461
293 1HE LYS 36 HE3 LYS 36 6.342 -2.677 5.816
294 2HE LYS 36 HE2 LYS 36 6.755 -3.666 4.412
295 1HZ LYS 36 HZ1 LYS 36 8.596 -2.485 4.010
296 2HZ LYS 36 HZ2 LYS 36 7.892 -1.003 4.451
297 3HZ LYS 36 HZ3 LYS 36 8.473 -2.061 5.647
298 H ILE 37 HN ILE 37 0.569 -0.907 3.501
299 HA ILE 37 HA ILE 37 0.403 1.710 2.601
300 HB ILE 37 HB ILE 37 -0.870 -0.641 2.363
301 1HG1 ILE 37 HG1 ILE 37 -1.042 1.600 0.985
302 2HG1 ILE 37 HG1 ILE 37 -2.341 0.425 0.854
303 1HG2 ILE 37 HG2 ILE 37 -2.065 -0.728 4.431
304 2HG2 ILE 37 HG2 ILE 37 -2.567 0.965 4.313
305 3HG2 ILE 37 HG2 ILE 37 -3.270 -0.234 3.239
306 1HD1 ILE 37 HD1 ILE 37 -3.611 1.674 2.602
307 2HD1 ILE 37 HD1 ILE 37 -2.329 2.887 2.626
308 3HD1 ILE 37 HD1 ILE 37 -3.293 2.654 1.169
309 H PHE 38 HN PHE 38 0.703 0.942 5.843
310 HA PHE 38 HA PHE 38 -1.339 2.836 6.808
311 1HB PHE 38 HB2 PHE 38 -0.508 0.526 7.861
312 2HB PHE 38 HB3 PHE 38 0.701 1.564 8.599
313 HD1 PHE 38 HD1 PHE 38 -2.328 0.087 9.188
314 HD2 PHE 38 HD2 PHE 38 -0.470 3.942 9.432
315 HE1 PHE 38 HE1 PHE 38 -3.994 0.780 10.893
316 HE2 PHE 38 HE2 PHE 38 -2.132 4.643 11.132
317 HZ PHE 38 HZ PHE 38 -3.895 3.060 11.865
318 H GLU 39 HN GLU 39 2.214 2.454 7.419
319 HA GLU 39 HA GLU 39 2.512 5.209 8.237
320 1HB GLU 39 HB2 GLU 39 4.483 3.098 7.324
321 2HB GLU 39 HB3 GLU 39 5.001 4.753 7.661
322 1HG GLU 39 HG3 GLU 39 4.669 4.550 9.903
323 2HG GLU 39 HG2 GLU 39 3.233 3.514 9.648
324 H TYR 40 HN TYR 40 2.518 3.545 5.249
325 HA TYR 40 HA TYR 40 3.873 5.319 3.549
326 1HB TYR 40 HB2 TYR 40 2.701 3.141 2.894
327 2HB TYR 40 HB3 TYR 40 1.211 4.079 2.807
328 HD1 TYR 40 HD1 TYR 40 1.276 6.245 1.354
329 HD2 TYR 40 HD2 TYR 40 4.148 3.065 1.038
330 HE1 TYR 40 HE1 TYR 40 1.912 7.045 -0.905
331 HE2 TYR 40 HE2 TYR 40 4.781 3.862 -1.229
332 HH TYR 40 HH TYR 40 4.021 5.192 -2.983
333 H GLU 41 HN GLU 41 0.920 5.839 5.313
334 HA GLU 41 HA GLU 41 0.669 8.483 3.936
335 1HB GLU 41 HB3 GLU 41 -1.402 6.422 4.602
336 2HB GLU 41 HB2 GLU 41 -1.862 8.128 4.632
337 1HG GLU 41 HG3 GLU 41 -0.456 8.013 2.291
338 2HG GLU 41 HG2 GLU 41 -1.173 6.402 2.332
339 H THR 42 HN THR 42 1.633 7.319 6.833
340 HA THR 42 HA THR 42 0.340 9.593 8.275
341 HB THR 42 HB THR 42 0.856 6.860 9.453
342 HG1 THR 42 HG1 THR 42 -1.514 8.158 8.600
343 1HG2 THR 42 HG2 THR 42 -0.722 7.947 11.230
344 2HG2 THR 42 HG2 THR 42 0.994 8.358 11.234
345 3HG2 THR 42 HG2 THR 42 -0.178 9.466 10.520
346 H GLN 43 HN GLN 43 3.201 8.807 7.137
347 HA GLN 43 HA GLN 43 4.691 10.386 8.933
348 1HB GLN 43 HB3 GLN 43 6.044 8.713 10.131
349 2HB GLN 43 HB2 GLN 43 4.355 8.586 10.566
350 1HG GLN 43 HG3 GLN 43 4.452 6.398 10.072
351 2HG GLN 43 HG2 GLN 43 4.611 6.845 8.375
352 1HE2 GLN 43 HE2 GLN 43 7.547 8.062 9.838
353 2HE2 GLN 43 HE2 GLN 43 8.469 6.664 9.595
354 H ARG 44 HN ARG 44 4.730 7.671 6.711
355 HA ARG 44 HA ARG 44 6.899 9.027 5.213
356 1HB ARG 44 HB2 ARG 44 6.918 6.085 5.966
357 2HB ARG 44 HB3 ARG 44 8.003 6.816 4.792
358 1HG ARG 44 HG2 ARG 44 9.109 8.107 6.420
359 2HG ARG 44 HG3 ARG 44 7.801 7.915 7.590
360 1HD ARG 44 HD2 ARG 44 9.717 6.495 8.208
361 2HD ARG 44 HD3 ARG 44 8.323 5.496 7.769
362 HE ARG 44 HE ARG 44 9.891 5.897 5.382
363 1HH1 ARG 44 HH2 ARG 44 8.990 3.269 6.761
364 2HH1 ARG 44 HH2 ARG 44 10.527 2.513 7.021
365 1HH2 ARG 44 HH1 ARG 44 12.346 5.415 6.479
366 2HH2 ARG 44 HH1 ARG 44 12.426 3.727 6.860
367 H ARG 45 HN ARG 45 7.063 7.633 2.984
368 HA ARG 45 HA ARG 45 4.641 6.311 2.157
369 1HB ARG 45 HB2 ARG 45 4.068 8.134 0.533
370 2HB ARG 45 HB3 ARG 45 3.726 8.533 2.203
371 1HG ARG 45 HG3 ARG 45 6.067 9.616 2.217
372 2HG ARG 45 HG2 ARG 45 6.005 9.487 0.460
373 1HD ARG 45 HD2 ARG 45 5.221 11.708 1.364
374 2HD ARG 45 HD3 ARG 45 4.042 10.879 0.344
375 HE ARG 45 HE ARG 45 3.611 10.153 3.113
376 1HH1 ARG 45 HH1 ARG 45 1.836 11.331 0.740
377 2HH1 ARG 45 HH1 ARG 45 1.129 12.670 1.581
378 1HH2 ARG 45 HH2 ARG 45 3.333 12.495 4.253
379 2HH2 ARG 45 HH2 ARG 45 1.977 13.329 3.570
380 H ARG 46 HN ARG 46 7.364 8.382 0.953
381 HA ARG 46 HA ARG 46 8.102 6.156 -0.886
382 1HB ARG 46 HB2 ARG 46 8.015 9.088 -1.681
383 2HB ARG 46 HB3 ARG 46 8.396 7.722 -2.733
384 1HG ARG 46 HG2 ARG 46 5.941 6.975 -1.770
385 2HG ARG 46 HG3 ARG 46 5.771 8.729 -1.802
386 1HD ARG 46 HD2 ARG 46 6.940 8.378 -4.206
387 2HD ARG 46 HD3 ARG 46 6.136 6.807 -4.057
388 HE ARG 46 HE ARG 46 4.211 8.853 -3.370
389 1HH1 ARG 46 HH2 ARG 46 3.952 6.617 -5.457
390 2HH1 ARG 46 HH2 ARG 46 3.725 7.543 -6.903
391 1HH2 ARG 46 HH1 ARG 46 4.844 10.508 -5.496
392 2HH2 ARG 46 HH1 ARG 46 4.230 9.745 -6.925
393 H LEU 47 HN LEU 47 9.225 9.490 -0.255
394 HA LEU 47 HA LEU 47 11.455 10.244 0.074
395 1HB LEU 47 HB2 LEU 47 12.293 9.578 2.243
396 2HB LEU 47 HB3 LEU 47 10.535 9.500 2.373
397 HG LEU 47 HG LEU 47 11.852 6.996 1.464
398 1HD1 LEU 47 HD1 LEU 47 13.327 8.093 3.318
399 2HD1 LEU 47 HD1 LEU 47 11.976 7.725 4.391
400 3HD1 LEU 47 HD1 LEU 47 12.813 6.420 3.549
401 1HD2 LEU 47 HD2 LEU 47 9.471 7.915 2.915
402 2HD2 LEU 47 HD2 LEU 47 9.707 6.451 1.960
403 3HD2 LEU 47 HD2 LEU 47 10.227 6.500 3.644
404 H SER 48 HN SER 48 11.313 8.396 -2.052
405 HA SER 48 HA SER 48 12.930 6.161 -2.052
406 1HB SER 48 HB2 SER 48 13.787 7.443 -4.348
407 2HB SER 48 HB3 SER 48 12.324 6.466 -4.215
408 HG SER 48 HG SER 48 12.150 8.736 -5.010
409 HA PRO 49 HA PRO 49 17.032 7.466 -1.133
410 1HB PRO 49 HB3 PRO 49 18.465 5.697 -2.688
411 2HB PRO 49 HB2 PRO 49 17.636 5.233 -1.182
412 1HG PRO 49 HG2 PRO 49 16.914 4.628 -4.010
413 2HG PRO 49 HG3 PRO 49 16.409 3.801 -2.529
414 1HD PRO 49 HD2 PRO 49 14.864 5.694 -4.067
415 2HD PRO 49 HD3 PRO 49 14.404 4.949 -2.521
416 HA PRO 50 HA PRO 50 17.781 10.132 -4.739
417 1HB PRO 50 HB2 PRO 50 18.987 12.130 -3.282
418 2HB PRO 50 HB3 PRO 50 17.232 11.971 -3.465
419 1HG PRO 50 HG2 PRO 50 18.954 11.332 -1.107
420 2HG PRO 50 HG3 PRO 50 17.254 11.825 -1.150
421 1HD PRO 50 HD3 PRO 50 18.217 9.182 -0.788
422 2HD PRO 50 HD2 PRO 50 16.543 9.621 -1.184
423 H SER 51 HN SER 51 20.151 9.586 -2.092
424 HA SER 51 HA SER 51 22.301 9.467 -4.210
425 1HB SER 51 HB2 SER 51 23.622 9.696 -1.801
426 2HB SER 51 HB3 SER 51 23.250 11.044 -2.875
427 HG SER 51 HG SER 51 22.362 10.614 -0.424
428 H SER 52 HN SER 52 22.035 8.255 -0.848
429 HA SER 52 HA SER 52 22.439 5.496 -1.906
430 1HB SER 52 HB2 SER 52 24.397 7.049 -0.525
431 2HB SER 52 HB3 SER 52 23.863 5.767 0.562
432 HG SER 52 HG SER 52 24.091 4.467 -1.543
433 H SER 53 HN SER 53 22.472 6.742 1.425
434 HA SER 53 HA SER 53 19.720 5.862 1.908
435 1HB SER 53 HB2 SER 53 21.471 4.486 3.797
436 2HB SER 53 HB3 SER 53 20.118 3.851 2.859
437 HG SER 53 HG SER 53 22.535 3.243 2.452
Start of MODEL 2
1 2H ASP 1 HN2 ASP 1 -9.769 4.682 9.099
2 3H ASP 1 HN3 ASP 1 -8.962 3.514 8.165
3 H ASP 1 HN ASP 1 -10.431 3.127 8.919
4 HA ASP 1 HA ASP 1 -11.385 5.057 7.525
5 1HB ASP 1 HB2 ASP 1 -8.668 5.004 6.690
6 2HB ASP 1 HB3 ASP 1 -9.635 4.412 5.339
7 H ASN 2 HN ASN 2 -9.576 2.195 6.337
8 HA ASN 2 HA ASN 2 -12.000 0.614 6.107
9 1HB ASN 2 HB3 ASN 2 -11.700 0.396 3.513
10 2HB ASN 2 HB2 ASN 2 -12.502 1.881 4.084
11 1HD2 ASN 2 HD2 ASN 2 -9.009 0.786 3.650
12 2HD2 ASN 2 HD2 ASN 2 -8.542 2.236 2.901
13 H TYR 3 HN TYR 3 -9.500 0.177 7.349
14 HA TYR 3 HA TYR 3 -7.717 -1.372 5.670
15 1HB TYR 3 HB2 TYR 3 -8.011 -0.920 8.595
16 2HB TYR 3 HB3 TYR 3 -7.249 -2.434 8.116
17 HD1 TYR 3 HD1 TYR 3 -4.928 -2.205 8.387
18 HD2 TYR 3 HD2 TYR 3 -7.159 0.991 6.543
19 HE1 TYR 3 HE1 TYR 3 -2.831 -0.996 7.920
20 HE2 TYR 3 HE2 TYR 3 -5.064 2.184 6.069
21 HH TYR 3 HH TYR 3 -1.983 0.692 6.409
22 H ALA 4 HN ALA 4 -10.847 -1.989 6.743
23 HA ALA 4 HA ALA 4 -10.437 -4.941 6.536
24 1HB ALA 4 HB1 ALA 4 -12.582 -3.258 7.843
25 2HB ALA 4 HB2 ALA 4 -12.836 -4.967 7.488
26 3HB ALA 4 HB3 ALA 4 -11.546 -4.477 8.587
27 H ASP 5 HN ASP 5 -12.629 -2.307 5.524
28 HA ASP 5 HA ASP 5 -13.829 -3.992 3.443
29 1HB ASP 5 HB2 ASP 5 -14.900 -2.010 4.824
30 2HB ASP 5 HB3 ASP 5 -14.191 -1.017 3.551
31 H LEU 6 HN LEU 6 -12.224 -4.463 1.936
32 HA LEU 6 HA LEU 6 -11.640 -2.523 -0.087
33 1HB LEU 6 HB3 LEU 6 -9.088 -2.556 0.348
34 2HB LEU 6 HB2 LEU 6 -10.033 -1.624 1.503
35 HG LEU 6 HG LEU 6 -10.116 -3.943 2.759
36 1HD1 LEU 6 HD1 LEU 6 -7.637 -4.769 2.572
37 2HD1 LEU 6 HD1 LEU 6 -8.818 -5.374 1.411
38 3HD1 LEU 6 HD1 LEU 6 -7.712 -4.079 0.957
39 1HD2 LEU 6 HD2 LEU 6 -7.531 -2.735 3.188
40 2HD2 LEU 6 HD2 LEU 6 -8.742 -1.495 2.842
41 3HD2 LEU 6 HD2 LEU 6 -8.988 -2.631 4.174
42 H SER 7 HN SER 7 -12.699 -4.946 -0.323
43 HA SER 7 HA SER 7 -11.342 -7.294 -0.596
44 1HB SER 7 HB2 SER 7 -13.560 -6.050 -2.027
45 2HB SER 7 HB3 SER 7 -12.612 -7.125 -3.095
46 HG SER 7 HG SER 7 -14.401 -7.864 -1.389
47 H ASP 8 HN ASP 8 -10.359 -8.318 -2.623
48 HA ASP 8 HA ASP 8 -7.903 -7.539 -3.296
49 1HB ASP 8 HB3 ASP 8 -8.003 -8.763 -5.294
50 2HB ASP 8 HB2 ASP 8 -9.266 -9.452 -4.281
51 H THR 9 HN THR 9 -10.697 -6.135 -5.097
52 HA THR 9 HA THR 9 -9.230 -4.539 -6.840
53 HB THR 9 HB THR 9 -11.808 -3.849 -5.401
54 HG1 THR 9 HG1 THR 9 -12.711 -4.536 -7.257
55 1HG2 THR 9 HG2 THR 9 -10.647 -2.408 -7.802
56 2HG2 THR 9 HG2 THR 9 -12.041 -1.940 -6.833
57 3HG2 THR 9 HG2 THR 9 -10.416 -1.808 -6.158
58 H GLU 10 HN GLU 10 -10.387 -3.471 -3.605
59 HA GLU 10 HA GLU 10 -8.880 -1.068 -3.587
60 1HB GLU 10 HB2 GLU 10 -9.670 -2.713 -1.216
61 2HB GLU 10 HB3 GLU 10 -9.200 -1.014 -1.186
62 1HG GLU 10 HG3 GLU 10 -11.715 -2.275 -1.899
63 2HG GLU 10 HG2 GLU 10 -11.429 -0.649 -1.325
64 H LEU 11 HN LEU 11 -8.047 -4.258 -2.221
65 HA LEU 11 HA LEU 11 -5.651 -3.473 -0.967
66 1HB LEU 11 HB3 LEU 11 -6.369 -5.825 -0.862
67 2HB LEU 11 HB2 LEU 11 -6.022 -6.007 -2.588
68 HG LEU 11 HG LEU 11 -3.825 -4.790 -1.096
69 1HD1 LEU 11 HD2 LEU 11 -3.410 -6.352 0.478
70 2HD1 LEU 11 HD2 LEU 11 -5.112 -6.782 0.293
71 3HD1 LEU 11 HD2 LEU 11 -3.873 -7.670 -0.597
72 1HD2 LEU 11 HD1 LEU 11 -3.113 -7.212 -2.339
73 2HD2 LEU 11 HD1 LEU 11 -4.306 -6.467 -3.382
74 3HD2 LEU 11 HD1 LEU 11 -2.840 -5.590 -2.944
75 H THR 12 HN THR 12 -6.211 -4.337 -4.328
76 HA THR 12 HA THR 12 -3.525 -3.675 -5.178
77 HB THR 12 HB THR 12 -5.760 -3.628 -7.146
78 HG1 THR 12 HG1 THR 12 -5.184 -5.816 -5.457
79 1HG2 THR 12 HG2 THR 12 -3.389 -3.718 -7.815
80 2HG2 THR 12 HG2 THR 12 -3.173 -5.191 -6.865
81 3HG2 THR 12 HG2 THR 12 -4.213 -5.204 -8.292
82 H THR 13 HN THR 13 -6.542 -1.958 -4.733
83 HA THR 13 HA THR 13 -5.622 0.395 -6.212
84 HB THR 13 HB THR 13 -7.759 0.759 -4.178
85 HG1 THR 13 HG1 THR 13 -8.310 -0.742 -6.496
86 1HG2 THR 13 HG2 THR 13 -8.753 1.400 -6.658
87 2HG2 THR 13 HG2 THR 13 -7.890 2.523 -5.588
88 3HG2 THR 13 HG2 THR 13 -7.019 1.677 -6.868
89 H LEU 14 HN LEU 14 -4.737 -1.083 -3.395
90 HA LEU 14 HA LEU 14 -3.943 1.459 -2.062
91 1HB LEU 14 HB3 LEU 14 -4.499 -1.276 -0.863
92 2HB LEU 14 HB2 LEU 14 -3.870 0.086 0.051
93 HG LEU 14 HG LEU 14 -6.531 0.082 -1.442
94 1HD1 LEU 14 HD2 LEU 14 -5.745 -0.875 1.238
95 2HD1 LEU 14 HD2 LEU 14 -7.125 0.222 1.232
96 3HD1 LEU 14 HD2 LEU 14 -7.175 -1.260 0.282
97 1HD2 LEU 14 HD1 LEU 14 -5.891 1.946 0.813
98 2HD2 LEU 14 HD1 LEU 14 -5.206 2.309 -0.777
99 3HD2 LEU 14 HD1 LEU 14 -6.952 2.183 -0.573
100 H LEU 15 HN LEU 15 -3.003 -1.439 -3.585
101 HA LEU 15 HA LEU 15 -0.189 -1.296 -2.625
102 1HB LEU 15 HB3 LEU 15 -2.119 -3.454 -3.213
103 2HB LEU 15 HB2 LEU 15 -0.499 -3.827 -3.810
104 HG LEU 15 HG LEU 15 -0.932 -4.575 -1.512
105 1HD1 LEU 15 HD2 LEU 15 1.286 -2.974 -2.566
106 2HD1 LEU 15 HD2 LEU 15 1.270 -3.027 -0.805
107 3HD1 LEU 15 HD2 LEU 15 1.336 -4.528 -1.734
108 1HD2 LEU 15 HD1 LEU 15 -0.569 -2.666 0.230
109 2HD2 LEU 15 HD1 LEU 15 -1.107 -1.589 -1.045
110 3HD2 LEU 15 HD1 LEU 15 -2.183 -2.849 -0.451
111 H ARG 16 HN ARG 16 -2.239 -0.459 -5.039
112 HA ARG 16 HA ARG 16 -0.084 -0.429 -7.126
113 1HB ARG 16 HB2 ARG 16 -2.256 -1.945 -7.395
114 2HB ARG 16 HB3 ARG 16 -3.011 -0.427 -7.820
115 1HG ARG 16 HG2 ARG 16 -0.505 -0.625 -9.219
116 2HG ARG 16 HG3 ARG 16 -1.454 -2.083 -9.497
117 1HD ARG 16 HD3 ARG 16 -2.711 0.651 -9.713
118 2HD ARG 16 HD2 ARG 16 -1.858 -0.073 -11.077
119 HE ARG 16 HE ARG 16 -3.976 -1.705 -9.805
120 1HH1 ARG 16 HH2 ARG 16 -3.319 0.745 -12.100
121 2HH1 ARG 16 HH2 ARG 16 -4.353 0.081 -13.322
122 1HH2 ARG 16 HH1 ARG 16 -5.133 -2.760 -11.492
123 2HH2 ARG 16 HH1 ARG 16 -5.380 -1.903 -12.977
124 H ARG 17 HN ARG 17 -2.434 1.402 -5.260
125 HA ARG 17 HA ARG 17 -2.535 3.594 -7.199
126 1HB ARG 17 HB2 ARG 17 -4.152 4.548 -5.824
127 2HB ARG 17 HB3 ARG 17 -4.385 2.845 -5.473
128 1HG ARG 17 HG2 ARG 17 -4.124 3.430 -3.298
129 2HG ARG 17 HG3 ARG 17 -2.415 3.598 -3.671
130 1HD ARG 17 HD2 ARG 17 -3.388 5.625 -2.567
131 2HD ARG 17 HD3 ARG 17 -2.682 5.964 -4.149
132 HE ARG 17 HE ARG 17 -5.620 5.894 -3.529
133 1HH1 ARG 17 HH2 ARG 17 -3.538 8.037 -4.692
134 2HH1 ARG 17 HH2 ARG 17 -4.218 8.217 -6.276
135 1HH2 ARG 17 HH1 ARG 17 -6.256 5.425 -6.005
136 2HH2 ARG 17 HH1 ARG 17 -5.757 6.736 -7.019
137 H TYR 18 HN TYR 18 -0.667 2.624 -4.446
138 HA TYR 18 HA TYR 18 0.656 5.293 -4.379
139 1HB TYR 18 HB2 TYR 18 0.677 2.949 -2.454
140 2HB TYR 18 HB3 TYR 18 1.870 4.238 -2.360
141 HD1 TYR 18 HD1 TYR 18 -1.114 3.132 -1.076
142 HD2 TYR 18 HD2 TYR 18 0.672 6.721 -2.589
143 HE1 TYR 18 HE1 TYR 18 -2.747 4.474 0.217
144 HE2 TYR 18 HE2 TYR 18 -0.961 8.076 -1.302
145 HH TYR 18 HH TYR 18 -2.509 8.002 0.354
146 H ASN 19 HN ASN 19 1.090 1.903 -5.136
147 HA ASN 19 HA ASN 19 2.611 1.035 -6.715
148 1HB ASN 19 HB2 ASN 19 4.257 2.356 -7.717
149 2HB ASN 19 HB3 ASN 19 3.244 3.629 -7.046
150 1HD2 ASN 19 HD2 ASN 19 4.230 3.061 -4.181
151 2HD2 ASN 19 HD2 ASN 19 5.816 3.659 -4.155
152 H ILE 20 HN ILE 20 2.315 0.469 -3.914
153 HA ILE 20 HA ILE 20 4.911 0.212 -2.626
154 HB ILE 20 HB ILE 20 2.225 -1.278 -2.334
155 1HG1 ILE 20 HG1 ILE 20 3.375 0.413 -0.137
156 2HG1 ILE 20 HG1 ILE 20 2.690 1.257 -1.536
157 1HG2 ILE 20 HG2 ILE 20 4.401 -2.553 -1.639
158 2HG2 ILE 20 HG2 ILE 20 4.390 -1.449 -0.260
159 3HG2 ILE 20 HG2 ILE 20 3.023 -2.518 -0.544
160 1HD1 ILE 20 HD1 ILE 20 0.577 0.689 -0.986
161 2HD1 ILE 20 HD1 ILE 20 1.030 -0.969 -0.583
162 3HD1 ILE 20 HD1 ILE 20 1.243 0.318 0.605
163 HA PRO 21 HA PRO 21 6.477 -2.984 -5.185
164 1HB PRO 21 HB2 PRO 21 8.168 -4.211 -3.344
165 2HB PRO 21 HB3 PRO 21 8.573 -2.745 -4.255
166 1HG PRO 21 HG3 PRO 21 7.644 -3.027 -1.410
167 2HG PRO 21 HG2 PRO 21 8.802 -1.874 -2.096
168 1HD PRO 21 HD2 PRO 21 6.170 -1.220 -1.500
169 2HD PRO 21 HD3 PRO 21 7.075 -0.397 -2.782
170 H HIS 22 HN HIS 22 4.464 -4.025 -5.359
171 HA HIS 22 HA HIS 22 4.052 -6.334 -3.497
172 1HB HIS 22 HB2 HIS 22 1.696 -6.102 -3.747
173 2HB HIS 22 HB3 HIS 22 2.274 -4.462 -3.471
174 HD1 HIS 22 HD1 HIS 22 2.295 -2.850 -5.552
175 HD2 HIS 22 HD2 HIS 22 0.701 -6.610 -6.353
176 HE1 HIS 22 HE1 HIS 22 1.231 -2.703 -7.840
177 H GLY 23 HN GLY 23 3.642 -8.342 -4.484
178 1HA GLY 23 HA1 GLY 23 3.934 -8.358 -7.457
179 2HA GLY 23 HA2 GLY 23 4.455 -9.667 -6.400
180 HA PRO 24 HA PRO 24 0.351 -11.239 -7.257
181 1HB PRO 24 HB2 PRO 24 0.594 -13.526 -5.770
182 2HB PRO 24 HB3 PRO 24 1.278 -13.338 -7.391
183 1HG PRO 24 HG2 PRO 24 2.655 -13.321 -4.736
184 2HG PRO 24 HG3 PRO 24 3.294 -13.778 -6.321
185 1HD PRO 24 HD3 PRO 24 3.746 -11.312 -4.988
186 2HD PRO 24 HD2 PRO 24 4.093 -11.671 -6.701
187 H VAL 25 HN VAL 25 -1.486 -10.615 -6.153
188 HA VAL 25 HA VAL 25 -1.310 -10.043 -3.263
189 HB VAL 25 HB VAL 25 -3.668 -9.819 -5.174
190 1HG1 VAL 25 HG2 VAL 25 -4.484 -8.307 -3.285
191 2HG1 VAL 25 HG2 VAL 25 -4.508 -10.038 -2.956
192 3HG1 VAL 25 HG2 VAL 25 -3.219 -9.029 -2.293
193 1HG2 VAL 25 HG1 VAL 25 -1.640 -8.306 -5.586
194 2HG2 VAL 25 HG1 VAL 25 -3.157 -7.468 -5.279
195 3HG2 VAL 25 HG1 VAL 25 -1.949 -7.594 -4.001
196 H VAL 26 HN VAL 26 -0.831 -12.398 -2.849
197 HA VAL 26 HA VAL 26 -3.096 -14.258 -3.178
198 HB VAL 26 HB VAL 26 -1.496 -15.905 -2.161
199 1HG1 VAL 26 HG1 VAL 26 0.320 -15.275 -4.109
200 2HG1 VAL 26 HG1 VAL 26 -1.212 -16.096 -4.412
201 3HG1 VAL 26 HG1 VAL 26 -1.086 -14.352 -4.640
202 1HG2 VAL 26 HG2 VAL 26 -0.270 -13.643 -1.147
203 2HG2 VAL 26 HG2 VAL 26 0.458 -15.247 -1.198
204 3HG2 VAL 26 HG2 VAL 26 0.797 -14.085 -2.479
205 H GLY 27 HN GLY 27 -3.499 -15.727 -1.160
206 1HA GLY 27 HA1 GLY 27 -4.334 -13.943 1.029
207 2HA GLY 27 HA2 GLY 27 -4.754 -15.650 0.863
208 H SER 28 HN SER 28 -1.593 -14.044 0.903
209 HA SER 28 HA SER 28 -0.934 -15.405 3.464
210 1HB SER 28 HB2 SER 28 1.391 -15.557 1.837
211 2HB SER 28 HB3 SER 28 0.425 -16.897 2.455
212 HG SER 28 HG SER 28 0.660 -16.720 0.098
213 H THR 29 HN THR 29 0.600 -13.417 0.906
214 HA THR 29 HA THR 29 1.893 -11.741 2.952
215 HB THR 29 HB THR 29 2.539 -10.493 0.640
216 HG1 THR 29 HG1 THR 29 2.588 -12.483 -0.861
217 1HG2 THR 29 HG2 THR 29 4.336 -12.249 0.274
218 2HG2 THR 29 HG2 THR 29 4.244 -11.628 1.923
219 3HG2 THR 29 HG2 THR 29 3.560 -13.211 1.529
220 H ARG 30 HN ARG 30 -1.136 -11.913 2.292
221 HA ARG 30 HA ARG 30 -2.055 -9.540 1.130
222 1HB ARG 30 HB2 ARG 30 -3.087 -11.675 2.883
223 2HB ARG 30 HB3 ARG 30 -3.946 -10.154 2.986
224 1HG ARG 30 HG3 ARG 30 -3.303 -10.958 0.234
225 2HG ARG 30 HG2 ARG 30 -4.381 -12.078 1.068
226 1HD ARG 30 HD2 ARG 30 -5.996 -10.360 1.499
227 2HD ARG 30 HD3 ARG 30 -4.843 -9.084 1.101
228 HE ARG 30 HE ARG 30 -5.114 -10.647 -1.231
229 1HH1 ARG 30 HH1 ARG 30 -6.690 -8.277 0.675
230 2HH1 ARG 30 HH1 ARG 30 -7.963 -7.998 -0.466
231 1HH2 ARG 30 HH2 ARG 30 -6.923 -10.492 -2.638
232 2HH2 ARG 30 HH2 ARG 30 -8.095 -9.253 -2.341
233 H ARG 31 HN ARG 31 -1.693 -10.243 4.641
234 HA ARG 31 HA ARG 31 -2.378 -7.648 5.538
235 1HB ARG 31 HB2 ARG 31 -2.244 -9.375 7.169
236 2HB ARG 31 HB3 ARG 31 -0.588 -9.777 6.724
237 1HG ARG 31 HG3 ARG 31 0.036 -7.402 7.458
238 2HG ARG 31 HG2 ARG 31 -1.578 -7.299 8.157
239 1HD ARG 31 HD3 ARG 31 -0.919 -9.583 9.294
240 2HD ARG 31 HD2 ARG 31 0.734 -9.053 8.952
241 HE ARG 31 HE ARG 31 -0.644 -6.862 10.205
242 1HH1 ARG 31 HH1 ARG 31 -1.326 -9.716 11.513
243 2HH1 ARG 31 HH1 ARG 31 -0.303 -9.605 12.906
244 1HH2 ARG 31 HH2 ARG 31 1.464 -6.869 11.719
245 2HH2 ARG 31 HH2 ARG 31 1.277 -7.993 13.022
246 H LEU 32 HN LEU 32 0.881 -8.956 4.895
247 HA LEU 32 HA LEU 32 2.502 -6.848 5.496
248 1HB LEU 32 HB3 LEU 32 2.995 -9.120 4.282
249 2HB LEU 32 HB2 LEU 32 2.772 -8.197 2.808
250 HG LEU 32 HG LEU 32 5.167 -8.455 3.575
251 1HD1 LEU 32 HD2 LEU 32 5.799 -6.301 2.846
252 2HD1 LEU 32 HD2 LEU 32 4.241 -6.592 2.075
253 3HD1 LEU 32 HD2 LEU 32 4.343 -5.559 3.497
254 1HD2 LEU 32 HD1 LEU 32 4.666 -6.279 5.578
255 2HD2 LEU 32 HD1 LEU 32 4.393 -7.960 6.055
256 3HD2 LEU 32 HD1 LEU 32 5.983 -7.446 5.495
257 H TYR 33 HN TYR 33 0.124 -6.958 2.924
258 HA TYR 33 HA TYR 33 1.078 -4.364 1.819
259 1HB TYR 33 HB2 TYR 33 -1.115 -6.279 0.954
260 2HB TYR 33 HB3 TYR 33 -0.802 -4.759 0.157
261 HD1 TYR 33 HD1 TYR 33 2.402 -5.333 0.939
262 HD2 TYR 33 HD2 TYR 33 -0.676 -7.262 -1.338
263 HE1 TYR 33 HE1 TYR 33 4.120 -6.470 -0.417
264 HE2 TYR 33 HE2 TYR 33 1.046 -8.413 -2.698
265 HH TYR 33 HH TYR 33 3.285 -8.970 -2.727
266 H GLU 34 HN GLU 34 -1.632 -5.734 3.638
267 HA GLU 34 HA GLU 34 -3.019 -3.164 3.751
268 1HB GLU 34 HB3 GLU 34 -3.311 -5.710 5.373
269 2HB GLU 34 HB2 GLU 34 -4.331 -4.288 5.599
270 1HG GLU 34 HG3 GLU 34 -4.112 -6.054 3.154
271 2HG GLU 34 HG2 GLU 34 -5.545 -5.712 4.122
272 H LYS 35 HN LYS 35 -0.142 -4.155 4.903
273 HA LYS 35 HA LYS 35 -0.296 -2.589 7.412
274 1HB LYS 35 HB3 LYS 35 0.621 -4.438 8.329
275 2HB LYS 35 HB2 LYS 35 0.514 -5.228 6.788
276 1HG LYS 35 HG2 LYS 35 2.786 -5.364 7.729
277 2HG LYS 35 HG3 LYS 35 2.750 -4.534 6.186
278 1HD LYS 35 HD2 LYS 35 4.081 -3.571 8.279
279 2HD LYS 35 HD3 LYS 35 3.323 -2.527 7.088
280 1HE LYS 35 HE3 LYS 35 1.396 -2.188 8.524
281 2HE LYS 35 HE2 LYS 35 1.964 -3.414 9.656
282 1HZ LYS 35 HZ1 LYS 35 2.551 -0.699 9.652
283 2HZ LYS 35 HZ2 LYS 35 3.172 -1.897 10.684
284 3HZ LYS 35 HZ3 LYS 35 3.988 -1.502 9.247
285 H LYS 36 HN LYS 36 1.410 -3.211 4.456
286 HA LYS 36 HA LYS 36 3.480 -1.140 4.917
287 1HB LYS 36 HB2 LYS 36 2.779 -3.003 2.650
288 2HB LYS 36 HB3 LYS 36 3.888 -1.658 2.402
289 1HG LYS 36 HG2 LYS 36 4.298 -3.619 4.666
290 2HG LYS 36 HG3 LYS 36 4.937 -3.932 3.051
291 1HD LYS 36 HD2 LYS 36 5.895 -1.492 3.266
292 2HD LYS 36 HD3 LYS 36 5.696 -1.778 4.996
293 1HE LYS 36 HE3 LYS 36 7.966 -2.423 4.111
294 2HE LYS 36 HE2 LYS 36 7.104 -3.744 4.898
295 1HZ LYS 36 HZ1 LYS 36 8.153 -3.793 2.390
296 2HZ LYS 36 HZ2 LYS 36 7.004 -4.880 3.006
297 3HZ LYS 36 HZ3 LYS 36 6.502 -3.530 2.107
298 H ILE 37 HN ILE 37 0.757 -0.441 5.020
299 HA ILE 37 HA ILE 37 0.609 1.445 2.774
300 HB ILE 37 HB ILE 37 -0.528 -0.842 2.440
301 1HG1 ILE 37 HG1 ILE 37 -1.036 1.493 1.290
302 2HG1 ILE 37 HG1 ILE 37 -2.155 0.158 1.042
303 1HG2 ILE 37 HG2 ILE 37 -1.688 -1.326 4.408
304 2HG2 ILE 37 HG2 ILE 37 -2.256 0.338 4.607
305 3HG2 ILE 37 HG2 ILE 37 -2.973 -0.688 3.379
306 1HD1 ILE 37 HD1 ILE 37 -2.819 2.693 2.009
307 2HD1 ILE 37 HD1 ILE 37 -3.832 1.252 2.107
308 3HD1 ILE 37 HD1 ILE 37 -2.791 1.688 3.459
309 H PHE 38 HN PHE 38 0.756 1.096 6.019
310 HA PHE 38 HA PHE 38 -1.221 3.269 6.586
311 1HB PHE 38 HB2 PHE 38 -1.160 1.093 8.024
312 2HB PHE 38 HB3 PHE 38 0.345 1.725 8.669
313 HD1 PHE 38 HD1 PHE 38 0.383 3.536 10.229
314 HD2 PHE 38 HD2 PHE 38 -3.309 2.414 8.347
315 HE1 PHE 38 HE1 PHE 38 -0.863 4.983 11.804
316 HE2 PHE 38 HE2 PHE 38 -4.551 3.863 9.917
317 HZ PHE 38 HZ PHE 38 -3.330 5.148 11.649
318 H GLU 39 HN GLU 39 2.131 2.314 7.524
319 HA GLU 39 HA GLU 39 2.854 4.941 8.380
320 1HB GLU 39 HB3 GLU 39 4.699 2.810 7.272
321 2HB GLU 39 HB2 GLU 39 5.178 4.181 8.257
322 1HG GLU 39 HG2 GLU 39 3.790 1.659 9.021
323 2HG GLU 39 HG3 GLU 39 5.050 2.582 9.892
324 H TYR 40 HN TYR 40 2.787 3.372 5.310
325 HA TYR 40 HA TYR 40 4.477 4.917 3.729
326 1HB TYR 40 HB2 TYR 40 3.097 3.003 2.914
327 2HB TYR 40 HB3 TYR 40 1.681 4.051 2.938
328 HD1 TYR 40 HD1 TYR 40 1.355 5.763 1.273
329 HD2 TYR 40 HD2 TYR 40 4.978 3.459 1.358
330 HE1 TYR 40 HE1 TYR 40 1.967 6.646 -0.960
331 HE2 TYR 40 HE2 TYR 40 5.590 4.340 -0.878
332 HH TYR 40 HH TYR 40 4.903 5.530 -2.635
333 H GLU 41 HN GLU 41 1.611 6.003 5.368
334 HA GLU 41 HA GLU 41 1.819 8.597 3.882
335 1HB GLU 41 HB3 GLU 41 -0.535 6.981 4.765
336 2HB GLU 41 HB2 GLU 41 -0.678 8.739 4.826
337 1HG GLU 41 HG2 GLU 41 0.510 7.839 2.294
338 2HG GLU 41 HG3 GLU 41 -1.050 7.132 2.589
339 H THR 42 HN THR 42 0.698 7.264 7.047
340 HA THR 42 HA THR 42 0.827 9.789 8.399
341 HB THR 42 HB THR 42 1.003 6.966 9.492
342 HG1 THR 42 HG1 THR 42 -1.163 7.201 9.772
343 1HG2 THR 42 HG2 THR 42 1.555 7.960 11.437
344 2HG2 THR 42 HG2 THR 42 1.305 9.569 10.759
345 3HG2 THR 42 HG2 THR 42 -0.058 8.672 11.429
346 H GLN 43 HN GLN 43 3.303 7.852 7.227
347 HA GLN 43 HA GLN 43 5.291 9.156 9.055
348 1HB GLN 43 HB2 GLN 43 5.551 6.458 7.675
349 2HB GLN 43 HB3 GLN 43 6.701 7.168 8.795
350 1HG GLN 43 HG3 GLN 43 3.875 6.803 9.778
351 2HG GLN 43 HG2 GLN 43 4.858 5.341 9.572
352 1HE2 GLN 43 HE2 GLN 43 7.068 7.998 10.347
353 2HE2 GLN 43 HE2 GLN 43 7.109 7.693 12.016
354 H ARG 44 HN ARG 44 4.579 10.603 7.069
355 HA ARG 44 HA ARG 44 5.810 11.887 5.419
356 1HB ARG 44 HB2 ARG 44 7.153 9.279 4.630
357 2HB ARG 44 HB3 ARG 44 7.587 10.909 4.120
358 1HG ARG 44 HG2 ARG 44 7.514 10.514 7.044
359 2HG ARG 44 HG3 ARG 44 8.763 9.596 6.208
360 1HD ARG 44 HD2 ARG 44 9.767 11.697 6.731
361 2HD ARG 44 HD3 ARG 44 9.368 11.775 5.008
362 HE ARG 44 HE ARG 44 7.117 12.821 6.485
363 1HH1 ARG 44 HH1 ARG 44 9.874 13.657 4.727
364 2HH1 ARG 44 HH1 ARG 44 9.944 15.295 5.286
365 1HH2 ARG 44 HH2 ARG 44 7.450 14.871 7.659
366 2HH2 ARG 44 HH2 ARG 44 8.572 15.982 6.946
