Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
473376 | 2jup RC | 15453 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -11.227 -22.876 -9.034
2 H2 GLY 1 2HT GLY 1 -11.200 -21.899 -7.652
3 H3 GLY 1 3HT GLY 1 -11.404 -23.573 -7.496
4 HA2 GLY 1 1HA GLY 1 -9.163 -23.028 -6.909
5 HA3 GLY 1 2HA GLY 1 -9.175 -23.924 -8.422
6 H ALA 2 H ALA 2 -9.493 -20.545 -7.334
7 HA ALA 2 HA ALA 2 -7.346 -19.774 -9.152
8 HB1 ALA 2 1HB ALA 2 -10.067 -18.475 -9.234
9 HB2 ALA 2 2HB ALA 2 -9.414 -19.552 -10.468
10 HB3 ALA 2 3HB ALA 2 -8.650 -17.991 -10.168
11 H THR 3 H THR 3 -6.256 -17.954 -8.493
12 HA THR 3 HA THR 3 -6.948 -16.993 -5.817
13 HB THR 3 HB THR 3 -4.653 -17.925 -6.209
14 HG1 THR 3 1HG THR 3 -5.193 -16.247 -4.604
15 HG21 THR 3 3HG2 THR 3 -4.280 -17.137 -8.471
16 HG22 THR 3 1HG2 THR 3 -3.023 -16.508 -7.404
17 HG23 THR 3 2HG2 THR 3 -4.346 -15.463 -7.922
18 H ALA 4 H ALA 4 -6.361 -14.598 -5.461
19 HA ALA 4 HA ALA 4 -7.280 -13.037 -7.780
20 HB1 ALA 4 1HB ALA 4 -8.539 -11.602 -6.279
21 HB2 ALA 4 2HB ALA 4 -8.004 -12.549 -4.890
22 HB3 ALA 4 3HB ALA 4 -9.057 -13.277 -6.104
23 H VAL 5 H VAL 5 -6.244 -11.173 -8.226
24 HA VAL 5 HA VAL 5 -4.301 -10.222 -6.254
25 HB VAL 5 HB VAL 5 -2.966 -11.004 -8.010
26 HG11 VAL 5 1HG1 VAL 5 -3.350 -10.418 -10.349
27 HG12 VAL 5 2HG1 VAL 5 -4.793 -9.519 -9.869
28 HG13 VAL 5 3HG1 VAL 5 -4.725 -11.261 -9.639
29 HG21 VAL 5 3HG2 VAL 5 -3.332 -8.024 -8.304
30 HG22 VAL 5 1HG2 VAL 5 -1.989 -8.934 -9.001
31 HG23 VAL 5 2HG2 VAL 5 -2.184 -8.859 -7.250
32 H SER 6 H SER 6 -4.830 -8.421 -5.407
33 HA SER 6 HA SER 6 -6.944 -6.819 -6.528
34 HG SER 6 HG SER 6 -7.189 -8.395 -4.670
35 HB2 SER 6 2HB SER 6 -5.518 -6.552 -3.910
36 HB3 SER 6 1HB SER 6 -6.974 -5.684 -4.392
37 H GLU 7 H GLU 7 -6.631 -4.350 -5.927
38 HA GLU 7 HA GLU 7 -4.562 -3.482 -7.689
39 HB2 GLU 7 2HB GLU 7 -6.562 -2.159 -7.680
40 HB3 GLU 7 1HB GLU 7 -6.531 -2.004 -5.930
41 HG2 GLU 7 2HG GLU 7 -5.868 0.081 -6.839
42 HG3 GLU 7 1HG GLU 7 -4.433 -0.673 -6.154
43 H TRP 8 H TRP 8 -2.601 -3.605 -7.076
44 HA TRP 8 HA TRP 8 -1.852 -2.935 -4.300
45 HD1 TRP 8 HD TRP 8 -0.665 -7.131 -6.448
46 HE1 TRP 8 1HE TRP 8 -2.202 -8.835 -5.284
47 HE3 TRP 8 3HE TRP 8 -2.602 -4.095 -2.887
48 HZ2 TRP 8 2HZ TRP 8 -4.044 -8.855 -3.129
49 HZ3 TRP 8 3HZ TRP 8 -4.319 -5.007 -1.389
50 HH2 TRP 8 HH TRP 8 -5.000 -7.299 -1.451
51 HB2 TRP 8 2HB TRP 8 -0.262 -4.603 -6.279
52 HB3 TRP 8 1HB TRP 8 0.103 -4.364 -4.584
53 H THR 9 H THR 9 -1.568 -0.707 -4.708
54 HA THR 9 HA THR 9 0.424 0.001 -6.715
55 HB THR 9 HB THR 9 -1.410 1.476 -6.774
56 HG1 THR 9 1HG THR 9 -0.505 3.493 -6.417
57 HG21 THR 9 3HG2 THR 9 -2.183 2.834 -4.873
58 HG22 THR 9 1HG2 THR 9 -1.029 1.976 -3.847
59 HG23 THR 9 2HG2 THR 9 -2.378 1.106 -4.580
60 H GLU 10 H GLU 10 1.546 1.978 -5.959
61 HA GLU 10 HA GLU 10 3.176 1.122 -3.628
62 HB2 GLU 10 2HB GLU 10 4.063 2.675 -6.035
63 HB3 GLU 10 1HB GLU 10 5.062 2.342 -4.641
64 HG2 GLU 10 2HG GLU 10 4.650 -0.117 -5.146
65 HG3 GLU 10 1HG GLU 10 4.060 0.439 -6.713
66 H TYR 11 H TYR 11 2.507 2.247 -2.032
67 HA TYR 11 HA TYR 11 2.504 5.164 -2.303
68 HD1 TYR 11 2HD TYR 11 1.498 6.944 -1.340
69 HD2 TYR 11 1HD TYR 11 -1.557 4.174 -2.318
70 HE1 TYR 11 2HE TYR 11 0.187 8.783 -2.271
71 HE2 TYR 11 1HE TYR 11 -2.898 5.992 -3.300
72 HH TYR 11 HH TYR 11 -3.084 8.497 -3.026
73 HB2 TYR 11 2HB TYR 11 0.423 3.403 -1.341
74 HB3 TYR 11 1HB TYR 11 0.939 4.501 -0.070
75 H LYS 12 H LYS 12 4.721 4.998 -1.811
76 HA LYS 12 HA LYS 12 5.413 3.796 0.733
77 HB2 LYS 12 2HB LYS 12 7.789 4.382 -0.037
78 HB3 LYS 12 1HB LYS 12 6.923 3.170 -0.968
79 HG2 LYS 12 2HG LYS 12 6.273 5.143 -2.504
80 HG3 LYS 12 1HG LYS 12 7.606 5.986 -1.710
81 HD2 LYS 12 2HD LYS 12 8.446 4.964 -3.715
82 HD3 LYS 12 1HD LYS 12 9.095 4.087 -2.328
83 HE2 LYS 12 2HE LYS 12 7.384 2.368 -2.605
84 HE3 LYS 12 1HE LYS 12 6.713 3.244 -3.978
85 HZ1 LYS 12 3HZ LYS 12 8.843 2.926 -5.133
86 HZ2 LYS 12 1HZ LYS 12 8.115 1.445 -4.726
87 HZ3 LYS 12 2HZ LYS 12 9.421 2.033 -3.812
88 H THR 13 H THR 13 5.722 4.846 2.518
89 HA THR 13 HA THR 13 5.072 7.658 2.568
90 HB THR 13 HB THR 13 4.908 7.325 5.002
91 HG1 THR 13 1HG THR 13 5.930 5.682 5.909
92 HG21 THR 13 3HG2 THR 13 3.625 5.120 3.419
93 HG22 THR 13 1HG2 THR 13 2.993 6.752 3.626
94 HG23 THR 13 2HG2 THR 13 3.116 5.671 5.016
95 H ALA 14 H ALA 14 6.373 8.697 4.687
96 HA ALA 14 HA ALA 14 8.914 9.310 3.548
97 HB1 ALA 14 1HB ALA 14 9.146 10.900 5.342
98 HB2 ALA 14 2HB ALA 14 7.827 10.138 6.229
99 HB3 ALA 14 3HB ALA 14 7.500 10.969 4.709
100 H ASP 15 H ASP 15 8.154 6.626 5.071
101 HA ASP 15 HA ASP 15 10.335 6.444 6.974
102 HB2 ASP 15 2HB ASP 15 8.386 4.359 5.966
103 HB3 ASP 15 1HB ASP 15 9.564 4.099 7.246
104 H GLY 16 H GLY 16 9.947 6.068 3.634
105 HA2 GLY 16 2HA GLY 16 11.451 5.284 2.035
106 HA3 GLY 16 1HA GLY 16 12.503 4.741 3.339
107 H LYS 17 H LYS 17 9.312 3.831 3.729
108 HA LYS 17 HA LYS 17 9.934 1.071 2.974
109 HB2 LYS 17 2HB LYS 17 9.266 1.398 5.312
110 HB3 LYS 17 1HB LYS 17 7.792 2.208 4.798
111 HG2 LYS 17 2HG LYS 17 7.302 -0.048 5.490
112 HG3 LYS 17 1HG LYS 17 7.028 0.121 3.756
113 HD2 LYS 17 2HD LYS 17 9.209 -0.902 3.315
114 HD3 LYS 17 1HD LYS 17 9.479 -1.069 5.052
115 HE2 LYS 17 2HE LYS 17 8.727 -3.169 4.086
116 HE3 LYS 17 1HE LYS 17 7.528 -2.538 5.209
117 HZ1 LYS 17 3HZ LYS 17 6.852 -3.435 2.861
118 HZ2 LYS 17 1HZ LYS 17 7.258 -1.871 2.368
119 HZ3 LYS 17 2HZ LYS 17 6.054 -2.097 3.534
120 H THR 18 H THR 18 8.759 0.041 1.420
121 HA THR 18 HA THR 18 6.940 1.609 -0.175
122 HB THR 18 HB THR 18 7.586 -1.335 -0.440
123 HG1 THR 18 1HG THR 18 9.356 -0.785 -1.533
124 HG21 THR 18 3HG2 THR 18 5.608 -0.609 -1.688
125 HG22 THR 18 1HG2 THR 18 6.937 -1.009 -2.779
126 HG23 THR 18 2HG2 THR 18 6.553 0.678 -2.440
127 H TYR 19 H TYR 19 5.107 1.996 0.920
128 HA TYR 19 HA TYR 19 3.672 -0.208 2.173
129 HD1 TYR 19 1HD TYR 19 0.985 0.264 2.621
130 HD2 TYR 19 2HD TYR 19 2.196 4.326 3.277
131 HE1 TYR 19 1HE TYR 19 -1.344 0.906 3.005
132 HE2 TYR 19 2HE TYR 19 -0.053 4.915 3.646
133 HH TYR 19 HH TYR 19 -2.307 4.199 3.223
134 HB2 TYR 19 2HB TYR 19 3.635 1.565 3.639
135 HB3 TYR 19 1HB TYR 19 3.766 2.760 2.370
136 H TYR 20 H TYR 20 1.747 -0.977 1.337
137 HA TYR 20 HA TYR 20 1.189 -0.069 -1.411
138 HD1 TYR 20 1HD TYR 20 2.759 -3.352 0.688
139 HD2 TYR 20 2HD TYR 20 1.844 -2.370 -3.389
140 HE1 TYR 20 1HE TYR 20 4.821 -4.415 -0.055
141 HE2 TYR 20 2HE TYR 20 3.928 -3.443 -4.105
142 HH TYR 20 HH TYR 20 6.105 -4.030 -3.195
143 HB2 TYR 20 2HB TYR 20 0.395 -2.699 -0.112
144 HB3 TYR 20 1HB TYR 20 0.150 -2.241 -1.779
145 H TYR 21 H TYR 21 -0.808 0.734 -1.901
146 HA TYR 21 HA TYR 21 -2.826 0.513 0.243
147 HD1 TYR 21 1HD TYR 21 -5.161 2.144 -2.285
148 HD2 TYR 21 2HD TYR 21 -3.741 3.503 1.522
149 HE1 TYR 21 1HE TYR 21 -7.435 2.811 -1.663
150 HE2 TYR 21 2HE TYR 21 -6.028 4.144 2.129
151 HH TYR 21 HH TYR 21 -8.142 4.768 0.996
152 HB2 TYR 21 2HB TYR 21 -2.167 2.873 -0.188
153 HB3 TYR 21 1HB TYR 21 -2.696 2.692 -1.858
154 H ASN 22 H ASN 22 -4.270 -0.818 -0.168
155 HA ASN 22 HA ASN 22 -4.524 -1.962 -2.813
156 HB2 ASN 22 2HB ASN 22 -4.225 -3.486 -1.001
157 HB3 ASN 22 1HB ASN 22 -5.485 -2.707 -0.052
158 HD21 ASN 22 1HD2 ASN 22 -5.731 -3.464 -3.469
159 HD22 ASN 22 2HD2 ASN 22 -6.965 -4.662 -3.286
160 H ASN 23 H ASN 23 -6.197 -1.508 -4.136
161 HA ASN 23 HA ASN 23 -8.519 -0.152 -3.001
162 HB2 ASN 23 2HB ASN 23 -7.368 0.568 -5.189
163 HB3 ASN 23 1HB ASN 23 -8.146 -0.826 -5.915
164 HD21 ASN 23 1HD2 ASN 23 -8.523 1.930 -6.563
165 HD22 ASN 23 2HD2 ASN 23 -10.188 2.302 -6.292
166 H ARG 24 H ARG 24 -8.441 -2.630 -1.977
167 HA ARG 24 HA ARG 24 -9.927 -4.531 -3.531
168 HE ARG 24 HE ARG 24 -9.079 -5.812 1.004
169 HB2 ARG 24 2HB ARG 24 -8.477 -5.275 -1.699
170 HB3 ARG 24 1HB ARG 24 -9.495 -4.427 -0.548
171 HG2 ARG 24 2HG ARG 24 -11.311 -5.909 -0.927