367 H ARG 45 HN ARG 45 6.164 9.559 3.044
368 HA ARG 45 HA ARG 45 3.365 9.089 2.433
369 1HB ARG 45 HB2 ARG 45 3.418 11.409 1.781
370 2HB ARG 45 HB3 ARG 45 4.947 11.210 0.955
371 1HG ARG 45 HG2 ARG 45 3.827 9.563 -0.569
372 2HG ARG 45 HG3 ARG 45 2.292 9.991 0.182
373 1HD ARG 45 HD2 ARG 45 4.106 11.714 -1.511
374 2HD ARG 45 HD3 ARG 45 2.391 11.356 -1.747
375 HE ARG 45 HE ARG 45 2.562 12.692 0.743
376 1HH1 ARG 45 HH2 ARG 45 4.785 14.116 -0.799
377 2HH1 ARG 45 HH2 ARG 45 3.913 15.446 -1.485
378 1HH2 ARG 45 HH1 ARG 45 0.795 14.042 -0.911
379 2HH2 ARG 45 HH1 ARG 45 1.654 15.403 -1.548
380 H ARG 46 HN ARG 46 6.028 9.853 0.156
381 HA ARG 46 HA ARG 46 6.258 6.914 -0.385
382 1HB ARG 46 HB3 ARG 46 6.626 7.494 -2.781
383 2HB ARG 46 HB2 ARG 46 5.020 7.956 -2.220
384 1HG ARG 46 HG2 ARG 46 5.938 10.274 -1.790
385 2HG ARG 46 HG3 ARG 46 7.420 9.766 -2.598
386 1HD ARG 46 HD2 ARG 46 4.633 9.757 -3.812
387 2HD ARG 46 HD3 ARG 46 5.919 10.918 -4.179
388 HE ARG 46 HE ARG 46 6.967 8.268 -4.664
389 1HH1 ARG 46 HH2 ARG 46 3.916 8.991 -5.649
390 2HH1 ARG 46 HH2 ARG 46 4.250 9.068 -7.346
391 1HH2 ARG 46 HH1 ARG 46 7.693 9.024 -6.939
392 2HH2 ARG 46 HH1 ARG 46 6.389 9.086 -8.077
393 H LEU 47 HN LEU 47 7.875 10.070 -0.822
394 HA LEU 47 HA LEU 47 10.173 10.623 -0.731
395 1HB LEU 47 HB2 LEU 47 10.142 8.177 1.079
396 2HB LEU 47 HB3 LEU 47 11.499 9.294 0.937
397 HG LEU 47 HG LEU 47 8.712 10.229 1.659
398 1HD1 LEU 47 HD1 LEU 47 10.975 9.499 3.555
399 2HD1 LEU 47 HD1 LEU 47 9.403 10.150 4.017
400 3HD1 LEU 47 HD1 LEU 47 9.519 8.533 3.320
401 1HD2 LEU 47 HD2 LEU 47 11.045 11.638 2.719
402 2HD2 LEU 47 HD2 LEU 47 11.049 11.569 0.957
403 3HD2 LEU 47 HD2 LEU 47 9.672 12.270 1.809
404 H SER 48 HN SER 48 9.071 8.586 -2.713
405 HA SER 48 HA SER 48 11.712 7.388 -3.412
406 1HB SER 48 HB2 SER 48 10.241 5.593 -4.578
407 2HB SER 48 HB3 SER 48 10.420 5.507 -2.826
408 HG SER 48 HG SER 48 8.430 6.365 -2.563
409 HA PRO 49 HA PRO 49 10.134 10.064 -6.850
410 1HB PRO 49 HB3 PRO 49 12.365 11.671 -6.965
411 2HB PRO 49 HB2 PRO 49 10.943 12.025 -5.954
412 1HG PRO 49 HG2 PRO 49 13.637 10.996 -5.154
413 2HG PRO 49 HG3 PRO 49 12.476 11.947 -4.213
414 1HD PRO 49 HD3 PRO 49 12.903 9.139 -3.995
415 2HD PRO 49 HD2 PRO 49 11.525 10.030 -3.312
416 HA PRO 50 HA PRO 50 12.823 7.290 -9.233
417 1HB PRO 50 HB2 PRO 50 11.118 7.144 -11.387
418 2HB PRO 50 HB3 PRO 50 10.955 6.140 -9.938
419 1HG PRO 50 HG2 PRO 50 9.355 8.524 -10.779
420 2HG PRO 50 HG3 PRO 50 8.860 7.131 -9.804
421 1HD PRO 50 HD3 PRO 50 9.538 9.691 -8.803
422 2HD PRO 50 HD2 PRO 50 9.440 8.205 -7.832
423 H SER 51 HN SER 51 10.919 9.562 -11.269
424 HA SER 51 HA SER 51 13.551 10.660 -12.267
425 1HB SER 51 HB2 SER 51 12.036 11.169 -14.366
426 2HB SER 51 HB3 SER 51 12.712 9.554 -14.146
427 HG SER 51 HG SER 51 10.224 10.204 -13.026
428 H SER 52 HN SER 52 12.306 11.811 -10.050
429 HA SER 52 HA SER 52 11.097 14.290 -11.216
430 1HB SER 52 HB2 SER 52 9.925 12.636 -9.383
431 2HB SER 52 HB3 SER 52 10.738 13.789 -8.325
432 HG SER 52 HG SER 52 9.217 14.641 -10.536
433 H SER 53 HN SER 53 13.177 13.055 -8.587
434 HA SER 53 HA SER 53 14.121 15.599 -7.709
435 1HB SER 53 HB2 SER 53 15.024 12.774 -7.454
436 2HB SER 53 HB3 SER 53 16.238 14.020 -7.160
437 HG SER 53 HG SER 53 13.714 14.322 -6.010
Start of MODEL 3
1 2H ASP 1 HN2 ASP 1 -7.636 3.169 10.202
2 3H ASP 1 HN3 ASP 1 -6.327 3.318 9.130
3 H ASP 1 HN ASP 1 -7.374 1.989 9.007
4 HA ASP 1 HA ASP 1 -8.553 4.653 8.776
5 1HB ASP 1 HB2 ASP 1 -6.663 4.968 7.342
6 2HB ASP 1 HB3 ASP 1 -6.794 3.331 6.699
7 H ASN 2 HN ASN 2 -8.309 2.119 6.332
8 HA ASN 2 HA ASN 2 -10.970 1.064 7.142
9 1HB ASN 2 HB3 ASN 2 -11.601 1.198 4.612
10 2HB ASN 2 HB2 ASN 2 -11.674 2.730 5.509
11 1HD2 ASN 2 HD2 ASN 2 -9.008 0.827 3.814
12 2HD2 ASN 2 HD2 ASN 2 -8.398 2.197 3.022
13 H TYR 3 HN TYR 3 -8.520 -0.236 7.441
14 HA TYR 3 HA TYR 3 -8.157 -2.021 5.124
15 1HB TYR 3 HB2 TYR 3 -6.919 -2.665 7.767
16 2HB TYR 3 HB3 TYR 3 -6.204 -2.728 6.162
17 HD1 TYR 3 HD1 TYR 3 -5.637 -1.252 9.099
18 HD2 TYR 3 HD2 TYR 3 -6.545 -0.036 5.071
19 HE1 TYR 3 HE1 TYR 3 -4.593 0.949 9.518
20 HE2 TYR 3 HE2 TYR 3 -5.502 2.155 5.501
21 HH TYR 3 HH TYR 3 -4.739 3.544 7.128
22 H ALA 4 HN ALA 4 -10.690 -1.884 6.903
23 HA ALA 4 HA ALA 4 -10.871 -4.839 7.279
24 1HB ALA 4 HB1 ALA 4 -10.832 -3.142 9.390
25 2HB ALA 4 HB2 ALA 4 -12.553 -3.104 9.013
26 3HB ALA 4 HB3 ALA 4 -11.766 -4.638 9.384
27 H ASP 5 HN ASP 5 -11.726 -2.622 5.245
28 HA ASP 5 HA ASP 5 -14.517 -3.645 4.950
29 1HB ASP 5 HB2 ASP 5 -14.380 -1.252 5.896
30 2HB ASP 5 HB3 ASP 5 -13.731 -0.785 4.323
31 H LEU 6 HN LEU 6 -12.088 -1.632 3.250
32 HA LEU 6 HA LEU 6 -12.849 -2.068 0.603
33 1HB LEU 6 HB2 LEU 6 -10.446 -1.659 0.026
34 2HB LEU 6 HB3 LEU 6 -10.862 -0.677 1.422
35 HG LEU 6 HG LEU 6 -10.021 -2.582 2.827
36 1HD1 LEU 6 HD1 LEU 6 -9.303 -4.460 1.878
37 2HD1 LEU 6 HD1 LEU 6 -9.670 -3.790 0.295
38 3HD1 LEU 6 HD1 LEU 6 -8.079 -3.539 1.009
39 1HD2 LEU 6 HD2 LEU 6 -8.479 -0.921 2.989
40 2HD2 LEU 6 HD2 LEU 6 -7.541 -1.873 1.839
41 3HD2 LEU 6 HD2 LEU 6 -8.584 -0.574 1.263
42 H SER 7 HN SER 7 -11.774 -3.591 -0.979
43 HA SER 7 HA SER 7 -11.492 -6.342 0.149
44 1HB SER 7 HB2 SER 7 -13.659 -5.553 -1.294
45 2HB SER 7 HB3 SER 7 -12.550 -5.956 -2.637
46 HG SER 7 HG SER 7 -12.947 -7.958 -2.231
47 H ASP 8 HN ASP 8 -10.781 -7.629 -2.261
48 HA ASP 8 HA ASP 8 -8.016 -7.149 -2.387
49 1HB ASP 8 HB3 ASP 8 -8.094 -8.411 -4.582
50 2HB ASP 8 HB2 ASP 8 -8.807 -9.221 -3.195
51 H THR 9 HN THR 9 -10.388 -6.185 -4.938
52 HA THR 9 HA THR 9 -8.762 -4.859 -6.677
53 HB THR 9 HB THR 9 -11.436 -3.893 -5.628
54 HG1 THR 9 HG1 THR 9 -11.417 -5.813 -6.833
55 1HG2 THR 9 HG2 THR 9 -9.958 -2.016 -6.561
56 2HG2 THR 9 HG2 THR 9 -9.987 -2.886 -8.095
57 3HG2 THR 9 HG2 THR 9 -11.487 -2.270 -7.406
58 H GLU 10 HN GLU 10 -10.173 -3.153 -3.838
59 HA GLU 10 HA GLU 10 -8.587 -0.833 -4.075
60 1HB GLU 10 HB3 GLU 10 -9.450 -2.066 -1.454
61 2HB GLU 10 HB2 GLU 10 -9.080 -0.367 -1.769
62 1HG GLU 10 HG2 GLU 10 -10.939 -0.352 -3.465
63 2HG GLU 10 HG3 GLU 10 -11.353 -1.980 -2.937
64 H LEU 11 HN LEU 11 -7.817 -3.901 -2.451
65 HA LEU 11 HA LEU 11 -5.437 -3.086 -1.170
66 1HB LEU 11 HB2 LEU 11 -6.345 -5.403 -0.987
67 2HB LEU 11 HB3 LEU 11 -5.835 -5.703 -2.652
68 HG LEU 11 HG LEU 11 -3.759 -4.558 -0.898
69 1HD1 LEU 11 HD2 LEU 11 -5.331 -6.761 0.028
70 2HD1 LEU 11 HD2 LEU 11 -3.766 -7.398 -0.469
71 3HD1 LEU 11 HD2 LEU 11 -3.853 -6.121 0.741
72 1HD2 LEU 11 HD1 LEU 11 -2.710 -5.225 -2.765
73 2HD2 LEU 11 HD1 LEU 11 -2.798 -6.829 -2.071
74 3HD2 LEU 11 HD1 LEU 11 -4.016 -6.314 -3.225
75 H THR 12 HN THR 12 -5.904 -4.337 -4.434
76 HA THR 12 HA THR 12 -3.194 -3.777 -5.282
77 HB THR 12 HB THR 12 -5.401 -4.025 -7.281
78 HG1 THR 12 HG1 THR 12 -4.627 -6.315 -5.874
79 1HG2 THR 12 HG2 THR 12 -2.768 -5.456 -6.790
80 2HG2 THR 12 HG2 THR 12 -3.790 -5.671 -8.214
81 3HG2 THR 12 HG2 THR 12 -3.013 -4.116 -7.912
82 H THR 13 HN THR 13 -6.166 -1.968 -5.104
83 HA THR 13 HA THR 13 -5.188 0.130 -6.915
84 HB THR 13 HB THR 13 -7.342 0.855 -5.044
85 HG1 THR 13 HG1 THR 13 -8.825 -0.526 -6.268
86 1HG2 THR 13 HG2 THR 13 -8.384 1.080 -7.514
87 2HG2 THR 13 HG2 THR 13 -7.293 2.293 -6.816
88 3HG2 THR 13 HG2 THR 13 -6.665 1.070 -7.923
89 H LEU 14 HN LEU 14 -4.494 -0.947 -3.855
90 HA LEU 14 HA LEU 14 -3.656 1.733 -2.914
91 1HB LEU 14 HB3 LEU 14 -4.469 -0.724 -1.338
92 2HB LEU 14 HB2 LEU 14 -3.782 0.719 -0.611
93 HG LEU 14 HG LEU 14 -6.329 0.684 -2.277
94 1HD1 LEU 14 HD2 LEU 14 -7.420 1.064 -0.005
95 2HD1 LEU 14 HD2 LEU 14 -6.788 -0.560 -0.282
96 3HD1 LEU 14 HD2 LEU 14 -5.884 0.580 0.714
97 1HD2 LEU 14 HD1 LEU 14 -5.515 2.841 -0.328
98 2HD2 LEU 14 HD1 LEU 14 -4.935 2.879 -1.995
99 3HD2 LEU 14 HD1 LEU 14 -6.662 2.926 -1.662
100 H LEU 15 HN LEU 15 -2.739 -1.303 -4.043
101 HA LEU 15 HA LEU 15 -0.006 -1.119 -2.878
102 1HB LEU 15 HB3 LEU 15 -1.888 -3.328 -3.319
103 2HB LEU 15 HB2 LEU 15 -0.274 -3.736 -3.929
104 HG LEU 15 HG LEU 15 -0.446 -4.327 -1.615
105 1HD1 LEU 15 HD2 LEU 15 1.758 -3.840 -1.902
106 2HD1 LEU 15 HD2 LEU 15 1.381 -2.366 -2.771
107 3HD1 LEU 15 HD2 LEU 15 1.405 -2.365 -1.008
108 1HD2 LEU 15 HD1 LEU 15 -1.972 -2.829 -0.570
109 2HD2 LEU 15 HD1 LEU 15 -0.409 -2.249 0.002
110 3HD2 LEU 15 HD1 LEU 15 -1.218 -1.418 -1.321
111 H ARG 16 HN ARG 16 -1.913 -0.615 -5.540
112 HA ARG 16 HA ARG 16 0.394 -0.770 -7.450
113 1HB ARG 16 HB2 ARG 16 -1.792 -2.214 -7.775
114 2HB ARG 16 HB3 ARG 16 -2.513 -0.695 -8.274
115 1HG ARG 16 HG2 ARG 16 0.110 -1.269 -9.521
116 2HG ARG 16 HG3 ARG 16 -1.186 -2.374 -9.974
117 1HD ARG 16 HD2 ARG 16 -1.819 0.547 -9.949
118 2HD ARG 16 HD3 ARG 16 -0.799 -0.054 -11.257
119 HE ARG 16 HE ARG 16 -2.806 -1.834 -11.397
120 1HH1 ARG 16 HH1 ARG 16 -2.526 1.174 -12.572
121 2HH1 ARG 16 HH1 ARG 16 -4.207 1.590 -12.552
122 1HH2 ARG 16 HH2 ARG 16 -5.131 -1.140 -10.623
123 2HH2 ARG 16 HH2 ARG 16 -5.682 0.280 -11.448
124 H ARG 17 HN ARG 17 -2.024 1.281 -5.907
125 HA ARG 17 HA ARG 17 -1.765 3.362 -7.958
126 1HB ARG 17 HB2 ARG 17 -3.558 4.400 -6.952
127 2HB ARG 17 HB3 ARG 17 -3.866 2.752 -6.434
128 1HG ARG 17 HG3 ARG 17 -3.912 3.601 -4.335
129 2HG ARG 17 HG2 ARG 17 -2.164 3.713 -4.467
130 1HD ARG 17 HD2 ARG 17 -3.259 5.858 -3.769
131 2HD ARG 17 HD3 ARG 17 -2.302 6.008 -5.245
132 HE ARG 17 HE ARG 17 -5.302 6.028 -5.094
133 1HH1 ARG 17 HH2 ARG 17 -2.625 7.590 -6.299
134 2HH1 ARG 17 HH2 ARG 17 -3.213 7.762 -7.919
135 1HH2 ARG 17 HH1 ARG 17 -5.946 5.685 -7.429
136 2HH2 ARG 17 HH1 ARG 17 -5.094 6.684 -8.558
137 H TYR 18 HN TYR 18 -0.389 2.539 -4.848
138 HA TYR 18 HA TYR 18 0.994 5.168 -4.723
139 1HB TYR 18 HB2 TYR 18 0.681 2.860 -2.814
140 2HB TYR 18 HB3 TYR 18 2.064 3.937 -2.637
141 HD1 TYR 18 HD1 TYR 18 1.253 6.591 -3.010
142 HD2 TYR 18 HD2 TYR 18 -1.070 3.351 -1.436
143 HE1 TYR 18 HE1 TYR 18 -0.207 8.209 -1.831
144 HE2 TYR 18 HE2 TYR 18 -2.536 4.957 -0.254
145 HH TYR 18 HH TYR 18 -3.161 7.529 -0.696
146 H ASN 19 HN ASN 19 1.392 1.858 -5.605
147 HA ASN 19 HA ASN 19 3.094 0.920 -6.929
148 1HB ASN 19 HB3 ASN 19 3.586 3.373 -7.531
149 2HB ASN 19 HB2 ASN 19 4.854 3.284 -6.308
150 1HD2 ASN 19 HD2 ASN 19 4.894 0.196 -7.249
151 2HD2 ASN 19 HD2 ASN 19 5.935 0.269 -8.585
152 H ILE 20 HN ILE 20 2.660 0.437 -4.144
153 HA ILE 20 HA ILE 20 5.269 0.346 -2.778
154 HB ILE 20 HB ILE 20 2.502 -0.924 -2.354
155 1HG1 ILE 20 HG1 ILE 20 3.812 0.605 -0.161
156 2HG1 ILE 20 HG1 ILE 20 3.309 1.556 -1.571
157 1HG2 ILE 20 HG2 ILE 20 3.186 -2.256 -0.602
158 2HG2 ILE 20 HG2 ILE 20 4.594 -2.391 -1.647
159 3HG2 ILE 20 HG2 ILE 20 4.616 -1.288 -0.269
160 1HD1 ILE 20 HD1 ILE 20 1.625 1.027 0.420
161 2HD1 ILE 20 HD1 ILE 20 1.075 1.099 -1.256
162 3HD1 ILE 20 HD1 ILE 20 1.391 -0.462 -0.496
163 HA PRO 21 HA PRO 21 6.761 -3.081 -5.050
164 1HB PRO 21 HB2 PRO 21 8.351 -4.258 -3.089
165 2HB PRO 21 HB3 PRO 21 8.837 -2.868 -4.077
166 1HG PRO 21 HG3 PRO 21 7.814 -2.937 -1.248
167 2HG PRO 21 HG2 PRO 21 9.040 -1.876 -1.965
168 1HD PRO 21 HD2 PRO 21 6.425 -1.074 -1.498
169 2HD PRO 21 HD3 PRO 21 7.398 -0.381 -2.806
170 H HIS 22 HN HIS 22 4.874 -4.209 -5.349
171 HA HIS 22 HA HIS 22 4.318 -6.408 -3.406
172 1HB HIS 22 HB2 HIS 22 1.998 -6.046 -3.511
173 2HB HIS 22 HB3 HIS 22 2.641 -4.410 -3.412
174 HD1 HIS 22 HD1 HIS 22 2.899 -3.148 -5.804
175 HD2 HIS 22 HD2 HIS 22 0.595 -6.610 -5.790
176 HE1 HIS 22 HE1 HIS 22 1.638 -3.162 -7.996
177 H GLY 23 HN GLY 23 3.748 -8.400 -4.415
178 1HA GLY 23 HA1 GLY 23 4.006 -8.414 -7.389
179 2HA GLY 23 HA2 GLY 23 4.446 -9.766 -6.348
180 HA PRO 24 HA PRO 24 0.199 -11.007 -7.095
181 1HB PRO 24 HB2 PRO 24 0.300 -13.329 -5.627
182 2HB PRO 24 HB3 PRO 24 0.968 -13.185 -7.264
183 1HG PRO 24 HG3 PRO 24 2.403 -13.276 -4.640
184 2HG PRO 24 HG2 PRO 24 2.965 -13.785 -6.241
185 1HD PRO 24 HD2 PRO 24 3.644 -11.361 -4.926
186 2HD PRO 24 HD3 PRO 24 3.918 -11.744 -6.645
187 H VAL 25 HN VAL 25 -1.651 -10.495 -5.855
188 HA VAL 25 HA VAL 25 -1.208 -9.785 -3.017
189 HB VAL 25 HB VAL 25 -3.788 -9.661 -4.637
190 1HG1 VAL 25 HG2 VAL 25 -4.222 -9.748 -2.275
191 2HG1 VAL 25 HG2 VAL 25 -2.918 -8.611 -1.935
192 3HG1 VAL 25 HG2 VAL 25 -4.374 -8.064 -2.760
193 1HG2 VAL 25 HG1 VAL 25 -1.924 -8.186 -5.502
194 2HG2 VAL 25 HG1 VAL 25 -3.324 -7.294 -4.922
195 3HG2 VAL 25 HG1 VAL 25 -1.872 -7.397 -3.924
196 H VAL 26 HN VAL 26 -0.853 -11.824 -2.075
197 HA VAL 26 HA VAL 26 -3.187 -13.664 -2.296
198 HB VAL 26 HB VAL 26 -0.718 -14.133 -3.293
199 1HG1 VAL 26 HG2 VAL 26 -0.139 -14.429 -0.661
200 2HG1 VAL 26 HG2 VAL 26 -0.582 -16.077 -1.103
201 3HG1 VAL 26 HG2 VAL 26 0.709 -15.250 -1.963
202 1HG2 VAL 26 HG1 VAL 26 -1.572 -16.639 -2.975
203 2HG2 VAL 26 HG1 VAL 26 -3.045 -15.756 -2.566
204 3HG2 VAL 26 HG1 VAL 26 -2.267 -15.502 -4.134
205 H GLY 27 HN GLY 27 -3.008 -15.389 -0.551
206 1HA GLY 27 HA1 GLY 27 -3.645 -14.240 1.936
207 2HA GLY 27 HA2 GLY 27 -3.197 -15.930 1.734
208 H SER 28 HN SER 28 -0.661 -16.153 1.372
209 HA SER 28 HA SER 28 0.627 -15.492 3.771
210 1HB SER 28 HB2 SER 28 2.778 -15.829 2.362
211 2HB SER 28 HB3 SER 28 1.648 -17.177 2.488
212 HG SER 28 HG SER 28 1.049 -16.902 0.461
213 H THR 29 HN THR 29 -0.062 -13.359 1.156
214 HA THR 29 HA THR 29 1.617 -11.298 2.483
215 HB THR 29 HB THR 29 2.165 -10.478 0.033
216 HG1 THR 29 HG1 THR 29 0.835 -11.769 -1.123
217 1HG2 THR 29 HG2 THR 29 4.029 -12.201 -0.169
218 2HG2 THR 29 HG2 THR 29 3.956 -11.369 1.385
219 3HG2 THR 29 HG2 THR 29 3.330 -13.015 1.230
220 H ARG 30 HN ARG 30 -1.256 -11.773 2.541
221 HA ARG 30 HA ARG 30 -2.436 -9.796 0.743
222 1HB ARG 30 HB2 ARG 30 -3.332 -11.955 2.498
223 2HB ARG 30 HB3 ARG 30 -4.320 -10.509 2.637
224 1HG ARG 30 HG2 ARG 30 -3.594 -11.336 -0.123
225 2HG ARG 30 HG3 ARG 30 -4.725 -12.385 0.734
226 1HD ARG 30 HD2 ARG 30 -6.232 -10.536 1.152
227 2HD ARG 30 HD3 ARG 30 -5.065 -9.368 0.536
228 HE ARG 30 HE ARG 30 -5.442 -11.014 -1.629
229 1HH1 ARG 30 HH1 ARG 30 -6.840 -8.271 -0.620
230 2HH1 ARG 30 HH1 ARG 30 -8.428 -8.575 -1.241
231 1HH2 ARG 30 HH2 ARG 30 -7.808 -11.917 -1.929
232 2HH2 ARG 30 HH2 ARG 30 -8.976 -10.640 -1.982
233 H ARG 31 HN ARG 31 -2.122 -10.232 4.283
234 HA ARG 31 HA ARG 31 -3.114 -7.630 4.950
235 1HB ARG 31 HB2 ARG 31 -3.063 -9.283 6.681
236 2HB ARG 31 HB3 ARG 31 -1.344 -9.583 6.437
237 1HG ARG 31 HG2 ARG 31 -0.896 -8.026 8.004
238 2HG ARG 31 HG3 ARG 31 -1.604 -6.804 6.947
239 1HD ARG 31 HD3 ARG 31 -2.625 -7.034 9.299
240 2HD ARG 31 HD2 ARG 31 -3.748 -7.021 7.931
241 HE ARG 31 HE ARG 31 -3.013 -9.761 8.494
242 1HH1 ARG 31 HH2 ARG 31 -5.831 -8.879 8.113
243 2HH1 ARG 31 HH2 ARG 31 -6.502 -9.063 9.698
244 1HH2 ARG 31 HH1 ARG 31 -3.419 -9.214 11.276
245 2HH2 ARG 31 HH1 ARG 31 -5.137 -9.253 11.489
246 H LEU 32 HN LEU 32 0.220 -8.855 4.584
247 HA LEU 32 HA LEU 32 1.704 -6.667 5.309
248 1HB LEU 32 HB3 LEU 32 2.872 -8.594 4.456
249 2HB LEU 32 HB2 LEU 32 2.055 -8.486 2.899
250 HG LEU 32 HG LEU 32 3.213 -6.155 2.658
251 1HD1 LEU 32 HD1 LEU 32 4.001 -6.824 5.284
252 2HD1 LEU 32 HD1 LEU 32 5.441 -7.096 4.304
253 3HD1 LEU 32 HD1 LEU 32 4.662 -5.515 4.305
254 1HD2 LEU 32 HD2 LEU 32 3.925 -7.952 1.276
255 2HD2 LEU 32 HD2 LEU 32 5.382 -7.272 2.003
256 3HD2 LEU 32 HD2 LEU 32 4.706 -8.779 2.625
257 H TYR 33 HN TYR 33 -0.437 -6.931 2.548
258 HA TYR 33 HA TYR 33 0.594 -4.424 1.392
259 1HB TYR 33 HB2 TYR 33 -1.570 -6.358 0.538
260 2HB TYR 33 HB3 TYR 33 -1.258 -4.854 -0.317
261 HD1 TYR 33 HD1 TYR 33 -0.765 -8.111 -0.819
262 HD2 TYR 33 HD2 TYR 33 1.668 -4.625 -0.219
263 HE1 TYR 33 HE1 TYR 33 1.104 -9.200 -2.024
264 HE2 TYR 33 HE2 TYR 33 3.540 -5.731 -1.387
265 HH TYR 33 HH TYR 33 3.239 -9.062 -2.598
266 H GLU 34 HN GLU 34 -2.329 -5.594 3.042
267 HA GLU 34 HA GLU 34 -3.564 -2.966 2.981
268 1HB GLU 34 HB3 GLU 34 -4.216 -5.633 3.968
269 2HB GLU 34 HB2 GLU 34 -4.667 -4.377 5.119
270 1HG GLU 34 HG2 GLU 34 -5.482 -4.595 2.220
271 2HG GLU 34 HG3 GLU 34 -6.536 -4.688 3.628
272 H LYS 35 HN LYS 35 -0.871 -4.103 4.438
273 HA LYS 35 HA LYS 35 -1.167 -2.441 6.892
274 1HB LYS 35 HB3 LYS 35 -0.813 -4.627 7.606
275 2HB LYS 35 HB2 LYS 35 0.103 -5.037 6.175
276 1HG LYS 35 HG3 LYS 35 1.569 -3.040 7.675
277 2HG LYS 35 HG2 LYS 35 1.115 -4.359 8.752
278 1HD LYS 35 HD3 LYS 35 1.969 -5.954 6.971
279 2HD LYS 35 HD2 LYS 35 2.631 -4.550 6.135
280 1HE LYS 35 HE2 LYS 35 3.552 -5.898 8.613
281 2HE LYS 35 HE3 LYS 35 4.479 -5.010 7.404
282 1HZ LYS 35 HZ1 LYS 35 2.799 -3.844 9.554
283 2HZ LYS 35 HZ2 LYS 35 4.493 -3.793 9.445
284 3HZ LYS 35 HZ3 LYS 35 3.541 -2.941 8.325
285 H LYS 36 HN LYS 36 0.693 -3.195 4.065
286 HA LYS 36 HA LYS 36 2.944 -1.346 4.703
287 1HB LYS 36 HB2 LYS 36 2.171 -3.000 2.279
288 2HB LYS 36 HB3 LYS 36 3.454 -1.799 2.194
289 1HG LYS 36 HG2 LYS 36 3.446 -4.107 4.166
290 2HG LYS 36 HG3 LYS 36 4.262 -4.150 2.614
291 1HD LYS 36 HD2 LYS 36 5.020 -1.710 3.873
292 2HD LYS 36 HD3 LYS 36 5.177 -2.981 5.083
293 1HE LYS 36 HE2 LYS 36 6.466 -2.905 2.334
294 2HE LYS 36 HE3 LYS 36 7.277 -2.803 3.894
295 1HZ LYS 36 HZ1 LYS 36 5.783 -5.145 2.850
296 2HZ LYS 36 HZ2 LYS 36 7.465 -5.019 3.042
297 3HZ LYS 36 HZ3 LYS 36 6.452 -5.039 4.404
298 H ILE 37 HN ILE 37 0.153 -0.525 4.580
299 HA ILE 37 HA ILE 37 0.328 1.506 2.453
300 HB ILE 37 HB ILE 37 -0.889 -0.775 2.000
301 1HG1 ILE 37 HG1 ILE 37 -0.912 1.283 0.557
302 2HG1 ILE 37 HG1 ILE 37 -2.406 0.360 0.470
303 1HG2 ILE 37 HG2 ILE 37 -3.411 -0.409 2.530
304 2HG2 ILE 37 HG2 ILE 37 -2.376 -1.029 3.821
305 3HG2 ILE 37 HG2 ILE 37 -2.852 0.679 3.792
306 1HD1 ILE 37 HD1 ILE 37 -1.883 2.997 1.810
307 2HD1 ILE 37 HD1 ILE 37 -3.224 2.531 0.765
308 3HD1 ILE 37 HD1 ILE 37 -3.162 1.953 2.431
309 H PHE 38 HN PHE 38 0.041 0.965 5.674
310 HA PHE 38 HA PHE 38 -1.856 3.237 6.036
311 1HB PHE 38 HB2 PHE 38 -2.393 2.470 8.230
312 2HB PHE 38 HB3 PHE 38 -2.463 1.054 7.187
313 HD1 PHE 38 HD1 PHE 38 -2.054 1.428 10.280
314 HD2 PHE 38 HD2 PHE 38 0.574 0.611 6.987
315 HE1 PHE 38 HE1 PHE 38 -0.484 0.265 11.817
316 HE2 PHE 38 HE2 PHE 38 2.144 -0.547 8.517
317 HZ PHE 38 HZ PHE 38 1.613 -0.722 10.935
318 H GLU 39 HN GLU 39 1.438 2.179 6.838
319 HA GLU 39 HA GLU 39 1.814 4.667 8.377
320 1HB GLU 39 HB3 GLU 39 3.564 2.241 7.906
321 2HB GLU 39 HB2 GLU 39 4.212 3.729 8.613
322 1HG GLU 39 HG3 GLU 39 3.020 3.482 10.559
323 2HG GLU 39 HG2 GLU 39 1.659 2.741 9.696
324 H TYR 40 HN TYR 40 2.615 3.160 5.384
325 HA TYR 40 HA TYR 40 4.641 4.838 4.365
326 1HB TYR 40 HB3 TYR 40 3.517 2.831 3.235
327 2HB TYR 40 HB2 TYR 40 2.215 3.923 2.790
328 HD1 TYR 40 HD1 TYR 40 5.955 3.611 2.572
329 HD2 TYR 40 HD2 TYR 40 2.344 5.138 0.811
330 HE1 TYR 40 HE1 TYR 40 7.240 4.379 0.596
331 HE2 TYR 40 HE2 TYR 40 3.629 5.904 -1.166
332 HH TYR 40 HH TYR 40 5.652 6.146 -2.060
333 H GLU 41 HN GLU 41 1.256 5.317 4.868
334 HA GLU 41 HA GLU 41 1.346 8.074 3.724
335 1HB GLU 41 HB3 GLU 41 -0.745 5.990 4.191
336 2HB GLU 41 HB2 GLU 41 -1.251 7.682 4.327
337 1HG GLU 41 HG3 GLU 41 0.460 7.259 2.005
338 2HG GLU 41 HG2 GLU 41 -0.974 6.234 1.954
339 H THR 42 HN THR 42 0.215 6.307 6.609
340 HA THR 42 HA THR 42 -0.420 8.667 8.140
341 HB THR 42 HB THR 42 0.134 5.859 9.136
342 HG1 THR 42 HG1 THR 42 -2.369 6.970 8.468
343 1HG2 THR 42 HG2 THR 42 0.007 7.569 10.901
344 2HG2 THR 42 HG2 THR 42 -1.545 8.112 10.264
345 3HG2 THR 42 HG2 THR 42 -1.391 6.495 10.956
346 H GLN 43 HN GLN 43 2.541 7.635 7.175
347 HA GLN 43 HA GLN 43 3.856 8.829 9.569
348 1HB GLN 43 HB3 GLN 43 4.880 6.474 7.957
349 2HB GLN 43 HB2 GLN 43 5.711 7.239 9.308
350 1HG GLN 43 HG2 GLN 43 2.949 5.988 9.549
351 2HG GLN 43 HG3 GLN 43 4.441 5.100 9.880
352 1HE2 GLN 43 HE2 GLN 43 5.145 8.369 10.844
353 2HE2 GLN 43 HE2 GLN 43 4.675 8.201 12.468
354 H ARG 44 HN ARG 44 3.145 10.313 7.411
355 HA ARG 44 HA ARG 44 4.197 11.956 6.019
356 1HB ARG 44 HB2 ARG 44 6.768 10.366 6.177
357 2HB ARG 44 HB3 ARG 44 6.556 12.093 5.888
358 1HG ARG 44 HG2 ARG 44 6.442 12.577 8.098
359 2HG ARG 44 HG3 ARG 44 5.433 11.177 8.452
360 1HD ARG 44 HD2 ARG 44 7.554 10.851 9.574
361 2HD ARG 44 HD3 ARG 44 7.492 9.729 8.206
362 HE ARG 44 HE ARG 44 8.741 12.168 7.293
363 1HH1 ARG 44 HH2 ARG 44 9.815 9.308 7.084
364 2HH1 ARG 44 HH2 ARG 44 11.280 9.436 8.001
365 1HH2 ARG 44 HH1 ARG 44 10.383 12.423 9.517
366 2HH2 ARG 44 HH1 ARG 44 11.600 11.199 9.378
367 H ARG 45 HN ARG 45 6.437 10.780 4.162
368 HA ARG 45 HA ARG 45 5.315 8.562 2.769
369 1HB ARG 45 HB2 ARG 45 3.493 10.010 2.213
370 2HB ARG 45 HB3 ARG 45 4.554 11.344 1.827
371 1HG ARG 45 HG3 ARG 45 5.441 10.156 -0.085
372 2HG ARG 45 HG2 ARG 45 4.529 8.713 0.339
373 1HD ARG 45 HD2 ARG 45 3.432 11.384 -0.595
374 2HD ARG 45 HD3 ARG 45 3.301 9.825 -1.416
375 HE ARG 45 HE ARG 45 2.081 9.479 1.120
376 1HH1 ARG 45 HH1 ARG 45 1.135 9.730 -1.974
377 2HH1 ARG 45 HH1 ARG 45 -0.314 10.638 -1.701
378 1HH2 ARG 45 HH2 ARG 45 0.461 11.391 1.594
379 2HH2 ARG 45 HH2 ARG 45 -0.697 11.578 0.318
380 H ARG 46 HN ARG 46 6.363 11.571 1.133
381 HA ARG 46 HA ARG 46 8.959 10.184 0.539
382 1HB ARG 46 HB2 ARG 46 7.466 12.237 -1.129
383 2HB ARG 46 HB3 ARG 46 8.994 11.473 -1.566
384 1HG ARG 46 HG2 ARG 46 6.991 9.483 -0.856
385 2HG ARG 46 HG3 ARG 46 6.420 10.526 -2.158
386 1HD ARG 46 HD2 ARG 46 7.582 8.861 -3.337
387 2HD ARG 46 HD3 ARG 46 8.802 10.136 -3.180
388 HE ARG 46 HE ARG 46 9.029 8.387 -0.881
389 1HH1 ARG 46 HH1 ARG 46 10.603 9.253 -3.664
390 2HH1 ARG 46 HH1 ARG 46 11.363 7.722 -3.951
391 1HH2 ARG 46 HH2 ARG 46 9.514 6.054 -1.538
392 2HH2 ARG 46 HH2 ARG 46 10.746 5.912 -2.747
393 H LEU 47 HN LEU 47 7.904 13.557 0.124
394 HA LEU 47 HA LEU 47 8.690 15.531 1.193
395 1HB LEU 47 HB2 LEU 47 10.630 13.820 2.775
396 2HB LEU 47 HB3 LEU 47 9.975 15.397 3.208
397 HG LEU 47 HG LEU 47 7.861 13.431 2.760
398 1HD1 LEU 47 HD2 LEU 47 8.476 11.721 4.120
399 2HD1 LEU 47 HD2 LEU 47 10.124 12.303 3.877
400 3HD1 LEU 47 HD2 LEU 47 9.210 12.810 5.298
401 1HD2 LEU 47 HD1 LEU 47 7.257 14.238 5.085
402 2HD2 LEU 47 HD1 LEU 47 8.737 15.196 5.072
403 3HD2 LEU 47 HD1 LEU 47 7.458 15.537 3.907
404 H SER 48 HN SER 48 10.454 13.263 -0.567
405 HA SER 48 HA SER 48 12.068 15.195 -1.868
406 1HB SER 48 HB2 SER 48 14.169 13.740 -0.627
407 2HB SER 48 HB3 SER 48 13.824 15.463 -0.480
408 HG SER 48 HG SER 48 13.572 13.576 1.358
409 HA PRO 49 HA PRO 49 12.868 11.737 -4.464
410 1HB PRO 49 HB3 PRO 49 15.478 12.094 -5.277
411 2HB PRO 49 HB2 PRO 49 14.118 13.082 -5.866
412 1HG PRO 49 HG2 PRO 49 16.263 13.779 -3.898
413 2HG PRO 49 HG3 PRO 49 15.339 14.842 -4.972
414 1HD PRO 49 HD3 PRO 49 14.873 14.473 -2.188
415 2HD PRO 49 HD2 PRO 49 13.755 15.251 -3.329
416 HA PRO 50 HA PRO 50 14.854 8.556 -2.100
417 1HB PRO 50 HB2 PRO 50 14.989 6.613 -4.043
418 2HB PRO 50 HB3 PRO 50 13.500 7.045 -3.189
419 1HG PRO 50 HG2 PRO 50 14.344 7.710 -5.979
420 2HG PRO 50 HG3 PRO 50 12.712 7.524 -5.316
421 1HD PRO 50 HD2 PRO 50 14.001 10.000 -5.834
422 2HD PRO 50 HD3 PRO 50 12.545 9.766 -4.841
423 H SER 51 HN SER 51 16.144 8.421 -5.465
424 HA SER 51 HA SER 51 18.877 8.989 -4.403
425 1HB SER 51 HB2 SER 51 18.612 6.606 -6.213
426 2HB SER 51 HB3 SER 51 19.823 6.955 -4.980
427 HG SER 51 HG SER 51 17.649 5.477 -4.756
428 H SER 52 HN SER 52 19.671 7.727 -7.190
429 HA SER 52 HA SER 52 19.170 10.254 -8.674
430 1HB SER 52 HB2 SER 52 21.405 8.484 -8.428
431 2HB SER 52 HB3 SER 52 20.884 8.474 -10.112
432 HG SER 52 HG SER 52 20.826 10.849 -9.861
433 H SER 53 HN SER 53 19.519 6.841 -9.707
434 HA SER 53 HA SER 53 16.864 6.968 -10.997
435 1HB SER 53 HB2 SER 53 19.389 6.426 -12.589
436 2HB SER 53 HB3 SER 53 17.739 6.375 -13.209
437 HG SER 53 HG SER 53 17.633 8.631 -12.413
Start of MODEL 4
1 2H ASP 1 HN2 ASP 1 -6.349 3.307 7.339