172 HG3 ARG 24 1HG ARG 24 -10.502 -6.644 -2.310
173 HD2 ARG 24 2HD ARG 24 -10.398 -8.075 -0.325
174 HD3 ARG 24 1HD ARG 24 -8.795 -7.568 -0.849
175 HH11 ARG 24 1HH1 ARG 24 -10.414 -9.046 1.122
176 HH12 ARG 24 2HH1 ARG 24 -10.318 -9.161 2.852
177 HH21 ARG 24 1HH2 ARG 24 -8.941 -5.977 3.307
178 HH22 ARG 24 2HH2 ARG 24 -9.489 -7.437 4.074
179 H THR 25 H THR 25 -11.059 -3.801 -0.345
180 HA THR 25 HA THR 25 -13.430 -2.432 -1.354
181 HB THR 25 HB THR 25 -13.889 -4.288 0.169
182 HG1 THR 25 1HG THR 25 -14.419 -1.647 1.030
183 HG21 THR 25 3HG2 THR 25 -13.132 -4.160 2.489
184 HG22 THR 25 1HG2 THR 25 -12.220 -2.707 2.086
185 HG23 THR 25 2HG2 THR 25 -11.790 -4.245 1.347
186 H LEU 26 H LEU 26 -10.771 -1.348 -1.359
187 HA LEU 26 HA LEU 26 -9.482 0.393 -0.756
188 HG LEU 26 HG LEU 26 -12.268 1.549 -1.432
189 HB2 LEU 26 2HB LEU 26 -11.835 1.216 0.944
190 HB3 LEU 26 1HB LEU 26 -10.350 2.140 0.823
191 HD11 LEU 26 1HD1 LEU 26 -12.668 3.955 -1.407
192 HD12 LEU 26 2HD1 LEU 26 -11.589 4.126 -0.023
193 HD13 LEU 26 3HD1 LEU 26 -13.092 3.218 0.139
194 HD21 LEU 26 3HD2 LEU 26 -10.837 3.047 -2.756
195 HD22 LEU 26 1HD2 LEU 26 -9.998 1.574 -2.268
196 HD23 LEU 26 2HD2 LEU 26 -9.678 3.094 -1.429
197 H GLU 27 H GLU 27 -7.857 -0.606 0.136
198 HA GLU 27 HA GLU 27 -7.935 -1.306 2.992
199 HB2 GLU 27 2HB GLU 27 -8.364 -3.352 1.586
200 HB3 GLU 27 1HB GLU 27 -6.824 -3.076 0.794
201 HG2 GLU 27 2HG GLU 27 -6.550 -4.772 2.448
202 HG3 GLU 27 1HG GLU 27 -5.700 -3.316 2.984
203 H SER 28 H SER 28 -5.850 -1.337 3.978
204 HA SER 28 HA SER 28 -3.688 -0.308 2.276
205 HG SER 28 HG SER 28 -4.990 1.458 3.041
206 HB2 SER 28 2HB SER 28 -4.160 0.202 5.205
207 HB3 SER 28 1HB SER 28 -2.734 0.709 4.334
208 H THR 29 H THR 29 -1.647 -1.184 2.526
209 HA THR 29 HA THR 29 -1.331 -3.501 4.285
210 HB THR 29 HB THR 29 -0.021 -4.495 2.239
211 HG1 THR 29 1HG THR 29 -0.887 -2.355 1.110
212 HG21 THR 29 3HG2 THR 29 -3.010 -4.461 2.468
213 HG22 THR 29 1HG2 THR 29 -1.892 -5.598 3.226
214 HG23 THR 29 2HG2 THR 29 -2.109 -5.606 1.466
215 H TRP 30 H TRP 30 0.558 -3.456 5.327
216 HA TRP 30 HA TRP 30 2.325 -1.247 4.887
217 HD1 TRP 30 HD TRP 30 0.644 -1.750 8.411
218 HE1 TRP 30 1HE TRP 30 1.038 0.562 9.471
219 HE3 TRP 30 3HE TRP 30 5.074 -0.573 6.139
220 HZ2 TRP 30 2HZ TRP 30 2.954 2.649 9.301
221 HZ3 TRP 30 3HZ TRP 30 6.124 1.586 6.648
222 HH2 TRP 30 HH TRP 30 5.094 3.157 8.207
223 HB2 TRP 30 2HB TRP 30 2.049 -3.344 6.932
224 HB3 TRP 30 1HB TRP 30 3.719 -2.879 6.607
225 H GLU 31 H GLU 31 2.739 -4.763 4.666
226 HA GLU 31 HA GLU 31 4.995 -4.248 2.862
227 HB2 GLU 31 2HB GLU 31 4.552 -6.185 4.967
228 HB3 GLU 31 1HB GLU 31 5.039 -6.924 3.442
229 HG2 GLU 31 2HG GLU 31 6.481 -4.555 4.492
230 HG3 GLU 31 1HG GLU 31 6.851 -6.166 5.126
231 H LYS 32 H LYS 32 5.297 -6.518 1.600
232 HA LYS 32 HA LYS 32 3.602 -6.416 -0.571
233 HB2 LYS 32 2HB LYS 32 5.277 -8.747 0.383
234 HB3 LYS 32 1HB LYS 32 4.635 -8.553 -1.242
235 HG2 LYS 32 2HG LYS 32 5.970 -6.512 -1.511
236 HG3 LYS 32 1HG LYS 32 6.635 -6.749 0.102
237 HD2 LYS 32 2HD LYS 32 6.884 -8.789 -2.095
238 HD3 LYS 32 1HD LYS 32 8.077 -7.523 -1.822
239 HE2 LYS 32 2HE LYS 32 7.228 -9.568 0.222
240 HE3 LYS 32 1HE LYS 32 8.673 -9.690 -0.780
241 HZ1 LYS 32 3HZ LYS 32 9.472 -8.788 1.170
242 HZ2 LYS 32 1HZ LYS 32 8.103 -7.816 1.431
243 HZ3 LYS 32 2HZ LYS 32 9.221 -7.399 0.233
244 HA PRO 33 HA PRO 33 -0.191 -7.953 1.187
245 HB2 PRO 33 2HB PRO 33 -0.625 -8.346 -1.750
246 HB3 PRO 33 1HB PRO 33 -1.704 -7.632 -0.549
247 HG2 PRO 33 2HG PRO 33 -0.357 -6.068 -2.189
248 HG3 PRO 33 1HG PRO 33 -0.506 -5.634 -0.474
249 HD2 PRO 33 2HD PRO 33 1.825 -6.765 -1.950
250 HD3 PRO 33 1HD PRO 33 1.793 -5.593 -0.617
251 H GLN 34 H GLN 34 -1.207 -9.917 1.496
252 HA GLN 34 HA GLN 34 0.291 -12.285 1.094
253 HB2 GLN 34 2HB GLN 34 -2.649 -11.997 1.757
254 HB3 GLN 34 1HB GLN 34 -1.687 -13.455 1.952
255 HG2 GLN 34 2HG GLN 34 -1.165 -10.865 3.386
256 HG3 GLN 34 1HG GLN 34 -2.073 -12.218 4.056
257 HE21 GLN 34 1HE2 GLN 34 1.066 -11.079 3.074
258 HE22 GLN 34 2HE2 GLN 34 1.979 -12.306 3.873
259 H GLU 35 H GLU 35 -1.997 -10.599 -0.821
260 HA GLU 35 HA GLU 35 -2.258 -12.827 -2.700
261 HB2 GLU 35 2HB GLU 35 -3.753 -10.217 -2.446
262 HB3 GLU 35 1HB GLU 35 -3.978 -11.335 -3.783
263 HG2 GLU 35 2HG GLU 35 -4.390 -12.074 -0.900
264 HG3 GLU 35 1HG GLU 35 -5.673 -11.489 -1.957
265 H LEU 36 H LEU 36 -0.004 -10.665 -2.180
266 HA LEU 36 HA LEU 36 0.328 -9.494 -4.785
267 HG LEU 36 HG LEU 36 3.245 -7.715 -3.513
268 HB2 LEU 36 2HB LEU 36 1.329 -8.716 -2.548
269 HB3 LEU 36 1HB LEU 36 2.557 -9.911 -2.854
270 HD11 LEU 36 1HD1 LEU 36 4.095 -9.590 -4.726
271 HD12 LEU 36 2HD1 LEU 36 3.970 -8.164 -5.756
272 HD13 LEU 36 3HD1 LEU 36 2.766 -9.445 -5.870
273 HD21 LEU 36 3HD2 LEU 36 2.228 -6.455 -5.282
274 HD22 LEU 36 1HD2 LEU 36 1.061 -6.731 -3.987
275 HD23 LEU 36 2HD2 LEU 36 0.981 -7.691 -5.473
276 H LYS 37 H LYS 37 0.332 -11.002 -6.328
277 HA LYS 37 HA LYS 37 2.534 -12.890 -6.434
278 HB2 LYS 37 2HB LYS 37 -0.333 -13.823 -6.729
279 HB3 LYS 37 1HB LYS 37 1.104 -14.807 -6.946
280 HG2 LYS 37 2HG LYS 37 1.663 -14.383 -4.556
281 HG3 LYS 37 1HG LYS 37 0.089 -13.605 -4.387
282 HD2 LYS 37 2HD LYS 37 0.540 -16.449 -5.290
283 HD3 LYS 37 1HD LYS 37 0.075 -15.971 -3.657
284 HE2 LYS 37 2HE LYS 37 -1.528 -15.409 -6.149
285 HE3 LYS 37 1HE LYS 37 -1.826 -16.754 -5.049
286 HZ1 LYS 37 3HZ LYS 37 -2.220 -15.118 -3.278
287 HZ2 LYS 37 1HZ LYS 37 -3.304 -14.945 -4.568
288 HZ3 LYS 37 2HZ LYS 37 -2.012 -13.871 -4.399
289 H1 GLY 101 1HT GLY 101 -1.232 19.509 -8.671
290 H2 GLY 101 2HT GLY 101 -2.175 18.206 -8.132
291 H3 GLY 101 3HT GLY 101 -1.033 17.974 -9.363
292 HA2 GLY 101 1HA GLY 101 0.772 18.445 -7.841
293 HA3 GLY 101 2HA GLY 101 -0.402 18.736 -6.562
294 HA PRO 102 HA PRO 102 0.699 14.149 -6.782
295 HB2 PRO 102 2HB PRO 102 2.449 14.407 -4.509
296 HB3 PRO 102 1HB PRO 102 2.853 13.875 -6.138
297 HG2 PRO 102 2HG PRO 102 3.744 16.220 -5.014
298 HG3 PRO 102 1HG PRO 102 3.601 15.936 -6.758
299 HD2 PRO 102 2HD PRO 102 1.769 17.417 -4.918
300 HD3 PRO 102 1HD PRO 102 2.230 17.791 -6.594
301 HA PRO 103 HA PRO 103 -2.121 13.674 -3.364
302 HB2 PRO 103 2HB PRO 103 -2.234 10.979 -3.271
303 HB3 PRO 103 1HB PRO 103 -2.980 11.908 -4.572
304 HG2 PRO 103 2HG PRO 103 -0.399 10.405 -4.554
305 HG3 PRO 103 1HG PRO 103 -1.614 10.534 -5.839
306 HD2 PRO 103 2HD PRO 103 0.725 11.976 -5.764
307 HD3 PRO 103 1HD PRO 103 -0.740 12.492 -6.624
308 H LEU 104 H LEU 104 -2.024 13.368 -1.152
309 HA LEU 104 HA LEU 104 0.508 12.655 0.032
310 HG LEU 104 HG LEU 104 -1.034 15.311 2.178
311 HB2 LEU 104 2HB LEU 104 -2.172 13.251 1.306
312 HB3 LEU 104 1HB LEU 104 -0.687 12.984 2.195
313 HD11 LEU 104 1HD1 LEU 104 0.862 16.192 0.885
314 HD12 LEU 104 2HD1 LEU 104 0.981 14.643 0.049
315 HD13 LEU 104 3HD1 LEU 104 1.263 14.731 1.787
316 HD21 LEU 104 3HD2 LEU 104 -1.459 15.146 -0.801
317 HD22 LEU 104 1HD2 LEU 104 -1.377 16.637 0.140
318 HD23 LEU 104 2HD2 LEU 104 -2.685 15.487 0.419
319 H ILE 105 H ILE 105 0.896 10.777 1.295
320 HA ILE 105 HA ILE 105 -0.739 8.526 0.534
321 HB ILE 105 HB ILE 105 1.492 8.264 2.583
322 HG12 ILE 105 2HG1 ILE 105 2.919 7.725 0.469
323 HG13 ILE 105 1HG1 ILE 105 1.728 8.673 -0.395
324 HG21 ILE 105 1HG2 ILE 105 1.731 6.077 1.641
325 HG22 ILE 105 2HG2 ILE 105 0.476 6.426 0.452
326 HG23 ILE 105 3HG2 ILE 105 0.069 6.352 2.166
327 HD11 ILE 105 3HD1 ILE 105 3.882 9.808 0.350
328 HD12 ILE 105 1HD1 ILE 105 3.145 9.830 1.954
329 HD13 ILE 105 2HD1 ILE 105 2.340 10.631 0.595
330 HA PRO 106 HA PRO 106 -3.064 8.382 4.424
331 HB2 PRO 106 2HB PRO 106 -3.811 5.766 4.230
332 HB3 PRO 106 1HB PRO 106 -4.621 7.010 3.289
333 HG2 PRO 106 2HG PRO 106 -2.474 5.123 2.458
334 HG3 PRO 106 1HG PRO 106 -3.941 5.605 1.587
335 HD2 PRO 106 2HD PRO 106 -1.526 6.653 1.016
336 HD3 PRO 106 1HD PRO 106 -3.019 7.605 0.889
337 HA PRO 107 HA PRO 107 0.233 6.170 6.571
338 HB2 PRO 107 2HB PRO 107 -1.321 6.006 9.012
339 HB3 PRO 107 1HB PRO 107 0.084 7.017 8.682
340 HG2 PRO 107 2HG PRO 107 -2.455 7.998 9.047
341 HG3 PRO 107 1HG PRO 107 -1.192 8.831 8.125
342 HD2 PRO 107 2HD PRO 107 -3.511 7.224 7.142
343 HD3 PRO 107 1HD PRO 107 -2.779 8.690 6.454
344 HA PRO 108 HA PRO 108 -1.628 2.141 6.284
345 HB2 PRO 108 2HB PRO 108 0.764 0.804 7.043
346 HB3 PRO 108 1HB PRO 108 0.142 1.066 5.409
347 HG2 PRO 108 2HG PRO 108 2.436 2.220 6.478
348 HG3 PRO 108 1HG PRO 108 1.563 2.768 5.033
349 HD2 PRO 108 2HD PRO 108 1.551 3.888 7.783
350 HD3 PRO 108 1HD PRO 108 1.377 4.677 6.193
351 HA PRO 109 HA PRO 109 -2.570 0.889 10.448
352 HB2 PRO 109 2HB PRO 109 -3.870 -1.405 9.807
353 HB3 PRO 109 1HB PRO 109 -4.582 0.191 9.558
354 HG2 PRO 109 2HG PRO 109 -3.269 -1.620 7.568
355 HG3 PRO 109 1HG PRO 109 -4.716 -0.617 7.389
356 HD2 PRO 109 2HD PRO 109 -2.250 0.061 6.457
357 HD3 PRO 109 1HD PRO 109 -3.498 1.241 6.900
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -7.252 -10.708 0.816
2 H2 GLY 1 2HT GLY 1 -8.367 -11.979 0.696
3 H3 GLY 1 3HT GLY 1 -7.435 -11.537 -0.652
4 HA2 GLY 1 1HA GLY 1 -5.434 -12.278 0.396
5 HA3 GLY 1 2HA GLY 1 -6.323 -12.620 1.874
6 H ALA 2 H ALA 2 -7.277 -13.285 -1.480
7 HA ALA 2 HA ALA 2 -6.756 -16.041 -1.460
8 HB1 ALA 2 1HB ALA 2 -8.408 -16.105 0.358
9 HB2 ALA 2 2HB ALA 2 -8.974 -16.974 -1.069
10 HB3 ALA 2 3HB ALA 2 -9.605 -15.367 -0.706
11 H THR 3 H THR 3 -6.220 -15.656 -3.582
12 HA THR 3 HA THR 3 -6.629 -16.039 -5.786
13 HB THR 3 HB THR 3 -9.533 -15.966 -4.958
14 HG1 THR 3 1HG THR 3 -8.440 -18.283 -5.968
15 HG21 THR 3 3HG2 THR 3 -9.363 -15.304 -7.304
16 HG22 THR 3 1HG2 THR 3 -10.030 -16.930 -7.162
17 HG23 THR 3 2HG2 THR 3 -8.345 -16.707 -7.637
18 H ALA 4 H ALA 4 -6.524 -14.753 -7.482
19 HA ALA 4 HA ALA 4 -6.776 -13.025 -8.911
20 HB1 ALA 4 1HB ALA 4 -8.642 -11.495 -8.743
21 HB2 ALA 4 2HB ALA 4 -8.974 -12.047 -7.100
22 HB3 ALA 4 3HB ALA 4 -9.177 -13.152 -8.458
23 H VAL 5 H VAL 5 -5.521 -11.334 -9.192
24 HA VAL 5 HA VAL 5 -4.227 -10.141 -6.911
25 HB VAL 5 HB VAL 5 -3.934 -9.393 -9.818
26 HG11 VAL 5 1HG1 VAL 5 -2.098 -8.945 -7.465
27 HG12 VAL 5 2HG1 VAL 5 -3.062 -7.718 -8.292
28 HG13 VAL 5 3HG1 VAL 5 -1.747 -8.526 -9.146
29 HG21 VAL 5 3HG2 VAL 5 -2.371 -11.414 -8.223
30 HG22 VAL 5 1HG2 VAL 5 -1.973 -10.868 -9.851
31 HG23 VAL 5 2HG2 VAL 5 -3.468 -11.758 -9.560
32 H SER 6 H SER 6 -4.801 -8.327 -5.947
33 HA SER 6 HA SER 6 -7.014 -6.761 -6.864
34 HG SER 6 HG SER 6 -6.373 -7.595 -3.408
35 HB2 SER 6 2HB SER 6 -5.224 -6.217 -4.541
36 HB3 SER 6 1HB SER 6 -6.837 -5.558 -4.823
37 H GLU 7 H GLU 7 -6.872 -4.372 -6.843
38 HA GLU 7 HA GLU 7 -4.727 -3.557 -8.533
39 HB2 GLU 7 2HB GLU 7 -6.695 -1.797 -7.056
40 HB3 GLU 7 1HB GLU 7 -5.723 -1.349 -8.451
41 HG2 GLU 7 2HG GLU 7 -7.996 -3.318 -8.384
42 HG3 GLU 7 1HG GLU 7 -8.005 -1.716 -9.120
43 H TRP 8 H TRP 8 -2.850 -3.386 -7.789
44 HA TRP 8 HA TRP 8 -2.396 -2.718 -4.949
45 HD1 TRP 8 HD TRP 8 -0.849 -6.903 -6.750
46 HE1 TRP 8 1HE TRP 8 -2.196 -8.553 -5.307
47 HE3 TRP 8 3HE TRP 8 -2.928 -3.583 -3.585
48 HZ2 TRP 8 2HZ TRP 8 -3.979 -8.411 -3.075
49 HZ3 TRP 8 3HZ TRP 8 -4.504 -4.370 -1.901
50 HH2 TRP 8 HH TRP 8 -5.001 -6.696 -1.583
51 HB2 TRP 8 2HB TRP 8 -0.729 -4.310 -6.944
52 HB3 TRP 8 1HB TRP 8 -0.196 -3.917 -5.320
53 H THR 9 H THR 9 -1.678 -0.661 -4.735
54 HA THR 9 HA THR 9 0.151 0.391 -6.773
55 HB THR 9 HB THR 9 -1.332 2.063 -6.696
56 HG1 THR 9 1HG THR 9 0.469 2.664 -4.652
57 HG21 THR 9 3HG2 THR 9 -2.688 2.767 -4.774
58 HG22 THR 9 1HG2 THR 9 -1.815 1.627 -3.744
59 HG23 THR 9 2HG2 THR 9 -2.855 1.034 -5.047
60 H GLU 10 H GLU 10 1.670 1.899 -6.036
61 HA GLU 10 HA GLU 10 3.009 0.981 -3.573
62 HB2 GLU 10 2HB GLU 10 5.114 1.740 -4.580
63 HB3 GLU 10 1HB GLU 10 4.306 0.516 -5.545
64 HG2 GLU 10 2HG GLU 10 3.491 2.218 -7.070
65 HG3 GLU 10 1HG GLU 10 4.276 3.466 -6.102
66 H TYR 11 H TYR 11 2.637 2.299 -1.993
67 HA TYR 11 HA TYR 11 2.702 5.199 -2.515
68 HD1 TYR 11 2HD TYR 11 1.891 7.089 -1.146
69 HD2 TYR 11 1HD TYR 11 -1.351 4.809 -2.683
70 HE1 TYR 11 2HE TYR 11 0.827 9.155 -1.929
71 HE2 TYR 11 1HE TYR 11 -2.427 6.860 -3.483
72 HH TYR 11 HH TYR 11 -2.371 9.336 -2.878
73 HB2 TYR 11 2HB TYR 11 0.439 3.699 -1.737
74 HB3 TYR 11 1HB TYR 11 0.982 4.543 -0.289
75 H LYS 12 H LYS 12 4.691 5.562 -1.683
76 HA LYS 12 HA LYS 12 5.453 4.196 0.768
77 HB2 LYS 12 2HB LYS 12 7.177 6.021 -0.922
78 HB3 LYS 12 1HB LYS 12 7.702 4.799 0.230
79 HG2 LYS 12 2HG LYS 12 6.930 3.040 -1.200
80 HG3 LYS 12 1HG LYS 12 6.232 4.206 -2.322
81 HD2 LYS 12 2HD LYS 12 8.551 5.128 -2.632
82 HD3 LYS 12 1HD LYS 12 9.140 3.738 -1.720
83 HE2 LYS 12 2HE LYS 12 8.029 2.251 -3.367
84 HE3 LYS 12 1HE LYS 12 7.594 3.674 -4.309
85 HZ1 LYS 12 3HZ LYS 12 9.571 2.678 -5.202
86 HZ2 LYS 12 1HZ LYS 12 10.344 2.736 -3.694
87 HZ3 LYS 12 2HZ LYS 12 9.980 4.176 -4.515
88 H THR 13 H THR 13 5.430 5.124 2.684
89 HA THR 13 HA THR 13 4.358 7.762 2.950
90 HB THR 13 HB THR 13 4.436 7.307 5.372
91 HG1 THR 13 1HG THR 13 5.791 5.852 6.141
92 HG21 THR 13 3HG2 THR 13 2.979 5.335 5.397
93 HG22 THR 13 1HG2 THR 13 3.470 4.964 3.745
94 HG23 THR 13 2HG2 THR 13 2.562 6.435 4.082
95 H ALA 14 H ALA 14 5.470 9.039 4.937
96 HA ALA 14 HA ALA 14 7.772 10.231 3.858
97 HB1 ALA 14 1HB ALA 14 6.192 11.395 5.329
98 HB2 ALA 14 2HB ALA 14 7.857 11.541 5.893
99 HB3 ALA 14 3HB ALA 14 6.751 10.419 6.688
100 H ASP 15 H ASP 15 7.430 7.423 5.721
101 HA ASP 15 HA ASP 15 9.917 7.337 7.061
102 HB2 ASP 15 2HB ASP 15 8.263 5.052 5.965
103 HB3 ASP 15 1HB ASP 15 9.555 4.908 7.147
104 H GLY 16 H GLY 16 8.995 6.880 3.754
105 HA2 GLY 16 2HA GLY 16 10.276 6.317 1.897
106 HA3 GLY 16 1HA GLY 16 11.666 6.104 2.954
107 H LYS 17 H LYS 17 8.735 4.553 3.816
108 HA LYS 17 HA LYS 17 9.884 1.934 3.196
109 HB2 LYS 17 2HB LYS 17 7.495 2.717 4.887
110 HB3 LYS 17 1HB LYS 17 8.034 1.067 4.626
111 HG2 LYS 17 2HG LYS 17 10.133 1.553 5.754
112 HG3 LYS 17 1HG LYS 17 9.630 3.227 5.992
113 HD2 LYS 17 2HD LYS 17 7.781 2.518 7.383
114 HD3 LYS 17 1HD LYS 17 8.151 0.824 7.063
115 HE2 LYS 17 2HE LYS 17 8.984 1.367 9.236
116 HE3 LYS 17 1HE LYS 17 10.363 1.170 8.160
117 HZ1 LYS 17 3HZ LYS 17 10.653 3.512 8.046
118 HZ2 LYS 17 1HZ LYS 17 10.503 3.100 9.686
119 HZ3 LYS 17 2HZ LYS 17 9.195 3.807 8.867
120 H THR 18 H THR 18 8.716 0.382 1.995
121 HA THR 18 HA THR 18 7.017 1.589 -0.020
122 HB THR 18 HB THR 18 7.891 -1.297 0.175
123 HG1 THR 18 1HG THR 18 9.704 0.132 0.141
124 HG21 THR 18 3HG2 THR 18 7.009 0.387 -2.174
125 HG22 THR 18 1HG2 THR 18 6.048 -0.868 -1.389
126 HG23 THR 18 2HG2 THR 18 7.529 -1.296 -2.247
127 H TYR 19 H TYR 19 5.085 2.001 0.925
128 HA TYR 19 HA TYR 19 3.644 -0.169 2.230
129 HD1 TYR 19 2HD TYR 19 0.895 0.274 2.432
130 HD2 TYR 19 1HD TYR 19 2.044 4.340 3.073
131 HE1 TYR 19 2HE TYR 19 -1.452 0.921 2.591
132 HE2 TYR 19 1HE TYR 19 -0.245 4.940 3.222
133 HH TYR 19 HH TYR 19 -2.445 4.204 2.578
134 HB2 TYR 19 2HB TYR 19 3.454 1.618 3.627
135 HB3 TYR 19 1HB TYR 19 3.675 2.786 2.344
136 H TYR 20 H TYR 20 1.749 -1.003 1.439
137 HA TYR 20 HA TYR 20 1.261 -0.545 -1.376
138 HD1 TYR 20 1HD TYR 20 1.475 -2.662 -3.085
139 HD2 TYR 20 2HD TYR 20 3.096 -3.658 0.731
140 HE1 TYR 20 1HE TYR 20 3.387 -3.746 -4.183
141 HE2 TYR 20 2HE TYR 20 5.015 -4.742 -0.358
142 HH TYR 20 HH TYR 20 5.572 -5.752 -2.558
143 HB2 TYR 20 2HB TYR 20 0.977 -2.769 0.609
144 HB3 TYR 20 1HB TYR 20 0.079 -2.801 -0.864
145 H TYR 21 H TYR 21 -0.733 0.234 -2.017
146 HA TYR 21 HA TYR 21 -2.829 0.313 0.049
147 HD1 TYR 21 1HD TYR 21 -5.102 1.666 -2.603
148 HD2 TYR 21 2HD TYR 21 -3.531 3.510 0.915
149 HE1 TYR 21 1HE TYR 21 -7.346 2.484 -2.023
150 HE2 TYR 21 2HE TYR 21 -5.772 4.318 1.486
151 HH TYR 21 HH TYR 21 -8.570 3.154 0.067