2 3H ASP 1 HN3 ASP 1 -7.526 2.342 8.095
3 H ASP 1 HN ASP 1 -6.952 3.737 8.869
4 HA ASP 1 HA ASP 1 -8.583 4.906 7.970
5 1HB ASP 1 HB3 ASP 1 -6.763 4.311 5.779
6 2HB ASP 1 HB2 ASP 1 -8.414 4.530 5.198
7 H ASN 2 HN ASN 2 -8.267 1.710 6.461
8 HA ASN 2 HA ASN 2 -10.945 0.944 7.101
9 1HB ASN 2 HB3 ASN 2 -11.675 0.856 4.556
10 2HB ASN 2 HB2 ASN 2 -11.853 2.408 5.403
11 1HD2 ASN 2 HD2 ASN 2 -8.912 0.767 3.924
12 2HD2 ASN 2 HD2 ASN 2 -8.515 2.109 2.966
13 H TYR 3 HN TYR 3 -8.708 -0.443 7.525
14 HA TYR 3 HA TYR 3 -8.169 -2.293 5.285
15 1HB TYR 3 HB2 TYR 3 -7.181 -2.785 8.069
16 2HB TYR 3 HB3 TYR 3 -6.360 -3.061 6.537
17 HD1 TYR 3 HD1 TYR 3 -5.290 -1.604 9.063
18 HD2 TYR 3 HD2 TYR 3 -7.074 -0.133 5.425
19 HE1 TYR 3 HE1 TYR 3 -4.141 0.532 9.352
20 HE2 TYR 3 HE2 TYR 3 -5.909 2.004 5.729
21 HH TYR 3 HH TYR 3 -3.955 2.885 6.863
22 H ALA 4 HN ALA 4 -10.835 -2.278 6.027
23 HA ALA 4 HA ALA 4 -11.262 -5.101 6.578
24 1HB ALA 4 HB1 ALA 4 -11.782 -4.909 8.771
25 2HB ALA 4 HB2 ALA 4 -11.502 -3.169 8.714
26 3HB ALA 4 HB3 ALA 4 -13.096 -3.818 8.328
27 H ASP 5 HN ASP 5 -11.653 -2.956 4.535
28 HA ASP 5 HA ASP 5 -14.306 -3.662 3.643
29 1HB ASP 5 HB3 ASP 5 -13.834 -1.072 5.063
30 2HB ASP 5 HB2 ASP 5 -14.858 -1.050 3.632
31 H LEU 6 HN LEU 6 -11.725 -3.811 2.540
32 HA LEU 6 HA LEU 6 -12.064 -2.021 0.185
33 1HB LEU 6 HB3 LEU 6 -9.598 -1.502 0.172
34 2HB LEU 6 HB2 LEU 6 -10.388 -0.897 1.614
35 HG LEU 6 HG LEU 6 -9.628 -3.030 2.768
36 1HD1 LEU 6 HD1 LEU 6 -7.526 -3.993 1.821
37 2HD1 LEU 6 HD1 LEU 6 -8.920 -4.366 0.817
38 3HD1 LEU 6 HD1 LEU 6 -7.811 -3.081 0.349
39 1HD2 LEU 6 HD2 LEU 6 -7.798 -0.886 1.702
40 2HD2 LEU 6 HD2 LEU 6 -8.611 -0.923 3.262
41 3HD2 LEU 6 HD2 LEU 6 -7.271 -2.026 2.939
42 H SER 7 HN SER 7 -12.581 -4.743 0.620
43 HA SER 7 HA SER 7 -11.920 -6.987 -0.069
44 1HB SER 7 HB2 SER 7 -13.660 -5.653 -1.537
45 2HB SER 7 HB3 SER 7 -12.322 -5.555 -2.716
46 HG SER 7 HG SER 7 -13.315 -7.417 -3.210
47 H ASP 8 HN ASP 8 -10.978 -7.541 -2.773
48 HA ASP 8 HA ASP 8 -8.094 -7.366 -2.227
49 1HB ASP 8 HB3 ASP 8 -7.817 -8.982 -3.967
50 2HB ASP 8 HB2 ASP 8 -9.241 -9.460 -3.052
51 H THR 9 HN THR 9 -10.361 -6.422 -4.831
52 HA THR 9 HA THR 9 -8.618 -5.225 -6.609
53 HB THR 9 HB THR 9 -11.380 -4.374 -5.718
54 HG1 THR 9 HG1 THR 9 -10.276 -5.579 -8.030
55 1HG2 THR 9 HG2 THR 9 -11.077 -2.353 -6.680
56 2HG2 THR 9 HG2 THR 9 -9.426 -2.770 -7.132
57 3HG2 THR 9 HG2 THR 9 -10.763 -3.170 -8.209
58 H GLU 10 HN GLU 10 -10.122 -3.648 -3.738
59 HA GLU 10 HA GLU 10 -8.725 -1.227 -4.019
60 1HB GLU 10 HB3 GLU 10 -9.148 -2.250 -1.294
61 2HB GLU 10 HB2 GLU 10 -9.271 -0.606 -1.893
62 1HG GLU 10 HG3 GLU 10 -11.226 -2.845 -2.156
63 2HG GLU 10 HG2 GLU 10 -11.510 -1.204 -1.616
64 H LEU 11 HN LEU 11 -7.692 -4.242 -2.564
65 HA LEU 11 HA LEU 11 -5.348 -3.299 -1.276
66 1HB LEU 11 HB3 LEU 11 -6.152 -5.679 -1.167
67 2HB LEU 11 HB2 LEU 11 -5.598 -5.895 -2.830
68 HG LEU 11 HG LEU 11 -3.640 -4.672 -1.010
69 1HD1 LEU 11 HD2 LEU 11 -3.666 -6.262 0.587
70 2HD1 LEU 11 HD2 LEU 11 -5.098 -6.964 -0.162
71 3HD1 LEU 11 HD2 LEU 11 -3.496 -7.511 -0.642
72 1HD2 LEU 11 HD1 LEU 11 -2.287 -6.565 -2.165
73 2HD2 LEU 11 HD1 LEU 11 -3.700 -6.716 -3.207
74 3HD2 LEU 11 HD1 LEU 11 -2.815 -5.198 -3.123
75 H THR 12 HN THR 12 -5.852 -4.523 -4.517
76 HA THR 12 HA THR 12 -3.263 -3.739 -5.526
77 HB THR 12 HB THR 12 -5.536 -4.081 -7.410
78 HG1 THR 12 HG1 THR 12 -4.657 -6.306 -5.930
79 1HG2 THR 12 HG2 THR 12 -3.905 -5.723 -8.363
80 2HG2 THR 12 HG2 THR 12 -3.194 -4.123 -8.147
81 3HG2 THR 12 HG2 THR 12 -2.839 -5.410 -6.990
82 H THR 13 HN THR 13 -6.279 -2.113 -4.998
83 HA THR 13 HA THR 13 -5.596 0.049 -6.871
84 HB THR 13 HB THR 13 -7.719 0.530 -4.848
85 HG1 THR 13 HG1 THR 13 -9.069 -0.833 -6.373
86 1HG2 THR 13 HG2 THR 13 -8.410 0.624 -7.673
87 2HG2 THR 13 HG2 THR 13 -8.414 1.928 -6.476
88 3HG2 THR 13 HG2 THR 13 -6.927 1.526 -7.335
89 H LEU 14 HN LEU 14 -4.639 -0.962 -3.854
90 HA LEU 14 HA LEU 14 -3.847 1.774 -2.980
91 1HB LEU 14 HB3 LEU 14 -4.387 -0.655 -1.247
92 2HB LEU 14 HB2 LEU 14 -3.880 0.925 -0.667
93 HG LEU 14 HG LEU 14 -6.417 0.528 -2.290
94 1HD1 LEU 14 HD2 LEU 14 -6.725 -0.877 -0.374
95 2HD1 LEU 14 HD2 LEU 14 -5.991 0.315 0.699
96 3HD1 LEU 14 HD2 LEU 14 -7.570 0.631 -0.018
97 1HD2 LEU 14 HD1 LEU 14 -7.034 2.678 -1.574
98 2HD2 LEU 14 HD1 LEU 14 -5.931 2.654 -0.201
99 3HD2 LEU 14 HD1 LEU 14 -5.301 2.864 -1.842
100 H LEU 15 HN LEU 15 -2.891 -1.226 -4.138
101 HA LEU 15 HA LEU 15 -0.123 -0.996 -3.065
102 1HB LEU 15 HB3 LEU 15 -1.964 -3.304 -3.637
103 2HB LEU 15 HB2 LEU 15 -0.231 -3.632 -3.860
104 HG LEU 15 HG LEU 15 -1.238 -4.030 -1.545
105 1HD1 LEU 15 HD2 LEU 15 1.207 -2.301 -1.975
106 2HD1 LEU 15 HD2 LEU 15 0.911 -3.264 -0.534
107 3HD1 LEU 15 HD2 LEU 15 1.158 -4.056 -2.092
108 1HD2 LEU 15 HD1 LEU 15 -0.719 -1.067 -1.257
109 2HD2 LEU 15 HD1 LEU 15 -2.344 -1.726 -1.444
110 3HD2 LEU 15 HD1 LEU 15 -1.370 -2.166 -0.044
111 H ARG 16 HN ARG 16 -2.132 -0.504 -5.640
112 HA ARG 16 HA ARG 16 0.097 -0.602 -7.642
113 1HB ARG 16 HB2 ARG 16 -2.074 -2.182 -7.834
114 2HB ARG 16 HB3 ARG 16 -2.803 -0.712 -8.446
115 1HG ARG 16 HG2 ARG 16 -0.177 -1.236 -9.652
116 2HG ARG 16 HG3 ARG 16 -1.352 -2.510 -9.966
117 1HD ARG 16 HD2 ARG 16 -2.901 -0.974 -10.942
118 2HD ARG 16 HD3 ARG 16 -2.002 0.422 -10.342
119 HE ARG 16 HE ARG 16 -0.724 -1.397 -12.328
120 1HH1 ARG 16 HH2 ARG 16 -2.574 1.422 -11.922
121 2HH1 ARG 16 HH2 ARG 16 -1.606 2.398 -12.974
122 1HH2 ARG 16 HH1 ARG 16 0.817 -0.039 -13.441
123 2HH2 ARG 16 HH1 ARG 16 0.314 1.571 -13.836
124 H ARG 17 HN ARG 17 -2.486 1.270 -6.110
125 HA ARG 17 HA ARG 17 -2.351 3.365 -8.164
126 1HB ARG 17 HB2 ARG 17 -4.344 4.100 -7.299
127 2HB ARG 17 HB3 ARG 17 -4.413 2.491 -6.606
128 1HG ARG 17 HG3 ARG 17 -3.835 3.268 -4.473
129 2HG ARG 17 HG2 ARG 17 -3.069 4.718 -5.098
130 1HD ARG 17 HD2 ARG 17 -5.382 4.977 -3.972
131 2HD ARG 17 HD3 ARG 17 -5.099 5.806 -5.505
132 HE ARG 17 HE ARG 17 -6.782 3.353 -5.139
133 1HH1 ARG 17 HH1 ARG 17 -7.856 5.982 -6.133
134 2HH1 ARG 17 HH1 ARG 17 -7.928 5.717 -7.843
135 1HH2 ARG 17 HH2 ARG 17 -5.832 2.958 -7.775
136 2HH2 ARG 17 HH2 ARG 17 -6.783 4.006 -8.771
137 H TYR 18 HN TYR 18 -0.992 2.485 -5.146
138 HA TYR 18 HA TYR 18 0.188 5.175 -4.690
139 1HB TYR 18 HB3 TYR 18 -0.053 2.645 -3.070
140 2HB TYR 18 HB2 TYR 18 1.297 3.700 -2.755
141 HD1 TYR 18 HD1 TYR 18 -1.542 5.653 -3.849
142 HD2 TYR 18 HD2 TYR 18 0.091 3.577 -0.454
143 HE1 TYR 18 HE1 TYR 18 -2.990 6.963 -2.351
144 HE2 TYR 18 HE2 TYR 18 -1.373 4.895 1.040
145 HH TYR 18 HH TYR 18 -3.955 6.809 -0.129
146 H ASN 19 HN ASN 19 0.959 1.888 -5.661
147 HA ASN 19 HA ASN 19 2.675 1.232 -7.128
148 1HB ASN 19 HB2 ASN 19 4.118 2.795 -8.068
149 2HB ASN 19 HB3 ASN 19 2.952 3.905 -7.360
150 1HD2 ASN 19 HD2 ASN 19 4.000 3.391 -4.501
151 2HD2 ASN 19 HD2 ASN 19 5.502 4.170 -4.458
152 H ILE 20 HN ILE 20 2.311 0.659 -4.369
153 HA ILE 20 HA ILE 20 4.885 0.623 -2.984
154 HB ILE 20 HB ILE 20 2.220 -0.893 -2.679
155 1HG1 ILE 20 HG1 ILE 20 3.257 0.980 -0.577
156 2HG1 ILE 20 HG1 ILE 20 2.605 1.697 -2.060
157 1HG2 ILE 20 HG2 ILE 20 4.382 -2.076 -1.798
158 2HG2 ILE 20 HG2 ILE 20 4.290 -0.874 -0.507
159 3HG2 ILE 20 HG2 ILE 20 2.949 -1.985 -0.776
160 1HD1 ILE 20 HD1 ILE 20 1.016 -0.496 -0.846
161 2HD1 ILE 20 HD1 ILE 20 1.059 1.032 0.034
162 3HD1 ILE 20 HD1 ILE 20 0.480 0.991 -1.628
163 HA PRO 21 HA PRO 21 6.581 -2.675 -5.320
164 1HB PRO 21 HB2 PRO 21 8.300 -3.709 -3.391
165 2HB PRO 21 HB3 PRO 21 8.653 -2.289 -4.392
166 1HG PRO 21 HG2 PRO 21 7.726 -2.421 -1.535
167 2HG PRO 21 HG3 PRO 21 8.807 -1.249 -2.308
168 1HD PRO 21 HD2 PRO 21 6.151 -0.731 -1.741
169 2HD PRO 21 HD3 PRO 21 7.041 0.075 -3.042
170 H HIS 22 HN HIS 22 4.698 -3.883 -5.511
171 HA HIS 22 HA HIS 22 4.389 -6.117 -3.546
172 1HB HIS 22 HB2 HIS 22 2.030 -5.928 -3.613
173 2HB HIS 22 HB3 HIS 22 2.563 -4.252 -3.503
174 HD1 HIS 22 HD1 HIS 22 2.601 -2.912 -5.848
175 HD2 HIS 22 HD2 HIS 22 0.728 -6.614 -5.917
176 HE1 HIS 22 HE1 HIS 22 1.357 -3.024 -8.043
177 H GLY 23 HN GLY 23 3.961 -8.149 -4.506
178 1HA GLY 23 HA1 GLY 23 4.099 -8.201 -7.482
179 2HA GLY 23 HA2 GLY 23 4.665 -9.499 -6.435
180 HA PRO 24 HA PRO 24 0.506 -11.066 -7.065
181 1HB PRO 24 HB2 PRO 24 0.829 -13.360 -5.600
182 2HB PRO 24 HB3 PRO 24 1.437 -13.166 -7.249
183 1HG PRO 24 HG2 PRO 24 2.939 -13.145 -4.662
184 2HG PRO 24 HG3 PRO 24 3.499 -13.605 -6.277
185 1HD PRO 24 HD2 PRO 24 4.014 -11.135 -4.971
186 2HD PRO 24 HD3 PRO 24 4.281 -11.499 -6.697
187 H VAL 25 HN VAL 25 -1.332 -10.600 -5.838
188 HA VAL 25 HA VAL 25 -0.956 -9.977 -2.963
189 HB VAL 25 HB VAL 25 -3.488 -9.745 -4.628
190 1HG1 VAL 25 HG2 VAL 25 -4.314 -8.440 -2.820
191 2HG1 VAL 25 HG2 VAL 25 -3.564 -9.845 -2.067
192 3HG1 VAL 25 HG2 VAL 25 -2.716 -8.303 -2.096
193 1HG2 VAL 25 HG1 VAL 25 -2.930 -7.440 -5.002
194 2HG2 VAL 25 HG1 VAL 25 -1.557 -7.508 -3.894
195 3HG2 VAL 25 HG1 VAL 25 -1.498 -8.364 -5.439
196 H VAL 26 HN VAL 26 -0.975 -11.825 -1.707
197 HA VAL 26 HA VAL 26 -3.230 -13.731 -2.179
198 HB VAL 26 HB VAL 26 -1.734 -15.582 -1.589
199 1HG1 VAL 26 HG1 VAL 26 -0.336 -15.547 -3.591
200 2HG1 VAL 26 HG1 VAL 26 -1.899 -14.819 -3.961
201 3HG1 VAL 26 HG1 VAL 26 -0.488 -13.794 -3.698
202 1HG2 VAL 26 HG2 VAL 26 0.058 -15.077 -0.305
203 2HG2 VAL 26 HG2 VAL 26 0.830 -14.474 -1.771
204 3HG2 VAL 26 HG2 VAL 26 -0.050 -13.367 -0.720
205 H GLY 27 HN GLY 27 -3.605 -15.133 -0.184
206 1HA GLY 27 HA1 GLY 27 -4.389 -13.617 2.023
207 2HA GLY 27 HA2 GLY 27 -4.071 -15.345 2.104
208 H SER 28 HN SER 28 -1.458 -15.704 1.981
209 HA SER 28 HA SER 28 -0.418 -14.996 4.459
210 1HB SER 28 HB2 SER 28 1.884 -15.253 3.205
211 2HB SER 28 HB3 SER 28 0.812 -16.644 3.371
212 HG SER 28 HG SER 28 1.486 -16.431 1.232
213 H THR 29 HN THR 29 0.811 -13.470 1.455
214 HA THR 29 HA THR 29 1.856 -11.223 2.971
215 HB THR 29 HB THR 29 1.995 -10.366 0.373
216 HG1 THR 29 HG1 THR 29 1.960 -12.046 -0.986
217 1HG2 THR 29 HG2 THR 29 3.992 -10.706 1.696
218 2HG2 THR 29 HG2 THR 29 3.730 -12.455 1.736
219 3HG2 THR 29 HG2 THR 29 4.164 -11.664 0.225
220 H ARG 30 HN ARG 30 -1.267 -11.889 2.297
221 HA ARG 30 HA ARG 30 -2.260 -9.563 1.046
222 1HB ARG 30 HB3 ARG 30 -3.813 -11.294 1.307
223 2HB ARG 30 HB2 ARG 30 -3.457 -11.489 3.022
224 1HG ARG 30 HG3 ARG 30 -5.154 -10.101 3.517
225 2HG ARG 30 HG2 ARG 30 -4.361 -8.805 2.621
226 1HD ARG 30 HD3 ARG 30 -5.344 -9.755 0.496
227 2HD ARG 30 HD2 ARG 30 -6.239 -10.914 1.484
228 HE ARG 30 HE ARG 30 -6.746 -8.239 2.424
229 1HH1 ARG 30 HH1 ARG 30 -7.057 -7.991 -0.579
230 2HH1 ARG 30 HH1 ARG 30 -8.734 -8.375 -0.785
231 1HH2 ARG 30 HH2 ARG 30 -9.068 -9.801 2.359
232 2HH2 ARG 30 HH2 ARG 30 -9.872 -9.401 0.878
233 H ARG 31 HN ARG 31 -1.801 -10.185 4.547
234 HA ARG 31 HA ARG 31 -2.671 -7.606 5.394
235 1HB ARG 31 HB3 ARG 31 -2.463 -9.209 7.112
236 2HB ARG 31 HB2 ARG 31 -0.843 -9.681 6.608
237 1HG ARG 31 HG3 ARG 31 -0.974 -6.845 7.270
238 2HG ARG 31 HG2 ARG 31 -1.483 -7.852 8.624
239 1HD ARG 31 HD2 ARG 31 1.130 -8.006 7.092
240 2HD ARG 31 HD3 ARG 31 0.909 -7.577 8.794
241 HE ARG 31 HE ARG 31 -0.187 -10.213 8.391
242 1HH1 ARG 31 HH1 ARG 31 2.389 -8.600 9.744
243 2HH1 ARG 31 HH1 ARG 31 3.522 -9.903 9.618
244 1HH2 ARG 31 HH2 ARG 31 1.462 -11.852 7.622
245 2HH2 ARG 31 HH2 ARG 31 2.998 -11.744 8.416
246 H LEU 32 HN LEU 32 0.599 -8.798 4.642
247 HA LEU 32 HA LEU 32 2.074 -6.512 5.191
248 1HB LEU 32 HB3 LEU 32 2.982 -8.750 4.512
249 2HB LEU 32 HB2 LEU 32 2.509 -8.401 2.857
250 HG LEU 32 HG LEU 32 4.983 -7.968 3.691
251 1HD1 LEU 32 HD2 LEU 32 3.774 -7.373 1.448
252 2HD1 LEU 32 HD2 LEU 32 3.781 -5.729 2.086
253 3HD1 LEU 32 HD2 LEU 32 5.300 -6.585 1.841
254 1HD2 LEU 32 HD1 LEU 32 4.230 -6.456 5.563
255 2HD2 LEU 32 HD1 LEU 32 5.402 -5.728 4.468
256 3HD2 LEU 32 HD1 LEU 32 3.700 -5.298 4.336
257 H TYR 33 HN TYR 33 -0.308 -6.940 2.713
258 HA TYR 33 HA TYR 33 0.762 -4.592 1.237
259 1HB TYR 33 HB2 TYR 33 -1.396 -6.596 0.569
260 2HB TYR 33 HB3 TYR 33 -1.177 -5.134 -0.361
261 HD1 TYR 33 HD1 TYR 33 1.785 -4.854 -0.383
262 HD2 TYR 33 HD2 TYR 33 -0.679 -8.347 -0.807
263 HE1 TYR 33 HE1 TYR 33 3.605 -5.987 -1.610
264 HE2 TYR 33 HE2 TYR 33 1.139 -9.456 -2.078
265 HH TYR 33 HH TYR 33 4.010 -8.941 -1.950
266 H GLU 34 HN GLU 34 -2.115 -5.649 3.058
267 HA GLU 34 HA GLU 34 -3.328 -2.994 2.854
268 1HB GLU 34 HB3 GLU 34 -3.960 -5.518 4.360
269 2HB GLU 34 HB2 GLU 34 -4.701 -4.013 4.874
270 1HG GLU 34 HG3 GLU 34 -5.362 -5.722 2.612
271 2HG GLU 34 HG2 GLU 34 -6.313 -4.451 3.366
272 H LYS 35 HN LYS 35 -0.665 -4.114 4.400
273 HA LYS 35 HA LYS 35 -1.086 -2.486 6.861
274 1HB LYS 35 HB3 LYS 35 -0.399 -4.638 7.450
275 2HB LYS 35 HB2 LYS 35 0.594 -4.807 6.022
276 1HG LYS 35 HG3 LYS 35 1.640 -2.665 7.699
277 2HG LYS 35 HG2 LYS 35 1.453 -4.137 8.646
278 1HD LYS 35 HD3 LYS 35 2.541 -5.135 6.340
279 2HD LYS 35 HD2 LYS 35 3.297 -3.547 6.408
280 1HE LYS 35 HE3 LYS 35 3.642 -5.890 8.203
281 2HE LYS 35 HE2 LYS 35 4.800 -4.642 7.745
282 1HZ LYS 35 HZ1 LYS 35 3.239 -3.141 9.159
283 2HZ LYS 35 HZ2 LYS 35 2.783 -4.611 9.878
284 3HZ LYS 35 HZ3 LYS 35 4.406 -4.110 9.918
285 H LYS 36 HN LYS 36 1.082 -2.893 4.092
286 HA LYS 36 HA LYS 36 3.126 -0.993 4.887
287 1HB LYS 36 HB2 LYS 36 2.097 -1.981 2.211
288 2HB LYS 36 HB3 LYS 36 3.351 -0.745 2.299
289 1HG LYS 36 HG2 LYS 36 3.584 -3.418 3.708
290 2HG LYS 36 HG3 LYS 36 4.197 -3.140 2.079
291 1HD LYS 36 HD3 LYS 36 5.152 -0.970 3.586
292 2HD LYS 36 HD2 LYS 36 5.366 -2.375 4.631
293 1HE LYS 36 HE3 LYS 36 7.332 -1.947 3.126
294 2HE LYS 36 HE2 LYS 36 6.611 -3.538 2.893
295 1HZ LYS 36 HZ1 LYS 36 5.487 -1.419 1.270
296 2HZ LYS 36 HZ2 LYS 36 7.100 -1.820 0.913
297 3HZ LYS 36 HZ3 LYS 36 5.891 -3.012 0.850
298 H ILE 37 HN ILE 37 0.202 -0.963 3.215
299 HA ILE 37 HA ILE 37 -0.122 1.677 2.350
300 HB ILE 37 HB ILE 37 -1.259 -0.751 2.090
301 1HG1 ILE 37 HG1 ILE 37 -1.530 1.370 0.648
302 2HG1 ILE 37 HG1 ILE 37 -2.924 0.298 0.697
303 1HG2 ILE 37 HG2 ILE 37 -3.655 -0.491 2.986
304 2HG2 ILE 37 HG2 ILE 37 -2.415 -0.890 4.179
305 3HG2 ILE 37 HG2 ILE 37 -3.028 0.764 4.047
306 1HD1 ILE 37 HD1 ILE 37 -3.699 2.582 1.008
307 2HD1 ILE 37 HD1 ILE 37 -3.882 1.716 2.534
308 3HD1 ILE 37 HD1 ILE 37 -2.538 2.837 2.310
309 H PHE 38 HN PHE 38 0.324 0.837 5.541
310 HA PHE 38 HA PHE 38 -1.684 2.795 6.548
311 1HB PHE 38 HB2 PHE 38 -1.998 0.758 7.744
312 2HB PHE 38 HB3 PHE 38 -0.270 0.413 7.762
313 HD1 PHE 38 HD1 PHE 38 -2.863 2.705 9.176
314 HD2 PHE 38 HD2 PHE 38 1.102 1.099 9.545
315 HE1 PHE 38 HE1 PHE 38 -2.653 3.744 11.415
316 HE2 PHE 38 HE2 PHE 38 1.315 2.141 11.784
317 HZ PHE 38 HZ PHE 38 -0.563 3.464 12.720
318 H GLU 39 HN GLU 39 1.618 1.682 7.415
319 HA GLU 39 HA GLU 39 2.377 4.169 8.613
320 1HB GLU 39 HB2 GLU 39 4.609 3.301 8.613
321 2HB GLU 39 HB3 GLU 39 3.559 1.901 8.821
322 1HG GLU 39 HG2 GLU 39 3.775 1.270 6.519
323 2HG GLU 39 HG3 GLU 39 4.567 2.820 6.115
324 H TYR 40 HN TYR 40 2.241 3.014 5.340
325 HA TYR 40 HA TYR 40 3.952 4.697 3.938
326 1HB TYR 40 HB2 TYR 40 2.556 3.008 2.844
327 2HB TYR 40 HB3 TYR 40 1.101 3.916 3.245
328 HD1 TYR 40 HD1 TYR 40 0.260 5.486 1.736
329 HD2 TYR 40 HD2 TYR 40 4.371 4.272 1.444
330 HE1 TYR 40 HE1 TYR 40 0.491 6.782 -0.365
331 HE2 TYR 40 HE2 TYR 40 4.605 5.571 -0.655
332 HH TYR 40 HH TYR 40 2.023 6.676 -2.429
333 H GLU 41 HN GLU 41 0.861 5.492 5.456
334 HA GLU 41 HA GLU 41 1.279 8.345 4.649
335 1HB GLU 41 HB3 GLU 41 -1.139 6.631 4.988
336 2HB GLU 41 HB2 GLU 41 -1.285 8.327 5.457
337 1HG GLU 41 HG3 GLU 41 0.113 8.345 3.010
338 2HG GLU 41 HG2 GLU 41 -1.195 7.180 2.799
339 H THR 42 HN THR 42 1.681 6.362 7.321
340 HA THR 42 HA THR 42 0.948 8.586 9.176
341 HB THR 42 HB THR 42 0.984 5.594 9.561
342 HG1 THR 42 HG1 THR 42 -1.132 6.189 10.394
343 1HG2 THR 42 HG2 THR 42 0.410 6.168 11.980
344 2HG2 THR 42 HG2 THR 42 2.098 6.383 11.516
345 3HG2 THR 42 HG2 THR 42 1.033 7.783 11.643
346 H GLN 43 HN GLN 43 3.639 7.283 7.727
347 HA GLN 43 HA GLN 43 5.292 8.090 10.076
348 1HB GLN 43 HB2 GLN 43 6.983 6.403 9.441
349 2HB GLN 43 HB3 GLN 43 5.451 5.655 9.880
350 1HG GLN 43 HG2 GLN 43 5.041 4.902 7.750
351 2HG GLN 43 HG3 GLN 43 5.767 6.335 7.002
352 1HE2 GLN 43 HE2 GLN 43 8.093 5.030 9.347
353 2HE2 GLN 43 HE2 GLN 43 8.965 4.124 8.211
354 H ARG 44 HN ARG 44 4.963 7.961 6.564
355 HA ARG 44 HA ARG 44 6.205 10.476 6.182
356 1HB ARG 44 HB3 ARG 44 8.332 9.441 4.973
357 2HB ARG 44 HB2 ARG 44 8.374 9.756 6.700
358 1HG ARG 44 HG3 ARG 44 7.233 7.147 6.200
359 2HG ARG 44 HG2 ARG 44 8.792 7.288 5.394
360 1HD ARG 44 HD2 ARG 44 8.164 7.628 8.333
361 2HD ARG 44 HD3 ARG 44 9.313 6.514 7.579
362 HE ARG 44 HE ARG 44 10.143 9.192 6.912
363 1HH1 ARG 44 HH1 ARG 44 10.475 6.652 9.156
364 2HH1 ARG 44 HH1 ARG 44 11.432 7.559 10.279
365 1HH2 ARG 44 HH2 ARG 44 11.072 10.556 8.573
366 2HH2 ARG 44 HH2 ARG 44 11.770 9.768 9.949
367 H ARG 45 HN ARG 45 6.986 10.654 3.751
368 HA ARG 45 HA ARG 45 5.702 8.742 1.941
369 1HB ARG 45 HB3 ARG 45 3.728 9.880 2.166
370 2HB ARG 45 HB2 ARG 45 4.495 11.342 2.744
371 1HG ARG 45 HG2 ARG 45 3.367 11.522 0.470
372 2HG ARG 45 HG3 ARG 45 5.044 12.053 0.532
373 1HD ARG 45 HD2 ARG 45 4.079 10.324 -1.344
374 2HD ARG 45 HD3 ARG 45 5.768 10.367 -0.827
375 HE ARG 45 HE ARG 45 4.092 8.597 0.827
376 1HH1 ARG 45 HH1 ARG 45 4.410 8.211 -2.373
377 2HH1 ARG 45 HH1 ARG 45 5.513 6.876 -2.342
378 1HH2 ARG 45 HH2 ARG 45 6.227 7.197 1.034
379 2HH2 ARG 45 HH2 ARG 45 6.541 6.303 -0.414
380 H ARG 46 HN ARG 46 6.642 12.265 1.736
381 HA ARG 46 HA ARG 46 8.421 11.471 -0.524
382 1HB ARG 46 HB2 ARG 46 7.611 14.260 0.352
383 2HB ARG 46 HB3 ARG 46 8.374 13.813 -1.172
384 1HG ARG 46 HG2 ARG 46 6.131 12.204 -1.156
385 2HG ARG 46 HG3 ARG 46 5.543 13.666 -0.367
386 1HD ARG 46 HD2 ARG 46 6.737 14.924 -2.316
387 2HD ARG 46 HD3 ARG 46 6.719 13.352 -3.130
388 HE ARG 46 HE ARG 46 4.047 13.875 -2.148
389 1HH1 ARG 46 HH2 ARG 46 5.841 13.731 -4.942
390 2HH1 ARG 46 HH2 ARG 46 4.900 14.875 -5.839
391 1HH2 ARG 46 HH1 ARG 46 3.062 15.920 -3.091
392 2HH2 ARG 46 HH1 ARG 46 3.327 16.114 -4.791
393 H LEU 47 HN LEU 47 8.635 14.067 1.923
394 HA LEU 47 HA LEU 47 10.381 14.533 3.468
395 1HB LEU 47 HB2 LEU 47 11.825 12.061 2.472
396 2HB LEU 47 HB3 LEU 47 11.939 12.818 4.059
397 HG LEU 47 HG LEU 47 9.194 12.090 3.511
398 1HD1 LEU 47 HD2 LEU 47 9.334 10.005 2.664
399 2HD1 LEU 47 HD2 LEU 47 11.033 10.328 2.319
400 3HD1 LEU 47 HD2 LEU 47 10.572 9.555 3.836
401 1HD2 LEU 47 HD1 LEU 47 9.654 10.695 5.612
402 2HD2 LEU 47 HD1 LEU 47 11.311 11.291 5.531
403 3HD2 LEU 47 HD1 LEU 47 9.977 12.423 5.762
404 H SER 48 HN SER 48 10.317 15.690 0.906
405 HA SER 48 HA SER 48 12.928 16.733 0.638
406 1HB SER 48 HB2 SER 48 13.096 15.463 -1.796
407 2HB SER 48 HB3 SER 48 13.991 14.989 -0.352
408 HG SER 48 HG SER 48 12.960 13.178 -0.738
409 HA PRO 49 HA PRO 49 9.471 18.623 -1.840
410 1HB PRO 49 HB2 PRO 49 9.199 20.877 -0.237
411 2HB PRO 49 HB3 PRO 49 8.253 19.393 0.056
412 1HG PRO 49 HG3 PRO 49 10.617 20.460 1.542
413 2HG PRO 49 HG2 PRO 49 9.296 19.429 2.115
414 1HD PRO 49 HD3 PRO 49 11.913 18.555 1.447
415 2HD PRO 49 HD2 PRO 49 10.499 17.499 1.653
416 HA PRO 50 HA PRO 50 13.019 20.980 -3.399
417 1HB PRO 50 HB2 PRO 50 12.128 21.001 -6.001
418 2HB PRO 50 HB3 PRO 50 13.025 19.654 -5.283
419 1HG PRO 50 HG2 PRO 50 10.105 19.873 -5.895
420 2HG PRO 50 HG3 PRO 50 11.133 18.432 -5.850
421 1HD PRO 50 HD3 PRO 50 9.338 19.246 -3.818
422 2HD PRO 50 HD2 PRO 50 10.641 18.052 -3.618
423 H SER 51 HN SER 51 9.954 21.659 -5.155
424 HA SER 51 HA SER 51 10.191 24.516 -4.204
425 1HB SER 51 HB2 SER 51 8.814 24.263 -6.747
426 2HB SER 51 HB3 SER 51 10.224 25.240 -6.339
427 HG SER 51 HG SER 51 11.357 23.851 -7.396
428 H SER 52 HN SER 52 8.672 23.108 -2.607
429 HA SER 52 HA SER 52 5.888 23.055 -3.651
430 1HB SER 52 HB2 SER 52 6.790 21.127 -2.306
431 2HB SER 52 HB3 SER 52 6.913 22.214 -0.923
432 HG SER 52 HG SER 52 4.937 21.033 -0.978
433 H SER 53 HN SER 53 7.790 24.512 -1.002
434 HA SER 53 HA SER 53 5.786 26.720 -0.944
435 1HB SER 53 HB2 SER 53 7.046 25.792 1.615
436 2HB SER 53 HB3 SER 53 5.514 26.630 1.366
437 HG SER 53 HG SER 53 4.924 24.591 0.206
Start of MODEL 5
1 2H ASP 1 HN2 ASP 1 -8.888 4.203 5.952
2 3H ASP 1 HN3 ASP 1 -9.196 5.783 6.495
3 H ASP 1 HN ASP 1 -10.357 4.964 5.567
4 HA ASP 1 HA ASP 1 -9.452 4.088 8.255
5 1HB ASP 1 HB2 ASP 1 -11.814 4.865 8.879
6 2HB ASP 1 HB3 ASP 1 -10.625 6.137 8.594
7 H ASN 2 HN ASN 2 -10.221 2.940 5.386
8 HA ASN 2 HA ASN 2 -12.290 1.024 6.398
9 1HB ASN 2 HB3 ASN 2 -12.413 0.469 3.828
10 2HB ASN 2 HB2 ASN 2 -13.147 2.005 4.349
11 1HD2 ASN 2 HD2 ASN 2 -9.712 0.938 3.543
12 2HD2 ASN 2 HD2 ASN 2 -9.428 2.269 2.531
13 H TYR 3 HN TYR 3 -9.756 0.536 7.344
14 HA TYR 3 HA TYR 3 -8.107 -1.110 5.654
15 1HB TYR 3 HB2 TYR 3 -8.470 -0.856 8.628
16 2HB TYR 3 HB3 TYR 3 -7.579 -2.236 7.993
17 HD1 TYR 3 HD1 TYR 3 -5.446 -1.700 8.859
18 HD2 TYR 3 HD2 TYR 3 -7.503 1.201 6.421
19 HE1 TYR 3 HE1 TYR 3 -3.412 -0.358 8.730
20 HE2 TYR 3 HE2 TYR 3 -5.448 2.541 6.299
21 HH TYR 3 HH TYR 3 -3.355 2.770 7.008
22 H ALA 4 HN ALA 4 -10.961 -1.789 7.620
23 HA ALA 4 HA ALA 4 -10.876 -4.649 6.835
24 1HB ALA 4 HB1 ALA 4 -12.707 -3.060 8.658
25 2HB ALA 4 HB2 ALA 4 -12.963 -4.763 8.274
26 3HB ALA 4 HB3 ALA 4 -11.506 -4.261 9.133
27 H ASP 5 HN ASP 5 -11.236 -2.597 4.830
28 HA ASP 5 HA ASP 5 -13.641 -3.636 3.536
29 1HB ASP 5 HB3 ASP 5 -13.839 -1.235 5.050
30 2HB ASP 5 HB2 ASP 5 -13.854 -0.772 3.348
31 H LEU 6 HN LEU 6 -12.135 -4.280 1.949
32 HA LEU 6 HA LEU 6 -11.612 -2.531 -0.207
33 1HB LEU 6 HB2 LEU 6 -9.048 -2.372 0.179
34 2HB LEU 6 HB3 LEU 6 -10.036 -1.376 1.238
35 HG LEU 6 HG LEU 6 -9.965 -3.462 2.790
36 1HD1 LEU 6 HD1 LEU 6 -8.756 -5.065 1.509
37 2HD1 LEU 6 HD1 LEU 6 -7.626 -3.849 0.917
38 3HD1 LEU 6 HD1 LEU 6 -7.548 -4.381 2.593
39 1HD2 LEU 6 HD2 LEU 6 -9.098 -1.259 3.285
40 2HD2 LEU 6 HD2 LEU 6 -7.855 -2.438 3.714
41 3HD2 LEU 6 HD2 LEU 6 -7.726 -1.511 2.215
42 H SER 7 HN SER 7 -12.522 -5.048 -0.089
43 HA SER 7 HA SER 7 -11.000 -7.314 -0.203
44 1HB SER 7 HB2 SER 7 -13.414 -6.411 -1.563
45 2HB SER 7 HB3 SER 7 -12.459 -7.506 -2.603
46 HG SER 7 HG SER 7 -13.994 -8.130 -0.539
47 H ASP 8 HN ASP 8 -10.151 -8.498 -2.226
48 HA ASP 8 HA ASP 8 -7.798 -7.812 -3.161
49 1HB ASP 8 HB2 ASP 8 -8.924 -8.446 -5.627
50 2HB ASP 8 HB3 ASP 8 -8.214 -9.568 -4.468
51 H THR 9 HN THR 9 -10.548 -6.518 -5.116
52 HA THR 9 HA THR 9 -9.128 -4.879 -6.794
53 HB THR 9 HB THR 9 -11.766 -4.279 -5.439
54 HG1 THR 9 HG1 THR 9 -11.493 -6.009 -7.010
55 1HG2 THR 9 HG2 THR 9 -10.036 -2.432 -6.823
56 2HG2 THR 9 HG2 THR 9 -11.428 -2.780 -7.849
57 3HG2 THR 9 HG2 THR 9 -11.674 -2.158 -6.220
58 H GLU 10 HN GLU 10 -10.462 -3.489 -3.723
59 HA GLU 10 HA GLU 10 -8.971 -1.126 -3.809
60 1HB GLU 10 HB2 GLU 10 -9.675 -2.698 -1.359
61 2HB GLU 10 HB3 GLU 10 -9.188 -1.005 -1.378
62 1HG GLU 10 HG3 GLU 10 -11.729 -2.257 -2.024
63 2HG GLU 10 HG2 GLU 10 -11.422 -0.635 -1.454
64 H LEU 11 HN LEU 11 -8.025 -4.200 -2.290
65 HA LEU 11 HA LEU 11 -5.619 -3.392 -1.119
66 1HB LEU 11 HB3 LEU 11 -6.427 -5.754 -1.079
67 2HB LEU 11 HB2 LEU 11 -5.927 -5.913 -2.766
68 HG LEU 11 HG LEU 11 -3.892 -4.776 -0.969
69 1HD1 LEU 11 HD2 LEU 11 -3.998 -6.388 0.612
70 2HD1 LEU 11 HD2 LEU 11 -5.306 -7.193 -0.250
71 3HD1 LEU 11 HD2 LEU 11 -3.631 -7.567 -0.645
72 1HD2 LEU 11 HD1 LEU 11 -2.808 -5.277 -2.868
73 2HD2 LEU 11 HD1 LEU 11 -2.838 -6.936 -2.304
74 3HD2 LEU 11 HD1 LEU 11 -4.079 -6.369 -3.410
75 H THR 12 HN THR 12 -6.124 -4.415 -4.444
76 HA THR 12 HA THR 12 -3.476 -3.685 -5.335