152 HB2 TYR 21 2HB TYR 21 -2.029 2.579 -0.733
153 HB3 TYR 21 1HB TYR 21 -2.632 2.172 -2.337
154 H ASN 22 H ASN 22 -4.541 -0.813 -0.284
155 HA ASN 22 HA ASN 22 -4.674 -2.485 -2.672
156 HB2 ASN 22 2HB ASN 22 -4.692 -3.606 -0.524
157 HB3 ASN 22 1HB ASN 22 -5.998 -2.583 0.060
158 HD21 ASN 22 1HD2 ASN 22 -7.163 -4.496 0.558
159 HD22 ASN 22 2HD2 ASN 22 -7.970 -5.384 -0.684
160 H ASN 23 H ASN 23 -6.093 -2.054 -4.249
161 HA ASN 23 HA ASN 23 -8.430 -0.379 -3.642
162 HB2 ASN 23 2HB ASN 23 -7.131 -1.136 -6.259
163 HB3 ASN 23 1HB ASN 23 -8.684 -0.324 -6.175
164 HD21 ASN 23 1HD2 ASN 23 -5.953 0.292 -4.044
165 HD22 ASN 23 2HD2 ASN 23 -5.655 1.897 -4.601
166 H ARG 24 H ARG 24 -7.980 -3.415 -3.173
167 HA ARG 24 HA ARG 24 -9.790 -4.857 -4.731
168 HE ARG 24 HE ARG 24 -11.151 -9.243 -3.825
169 HB2 ARG 24 2HB ARG 24 -8.224 -5.852 -3.065
170 HB3 ARG 24 1HB ARG 24 -9.271 -5.268 -1.785
171 HG2 ARG 24 2HG ARG 24 -9.798 -7.541 -2.050
172 HG3 ARG 24 1HG ARG 24 -11.112 -6.658 -2.833
173 HD2 ARG 24 2HD ARG 24 -10.339 -7.184 -4.979
174 HD3 ARG 24 1HD ARG 24 -8.737 -7.626 -4.388
175 HH11 ARG 24 1HH1 ARG 24 -7.780 -8.968 -4.756
176 HH12 ARG 24 2HH1 ARG 24 -7.543 -10.685 -4.895
177 HH21 ARG 24 1HH2 ARG 24 -10.831 -11.498 -3.983
178 HH22 ARG 24 2HH2 ARG 24 -9.283 -12.125 -4.472
179 H THR 25 H THR 25 -10.653 -4.480 -1.379
180 HA THR 25 HA THR 25 -13.180 -3.168 -2.074
181 HB THR 25 HB THR 25 -13.701 -3.694 0.382
182 HG1 THR 25 1HG THR 25 -12.140 -4.589 1.482
183 HG21 THR 25 3HG2 THR 25 -14.288 -6.023 -0.116
184 HG22 THR 25 1HG2 THR 25 -13.211 -5.996 -1.514
185 HG23 THR 25 2HG2 THR 25 -14.647 -4.973 -1.487
186 H LEU 26 H LEU 26 -10.406 -2.018 -1.887
187 HA LEU 26 HA LEU 26 -9.288 -0.211 -1.152
188 HG LEU 26 HG LEU 26 -11.971 0.752 -2.334
189 HB2 LEU 26 2HB LEU 26 -11.935 0.525 0.086
190 HB3 LEU 26 1HB LEU 26 -10.505 1.535 0.190
191 HD11 LEU 26 1HD1 LEU 26 -13.095 2.470 -1.027
192 HD12 LEU 26 2HD1 LEU 26 -12.412 3.146 -2.505
193 HD13 LEU 26 3HD1 LEU 26 -11.602 3.409 -0.962
194 HD21 LEU 26 3HD2 LEU 26 -9.568 0.850 -2.758
195 HD22 LEU 26 1HD2 LEU 26 -9.492 2.444 -2.003
196 HD23 LEU 26 2HD2 LEU 26 -10.396 2.219 -3.500
197 H GLU 27 H GLU 27 -7.770 -1.065 0.027
198 HA GLU 27 HA GLU 27 -8.092 -1.150 2.938
199 HB2 GLU 27 2HB GLU 27 -8.482 -3.487 2.141
200 HB3 GLU 27 1HB GLU 27 -6.959 -3.427 1.286
201 HG2 GLU 27 2HG GLU 27 -6.829 -4.691 3.373
202 HG3 GLU 27 1HG GLU 27 -5.723 -3.314 3.328
203 H SER 28 H SER 28 -5.963 -0.982 4.021
204 HA SER 28 HA SER 28 -3.822 -0.124 2.297
205 HG SER 28 HG SER 28 -3.596 2.367 3.582
206 HB2 SER 28 2HB SER 28 -4.944 0.408 5.002
207 HB3 SER 28 1HB SER 28 -3.261 0.609 4.749
208 H THR 29 H THR 29 -1.856 -1.324 2.456
209 HA THR 29 HA THR 29 -1.575 -3.152 4.702
210 HB THR 29 HB THR 29 -2.650 -4.567 3.063
211 HG1 THR 29 1HG THR 29 -1.346 -6.011 3.818
212 HG21 THR 29 3HG2 THR 29 -1.966 -3.261 1.054
213 HG22 THR 29 1HG2 THR 29 -1.773 -5.009 0.878
214 HG23 THR 29 2HG2 THR 29 -0.366 -3.988 1.192
215 H TRP 30 H TRP 30 0.653 -3.955 4.946
216 HA TRP 30 HA TRP 30 2.391 -1.720 4.268
217 HD1 TRP 30 HD TRP 30 0.730 -2.177 7.838
218 HE1 TRP 30 1HE TRP 30 0.965 0.192 8.826
219 HE3 TRP 30 3HE TRP 30 5.066 -0.748 5.524
220 HZ2 TRP 30 2HZ TRP 30 2.730 2.411 8.596
221 HZ3 TRP 30 3HZ TRP 30 5.964 1.498 5.970
222 HH2 TRP 30 HH TRP 30 4.829 3.033 7.483
223 HB2 TRP 30 2HB TRP 30 2.364 -3.737 6.459
224 HB3 TRP 30 1HB TRP 30 3.922 -3.062 5.986
225 H GLU 31 H GLU 31 2.996 -5.243 4.560
226 HA GLU 31 HA GLU 31 5.016 -4.930 2.478
227 HB2 GLU 31 2HB GLU 31 4.402 -7.131 4.424
228 HB3 GLU 31 1HB GLU 31 5.455 -7.389 3.037
229 HG2 GLU 31 2HG GLU 31 5.887 -5.265 5.110
230 HG3 GLU 31 1HG GLU 31 6.643 -6.862 5.155
231 H LYS 32 H LYS 32 5.139 -7.187 1.177
232 HA LYS 32 HA LYS 32 3.231 -6.865 -0.807
233 HB2 LYS 32 2HB LYS 32 4.159 -8.898 -1.815
234 HB3 LYS 32 1HB LYS 32 5.422 -7.813 -1.252
235 HG2 LYS 32 2HG LYS 32 5.657 -9.215 0.774
236 HG3 LYS 32 1HG LYS 32 4.480 -10.338 0.093
237 HD2 LYS 32 2HD LYS 32 7.161 -9.604 -1.070
238 HD3 LYS 32 1HD LYS 32 6.715 -11.145 -0.338
239 HE2 LYS 32 2HE LYS 32 5.463 -9.973 -2.818
240 HE3 LYS 32 1HE LYS 32 6.723 -11.203 -2.808
241 HZ1 LYS 32 3HZ LYS 32 4.000 -11.500 -1.661
242 HZ2 LYS 32 1HZ LYS 32 5.210 -12.686 -1.633
243 HZ3 LYS 32 2HZ LYS 32 4.549 -12.182 -3.111
244 HA PRO 33 HA PRO 33 -0.476 -8.931 0.746
245 HB2 PRO 33 2HB PRO 33 -0.630 -8.770 -2.258
246 HB3 PRO 33 1HB PRO 33 -1.928 -8.531 -1.069
247 HG2 PRO 33 2HG PRO 33 -0.794 -6.431 -2.138
248 HG3 PRO 33 1HG PRO 33 -1.045 -6.458 -0.380
249 HD2 PRO 33 2HD PRO 33 1.464 -6.851 -1.943
250 HD3 PRO 33 1HD PRO 33 1.228 -6.064 -0.371
251 H GLN 34 H GLN 34 -1.369 -11.070 0.462
252 HA GLN 34 HA GLN 34 0.411 -13.036 -0.677
253 HB2 GLN 34 2HB GLN 34 -2.307 -13.263 0.611
254 HB3 GLN 34 1HB GLN 34 -1.446 -14.648 -0.046
255 HG2 GLN 34 2HG GLN 34 0.438 -14.118 1.498
256 HG3 GLN 34 1HG GLN 34 -0.575 -12.868 2.220
257 HE21 GLN 34 1HE2 GLN 34 -3.009 -14.463 1.894
258 HE22 GLN 34 2HE2 GLN 34 -2.948 -15.668 3.129
259 H GLU 35 H GLU 35 -2.087 -11.061 -1.748
260 HA GLU 35 HA GLU 35 -2.742 -12.607 -4.100
261 HB2 GLU 35 2HB GLU 35 -3.210 -9.654 -3.947
262 HB3 GLU 35 1HB GLU 35 -4.236 -10.909 -4.626
263 HG2 GLU 35 2HG GLU 35 -3.798 -10.571 -1.674
264 HG3 GLU 35 1HG GLU 35 -5.088 -9.761 -2.554
265 H LEU 36 H LEU 36 -0.102 -11.106 -3.021
266 HA LEU 36 HA LEU 36 0.839 -10.099 -5.625
267 HG LEU 36 HG LEU 36 3.147 -7.780 -4.101
268 HB2 LEU 36 2HB LEU 36 0.909 -8.886 -3.169
269 HB3 LEU 36 1HB LEU 36 2.461 -9.686 -3.194
270 HD11 LEU 36 1HD1 LEU 36 1.773 -8.895 -6.530
271 HD12 LEU 36 2HD1 LEU 36 3.398 -9.292 -5.974
272 HD13 LEU 36 3HD1 LEU 36 3.036 -7.664 -6.545
273 HD21 LEU 36 3HD2 LEU 36 0.374 -7.231 -5.128
274 HD22 LEU 36 1HD2 LEU 36 1.731 -6.099 -5.142
275 HD23 LEU 36 2HD2 LEU 36 1.048 -6.639 -3.607
276 H LYS 37 H LYS 37 1.987 -11.686 -6.680
277 HA LYS 37 HA LYS 37 3.019 -13.927 -5.195
278 HB2 LYS 37 2HB LYS 37 2.070 -13.680 -7.731
279 HB3 LYS 37 1HB LYS 37 3.804 -13.645 -8.028
280 HG2 LYS 37 2HG LYS 37 2.242 -15.813 -6.641
281 HG3 LYS 37 1HG LYS 37 3.013 -15.902 -8.223
282 HD2 LYS 37 2HD LYS 37 4.680 -15.269 -5.829
283 HD3 LYS 37 1HD LYS 37 4.159 -16.932 -6.084
284 HE2 LYS 37 2HE LYS 37 6.363 -16.576 -7.034
285 HE3 LYS 37 1HE LYS 37 5.189 -16.909 -8.302
286 HZ1 LYS 37 3HZ LYS 37 5.255 -14.742 -9.056
287 HZ2 LYS 37 1HZ LYS 37 6.872 -15.023 -8.632
288 HZ3 LYS 37 2HZ LYS 37 5.868 -14.122 -7.598
289 H1 GLY 101 1HT GLY 101 1.112 19.410 -5.971
290 H2 GLY 101 2HT GLY 101 2.113 20.718 -5.575
291 H3 GLY 101 3HT GLY 101 1.855 19.478 -4.451
292 HA2 GLY 101 1HA GLY 101 3.277 19.218 -7.041
293 HA3 GLY 101 2HA GLY 101 4.030 19.248 -5.451
294 HA PRO 102 HA PRO 102 3.503 14.810 -5.692
295 HB2 PRO 102 2HB PRO 102 4.687 14.731 -3.027
296 HB3 PRO 102 1HB PRO 102 5.355 14.143 -4.550
297 HG2 PRO 102 2HG PRO 102 6.394 16.273 -3.258
298 HG3 PRO 102 1HG PRO 102 6.389 16.149 -5.029
299 HD2 PRO 102 2HD PRO 102 4.503 17.658 -3.234
300 HD3 PRO 102 1HD PRO 102 5.298 18.198 -4.731
301 HA PRO 103 HA PRO 103 -0.126 14.409 -3.177
302 HB2 PRO 103 2HB PRO 103 -0.606 11.783 -3.465
303 HB3 PRO 103 1HB PRO 103 -0.800 12.919 -4.803
304 HG2 PRO 103 2HG PRO 103 1.454 11.041 -4.235
305 HG3 PRO 103 1HG PRO 103 0.684 11.437 -5.782
306 HD2 PRO 103 2HD PRO 103 3.057 12.525 -4.916
307 HD3 PRO 103 1HD PRO 103 1.964 13.308 -6.075
308 H LEU 104 H LEU 104 -0.706 13.880 -1.096
309 HA LEU 104 HA LEU 104 1.326 12.788 0.626
310 HG LEU 104 HG LEU 104 1.183 14.761 2.139
311 HB2 LEU 104 2HB LEU 104 -1.479 13.789 1.090
312 HB3 LEU 104 1HB LEU 104 -0.570 12.993 2.360
313 HD11 LEU 104 1HD1 LEU 104 -0.856 16.086 0.354
314 HD12 LEU 104 2HD1 LEU 104 0.723 15.481 -0.146
315 HD13 LEU 104 3HD1 LEU 104 0.614 16.835 0.979