77 HB THR 12 HB THR 12 -5.722 -3.860 -7.288
78 HG1 THR 12 HG1 THR 12 -4.875 -6.147 -5.869
79 1HG2 THR 12 HG2 THR 12 -3.342 -3.863 -7.961
80 2HG2 THR 12 HG2 THR 12 -3.061 -5.280 -6.944
81 3HG2 THR 12 HG2 THR 12 -4.103 -5.404 -8.364
82 H THR 13 HN THR 13 -6.542 -2.065 -4.974
83 HA THR 13 HA THR 13 -5.736 0.230 -6.599
84 HB THR 13 HB THR 13 -7.876 0.658 -4.609
85 HG1 THR 13 HG1 THR 13 -8.249 -1.219 -6.697
86 1HG2 THR 13 HG2 THR 13 -7.081 1.639 -7.112
87 2HG2 THR 13 HG2 THR 13 -8.591 0.765 -7.422
88 3HG2 THR 13 HG2 THR 13 -8.548 2.071 -6.230
89 H LEU 14 HN LEU 14 -4.811 -1.047 -3.699
90 HA LEU 14 HA LEU 14 -4.068 1.577 -2.524
91 1HB LEU 14 HB3 LEU 14 -4.797 -1.026 -1.174
92 2HB LEU 14 HB2 LEU 14 -4.031 0.309 -0.329
93 HG LEU 14 HG LEU 14 -6.656 0.543 -1.850
94 1HD1 LEU 14 HD2 LEU 14 -6.875 -1.025 0.038
95 2HD1 LEU 14 HD2 LEU 14 -6.164 0.171 1.121
96 3HD1 LEU 14 HD2 LEU 14 -7.732 0.478 0.378
97 1HD2 LEU 14 HD1 LEU 14 -5.766 2.366 0.376
98 2HD2 LEU 14 HD1 LEU 14 -5.142 2.636 -1.259
99 3HD2 LEU 14 HD1 LEU 14 -6.876 2.688 -0.952
100 H LEU 15 HN LEU 15 -3.067 -1.312 -3.935
101 HA LEU 15 HA LEU 15 -0.316 -1.115 -2.824
102 1HB LEU 15 HB3 LEU 15 -2.155 -3.357 -3.387
103 2HB LEU 15 HB2 LEU 15 -0.504 -3.691 -3.926
104 HG LEU 15 HG LEU 15 -0.952 -4.318 -1.590
105 1HD1 LEU 15 HD2 LEU 15 1.280 -4.156 -2.228
106 2HD1 LEU 15 HD2 LEU 15 1.154 -2.439 -2.559
107 3HD1 LEU 15 HD2 LEU 15 1.225 -3.009 -0.895
108 1HD2 LEU 15 HD1 LEU 15 -0.505 -1.474 -0.789
109 2HD2 LEU 15 HD1 LEU 15 -2.155 -1.905 -1.239
110 3HD2 LEU 15 HD1 LEU 15 -1.354 -2.746 0.085
111 H ARG 16 HN ARG 16 -2.293 -0.488 -5.377
112 HA ARG 16 HA ARG 16 -0.058 -0.470 -7.373
113 1HB ARG 16 HB3 ARG 16 -2.171 -1.966 -7.757
114 2HB ARG 16 HB2 ARG 16 -3.023 -0.461 -8.025
115 1HG ARG 16 HG3 ARG 16 -0.490 -0.996 -9.569
116 2HG ARG 16 HG2 ARG 16 -2.006 -1.721 -10.083
117 1HD ARG 16 HD3 ARG 16 -2.336 1.100 -9.416
118 2HD ARG 16 HD2 ARG 16 -1.135 0.859 -10.685
119 HE ARG 16 HE ARG 16 -3.123 -0.691 -11.629
120 1HH1 ARG 16 HH1 ARG 16 -2.759 2.150 -12.607
121 2HH1 ARG 16 HH1 ARG 16 -4.346 2.804 -12.372
122 1HH2 ARG 16 HH2 ARG 16 -5.370 0.257 -10.253
123 2HH2 ARG 16 HH2 ARG 16 -5.824 1.732 -11.039
124 H ARG 17 HN ARG 17 -2.603 1.323 -5.705
125 HA ARG 17 HA ARG 17 -2.537 3.594 -7.529
126 1HB ARG 17 HB2 ARG 17 -4.280 4.479 -6.235
127 2HB ARG 17 HB3 ARG 17 -4.505 2.750 -6.001
128 1HG ARG 17 HG3 ARG 17 -4.624 3.591 -3.808
129 2HG ARG 17 HG2 ARG 17 -2.967 3.015 -3.928
130 1HD ARG 17 HD3 ARG 17 -2.408 5.070 -3.154
131 2HD ARG 17 HD2 ARG 17 -2.743 5.622 -4.793
132 HE ARG 17 HE ARG 17 -4.834 6.543 -4.054
133 1HH1 ARG 17 HH2 ARG 17 -4.035 4.071 -1.885
134 2HH1 ARG 17 HH2 ARG 17 -4.657 4.875 -0.481
135 1HH2 ARG 17 HH1 ARG 17 -5.275 7.858 -2.138
136 2HH2 ARG 17 HH1 ARG 17 -5.360 7.018 -0.625
137 H TYR 18 HN TYR 18 -0.934 2.601 -4.580
138 HA TYR 18 HA TYR 18 0.309 5.285 -4.286
139 1HB TYR 18 HB2 TYR 18 0.087 2.848 -2.575
140 2HB TYR 18 HB3 TYR 18 1.559 3.801 -2.412
141 HD1 TYR 18 HD1 TYR 18 0.956 6.524 -2.470
142 HD2 TYR 18 HD2 TYR 18 -1.542 3.342 -1.072
143 HE1 TYR 18 HE1 TYR 18 -0.285 8.125 -1.034
144 HE2 TYR 18 HE2 TYR 18 -2.787 4.920 0.368
145 HH TYR 18 HH TYR 18 -3.022 7.040 0.986
146 H ASN 19 HN ASN 19 0.917 2.033 -5.371
147 HA ASN 19 HA ASN 19 2.613 1.312 -6.843
148 1HB ASN 19 HB3 ASN 19 2.917 3.810 -7.360
149 2HB ASN 19 HB2 ASN 19 4.210 3.779 -6.159
150 1HD2 ASN 19 HD2 ASN 19 4.440 0.730 -7.253
151 2HD2 ASN 19 HD2 ASN 19 5.467 0.943 -8.585
152 H ILE 20 HN ILE 20 2.301 0.529 -4.215
153 HA ILE 20 HA ILE 20 4.932 0.589 -2.851
154 HB ILE 20 HB ILE 20 2.331 -1.003 -2.397
155 1HG1 ILE 20 HG1 ILE 20 3.225 1.097 -0.466
156 2HG1 ILE 20 HG1 ILE 20 2.539 1.651 -2.002
157 1HG2 ILE 20 HG2 ILE 20 4.493 -0.646 -0.318
158 2HG2 ILE 20 HG2 ILE 20 3.166 -1.807 -0.340
159 3HG2 ILE 20 HG2 ILE 20 4.529 -2.005 -1.443
160 1HD1 ILE 20 HD1 ILE 20 1.016 1.068 0.128
161 2HD1 ILE 20 HD1 ILE 20 0.457 0.820 -1.524
162 3HD1 ILE 20 HD1 ILE 20 1.096 -0.538 -0.598
163 HA PRO 21 HA PRO 21 6.480 -2.655 -5.363
164 1HB PRO 21 HB2 PRO 21 8.303 -3.753 -3.566
165 2HB PRO 21 HB3 PRO 21 8.605 -2.314 -4.556
166 1HG PRO 21 HG3 PRO 21 7.831 -2.510 -1.657
167 2HG PRO 21 HG2 PRO 21 8.911 -1.346 -2.447
168 1HD PRO 21 HD2 PRO 21 6.292 -0.757 -1.741
169 2HD PRO 21 HD3 PRO 21 7.098 0.039 -3.105
170 H HIS 22 HN HIS 22 4.502 -3.774 -5.410
171 HA HIS 22 HA HIS 22 4.245 -6.018 -3.463
172 1HB HIS 22 HB3 HIS 22 1.905 -5.847 -3.621
173 2HB HIS 22 HB2 HIS 22 2.449 -4.193 -3.623
174 HD1 HIS 22 HD1 HIS 22 2.721 -3.073 -6.107
175 HD2 HIS 22 HD2 HIS 22 0.446 -6.534 -5.802
176 HE1 HIS 22 HE1 HIS 22 1.366 -3.218 -8.240
177 H GLY 23 HN GLY 23 3.651 -8.033 -4.305
178 1HA GLY 23 HA1 GLY 23 4.058 -8.337 -7.248
179 2HA GLY 23 HA2 GLY 23 4.538 -9.550 -6.067
180 HA PRO 24 HA PRO 24 0.418 -11.149 -6.890
181 1HB PRO 24 HB2 PRO 24 0.642 -13.359 -5.284
182 2HB PRO 24 HB3 PRO 24 1.367 -13.256 -6.896
183 1HG PRO 24 HG3 PRO 24 2.683 -13.084 -4.216
184 2HG PRO 24 HG2 PRO 24 3.355 -13.632 -5.759
185 1HD PRO 24 HD3 PRO 24 3.775 -11.087 -4.560
186 2HD PRO 24 HD2 PRO 24 4.165 -11.552 -6.238
187 H VAL 25 HN VAL 25 -1.537 -10.736 -5.783
188 HA VAL 25 HA VAL 25 -1.309 -9.879 -2.957
189 HB VAL 25 HB VAL 25 -3.745 -9.832 -4.774
190 1HG1 VAL 25 HG2 VAL 25 -4.425 -9.808 -2.483
191 2HG1 VAL 25 HG2 VAL 25 -3.125 -8.701 -2.039
192 3HG1 VAL 25 HG2 VAL 25 -4.471 -8.133 -3.026
193 1HG2 VAL 25 HG1 VAL 25 -1.890 -7.540 -3.981
194 2HG2 VAL 25 HG1 VAL 25 -1.824 -8.381 -5.535
195 3HG2 VAL 25 HG1 VAL 25 -3.261 -7.468 -5.092
196 H VAL 26 HN VAL 26 -0.807 -12.203 -2.355
197 HA VAL 26 HA VAL 26 -3.278 -13.873 -2.248
198 HB VAL 26 HB VAL 26 -1.841 -15.791 -2.053
199 1HG1 VAL 26 HG1 VAL 26 -1.281 -13.771 -4.158
200 2HG1 VAL 26 HG1 VAL 26 -0.132 -15.104 -4.040
201 3HG1 VAL 26 HG1 VAL 26 -1.841 -15.437 -4.317
202 1HG2 VAL 26 HG2 VAL 26 0.554 -15.632 -1.751
203 2HG2 VAL 26 HG2 VAL 26 0.514 -13.880 -1.949
204 3HG2 VAL 26 HG2 VAL 26 -0.199 -14.622 -0.516
205 H GLY 27 HN GLY 27 -3.278 -15.341 -0.232
206 1HA GLY 27 HA1 GLY 27 -3.620 -13.801 2.096
207 2HA GLY 27 HA2 GLY 27 -3.419 -15.547 2.095
208 H SER 28 HN SER 28 -0.786 -15.925 1.375
209 HA SER 28 HA SER 28 0.626 -15.421 3.753
210 1HB SER 28 HB3 SER 28 1.711 -15.953 0.973
211 2HB SER 28 HB2 SER 28 2.668 -16.021 2.450
212 HG SER 28 HG SER 28 0.403 -17.590 1.793
213 H THR 29 HN THR 29 -0.070 -13.153 1.283
214 HA THR 29 HA THR 29 1.864 -11.267 2.552
215 HB THR 29 HB THR 29 2.074 -10.379 0.008
216 HG1 THR 29 HG1 THR 29 1.607 -11.833 -1.439
217 1HG2 THR 29 HG2 THR 29 4.047 -11.024 1.239
218 2HG2 THR 29 HG2 THR 29 3.577 -12.728 1.214
219 3HG2 THR 29 HG2 THR 29 4.071 -11.927 -0.275
220 H ARG 30 HN ARG 30 -1.123 -11.750 2.561
221 HA ARG 30 HA ARG 30 -2.302 -9.555 1.120
222 1HB ARG 30 HB2 ARG 30 -3.155 -11.707 2.949
223 2HB ARG 30 HB3 ARG 30 -4.095 -10.230 3.052
224 1HG ARG 30 HG3 ARG 30 -3.517 -11.054 0.291
225 2HG ARG 30 HG2 ARG 30 -4.484 -12.225 1.190
226 1HD ARG 30 HD2 ARG 30 -6.178 -10.596 1.679
227 2HD ARG 30 HD3 ARG 30 -5.143 -9.260 1.171
228 HE ARG 30 HE ARG 30 -5.351 -10.722 -1.135
229 1HH1 ARG 30 HH1 ARG 30 -7.886 -10.964 1.010
230 2HH1 ARG 30 HH1 ARG 30 -9.078 -10.249 -0.024
231 1HH2 ARG 30 HH2 ARG 30 -6.779 -9.219 -2.405
232 2HH2 ARG 30 HH2 ARG 30 -8.451 -9.263 -1.958
233 H ARG 31 HN ARG 31 -1.765 -10.198 4.600
234 HA ARG 31 HA ARG 31 -2.559 -7.682 5.580
235 1HB ARG 31 HB3 ARG 31 -2.137 -9.125 7.326
236 2HB ARG 31 HB2 ARG 31 -0.755 -9.861 6.526
237 1HG ARG 31 HG2 ARG 31 -0.288 -7.040 7.250
238 2HG ARG 31 HG3 ARG 31 -0.620 -8.072 8.638
239 1HD ARG 31 HD2 ARG 31 1.455 -8.639 6.494
240 2HD ARG 31 HD3 ARG 31 1.801 -8.003 8.107
241 HE ARG 31 HE ARG 31 0.296 -10.446 8.410
242 1HH1 ARG 31 HH2 ARG 31 3.164 -9.398 9.343
243 2HH1 ARG 31 HH2 ARG 31 4.110 -10.769 8.869
244 1HH2 ARG 31 HH1 ARG 31 1.603 -12.158 6.916
245 2HH2 ARG 31 HH1 ARG 31 3.226 -12.332 7.495
246 H LEU 32 HN LEU 32 0.755 -8.700 4.720
247 HA LEU 32 HA LEU 32 2.167 -6.417 5.175
248 1HB LEU 32 HB3 LEU 32 3.333 -8.287 4.204
249 2HB LEU 32 HB2 LEU 32 2.330 -8.248 2.756
250 HG LEU 32 HG LEU 32 3.286 -5.868 2.360
251 1HD1 LEU 32 HD1 LEU 32 4.398 -5.183 4.276
252 2HD1 LEU 32 HD1 LEU 32 4.826 -6.835 4.729
253 3HD1 LEU 32 HD1 LEU 32 5.746 -5.998 3.479
254 1HD2 LEU 32 HD2 LEU 32 5.072 -6.692 1.120
255 2HD2 LEU 32 HD2 LEU 32 5.390 -8.005 2.258
256 3HD2 LEU 32 HD2 LEU 32 3.966 -8.063 1.217
257 H TYR 33 HN TYR 33 -0.184 -6.883 2.561
258 HA TYR 33 HA TYR 33 0.568 -4.340 1.313
259 1HB TYR 33 HB2 TYR 33 -1.734 -6.229 0.751
260 2HB TYR 33 HB3 TYR 33 -1.375 -4.807 -0.204
261 HD1 TYR 33 HD1 TYR 33 1.508 -4.775 -0.410
262 HD2 TYR 33 HD2 TYR 33 -1.152 -8.134 -0.476
263 HE1 TYR 33 HE1 TYR 33 3.187 -6.075 -1.676
264 HE2 TYR 33 HE2 TYR 33 0.533 -9.418 -1.762
265 HH TYR 33 HH TYR 33 3.333 -9.160 -1.876
266 H GLU 34 HN GLU 34 -2.164 -5.533 3.296
267 HA GLU 34 HA GLU 34 -3.416 -2.896 3.296
268 1HB GLU 34 HB3 GLU 34 -3.940 -5.511 4.645
269 2HB GLU 34 HB2 GLU 34 -4.598 -4.057 5.406
270 1HG GLU 34 HG3 GLU 34 -5.092 -5.019 2.574
271 2HG GLU 34 HG2 GLU 34 -6.266 -4.923 3.883
272 H LYS 35 HN LYS 35 -0.657 -4.060 4.643
273 HA LYS 35 HA LYS 35 -0.878 -2.370 7.096
274 1HB LYS 35 HB3 LYS 35 -0.305 -4.478 7.829
275 2HB LYS 35 HB2 LYS 35 0.413 -4.909 6.300
276 1HG LYS 35 HG3 LYS 35 2.009 -2.857 7.615
277 2HG LYS 35 HG2 LYS 35 1.779 -4.253 8.666
278 1HD LYS 35 HD3 LYS 35 2.505 -5.749 6.850
279 2HD LYS 35 HD2 LYS 35 2.734 -4.362 5.787
280 1HE LYS 35 HE3 LYS 35 4.424 -5.356 8.002
281 2HE LYS 35 HE2 LYS 35 4.880 -4.478 6.541
282 1HZ LYS 35 HZ1 LYS 35 5.254 -3.060 8.394
283 2HZ LYS 35 HZ2 LYS 35 3.888 -2.467 7.577
284 3HZ LYS 35 HZ3 LYS 35 3.704 -3.346 9.019
285 H LYS 36 HN LYS 36 0.961 -2.963 4.180
286 HA LYS 36 HA LYS 36 3.254 -1.250 4.727
287 1HB LYS 36 HB3 LYS 36 1.873 -2.325 2.260
288 2HB LYS 36 HB2 LYS 36 3.058 -1.033 2.071
289 1HG LYS 36 HG3 LYS 36 3.735 -3.482 3.662
290 2HG LYS 36 HG2 LYS 36 3.840 -3.519 1.921
291 1HD LYS 36 HD3 LYS 36 5.078 -1.104 2.739
292 2HD LYS 36 HD2 LYS 36 5.683 -2.360 3.819
293 1HE LYS 36 HE2 LYS 36 5.967 -2.121 0.840
294 2HE LYS 36 HE3 LYS 36 7.184 -2.547 2.044
295 1HZ LYS 36 HZ1 LYS 36 5.455 -4.547 2.341
296 2HZ LYS 36 HZ2 LYS 36 5.249 -4.227 0.686
297 3HZ LYS 36 HZ3 LYS 36 6.788 -4.610 1.296
298 H ILE 37 HN ILE 37 0.184 -1.012 3.347
299 HA ILE 37 HA ILE 37 -0.074 1.654 2.531
300 HB ILE 37 HB ILE 37 -1.374 -0.697 2.378
301 1HG1 ILE 37 HG1 ILE 37 -1.693 1.519 1.064
302 2HG1 ILE 37 HG1 ILE 37 -3.066 0.430 1.153
303 1HG2 ILE 37 HG2 ILE 37 -3.629 -0.347 3.544
304 2HG2 ILE 37 HG2 ILE 37 -2.286 -0.823 4.585
305 3HG2 ILE 37 HG2 ILE 37 -2.827 0.859 4.539
306 1HD1 ILE 37 HD1 ILE 37 -3.839 2.691 1.619
307 2HD1 ILE 37 HD1 ILE 37 -3.930 1.747 3.108
308 3HD1 ILE 37 HD1 ILE 37 -2.607 2.892 2.864
309 H PHE 38 HN PHE 38 0.665 0.745 5.633
310 HA PHE 38 HA PHE 38 -1.160 2.710 6.904
311 1HB PHE 38 HB2 PHE 38 -1.242 0.502 7.896
312 2HB PHE 38 HB3 PHE 38 0.505 0.408 7.969
313 HD1 PHE 38 HD1 PHE 38 -2.488 2.091 9.399
314 HD2 PHE 38 HD2 PHE 38 1.749 1.402 9.727
315 HE1 PHE 38 HE1 PHE 38 -2.497 3.090 11.670
316 HE2 PHE 38 HE2 PHE 38 1.732 2.403 11.999
317 HZ PHE 38 HZ PHE 38 -0.390 3.247 12.969
318 H GLU 39 HN GLU 39 2.215 1.582 7.367
319 HA GLU 39 HA GLU 39 3.120 4.077 8.487
320 1HB GLU 39 HB3 GLU 39 5.300 3.120 8.372
321 2HB GLU 39 HB2 GLU 39 4.241 1.731 8.570
322 1HG GLU 39 HG2 GLU 39 4.355 1.162 6.265
323 2HG GLU 39 HG3 GLU 39 5.100 2.730 5.853
324 H TYR 40 HN TYR 40 2.933 2.808 5.198
325 HA TYR 40 HA TYR 40 4.461 4.593 3.738
326 1HB TYR 40 HB2 TYR 40 2.797 2.736 2.953
327 2HB TYR 40 HB3 TYR 40 1.617 4.037 2.902
328 HD1 TYR 40 HD1 TYR 40 1.505 5.458 1.022
329 HD2 TYR 40 HD2 TYR 40 5.041 3.116 1.705
330 HE1 TYR 40 HE1 TYR 40 2.386 6.152 -1.188
331 HE2 TYR 40 HE2 TYR 40 5.929 3.819 -0.503
332 HH TYR 40 HH TYR 40 5.630 5.666 -2.100
333 H GLU 41 HN GLU 41 1.129 5.207 4.920
334 HA GLU 41 HA GLU 41 1.430 8.076 4.252
335 1HB GLU 41 HB3 GLU 41 -0.905 6.447 5.311
336 2HB GLU 41 HB2 GLU 41 -0.982 8.166 4.913
337 1HG GLU 41 HG2 GLU 41 -1.768 7.118 2.972
338 2HG GLU 41 HG3 GLU 41 -0.088 7.444 2.581
339 H THR 42 HN THR 42 1.930 6.028 6.939
340 HA THR 42 HA THR 42 1.502 8.328 8.812
341 HB THR 42 HB THR 42 1.409 5.357 9.321
342 HG1 THR 42 HG1 THR 42 -0.470 7.406 9.015
343 1HG2 THR 42 HG2 THR 42 2.153 6.058 11.368
344 2HG2 THR 42 HG2 THR 42 1.595 7.712 11.119
345 3HG2 THR 42 HG2 THR 42 0.447 6.455 11.581
346 H GLN 43 HN GLN 43 3.980 8.198 7.461
347 HA GLN 43 HA GLN 43 5.781 8.270 9.663
348 1HB GLN 43 HB2 GLN 43 7.079 6.267 9.380
349 2HB GLN 43 HB3 GLN 43 5.403 5.787 9.555
350 1HG GLN 43 HG2 GLN 43 5.487 4.720 7.589
351 2HG GLN 43 HG3 GLN 43 5.798 6.263 6.784
352 1HE2 GLN 43 HE2 GLN 43 8.584 5.941 8.815
353 2HE2 GLN 43 HE2 GLN 43 9.541 5.077 7.716
354 H ARG 44 HN ARG 44 5.328 7.969 6.193
355 HA ARG 44 HA ARG 44 7.374 9.994 5.765
356 1HB ARG 44 HB3 ARG 44 8.872 8.113 5.908
357 2HB ARG 44 HB2 ARG 44 7.832 7.130 4.879
358 1HG ARG 44 HG3 ARG 44 8.361 9.432 3.362
359 2HG ARG 44 HG2 ARG 44 9.897 9.030 4.129
360 1HD ARG 44 HD3 ARG 44 8.236 7.388 2.231
361 2HD ARG 44 HD2 ARG 44 9.973 7.719 2.191
362 HE ARG 44 HE ARG 44 9.451 6.220 4.591
363 1HH1 ARG 44 HH1 ARG 44 10.014 5.992 1.216
364 2HH1 ARG 44 HH1 ARG 44 9.983 4.262 1.180
365 1HH2 ARG 44 HH2 ARG 44 9.095 3.945 4.516
366 2HH2 ARG 44 HH2 ARG 44 9.463 3.101 3.049
367 H ARG 45 HN ARG 45 6.747 7.582 3.342
368 HA ARG 45 HA ARG 45 4.900 7.485 1.797
369 1HB ARG 45 HB3 ARG 45 3.765 9.426 2.854
370 2HB ARG 45 HB2 ARG 45 4.919 10.497 2.063
371 1HG ARG 45 HG3 ARG 45 4.201 9.103 -0.068
372 2HG ARG 45 HG2 ARG 45 2.739 8.850 0.881
373 1HD ARG 45 HD2 ARG 45 2.693 10.877 -0.661
374 2HD ARG 45 HD3 ARG 45 2.315 11.203 1.034
375 HE ARG 45 HE ARG 45 5.159 11.543 0.546
376 1HH1 ARG 45 HH2 ARG 45 2.659 12.931 -1.162
377 2HH1 ARG 45 HH2 ARG 45 2.970 14.560 -0.665
378 1HH2 ARG 45 HH1 ARG 45 5.302 13.662 1.739
379 2HH2 ARG 45 HH1 ARG 45 4.466 14.974 0.978
380 H ARG 46 HN ARG 46 6.902 10.499 1.390
381 HA ARG 46 HA ARG 46 8.352 9.127 -0.800
382 1HB ARG 46 HB2 ARG 46 7.046 11.808 -1.311
383 2HB ARG 46 HB3 ARG 46 7.761 10.711 -2.492
384 1HG ARG 46 HG2 ARG 46 5.918 9.048 -1.582
385 2HG ARG 46 HG3 ARG 46 5.118 10.533 -1.082
386 1HD ARG 46 HD2 ARG 46 5.591 11.347 -3.510
387 2HD ARG 46 HD3 ARG 46 5.858 9.633 -3.869
388 HE ARG 46 HE ARG 46 3.345 9.850 -2.459
389 1HH1 ARG 46 HH2 ARG 46 4.077 12.042 -4.802
390 2HH1 ARG 46 HH2 ARG 46 2.965 11.460 -5.995
391 1HH2 ARG 46 HH1 ARG 46 2.251 8.531 -4.282
392 2HH2 ARG 46 HH1 ARG 46 1.931 9.471 -5.700
393 H LEU 47 HN LEU 47 7.859 12.452 0.411
394 HA LEU 47 HA LEU 47 9.427 13.844 1.569
395 1HB LEU 47 HB2 LEU 47 11.623 11.946 0.675
396 2HB LEU 47 HB3 LEU 47 11.709 13.161 1.945
397 HG LEU 47 HG LEU 47 9.527 11.258 2.374
398 1HD1 LEU 47 HD1 LEU 47 10.682 9.385 1.733
399 2HD1 LEU 47 HD1 LEU 47 12.205 10.268 1.621
400 3HD1 LEU 47 HD1 LEU 47 11.649 9.670 3.183
401 1HD2 LEU 47 HD2 LEU 47 11.739 12.603 3.844
402 2HD2 LEU 47 HD2 LEU 47 10.040 12.424 4.284
403 3HD2 LEU 47 HD2 LEU 47 11.160 11.081 4.522
404 H SER 48 HN SER 48 9.709 12.544 -1.630
405 HA SER 48 HA SER 48 9.841 14.914 -3.014
406 1HB SER 48 HB2 SER 48 11.811 15.822 -2.380
407 2HB SER 48 HB3 SER 48 12.400 14.310 -1.702
408 HG SER 48 HG SER 48 12.551 15.273 -4.331
409 HA PRO 49 HA PRO 49 11.697 11.472 -5.759
410 1HB PRO 49 HB3 PRO 49 12.565 9.176 -4.515
411 2HB PRO 49 HB2 PRO 49 13.609 10.583 -4.832
412 1HG PRO 49 HG2 PRO 49 12.401 9.658 -2.259
413 2HG PRO 49 HG3 PRO 49 13.880 10.593 -2.530
414 1HD PRO 49 HD3 PRO 49 11.362 11.638 -1.697
415 2HD PRO 49 HD2 PRO 49 12.742 12.596 -2.273
416 HA PRO 50 HA PRO 50 7.671 9.459 -5.212
417 1HB PRO 50 HB2 PRO 50 7.093 9.420 -7.902
418 2HB PRO 50 HB3 PRO 50 6.812 10.822 -6.857
419 1HG PRO 50 HG2 PRO 50 8.968 10.372 -8.881
420 2HG PRO 50 HG3 PRO 50 8.241 11.893 -8.341
421 1HD PRO 50 HD3 PRO 50 10.748 10.862 -7.509
422 2HD PRO 50 HD2 PRO 50 9.856 12.168 -6.698
423 H SER 51 HN SER 51 9.637 8.585 -8.109
424 HA SER 51 HA SER 51 9.359 5.703 -7.247
425 1HB SER 51 HB2 SER 51 9.802 5.624 -9.977
426 2HB SER 51 HB3 SER 51 8.228 5.455 -9.198
427 HG SER 51 HG SER 51 9.343 7.618 -10.537
428 H SER 52 HN SER 52 11.517 7.331 -6.423
429 HA SER 52 HA SER 52 13.741 6.238 -8.104
430 1HB SER 52 HB2 SER 52 13.482 8.779 -8.045
431 2HB SER 52 HB3 SER 52 13.918 8.690 -6.339
432 HG SER 52 HG SER 52 15.911 8.317 -6.867
433 H SER 53 HN SER 53 13.030 7.363 -4.774
434 HA SER 53 HA SER 53 15.043 5.450 -3.746
435 1HB SER 53 HB2 SER 53 13.337 7.507 -2.309
436 2HB SER 53 HB3 SER 53 14.609 6.540 -1.564
437 HG SER 53 HG SER 53 16.034 7.471 -3.175
Start of MODEL 6
1 2H ASP 1 HN2 ASP 1 -7.901 3.377 10.810
2 3H ASP 1 HN3 ASP 1 -8.243 1.735 10.533
3 H ASP 1 HN ASP 1 -9.505 2.819 10.862
4 HA ASP 1 HA ASP 1 -8.790 4.050 8.779
5 1HB ASP 1 HB3 ASP 1 -6.692 2.304 8.886
6 2HB ASP 1 HB2 ASP 1 -7.761 1.477 7.752
7 H ASN 2 HN ASN 2 -9.183 1.957 6.637
8 HA ASN 2 HA ASN 2 -11.886 0.963 7.441
9 1HB ASN 2 HB3 ASN 2 -12.628 1.599 5.052
10 2HB ASN 2 HB2 ASN 2 -12.361 2.991 6.129
11 1HD2 ASN 2 HD2 ASN 2 -10.333 0.911 3.860
12 2HD2 ASN 2 HD2 ASN 2 -9.486 2.242 3.233
13 H TYR 3 HN TYR 3 -9.326 -0.464 7.206
14 HA TYR 3 HA TYR 3 -9.412 -1.927 4.677
15 1HB TYR 3 HB2 TYR 3 -8.109 -3.062 7.130
16 2HB TYR 3 HB3 TYR 3 -7.577 -3.147 5.457
17 HD1 TYR 3 HD1 TYR 3 -5.919 -2.369 7.944
18 HD2 TYR 3 HD2 TYR 3 -7.979 0.019 5.008
19 HE1 TYR 3 HE1 TYR 3 -4.384 -0.527 8.360
20 HE2 TYR 3 HE2 TYR 3 -6.427 1.875 5.446
21 HH TYR 3 HH TYR 3 -4.842 2.441 7.788
22 H ALA 4 HN ALA 4 -11.477 -1.894 7.239
23 HA ALA 4 HA ALA 4 -12.064 -4.799 7.119
24 1HB ALA 4 HB1 ALA 4 -12.135 -3.186 9.250
25 2HB ALA 4 HB2 ALA 4 -13.767 -2.875 8.655
26 3HB ALA 4 HB3 ALA 4 -13.280 -4.517 9.074
27 H ASP 5 HN ASP 5 -12.515 -2.537 5.011
28 HA ASP 5 HA ASP 5 -15.306 -3.367 4.361
29 1HB ASP 5 HB2 ASP 5 -15.186 -1.008 5.342
30 2HB ASP 5 HB3 ASP 5 -14.238 -0.560 3.923
31 H LEU 6 HN LEU 6 -12.593 -1.470 2.956
32 HA LEU 6 HA LEU 6 -13.101 -1.938 0.250
33 1HB LEU 6 HB3 LEU 6 -10.651 -1.564 -0.114
34 2HB LEU 6 HB2 LEU 6 -11.178 -0.551 1.225
35 HG LEU 6 HG LEU 6 -10.486 -2.433 2.740
36 1HD1 LEU 6 HD1 LEU 6 -8.414 -3.469 1.120
37 2HD1 LEU 6 HD1 LEU 6 -9.734 -4.346 1.892
38 3HD1 LEU 6 HD1 LEU 6 -9.939 -3.702 0.270
39 1HD2 LEU 6 HD2 LEU 6 -8.504 -0.883 1.068
40 2HD2 LEU 6 HD2 LEU 6 -9.164 -0.423 2.635
41 3HD2 LEU 6 HD2 LEU 6 -8.029 -1.769 2.515
42 H SER 7 HN SER 7 -11.901 -3.525 -1.189
43 HA SER 7 HA SER 7 -11.792 -6.250 0.035
44 1HB SER 7 HB2 SER 7 -13.831 -5.510 -1.560
45 2HB SER 7 HB3 SER 7 -12.628 -5.844 -2.839
46 HG SER 7 HG SER 7 -13.315 -7.815 -2.546
47 H ASP 8 HN ASP 8 -10.959 -7.579 -2.358
48 HA ASP 8 HA ASP 8 -8.165 -7.215 -2.225
49 1HB ASP 8 HB2 ASP 8 -9.288 -8.263 -4.780
50 2HB ASP 8 HB3 ASP 8 -7.950 -8.870 -3.810
51 H THR 9 HN THR 9 -10.282 -6.204 -4.966
52 HA THR 9 HA THR 9 -8.482 -4.925 -6.574
53 HB THR 9 HB THR 9 -11.234 -3.939 -5.776
54 HG1 THR 9 HG1 THR 9 -11.809 -5.273 -7.266
55 1HG2 THR 9 HG2 THR 9 -9.691 -2.070 -6.587
56 2HG2 THR 9 HG2 THR 9 -9.555 -2.958 -8.105
57 3HG2 THR 9 HG2 THR 9 -11.122 -2.344 -7.583
58 H GLU 10 HN GLU 10 -10.125 -3.174 -3.893
59 HA GLU 10 HA GLU 10 -8.601 -0.841 -3.991
60 1HB GLU 10 HB3 GLU 10 -9.459 -2.167 -1.426
61 2HB GLU 10 HB2 GLU 10 -9.113 -0.454 -1.683
62 1HG GLU 10 HG3 GLU 10 -11.316 -2.040 -3.032
63 2HG GLU 10 HG2 GLU 10 -11.541 -0.863 -1.742
64 H LEU 11 HN LEU 11 -7.767 -3.865 -2.284
65 HA LEU 11 HA LEU 11 -5.430 -2.927 -1.016
66 1HB LEU 11 HB3 LEU 11 -6.261 -5.241 -0.694
67 2HB LEU 11 HB2 LEU 11 -5.751 -5.635 -2.341
68 HG LEU 11 HG LEU 11 -3.653 -4.307 -0.827
69 1HD1 LEU 11 HD2 LEU 11 -3.574 -5.546 1.065
70 2HD1 LEU 11 HD2 LEU 11 -5.205 -6.089 0.682
71 3HD1 LEU 11 HD2 LEU 11 -3.817 -7.045 0.166
72 1HD2 LEU 11 HD1 LEU 11 -2.673 -6.700 -1.549
73 2HD2 LEU 11 HD1 LEU 11 -4.042 -6.610 -2.650
74 3HD2 LEU 11 HD1 LEU 11 -2.809 -5.355 -2.668
75 H THR 12 HN THR 12 -5.836 -4.261 -4.267
76 HA THR 12 HA THR 12 -3.098 -3.696 -5.038
77 HB THR 12 HB THR 12 -5.228 -3.996 -7.107
78 HG1 THR 12 HG1 THR 12 -5.802 -5.943 -6.484
79 1HG2 THR 12 HG2 THR 12 -2.873 -4.017 -7.736
80 2HG2 THR 12 HG2 THR 12 -2.529 -5.238 -6.504
81 3HG2 THR 12 HG2 THR 12 -3.506 -5.657 -7.915
82 H THR 13 HN THR 13 -6.085 -1.935 -4.945
83 HA THR 13 HA THR 13 -5.125 0.174 -6.737
84 HB THR 13 HB THR 13 -7.291 0.863 -4.885
85 HG1 THR 13 HG1 THR 13 -8.766 -0.563 -5.841
86 1HG2 THR 13 HG2 THR 13 -6.612 1.066 -7.773
87 2HG2 THR 13 HG2 THR 13 -8.322 1.122 -7.343
88 3HG2 THR 13 HG2 THR 13 -7.193 2.309 -6.660
89 H LEU 14 HN LEU 14 -4.435 -0.909 -3.682
90 HA LEU 14 HA LEU 14 -3.614 1.761 -2.698
91 1HB LEU 14 HB3 LEU 14 -4.439 -0.710 -1.161
92 2HB LEU 14 HB2 LEU 14 -3.764 0.732 -0.420
93 HG LEU 14 HG LEU 14 -6.287 0.697 -2.123
94 1HD1 LEU 14 HD2 LEU 14 -7.329 1.150 0.225
95 2HD1 LEU 14 HD2 LEU 14 -6.911 -0.506 -0.209
96 3HD1 LEU 14 HD2 LEU 14 -5.845 0.426 0.841
97 1HD2 LEU 14 HD1 LEU 14 -4.920 2.899 -1.822
98 2HD2 LEU 14 HD1 LEU 14 -6.645 2.934 -1.477
99 3HD2 LEU 14 HD1 LEU 14 -5.492 2.846 -0.151
100 H LEU 15 HN LEU 15 -2.679 -1.264 -3.858
101 HA LEU 15 HA LEU 15 0.027 -1.100 -2.637
102 1HB LEU 15 HB3 LEU 15 -1.827 -3.312 -3.192
103 2HB LEU 15 HB2 LEU 15 -0.198 -3.679 -3.791
104 HG LEU 15 HG LEU 15 -0.377 -4.357 -1.491
105 1HD1 LEU 15 HD2 LEU 15 1.420 -2.321 -2.553
106 2HD1 LEU 15 HD2 LEU 15 1.413 -2.366 -0.791
107 3HD1 LEU 15 HD2 LEU 15 1.814 -3.808 -1.712
108 1HD2 LEU 15 HD1 LEU 15 -1.491 -1.618 -1.186
109 2HD2 LEU 15 HD1 LEU 15 -1.800 -3.058 -0.217
110 3HD2 LEU 15 HD1 LEU 15 -0.346 -2.101 0.056
111 H ARG 16 HN ARG 16 -1.818 -0.511 -5.315
112 HA ARG 16 HA ARG 16 0.513 -0.608 -7.200
113 1HB ARG 16 HB3 ARG 16 -1.608 -2.007 -7.681
114 2HB ARG 16 HB2 ARG 16 -2.448 -0.489 -7.905
115 1HG ARG 16 HG3 ARG 16 0.054 -1.153 -9.473
116 2HG ARG 16 HG2 ARG 16 -1.547 -1.617 -10.023
117 1HD ARG 16 HD3 ARG 16 -1.683 1.129 -9.252
118 2HD ARG 16 HD2 ARG 16 -0.264 0.931 -10.279
119 HE ARG 16 HE ARG 16 -1.720 0.155 -12.059
120 1HH1 ARG 16 HH2 ARG 16 -3.060 2.606 -10.563
121 2HH1 ARG 16 HH2 ARG 16 -4.718 2.113 -10.667
122 1HH2 ARG 16 HH1 ARG 16 -3.967 -1.145 -11.590
123 2HH2 ARG 16 HH1 ARG 16 -5.231 -0.012 -11.248
124 H ARG 17 HN ARG 17 -2.039 1.357 -5.718
125 HA ARG 17 HA ARG 17 -1.632 3.579 -7.566
126 1HB ARG 17 HB2 ARG 17 -3.501 4.531 -6.629
127 2HB ARG 17 HB3 ARG 17 -3.809 2.858 -6.184
128 1HG ARG 17 HG2 ARG 17 -3.950 3.583 -4.053
129 2HG ARG 17 HG3 ARG 17 -2.218 3.860 -4.095
130 1HD ARG 17 HD3 ARG 17 -4.425 5.825 -4.805
131 2HD ARG 17 HD2 ARG 17 -3.346 5.907 -3.414
132 HE ARG 17 HE ARG 17 -1.510 6.528 -4.919
133 1HH1 ARG 17 HH2 ARG 17 -3.820 8.376 -5.654
134 2HH1 ARG 17 HH2 ARG 17 -3.778 8.296 -7.384
135 1HH2 ARG 17 HH1 ARG 17 -1.799 5.452 -7.472
136 2HH2 ARG 17 HH1 ARG 17 -2.635 6.643 -8.411
137 H TYR 18 HN TYR 18 -0.463 2.628 -4.377
138 HA TYR 18 HA TYR 18 0.870 5.257 -4.082
139 1HB TYR 18 HB2 TYR 18 0.575 2.846 -2.298
140 2HB TYR 18 HB3 TYR 18 1.884 3.982 -2.004
141 HD1 TYR 18 HD1 TYR 18 0.746 6.633 -2.454
142 HD2 TYR 18 HD2 TYR 18 -1.083 3.142 -0.738
143 HE1 TYR 18 HE1 TYR 18 -0.843 8.067 -1.213
144 HE2 TYR 18 HE2 TYR 18 -2.664 4.584 0.511
145 HH TYR 18 HH TYR 18 -3.353 6.653 0.888
146 H ASN 19 HN ASN 19 1.436 1.986 -5.062
147 HA ASN 19 HA ASN 19 3.212 1.170 -6.366
148 1HB ASN 19 HB3 ASN 19 3.612 3.611 -6.955
149 2HB ASN 19 HB2 ASN 19 4.797 3.636 -5.647
150 1HD2 ASN 19 HD2 ASN 19 4.995 0.515 -6.682
151 2HD2 ASN 19 HD2 ASN 19 6.181 0.675 -7.882
152 H ILE 20 HN ILE 20 2.753 0.398 -3.776
153 HA ILE 20 HA ILE 20 5.326 0.399 -2.287
154 HB ILE 20 HB ILE 20 2.602 -0.990 -1.940
155 1HG1 ILE 20 HG1 ILE 20 3.646 0.919 0.104
156 2HG1 ILE 20 HG1 ILE 20 3.091 1.608 -1.430
157 1HG2 ILE 20 HG2 ILE 20 3.277 -2.001 0.074
158 2HG2 ILE 20 HG2 ILE 20 4.674 -2.252 -0.974
159 3HG2 ILE 20 HG2 ILE 20 4.692 -0.963 0.233
160 1HD1 ILE 20 HD1 ILE 20 0.916 0.988 -1.082
161 2HD1 ILE 20 HD1 ILE 20 1.359 -0.459 -0.180
162 3HD1 ILE 20 HD1 ILE 20 1.418 1.122 0.602
163 HA PRO 21 HA PRO 21 6.887 -2.898 -4.677
164 1HB PRO 21 HB2 PRO 21 8.488 -4.127 -2.754
165 2HB PRO 21 HB3 PRO 21 8.949 -2.697 -3.695
166 1HG PRO 21 HG2 PRO 21 7.933 -2.873 -0.868
167 2HG PRO 21 HG3 PRO 21 9.119 -1.754 -1.563
168 1HD PRO 21 HD2 PRO 21 6.506 -1.047 -1.053
169 2HD PRO 21 HD3 PRO 21 7.470 -0.295 -2.334
170 H HIS 22 HN HIS 22 4.873 -3.908 -4.933
171 HA HIS 22 HA HIS 22 4.402 -6.269 -3.168
172 1HB HIS 22 HB3 HIS 22 2.080 -5.983 -3.380
173 2HB HIS 22 HB2 HIS 22 2.667 -4.351 -3.259
174 HD1 HIS 22 HD1 HIS 22 3.178 -3.155 -5.689
175 HD2 HIS 22 HD2 HIS 22 0.609 -6.425 -5.637
176 HE1 HIS 22 HE1 HIS 22 1.943 -3.117 -7.891
177 H GLY 23 HN GLY 23 3.714 -8.159 -4.254
178 1HA GLY 23 HA1 GLY 23 4.222 -8.179 -7.195
179 2HA GLY 23 HA2 GLY 23 4.610 -9.533 -6.134
180 HA PRO 24 HA PRO 24 0.389 -10.744 -7.108
181 1HB PRO 24 HB2 PRO 24 0.481 -13.150 -5.804
182 2HB PRO 24 HB3 PRO 24 1.187 -12.889 -7.403
183 1HG PRO 24 HG2 PRO 24 2.546 -13.170 -4.756
184 2HG PRO 24 HG3 PRO 24 3.164 -13.535 -6.373
185 1HD PRO 24 HD3 PRO 24 3.741 -11.204 -4.831
186 2HD PRO 24 HD2 PRO 24 4.121 -11.470 -6.554
187 H VAL 25 HN VAL 25 -1.444 -10.175 -5.899
188 HA VAL 25 HA VAL 25 -1.145 -9.661 -3.023
189 HB VAL 25 HB VAL 25 -3.646 -9.560 -4.755
190 1HG1 VAL 25 HG2 VAL 25 -4.627 -8.362 -2.905
191 2HG1 VAL 25 HG2 VAL 25 -3.959 -9.866 -2.274
192 3HG1 VAL 25 HG2 VAL 25 -3.090 -8.351 -2.041
193 1HG2 VAL 25 HG1 VAL 25 -1.697 -7.397 -3.852
194 2HG2 VAL 25 HG1 VAL 25 -2.013 -7.913 -5.512
195 3HG2 VAL 25 HG1 VAL 25 -3.265 -7.079 -4.596
196 H VAL 26 HN VAL 26 -0.610 -11.899 -2.403
197 HA VAL 26 HA VAL 26 -2.964 -13.739 -2.502
198 HB VAL 26 HB VAL 26 -1.322 -15.562 -2.162
199 1HG1 VAL 26 HG1 VAL 26 -1.219 -13.663 -4.453
200 2HG1 VAL 26 HG1 VAL 26 0.048 -14.889 -4.383
201 3HG1 VAL 26 HG1 VAL 26 -1.647 -15.375 -4.430
202 1HG2 VAL 26 HG2 VAL 26 1.034 -15.133 -2.104
203 2HG2 VAL 26 HG2 VAL 26 0.804 -13.435 -2.522
204 3HG2 VAL 26 HG2 VAL 26 0.315 -14.026 -0.934
205 H GLY 27 HN GLY 27 -2.818 -15.382 -0.583
206 1HA GLY 27 HA1 GLY 27 -3.446 -14.057 1.821
207 2HA GLY 27 HA2 GLY 27 -3.025 -15.759 1.713
208 H SER 28 HN SER 28 -0.474 -16.009 1.296
209 HA SER 28 HA SER 28 0.834 -15.347 3.666
210 1HB SER 28 HB3 SER 28 2.034 -15.879 0.936
211 2HB SER 28 HB2 SER 28 2.953 -15.851 2.440
212 HG SER 28 HG SER 28 2.406 -17.907 2.351
213 H THR 29 HN THR 29 0.164 -13.119 1.108
214 HA THR 29 HA THR 29 1.948 -11.183 2.499
215 HB THR 29 HB THR 29 2.385 -10.297 -0.007
216 HG1 THR 29 HG1 THR 29 2.637 -12.275 -1.299
217 1HG2 THR 29 HG2 THR 29 3.783 -12.632 1.341
218 2HG2 THR 29 HG2 THR 29 4.404 -11.850 -0.111
219 3HG2 THR 29 HG2 THR 29 4.246 -10.927 1.383
220 H ARG 30 HN ARG 30 -1.079 -11.802 1.935
221 HA ARG 30 HA ARG 30 -2.039 -9.441 0.566
222 1HB ARG 30 HB2 ARG 30 -3.128 -11.858 1.544
223 2HB ARG 30 HB3 ARG 30 -3.930 -10.572 2.437
224 1HG ARG 30 HG3 ARG 30 -3.706 -9.973 -0.421
225 2HG ARG 30 HG2 ARG 30 -4.629 -11.444 -0.094
226 1HD ARG 30 HD2 ARG 30 -6.070 -10.263 1.475
227 2HD ARG 30 HD3 ARG 30 -5.084 -8.808 1.344
228 HE ARG 30 HE ARG 30 -5.899 -9.275 -1.263
229 1HH1 ARG 30 HH1 ARG 30 -8.289 -10.642 -0.106
230 2HH1 ARG 30 HH1 ARG 30 -9.403 -9.331 0.098
231 1HH2 ARG 30 HH2 ARG 30 -6.975 -6.874 -0.177
232 2HH2 ARG 30 HH2 ARG 30 -8.660 -7.198 0.052
233 H ARG 31 HN ARG 31 -1.559 -10.420 3.939
234 HA ARG 31 HA ARG 31 -2.719 -8.076 5.109
235 1HB ARG 31 HB3 ARG 31 -2.447 -9.885 6.589
236 2HB ARG 31 HB2 ARG 31 -0.780 -10.163 6.087
237 1HG ARG 31 HG2 ARG 31 -0.168 -7.940 7.098
238 2HG ARG 31 HG3 ARG 31 -1.820 -7.809 7.702
239 1HD ARG 31 HD2 ARG 31 -1.261 -10.244 8.659
240 2HD ARG 31 HD3 ARG 31 0.393 -9.621 8.571
241 HE ARG 31 HE ARG 31 -1.180 -7.602 9.850
242 1HH1 ARG 31 HH1 ARG 31 -2.092 -10.537 10.747
243 2HH1 ARG 31 HH1 ARG 31 -1.288 -10.601 12.279
244 1HH2 ARG 31 HH2 ARG 31 0.698 -7.829 11.649
245 2HH2 ARG 31 HH2 ARG 31 0.291 -9.067 12.791
246 H LEU 32 HN LEU 32 0.663 -8.911 4.326
247 HA LEU 32 HA LEU 32 1.874 -6.578 5.279
248 1HB LEU 32 HB3 LEU 32 3.318 -8.323 4.455
249 2HB LEU 32 HB2 LEU 32 2.522 -8.341 2.886
250 HG LEU 32 HG LEU 32 3.370 -5.851 2.688
251 1HD1 LEU 32 HD1 LEU 32 5.740 -6.023 4.002
252 2HD1 LEU 32 HD1 LEU 32 4.321 -5.252 4.714
253 3HD1 LEU 32 HD1 LEU 32 4.720 -6.920 5.127
254 1HD2 LEU 32 HD2 LEU 32 4.191 -7.949 1.468
255 2HD2 LEU 32 HD2 LEU 32 5.297 -6.578 1.574
256 3HD2 LEU 32 HD2 LEU 32 5.508 -7.967 2.643
257 H TYR 33 HN TYR 33 -0.236 -7.098 2.581
258 HA TYR 33 HA TYR 33 0.471 -4.496 1.380
259 1HB TYR 33 HB2 TYR 33 -1.490 -6.643 0.524
260 2HB TYR 33 HB3 TYR 33 -1.294 -5.124 -0.336
261 HD1 TYR 33 HD1 TYR 33 1.626 -4.698 -0.130
262 HD2 TYR 33 HD2 TYR 33 -0.577 -8.300 -0.902
263 HE1 TYR 33 HE1 TYR 33 3.608 -5.673 -1.232
264 HE2 TYR 33 HE2 TYR 33 1.397 -9.246 -2.058
265 HH TYR 33 HH TYR 33 3.639 -9.023 -2.316
266 H GLU 34 HN GLU 34 -1.968 -5.968 3.389
267 HA GLU 34 HA GLU 34 -3.632 -3.540 3.268
268 1HB GLU 34 HB2 GLU 34 -5.235 -5.091 3.661
269 2HB GLU 34 HB3 GLU 34 -4.012 -6.327 3.940
270 1HG GLU 34 HG2 GLU 34 -5.277 -6.263 5.928
271 2HG GLU 34 HG3 GLU 34 -3.819 -5.365 6.314
272 H LYS 35 HN LYS 35 -0.767 -4.354 4.576
273 HA LYS 35 HA LYS 35 -1.302 -2.891 7.139
274 1HB LYS 35 HB3 LYS 35 -0.580 -4.995 7.782
275 2HB LYS 35 HB2 LYS 35 0.357 -5.226 6.323
276 1HG LYS 35 HG3 LYS 35 1.331 -3.096 8.189
277 2HG LYS 35 HG2 LYS 35 1.497 -4.761 8.742
278 1HD LYS 35 HD3 LYS 35 2.400 -5.095 6.243
279 2HD LYS 35 HD2 LYS 35 2.786 -3.385 6.418
280 1HE LYS 35 HE3 LYS 35 3.950 -5.748 7.816
281 2HE LYS 35 HE2 LYS 35 4.721 -4.245 7.308
282 1HZ LYS 35 HZ1 LYS 35 3.148 -4.791 9.734
283 2HZ LYS 35 HZ2 LYS 35 4.653 -4.019 9.579
284 3HZ LYS 35 HZ3 LYS 35 3.230 -3.210 9.125
285 H LYS 36 HN LYS 36 0.913 -3.245 4.409
286 HA LYS 36 HA LYS 36 2.917 -1.313 5.240
287 1HB LYS 36 HB2 LYS 36 1.961 -2.391 2.576
288 2HB LYS 36 HB3 LYS 36 3.164 -1.105 2.637
289 1HG LYS 36 HG3 LYS 36 3.495 -3.682 4.148
290 2HG LYS 36 HG2 LYS 36 4.039 -3.506 2.497
291 1HD LYS 36 HD3 LYS 36 4.932 -1.233 4.016
292 2HD LYS 36 HD2 LYS 36 5.388 -2.704 4.875
293 1HE LYS 36 HE2 LYS 36 6.181 -1.802 2.114
294 2HE LYS 36 HE3 LYS 36 7.206 -2.394 3.424
295 1HZ LYS 36 HZ1 LYS 36 5.567 -4.484 2.967
296 2HZ LYS 36 HZ2 LYS 36 5.775 -3.862 1.401
297 3HZ LYS 36 HZ3 LYS 36 7.127 -4.316 2.324
298 H ILE 37 HN ILE 37 0.078 -1.339 3.413
299 HA ILE 37 HA ILE 37 -0.319 1.236 2.506
300 HB ILE 37 HB ILE 37 -1.436 -1.173 2.332
301 1HG1 ILE 37 HG1 ILE 37 -1.841 0.810 0.827
302 2HG1 ILE 37 HG1 ILE 37 -3.300 -0.136 1.110
303 1HG2 ILE 37 HG2 ILE 37 -3.824 -0.914 3.308
304 2HG2 ILE 37 HG2 ILE 37 -2.541 -1.400 4.421
305 3HG2 ILE 37 HG2 ILE 37 -3.123 0.276 4.395
306 1HD1 ILE 37 HD1 ILE 37 -3.809 1.477 3.032
307 2HD1 ILE 37 HD1 ILE 37 -2.526 2.498 2.380
308 3HD1 ILE 37 HD1 ILE 37 -3.952 2.147 1.407
309 H PHE 38 HN PHE 38 0.036 0.430 5.771
310 HA PHE 38 HA PHE 38 -1.935 2.453 6.687
311 1HB PHE 38 HB2 PHE 38 -1.973 0.306 7.865
312 2HB PHE 38 HB3 PHE 38 -0.248 0.423 8.191
313 HD1 PHE 38 HD1 PHE 38 -3.590 1.766 9.047
314 HD2 PHE 38 HD2 PHE 38 0.623 1.912 9.884
315 HE1 PHE 38 HE1 PHE 38 -4.046 3.035 11.125
316 HE2 PHE 38 HE2 PHE 38 0.163 3.184 11.964
317 HZ PHE 38 HZ PHE 38 -2.170 3.745 12.584
318 H GLU 39 HN GLU 39 1.583 1.873 6.523
319 HA GLU 39 HA GLU 39 2.035 4.376 8.028
320 1HB GLU 39 HB3 GLU 39 4.385 3.642 8.017
321 2HB GLU 39 HB2 GLU 39 3.336 2.356 8.605
322 1HG GLU 39 HG3 GLU 39 3.687 2.357 5.689
323 2HG GLU 39 HG2 GLU 39 5.175 2.054 6.605
324 H TYR 40 HN TYR 40 2.205 3.079 4.747
325 HA TYR 40 HA TYR 40 3.937 4.892 3.513
326 1HB TYR 40 HB3 TYR 40 2.783 3.145 2.247
327 2HB TYR 40 HB2 TYR 40 1.245 3.951 2.461
328 HD1 TYR 40 HD1 TYR 40 4.104 3.642 0.362
329 HD2 TYR 40 HD2 TYR 40 1.128 6.441 1.678
330 HE1 TYR 40 HE1 TYR 40 4.560 5.062 -1.622
331 HE2 TYR 40 HE2 TYR 40 1.581 7.863 -0.298
332 HH TYR 40 HH TYR 40 4.301 7.338 -2.350
333 H GLU 41 HN GLU 41 0.537 5.386 4.385
334 HA GLU 41 HA GLU 41 0.315 8.058 3.414
335 1HB GLU 41 HB3 GLU 41 -1.151 6.401 5.459
336 2HB GLU 41 HB2 GLU 41 -1.538 8.117 5.268
337 1HG GLU 41 HG2 GLU 41 -2.157 7.810 2.987
338 2HG GLU 41 HG3 GLU 41 -1.420 6.216 2.919
339 H THR 42 HN THR 42 1.420 6.750 6.521
340 HA THR 42 HA THR 42 1.991 9.525 7.434
341 HB THR 42 HB THR 42 0.943 7.287 8.748
342 HG1 THR 42 HG1 THR 42 1.370 8.768 10.611
343 1HG2 THR 42 HG2 THR 42 3.459 6.606 8.909
344 2HG2 THR 42 HG2 THR 42 3.563 7.905 10.097
345 3HG2 THR 42 HG2 THR 42 2.470 6.547 10.369
346 H GLN 43 HN GLN 43 3.527 7.623 5.490
347 HA GLN 43 HA GLN 43 6.211 8.001 6.789
348 1HB GLN 43 HB2 GLN 43 5.322 5.822 4.858
349 2HB GLN 43 HB3 GLN 43 6.964 6.031 5.454
350 1HG GLN 43 HG3 GLN 43 4.664 5.683 7.410
351 2HG GLN 43 HG2 GLN 43 5.397 4.277 6.620
352 1HE2 GLN 43 HE2 GLN 43 7.973 6.630 6.893
353 2HE2 GLN 43 HE2 GLN 43 8.568 6.084 8.387
354 H ARG 44 HN ARG 44 4.186 8.673 4.092
355 HA ARG 44 HA ARG 44 6.361 10.208 2.751
356 1HB ARG 44 HB3 ARG 44 4.772 7.985 1.485
357 2HB ARG 44 HB2 ARG 44 5.744 9.135 0.564
358 1HG ARG 44 HG2 ARG 44 7.759 8.291 1.400
359 2HG ARG 44 HG3 ARG 44 6.999 7.619 2.828
360 1HD ARG 44 HD2 ARG 44 6.728 5.654 1.866
361 2HD ARG 44 HD3 ARG 44 5.775 6.401 0.580
362 HE ARG 44 HE ARG 44 8.536 6.907 -0.042
363 1HH1 ARG 44 HH1 ARG 44 8.236 3.987 1.166
364 2HH1 ARG 44 HH1 ARG 44 8.217 3.083 -0.312
365 1HH2 ARG 44 HH2 ARG 44 7.675 5.862 -2.314
366 2HH2 ARG 44 HH2 ARG 44 7.899 4.145 -2.282
367 H ARG 45 HN ARG 45 5.245 11.264 0.681
368 HA ARG 45 HA ARG 45 3.475 12.399 -0.356
369 1HB ARG 45 HB2 ARG 45 2.152 10.424 0.710
370 2HB ARG 45 HB3 ARG 45 1.741 11.590 1.947
371 1HG ARG 45 HG2 ARG 45 1.088 13.132 -0.040
372 2HG ARG 45 HG3 ARG 45 1.085 11.646 -0.988
373 1HD ARG 45 HD2 ARG 45 -0.718 12.460 1.278
374 2HD ARG 45 HD3 ARG 45 -1.140 11.726 -0.273
375 HE ARG 45 HE ARG 45 0.407 9.796 1.108
376 1HH1 ARG 45 HH2 ARG 45 -2.501 9.544 0.169
377 2HH1 ARG 45 HH2 ARG 45 -3.298 9.191 1.665
378 1HH2 ARG 45 HH1 ARG 45 -0.633 10.216 3.633
379 2HH2 ARG 45 HH1 ARG 45 -2.241 9.572 3.627
380 H ARG 46 HN ARG 46 3.131 12.496 3.230
381 HA ARG 46 HA ARG 46 3.672 15.418 3.133
382 1HB ARG 46 HB2 ARG 46 1.359 14.212 4.689
383 2HB ARG 46 HB3 ARG 46 1.741 15.923 4.513
384 1HG ARG 46 HG2 ARG 46 1.542 14.985 1.881
385 2HG ARG 46 HG3 ARG 46 0.235 14.166 2.734
386 1HD ARG 46 HD2 ARG 46 0.683 17.113 2.311
387 2HD ARG 46 HD3 ARG 46 -0.803 16.169 2.119
388 HE ARG 46 HE ARG 46 -0.093 16.067 4.911
389 1HH1 ARG 46 HH1 ARG 46 0.555 18.965 3.930
390 2HH1 ARG 46 HH1 ARG 46 -0.911 19.767 4.385
391 1HH2 ARG 46 HH2 ARG 46 -2.686 16.825 4.854
392 2HH2 ARG 46 HH2 ARG 46 -2.746 18.555 4.908
393 H LEU 47 HN LEU 47 5.707 14.792 4.087
394 HA LEU 47 HA LEU 47 5.836 14.902 6.898
395 1HB LEU 47 HB2 LEU 47 6.622 12.430 7.271
396 2HB LEU 47 HB3 LEU 47 4.884 12.721 7.166
397 HG LEU 47 HG LEU 47 5.509 12.319 4.525
398 1HD1 LEU 47 HD1 LEU 47 7.195 10.705 4.252
399 2HD1 LEU 47 HD1 LEU 47 7.875 11.665 5.566
400 3HD1 LEU 47 HD1 LEU 47 7.054 10.153 5.922
401 1HD2 LEU 47 HD2 LEU 47 4.105 10.502 4.768
402 2HD2 LEU 47 HD2 LEU 47 5.016 9.870 6.137
403 3HD2 LEU 47 HD2 LEU 47 3.881 11.193 6.375
404 H SER 48 HN SER 48 7.264 15.990 4.725
405 HA SER 48 HA SER 48 9.992 15.241 5.522
406 1HB SER 48 HB2 SER 48 8.980 13.933 3.342
407 2HB SER 48 HB3 SER 48 9.708 15.350 2.584
408 HG SER 48 HG SER 48 10.953 13.500 4.332
409 HA PRO 49 HA PRO 49 9.204 19.693 4.383
410 1HB PRO 49 HB3 PRO 49 9.505 20.703 6.926
411 2HB PRO 49 HB2 PRO 49 7.940 20.205 6.237
412 1HG PRO 49 HG2 PRO 49 9.649 18.820 8.264
413 2HG PRO 49 HG3 PRO 49 7.895 18.742 8.038
414 1HD PRO 49 HD3 PRO 49 9.782 16.786 7.189
415 2HD PRO 49 HD2 PRO 49 8.083 16.872 6.677
416 HA PRO 50 HA PRO 50 13.740 19.670 4.572
417 1HB PRO 50 HB2 PRO 50 14.048 21.313 2.387
418 2HB PRO 50 HB3 PRO 50 13.801 19.563 2.273
419 1HG PRO 50 HG2 PRO 50 11.868 21.787 1.749
420 2HG PRO 50 HG3 PRO 50 11.934 20.170 1.030
421 1HD PRO 50 HD3 PRO 50 10.167 20.994 3.083
422 2HD PRO 50 HD2 PRO 50 10.511 19.307 2.645
423 H SER 51 HN SER 51 12.184 22.734 3.479
424 HA SER 51 HA SER 51 13.655 24.114 5.728
425 1HB SER 51 HB2 SER 51 13.021 26.000 3.708
426 2HB SER 51 HB3 SER 51 14.619 25.402 4.152
427 HG SER 51 HG SER 51 14.651 24.336 2.365
428 H SER 52 HN SER 52 11.192 25.318 3.454
429 HA SER 52 HA SER 52 9.441 25.837 5.827
430 1HB SER 52 HB2 SER 52 10.407 27.586 3.745
431 2HB SER 52 HB3 SER 52 8.648 27.496 3.675
432 HG SER 52 HG SER 52 8.739 27.846 6.013
433 H SER 53 HN SER 53 9.111 25.595 2.262
434 HA SER 53 HA SER 53 7.047 23.509 2.637
435 1HB SER 53 HB2 SER 53 6.053 25.399 0.707
436 2HB SER 53 HB3 SER 53 5.285 24.837 2.192
437 HG SER 53 HG SER 53 5.663 27.098 2.195
Start of MODEL 7
1 2H ASP 1 HN2 ASP 1 -9.120 5.856 7.357
2 3H ASP 1 HN3 ASP 1 -10.623 5.148 7.005
3 H ASP 1 HN ASP 1 -9.561 5.550 5.745
4 HA ASP 1 HA ASP 1 -8.139 3.808 6.171
5 1HB ASP 1 HB3 ASP 1 -8.114 2.606 8.317
6 2HB ASP 1 HB2 ASP 1 -7.889 4.335 8.580
7 H ASN 2 HN ASN 2 -8.704 1.326 6.577
8 HA ASN 2 HA ASN 2 -11.267 0.274 6.706
9 1HB ASN 2 HB3 ASN 2 -11.756 0.071 4.143
10 2HB ASN 2 HB2 ASN 2 -12.122 1.644 4.885
11 1HD2 ASN 2 HD2 ASN 2 -9.081 0.060 3.527
12 2HD2 ASN 2 HD2 ASN 2 -8.649 1.432 2.628
13 H TYR 3 HN TYR 3 -8.701 -0.624 7.252
14 HA TYR 3 HA TYR 3 -7.679 -2.382 5.191
15 1HB TYR 3 HB2 TYR 3 -7.257 -3.029 8.089
16 2HB TYR 3 HB3 TYR 3 -6.094 -3.047 6.768
17 HD1 TYR 3 HD1 TYR 3 -6.835 -1.432 9.698
18 HD2 TYR 3 HD2 TYR 3 -5.934 -0.506 5.596
19 HE1 TYR 3 HE1 TYR 3 -6.093 0.837 10.371
20 HE2 TYR 3 HE2 TYR 3 -5.208 1.763 6.271
21 HH TYR 3 HH TYR 3 -4.301 2.839 8.407
22 H ALA 4 HN ALA 4 -10.404 -2.498 7.218
23 HA ALA 4 HA ALA 4 -10.619 -5.458 7.006
24 1HB ALA 4 HB1 ALA 4 -11.322 -4.972 9.150
25 2HB ALA 4 HB2 ALA 4 -11.881 -3.357 8.712
26 3HB ALA 4 HB3 ALA 4 -12.862 -4.768 8.316
27 H ASP 5 HN ASP 5 -12.606 -2.544 6.396
28 HA ASP 5 HA ASP 5 -14.322 -4.041 4.531
29 1HB ASP 5 HB2 ASP 5 -15.000 -2.062 6.117
30 2HB ASP 5 HB3 ASP 5 -14.337 -1.044 4.839
31 H LEU 6 HN LEU 6 -13.234 -4.540 2.646
32 HA LEU 6 HA LEU 6 -12.769 -2.653 0.645
33 1HB LEU 6 HB2 LEU 6 -10.652 -1.754 1.063
34 2HB LEU 6 HB3 LEU 6 -10.789 -2.427 2.680
35 HG LEU 6 HG LEU 6 -9.673 -4.027 0.384
36 1HD1 LEU 6 HD2 LEU 6 -8.504 -1.739 0.956
37 2HD1 LEU 6 HD2 LEU 6 -7.998 -2.575 2.420
38 3HD1 LEU 6 HD2 LEU 6 -7.509 -3.191 0.844
39 1HD2 LEU 6 HD1 LEU 6 -8.379 -4.864 2.552
40 2HD2 LEU 6 HD1 LEU 6 -9.877 -4.353 3.316
41 3HD2 LEU 6 HD1 LEU 6 -9.903 -5.566 2.033
42 H SER 7 HN SER 7 -12.293 -3.809 -1.264
43 HA SER 7 HA SER 7 -12.115 -6.756 -0.911
44 1HB SER 7 HB2 SER 7 -13.558 -5.000 -2.691
45 2HB SER 7 HB3 SER 7 -12.519 -6.096 -3.648
46 HG SER 7 HG SER 7 -14.190 -7.364 -3.298
47 H ASP 8 HN ASP 8 -10.901 -7.875 -2.832
48 HA ASP 8 HA ASP 8 -8.160 -7.319 -2.644
49 1HB ASP 8 HB3 ASP 8 -7.820 -8.845 -4.433
50 2HB ASP 8 HB2 ASP 8 -9.287 -9.390 -3.624
51 H THR 9 HN THR 9 -10.426 -6.290 -5.225
52 HA THR 9 HA THR 9 -8.684 -4.927 -6.887
53 HB THR 9 HB THR 9 -11.434 -4.033 -5.972
54 HG1 THR 9 HG1 THR 9 -11.633 -4.774 -8.350
55 1HG2 THR 9 HG2 THR 9 -9.868 -2.205 -6.936
56 2HG2 THR 9 HG2 THR 9 -9.977 -3.099 -8.453
57 3HG2 THR 9 HG2 THR 9 -11.432 -2.424 -7.724
58 H GLU 10 HN GLU 10 -10.204 -3.645 -3.897
59 HA GLU 10 HA GLU 10 -8.911 -1.112 -3.979
60 1HB GLU 10 HB3 GLU 10 -9.665 -2.644 -1.499
61 2HB GLU 10 HB2 GLU 10 -9.404 -0.899 -1.641
62 1HG GLU 10 HG3 GLU 10 -11.461 -2.405 -3.271
63 2HG GLU 10 HG2 GLU 10 -11.836 -1.644 -1.728
64 H LEU 11 HN LEU 11 -7.888 -4.164 -2.457
65 HA LEU 11 HA LEU 11 -5.569 -3.226 -1.162
66 1HB LEU 11 HB3 LEU 11 -6.312 -5.609 -1.091
67 2HB LEU 11 HB2 LEU 11 -5.763 -5.796 -2.760
68 HG LEU 11 HG LEU 11 -3.814 -4.565 -0.921
69 1HD1 LEU 11 HD2 LEU 11 -3.901 -6.166 0.670
70 2HD1 LEU 11 HD2 LEU 11 -5.194 -6.990 -0.197
71 3HD1 LEU 11 HD2 LEU 11 -3.513 -7.358 -0.566
72 1HD2 LEU 11 HD1 LEU 11 -2.650 -5.060 -2.770
73 2HD2 LEU 11 HD1 LEU 11 -2.665 -6.714 -2.195
74 3HD2 LEU 11 HD1 LEU 11 -3.879 -6.182 -3.348
75 H THR 12 HN THR 12 -5.974 -4.350 -4.457
76 HA THR 12 HA THR 12 -3.348 -3.603 -5.360
77 HB THR 12 HB THR 12 -5.543 -3.764 -7.346
78 HG1 THR 12 HG1 THR 12 -4.964 -5.838 -5.512
79 1HG2 THR 12 HG2 THR 12 -3.162 -3.894 -7.957
80 2HG2 THR 12 HG2 THR 12 -2.951 -5.270 -6.871
81 3HG2 THR 12 HG2 THR 12 -3.960 -5.426 -8.312
82 H THR 13 HN THR 13 -6.405 -1.920 -5.016
83 HA THR 13 HA THR 13 -5.498 0.313 -6.699
84 HB THR 13 HB THR 13 -7.661 0.924 -4.819
85 HG1 THR 13 HG1 THR 13 -9.042 -0.495 -6.290
86 1HG2 THR 13 HG2 THR 13 -8.201 0.783 -7.698
87 2HG2 THR 13 HG2 THR 13 -8.379 2.139 -6.577
88 3HG2 THR 13 HG2 THR 13 -6.798 1.777 -7.271
89 H LEU 14 HN LEU 14 -4.761 -0.895 -3.694
90 HA LEU 14 HA LEU 14 -4.037 1.771 -2.622
91 1HB LEU 14 HB3 LEU 14 -4.604 -0.807 -1.134
92 2HB LEU 14 HB2 LEU 14 -4.066 0.688 -0.374
93 HG LEU 14 HG LEU 14 -6.591 0.489 -2.065
94 1HD1 LEU 14 HD2 LEU 14 -7.151 -0.922 -0.295
95 2HD1 LEU 14 HD2 LEU 14 -6.118 -0.066 0.850
96 3HD1 LEU 14 HD2 LEU 14 -7.649 0.646 0.340
97 1HD2 LEU 14 HD1 LEU 14 -7.160 2.609 -1.234
98 2HD2 LEU 14 HD1 LEU 14 -6.043 2.496 0.123
99 3HD2 LEU 14 HD1 LEU 14 -5.427 2.766 -1.514
100 H LEU 15 HN LEU 15 -2.975 -1.134 -3.944
101 HA LEU 15 HA LEU 15 -0.221 -0.892 -2.819
102 1HB LEU 15 HB3 LEU 15 -2.038 -3.184 -3.430
103 2HB LEU 15 HB2 LEU 15 -0.329 -3.500 -3.793
104 HG LEU 15 HG LEU 15 -1.145 -4.031 -1.466
105 1HD1 LEU 15 HD2 LEU 15 1.251 -2.318 -2.118
106 2HD1 LEU 15 HD2 LEU 15 1.075 -3.146 -0.579
107 3HD1 LEU 15 HD2 LEU 15 1.176 -4.075 -2.071
108 1HD2 LEU 15 HD1 LEU 15 -1.295 -2.304 0.148
109 2HD2 LEU 15 HD1 LEU 15 -0.584 -1.118 -0.945
110 3HD2 LEU 15 HD1 LEU 15 -2.234 -1.682 -1.208
111 H ARG 16 HN ARG 16 -2.193 -0.374 -5.430
112 HA ARG 16 HA ARG 16 0.073 -0.450 -7.396
113 1HB ARG 16 HB2 ARG 16 -2.080 -1.944 -7.709
114 2HB ARG 16 HB3 ARG 16 -2.853 -0.438 -8.157
115 1HG ARG 16 HG2 ARG 16 -0.230 -1.069 -9.450
116 2HG ARG 16 HG3 ARG 16 -1.647 -1.967 -9.985
117 1HD ARG 16 HD3 ARG 16 -2.126 0.925 -9.698
118 2HD ARG 16 HD2 ARG 16 -0.919 0.521 -10.918
119 HE ARG 16 HE ARG 16 -2.620 -0.797 -12.083
120 1HH1 ARG 16 HH1 ARG 16 -3.914 1.884 -11.814
121 2HH1 ARG 16 HH1 ARG 16 -5.472 1.478 -11.177
122 1HH2 ARG 16 HH2 ARG 16 -4.532 -1.712 -10.195
123 2HH2 ARG 16 HH2 ARG 16 -5.822 -0.558 -10.260
124 H ARG 17 HN ARG 17 -2.358 1.493 -5.756
125 HA ARG 17 HA ARG 17 -2.215 3.653 -7.742
126 1HB ARG 17 HB2 ARG 17 -4.069 4.518 -6.693
127 2HB ARG 17 HB3 ARG 17 -4.236 2.866 -6.141
128 1HG ARG 17 HG2 ARG 17 -4.284 3.726 -4.063
129 2HG ARG 17 HG3 ARG 17 -2.553 3.996 -4.236
130 1HD ARG 17 HD3 ARG 17 -3.201 6.239 -5.367
131 2HD ARG 17 HD2 ARG 17 -4.820 5.956 -4.723
132 HE ARG 17 HE ARG 17 -3.867 6.153 -2.434
133 1HH1 ARG 17 HH1 ARG 17 -1.229 5.966 -4.472
134 2HH1 ARG 17 HH1 ARG 17 -0.418 7.367 -3.860
135 1HH2 ARG 17 HH2 ARG 17 -3.110 8.399 -1.935
136 2HH2 ARG 17 HH2 ARG 17 -1.484 8.746 -2.421
137 H TYR 18 HN TYR 18 -0.820 2.697 -4.725
138 HA TYR 18 HA TYR 18 0.516 5.326 -4.360
139 1HB TYR 18 HB3 TYR 18 0.075 2.928 -2.663
140 2HB TYR 18 HB2 TYR 18 1.626 3.692 -2.473
141 HD1 TYR 18 HD1 TYR 18 -1.534 3.582 -1.196
142 HD2 TYR 18 HD2 TYR 18 1.321 6.483 -2.530
143 HE1 TYR 18 HE1 TYR 18 -2.643 5.284 0.203
144 HE2 TYR 18 HE2 TYR 18 0.207 8.209 -1.134
145 HH TYR 18 HH TYR 18 -2.411 7.368 1.087
146 H ASN 19 HN ASN 19 1.019 2.115 -5.541
147 HA ASN 19 HA ASN 19 2.759 1.322 -6.911
148 1HB ASN 19 HB3 ASN 19 3.095 3.812 -7.435
149 2HB ASN 19 HB2 ASN 19 4.364 3.780 -6.209
150 1HD2 ASN 19 HD2 ASN 19 4.591 0.722 -7.280
151 2HD2 ASN 19 HD2 ASN 19 5.647 0.918 -8.592
152 H ILE 20 HN ILE 20 2.380 0.686 -4.192
153 HA ILE 20 HA ILE 20 4.977 0.693 -2.799
154 HB ILE 20 HB ILE 20 2.286 -0.771 -2.435
155 1HG1 ILE 20 HG1 ILE 20 3.420 0.832 -0.202
156 2HG1 ILE 20 HG1 ILE 20 2.928 1.774 -1.624
157 1HG2 ILE 20 HG2 ILE 20 3.054 -2.030 -0.667
158 2HG2 ILE 20 HG2 ILE 20 4.485 -2.053 -1.698
159 3HG2 ILE 20 HG2 ILE 20 4.401 -0.949 -0.323
160 1HD1 ILE 20 HD1 ILE 20 1.089 -0.354 -0.621
161 2HD1 ILE 20 HD1 ILE 20 1.193 1.164 0.271
162 3HD1 ILE 20 HD1 ILE 20 0.710 1.169 -1.422
163 HA PRO 21 HA PRO 21 6.609 -2.600 -5.179
164 1HB PRO 21 HB2 PRO 21 8.343 -3.672 -3.280
165 2HB PRO 21 HB3 PRO 21 8.700 -2.248 -4.274
166 1HG PRO 21 HG2 PRO 21 7.805 -2.392 -1.407
167 2HG PRO 21 HG3 PRO 21 8.894 -1.229 -2.182
168 1HD PRO 21 HD2 PRO 21 6.253 -0.675 -1.580
169 2HD PRO 21 HD3 PRO 21 7.137 0.123 -2.891
170 H HIS 22 HN HIS 22 4.663 -3.741 -5.317
171 HA HIS 22 HA HIS 22 4.332 -5.947 -3.327
172 1HB HIS 22 HB2 HIS 22 1.979 -5.754 -3.452
173 2HB HIS 22 HB3 HIS 22 2.524 -4.085 -3.355
174 HD1 HIS 22 HD1 HIS 22 2.551 -2.733 -5.661
175 HD2 HIS 22 HD2 HIS 22 0.786 -6.487 -5.815
176 HE1 HIS 22 HE1 HIS 22 1.356 -2.852 -7.884
177 H GLY 23 HN GLY 23 3.926 -7.984 -4.192
178 1HA GLY 23 HA1 GLY 23 4.069 -8.199 -7.160
179 2HA GLY 23 HA2 GLY 23 4.694 -9.415 -6.055
180 HA PRO 24 HA PRO 24 0.645 -11.254 -6.572
181 1HB PRO 24 HB3 PRO 24 1.023 -13.308 -4.767
182 2HB PRO 24 HB2 PRO 24 1.681 -13.346 -6.403
183 1HG PRO 24 HG2 PRO 24 3.067 -12.847 -3.807
184 2HG PRO 24 HG3 PRO 24 3.718 -13.510 -5.313
185 1HD PRO 24 HD3 PRO 24 4.085 -10.870 -4.380
186 2HD PRO 24 HD2 PRO 24 4.393 -11.451 -6.036
187 H VAL 25 HN VAL 25 -1.244 -10.608 -5.566
188 HA VAL 25 HA VAL 25 -1.139 -9.787 -2.716
189 HB VAL 25 HB VAL 25 -3.441 -9.595 -4.696
190 1HG1 VAL 25 HG2 VAL 25 -4.233 -9.599 -2.422
191 2HG1 VAL 25 HG2 VAL 25 -2.967 -8.477 -1.928
192 3HG1 VAL 25 HG2 VAL 25 -4.262 -7.932 -2.993
193 1HG2 VAL 25 HG1 VAL 25 -1.435 -8.218 -5.309
194 2HG2 VAL 25 HG1 VAL 25 -2.845 -7.242 -4.916
195 3HG2 VAL 25 HG1 VAL 25 -1.541 -7.413 -3.741
196 H VAL 26 HN VAL 26 -0.864 -12.055 -1.975
197 HA VAL 26 HA VAL 26 -3.421 -13.601 -2.147
198 HB VAL 26 HB VAL 26 -2.002 -15.627 -1.788
199 1HG1 VAL 26 HG1 VAL 26 -1.693 -13.804 -4.147
200 2HG1 VAL 26 HG1 VAL 26 -0.748 -15.293 -4.096
201 3HG1 VAL 26 HG1 VAL 26 -2.509 -15.363 -4.039
202 1HG2 VAL 26 HG2 VAL 26 -0.126 -13.965 -0.826
203 2HG2 VAL 26 HG2 VAL 26 0.294 -15.514 -1.558
204 3HG2 VAL 26 HG2 VAL 26 0.420 -14.031 -2.502
205 H GLY 27 HN GLY 27 -3.383 -15.318 -0.230
206 1HA GLY 27 HA1 GLY 27 -3.889 -13.947 2.175
207 2HA GLY 27 HA2 GLY 27 -3.602 -15.679 2.072
208 H SER 28 HN SER 28 -1.040 -16.084 1.613
209 HA SER 28 HA SER 28 0.299 -15.463 3.997
210 1HB SER 28 HB3 SER 28 1.473 -16.141 1.283
211 2HB SER 28 HB2 SER 28 2.386 -16.128 2.790
212 HG SER 28 HG SER 28 1.715 -18.119 2.881
213 H THR 29 HN THR 29 -0.282 -13.324 1.366
214 HA THR 29 HA THR 29 1.566 -11.377 2.650
215 HB THR 29 HB THR 29 1.937 -10.633 0.066
216 HG1 THR 29 HG1 THR 29 1.321 -12.117 -1.245
217 1HG2 THR 29 HG2 THR 29 3.992 -12.112 0.043
218 2HG2 THR 29 HG2 THR 29 3.820 -11.138 1.503
219 3HG2 THR 29 HG2 THR 29 3.405 -12.856 1.528
220 H ARG 30 HN ARG 30 -1.360 -11.734 2.669