316 HD21 LEU 104 3HD2 LEU 104 -1.609 15.706 2.770
317 HD22 LEU 104 1HD2 LEU 104 -0.114 16.477 3.297
318 HD23 LEU 104 2HD2 LEU 104 -0.523 14.860 3.872
319 H ILE 105 H ILE 105 1.235 10.859 1.737
320 HA ILE 105 HA ILE 105 -0.254 8.760 0.423
321 HB ILE 105 HB ILE 105 1.557 8.340 2.833
322 HG12 ILE 105 2HG1 ILE 105 3.233 7.711 0.937
323 HG13 ILE 105 1HG1 ILE 105 2.236 8.746 -0.071
324 HG21 ILE 105 1HG2 ILE 105 1.835 6.134 1.916
325 HG22 ILE 105 2HG2 ILE 105 0.804 6.547 0.546
326 HG23 ILE 105 3HG2 ILE 105 0.126 6.485 2.172
327 HD11 ILE 105 3HD1 ILE 105 2.705 10.639 1.328
328 HD12 ILE 105 1HD1 ILE 105 4.213 9.889 0.808
329 HD13 ILE 105 2HD1 ILE 105 3.619 9.628 2.449
330 HA PRO 106 HA PRO 106 -3.316 8.378 3.760
331 HB2 PRO 106 2HB PRO 106 -3.520 5.564 2.931
332 HB3 PRO 106 1HB PRO 106 -4.767 6.795 2.878
333 HG2 PRO 106 2HG PRO 106 -3.654 5.779 0.653
334 HG3 PRO 106 1HG PRO 106 -4.228 7.451 0.748
335 HD2 PRO 106 2HD PRO 106 -1.438 6.396 0.894
336 HD3 PRO 106 1HD PRO 106 -2.052 7.873 0.121
337 HA PRO 107 HA PRO 107 -0.365 6.144 6.304
338 HB2 PRO 107 2HB PRO 107 -2.233 5.854 8.494
339 HB3 PRO 107 1HB PRO 107 -0.852 6.944 8.377
340 HG2 PRO 107 2HG PRO 107 -3.476 7.768 8.401
341 HG3 PRO 107 1HG PRO 107 -2.139 8.700 7.703
342 HD2 PRO 107 2HD PRO 107 -4.199 7.013 6.341
343 HD3 PRO 107 1HD PRO 107 -3.452 8.536 5.805
344 HA PRO 108 HA PRO 108 -1.990 1.962 6.004
345 HB2 PRO 108 2HB PRO 108 0.480 0.858 6.866
346 HB3 PRO 108 1HB PRO 108 -0.110 0.995 5.198
347 HG2 PRO 108 2HG PRO 108 2.063 2.366 6.268
348 HG3 PRO 108 1HG PRO 108 1.191 2.783 4.779
349 HD2 PRO 108 2HD PRO 108 0.995 3.992 7.485
350 HD3 PRO 108 1HD PRO 108 0.861 4.715 5.861
351 HA PRO 109 HA PRO 109 -2.941 1.159 10.268
352 HB2 PRO 109 2HB PRO 109 -3.952 -1.346 9.998
353 HB3 PRO 109 1HB PRO 109 -4.826 0.096 9.472
354 HG2 PRO 109 2HG PRO 109 -3.269 -1.874 7.848
355 HG3 PRO 109 1HG PRO 109 -4.787 -1.045 7.464
356 HD2 PRO 109 2HD PRO 109 -2.333 -0.310 6.507
357 HD3 PRO 109 1HD PRO 109 -3.708 0.795 6.683
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -5.804 -23.688 -8.336
2 H2 GLY 1 2HT GLY 1 -5.527 -24.604 -6.936
3 H3 GLY 1 3HT GLY 1 -4.562 -24.837 -8.319
4 HA2 GLY 1 1HA GLY 1 -3.477 -23.529 -6.521
5 HA3 GLY 1 2HA GLY 1 -3.540 -22.735 -8.089
6 H ALA 2 H ALA 2 -5.252 -21.195 -8.458
7 HA ALA 2 HA ALA 2 -6.676 -19.508 -7.986
8 HB1 ALA 2 1HB ALA 2 -8.094 -19.578 -6.031
9 HB2 ALA 2 2HB ALA 2 -7.062 -20.808 -5.299
10 HB3 ALA 2 3HB ALA 2 -7.980 -21.180 -6.757
11 H THR 3 H THR 3 -4.823 -18.152 -8.104
12 HA THR 3 HA THR 3 -4.496 -16.720 -5.568
13 HB THR 3 HB THR 3 -2.384 -17.955 -6.133
14 HG1 THR 3 1HG THR 3 -2.660 -15.600 -5.193
15 HG21 THR 3 3HG2 THR 3 -2.305 -16.083 -8.502
16 HG22 THR 3 1HG2 THR 3 -2.466 -17.840 -8.564
17 HG23 THR 3 2HG2 THR 3 -0.978 -17.110 -7.964
18 H ALA 4 H ALA 4 -4.909 -14.580 -5.702
19 HA ALA 4 HA ALA 4 -5.465 -13.500 -8.388
20 HB1 ALA 4 1HB ALA 4 -7.361 -13.356 -6.052
21 HB2 ALA 4 2HB ALA 4 -7.550 -14.385 -7.470
22 HB3 ALA 4 3HB ALA 4 -7.608 -12.632 -7.640
23 H VAL 5 H VAL 5 -4.543 -11.610 -8.682
24 HA VAL 5 HA VAL 5 -3.549 -10.117 -6.426
25 HB VAL 5 HB VAL 5 -1.989 -10.318 -8.175
26 HG11 VAL 5 1HG1 VAL 5 -3.443 -10.879 -9.959
27 HG12 VAL 5 2HG1 VAL 5 -2.481 -9.481 -10.457
28 HG13 VAL 5 3HG1 VAL 5 -4.157 -9.271 -9.949
29 HG21 VAL 5 3HG2 VAL 5 -1.769 -8.158 -7.194
30 HG22 VAL 5 1HG2 VAL 5 -3.166 -7.547 -8.093
31 HG23 VAL 5 2HG2 VAL 5 -1.671 -7.929 -8.944
32 H SER 6 H SER 6 -4.530 -8.489 -5.518
33 HA SER 6 HA SER 6 -6.934 -7.357 -6.612
34 HG SER 6 HG SER 6 -6.903 -8.818 -4.721
35 HB2 SER 6 2HB SER 6 -5.482 -6.618 -4.114
36 HB3 SER 6 1HB SER 6 -7.130 -6.164 -4.550
37 H GLU 7 H GLU 7 -7.044 -4.824 -6.190
38 HA GLU 7 HA GLU 7 -5.186 -3.755 -8.076
39 HB2 GLU 7 2HB GLU 7 -6.692 -1.789 -6.510
40 HB3 GLU 7 1HB GLU 7 -6.621 -2.011 -8.249
41 HG2 GLU 7 2HG GLU 7 -8.352 -3.576 -6.345
42 HG3 GLU 7 1HG GLU 7 -8.887 -2.243 -7.359
43 H TRP 8 H TRP 8 -3.172 -3.542 -7.431
44 HA TRP 8 HA TRP 8 -2.621 -2.687 -4.644
45 HD1 TRP 8 HD TRP 8 -0.895 -6.960 -6.156
46 HE1 TRP 8 1HE TRP 8 -2.299 -8.578 -4.732
47 HE3 TRP 8 3HE TRP 8 -3.240 -3.562 -3.301
48 HZ2 TRP 8 2HZ TRP 8 -4.247 -8.386 -2.661
49 HZ3 TRP 8 3HZ TRP 8 -4.948 -4.310 -1.743
50 HH2 TRP 8 HH TRP 8 -5.462 -6.616 -1.362
51 HB2 TRP 8 2HB TRP 8 -0.893 -4.378 -6.515
52 HB3 TRP 8 1HB TRP 8 -0.442 -3.889 -4.893
53 H THR 9 H THR 9 -1.841 -0.634 -4.606
54 HA THR 9 HA THR 9 -0.086 0.182 -6.812
55 HB THR 9 HB THR 9 -1.489 1.925 -6.769
56 HG1 THR 9 1HG THR 9 -0.083 2.998 -4.620
57 HG21 THR 9 3HG2 THR 9 -2.653 2.841 -4.792
58 HG22 THR 9 1HG2 THR 9 -1.824 1.644 -3.788
59 HG23 THR 9 2HG2 THR 9 -2.983 1.124 -5.016
60 H GLU 10 H GLU 10 1.525 1.756 -6.141
61 HA GLU 10 HA GLU 10 2.915 0.693 -3.756
62 HB2 GLU 10 2HB GLU 10 5.034 0.941 -4.759
63 HB3 GLU 10 1HB GLU 10 4.028 0.144 -5.960
64 HG2 GLU 10 2HG GLU 10 4.070 1.916 -7.380
65 HG3 GLU 10 1HG GLU 10 4.233 3.099 -6.080
66 H TYR 11 H TYR 11 3.459 2.065 -2.244
67 HA TYR 11 HA TYR 11 3.639 4.924 -2.792
68 HD1 TYR 11 1HD TYR 11 2.346 7.129 -1.884
69 HD2 TYR 11 2HD TYR 11 -0.239 3.882 -2.768
70 HE1 TYR 11 1HE TYR 11 0.874 8.672 -3.089
71 HE2 TYR 11 2HE TYR 11 -1.720 5.394 -4.022
72 HH TYR 11 HH TYR 11 -2.260 7.809 -4.080
73 HB2 TYR 11 2HB TYR 11 1.496 3.576 -1.274
74 HB3 TYR 11 1HB TYR 11 2.220 4.966 -0.472
75 H LYS 12 H LYS 12 4.828 6.050 -1.136
76 HA LYS 12 HA LYS 12 5.756 4.342 1.052
77 HB2 LYS 12 2HB LYS 12 7.501 6.482 -0.206
78 HB3 LYS 12 1HB LYS 12 7.970 5.301 1.001
79 HG2 LYS 12 2HG LYS 12 8.935 4.397 -0.854
80 HG3 LYS 12 1HG LYS 12 7.366 3.590 -0.899
81 HD2 LYS 12 2HD LYS 12 6.589 4.935 -2.642
82 HD3 LYS 12 1HD LYS 12 7.797 6.185 -2.341
83 HE2 LYS 12 2HE LYS 12 8.375 5.000 -4.356
84 HE3 LYS 12 1HE LYS 12 9.551 4.627 -3.097
85 HZ1 LYS 12 3HZ LYS 12 7.395 2.898 -4.158
86 HZ2 LYS 12 1HZ LYS 12 8.178 2.565 -2.686
87 HZ3 LYS 12 2HZ LYS 12 9.063 2.603 -4.123
88 H THR 13 H THR 13 5.698 5.225 3.025
89 HA THR 13 HA THR 13 4.533 7.911 3.177
90 HB THR 13 HB THR 13 4.020 7.237 5.564
91 HG1 THR 13 1HG THR 13 4.676 5.335 6.245
92 HG21 THR 13 3HG2 THR 13 2.100 5.856 4.918
93 HG22 THR 13 1HG2 THR 13 2.848 5.540 3.350
94 HG23 THR 13 2HG2 THR 13 2.343 7.174 3.771
95 H ALA 14 H ALA 14 5.161 8.785 5.624
96 HA ALA 14 HA ALA 14 7.841 9.691 5.259
97 HB1 ALA 14 1HB ALA 14 6.031 11.057 6.270
98 HB2 ALA 14 2HB ALA 14 7.498 10.998 7.246
99 HB3 ALA 14 3HB ALA 14 6.101 10.024 7.696
100 H ASP 15 H ASP 15 6.708 6.846 6.459
101 HA ASP 15 HA ASP 15 8.557 6.453 8.632
102 HB2 ASP 15 2HB ASP 15 6.969 4.393 7.088
103 HB3 ASP 15 1HB ASP 15 7.707 4.182 8.672
104 H GLY 16 H GLY 16 8.776 6.393 5.267
105 HA2 GLY 16 2HA GLY 16 10.547 5.888 3.886
106 HA3 GLY 16 1HA GLY 16 11.476 5.457 5.318
107 H LYS 17 H LYS 17 8.427 4.121 4.103
108 HA LYS 17 HA LYS 17 9.786 1.581 3.615
109 HB2 LYS 17 2HB LYS 17 8.886 1.567 5.940
110 HB3 LYS 17 1HB LYS 17 7.279 1.840 5.283
111 HG2 LYS 17 2HG LYS 17 7.294 -0.289 4.186
112 HG3 LYS 17 1HG LYS 17 8.983 -0.550 4.619
113 HD2 LYS 17 2HD LYS 17 6.789 -0.214 6.662
114 HD3 LYS 17 1HD LYS 17 7.276 -1.780 6.017
115 HE2 LYS 17 2HE LYS 17 8.419 -1.520 8.070
116 HE3 LYS 17 1HE LYS 17 9.614 -1.248 6.807
117 HZ1 LYS 17 3HZ LYS 17 9.224 1.170 7.133
118 HZ2 LYS 17 1HZ LYS 17 9.911 0.397 8.473
119 HZ3 LYS 17 2HZ LYS 17 8.263 0.804 8.476
120 H THR 18 H THR 18 8.683 0.177 2.206
121 HA THR 18 HA THR 18 7.075 1.561 0.244
122 HB THR 18 HB THR 18 7.883 -1.354 0.220
123 HG1 THR 18 1HG THR 18 9.812 -0.768 -0.613
124 HG21 THR 18 3HG2 THR 18 7.327 0.588 -2.026
125 HG22 THR 18 1HG2 THR 18 6.180 -0.608 -1.420
126 HG23 THR 18 2HG2 THR 18 7.679 -1.133 -2.188
127 H TYR 19 H TYR 19 4.982 1.721 0.591
128 HA TYR 19 HA TYR 19 3.549 -0.496 1.880
129 HD1 TYR 19 2HD TYR 19 0.765 0.003 2.429