221 HA ARG 30 HA ARG 30 -2.422 -9.642 0.951
222 1HB ARG 30 HB2 ARG 30 -3.427 -11.775 2.676
223 2HB ARG 30 HB3 ARG 30 -4.331 -10.279 2.848
224 1HG ARG 30 HG3 ARG 30 -3.706 -10.988 0.056
225 2HG ARG 30 HG2 ARG 30 -4.764 -12.139 0.878
226 1HD ARG 30 HD2 ARG 30 -6.368 -10.446 1.402
227 2HD ARG 30 HD3 ARG 30 -5.241 -9.148 1.012
228 HE ARG 30 HE ARG 30 -5.491 -10.511 -1.381
229 1HH1 ARG 30 HH2 ARG 30 -6.868 -7.878 -0.111
230 2HH1 ARG 30 HH2 ARG 30 -8.439 -8.068 -0.817
231 1HH2 ARG 30 HH1 ARG 30 -7.869 -11.326 -1.857
232 2HH2 ARG 30 HH1 ARG 30 -9.007 -10.020 -1.805
233 H ARG 31 HN ARG 31 -2.391 -10.160 4.494
234 HA ARG 31 HA ARG 31 -3.164 -7.566 5.247
235 1HB ARG 31 HB2 ARG 31 -3.068 -9.284 6.918
236 2HB ARG 31 HB3 ARG 31 -1.354 -9.563 6.626
237 1HG ARG 31 HG2 ARG 31 -1.543 -6.826 7.227
238 2HG ARG 31 HG3 ARG 31 -2.618 -7.623 8.373
239 1HD ARG 31 HD2 ARG 31 0.328 -8.148 7.907
240 2HD ARG 31 HD3 ARG 31 -0.457 -7.615 9.400
241 HE ARG 31 HE ARG 31 -1.598 -10.154 8.670
242 1HH1 ARG 31 HH2 ARG 31 -0.060 -9.119 11.224
243 2HH1 ARG 31 HH2 ARG 31 1.142 -10.359 11.350
244 1HH2 ARG 31 HH1 ARG 31 0.586 -11.590 8.156
245 2HH2 ARG 31 HH1 ARG 31 1.508 -11.759 9.613
246 H LEU 32 HN LEU 32 0.160 -8.792 4.763
247 HA LEU 32 HA LEU 32 1.634 -6.584 5.476
248 1HB LEU 32 HB3 LEU 32 2.853 -8.488 4.650
249 2HB LEU 32 HB2 LEU 32 2.024 -8.432 3.095
250 HG LEU 32 HG LEU 32 3.099 -6.082 2.782
251 1HD1 LEU 32 HD1 LEU 32 5.260 -5.899 4.127
252 2HD1 LEU 32 HD1 LEU 32 3.784 -5.642 5.061
253 3HD1 LEU 32 HD1 LEU 32 4.636 -7.184 5.159
254 1HD2 LEU 32 HD2 LEU 32 3.874 -8.096 1.597
255 2HD2 LEU 32 HD2 LEU 32 5.192 -6.993 2.000
256 3HD2 LEU 32 HD2 LEU 32 4.950 -8.464 2.947
257 H TYR 33 HN TYR 33 -0.297 -6.999 2.529
258 HA TYR 33 HA TYR 33 0.706 -4.526 1.373
259 1HB TYR 33 HB2 TYR 33 -1.548 -6.386 0.618
260 2HB TYR 33 HB3 TYR 33 -1.204 -4.925 -0.275
261 HD1 TYR 33 HD1 TYR 33 -0.860 -8.187 -0.720
262 HD2 TYR 33 HD2 TYR 33 1.739 -4.800 -0.253
263 HE1 TYR 33 HE1 TYR 33 0.946 -9.389 -1.926
264 HE2 TYR 33 HE2 TYR 33 3.538 -6.023 -1.424
265 HH TYR 33 HH TYR 33 3.706 -9.131 -1.765
266 H GLU 34 HN GLU 34 -2.364 -5.483 2.943
267 HA GLU 34 HA GLU 34 -3.421 -2.786 2.809
268 1HB GLU 34 HB3 GLU 34 -4.258 -5.385 3.875
269 2HB GLU 34 HB2 GLU 34 -4.718 -4.039 4.915
270 1HG GLU 34 HG3 GLU 34 -5.340 -4.348 1.970
271 2HG GLU 34 HG2 GLU 34 -6.495 -4.400 3.302
272 H LYS 35 HN LYS 35 -0.913 -4.094 4.533
273 HA LYS 35 HA LYS 35 -1.337 -2.250 6.845
274 1HB LYS 35 HB3 LYS 35 -1.096 -4.399 7.696
275 2HB LYS 35 HB2 LYS 35 -0.037 -4.900 6.398
276 1HG LYS 35 HG2 LYS 35 1.132 -2.775 8.096
277 2HG LYS 35 HG3 LYS 35 0.785 -4.262 8.976
278 1HD LYS 35 HD2 LYS 35 1.908 -5.301 6.742
279 2HD LYS 35 HD3 LYS 35 2.738 -3.751 6.790
280 1HE LYS 35 HE3 LYS 35 2.935 -6.072 8.641
281 2HE LYS 35 HE2 LYS 35 4.162 -4.892 8.179
282 1HZ LYS 35 HZ1 LYS 35 3.748 -4.310 10.340
283 2HZ LYS 35 HZ2 LYS 35 2.667 -3.280 9.529
284 3HZ LYS 35 HZ3 LYS 35 2.101 -4.704 10.263
285 H LYS 36 HN LYS 36 0.752 -3.101 4.223
286 HA LYS 36 HA LYS 36 3.151 -1.636 4.997
287 1HB LYS 36 HB2 LYS 36 1.954 -2.467 2.334
288 2HB LYS 36 HB3 LYS 36 3.418 -1.491 2.391
289 1HG LYS 36 HG2 LYS 36 3.448 -3.921 4.106
290 2HG LYS 36 HG3 LYS 36 3.378 -4.226 2.380
291 1HD LYS 36 HD2 LYS 36 5.699 -4.119 2.862
292 2HD LYS 36 HD3 LYS 36 5.309 -2.567 2.127
293 1HE LYS 36 HE2 LYS 36 4.944 -1.786 4.608
294 2HE LYS 36 HE3 LYS 36 5.934 -3.191 5.008
295 1HZ LYS 36 HZ1 LYS 36 7.056 -1.744 2.845
296 2HZ LYS 36 HZ2 LYS 36 6.811 -0.716 4.175
297 3HZ LYS 36 HZ3 LYS 36 7.741 -2.128 4.348
298 H ILE 37 HN ILE 37 0.296 -1.150 3.276
299 HA ILE 37 HA ILE 37 0.374 1.496 2.388
300 HB ILE 37 HB ILE 37 -1.116 -0.725 2.123
301 1HG1 ILE 37 HG1 ILE 37 -1.082 1.450 0.730
302 2HG1 ILE 37 HG1 ILE 37 -2.584 0.536 0.717
303 1HG2 ILE 37 HG2 ILE 37 -2.264 -0.716 4.220
304 2HG2 ILE 37 HG2 ILE 37 -2.654 1.005 4.081
305 3HG2 ILE 37 HG2 ILE 37 -3.439 -0.159 3.025
306 1HD1 ILE 37 HD1 ILE 37 -1.962 3.011 2.355
307 2HD1 ILE 37 HD1 ILE 37 -3.151 2.859 1.063
308 3HD1 ILE 37 HD1 ILE 37 -3.404 2.021 2.594
309 H PHE 38 HN PHE 38 0.627 0.621 5.609
310 HA PHE 38 HA PHE 38 -1.178 2.767 6.572
311 1HB PHE 38 HB3 PHE 38 -1.011 0.337 7.549
312 2HB PHE 38 HB2 PHE 38 0.415 0.953 8.366
313 HD1 PHE 38 HD1 PHE 38 -2.860 0.280 8.938
314 HD2 PHE 38 HD2 PHE 38 -0.147 3.596 9.226
315 HE1 PHE 38 HE1 PHE 38 -4.308 1.320 10.660
316 HE2 PHE 38 HE2 PHE 38 -1.599 4.636 10.942
317 HZ PHE 38 HZ PHE 38 -3.679 3.498 11.661
318 H GLU 39 HN GLU 39 2.254 1.707 6.984
319 HA GLU 39 HA GLU 39 3.024 4.210 8.253
320 1HB GLU 39 HB3 GLU 39 4.612 1.962 6.987
321 2HB GLU 39 HB2 GLU 39 5.386 3.409 7.639
322 1HG GLU 39 HG3 GLU 39 4.954 2.835 9.796
323 2HG GLU 39 HG2 GLU 39 3.355 2.167 9.350
324 H TYR 40 HN TYR 40 2.736 3.028 5.056
325 HA TYR 40 HA TYR 40 4.415 4.718 3.583
326 1HB TYR 40 HB2 TYR 40 2.817 2.937 2.676
327 2HB TYR 40 HB3 TYR 40 1.563 4.172 2.738
328 HD1 TYR 40 HD1 TYR 40 1.688 6.172 1.314
329 HD2 TYR 40 HD2 TYR 40 4.670 3.089 1.105
330 HE1 TYR 40 HE1 TYR 40 2.522 7.125 -0.815
331 HE2 TYR 40 HE2 TYR 40 5.506 4.039 -1.027
332 HH TYR 40 HH TYR 40 4.488 5.485 -2.917
333 H GLU 41 HN GLU 41 1.557 5.549 5.385
334 HA GLU 41 HA GLU 41 1.729 8.342 4.319
335 1HB GLU 41 HB3 GLU 41 -0.540 6.609 5.164
336 2HB GLU 41 HB2 GLU 41 -0.654 8.321 5.584
337 1HG GLU 41 HG3 GLU 41 0.296 8.275 2.940
338 2HG GLU 41 HG2 GLU 41 -0.962 7.041 2.997
339 H THR 42 HN THR 42 0.985 6.550 7.353
340 HA THR 42 HA THR 42 1.179 8.778 9.097
341 HB THR 42 HB THR 42 2.047 5.974 9.821
342 HG1 THR 42 HG1 THR 42 -0.049 5.430 9.939
343 1HG2 THR 42 HG2 THR 42 1.448 6.562 12.012
344 2HG2 THR 42 HG2 THR 42 2.194 8.039 11.401
345 3HG2 THR 42 HG2 THR 42 0.436 7.903 11.475
346 H GLN 43 HN GLN 43 3.640 7.234 7.310
347 HA GLN 43 HA GLN 43 5.764 8.228 9.138
348 1HB GLN 43 HB2 GLN 43 5.861 6.402 6.713
349 2HB GLN 43 HB3 GLN 43 7.296 6.973 7.559
350 1HG GLN 43 HG2 GLN 43 5.032 5.393 8.858
351 2HG GLN 43 HG3 GLN 43 6.565 4.691 8.313
352 1HE2 GLN 43 HE2 GLN 43 7.541 7.810 9.404
353 2HE2 GLN 43 HE2 GLN 43 7.837 7.389 11.023
354 H ARG 44 HN ARG 44 4.632 8.387 5.786
355 HA ARG 44 HA ARG 44 5.345 11.180 5.550
356 1HB ARG 44 HB2 ARG 44 6.901 10.517 3.473
357 2HB ARG 44 HB3 ARG 44 7.564 10.700 5.098
358 1HG ARG 44 HG3 ARG 44 7.145 8.215 5.426
359 2HG ARG 44 HG2 ARG 44 6.776 8.130 3.704
360 1HD ARG 44 HD2 ARG 44 9.368 9.301 4.747
361 2HD ARG 44 HD3 ARG 44 9.191 7.580 4.375
362 HE ARG 44 HE ARG 44 8.268 9.057 2.080
363 1HH1 ARG 44 HH1 ARG 44 11.020 9.918 3.729
364 2HH1 ARG 44 HH1 ARG 44 12.141 9.485 2.481
365 1HH2 ARG 44 HH2 ARG 44 9.768 7.856 0.547
366 2HH2 ARG 44 HH2 ARG 44 11.432 8.318 0.679
367 H ARG 45 HN ARG 45 5.192 11.658 2.937
368 HA ARG 45 HA ARG 45 3.065 9.892 1.830
369 1HB ARG 45 HB3 ARG 45 1.613 11.492 2.593
370 2HB ARG 45 HB2 ARG 45 2.859 12.714 2.731
371 1HG ARG 45 HG2 ARG 45 1.485 13.555 1.029
372 2HG ARG 45 HG3 ARG 45 2.778 12.784 0.130
373 1HD ARG 45 HD2 ARG 45 0.513 12.232 -0.760
374 2HD ARG 45 HD3 ARG 45 1.402 10.800 -0.239
375 HE ARG 45 HE ARG 45 -0.132 11.689 1.996
376 1HH1 ARG 45 HH1 ARG 45 -0.367 10.151 -1.078
377 2HH1 ARG 45 HH1 ARG 45 -1.972 9.559 -0.807
378 1HH2 ARG 45 HH2 ARG 45 -2.298 11.073 2.292
379 2HH2 ARG 45 HH2 ARG 45 -3.064 10.079 1.099
380 H ARG 46 HN ARG 46 4.871 12.957 1.011
381 HA ARG 46 HA ARG 46 5.821 11.573 -1.449
382 1HB ARG 46 HB2 ARG 46 4.637 14.376 -1.436
383 2HB ARG 46 HB3 ARG 46 5.274 13.523 -2.839
384 1HG ARG 46 HG2 ARG 46 3.375 11.757 -1.797
385 2HG ARG 46 HG3 ARG 46 2.638 13.342 -1.585
386 1HD ARG 46 HD2 ARG 46 3.171 13.848 -3.998
387 2HD ARG 46 HD3 ARG 46 3.691 12.164 -4.180
388 HE ARG 46 HE ARG 46 1.031 12.162 -3.036
389 1HH1 ARG 46 HH1 ARG 46 1.661 10.479 -5.359
390 2HH1 ARG 46 HH1 ARG 46 0.807 11.248 -6.656
391 1HH2 ARG 46 HH2 ARG 46 0.405 14.248 -4.964
392 2HH2 ARG 46 HH2 ARG 46 0.096 13.381 -6.431
393 H LEU 47 HN LEU 47 5.996 14.605 0.435
394 HA LEU 47 HA LEU 47 7.910 15.724 1.274
395 1HB LEU 47 HB2 LEU 47 9.559 13.469 0.074
396 2HB LEU 47 HB3 LEU 47 10.020 14.552 1.386
397 HG LEU 47 HG LEU 47 7.513 13.196 1.980
398 1HD1 LEU 47 HD1 LEU 47 8.374 10.920 2.180
399 2HD1 LEU 47 HD1 LEU 47 8.573 11.448 0.506
400 3HD1 LEU 47 HD1 LEU 47 9.959 11.434 1.596
401 1HD2 LEU 47 HD2 LEU 47 8.383 13.403 4.049
402 2HD2 LEU 47 HD2 LEU 47 9.833 12.504 3.599
403 3HD2 LEU 47 HD2 LEU 47 9.743 14.240 3.302
404 H SER 48 HN SER 48 6.882 15.602 -1.681
405 HA SER 48 HA SER 48 7.369 16.973 -3.574
406 1HB SER 48 HB2 SER 48 9.950 17.817 -2.281
407 2HB SER 48 HB3 SER 48 8.873 18.743 -3.327
408 HG SER 48 HG SER 48 7.991 19.450 -1.581
409 HA PRO 49 HA PRO 49 10.532 13.693 -4.608
410 1HB PRO 49 HB3 PRO 49 8.811 12.005 -5.936
411 2HB PRO 49 HB2 PRO 49 9.183 11.871 -4.200
412 1HG PRO 49 HG2 PRO 49 6.718 12.910 -5.540
413 2HG PRO 49 HG3 PRO 49 6.896 12.168 -3.942
414 1HD PRO 49 HD3 PRO 49 6.652 14.953 -4.480
415 2HD PRO 49 HD2 PRO 49 7.156 14.240 -2.932
416 HA PRO 50 HA PRO 50 10.281 15.949 -8.538
417 1HB PRO 50 HB2 PRO 50 12.990 15.848 -9.012
418 2HB PRO 50 HB3 PRO 50 12.218 17.066 -7.983
419 1HG PRO 50 HG2 PRO 50 13.819 14.662 -7.200
420 2HG PRO 50 HG3 PRO 50 13.627 16.204 -6.350
421 1HD PRO 50 HD3 PRO 50 12.296 13.784 -5.715
422 2HD PRO 50 HD2 PRO 50 11.829 15.396 -5.132
423 H SER 51 HN SER 51 12.932 13.521 -8.488
424 HA SER 51 HA SER 51 11.429 11.954 -10.573
425 1HB SER 51 HB2 SER 51 14.201 11.840 -11.205
426 2HB SER 51 HB3 SER 51 12.905 12.557 -12.163
427 HG SER 51 HG SER 51 13.483 14.473 -11.529
428 H SER 52 HN SER 52 14.704 11.757 -9.139
429 HA SER 52 HA SER 52 13.914 9.091 -8.030
430 1HB SER 52 HB2 SER 52 15.530 9.105 -10.035
431 2HB SER 52 HB3 SER 52 16.710 9.805 -8.926
432 HG SER 52 HG SER 52 17.025 7.687 -8.687
433 H SER 53 HN SER 53 15.671 12.096 -7.573
434 HA SER 53 HA SER 53 15.448 12.029 -4.740
435 1HB SER 53 HB2 SER 53 18.185 11.816 -4.651
436 2HB SER 53 HB3 SER 53 17.069 10.506 -4.263
437 HG SER 53 HG SER 53 18.468 11.011 -6.651
Start of MODEL 8
1 2H ASP 1 HN2 ASP 1 -7.827 2.163 10.223
2 3H ASP 1 HN3 ASP 1 -6.576 2.835 9.288
3 H ASP 1 HN ASP 1 -7.345 1.413 8.776
4 HA ASP 1 HA ASP 1 -8.923 3.867 9.164
5 1HB ASP 1 HB3 ASP 1 -6.719 3.837 7.497
6 2HB ASP 1 HB2 ASP 1 -8.025 3.354 6.415
7 H ASN 2 HN ASN 2 -8.384 1.523 6.524
8 HA ASN 2 HA ASN 2 -10.974 0.230 7.134
9 1HB ASN 2 HB3 ASN 2 -11.844 0.648 4.813
10 2HB ASN 2 HB2 ASN 2 -11.592 2.191 5.672
11 1HD2 ASN 2 HD2 ASN 2 -10.320 0.114 2.996
12 2HD2 ASN 2 HD2 ASN 2 -9.262 1.300 2.401
13 H TYR 3 HN TYR 3 -8.491 -0.917 7.365
14 HA TYR 3 HA TYR 3 -7.980 -2.404 4.851
15 1HB TYR 3 HB3 TYR 3 -6.553 -3.156 7.391
16 2HB TYR 3 HB2 TYR 3 -5.844 -2.939 5.795
17 HD1 TYR 3 HD1 TYR 3 -5.570 -1.725 8.927
18 HD2 TYR 3 HD2 TYR 3 -6.489 -0.239 5.001
19 HE1 TYR 3 HE1 TYR 3 -4.857 0.534 9.616
20 HE2 TYR 3 HE2 TYR 3 -5.763 2.023 5.689
21 HH TYR 3 HH TYR 3 -4.952 3.274 7.323
22 H ALA 4 HN ALA 4 -10.479 -2.691 6.456
23 HA ALA 4 HA ALA 4 -10.344 -5.650 6.773
24 1HB ALA 4 HB1 ALA 4 -11.844 -5.455 8.762
25 2HB ALA 4 HB2 ALA 4 -10.259 -4.731 9.033
26 3HB ALA 4 HB3 ALA 4 -11.652 -3.704 8.697
27 H ASP 5 HN ASP 5 -11.619 -3.204 5.074
28 HA ASP 5 HA ASP 5 -14.240 -4.610 4.736
29 1HB ASP 5 HB3 ASP 5 -13.635 -1.630 4.544
30 2HB ASP 5 HB2 ASP 5 -15.152 -2.355 4.013
31 H LEU 6 HN LEU 6 -12.017 -2.349 3.074
32 HA LEU 6 HA LEU 6 -12.776 -2.737 0.414
33 1HB LEU 6 HB3 LEU 6 -10.391 -2.181 -0.151
34 2HB LEU 6 HB2 LEU 6 -10.878 -1.250 1.261
35 HG LEU 6 HG LEU 6 -9.953 -3.175 2.629
36 1HD1 LEU 6 HD1 LEU 6 -7.911 -3.852 0.768
37 2HD1 LEU 6 HD1 LEU 6 -9.011 -4.921 1.635
38 3HD1 LEU 6 HD1 LEU 6 -9.483 -4.250 0.081
39 1HD2 LEU 6 HD2 LEU 6 -7.561 -2.268 2.212
40 2HD2 LEU 6 HD2 LEU 6 -8.328 -1.234 1.007
41 3HD2 LEU 6 HD2 LEU 6 -8.799 -1.114 2.704
42 H SER 7 HN SER 7 -11.643 -4.167 -1.219
43 HA SER 7 HA SER 7 -11.236 -6.925 -0.142
44 1HB SER 7 HB2 SER 7 -13.345 -6.127 -1.711
45 2HB SER 7 HB3 SER 7 -12.157 -6.599 -2.961
46 HG SER 7 HG SER 7 -12.346 -8.611 -2.384
47 H ASP 8 HN ASP 8 -10.340 -8.190 -2.422
48 HA ASP 8 HA ASP 8 -7.607 -7.582 -2.491
49 1HB ASP 8 HB2 ASP 8 -8.840 -8.718 -4.965
50 2HB ASP 8 HB3 ASP 8 -7.363 -9.191 -4.135
51 H THR 9 HN THR 9 -9.970 -6.695 -5.068
52 HA THR 9 HA THR 9 -8.346 -5.280 -6.764
53 HB THR 9 HB THR 9 -11.134 -4.578 -5.819
54 HG1 THR 9 HG1 THR 9 -10.660 -6.448 -7.161
55 1HG2 THR 9 HG2 THR 9 -10.933 -2.534 -6.755
56 2HG2 THR 9 HG2 THR 9 -9.259 -2.865 -7.202
57 3HG2 THR 9 HG2 THR 9 -10.570 -3.309 -8.295
58 H GLU 10 HN GLU 10 -10.018 -3.629 -4.025
59 HA GLU 10 HA GLU 10 -8.619 -1.223 -4.131
60 1HB GLU 10 HB3 GLU 10 -9.293 -2.642 -1.557
61 2HB GLU 10 HB2 GLU 10 -9.074 -0.906 -1.796
62 1HG GLU 10 HG3 GLU 10 -11.232 -2.635 -3.021
63 2HG GLU 10 HG2 GLU 10 -11.457 -1.410 -1.778
64 H LEU 11 HN LEU 11 -7.540 -4.268 -2.634
65 HA LEU 11 HA LEU 11 -5.219 -3.283 -1.358
66 1HB LEU 11 HB2 LEU 11 -5.947 -5.685 -1.237
67 2HB LEU 11 HB3 LEU 11 -5.375 -5.898 -2.895
68 HG LEU 11 HG LEU 11 -3.467 -4.593 -1.071
69 1HD1 LEU 11 HD2 LEU 11 -3.122 -7.374 -0.638
70 2HD1 LEU 11 HD2 LEU 11 -3.516 -6.143 0.560
71 3HD1 LEU 11 HD2 LEU 11 -4.803 -7.003 -0.273
72 1HD2 LEU 11 HD1 LEU 11 -2.079 -6.533 -2.201
73 2HD2 LEU 11 HD1 LEU 11 -3.446 -6.566 -3.311
74 3HD2 LEU 11 HD1 LEU 11 -2.507 -5.090 -3.099
75 H THR 12 HN THR 12 -5.628 -4.493 -4.625
76 HA THR 12 HA THR 12 -3.007 -3.709 -5.543
77 HB THR 12 HB THR 12 -5.219 -4.080 -7.498
78 HG1 THR 12 HG1 THR 12 -5.481 -6.220 -6.972
79 1HG2 THR 12 HG2 THR 12 -3.536 -5.688 -8.411
80 2HG2 THR 12 HG2 THR 12 -2.856 -4.078 -8.171
81 3HG2 THR 12 HG2 THR 12 -2.512 -5.363 -7.009
82 H THR 13 HN THR 13 -6.061 -2.136 -5.157
83 HA THR 13 HA THR 13 -5.311 0.057 -6.964
84 HB THR 13 HB THR 13 -7.541 0.571 -5.136
85 HG1 THR 13 HG1 THR 13 -8.849 -1.018 -6.319
86 1HG2 THR 13 HG2 THR 13 -8.347 1.626 -6.980
87 2HG2 THR 13 HG2 THR 13 -6.712 1.406 -7.601
88 3HG2 THR 13 HG2 THR 13 -7.987 0.253 -8.032
89 H LEU 14 HN LEU 14 -4.486 -0.994 -3.929
90 HA LEU 14 HA LEU 14 -3.860 1.739 -2.957
91 1HB LEU 14 HB3 LEU 14 -4.507 -0.746 -1.356
92 2HB LEU 14 HB2 LEU 14 -3.962 0.773 -0.659
93 HG LEU 14 HG LEU 14 -6.470 0.456 -2.352
94 1HD1 LEU 14 HD2 LEU 14 -7.634 0.793 -0.128
95 2HD1 LEU 14 HD2 LEU 14 -6.801 -0.753 -0.296
96 3HD1 LEU 14 HD2 LEU 14 -6.070 0.544 0.649
97 1HD2 LEU 14 HD1 LEU 14 -5.798 2.752 -0.494
98 2HD2 LEU 14 HD1 LEU 14 -5.322 2.776 -2.197
99 3HD2 LEU 14 HD1 LEU 14 -7.025 2.684 -1.755
100 H LEU 15 HN LEU 15 -2.716 -1.171 -4.130
101 HA LEU 15 HA LEU 15 -0.015 -0.849 -2.913
102 1HB LEU 15 HB3 LEU 15 -1.747 -3.198 -3.557
103 2HB LEU 15 HB2 LEU 15 -0.025 -3.476 -3.837
104 HG LEU 15 HG LEU 15 -1.017 -3.976 -1.525
105 1HD1 LEU 15 HD2 LEU 15 1.509 -2.385 -2.025
106 2HD1 LEU 15 HD2 LEU 15 1.210 -3.280 -0.540
107 3HD1 LEU 15 HD2 LEU 15 1.344 -4.138 -2.074
108 1HD2 LEU 15 HD1 LEU 15 -0.349 -1.071 -1.064
109 2HD2 LEU 15 HD1 LEU 15 -2.008 -1.608 -1.332
110 3HD2 LEU 15 HD1 LEU 15 -1.102 -2.205 0.055
111 H ARG 16 HN ARG 16 -1.940 -0.438 -5.593
112 HA ARG 16 HA ARG 16 0.388 -0.406 -7.480
113 1HB ARG 16 HB2 ARG 16 -1.720 -2.038 -7.795
114 2HB ARG 16 HB3 ARG 16 -2.461 -0.581 -8.426
115 1HG ARG 16 HG2 ARG 16 0.217 -0.953 -9.522
116 2HG ARG 16 HG3 ARG 16 -0.825 -2.333 -9.851
117 1HD ARG 16 HD3 ARG 16 -2.537 -0.838 -10.790
118 2HD ARG 16 HD2 ARG 16 -1.529 0.564 -10.420
119 HE ARG 16 HE ARG 16 -0.607 0.119 -12.542
120 1HH1 ARG 16 HH1 ARG 16 1.279 -1.820 -11.327
121 2HH1 ARG 16 HH1 ARG 16 0.980 -3.262 -12.239
122 1HH2 ARG 16 HH2 ARG 16 -2.059 -2.158 -13.491
123 2HH2 ARG 16 HH2 ARG 16 -0.909 -3.454 -13.462
124 H ARG 17 HN ARG 17 -2.257 1.384 -5.980
125 HA ARG 17 HA ARG 17 -2.210 3.505 -8.013
126 1HB ARG 17 HB2 ARG 17 -4.099 4.370 -6.934
127 2HB ARG 17 HB3 ARG 17 -4.249 2.665 -6.543
128 1HG ARG 17 HG3 ARG 17 -4.569 3.720 -4.459
129 2HG ARG 17 HG2 ARG 17 -2.883 3.219 -4.409
130 1HD ARG 17 HD3 ARG 17 -2.467 5.370 -3.823
131 2HD ARG 17 HD2 ARG 17 -2.710 5.733 -5.530
132 HE ARG 17 HE ARG 17 -4.888 6.618 -5.027
133 1HH1 ARG 17 HH1 ARG 17 -4.028 4.481 -2.530
134 2HH1 ARG 17 HH1 ARG 17 -4.821 5.374 -1.276
135 1HH2 ARG 17 HH2 ARG 17 -5.615 8.056 -3.325
136 2HH2 ARG 17 HH2 ARG 17 -5.721 7.398 -1.726
137 H TYR 18 HN TYR 18 -0.756 2.670 -5.008
138 HA TYR 18 HA TYR 18 0.333 5.411 -4.652
139 1HB TYR 18 HB3 TYR 18 -0.021 3.059 -2.894
140 2HB TYR 18 HB2 TYR 18 1.513 3.864 -2.696
141 HD1 TYR 18 HD1 TYR 18 0.977 6.702 -2.975
142 HD2 TYR 18 HD2 TYR 18 -1.523 3.649 -1.292
143 HE1 TYR 18 HE1 TYR 18 -0.216 8.411 -1.627
144 HE2 TYR 18 HE2 TYR 18 -2.703 5.340 0.064
145 HH TYR 18 HH TYR 18 -3.005 8.169 -0.399
146 H ASN 19 HN ASN 19 1.094 2.244 -5.784
147 HA ASN 19 HA ASN 19 2.932 1.561 -7.085
148 1HB ASN 19 HB3 ASN 19 3.091 4.082 -7.596
149 2HB ASN 19 HB2 ASN 19 4.347 4.121 -6.358
150 1HD2 ASN 19 HD2 ASN 19 4.841 1.111 -7.383
151 2HD2 ASN 19 HD2 ASN 19 5.865 1.369 -8.709
152 H ILE 20 HN ILE 20 2.526 0.852 -4.422
153 HA ILE 20 HA ILE 20 5.092 1.088 -2.960
154 HB ILE 20 HB ILE 20 2.461 -0.471 -2.564
155 1HG1 ILE 20 HG1 ILE 20 3.484 1.395 -0.467
156 2HG1 ILE 20 HG1 ILE 20 2.898 2.148 -1.962
157 1HG2 ILE 20 HG2 ILE 20 4.691 -1.589 -1.701
158 2HG2 ILE 20 HG2 ILE 20 4.546 -0.391 -0.412
159 3HG2 ILE 20 HG2 ILE 20 3.251 -1.553 -0.685
160 1HD1 ILE 20 HD1 ILE 20 0.742 1.308 -1.691
161 2HD1 ILE 20 HD1 ILE 20 1.275 0.001 -0.636
162 3HD1 ILE 20 HD1 ILE 20 1.212 1.658 -0.029
163 HA PRO 21 HA PRO 21 6.887 -2.280 -5.124
164 1HB PRO 21 HB2 PRO 21 8.599 -3.196 -3.125
165 2HB PRO 21 HB3 PRO 21 8.944 -1.821 -4.190
166 1HG PRO 21 HG2 PRO 21 7.977 -1.829 -1.342
167 2HG PRO 21 HG3 PRO 21 9.058 -0.683 -2.153
168 1HD PRO 21 HD2 PRO 21 6.393 -0.158 -1.652
169 2HD PRO 21 HD3 PRO 21 7.289 0.578 -2.991
170 H HIS 22 HN HIS 22 5.052 -3.545 -5.294
171 HA HIS 22 HA HIS 22 4.669 -5.593 -3.155
172 1HB HIS 22 HB2 HIS 22 2.301 -5.441 -3.416
173 2HB HIS 22 HB3 HIS 22 2.834 -3.768 -3.394
174 HD1 HIS 22 HD1 HIS 22 2.842 -2.516 -5.727
175 HD2 HIS 22 HD2 HIS 22 1.342 -6.387 -5.830
176 HE1 HIS 22 HE1 HIS 22 1.763 -2.791 -7.997
177 H GLY 23 HN GLY 23 4.362 -7.755 -3.909
178 1HA GLY 23 HA1 GLY 23 4.793 -8.076 -6.841
179 2HA GLY 23 HA2 GLY 23 5.178 -9.282 -5.619
180 HA PRO 24 HA PRO 24 1.143 -10.880 -6.790
181 1HB PRO 24 HB2 PRO 24 1.247 -13.108 -5.197
182 2HB PRO 24 HB3 PRO 24 2.098 -12.981 -6.744
183 1HG PRO 24 HG2 PRO 24 3.194 -12.831 -3.965
184 2HG PRO 24 HG3 PRO 24 3.987 -13.368 -5.453
185 1HD PRO 24 HD2 PRO 24 4.316 -10.836 -4.210
186 2HD PRO 24 HD3 PRO 24 4.821 -11.283 -5.862
187 H VAL 25 HN VAL 25 -0.949 -11.005 -5.767
188 HA VAL 25 HA VAL 25 -1.000 -10.290 -2.860
189 HB VAL 25 HB VAL 25 -3.023 -9.391 -4.936
190 1HG1 VAL 25 HG2 VAL 25 -4.107 -8.315 -3.181
191 2HG1 VAL 25 HG2 VAL 25 -3.517 -9.760 -2.365
192 3HG1 VAL 25 HG2 VAL 25 -2.645 -8.238 -2.198
193 1HG2 VAL 25 HG1 VAL 25 -2.019 -7.129 -4.605
194 2HG2 VAL 25 HG1 VAL 25 -0.780 -7.848 -3.579
195 3HG2 VAL 25 HG1 VAL 25 -0.858 -8.266 -5.288
196 H VAL 26 HN VAL 26 -1.969 -11.885 -1.684
197 HA VAL 26 HA VAL 26 -4.214 -13.394 -2.930
198 HB VAL 26 HB VAL 26 -3.267 -15.533 -2.256
199 1HG1 VAL 26 HG1 VAL 26 -1.574 -15.698 -3.899
200 2HG1 VAL 26 HG1 VAL 26 -2.547 -14.328 -4.435
201 3HG1 VAL 26 HG1 VAL 26 -1.013 -14.051 -3.610
202 1HG2 VAL 26 HG2 VAL 26 -1.582 -15.735 -0.753
203 2HG2 VAL 26 HG2 VAL 26 -0.599 -14.522 -1.573
204 3HG2 VAL 26 HG2 VAL 26 -1.838 -14.021 -0.423
205 H GLY 27 HN GLY 27 -5.051 -15.020 -1.085
206 1HA GLY 27 HA1 GLY 27 -5.645 -13.292 1.239
207 2HA GLY 27 HA2 GLY 27 -6.447 -14.818 0.849
208 H SER 28 HN SER 28 -3.739 -13.341 2.425
209 HA SER 28 HA SER 28 -3.300 -15.088 4.480
210 1HB SER 28 HB3 SER 28 -2.966 -17.040 3.208
211 2HB SER 28 HB2 SER 28 -2.134 -16.171 1.917
212 HG SER 28 HG SER 28 -0.580 -17.218 3.069
213 H THR 29 HN THR 29 -1.449 -13.758 1.763
214 HA THR 29 HA THR 29 0.516 -12.575 3.653
215 HB THR 29 HB THR 29 1.262 -11.761 1.104
216 HG1 THR 29 HG1 THR 29 0.313 -14.378 0.744
217 1HG2 THR 29 HG2 THR 29 2.751 -13.798 1.078
218 2HG2 THR 29 HG2 THR 29 2.817 -12.889 2.586
219 3HG2 THR 29 HG2 THR 29 1.886 -14.389 2.495
220 H ARG 30 HN ARG 30 -2.420 -11.818 3.071
221 HA ARG 30 HA ARG 30 -2.518 -9.316 1.747
222 1HB ARG 30 HB3 ARG 30 -4.563 -10.438 2.098
223 2HB ARG 30 HB2 ARG 30 -4.256 -10.647 3.818
224 1HG ARG 30 HG3 ARG 30 -5.294 -8.700 4.261
225 2HG ARG 30 HG2 ARG 30 -4.193 -7.838 3.187
226 1HD ARG 30 HD3 ARG 30 -5.605 -8.591 1.233
227 2HD ARG 30 HD2 ARG 30 -6.751 -9.275 2.389
228 HE ARG 30 HE ARG 30 -6.186 -6.472 2.931
229 1HH1 ARG 30 HH1 ARG 30 -7.049 -6.407 0.094
230 2HH1 ARG 30 HH1 ARG 30 -8.774 -6.335 0.224
231 1HH2 ARG 30 HH2 ARG 30 -8.834 -7.378 3.530
232 2HH2 ARG 30 HH2 ARG 30 -9.785 -6.886 2.168
233 H ARG 31 HN ARG 31 -1.458 -10.118 4.998
234 HA ARG 31 HA ARG 31 -1.642 -7.322 5.896
235 1HB ARG 31 HB3 ARG 31 -1.775 -9.489 7.351
236 2HB ARG 31 HB2 ARG 31 -0.015 -9.444 7.283
237 1HG ARG 31 HG3 ARG 31 -0.174 -8.032 9.053
238 2HG ARG 31 HG2 ARG 31 -0.639 -6.825 7.854
239 1HD ARG 31 HD2 ARG 31 -2.297 -6.846 9.646
240 2HD ARG 31 HD3 ARG 31 -3.029 -7.487 8.169
241 HE ARG 31 HE ARG 31 -1.962 -9.714 9.638
242 1HH1 ARG 31 HH1 ARG 31 -4.847 -8.367 8.806
243 2HH1 ARG 31 HH1 ARG 31 -5.711 -8.815 10.239
244 1HH2 ARG 31 HH2 ARG 31 -2.870 -9.806 11.961
245 2HH2 ARG 31 HH2 ARG 31 -4.591 -9.630 12.025
246 H LEU 32 HN LEU 32 0.092 -8.380 3.603
247 HA LEU 32 HA LEU 32 2.598 -7.051 4.379
248 1HB LEU 32 HB3 LEU 32 2.556 -9.647 3.743
249 2HB LEU 32 HB2 LEU 32 2.477 -9.015 2.106
250 HG LEU 32 HG LEU 32 4.782 -9.559 2.917
251 1HD1 LEU 32 HD2 LEU 32 5.772 -7.848 1.697
252 2HD1 LEU 32 HD2 LEU 32 4.106 -7.735 1.144
253 3HD1 LEU 32 HD2 LEU 32 4.713 -6.602 2.354
254 1HD2 LEU 32 HD1 LEU 32 5.805 -8.502 4.677
255 2HD2 LEU 32 HD1 LEU 32 4.899 -7.012 4.452
256 3HD2 LEU 32 HD1 LEU 32 4.143 -8.394 5.252
257 H TYR 33 HN TYR 33 0.025 -6.140 3.289
258 HA TYR 33 HA TYR 33 1.031 -4.447 1.127
259 1HB TYR 33 HB2 TYR 33 -1.265 -6.363 0.690
260 2HB TYR 33 HB3 TYR 33 -0.937 -5.013 -0.357
261 HD1 TYR 33 HD1 TYR 33 2.022 -5.005 -0.503
262 HD2 TYR 33 HD2 TYR 33 -0.782 -8.282 -0.476
263 HE1 TYR 33 HE1 TYR 33 3.661 -6.451 -1.697
264 HE2 TYR 33 HE2 TYR 33 0.869 -9.695 -1.676
265 HH TYR 33 HH TYR 33 2.907 -9.830 -2.517
266 H GLU 34 HN GLU 34 -1.887 -5.501 2.916
267 HA GLU 34 HA GLU 34 -3.139 -2.900 2.798
268 1HB GLU 34 HB3 GLU 34 -3.674 -5.516 4.013
269 2HB GLU 34 HB2 GLU 34 -4.191 -4.169 5.024
270 1HG GLU 34 HG3 GLU 34 -4.992 -4.742 2.173
271 2HG GLU 34 HG2 GLU 34 -6.031 -4.728 3.595
272 H LYS 35 HN LYS 35 -0.435 -3.936 4.399
273 HA LYS 35 HA LYS 35 -0.889 -2.225 6.788
274 1HB LYS 35 HB3 LYS 35 -0.321 -4.360 7.473
275 2HB LYS 35 HB2 LYS 35 0.642 -4.678 6.043
276 1HG LYS 35 HG2 LYS 35 1.861 -2.542 7.639
277 2HG LYS 35 HG3 LYS 35 1.556 -3.948 8.654
278 1HD LYS 35 HD3 LYS 35 2.565 -5.192 6.490
279 2HD LYS 35 HD2 LYS 35 3.383 -3.641 6.327
280 1HE LYS 35 HE3 LYS 35 3.763 -5.774 8.344
281 2HE LYS 35 HE2 LYS 35 4.902 -4.561 7.759
282 1HZ LYS 35 HZ1 LYS 35 3.409 -2.943 9.079
283 2HZ LYS 35 HZ2 LYS 35 2.897 -4.339 9.903
284 3HZ LYS 35 HZ3 LYS 35 4.538 -3.896 9.914
285 H LYS 36 HN LYS 36 1.143 -2.665 4.019
286 HA LYS 36 HA LYS 36 3.335 -0.857 4.727
287 1HB LYS 36 HB3 LYS 36 2.257 -1.437 1.916
288 2HB LYS 36 HB2 LYS 36 3.844 -0.786 2.304
289 1HG LYS 36 HG3 LYS 36 4.192 -3.062 1.776
290 2HG LYS 36 HG2 LYS 36 4.300 -2.977 3.516
291 1HD LYS 36 HD2 LYS 36 1.573 -3.400 2.619
292 2HD LYS 36 HD3 LYS 36 2.663 -4.630 2.052
293 1HE LYS 36 HE3 LYS 36 2.199 -3.824 4.940
294 2HE LYS 36 HE2 LYS 36 1.847 -5.365 4.227
295 1HZ LYS 36 HZ1 LYS 36 4.454 -4.200 4.905
296 2HZ LYS 36 HZ2 LYS 36 3.843 -5.744 5.261
297 3HZ LYS 36 HZ3 LYS 36 4.354 -5.372 3.684
298 H ILE 37 HN ILE 37 0.382 -0.820 3.105
299 HA ILE 37 HA ILE 37 0.053 1.832 2.252
300 HB ILE 37 HB ILE 37 -1.089 -0.615 1.996
301 1HG1 ILE 37 HG1 ILE 37 -1.296 1.334 0.454
302 2HG1 ILE 37 HG1 ILE 37 -2.823 0.488 0.661
303 1HG2 ILE 37 HG2 ILE 37 -2.873 0.945 3.897
304 2HG2 ILE 37 HG2 ILE 37 -3.489 -0.318 2.841
305 3HG2 ILE 37 HG2 ILE 37 -2.278 -0.715 4.066
306 1HD1 ILE 37 HD1 ILE 37 -3.169 2.921 0.803
307 2HD1 ILE 37 HD1 ILE 37 -3.514 2.157 2.355
308 3HD1 ILE 37 HD1 ILE 37 -1.993 3.018 2.114
309 H PHE 38 HN PHE 38 0.494 0.901 5.428
310 HA PHE 38 HA PHE 38 -1.567 2.759 6.488
311 1HB PHE 38 HB3 PHE 38 -1.661 0.601 7.553
312 2HB PHE 38 HB2 PHE 38 0.089 0.539 7.728
313 HD1 PHE 38 HD1 PHE 38 -2.985 2.276 8.920
314 HD2 PHE 38 HD2 PHE 38 1.185 1.491 9.602
315 HE1 PHE 38 HE1 PHE 38 -3.163 3.286 11.178
316 HE2 PHE 38 HE2 PHE 38 1.005 2.494 11.862
317 HZ PHE 38 HZ PHE 38 -1.168 3.396 12.649
318 H GLU 39 HN GLU 39 1.923 1.980 6.916
319 HA GLU 39 HA GLU 39 2.432 4.461 8.331
320 1HB GLU 39 HB3 GLU 39 4.735 3.813 8.288
321 2HB GLU 39 HB2 GLU 39 3.818 2.319 8.475
322 1HG GLU 39 HG2 GLU 39 4.596 1.488 6.538
323 2HG GLU 39 HG3 GLU 39 4.199 2.991 5.661
324 H TYR 40 HN TYR 40 2.297 3.503 4.997
325 HA TYR 40 HA TYR 40 3.908 5.435 3.742
326 1HB TYR 40 HB3 TYR 40 2.479 3.522 2.732
327 2HB TYR 40 HB2 TYR 40 1.184 4.707 2.678
328 HD1 TYR 40 HD1 TYR 40 1.061 6.268 0.938
329 HD2 TYR 40 HD2 TYR 40 4.739 4.166 1.644
330 HE1 TYR 40 HE1 TYR 40 2.007 7.230 -1.137
331 HE2 TYR 40 HE2 TYR 40 5.688 5.129 -0.437
332 HH TYR 40 HH TYR 40 4.051 6.314 -2.825
333 H GLU 41 HN GLU 41 0.604 5.770 4.995
334 HA GLU 41 HA GLU 41 0.576 8.606 4.125
335 1HB GLU 41 HB3 GLU 41 -1.484 6.647 5.073
336 2HB GLU 41 HB2 GLU 41 -1.808 8.374 5.248
337 1HG GLU 41 HG3 GLU 41 -0.719 7.937 2.635
338 2HG GLU 41 HG2 GLU 41 -2.022 6.774 2.889
339 H THR 42 HN THR 42 1.592 6.922 6.844
340 HA THR 42 HA THR 42 1.146 9.365 8.508
341 HB THR 42 HB THR 42 -0.025 6.875 8.938
342 HG1 THR 42 HG1 THR 42 -0.310 9.185 9.778
343 1HG2 THR 42 HG2 THR 42 2.023 7.275 11.121
344 2HG2 THR 42 HG2 THR 42 0.944 5.904 10.874
345 3HG2 THR 42 HG2 THR 42 2.299 6.166 9.775
346 H GLN 43 HN GLN 43 3.495 7.993 6.932
347 HA GLN 43 HA GLN 43 5.439 8.386 9.159
348 1HB GLN 43 HB2 GLN 43 6.695 6.473 8.576
349 2HB GLN 43 HB3 GLN 43 5.026 5.933 8.512
350 1HG GLN 43 HG2 GLN 43 5.491 5.186 6.440
351 2HG GLN 43 HG3 GLN 43 5.406 6.881 5.945
352 1HE2 GLN 43 HE2 GLN 43 8.237 6.920 7.910
353 2HE2 GLN 43 HE2 GLN 43 9.344 6.501 6.697
354 H ARG 44 HN ARG 44 4.686 8.801 5.761
355 HA ARG 44 HA ARG 44 6.697 10.884 5.598
356 1HB ARG 44 HB3 ARG 44 7.558 8.310 4.955
357 2HB ARG 44 HB2 ARG 44 7.255 9.059 3.392
358 1HG ARG 44 HG3 ARG 44 8.865 10.722 3.760
359 2HG ARG 44 HG2 ARG 44 8.736 10.581 5.514
360 1HD ARG 44 HD2 ARG 44 9.573 8.044 4.447
361 2HD ARG 44 HD3 ARG 44 10.625 9.308 3.790
362 HE ARG 44 HE ARG 44 10.312 9.752 6.641
363 1HH1 ARG 44 HH2 ARG 44 12.798 9.373 4.712
364 2HH1 ARG 44 HH2 ARG 44 13.626 8.119 5.573
365 1HH2 ARG 44 HH1 ARG 44 10.912 7.350 7.591
366 2HH2 ARG 44 HH1 ARG 44 12.558 6.973 7.204
367 H ARG 45 HN ARG 45 6.764 10.676 2.605
368 HA ARG 45 HA ARG 45 5.409 11.076 0.723
369 1HB ARG 45 HB3 ARG 45 3.689 9.669 2.023
370 2HB ARG 45 HB2 ARG 45 3.067 11.212 2.599
371 1HG ARG 45 HG2 ARG 45 3.120 11.887 0.075
372 2HG ARG 45 HG3 ARG 45 3.183 10.153 -0.216
373 1HD ARG 45 HD2 ARG 45 1.102 9.975 1.292
374 2HD ARG 45 HD3 ARG 45 0.986 11.737 1.152
375 HE ARG 45 HE ARG 45 1.228 10.643 -1.489
376 1HH1 ARG 45 HH1 ARG 45 -0.919 10.874 1.216
377 2HH1 ARG 45 HH1 ARG 45 -2.348 10.654 0.263
378 1HH2 ARG 45 HH2 ARG 45 -0.627 10.303 -2.726
379 2HH2 ARG 45 HH2 ARG 45 -2.183 10.330 -1.965
380 H ARG 46 HN ARG 46 5.160 12.868 3.803
381 HA ARG 46 HA ARG 46 4.884 15.364 2.197
382 1HB ARG 46 HB3 ARG 46 3.641 16.146 4.375
383 2HB ARG 46 HB2 ARG 46 2.759 15.227 3.156
384 1HG ARG 46 HG2 ARG 46 2.347 14.356 5.429
385 2HG ARG 46 HG3 ARG 46 3.109 13.156 4.407
386 1HD ARG 46 HD2 ARG 46 4.136 13.269 6.686
387 2HD ARG 46 HD3 ARG 46 5.302 13.676 5.419
388 HE ARG 46 HE ARG 46 4.069 16.138 6.286
389 1HH1 ARG 46 HH1 ARG 46 5.991 13.541 7.553
390 2HH1 ARG 46 HH1 ARG 46 6.891 14.562 8.623
391 1HH2 ARG 46 HH2 ARG 46 5.293 17.473 7.627
392 2HH2 ARG 46 HH2 ARG 46 6.496 16.785 8.666
393 H LEU 47 HN LEU 47 7.073 13.797 3.478
394 HA LEU 47 HA LEU 47 8.134 15.903 5.312
395 1HB LEU 47 HB2 LEU 47 8.008 14.049 6.739
396 2HB LEU 47 HB3 LEU 47 8.127 12.903 5.409
397 HG LEU 47 HG LEU 47 10.575 14.475 5.762
398 1HD1 LEU 47 HD1 LEU 47 9.653 12.594 7.967
399 2HD1 LEU 47 HD1 LEU 47 11.261 13.306 7.837
400 3HD1 LEU 47 HD1 LEU 47 9.860 14.337 8.137
401 1HD2 LEU 47 HD2 LEU 47 9.792 12.125 4.589
402 2HD2 LEU 47 HD2 LEU 47 11.468 12.518 4.984
403 3HD2 LEU 47 HD2 LEU 47 10.511 11.531 6.088
404 H SER 48 HN SER 48 8.803 16.849 3.109
405 HA SER 48 HA SER 48 11.561 16.394 2.601
406 1HB SER 48 HB2 SER 48 10.760 15.551 0.086
407 2HB SER 48 HB3 SER 48 11.453 14.518 1.335
408 HG SER 48 HG SER 48 9.530 13.749 1.810
409 HA PRO 49 HA PRO 49 9.416 20.094 0.725
410 1HB PRO 49 HB2 PRO 49 10.366 21.945 2.567
411 2HB PRO 49 HB3 PRO 49 8.813 21.099 2.797
412 1HG PRO 49 HG3 PRO 49 11.439 20.643 4.148
413 2HG PRO 49 HG2 PRO 49 9.799 20.335 4.738
414 1HD PRO 49 HD3 PRO 49 11.595 18.378 3.738
415 2HD PRO 49 HD2 PRO 49 9.848 18.145 3.968
416 HA PRO 50 HA PRO 50 13.611 20.597 -0.923
417 1HB PRO 50 HB2 PRO 50 12.760 21.399 -3.413
418 2HB PRO 50 HB3 PRO 50 12.892 19.703 -2.922
419 1HG PRO 50 HG2 PRO 50 10.448 21.402 -3.228
420 2HG PRO 50 HG3 PRO 50 10.625 19.651 -3.423
421 1HD PRO 50 HD3 PRO 50 9.544 20.965 -1.158
422 2HD PRO 50 HD2 PRO 50 10.079 19.271 -1.203
423 H SER 51 HN SER 51 11.161 22.907 -2.200
424 HA SER 51 HA SER 51 12.813 25.135 -1.016
425 1HB SER 51 HB2 SER 51 12.059 26.423 -3.140
426 2HB SER 51 HB3 SER 51 13.368 25.254 -3.311
427 HG SER 51 HG SER 51 11.059 25.295 -4.576
428 H SER 52 HN SER 52 10.364 23.850 -0.017
429 HA SER 52 HA SER 52 8.333 25.984 -0.482
430 1HB SER 52 HB2 SER 52 8.091 23.286 0.887
431 2HB SER 52 HB3 SER 52 6.767 24.425 0.646
432 HG SER 52 HG SER 52 6.550 23.557 -1.233
433 H SER 53 HN SER 53 9.857 24.179 2.212
434 HA SER 53 HA SER 53 10.123 26.600 3.790
435 1HB SER 53 HB2 SER 53 8.572 25.076 5.559
436 2HB SER 53 HB3 SER 53 8.093 26.580 4.772
437 HG SER 53 HG SER 53 6.641 25.374 3.867
Start of MODEL 9
1 2H ASP 1 HN2 ASP 1 -11.744 3.618 9.636
2 3H ASP 1 HN3 ASP 1 -11.809 4.965 8.602
3 H ASP 1 HN ASP 1 -10.608 4.873 9.797
4 HA ASP 1 HA ASP 1 -10.067 4.282 7.325
5 1HB ASP 1 HB3 ASP 1 -8.270 2.859 8.143
6 2HB ASP 1 HB2 ASP 1 -8.537 4.155 9.308
7 H ASN 2 HN ASN 2 -10.442 2.736 5.776
8 HA ASN 2 HA ASN 2 -12.319 0.544 6.502
9 1HB ASN 2 HB3 ASN 2 -12.297 0.257 3.894
10 2HB ASN 2 HB2 ASN 2 -13.090 1.724 4.519
11 1HD2 ASN 2 HD2 ASN 2 -9.611 0.771 3.757
12 2HD2 ASN 2 HD2 ASN 2 -9.296 2.210 2.913
13 H TYR 3 HN TYR 3 -9.748 0.128 7.498
14 HA TYR 3 HA TYR 3 -8.010 -1.329 5.727
15 1HB TYR 3 HB2 TYR 3 -8.368 -1.199 8.696
16 2HB TYR 3 HB3 TYR 3 -7.511 -2.592 8.041
17 HD1 TYR 3 HD1 TYR 3 -5.290 -2.232 8.648
18 HD2 TYR 3 HD2 TYR 3 -7.459 0.969 6.750
19 HE1 TYR 3 HE1 TYR 3 -3.230 -0.920 8.499
20 HE2 TYR 3 HE2 TYR 3 -5.387 2.281 6.602
21 HH TYR 3 HH TYR 3 -2.584 1.281 6.597
22 H ALA 4 HN ALA 4 -10.881 -2.239 7.556
23 HA ALA 4 HA ALA 4 -10.643 -5.041 6.591
24 1HB ALA 4 HB1 ALA 4 -12.893 -5.133 8.001
25 2HB ALA 4 HB2 ALA 4 -11.327 -5.148 8.812
26 3HB ALA 4 HB3 ALA 4 -12.251 -3.650 8.706
27 H ASP 5 HN ASP 5 -11.136 -2.859 4.758
28 HA ASP 5 HA ASP 5 -13.540 -3.905 3.448
29 1HB ASP 5 HB3 ASP 5 -13.601 -1.428 4.982
30 2HB ASP 5 HB2 ASP 5 -13.978 -1.142 3.283
31 H LEU 6 HN LEU 6 -11.796 -4.457 1.969
32 HA LEU 6 HA LEU 6 -11.424 -2.522 -0.136
33 1HB LEU 6 HB3 LEU 6 -8.822 -2.559 0.171
34 2HB LEU 6 HB2 LEU 6 -9.730 -1.548 1.280
35 HG LEU 6 HG LEU 6 -9.736 -3.783 2.701
36 1HD1 LEU 6 HD1 LEU 6 -7.437 -4.771 2.535
37 2HD1 LEU 6 HD1 LEU 6 -8.429 -5.133 1.123
38 3HD1 LEU 6 HD1 LEU 6 -7.199 -3.873 1.039
39 1HD2 LEU 6 HD2 LEU 6 -7.621 -2.765 3.710
40 2HD2 LEU 6 HD2 LEU 6 -7.629 -1.656 2.333
41 3HD2 LEU 6 HD2 LEU 6 -8.972 -1.658 3.468
42 H SER 7 HN SER 7 -12.454 -4.999 -0.164
43 HA SER 7 HA SER 7 -11.219 -7.350 -0.566
44 1HB SER 7 HB3 SER 7 -13.338 -5.936 -2.103
45 2HB SER 7 HB2 SER 7 -12.584 -7.297 -2.972
46 HG SER 7 HG SER 7 -13.804 -8.496 -1.778
47 H ASP 8 HN ASP 8 -10.019 -8.431 -2.333
48 HA ASP 8 HA ASP 8 -7.681 -7.748 -3.197
49 1HB ASP 8 HB2 ASP 8 -8.628 -8.377 -5.714
50 2HB ASP 8 HB3 ASP 8 -8.081 -9.522 -4.495
51 H THR 9 HN THR 9 -10.364 -6.376 -5.192
52 HA THR 9 HA THR 9 -8.874 -4.767 -6.855
53 HB THR 9 HB THR 9 -11.525 -4.154 -5.535
54 HG1 THR 9 HG1 THR 9 -12.089 -4.451 -7.833
55 1HG2 THR 9 HG2 THR 9 -9.740 -2.288 -6.853
56 2HG2 THR 9 HG2 THR 9 -11.166 -2.552 -7.856
57 3HG2 THR 9 HG2 THR 9 -11.351 -1.997 -6.195
58 H GLU 10 HN GLU 10 -10.198 -3.487 -3.750
59 HA GLU 10 HA GLU 10 -8.729 -1.110 -3.751
60 1HB GLU 10 HB2 GLU 10 -9.413 -2.776 -1.365
61 2HB GLU 10 HB3 GLU 10 -8.960 -1.075 -1.324
62 1HG GLU 10 HG3 GLU 10 -11.480 -2.347 -1.974
63 2HG GLU 10 HG2 GLU 10 -11.190 -0.717 -1.413
64 H LEU 11 HN LEU 11 -7.757 -4.235 -2.354
65 HA LEU 11 HA LEU 11 -5.344 -3.479 -1.165
66 1HB LEU 11 HB2 LEU 11 -6.152 -5.841 -1.240
67 2HB LEU 11 HB3 LEU 11 -5.670 -5.912 -2.938
68 HG LEU 11 HG LEU 11 -3.625 -4.907 -1.061
69 1HD1 LEU 11 HD2 LEU 11 -4.784 -7.678 -0.969
70 2HD1 LEU 11 HD2 LEU 11 -3.063 -7.447 -0.682
71 3HD1 LEU 11 HD2 LEU 11 -4.241 -6.665 0.366
72 1HD2 LEU 11 HD1 LEU 11 -3.816 -6.369 -3.616
73 2HD2 LEU 11 HD1 LEU 11 -2.631 -5.179 -3.075
74 3HD2 LEU 11 HD1 LEU 11 -2.492 -6.849 -2.567
75 H THR 12 HN THR 12 -5.878 -4.343 -4.530
76 HA THR 12 HA THR 12 -3.250 -3.561 -5.444
77 HB THR 12 HB THR 12 -5.548 -3.647 -7.341
78 HG1 THR 12 HG1 THR 12 -5.850 -5.816 -7.050
79 1HG2 THR 12 HG2 THR 12 -3.184 -3.588 -8.076
80 2HG2 THR 12 HG2 THR 12 -2.867 -5.058 -7.150
81 3HG2 THR 12 HG2 THR 12 -3.947 -5.109 -8.546
82 H THR 13 HN THR 13 -6.321 -1.970 -4.976
83 HA THR 13 HA THR 13 -5.542 0.415 -6.480
84 HB THR 13 HB THR 13 -7.651 0.701 -4.434
85 HG1 THR 13 HG1 THR 13 -9.092 -0.560 -5.809
86 1HG2 THR 13 HG2 THR 13 -6.879 1.891 -6.828
87 2HG2 THR 13 HG2 THR 13 -8.372 1.024 -7.233
88 3HG2 THR 13 HG2 THR 13 -8.361 2.220 -5.929
89 H LEU 14 HN LEU 14 -4.574 -1.004 -3.672
90 HA LEU 14 HA LEU 14 -3.849 1.554 -2.342
91 1HB LEU 14 HB3 LEU 14 -4.636 -1.131 -1.200
92 2HB LEU 14 HB2 LEU 14 -3.801 0.077 -0.241
93 HG LEU 14 HG LEU 14 -6.429 0.574 -1.696
94 1HD1 LEU 14 HD2 LEU 14 -7.507 0.312 0.497
95 2HD1 LEU 14 HD2 LEU 14 -6.656 -1.170 0.057
96 3HD1 LEU 14 HD2 LEU 14 -5.949 -0.062 1.233
97 1HD2 LEU 14 HD1 LEU 14 -5.527 2.137 0.698
98 2HD2 LEU 14 HD1 LEU 14 -4.774 2.509 -0.862
99 3HD2 LEU 14 HD1 LEU 14 -6.520 2.644 -0.667
100 H LEU 15 HN LEU 15 -2.844 -1.281 -3.886
101 HA LEU 15 HA LEU 15 -0.099 -1.155 -2.756
102 1HB LEU 15 HB3 LEU 15 -1.928 -3.371 -3.580
103 2HB LEU 15 HB2 LEU 15 -0.211 -3.672 -3.896
104 HG LEU 15 HG LEU 15 -0.956 -4.417 -1.680
105 1HD1 LEU 15 HD2 LEU 15 1.201 -2.357 -2.084
106 2HD1 LEU 15 HD2 LEU 15 1.057 -3.240 -0.570
107 3HD1 LEU 15 HD2 LEU 15 1.368 -4.106 -2.075
108 1HD2 LEU 15 HD1 LEU 15 -1.288 -2.798 0.093
109 2HD2 LEU 15 HD1 LEU 15 -0.927 -1.464 -0.997
110 3HD2 LEU 15 HD1 LEU 15 -2.422 -2.380 -1.191
111 H ARG 16 HN ARG 16 -2.059 -0.346 -5.271
112 HA ARG 16 HA ARG 16 0.185 -0.258 -7.248
113 1HB ARG 16 HB3 ARG 16 -1.975 -1.745 -7.655
114 2HB ARG 16 HB2 ARG 16 -2.744 -0.213 -8.003
115 1HG ARG 16 HG3 ARG 16 -0.163 -0.727 -9.420
116 2HG ARG 16 HG2 ARG 16 -1.558 -1.670 -9.922
117 1HD ARG 16 HD3 ARG 16 -2.848 0.360 -10.304
118 2HD ARG 16 HD2 ARG 16 -1.533 1.352 -9.674
119 HE ARG 16 HE ARG 16 -0.266 0.876 -11.680
120 1HH1 ARG 16 HH1 ARG 16 -3.362 1.206 -12.397
121 2HH1 ARG 16 HH1 ARG 16 -3.445 0.075 -13.705
122 1HH2 ARG 16 HH2 ARG 16 -0.370 -1.365 -13.006
123 2HH2 ARG 16 HH2 ARG 16 -1.751 -1.380 -14.050
124 H ARG 17 HN ARG 17 -2.388 1.481 -5.546
125 HA ARG 17 HA ARG 17 -2.348 3.774 -7.334
126 1HB ARG 17 HB2 ARG 17 -4.071 4.639 -6.029
127 2HB ARG 17 HB3 ARG 17 -4.287 2.914 -5.744
128 1HG ARG 17 HG3 ARG 17 -4.024 3.267 -3.549
129 2HG ARG 17 HG2 ARG 17 -2.409 3.884 -3.813
130 1HD ARG 17 HD3 ARG 17 -5.005 5.457 -3.910
131 2HD ARG 17 HD2 ARG 17 -3.760 5.567 -2.663
132 HE ARG 17 HE ARG 17 -2.327 6.754 -4.224
133 1HH1 ARG 17 HH1 ARG 17 -5.613 6.944 -4.840
134 2HH1 ARG 17 HH1 ARG 17 -5.460 7.517 -6.466
135 1HH2 ARG 17 HH2 ARG 17 -2.034 7.025 -6.608
136 2HH2 ARG 17 HH2 ARG 17 -3.438 7.563 -7.466
137 H TYR 18 HN TYR 18 -0.668 2.772 -4.449
138 HA TYR 18 HA TYR 18 0.590 5.457 -4.199
139 1HB TYR 18 HB2 TYR 18 0.492 3.009 -2.441
140 2HB TYR 18 HB3 TYR 18 1.791 4.178 -2.235
141 HD1 TYR 18 HD1 TYR 18 0.691 6.789 -2.442
142 HD2 TYR 18 HD2 TYR 18 -1.169 3.248 -0.881
143 HE1 TYR 18 HE1 TYR 18 -0.818 8.186 -1.061
144 HE2 TYR 18 HE2 TYR 18 -2.674 4.646 0.509
145 HH TYR 18 HH TYR 18 -2.381 7.236 1.491
146 H ASN 19 HN ASN 19 1.087 2.263 -5.373
147 HA ASN 19 HA ASN 19 2.805 1.491 -6.790
148 1HB ASN 19 HB3 ASN 19 3.228 3.986 -7.217
149 2HB ASN 19 HB2 ASN 19 4.481 3.867 -5.981
150 1HD2 ASN 19 HD2 ASN 19 4.606 0.844 -7.174
151 2HD2 ASN 19 HD2 ASN 19 5.686 1.054 -8.465
152 H ILE 20 HN ILE 20 2.385 0.673 -4.173
153 HA ILE 20 HA ILE 20 4.954 0.554 -2.717
154 HB ILE 20 HB ILE 20 2.220 -0.850 -2.476
155 1HG1 ILE 20 HG1 ILE 20 3.307 1.010 -0.378
156 2HG1 ILE 20 HG1 ILE 20 2.626 1.701 -1.859
157 1HG2 ILE 20 HG2 ILE 20 4.267 -2.166 -1.553
158 2HG2 ILE 20 HG2 ILE 20 4.274 -0.947 -0.272
159 3HG2 ILE 20 HG2 ILE 20 2.854 -1.959 -0.519
160 1HD1 ILE 20 HD1 ILE 20 1.109 -0.449 -0.436
161 2HD1 ILE 20 HD1 ILE 20 1.072 1.195 0.203
162 3HD1 ILE 20 HD1 ILE 20 0.510 0.873 -1.434
163 HA PRO 21 HA PRO 21 6.350 -2.563 -5.520
164 1HB PRO 21 HB2 PRO 21 8.411 -3.559 -3.923
165 2HB PRO 21 HB3 PRO 21 8.541 -2.152 -4.994
166 1HG PRO 21 HG3 PRO 21 8.121 -2.239 -2.014
167 2HG PRO 21 HG2 PRO 21 9.055 -1.082 -2.980
168 1HD PRO 21 HD3 PRO 21 6.569 -0.501 -1.997
169 2HD PRO 21 HD2 PRO 21 7.159 0.190 -3.503
170 H HIS 22 HN HIS 22 4.627 -3.868 -5.542
171 HA HIS 22 HA HIS 22 4.503 -6.062 -3.513
172 1HB HIS 22 HB2 HIS 22 2.114 -6.005 -3.628
173 2HB HIS 22 HB3 HIS 22 2.622 -4.329 -3.413
174 HD1 HIS 22 HD1 HIS 22 2.980 -3.067 -5.929
175 HD2 HIS 22 HD2 HIS 22 0.482 -6.367 -5.709
176 HE1 HIS 22 HE1 HIS 22 1.545 -3.001 -8.010
177 H GLY 23 HN GLY 23 3.702 -8.123 -4.419
178 1HA GLY 23 HA1 GLY 23 4.029 -8.274 -7.382
179 2HA GLY 23 HA2 GLY 23 4.574 -9.541 -6.290
180 HA PRO 24 HA PRO 24 0.461 -11.174 -7.016
181 1HB PRO 24 HB2 PRO 24 0.743 -13.406 -5.446
182 2HB PRO 24 HB3 PRO 24 1.426 -13.270 -7.074
183 1HG PRO 24 HG3 PRO 24 2.806 -13.117 -4.425
184 2HG PRO 24 HG2 PRO 24 3.444 -13.644 -5.989
185 1HD PRO 24 HD3 PRO 24 3.884 -11.115 -4.781
186 2HD PRO 24 HD2 PRO 24 4.212 -11.549 -6.479
187 H VAL 25 HN VAL 25 -1.465 -10.780 -5.883
188 HA VAL 25 HA VAL 25 -1.213 -10.065 -3.007
189 HB VAL 25 HB VAL 25 -3.634 -9.735 -4.809
190 1HG1 VAL 25 HG2 VAL 25 -4.130 -9.737 -2.417
191 2HG1 VAL 25 HG2 VAL 25 -2.844 -8.570 -2.126
192 3HG1 VAL 25 HG2 VAL 25 -4.271 -8.095 -3.045
193 1HG2 VAL 25 HG1 VAL 25 -2.938 -7.449 -5.167
194 2HG2 VAL 25 HG1 VAL 25 -1.594 -7.609 -4.033
195 3HG2 VAL 25 HG1 VAL 25 -1.566 -8.474 -5.573
196 H VAL 26 HN VAL 26 -1.469 -11.815 -1.677
197 HA VAL 26 HA VAL 26 -3.857 -13.521 -2.105
198 HB VAL 26 HB VAL 26 -2.628 -15.578 -2.017
199 1HG1 VAL 26 HG1 VAL 26 -1.156 -15.366 -4.008
200 2HG1 VAL 26 HG1 VAL 26 -2.685 -14.517 -4.229
201 3HG1 VAL 26 HG1 VAL 26 -1.221 -13.611 -3.848
202 1HG2 VAL 26 HG2 VAL 26 0.032 -15.169 -2.044
203 2HG2 VAL 26 HG2 VAL 26 -0.449 -13.772 -1.083
204 3HG2 VAL 26 HG2 VAL 26 -0.867 -15.397 -0.544
205 H GLY 27 HN GLY 27 -4.196 -14.992 -0.182
206 1HA GLY 27 HA1 GLY 27 -4.346 -13.568 2.228
207 2HA GLY 27 HA2 GLY 27 -4.397 -15.324 2.132
208 H SER 28 HN SER 28 -1.882 -16.088 1.462
209 HA SER 28 HA SER 28 -0.406 -15.940 3.820
210 1HB SER 28 HB2 SER 28 1.554 -16.185 1.873
211 2HB SER 28 HB3 SER 28 0.631 -17.514 2.574
212 HG SER 28 HG SER 28 0.577 -16.567 0.077
213 H THR 29 HN THR 29 -0.561 -13.564 1.242
214 HA THR 29 HA THR 29 1.341 -11.891 2.833
215 HB THR 29 HB THR 29 1.886 -10.936 0.364
216 HG1 THR 29 HG1 THR 29 1.632 -12.440 -1.181
217 1HG2 THR 29 HG2 THR 29 3.713 -12.707 0.183
218 2HG2 THR 29 HG2 THR 29 3.664 -11.837 1.715
219 3HG2 THR 29 HG2 THR 29 3.007 -13.474 1.603
220 H ARG 30 HN ARG 30 -1.574 -11.872 2.862
221 HA ARG 30 HA ARG 30 -2.482 -9.666 1.251
222 1HB ARG 30 HB2 ARG 30 -3.593 -11.554 3.219
223 2HB ARG 30 HB3 ARG 30 -4.329 -9.962 3.223
224 1HG ARG 30 HG2 ARG 30 -3.881 -11.042 0.526
225 2HG ARG 30 HG3 ARG 30 -5.000 -11.999 1.498
226 1HD ARG 30 HD2 ARG 30 -6.423 -10.090 1.899
227 2HD ARG 30 HD3 ARG 30 -5.226 -8.983 1.223
228 HE ARG 30 HE ARG 30 -5.823 -10.783 -0.845
229 1HH1 ARG 30 HH2 ARG 30 -6.520 -7.710 -0.199
230 2HH1 ARG 30 HH2 ARG 30 -8.161 -7.708 -0.754
231 1HH2 ARG 30 HH1 ARG 30 -8.370 -11.163 -0.967
232 2HH2 ARG 30 HH1 ARG 30 -9.209 -9.665 -1.186
233 H ARG 31 HN ARG 31 -1.760 -10.117 4.735
234 HA ARG 31 HA ARG 31 -2.342 -7.448 5.527
235 1HB ARG 31 HB3 ARG 31 -2.053 -8.969 7.303
236 2HB ARG 31 HB2 ARG 31 -0.537 -9.587 6.657
237 1HG ARG 31 HG2 ARG 31 0.466 -7.281 7.087
238 2HG ARG 31 HG3 ARG 31 -1.024 -6.882 7.944
239 1HD ARG 31 HD2 ARG 31 0.953 -9.081 8.613
240 2HD ARG 31 HD3 ARG 31 0.589 -7.643 9.576
241 HE ARG 31 HE ARG 31 -1.867 -9.104 9.201
242 1HH1 ARG 31 HH2 ARG 31 0.387 -8.333 11.505
243 2HH1 ARG 31 HH2 ARG 31 0.190 -9.763 12.463
244 1HH2 ARG 31 HH1 ARG 31 -1.761 -11.395 10.106
245 2HH2 ARG 31 HH1 ARG 31 -1.025 -11.496 11.671
246 H LEU 32 HN LEU 32 0.784 -8.886 4.566
247 HA LEU 32 HA LEU 32 2.484 -6.774 4.846
248 1HB LEU 32 HB3 LEU 32 2.882 -9.110 3.767
249 2HB LEU 32 HB2 LEU 32 2.442 -8.331 2.255
250 HG LEU 32 HG LEU 32 4.927 -8.454 2.714
251 1HD1 LEU 32 HD2 LEU 32 4.205 -5.556 2.578
252 2HD1 LEU 32 HD2 LEU 32 5.335 -6.483 1.597
253 3HD1 LEU 32 HD2 LEU 32 3.604 -6.635 1.319
254 1HD2 LEU 32 HD1 LEU 32 5.952 -7.236 4.417
255 2HD2 LEU 32 HD1 LEU 32 4.577 -6.160 4.624
256 3HD2 LEU 32 HD1 LEU 32 4.500 -7.819 5.228
257 H TYR 33 HN TYR 33 -0.231 -6.943 2.664
258 HA TYR 33 HA TYR 33 0.721 -4.477 1.300
259 1HB TYR 33 HB2 TYR 33 -1.555 -6.365 0.657
260 2HB TYR 33 HB3 TYR 33 -1.196 -4.925 -0.259
261 HD1 TYR 33 HD1 TYR 33 -0.980 -8.195 -0.691
262 HD2 TYR 33 HD2 TYR 33 1.759 -4.915 -0.330
263 HE1 TYR 33 HE1 TYR 33 0.729 -9.464 -1.960
264 HE2 TYR 33 HE2 TYR 33 3.471 -6.201 -1.560
265 HH TYR 33 HH TYR 33 3.427 -9.380 -1.969
266 H GLU 34 HN GLU 34 -1.944 -5.691 3.319
267 HA GLU 34 HA GLU 34 -3.244 -3.055 3.307
268 1HB GLU 34 HB3 GLU 34 -3.722 -5.585 4.917
269 2HB GLU 34 HB2 GLU 34 -4.634 -4.100 5.190
270 1HG GLU 34 HG2 GLU 34 -5.772 -4.270 3.183
271 2HG GLU 34 HG3 GLU 34 -4.460 -5.140 2.388
272 H LYS 35 HN LYS 35 -0.439 -4.101 4.551
273 HA LYS 35 HA LYS 35 -0.735 -2.610 7.114
274 1HB LYS 35 HB3 LYS 35 0.022 -4.729 7.656
275 2HB LYS 35 HB2 LYS 35 0.845 -4.939 6.128
276 1HG LYS 35 HG2 LYS 35 1.939 -2.874 8.020
277 2HG LYS 35 HG3 LYS 35 2.198 -4.572 8.412
278 1HD LYS 35 HD3 LYS 35 2.753 -4.398 5.670
279 2HD LYS 35 HD2 LYS 35 3.452 -2.929 6.346
280 1HE LYS 35 HE3 LYS 35 4.915 -5.083 6.287
281 2HE LYS 35 HE2 LYS 35 4.905 -4.127 7.766
282 1HZ LYS 35 HZ1 LYS 35 3.815 -5.720 8.886
283 2HZ LYS 35 HZ2 LYS 35 2.829 -6.141 7.568
284 3HZ LYS 35 HZ3 LYS 35 4.413 -6.748 7.677
285 H LYS 36 HN LYS 36 1.233 -2.889 4.190
286 HA LYS 36 HA LYS 36 3.301 -0.960 4.896
287 1HB LYS 36 HB3 LYS 36 2.076 -1.851 2.255
288 2HB LYS 36 HB2 LYS 36 3.326 -0.608 2.315
289 1HG LYS 36 HG3 LYS 36 3.785 -3.239 3.677
290 2HG LYS 36 HG2 LYS 36 4.032 -3.104 1.946
291 1HD LYS 36 HD3 LYS 36 5.740 -1.482 2.192
292 2HD LYS 36 HD2 LYS 36 5.282 -1.126 3.855
293 1HE LYS 36 HE2 LYS 36 6.832 -3.458 2.773
294 2HE LYS 36 HE3 LYS 36 7.159 -2.464 4.192
295 1HZ LYS 36 HZ1 LYS 36 5.089 -4.555 3.882
296 2HZ LYS 36 HZ2 LYS 36 6.390 -4.531 4.974
297 3HZ LYS 36 HZ3 LYS 36 5.092 -3.451 5.169
298 H ILE 37 HN ILE 37 0.270 -0.954 3.415
299 HA ILE 37 HA ILE 37 -0.230 1.658 2.644
300 HB ILE 37 HB ILE 37 -1.346 -0.765 2.514
301 1HG1 ILE 37 HG1 ILE 37 -1.899 1.350 1.178
302 2HG1 ILE 37 HG1 ILE 37 -3.245 0.249 1.439
303 1HG2 ILE 37 HG2 ILE 37 -2.828 0.636 4.752
304 2HG2 ILE 37 HG2 ILE 37 -3.604 -0.569 3.743
305 3HG2 ILE 37 HG2 ILE 37 -2.200 -1.015 4.717
306 1HD1 ILE 37 HD1 ILE 37 -3.870 1.645 3.467
307 2HD1 ILE 37 HD1 ILE 37 -2.672 2.822 2.924
308 3HD1 ILE 37 HD1 ILE 37 -4.067 2.456 1.912
309 H PHE 38 HN PHE 38 0.560 0.796 5.788
310 HA PHE 38 HA PHE 38 -1.322 2.745 7.003
311 1HB PHE 38 HB2 PHE 38 -1.259 0.531 8.055
312 2HB PHE 38 HB3 PHE 38 0.481 0.629 8.229
313 HD1 PHE 38 HD1 PHE 38 -2.766 1.956 9.424
314 HD2 PHE 38 HD2 PHE 38 1.507 1.980 9.927
315 HE1 PHE 38 HE1 PHE 38 -3.026 3.114 11.603
316 HE2 PHE 38 HE2 PHE 38 1.242 3.141 12.107
317 HZ PHE 38 HZ PHE 38 -1.025 3.706 12.944
318 H GLU 39 HN GLU 39 2.133 1.790 7.247
319 HA GLU 39 HA GLU 39 2.869 4.414 8.298
320 1HB GLU 39 HB3 GLU 39 5.089 3.546 8.416
321 2HB GLU 39 HB2 GLU 39 4.049 2.173 8.785
322 1HG GLU 39 HG2 GLU 39 4.252 1.298 6.564
323 2HG GLU 39 HG3 GLU 39 5.069 2.785 6.014
324 H TYR 40 HN TYR 40 2.229 3.178 5.219
325 HA TYR 40 HA TYR 40 4.142 4.618 3.642
326 1HB TYR 40 HB2 TYR 40 2.627 2.803 2.778
327 2HB TYR 40 HB3 TYR 40 1.278 3.929 2.906
328 HD1 TYR 40 HD1 TYR 40 4.207 2.946 0.984
329 HD2 TYR 40 HD2 TYR 40 1.276 6.034 1.549
330 HE1 TYR 40 HE1 TYR 40 4.798 3.911 -1.223
331 HE2 TYR 40 HE2 TYR 40 1.865 6.997 -0.656
332 HH TYR 40 HH TYR 40 3.023 5.790 -2.939
333 H GLU 41 HN GLU 41 1.230 5.513 5.312
334 HA GLU 41 HA GLU 41 1.256 8.216 4.058
335 1HB GLU 41 HB3 GLU 41 -0.780 6.502 5.389
336 2HB GLU 41 HB2 GLU 41 -0.895 8.233 5.721
337 1HG GLU 41 HG3 GLU 41 -0.367 7.873 2.924
338 2HG GLU 41 HG2 GLU 41 -1.724 6.843 3.378
339 H THR 42 HN THR 42 1.149 6.670 7.292
340 HA THR 42 HA THR 42 1.518 9.066 8.792
341 HB THR 42 HB THR 42 2.059 6.152 9.352
342 HG1 THR 42 HG1 THR 42 -0.066 6.887 9.422
343 1HG2 THR 42 HG2 THR 42 2.682 6.694 11.628
344 2HG2 THR 42 HG2 THR 42 3.784 7.530 10.534
345 3HG2 THR 42 HG2 THR 42 2.476 8.418 11.315
346 H GLN 43 HN GLN 43 3.698 7.285 6.817
347 HA GLN 43 HA GLN 43 6.081 8.527 8.113
348 1HB GLN 43 HB3 GLN 43 5.925 6.565 5.793
349 2HB GLN 43 HB2 GLN 43 7.391 7.074 6.625
350 1HG GLN 43 HG3 GLN 43 5.109 5.757 8.132
351 2HG GLN 43 HG2 GLN 43 6.335 4.788 7.301
352 1HE2 GLN 43 HE2 GLN 43 8.011 7.680 8.293
353 2HE2 GLN 43 HE2 GLN 43 8.555 7.086 9.789
354 H ARG 44 HN ARG 44 4.063 10.077 6.664
355 HA ARG 44 HA ARG 44 4.068 11.894 5.126
356 1HB ARG 44 HB3 ARG 44 7.014 11.215 4.759
357 2HB ARG 44 HB2 ARG 44 6.239 12.753 4.389
358 1HG ARG 44 HG3 ARG 44 6.012 11.686 7.183
359 2HG ARG 44 HG2 ARG 44 7.553 12.366 6.671
360 1HD ARG 44 HD2 ARG 44 5.610 13.884 7.734
361 2HD ARG 44 HD3 ARG 44 6.742 14.509 6.531
362 HE ARG 44 HE ARG 44 4.706 13.626 4.886
363 1HH1 ARG 44 HH1 ARG 44 5.086 15.980 7.315
364 2HH1 ARG 44 HH1 ARG 44 3.445 16.533 7.251
365 1HH2 ARG 44 HH2 ARG 44 2.414 14.050 5.061
366 2HH2 ARG 44 HH2 ARG 44 1.933 15.441 5.975