130 HD2 TYR 19 1HD TYR 19 2.107 4.048 2.868
131 HE1 TYR 19 2HE TYR 19 -1.556 0.775 2.535
132 HE2 TYR 19 1HE TYR 19 -0.139 4.754 2.962
133 HH TYR 19 HH TYR 19 -2.818 2.716 3.394
134 HB2 TYR 19 2HB TYR 19 3.306 1.054 3.521
135 HB3 TYR 19 1HB TYR 19 3.695 2.385 2.456
136 H TYR 20 H TYR 20 1.675 -1.197 0.943
137 HA TYR 20 HA TYR 20 1.031 0.017 -1.670
138 HD1 TYR 20 2HD TYR 20 2.433 -3.481 0.247
139 HD2 TYR 20 1HD TYR 20 1.970 -2.119 -3.789
140 HE1 TYR 20 2HE TYR 20 4.602 -4.432 -0.338
141 HE2 TYR 20 1HE TYR 20 4.156 -3.085 -4.353
142 HH TYR 20 HH TYR 20 5.871 -5.160 -2.197
143 HB2 TYR 20 2HB TYR 20 0.139 -2.739 -0.750
144 HB3 TYR 20 1HB TYR 20 0.127 -2.067 -2.370
145 H TYR 21 H TYR 21 -1.101 0.612 -2.125
146 HA TYR 21 HA TYR 21 -2.869 0.480 0.217
147 HD1 TYR 21 1HD TYR 21 -5.421 2.178 -2.390
148 HD2 TYR 21 2HD TYR 21 -3.849 3.203 1.451
149 HE1 TYR 21 1HE TYR 21 -7.674 2.803 -1.627
150 HE2 TYR 21 2HE TYR 21 -6.101 3.822 2.196
151 HH TYR 21 HH TYR 21 -8.919 3.054 0.392
152 HB2 TYR 21 2HB TYR 21 -2.346 2.806 -0.458
153 HB3 TYR 21 1HB TYR 21 -2.991 2.478 -2.063
154 H ASN 22 H ASN 22 -4.009 -1.153 0.037
155 HA ASN 22 HA ASN 22 -4.736 -2.609 -2.210
156 HB2 ASN 22 2HB ASN 22 -4.748 -3.566 0.011
157 HB3 ASN 22 1HB ASN 22 -5.875 -2.361 0.599
158 HD21 ASN 22 1HD2 ASN 22 -5.931 -5.262 0.703
159 HD22 ASN 22 2HD2 ASN 22 -7.413 -5.750 -0.036
160 H ASN 23 H ASN 23 -5.766 -1.585 -3.844
161 HA ASN 23 HA ASN 23 -8.041 0.145 -3.264
162 HB2 ASN 23 2HB ASN 23 -6.210 0.648 -5.003
163 HB3 ASN 23 1HB ASN 23 -6.979 -0.582 -5.996
164 HD21 ASN 23 1HD2 ASN 23 -8.829 -0.096 -7.082
165 HD22 ASN 23 2HD2 ASN 23 -9.551 1.473 -7.086
166 H ARG 24 H ARG 24 -7.677 -2.967 -3.172
167 HA ARG 24 HA ARG 24 -9.584 -4.048 -4.947
168 HE ARG 24 HE ARG 24 -10.946 -8.397 -4.722
169 HB2 ARG 24 2HB ARG 24 -7.864 -5.394 -3.788
170 HB3 ARG 24 1HB ARG 24 -8.742 -5.153 -2.284
171 HG2 ARG 24 2HG ARG 24 -9.247 -7.324 -3.243
172 HG3 ARG 24 1HG ARG 24 -10.683 -6.296 -3.210
173 HD2 ARG 24 2HD ARG 24 -10.377 -5.764 -5.568
174 HD3 ARG 24 1HD ARG 24 -8.907 -6.738 -5.610
175 HH11 ARG 24 1HH1 ARG 24 -10.140 -6.576 -7.627
176 HH12 ARG 24 2HH1 ARG 24 -11.013 -7.651 -8.686
177 HH21 ARG 24 1HH2 ARG 24 -12.079 -9.818 -6.139
178 HH22 ARG 24 2HH2 ARG 24 -12.104 -9.476 -7.844
179 H THR 25 H THR 25 -9.853 -3.973 -1.431
180 HA THR 25 HA THR 25 -12.709 -3.383 -1.648
181 HB THR 25 HB THR 25 -12.137 -5.394 -0.377
182 HG1 THR 25 1HG THR 25 -13.148 -3.224 1.174
183 HG21 THR 25 3HG2 THR 25 -9.948 -4.692 0.343
184 HG22 THR 25 1HG2 THR 25 -10.921 -5.174 1.732
185 HG23 THR 25 2HG2 THR 25 -10.664 -3.465 1.377
186 H LEU 26 H LEU 26 -10.193 -1.609 -1.717
187 HA LEU 26 HA LEU 26 -9.330 0.283 -0.891
188 HG LEU 26 HG LEU 26 -12.129 0.765 -2.193
189 HB2 LEU 26 2HB LEU 26 -12.103 0.672 0.243
190 HB3 LEU 26 1HB LEU 26 -10.834 1.880 0.296
191 HD11 LEU 26 1HD1 LEU 26 -12.182 3.506 -0.945
192 HD12 LEU 26 2HD1 LEU 26 -13.516 2.352 -0.985
193 HD13 LEU 26 3HD1 LEU 26 -12.918 3.059 -2.485
194 HD21 LEU 26 3HD2 LEU 26 -9.743 1.187 -2.557
195 HD22 LEU 26 1HD2 LEU 26 -9.936 2.822 -1.923
196 HD23 LEU 26 2HD2 LEU 26 -10.744 2.355 -3.418
197 H GLU 27 H GLU 27 -7.877 -0.762 0.274
198 HA GLU 27 HA GLU 27 -8.168 -0.813 3.181
199 HB2 GLU 27 2HB GLU 27 -8.729 -3.111 2.290
200 HB3 GLU 27 1HB GLU 27 -7.165 -3.140 1.504
201 HG2 GLU 27 2HG GLU 27 -7.286 -4.438 3.611
202 HG3 GLU 27 1HG GLU 27 -6.012 -3.211 3.560
203 H SER 28 H SER 28 -5.884 -1.297 4.115
204 HA SER 28 HA SER 28 -3.826 -0.252 2.291
205 HG SER 28 HG SER 28 -4.954 1.612 3.642
206 HB2 SER 28 2HB SER 28 -4.244 0.028 5.237
207 HB3 SER 28 1HB SER 28 -2.642 0.244 4.562
208 H THR 29 H THR 29 -1.779 -1.239 2.304
209 HA THR 29 HA THR 29 -1.454 -3.725 3.815
210 HB THR 29 HB THR 29 -0.254 -4.562 1.642
211 HG1 THR 29 1HG THR 29 -0.992 -2.333 0.704
212 HG21 THR 29 3HG2 THR 29 -3.225 -4.457 1.973
213 HG22 THR 29 1HG2 THR 29 -2.119 -5.683 2.598
214 HG23 THR 29 2HG2 THR 29 -2.390 -5.534 0.847
215 H TRP 30 H TRP 30 0.422 -3.735 4.813
216 HA TRP 30 HA TRP 30 2.084 -1.425 4.551
217 HD1 TRP 30 HD TRP 30 0.753 -2.203 8.299
218 HE1 TRP 30 1HE TRP 30 1.103 0.162 9.268
219 HE3 TRP 30 3HE TRP 30 4.610 -0.676 5.314
220 HZ2 TRP 30 2HZ TRP 30 2.783 2.413 8.766
221 HZ3 TRP 30 3HZ TRP 30 5.538 1.577 5.630
222 HH2 TRP 30 HH TRP 30 4.655 3.079 7.334
223 HB2 TRP 30 2HB TRP 30 1.870 -3.626 6.444
224 HB3 TRP 30 1HB TRP 30 3.547 -3.176 6.122
225 H GLU 31 H GLU 31 3.090 -4.841 4.308
226 HA GLU 31 HA GLU 31 4.927 -3.958 2.187
227 HB2 GLU 31 2HB GLU 31 5.326 -5.635 4.409
228 HB3 GLU 31 1HB GLU 31 5.265 -6.674 2.994
229 HG2 GLU 31 2HG GLU 31 7.020 -4.254 3.035
230 HG3 GLU 31 1HG GLU 31 7.546 -5.779 3.748
231 H LYS 32 H LYS 32 5.401 -6.244 0.910
232 HA LYS 32 HA LYS 32 3.556 -6.673 -1.003
233 HB2 LYS 32 2HB LYS 32 5.409 -8.686 0.266
234 HB3 LYS 32 1HB LYS 32 4.521 -8.994 -1.216
235 HG2 LYS 32 2HG LYS 32 5.703 -7.231 -2.351
236 HG3 LYS 32 1HG LYS 32 6.506 -6.760 -0.850
237 HD2 LYS 32 2HD LYS 32 7.613 -8.923 -0.737
238 HD3 LYS 32 1HD LYS 32 6.781 -9.440 -2.203
239 HE2 LYS 32 2HE LYS 32 8.638 -7.071 -2.074
240 HE3 LYS 32 1HE LYS 32 9.155 -8.696 -2.522
241 HZ1 LYS 32 3HZ LYS 32 7.220 -6.964 -3.963
242 HZ2 LYS 32 1HZ LYS 32 7.465 -8.601 -4.333
243 HZ3 LYS 32 2HZ LYS 32 8.737 -7.493 -4.505
244 HA PRO 33 HA PRO 33 -0.020 -8.330 1.216
245 HB2 PRO 33 2HB PRO 33 -0.825 -8.609 -1.638
246 HB3 PRO 33 1HB PRO 33 -1.725 -7.918 -0.288
247 HG2 PRO 33 2HG PRO 33 -0.627 -6.343 -2.116
248 HG3 PRO 33 1HG PRO 33 -0.596 -5.891 -0.399
249 HD2 PRO 33 2HD PRO 33 1.587 -6.996 -2.114
250 HD3 PRO 33 1HD PRO 33 1.671 -5.782 -0.820
251 H GLN 34 H GLN 34 -1.219 -10.364 1.029
252 HA GLN 34 HA GLN 34 0.388 -12.593 1.082
253 HB2 GLN 34 2HB GLN 34 -2.558 -12.595 0.403
254 HB3 GLN 34 1HB GLN 34 -1.642 -13.910 1.125
255 HG2 GLN 34 2HG GLN 34 -1.383 -12.756 3.154
256 HG3 GLN 34 1HG GLN 34 -1.930 -11.239 2.449
257 HE21 GLN 34 1HE2 GLN 34 -2.881 -14.327 3.706
258 HE22 GLN 34 2HE2 GLN 34 -4.575 -13.984 3.819
259 H GLU 35 H GLU 35 -1.474 -11.320 -1.618
260 HA GLU 35 HA GLU 35 -0.798 -13.577 -3.293
261 HB2 GLU 35 2HB GLU 35 -2.431 -11.099 -3.835
262 HB3 GLU 35 1HB GLU 35 -2.190 -12.408 -4.990
263 HG2 GLU 35 2HG GLU 35 -3.479 -12.654 -2.280
264 HG3 GLU 35 1HG GLU 35 -4.317 -12.651 -3.833
265 H LEU 36 H LEU 36 0.268 -10.327 -2.792
266 HA LEU 36 HA LEU 36 1.920 -10.325 -5.168
267 HG LEU 36 HG LEU 36 0.450 -8.131 -5.464
268 HB2 LEU 36 2HB LEU 36 1.146 -8.378 -3.135
269 HB3 LEU 36 1HB LEU 36 2.822 -8.251 -3.608
270 HD11 LEU 36 1HD1 LEU 36 2.312 -5.897 -4.681
271 HD12 LEU 36 2HD1 LEU 36 0.750 -6.172 -3.898
272 HD13 LEU 36 3HD1 LEU 36 0.819 -5.806 -5.626
273 HD21 LEU 36 3HD2 LEU 36 2.101 -7.485 -7.121
274 HD22 LEU 36 1HD2 LEU 36 2.433 -9.088 -6.469
275 HD23 LEU 36 2HD2 LEU 36 3.381 -7.705 -5.928
276 H LYS 37 H LYS 37 2.810 -12.401 -4.416
277 HA LYS 37 HA LYS 37 4.883 -12.105 -2.367
278 HB2 LYS 37 2HB LYS 37 4.836 -14.705 -2.549
279 HB3 LYS 37 1HB LYS 37 3.551 -13.877 -1.681
280 HG2 LYS 37 2HG LYS 37 2.174 -13.999 -3.767
281 HG3 LYS 37 1HG LYS 37 3.433 -15.015 -4.470
282 HD2 LYS 37 2HD LYS 37 3.111 -16.677 -2.739
283 HD3 LYS 37 1HD LYS 37 1.942 -15.637 -1.920
284 HE2 LYS 37 2HE LYS 37 1.624 -16.772 -4.698
285 HE3 LYS 37 1HE LYS 37 0.871 -17.430 -3.245
286 HZ1 LYS 37 3HZ LYS 37 -0.398 -15.429 -2.977
287 HZ2 LYS 37 1HZ LYS 37 -0.607 -15.968 -4.570
288 HZ3 LYS 37 2HZ LYS 37 0.426 -14.669 -4.246
289 H1 GLY 101 1HT GLY 101 -0.679 18.259 -8.079
290 H2 GLY 101 2HT GLY 101 -0.155 17.563 -9.530
291 H3 GLY 101 3HT GLY 101 0.333 19.135 -9.112
292 HA2 GLY 101 1HA GLY 101 2.133 17.600 -8.729
293 HA3 GLY 101 2HA GLY 101 1.551 18.264 -7.207
294 HA PRO 102 HA PRO 102 1.583 13.633 -6.981
295 HB2 PRO 102 2HB PRO 102 3.115 13.823 -4.547