367 H ARG 45 HN ARG 45 5.727 11.965 2.693
368 HA ARG 45 HA ARG 45 5.465 9.487 1.260
369 1HB ARG 45 HB3 ARG 45 3.150 9.758 1.269
370 2HB ARG 45 HB2 ARG 45 3.232 11.508 1.174
371 1HG ARG 45 HG3 ARG 45 4.158 11.271 -1.154
372 2HG ARG 45 HG2 ARG 45 3.865 9.539 -1.045
373 1HD ARG 45 HD2 ARG 45 1.855 11.795 -1.089
374 2HD ARG 45 HD3 ARG 45 1.929 10.370 -2.130
375 HE ARG 45 HE ARG 45 1.535 9.340 0.456
376 1HH1 ARG 45 HH2 ARG 45 -0.089 11.042 -2.034
377 2HH1 ARG 45 HH2 ARG 45 -1.638 10.984 -1.261
378 1HH2 ARG 45 HH1 ARG 45 -0.436 9.499 1.632
379 2HH2 ARG 45 HH1 ARG 45 -1.834 10.110 0.813
380 H ARG 46 HN ARG 46 4.790 12.925 0.265
381 HA ARG 46 HA ARG 46 6.993 12.651 -1.700
382 1HB ARG 46 HB2 ARG 46 5.025 14.928 -1.298
383 2HB ARG 46 HB3 ARG 46 6.092 14.702 -2.684
384 1HG ARG 46 HG2 ARG 46 4.919 12.491 -3.096
385 2HG ARG 46 HG3 ARG 46 3.763 12.953 -1.847
386 1HD ARG 46 HD2 ARG 46 3.645 15.195 -3.289
387 2HD ARG 46 HD3 ARG 46 4.180 14.107 -4.581
388 HE ARG 46 HE ARG 46 1.977 12.830 -3.211
389 1HH1 ARG 46 HH1 ARG 46 2.499 15.880 -4.718
390 2HH1 ARG 46 HH1 ARG 46 1.029 15.838 -5.633
391 1HH2 ARG 46 HH2 ARG 46 0.170 12.640 -4.601
392 2HH2 ARG 46 HH2 ARG 46 -0.290 14.002 -5.567
393 H LEU 47 HN LEU 47 5.952 15.455 0.246
394 HA LEU 47 HA LEU 47 7.222 16.890 1.641
395 1HB LEU 47 HB2 LEU 47 9.443 14.821 1.428
396 2HB LEU 47 HB3 LEU 47 9.240 16.038 2.684
397 HG LEU 47 HG LEU 47 6.868 14.354 2.404
398 1HD1 LEU 47 HD2 LEU 47 7.719 12.255 2.673
399 2HD1 LEU 47 HD2 LEU 47 9.149 12.937 1.897
400 3HD1 LEU 47 HD2 LEU 47 9.069 12.823 3.655
401 1HD2 LEU 47 HD1 LEU 47 7.533 14.023 4.911
402 2HD2 LEU 47 HD1 LEU 47 8.774 15.231 4.577
403 3HD2 LEU 47 HD1 LEU 47 7.069 15.642 4.382
404 H SER 48 HN SER 48 7.737 16.210 -1.493
405 HA SER 48 HA SER 48 9.002 18.580 -2.209
406 1HB SER 48 HB2 SER 48 10.860 16.780 -0.968
407 2HB SER 48 HB3 SER 48 11.288 16.945 -2.672
408 HG SER 48 HG SER 48 10.610 19.225 -1.197
409 HA PRO 49 HA PRO 49 7.756 15.581 -5.542
410 1HB PRO 49 HB3 PRO 49 5.504 16.957 -6.323
411 2HB PRO 49 HB2 PRO 49 5.500 15.671 -5.091
412 1HG PRO 49 HG2 PRO 49 5.299 18.636 -4.743
413 2HG PRO 49 HG3 PRO 49 4.670 17.343 -3.711
414 1HD PRO 49 HD3 PRO 49 7.024 18.870 -3.238
415 2HD PRO 49 HD2 PRO 49 6.580 17.369 -2.396
416 HA PRO 50 HA PRO 50 9.762 18.775 -8.067
417 1HB PRO 50 HB2 PRO 50 10.957 16.975 -9.771
418 2HB PRO 50 HB3 PRO 50 11.638 17.445 -8.205
419 1HG PRO 50 HG2 PRO 50 10.238 14.916 -8.982
420 2HG PRO 50 HG3 PRO 50 11.484 15.172 -7.750
421 1HD PRO 50 HD3 PRO 50 8.707 14.907 -7.263
422 2HD PRO 50 HD2 PRO 50 9.894 15.548 -6.106
423 H SER 51 HN SER 51 8.873 15.862 -9.980
424 HA SER 51 HA SER 51 6.775 17.485 -11.385
425 1HB SER 51 HB2 SER 51 8.413 15.846 -13.203
426 2HB SER 51 HB3 SER 51 7.828 17.499 -13.395
427 HG SER 51 HG SER 51 10.177 17.176 -13.158
428 H SER 52 HN SER 52 6.715 15.198 -9.504
429 HA SER 52 HA SER 52 5.180 13.344 -11.251
430 1HB SER 52 HB2 SER 52 7.371 12.290 -10.999
431 2HB SER 52 HB3 SER 52 7.299 12.493 -9.250
432 HG SER 52 HG SER 52 5.098 11.281 -9.836
433 H SER 53 HN SER 53 6.009 12.610 -7.927
434 HA SER 53 HA SER 53 4.007 13.955 -6.507
435 1HB SER 53 HB2 SER 53 2.259 12.071 -6.420
436 2HB SER 53 HB3 SER 53 2.283 13.059 -7.880
437 HG SER 53 HG SER 53 3.485 11.455 -8.899
Start of MODEL 10
1 2H ASP 1 HN2 ASP 1 -12.741 3.276 8.999
2 3H ASP 1 HN3 ASP 1 -12.160 4.844 8.700
3 H ASP 1 HN ASP 1 -11.521 3.936 9.982
4 HA ASP 1 HA ASP 1 -10.624 4.057 7.340
5 1HB ASP 1 HB3 ASP 1 -8.798 2.750 8.226
6 2HB ASP 1 HB2 ASP 1 -9.318 3.855 9.498
7 H ASN 2 HN ASN 2 -10.839 2.665 5.637
8 HA ASN 2 HA ASN 2 -12.613 0.321 5.993
9 1HB ASN 2 HB3 ASN 2 -12.336 0.185 3.428
10 2HB ASN 2 HB2 ASN 2 -13.094 1.694 3.999
11 1HD2 ASN 2 HD2 ASN 2 -9.683 0.430 3.414
12 2HD2 ASN 2 HD2 ASN 2 -9.149 1.890 2.733
13 H TYR 3 HN TYR 3 -9.880 0.299 7.131
14 HA TYR 3 HA TYR 3 -8.019 -1.174 5.558
15 1HB TYR 3 HB2 TYR 3 -8.525 -0.884 8.480
16 2HB TYR 3 HB3 TYR 3 -7.662 -2.339 7.994
17 HD1 TYR 3 HD1 TYR 3 -5.419 -2.044 8.513
18 HD2 TYR 3 HD2 TYR 3 -7.531 1.175 6.588
19 HE1 TYR 3 HE1 TYR 3 -3.337 -0.774 8.350
20 HE2 TYR 3 HE2 TYR 3 -5.434 2.451 6.423
21 HH TYR 3 HH TYR 3 -2.603 1.328 6.477
22 H ALA 4 HN ALA 4 -11.093 -2.121 6.821
23 HA ALA 4 HA ALA 4 -10.488 -4.995 6.341
24 1HB ALA 4 HB1 ALA 4 -12.321 -3.533 8.069
25 2HB ALA 4 HB2 ALA 4 -13.169 -4.751 7.116
26 3HB ALA 4 HB3 ALA 4 -11.820 -5.222 8.151
27 H ASP 5 HN ASP 5 -12.951 -2.548 5.473
28 HA ASP 5 HA ASP 5 -14.032 -4.181 3.326
29 1HB ASP 5 HB2 ASP 5 -15.073 -2.149 4.712
30 2HB ASP 5 HB3 ASP 5 -14.424 -1.218 3.361
31 H LEU 6 HN LEU 6 -12.550 -4.631 1.726
32 HA LEU 6 HA LEU 6 -11.948 -2.765 -0.296
33 1HB LEU 6 HB3 LEU 6 -9.405 -2.609 0.218
34 2HB LEU 6 HB2 LEU 6 -10.448 -1.645 1.246
35 HG LEU 6 HG LEU 6 -10.414 -3.804 2.711
36 1HD1 LEU 6 HD1 LEU 6 -8.035 -4.020 0.885
37 2HD1 LEU 6 HD1 LEU 6 -7.889 -4.537 2.563
38 3HD1 LEU 6 HD1 LEU 6 -9.067 -5.311 1.500
39 1HD2 LEU 6 HD2 LEU 6 -7.866 -2.290 2.738
40 2HD2 LEU 6 HD2 LEU 6 -9.329 -1.305 2.671
41 3HD2 LEU 6 HD2 LEU 6 -9.089 -2.448 3.993
42 H SER 7 HN SER 7 -12.825 -5.168 -0.529
43 HA SER 7 HA SER 7 -11.351 -7.476 -0.669
44 1HB SER 7 HB2 SER 7 -13.584 -6.384 -2.189
45 2HB SER 7 HB3 SER 7 -12.539 -7.398 -3.224
46 HG SER 7 HG SER 7 -14.033 -8.704 -2.196
47 H ASP 8 HN ASP 8 -10.305 -8.488 -2.701
48 HA ASP 8 HA ASP 8 -7.844 -7.644 -3.275
49 1HB ASP 8 HB3 ASP 8 -7.846 -8.832 -5.313
50 2HB ASP 8 HB2 ASP 8 -9.057 -9.601 -4.300
51 H THR 9 HN THR 9 -10.572 -6.345 -5.251
52 HA THR 9 HA THR 9 -9.113 -4.707 -6.929
53 HB THR 9 HB THR 9 -11.768 -4.187 -5.577
54 HG1 THR 9 HG1 THR 9 -11.123 -4.548 -8.301
55 1HG2 THR 9 HG2 THR 9 -11.618 -1.995 -6.112
56 2HG2 THR 9 HG2 THR 9 -10.028 -2.232 -6.841
57 3HG2 THR 9 HG2 THR 9 -11.488 -2.464 -7.805
58 H GLU 10 HN GLU 10 -10.410 -3.608 -3.768
59 HA GLU 10 HA GLU 10 -9.013 -1.161 -3.639
60 1HB GLU 10 HB3 GLU 10 -9.790 -3.062 -1.453
61 2HB GLU 10 HB2 GLU 10 -9.058 -1.490 -1.143
62 1HG GLU 10 HG2 GLU 10 -11.002 -0.758 -2.803
63 2HG GLU 10 HG3 GLU 10 -11.738 -2.175 -2.086
64 H LEU 11 HN LEU 11 -8.022 -4.295 -2.261
65 HA LEU 11 HA LEU 11 -5.637 -3.526 -1.055
66 1HB LEU 11 HB3 LEU 11 -6.387 -5.915 -1.163
67 2HB LEU 11 HB2 LEU 11 -5.815 -5.972 -2.836
68 HG LEU 11 HG LEU 11 -3.901 -4.832 -0.917
69 1HD1 LEU 11 HD2 LEU 11 -3.810 -7.752 -0.820
70 2HD1 LEU 11 HD2 LEU 11 -3.671 -6.582 0.490
71 3HD1 LEU 11 HD2 LEU 11 -5.262 -7.098 -0.066
72 1HD2 LEU 11 HD1 LEU 11 -2.775 -5.202 -2.833
73 2HD2 LEU 11 HD1 LEU 11 -2.667 -6.854 -2.265
74 3HD2 LEU 11 HD1 LEU 11 -3.930 -6.407 -3.397
75 H THR 12 HN THR 12 -6.037 -4.434 -4.425
76 HA THR 12 HA THR 12 -3.403 -3.608 -5.249
77 HB THR 12 HB THR 12 -5.629 -3.685 -7.231
78 HG1 THR 12 HG1 THR 12 -6.403 -5.478 -6.529
79 1HG2 THR 12 HG2 THR 12 -3.255 -3.653 -7.894
80 2HG2 THR 12 HG2 THR 12 -2.959 -5.095 -6.916
81 3HG2 THR 12 HG2 THR 12 -3.989 -5.193 -8.349
82 H THR 13 HN THR 13 -6.509 -2.008 -4.901
83 HA THR 13 HA THR 13 -5.618 0.375 -6.361
84 HB THR 13 HB THR 13 -7.863 0.735 -4.494
85 HG1 THR 13 HG1 THR 13 -9.241 -0.597 -5.789
86 1HG2 THR 13 HG2 THR 13 -8.874 1.163 -6.933
87 2HG2 THR 13 HG2 THR 13 -7.858 2.356 -6.101
88 3HG2 THR 13 HG2 THR 13 -7.156 1.289 -7.319
89 H LEU 14 HN LEU 14 -4.881 -1.024 -3.445
90 HA LEU 14 HA LEU 14 -4.262 1.580 -2.167
91 1HB LEU 14 HB3 LEU 14 -4.694 -1.097 -0.811
92 2HB LEU 14 HB2 LEU 14 -4.264 0.401 0.001
93 HG LEU 14 HG LEU 14 -6.827 -0.033 -1.590
94 1HD1 LEU 14 HD2 LEU 14 -6.199 -0.184 1.366
95 2HD1 LEU 14 HD2 LEU 14 -7.838 0.058 0.764
96 3HD1 LEU 14 HD2 LEU 14 -6.957 -1.415 0.361
97 1HD2 LEU 14 HD1 LEU 14 -6.159 2.183 0.379
98 2HD2 LEU 14 HD1 LEU 14 -6.027 2.366 -1.372
99 3HD2 LEU 14 HD1 LEU 14 -7.592 2.045 -0.632
100 H LEU 15 HN LEU 15 -3.105 -1.203 -3.688
101 HA LEU 15 HA LEU 15 -0.372 -0.983 -2.518
102 1HB LEU 15 HB3 LEU 15 -2.118 -3.275 -3.291
103 2HB LEU 15 HB2 LEU 15 -0.391 -3.536 -3.591
104 HG LEU 15 HG LEU 15 -1.166 -4.231 -1.352
105 1HD1 LEU 15 HD2 LEU 15 0.972 -2.129 -1.730
106 2HD1 LEU 15 HD2 LEU 15 0.865 -3.121 -0.286
107 3HD1 LEU 15 HD2 LEU 15 1.174 -3.871 -1.852
108 1HD2 LEU 15 HD1 LEU 15 -2.598 -2.085 -1.006
109 2HD2 LEU 15 HD1 LEU 15 -1.609 -2.619 0.351
110 3HD2 LEU 15 HD1 LEU 15 -1.059 -1.289 -0.667
111 H ARG 16 HN ARG 16 -2.288 -0.309 -5.099
112 HA ARG 16 HA ARG 16 -0.004 -0.302 -7.051
113 1HB ARG 16 HB2 ARG 16 -2.146 -1.828 -7.402
114 2HB ARG 16 HB3 ARG 16 -2.907 -0.324 -7.865
115 1HG ARG 16 HG2 ARG 16 -0.317 -0.580 -9.154
116 2HG ARG 16 HG3 ARG 16 -1.347 -1.963 -9.512
117 1HD ARG 16 HD3 ARG 16 -2.498 0.810 -9.673
118 2HD ARG 16 HD2 ARG 16 -1.512 0.198 -11.002
119 HE ARG 16 HE ARG 16 -3.737 -1.528 -10.092
120 1HH1 ARG 16 HH1 ARG 16 -4.418 1.171 -11.514
121 2HH1 ARG 16 HH1 ARG 16 -4.656 0.599 -13.131
122 1HH2 ARG 16 HH2 ARG 16 -3.175 -2.480 -12.543
123 2HH2 ARG 16 HH2 ARG 16 -3.952 -1.468 -13.713
124 H ARG 17 HN ARG 17 -2.447 1.558 -5.356
125 HA ARG 17 HA ARG 17 -2.490 3.696 -7.343
126 1HB ARG 17 HB2 ARG 17 -4.332 4.438 -6.217
127 2HB ARG 17 HB3 ARG 17 -4.345 2.813 -5.581
128 1HG ARG 17 HG2 ARG 17 -3.551 5.390 -4.268
129 2HG ARG 17 HG3 ARG 17 -4.610 4.113 -3.679
130 1HD ARG 17 HD2 ARG 17 -2.135 2.875 -3.982
131 2HD ARG 17 HD3 ARG 17 -1.745 4.476 -3.338
132 HE ARG 17 HE ARG 17 -2.695 2.396 -1.721
133 1HH1 ARG 17 HH2 ARG 17 -3.358 5.708 -2.383
134 2HH1 ARG 17 HH2 ARG 17 -4.508 5.874 -1.100
135 1HH2 ARG 17 HH1 ARG 17 -4.357 2.541 -0.172
136 2HH2 ARG 17 HH1 ARG 17 -5.071 4.084 0.154
137 H TYR 18 HN TYR 18 -0.549 2.782 -4.729
138 HA TYR 18 HA TYR 18 0.672 5.500 -4.500
139 1HB TYR 18 HB2 TYR 18 0.565 3.131 -2.629
140 2HB TYR 18 HB3 TYR 18 1.895 4.270 -2.511
141 HD1 TYR 18 HD1 TYR 18 -0.892 3.424 -0.906
142 HD2 TYR 18 HD2 TYR 18 0.720 6.913 -2.833
143 HE1 TYR 18 HE1 TYR 18 -2.301 4.858 0.531
144 HE2 TYR 18 HE2 TYR 18 -0.699 8.352 -1.401
145 HH TYR 18 HH TYR 18 -2.813 6.944 1.105
146 H ASN 19 HN ASN 19 1.122 2.192 -5.445
147 HA ASN 19 HA ASN 19 2.822 1.290 -6.796
148 1HB ASN 19 HB3 ASN 19 3.312 3.736 -7.405
149 2HB ASN 19 HB2 ASN 19 4.549 3.680 -6.147
150 1HD2 ASN 19 HD2 ASN 19 4.641 0.579 -7.079
151 2HD2 ASN 19 HD2 ASN 19 5.727 0.659 -8.378
152 H ILE 20 HN ILE 20 2.338 0.629 -4.161
153 HA ILE 20 HA ILE 20 4.831 0.618 -2.586
154 HB ILE 20 HB ILE 20 2.100 -0.810 -2.436
155 1HG1 ILE 20 HG1 ILE 20 3.098 0.928 -0.209
156 2HG1 ILE 20 HG1 ILE 20 2.568 1.737 -1.695
157 1HG2 ILE 20 HG2 ILE 20 4.169 -2.114 -1.472
158 2HG2 ILE 20 HG2 ILE 20 4.020 -0.961 -0.140
159 3HG2 ILE 20 HG2 ILE 20 2.669 -2.011 -0.551
160 1HD1 ILE 20 HD1 ILE 20 0.833 1.174 0.211
161 2HD1 ILE 20 HD1 ILE 20 0.387 0.986 -1.485
162 3HD1 ILE 20 HD1 ILE 20 0.851 -0.424 -0.533
163 HA PRO 21 HA PRO 21 6.482 -2.568 -5.158
164 1HB PRO 21 HB2 PRO 21 8.325 -3.599 -3.326
165 2HB PRO 21 HB3 PRO 21 8.612 -2.214 -4.396
166 1HG PRO 21 HG3 PRO 21 7.831 -2.236 -1.482
167 2HG PRO 21 HG2 PRO 21 8.930 -1.138 -2.337
168 1HD PRO 21 HD3 PRO 21 6.389 -0.395 -1.698
169 2HD PRO 21 HD2 PRO 21 7.166 0.172 -3.172
170 H HIS 22 HN HIS 22 4.591 -3.699 -5.261
171 HA HIS 22 HA HIS 22 4.290 -5.987 -3.358
172 1HB HIS 22 HB2 HIS 22 1.929 -5.814 -3.482
173 2HB HIS 22 HB3 HIS 22 2.450 -4.145 -3.306
174 HD1 HIS 22 HD1 HIS 22 2.493 -2.703 -5.587
175 HD2 HIS 22 HD2 HIS 22 0.696 -6.435 -5.847
176 HE1 HIS 22 HE1 HIS 22 1.260 -2.735 -7.794
177 H GLY 23 HN GLY 23 3.886 -8.013 -4.384
178 1HA GLY 23 HA1 GLY 23 4.124 -7.957 -7.355
179 2HA GLY 23 HA2 GLY 23 4.650 -9.292 -6.335
180 HA PRO 24 HA PRO 24 0.525 -10.820 -7.215
181 1HB PRO 24 HB2 PRO 24 0.809 -13.202 -5.890
182 2HB PRO 24 HB3 PRO 24 1.467 -12.900 -7.504
183 1HG PRO 24 HG2 PRO 24 2.889 -13.049 -4.878
184 2HG PRO 24 HG3 PRO 24 3.501 -13.397 -6.501
185 1HD PRO 24 HD2 PRO 24 3.958 -11.015 -5.014
186 2HD PRO 24 HD3 PRO 24 4.289 -11.267 -6.748
187 H VAL 25 HN VAL 25 -1.317 -10.342 -6.023
188 HA VAL 25 HA VAL 25 -1.053 -9.941 -3.106
189 HB VAL 25 HB VAL 25 -3.527 -9.627 -4.839
190 1HG1 VAL 25 HG2 VAL 25 -4.231 -8.177 -2.936
191 2HG1 VAL 25 HG2 VAL 25 -3.987 -9.854 -2.453
192 3HG1 VAL 25 HG2 VAL 25 -2.763 -8.642 -2.077
193 1HG2 VAL 25 HG1 VAL 25 -1.617 -7.442 -3.909
194 2HG2 VAL 25 HG1 VAL 25 -1.556 -8.176 -5.515
195 3HG2 VAL 25 HG1 VAL 25 -2.984 -7.282 -5.015
196 H VAL 26 HN VAL 26 -0.627 -12.261 -2.714
197 HA VAL 26 HA VAL 26 -2.900 -14.101 -3.174
198 HB VAL 26 HB VAL 26 -1.371 -15.850 -2.491
199 1HG1 VAL 26 HG1 VAL 26 -0.505 -15.685 -4.562
200 2HG1 VAL 26 HG1 VAL 26 -0.792 -13.945 -4.571
201 3HG1 VAL 26 HG1 VAL 26 0.721 -14.586 -3.932
202 1HG2 VAL 26 HG2 VAL 26 -0.265 -13.819 -0.890
203 2HG2 VAL 26 HG2 VAL 26 0.308 -15.482 -1.025
204 3HG2 VAL 26 HG2 VAL 26 1.000 -14.225 -2.050
205 H GLY 27 HN GLY 27 -2.848 -15.792 -1.093
206 1HA GLY 27 HA1 GLY 27 -3.893 -14.137 1.129
207 2HA GLY 27 HA2 GLY 27 -4.132 -15.876 0.934
208 H SER 28 HN SER 28 -2.021 -13.410 2.155
209 HA SER 28 HA SER 28 -0.851 -14.776 4.233
210 1HB SER 28 HB3 SER 28 0.069 -16.516 2.911
211 2HB SER 28 HB2 SER 28 0.532 -15.408 1.620
212 HG SER 28 HG SER 28 2.387 -15.397 2.585
213 H THR 29 HN THR 29 0.250 -12.962 1.375
214 HA THR 29 HA THR 29 1.847 -11.138 3.058
215 HB THR 29 HB THR 29 1.870 -9.976 0.579
216 HG1 THR 29 HG1 THR 29 0.335 -11.517 -0.165
217 1HG2 THR 29 HG2 THR 29 3.398 -12.471 1.416
218 2HG2 THR 29 HG2 THR 29 3.810 -11.486 0.015
219 3HG2 THR 29 HG2 THR 29 3.907 -10.793 1.633
220 H ARG 30 HN ARG 30 -1.337 -11.508 2.677
221 HA ARG 30 HA ARG 30 -2.261 -8.920 1.885
222 1HB ARG 30 HB3 ARG 30 -3.844 -10.708 1.853
223 2HB ARG 30 HB2 ARG 30 -3.511 -11.120 3.534
224 1HG ARG 30 HG2 ARG 30 -5.065 -9.656 4.245
225 2HG ARG 30 HG3 ARG 30 -4.279 -8.346 3.361
226 1HD ARG 30 HD3 ARG 30 -5.427 -9.261 1.250
227 2HD ARG 30 HD2 ARG 30 -6.387 -10.278 2.329
228 HE ARG 30 HE ARG 30 -6.451 -7.464 3.088
229 1HH1 ARG 30 HH1 ARG 30 -8.703 -9.487 3.324
230 2HH1 ARG 30 HH1 ARG 30 -9.811 -8.906 2.126
231 1HH2 ARG 30 HH2 ARG 30 -7.467 -6.890 0.556
232 2HH2 ARG 30 HH2 ARG 30 -9.111 -7.435 0.559
233 H ARG 31 HN ARG 31 -1.198 -10.242 4.978
234 HA ARG 31 HA ARG 31 -2.103 -7.896 6.471
235 1HB ARG 31 HB3 ARG 31 -1.861 -10.125 7.541
236 2HB ARG 31 HB2 ARG 31 -0.121 -10.045 7.276
237 1HG ARG 31 HG3 ARG 31 -1.064 -7.599 8.509
238 2HG ARG 31 HG2 ARG 31 -1.547 -8.996 9.474
239 1HD ARG 31 HD2 ARG 31 1.258 -8.326 8.523
240 2HD ARG 31 HD3 ARG 31 0.666 -8.249 10.189
241 HE ARG 31 HE ARG 31 0.230 -10.928 9.227
242 1HH1 ARG 31 HH2 ARG 31 2.530 -8.755 10.568
243 2HH1 ARG 31 HH2 ARG 31 3.762 -9.957 10.766
244 1HH2 ARG 31 HH1 ARG 31 1.927 -12.469 9.232
245 2HH2 ARG 31 HH1 ARG 31 3.419 -12.061 10.010
246 H LEU 32 HN LEU 32 0.165 -8.175 4.204
247 HA LEU 32 HA LEU 32 2.088 -6.394 5.600
248 1HB LEU 32 HB3 LEU 32 3.300 -8.261 4.672
249 2HB LEU 32 HB2 LEU 32 2.410 -8.171 3.154
250 HG LEU 32 HG LEU 32 3.423 -5.797 2.885
251 1HD1 LEU 32 HD1 LEU 32 4.490 -5.108 4.798
252 2HD1 LEU 32 HD1 LEU 32 4.625 -6.755 5.409
253 3HD1 LEU 32 HD1 LEU 32 5.808 -6.149 4.254
254 1HD2 LEU 32 HD2 LEU 32 4.166 -7.811 1.631
255 2HD2 LEU 32 HD2 LEU 32 5.440 -6.625 1.918
256 3HD2 LEU 32 HD2 LEU 32 5.372 -8.100 2.888
257 H TYR 33 HN TYR 33 -0.018 -6.848 2.809
258 HA TYR 33 HA TYR 33 0.730 -4.297 1.590
259 1HB TYR 33 HB2 TYR 33 -1.471 -6.289 0.983
260 2HB TYR 33 HB3 TYR 33 -1.257 -4.810 0.082
261 HD1 TYR 33 HD1 TYR 33 1.755 -4.656 -0.026
262 HD2 TYR 33 HD2 TYR 33 -0.912 -7.983 -0.543
263 HE1 TYR 33 HE1 TYR 33 3.454 -5.805 -1.399
264 HE2 TYR 33 HE2 TYR 33 0.785 -9.110 -1.954
265 HH TYR 33 HH TYR 33 3.482 -8.941 -2.023
266 H GLU 34 HN GLU 34 -2.054 -5.578 3.425
267 HA GLU 34 HA GLU 34 -3.403 -2.997 3.448
268 1HB GLU 34 HB3 GLU 34 -3.736 -5.518 5.103
269 2HB GLU 34 HB2 GLU 34 -4.727 -4.079 5.352
270 1HG GLU 34 HG3 GLU 34 -4.567 -5.825 2.889
271 2HG GLU 34 HG2 GLU 34 -5.982 -5.474 3.880
272 H LYS 35 HN LYS 35 -0.636 -4.163 4.882
273 HA LYS 35 HA LYS 35 -0.931 -2.465 7.292
274 1HB LYS 35 HB3 LYS 35 0.172 -4.133 8.352
275 2HB LYS 35 HB2 LYS 35 -0.342 -5.064 6.981
276 1HG LYS 35 HG2 LYS 35 1.963 -5.569 7.329
277 2HG LYS 35 HG3 LYS 35 1.863 -4.580 5.892
278 1HD LYS 35 HD3 LYS 35 3.640 -4.080 7.785
279 2HD LYS 35 HD2 LYS 35 2.881 -2.778 6.886
280 1HE LYS 35 HE2 LYS 35 1.444 -2.229 8.664
281 2HE LYS 35 HE3 LYS 35 1.651 -3.796 9.441
282 1HZ LYS 35 HZ1 LYS 35 3.127 -1.436 9.835
283 2HZ LYS 35 HZ2 LYS 35 3.272 -2.925 10.641
284 3HZ LYS 35 HZ3 LYS 35 4.167 -2.630 9.228
285 H LYS 36 HN LYS 36 0.922 -2.872 4.415
286 HA LYS 36 HA LYS 36 3.193 -1.172 5.175
287 1HB LYS 36 HB3 LYS 36 2.074 -2.346 2.627
288 2HB LYS 36 HB2 LYS 36 3.256 -1.041 2.508
289 1HG LYS 36 HG2 LYS 36 3.713 -3.546 4.161
290 2HG LYS 36 HG3 LYS 36 4.226 -3.401 2.478
291 1HD LYS 36 HD2 LYS 36 5.128 -1.044 3.752
292 2HD LYS 36 HD3 LYS 36 5.504 -2.356 4.865
293 1HE LYS 36 HE3 LYS 36 7.257 -1.754 3.032
294 2HE LYS 36 HE2 LYS 36 6.882 -3.455 3.296
295 1HZ LYS 36 HZ1 LYS 36 5.189 -2.059 1.391
296 2HZ LYS 36 HZ2 LYS 36 6.802 -2.289 0.913
297 3HZ LYS 36 HZ3 LYS 36 5.837 -3.625 1.324
298 H ILE 37 HN ILE 37 0.244 -1.040 3.525
299 HA ILE 37 HA ILE 37 -0.002 1.575 2.616
300 HB ILE 37 HB ILE 37 -1.294 -0.756 2.490
301 1HG1 ILE 37 HG1 ILE 37 -1.629 1.505 1.174
302 2HG1 ILE 37 HG1 ILE 37 -2.918 0.313 1.168
303 1HG2 ILE 37 HG2 ILE 37 -2.275 -0.910 4.646
304 2HG2 ILE 37 HG2 ILE 37 -2.774 0.785 4.635
305 3HG2 ILE 37 HG2 ILE 37 -3.593 -0.374 3.604
306 1HD1 ILE 37 HD1 ILE 37 -4.001 1.529 3.080
307 2HD1 ILE 37 HD1 ILE 37 -2.749 2.766 2.947
308 3HD1 ILE 37 HD1 ILE 37 -3.877 2.511 1.620
309 H PHE 38 HN PHE 38 0.545 0.763 5.824
310 HA PHE 38 HA PHE 38 -1.254 2.878 6.881
311 1HB PHE 38 HB2 PHE 38 -1.356 0.688 7.992
312 2HB PHE 38 HB3 PHE 38 0.372 0.718 8.268
313 HD1 PHE 38 HD1 PHE 38 1.359 2.109 9.965
314 HD2 PHE 38 HD2 PHE 38 -2.882 2.186 9.238
315 HE1 PHE 38 HE1 PHE 38 1.014 3.350 12.089
316 HE2 PHE 38 HE2 PHE 38 -3.220 3.428 11.360
317 HZ PHE 38 HZ PHE 38 -1.274 4.008 12.785
318 H GLU 39 HN GLU 39 2.128 1.734 7.314
319 HA GLU 39 HA GLU 39 2.985 4.343 8.310
320 1HB GLU 39 HB2 GLU 39 5.168 3.373 8.460
321 2HB GLU 39 HB3 GLU 39 4.050 2.084 8.897
322 1HG GLU 39 HG2 GLU 39 4.232 1.047 6.768
323 2HG GLU 39 HG3 GLU 39 5.032 2.483 6.079
324 H TYR 40 HN TYR 40 2.300 3.120 5.234
325 HA TYR 40 HA TYR 40 4.345 4.411 3.688
326 1HB TYR 40 HB2 TYR 40 2.903 2.797 2.605
327 2HB TYR 40 HB3 TYR 40 1.466 3.725 3.024
328 HD1 TYR 40 HD1 TYR 40 1.133 6.017 2.018
329 HD2 TYR 40 HD2 TYR 40 4.212 3.336 0.684
330 HE1 TYR 40 HE1 TYR 40 1.379 7.337 -0.068
331 HE2 TYR 40 HE2 TYR 40 4.458 4.655 -1.401
332 HH TYR 40 HH TYR 40 3.938 7.230 -2.018
333 H GLU 41 HN GLU 41 1.277 5.496 5.043
334 HA GLU 41 HA GLU 41 1.554 8.181 3.854
335 1HB GLU 41 HB3 GLU 41 -0.519 6.654 5.341
336 2HB GLU 41 HB2 GLU 41 -0.486 8.394 5.653
337 1HG GLU 41 HG3 GLU 41 -0.179 7.811 2.815
338 2HG GLU 41 HG2 GLU 41 -1.675 7.134 3.460
339 H THR 42 HN THR 42 2.480 6.515 6.716
340 HA THR 42 HA THR 42 2.976 9.103 8.117
341 HB THR 42 HB THR 42 2.373 6.320 9.039
342 HG1 THR 42 HG1 THR 42 1.764 8.706 10.357
343 1HG2 THR 42 HG2 THR 42 4.546 6.744 10.097
344 2HG2 THR 42 HG2 THR 42 3.975 8.314 10.665
345 3HG2 THR 42 HG2 THR 42 3.253 6.832 11.295
346 H GLN 43 HN GLN 43 4.533 7.157 6.062
347 HA GLN 43 HA GLN 43 7.114 7.117 7.542
348 1HB GLN 43 HB3 GLN 43 6.059 5.704 5.105
349 2HB GLN 43 HB2 GLN 43 7.798 5.919 5.288
350 1HG GLN 43 HG2 GLN 43 5.997 4.665 7.402
351 2HG GLN 43 HG3 GLN 43 6.939 3.744 6.225
352 1HE2 GLN 43 HE2 GLN 43 8.899 6.537 6.924
353 2HE2 GLN 43 HE2 GLN 43 9.792 5.836 8.188
354 H ARG 44 HN ARG 44 6.147 7.792 4.159
355 HA ARG 44 HA ARG 44 7.249 10.488 4.274
356 1HB ARG 44 HB3 ARG 44 8.689 8.317 2.704
357 2HB ARG 44 HB2 ARG 44 8.974 10.040 2.476
358 1HG ARG 44 HG2 ARG 44 9.523 10.184 4.938
359 2HG ARG 44 HG3 ARG 44 9.434 8.422 4.999
360 1HD ARG 44 HD2 ARG 44 11.546 8.277 4.222
361 2HD ARG 44 HD3 ARG 44 11.069 9.153 2.760
362 HE ARG 44 HE ARG 44 11.430 11.098 4.861
363 1HH1 ARG 44 HH2 ARG 44 13.309 8.589 3.430
364 2HH1 ARG 44 HH2 ARG 44 14.742 9.554 3.290
365 1HH2 ARG 44 HH1 ARG 44 13.233 12.439 4.482
366 2HH2 ARG 44 HH1 ARG 44 14.698 11.734 3.886
367 H ARG 45 HN ARG 45 7.176 11.392 1.856
368 HA ARG 45 HA ARG 45 5.566 10.017 -0.075
369 1HB ARG 45 HB3 ARG 45 3.673 10.252 1.227
370 2HB ARG 45 HB2 ARG 45 4.234 11.720 2.005
371 1HG ARG 45 HG2 ARG 45 3.572 13.080 0.229
372 2HG ARG 45 HG3 ARG 45 3.649 11.766 -0.941
373 1HD ARG 45 HD2 ARG 45 1.589 11.956 1.279
374 2HD ARG 45 HD3 ARG 45 1.307 12.471 -0.386
375 HE ARG 45 HE ARG 45 2.228 9.805 -0.566
376 1HH1 ARG 45 HH2 ARG 45 -0.572 11.119 -1.177
377 2HH1 ARG 45 HH2 ARG 45 -1.595 10.005 -0.332
378 1HH2 ARG 45 HH1 ARG 45 1.008 8.550 1.439
379 2HH2 ARG 45 HH1 ARG 45 -0.699 8.552 1.151
380 H ARG 46 HN ARG 46 5.821 13.435 1.171
381 HA ARG 46 HA ARG 46 7.160 14.155 -1.379
382 1HB ARG 46 HB2 ARG 46 4.737 15.625 -0.278
383 2HB ARG 46 HB3 ARG 46 5.629 16.039 -1.740
384 1HG ARG 46 HG2 ARG 46 4.941 13.348 -2.097
385 2HG ARG 46 HG3 ARG 46 3.517 14.063 -1.350
386 1HD ARG 46 HD2 ARG 46 4.843 14.764 -3.964
387 2HD ARG 46 HD3 ARG 46 3.131 14.465 -3.628
388 HE ARG 46 HE ARG 46 3.917 16.808 -2.129
389 1HH1 ARG 46 HH1 ARG 46 2.781 15.649 -5.146
390 2HH1 ARG 46 HH1 ARG 46 2.727 17.211 -5.893
391 1HH2 ARG 46 HH2 ARG 46 4.176 18.843 -3.199
392 2HH2 ARG 46 HH2 ARG 46 3.516 19.019 -4.790
393 H LEU 47 HN LEU 47 9.038 14.479 -0.015
394 HA LEU 47 HA LEU 47 8.778 16.578 2.073
395 1HB LEU 47 HB2 LEU 47 11.164 14.805 1.409
396 2HB LEU 47 HB3 LEU 47 11.040 15.887 2.794
397 HG LEU 47 HG LEU 47 8.797 13.977 2.527
398 1HD1 LEU 47 HD2 LEU 47 10.927 12.534 3.780
399 2HD1 LEU 47 HD2 LEU 47 9.999 12.075 2.353
400 3HD1 LEU 47 HD2 LEU 47 11.475 13.026 2.180
401 1HD2 LEU 47 HD1 LEU 47 10.435 15.318 4.604
402 2HD2 LEU 47 HD1 LEU 47 8.720 14.900 4.634
403 3HD2 LEU 47 HD1 LEU 47 9.935 13.680 5.016
404 H SER 48 HN SER 48 10.103 16.074 -1.128
405 HA SER 48 HA SER 48 10.427 18.798 -1.706
406 1HB SER 48 HB2 SER 48 12.381 17.991 0.134
407 2HB SER 48 HB3 SER 48 13.213 18.015 -1.421
408 HG SER 48 HG SER 48 13.329 20.072 -0.881
409 HA PRO 49 HA PRO 49 11.124 15.800 -5.129
410 1HB PRO 49 HB3 PRO 49 9.059 16.763 -6.675
411 2HB PRO 49 HB2 PRO 49 8.872 15.470 -5.466
412 1HG PRO 49 HG2 PRO 49 8.041 18.342 -5.320
413 2HG PRO 49 HG3 PRO 49 7.340 16.932 -4.512
414 1HD PRO 49 HD3 PRO 49 9.078 18.840 -3.327
415 2HD PRO 49 HD2 PRO 49 8.664 17.258 -2.635
416 HA PRO 50 HA PRO 50 13.274 19.352 -6.969
417 1HB PRO 50 HB2 PRO 50 15.259 17.826 -8.110
418 2HB PRO 50 HB3 PRO 50 15.286 18.372 -6.426
419 1HG PRO 50 HG2 PRO 50 14.679 15.656 -7.528
420 2HG PRO 50 HG3 PRO 50 15.388 16.096 -5.966
421 1HD PRO 50 HD3 PRO 50 12.697 15.340 -6.400
422 2HD PRO 50 HD2 PRO 50 13.307 16.164 -4.949
423 H SER 51 HN SER 51 12.834 16.217 -8.689
424 HA SER 51 HA SER 51 12.169 17.821 -11.160
425 1HB SER 51 HB2 SER 51 12.644 15.385 -12.175
426 2HB SER 51 HB3 SER 51 13.947 16.538 -11.884
427 HG SER 51 HG SER 51 14.517 15.479 -10.083
428 H SER 52 HN SER 52 11.548 14.384 -10.792
429 HA SER 52 HA SER 52 8.654 14.925 -10.348
430 1HB SER 52 HB2 SER 52 9.912 13.842 -12.808
431 2HB SER 52 HB3 SER 52 8.498 12.965 -12.224
432 HG SER 52 HG SER 52 8.642 15.366 -13.441
433 H SER 53 HN SER 53 10.730 12.126 -11.193
434 HA SER 53 HA SER 53 9.343 10.282 -9.531
435 1HB SER 53 HB2 SER 53 12.234 9.788 -9.802
436 2HB SER 53 HB3 SER 53 10.871 8.787 -10.301
437 HG SER 53 HG SER 53 10.592 10.305 -12.053