296 HB3 PRO 102 1HB PRO 102 3.606 13.144 -6.096
297 HG2 PRO 102 2HG PRO 102 4.653 15.436 -4.998
298 HG3 PRO 102 1HG PRO 102 4.671 15.055 -6.728
299 HD2 PRO 102 2HD PRO 102 2.857 16.869 -5.198
300 HD3 PRO 102 1HD PRO 102 3.523 17.054 -6.836
301 HA PRO 103 HA PRO 103 -1.615 13.543 -3.879
302 HB2 PRO 103 2HB PRO 103 -1.958 10.874 -3.740
303 HB3 PRO 103 1HB PRO 103 -2.467 11.803 -5.142
304 HG2 PRO 103 2HG PRO 103 -0.024 10.134 -4.776
305 HG3 PRO 103 1HG PRO 103 -1.079 10.279 -6.194
306 HD2 PRO 103 2HD PRO 103 1.324 11.569 -5.927
307 HD3 PRO 103 1HD PRO 103 -0.010 12.157 -6.938
308 H LEU 104 H LEU 104 -1.800 13.266 -1.661
309 HA LEU 104 HA LEU 104 0.537 12.401 -0.209
310 HG LEU 104 HG LEU 104 -0.899 11.889 2.489
311 HB2 LEU 104 2HB LEU 104 -0.906 14.239 0.594
312 HB3 LEU 104 1HB LEU 104 -2.232 13.109 0.778
313 HD11 LEU 104 1HD1 LEU 104 1.070 12.946 3.443
314 HD12 LEU 104 2HD1 LEU 104 0.979 14.236 2.244
315 HD13 LEU 104 3HD1 LEU 104 1.328 12.583 1.736
316 HD21 LEU 104 3HD2 LEU 104 -1.414 14.818 3.001
317 HD22 LEU 104 1HD2 LEU 104 -1.175 13.600 4.254
318 HD23 LEU 104 2HD2 LEU 104 -2.570 13.498 3.179
319 H ILE 105 H ILE 105 0.726 10.514 1.015
320 HA ILE 105 HA ILE 105 -0.931 8.314 0.166
321 HB ILE 105 HB ILE 105 1.190 7.951 2.301
322 HG12 ILE 105 2HG1 ILE 105 2.733 7.519 0.264
323 HG13 ILE 105 1HG1 ILE 105 1.592 8.495 -0.640
324 HG21 ILE 105 1HG2 ILE 105 -0.238 6.089 1.652
325 HG22 ILE 105 2HG2 ILE 105 1.453 5.815 1.228
326 HG23 ILE 105 3HG2 ILE 105 0.295 6.273 -0.020
327 HD11 ILE 105 3HD1 ILE 105 3.259 9.966 -0.108
328 HD12 ILE 105 1HD1 ILE 105 3.454 9.330 1.533
329 HD13 ILE 105 2HD1 ILE 105 2.033 10.287 1.120
330 HA PRO 106 HA PRO 106 -3.345 8.122 4.012
331 HB2 PRO 106 2HB PRO 106 -3.678 5.278 3.344
332 HB3 PRO 106 1HB PRO 106 -4.921 6.513 3.466
333 HG2 PRO 106 2HG PRO 106 -4.219 5.414 1.114
334 HG3 PRO 106 1HG PRO 106 -4.741 7.104 1.245
335 HD2 PRO 106 2HD PRO 106 -1.974 5.984 1.003
336 HD3 PRO 106 1HD PRO 106 -2.687 7.419 0.232
337 HA PRO 107 HA PRO 107 -0.062 5.873 6.154
338 HB2 PRO 107 2HB PRO 107 -1.629 5.783 8.594
339 HB3 PRO 107 1HB PRO 107 -0.187 6.742 8.257
340 HG2 PRO 107 2HG PRO 107 -2.676 7.818 8.603
341 HG3 PRO 107 1HG PRO 107 -1.407 8.578 7.627
342 HD2 PRO 107 2HD PRO 107 -3.775 6.969 6.746
343 HD3 PRO 107 1HD PRO 107 -3.058 8.421 6.009
344 HA PRO 108 HA PRO 108 -1.947 1.814 6.126
345 HB2 PRO 108 2HB PRO 108 0.544 0.591 6.784
346 HB3 PRO 108 1HB PRO 108 -0.224 0.701 5.190
347 HG2 PRO 108 2HG PRO 108 2.112 1.983 5.912
348 HG3 PRO 108 1HG PRO 108 1.053 2.464 4.566
349 HD2 PRO 108 2HD PRO 108 1.299 3.622 7.297
350 HD3 PRO 108 1HD PRO 108 1.028 4.396 5.710
351 HA PRO 109 HA PRO 109 -2.556 0.884 10.442
352 HB2 PRO 109 2HB PRO 109 -3.734 -1.545 10.125
353 HB3 PRO 109 1HB PRO 109 -4.561 -0.025 9.762
354 HG2 PRO 109 2HG PRO 109 -3.221 -1.945 7.881
355 HG3 PRO 109 1HG PRO 109 -4.761 -1.081 7.695
356 HD2 PRO 109 2HD PRO 109 -2.458 -0.295 6.521
357 HD3 PRO 109 1HD PRO 109 -3.740 0.832 7.003
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -1.481 -18.652 -16.545
2 H2 GLY 1 2HT GLY 1 -0.947 -18.558 -14.939
3 H3 GLY 1 3HT GLY 1 -0.051 -17.820 -16.174
4 HA2 GLY 1 1HA GLY 1 -1.233 -16.133 -15.005
5 HA3 GLY 1 2HA GLY 1 -1.905 -16.313 -16.616
6 H ALA 2 H ALA 2 -2.394 -18.218 -13.642
7 HA ALA 2 HA ALA 2 -5.267 -17.594 -13.827
8 HB1 ALA 2 1HB ALA 2 -3.861 -19.707 -12.185
9 HB2 ALA 2 2HB ALA 2 -4.678 -19.980 -13.725
10 HB3 ALA 2 3HB ALA 2 -5.603 -19.475 -12.312
11 H THR 3 H THR 3 -2.587 -16.395 -12.525
12 HA THR 3 HA THR 3 -3.613 -15.842 -9.861
13 HB THR 3 HB THR 3 -1.314 -14.633 -9.716
14 HG1 THR 3 1HG THR 3 -0.576 -14.611 -11.775
15 HG21 THR 3 3HG2 THR 3 -1.870 -16.749 -8.578
16 HG22 THR 3 1HG2 THR 3 -0.203 -16.734 -9.158
17 HG23 THR 3 2HG2 THR 3 -1.435 -17.637 -10.036
18 H ALA 4 H ALA 4 -5.134 -14.280 -9.965
19 HA ALA 4 HA ALA 4 -4.274 -11.705 -11.104
20 HB1 ALA 4 1HB ALA 4 -6.640 -11.135 -11.395
21 HB2 ALA 4 2HB ALA 4 -7.104 -12.719 -10.773
22 HB3 ALA 4 3HB ALA 4 -6.222 -12.593 -12.296
23 H VAL 5 H VAL 5 -3.338 -10.845 -9.308
24 HA VAL 5 HA VAL 5 -4.556 -11.158 -6.717
25 HB VAL 5 HB VAL 5 -2.696 -9.964 -5.807
26 HG11 VAL 5 1HG1 VAL 5 -0.816 -11.288 -6.593
27 HG12 VAL 5 2HG1 VAL 5 -1.699 -11.693 -8.066
28 HG13 VAL 5 3HG1 VAL 5 -2.275 -12.273 -6.504
29 HG21 VAL 5 3HG2 VAL 5 -1.678 -9.308 -8.560
30 HG22 VAL 5 1HG2 VAL 5 -1.102 -8.693 -7.003
31 HG23 VAL 5 2HG2 VAL 5 -2.683 -8.194 -7.632
32 H SER 6 H SER 6 -4.532 -8.991 -5.351
33 HA SER 6 HA SER 6 -6.470 -7.216 -6.505
34 HG SER 6 HG SER 6 -5.644 -8.872 -3.833
35 HB2 SER 6 2HB SER 6 -5.024 -6.709 -3.976
36 HB3 SER 6 1HB SER 6 -6.678 -6.284 -4.419
37 H GLU 7 H GLU 7 -6.208 -4.912 -6.598
38 HA GLU 7 HA GLU 7 -3.784 -4.399 -8.004
39 HB2 GLU 7 2HB GLU 7 -6.093 -2.601 -7.262
40 HB3 GLU 7 1HB GLU 7 -4.708 -2.072 -8.213
41 HG2 GLU 7 2HG GLU 7 -5.235 -3.803 -9.887
42 HG3 GLU 7 1HG GLU 7 -6.662 -4.242 -8.955
43 H TRP 8 H TRP 8 -2.053 -4.097 -7.058
44 HA TRP 8 HA TRP 8 -1.953 -2.926 -4.350
45 HD1 TRP 8 HD TRP 8 -0.322 -7.394 -5.312
46 HE1 TRP 8 1HE TRP 8 -2.042 -8.797 -3.985
47 HE3 TRP 8 3HE TRP 8 -2.681 -3.642 -3.002
48 HZ2 TRP 8 2HZ TRP 8 -4.216 -8.289 -2.184
49 HZ3 TRP 8 3HZ TRP 8 -4.614 -4.115 -1.618
50 HH2 TRP 8 HH TRP 8 -5.387 -6.338 -1.161
51 HB2 TRP 8 2HB TRP 8 0.002 -4.822 -5.738
52 HB3 TRP 8 1HB TRP 8 0.169 -4.214 -4.101
53 H THR 9 H THR 9 -1.443 -0.792 -4.688
54 HA THR 9 HA THR 9 0.550 -0.150 -6.726
55 HB THR 9 HB THR 9 -1.414 1.262 -6.702
56 HG1 THR 9 1HG THR 9 -0.274 2.842 -7.359
57 HG21 THR 9 3HG2 THR 9 -2.059 1.191 -4.376
58 HG22 THR 9 1HG2 THR 9 -1.858 2.866 -4.892
59 HG23 THR 9 2HG2 THR 9 -0.595 2.075 -3.947
60 H GLU 10 H GLU 10 1.463 2.043 -5.846
61 HA GLU 10 HA GLU 10 3.297 1.154 -3.674
62 HB2 GLU 10 2HB GLU 10 3.900 2.990 -6.000
63 HB3 GLU 10 1HB GLU 10 5.016 2.604 -4.709
64 HG2 GLU 10 2HG GLU 10 5.024 0.266 -5.438
65 HG3 GLU 10 1HG GLU 10 3.934 0.695 -6.766
66 H TYR 11 H TYR 11 2.729 2.201 -1.928
67 HA TYR 11 HA TYR 11 2.594 5.103 -2.171
68 HD1 TYR 11 2HD TYR 11 1.620 6.861 -1.004
69 HD2 TYR 11 1HD TYR 11 -1.327 4.173 -2.408
70 HE1 TYR 11 2HE TYR 11 0.450 8.758 -2.000
71 HE2 TYR 11 1HE TYR 11 -2.545 6.038 -3.461
72 HH TYR 11 HH TYR 11 -2.743 8.515 -3.193
73 HB2 TYR 11 2HB TYR 11 0.525 3.351 -1.206
74 HB3 TYR 11 1HB TYR 11 1.043 4.453 0.071
75 H LYS 12 H LYS 12 4.718 5.262 -1.661
76 HA LYS 12 HA LYS 12 5.651 4.016 0.791
77 HB2 LYS 12 2HB LYS 12 7.152 5.580 -1.331
78 HB3 LYS 12 1HB LYS 12 7.898 4.829 0.072
79 HG2 LYS 12 2HG LYS 12 8.304 3.231 -1.496
80 HG3 LYS 12 1HG LYS 12 6.750 2.664 -0.894
81 HD2 LYS 12 2HD LYS 12 6.577 2.560 -3.238
82 HD3 LYS 12 1HD LYS 12 5.703 4.022 -2.778
83 HE2 LYS 12 2HE LYS 12 7.581 5.398 -3.396
84 HE3 LYS 12 1HE LYS 12 8.568 3.973 -3.720
85 HZ1 LYS 12 3HZ LYS 12 7.052 3.384 -5.526
86 HZ2 LYS 12 1HZ LYS 12 7.721 4.928 -5.761
87 HZ3 LYS 12 2HZ LYS 12 6.124 4.777 -5.215
88 H THR 13 H THR 13 5.746 5.036 2.624
89 HA THR 13 HA THR 13 4.976 7.817 2.737
90 HB THR 13 HB THR 13 4.859 7.431 5.175
91 HG1 THR 13 1HG THR 13 5.167 5.093 5.758
92 HG21 THR 13 3HG2 THR 13 3.087 5.738 5.155
93 HG22 THR 13 1HG2 THR 13 3.571 5.267 3.528
94 HG23 THR 13 2HG2 THR 13 2.924 6.881 3.823
95 H ALA 14 H ALA 14 6.238 8.946 4.785
96 HA ALA 14 HA ALA 14 8.824 9.490 3.656
97 HB1 ALA 14 1HB ALA 14 7.425 11.286 4.542
98 HB2 ALA 14 2HB ALA 14 8.981 11.224 5.371
99 HB3 ALA 14 3HB ALA 14 7.538 10.584 6.157
100 H ASP 15 H ASP 15 7.773 7.147 5.733
101 HA ASP 15 HA ASP 15 9.996 7.059 7.539
102 HB2 ASP 15 2HB ASP 15 7.739 6.063 8.014
103 HB3 ASP 15 1HB ASP 15 8.084 4.825 6.810
104 H GLY 16 H GLY 16 9.570 6.323 4.291
105 HA2 GLY 16 2HA GLY 16 11.139 5.546 2.773
106 HA3 GLY 16 1HA GLY 16 12.192 5.134 4.117
107 H LYS 17 H LYS 17 8.877 4.062 3.817
108 HA LYS 17 HA LYS 17 9.864 1.320 3.382
109 HB2 LYS 17 2HB LYS 17 7.408 2.205 4.915
110 HB3 LYS 17 1HB LYS 17 7.871 0.539 4.614
111 HG2 LYS 17 2HG LYS 17 9.453 2.531 6.222
112 HG3 LYS 17 1HG LYS 17 8.424 1.258 6.881
113 HD2 LYS 17 2HD LYS 17 9.851 -0.405 5.684
114 HD3 LYS 17 1HD LYS 17 10.934 0.917 5.247
115 HE2 LYS 17 2HE LYS 17 10.230 0.048 8.049
116 HE3 LYS 17 1HE LYS 17 11.746 -0.279 7.215
117 HZ1 LYS 17 3HZ LYS 17 12.172 2.097 7.126
118 HZ2 LYS 17 1HZ LYS 17 11.950 1.587 8.727
119 HZ3 LYS 17 2HZ LYS 17 10.709 2.417 7.927
120 H THR 18 H THR 18 8.775 0.059 1.880
121 HA THR 18 HA THR 18 7.118 1.497 -0.005
122 HB THR 18 HB THR 18 7.929 -1.420 -0.096
123 HG1 THR 18 1HG THR 18 9.497 -0.406 -1.697
124 HG21 THR 18 3HG2 THR 18 7.512 -1.176 -2.514
125 HG22 THR 18 1HG2 THR 18 6.997 0.490 -2.252
126 HG23 THR 18 2HG2 THR 18 6.059 -0.841 -1.572
127 H TYR 19 H TYR 19 5.295 1.887 1.213
128 HA TYR 19 HA TYR 19 3.796 -0.350 2.286
129 HD1 TYR 19 1HD TYR 19 1.012 0.181 2.715
130 HD2 TYR 19 2HD TYR 19 2.331 4.240 3.297
131 HE1 TYR 19 1HE TYR 19 -1.297 0.934 2.898
132 HE2 TYR 19 2HE TYR 19 0.076 4.913 3.459
133 HH TYR 19 HH TYR 19 -2.132 4.289 2.960
134 HB2 TYR 19 2HB TYR 19 3.627 1.334 3.821
135 HB3 TYR 19 1HB TYR 19 3.925 2.582 2.636
136 H TYR 20 H TYR 20 1.892 -1.109 1.383
137 HA TYR 20 HA TYR 20 1.455 -0.194 -1.398
138 HD1 TYR 20 2HD TYR 20 2.485 -2.300 -3.138
139 HD2 TYR 20 1HD TYR 20 2.522 -3.864 0.860
140 HE1 TYR 20 2HE TYR 20 4.583 -3.477 -3.605
141 HE2 TYR 20 1HE TYR 20 4.609 -5.026 0.356
142 HH TYR 20 HH TYR 20 5.797 -5.914 -1.734
143 HB2 TYR 20 2HB TYR 20 0.442 -2.795 -0.155
144 HB3 TYR 20 1HB TYR 20 0.453 -2.339 -1.843
145 H TYR 21 H TYR 21 -0.626 0.425 -2.033
146 HA TYR 21 HA TYR 21 -2.619 0.432 0.134
147 HD1 TYR 21 2HD TYR 21 -4.868 2.057 -2.648
148 HD2 TYR 21 1HD TYR 21 -3.551 3.402 1.204
149 HE1 TYR 21 2HE TYR 21 -7.137 2.835 -2.137
150 HE2 TYR 21 1HE TYR 21 -5.819 4.159 1.696
151 HH TYR 21 HH TYR 21 -7.850 4.880 0.448
152 HB2 TYR 21 2HB TYR 21 -1.935 2.732 -0.525
153 HB3 TYR 21 1HB TYR 21 -2.452 2.401 -2.170
154 H ASN 22 H ASN 22 -4.342 -0.660 -0.169
155 HA ASN 22 HA ASN 22 -4.468 -2.463 -2.390
156 HB2 ASN 22 2HB ASN 22 -4.903 -3.352 -0.233
157 HB3 ASN 22 1HB ASN 22 -5.998 -2.050 0.184
158 HD21 ASN 22 1HD2 ASN 22 -6.202 -5.037 0.199
159 HD22 ASN 22 2HD2 ASN 22 -7.662 -5.373 -0.665
160 H ASN 23 H ASN 23 -5.366 -1.928 -4.242
161 HA ASN 23 HA ASN 23 -7.592 -0.033 -4.294
162 HB2 ASN 23 2HB ASN 23 -6.035 -1.273 -6.580
163 HB3 ASN 23 1HB ASN 23 -7.292 -0.052 -6.747
164 HD21 ASN 23 1HD2 ASN 23 -6.858 2.066 -6.122
165 HD22 ASN 23 2HD2 ASN 23 -5.248 2.645 -5.874
166 H ARG 24 H ARG 24 -7.399 -3.135 -3.616
167 HA ARG 24 HA ARG 24 -9.205 -4.361 -5.413
168 HE ARG 24 HE ARG 24 -10.994 -8.867 -3.509
169 HB2 ARG 24 2HB ARG 24 -7.742 -5.655 -3.880
170 HB3 ARG 24 1HB ARG 24 -8.747 -5.124 -2.536
171 HG2 ARG 24 2HG ARG 24 -10.664 -6.266 -3.453
172 HG3 ARG 24 1HG ARG 24 -9.753 -6.707 -4.898
173 HD2 ARG 24 2HD ARG 24 -8.182 -7.969 -3.408
174 HD3 ARG 24 1HD ARG 24 -9.300 -7.664 -2.078
175 HH11 ARG 24 1HH1 ARG 24 -7.554 -9.503 -3.831
176 HH12 ARG 24 2HH1 ARG 24 -7.778 -11.151 -4.339
177 HH21 ARG 24 1HH2 ARG 24 -11.288 -11.011 -4.190
178 HH22 ARG 24 2HH2 ARG 24 -9.911 -12.008 -4.563
179 H THR 25 H THR 25 -9.922 -3.893 -1.983
180 HA THR 25 HA THR 25 -12.575 -2.880 -2.683
181 HB THR 25 HB THR 25 -12.603 -4.848 -1.248
182 HG1 THR 25 1HG THR 25 -13.481 -2.357 -0.212
183 HG21 THR 25 3HG2 THR 25 -11.029 -3.088 0.596
184 HG22 THR 25 1HG2 THR 25 -10.477 -4.563 -0.184
185 HG23 THR 25 2HG2 THR 25 -11.734 -4.640 1.054
186 H LEU 26 H LEU 26 -9.742 -1.595 -2.270
187 HA LEU 26 HA LEU 26 -8.852 0.345 -1.547
188 HG LEU 26 HG LEU 26 -11.449 0.999 -3.109
189 HB2 LEU 26 2HB LEU 26 -11.661 1.027 -0.676
190 HB3 LEU 26 1HB LEU 26 -10.293 2.120 -0.554
191 HD11 LEU 26 1HD1 LEU 26 -11.469 3.775 -1.936
192 HD12 LEU 26 2HD1 LEU 26 -12.859 2.704 -2.126
193 HD13 LEU 26 3HD1 LEU 26 -12.038 3.350 -3.549
194 HD21 LEU 26 3HD2 LEU 26 -9.152 2.903 -2.674
195 HD22 LEU 26 1HD2 LEU 26 -9.863 2.493 -4.237
196 HD23 LEU 26 2HD2 LEU 26 -9.039 1.253 -3.288
197 H GLU 27 H GLU 27 -7.555 -0.648 -0.193
198 HA GLU 27 HA GLU 27 -8.156 -0.591 2.669
199 HB2 GLU 27 2HB GLU 27 -8.656 -2.837 2.468
200 HB3 GLU 27 1HB GLU 27 -7.784 -2.993 0.962
201 HG2 GLU 27 2HG GLU 27 -5.688 -3.163 2.161
202 HG3 GLU 27 1HG GLU 27 -6.522 -2.947 3.688
203 H SER 28 H SER 28 -5.968 -0.998 3.898
204 HA SER 28 HA SER 28 -3.735 -0.152 2.188
205 HG SER 28 HG SER 28 -3.403 2.450 3.598
206 HB2 SER 28 2HB SER 28 -4.244 0.387 5.087
207 HB3 SER 28 1HB SER 28 -2.682 0.633 4.371
208 H THR 29 H THR 29 -1.743 -1.129 2.437
209 HA THR 29 HA THR 29 -1.582 -3.499 4.134
210 HB THR 29 HB THR 29 -0.330 -4.535 2.086
211 HG1 THR 29 1HG THR 29 -0.898 -2.349 0.966
212 HG21 THR 29 3HG2 THR 29 -2.336 -5.447 3.072
213 HG22 THR 29 1HG2 THR 29 -2.413 -5.538 1.306
214 HG23 THR 29 2HG2 THR 29 -3.319 -4.289 2.168
215 H TRP 30 H TRP 30 0.263 -3.531 5.208
216 HA TRP 30 HA TRP 30 2.146 -1.416 4.798
217 HD1 TRP 30 HD TRP 30 0.607 -1.918 8.497
218 HE1 TRP 30 1HE TRP 30 1.115 0.421 9.456
219 HE3 TRP 30 3HE TRP 30 4.776 -0.802 5.750
220 HZ2 TRP 30 2HZ TRP 30 3.014 2.495 9.046
221 HZ3 TRP 30 3HZ TRP 30 5.881 1.368 6.101
222 HH2 TRP 30 HH TRP 30 5.026 2.972 7.729
223 HB2 TRP 30 2HB TRP 30 1.752 -3.504 6.821
224 HB3 TRP 30 1HB TRP 30 3.452 -3.159 6.487
225 H GLU 31 H GLU 31 2.789 -4.888 4.916
226 HA GLU 31 HA GLU 31 4.796 -4.462 2.823
227 HB2 GLU 31 2HB GLU 31 5.900 -6.399 3.684
228 HB3 GLU 31 1HB GLU 31 5.667 -5.229 4.967
229 HG2 GLU 31 2HG GLU 31 3.520 -6.584 5.462
230 HG3 GLU 31 1HG GLU 31 4.320 -7.857 4.544
231 H LYS 32 H LYS 32 5.250 -7.007 2.029
232 HA LYS 32 HA LYS 32 3.637 -7.528 -0.060
233 HB2 LYS 32 2HB LYS 32 5.076 -9.575 1.629
234 HB3 LYS 32 1HB LYS 32 4.486 -9.849 -0.002
235 HG2 LYS 32 2HG LYS 32 6.016 -8.164 -0.856
236 HG3 LYS 32 1HG LYS 32 6.582 -7.836 0.783
237 HD2 LYS 32 2HD LYS 32 7.368 -10.153 0.968
238 HD3 LYS 32 1HD LYS 32 6.816 -10.466 -0.676
239 HE2 LYS 32 2HE LYS 32 8.907 -8.439 0.104
240 HE3 LYS 32 1HE LYS 32 9.238 -10.041 -0.550
241 HZ1 LYS 32 3HZ LYS 32 7.719 -7.907 -1.951
242 HZ2 LYS 32 1HZ LYS 32 8.102 -9.432 -2.580
243 HZ3 LYS 32 2HZ LYS 32 9.335 -8.312 -2.253
244 HA PRO 33 HA PRO 33 -0.375 -8.838 1.631
245 HB2 PRO 33 2HB PRO 33 -0.408 -9.280 -1.343
246 HB3 PRO 33 1HB PRO 33 -1.684 -8.633 -0.291
247 HG2 PRO 33 2HG PRO 33 -0.282 -6.962 -1.730
248 HG3 PRO 33 1HG PRO 33 -0.552 -6.585 -0.015
249 HD2 PRO 33 2HD PRO 33 1.894 -7.701 -1.342
250 HD3 PRO 33 1HD PRO 33 1.766 -6.459 -0.078
251 H GLN 34 H GLN 34 -1.636 -10.862 1.266
252 HA GLN 34 HA GLN 34 -0.066 -13.185 1.569
253 HB2 GLN 34 2HB GLN 34 -2.075 -14.330 1.837
254 HB3 GLN 34 1HB GLN 34 -2.528 -12.685 2.240
255 HG2 GLN 34 2HG GLN 34 -3.516 -12.354 0.091
256 HG3 GLN 34 1HG GLN 34 -2.972 -13.947 -0.436
257 HE21 GLN 34 1HE2 GLN 34 -4.002 -15.779 0.355
258 HE22 GLN 34 2HE2 GLN 34 -5.565 -15.695 1.100
259 H GLU 35 H GLU 35 -1.796 -11.798 -1.096
260 HA GLU 35 HA GLU 35 -1.141 -13.804 -3.021
261 HB2 GLU 35 2HB GLU 35 -1.865 -10.935 -3.601
262 HB3 GLU 35 1HB GLU 35 -2.099 -12.333 -4.638
263 HG2 GLU 35 2HG GLU 35 -3.806 -13.184 -3.137
264 HG3 GLU 35 1HG GLU 35 -3.543 -11.820 -2.049
265 H LEU 36 H LEU 36 -0.142 -10.420 -2.734
266 HA LEU 36 HA LEU 36 1.902 -10.646 -4.681
267 HG LEU 36 HG LEU 36 3.228 -7.888 -3.202
268 HB2 LEU 36 2HB LEU 36 0.623 -8.660 -4.449
269 HB3 LEU 36 1HB LEU 36 1.003 -8.544 -2.757
270 HD11 LEU 36 1HD1 LEU 36 2.504 -8.225 -6.101
271 HD12 LEU 36 2HD1 LEU 36 3.580 -9.279 -5.186
272 HD13 LEU 36 3HD1 LEU 36 4.031 -7.597 -5.484
273 HD21 LEU 36 3HD2 LEU 36 1.204 -6.464 -4.920
274 HD22 LEU 36 1HD2 LEU 36 2.735 -5.771 -4.356
275 HD23 LEU 36 2HD2 LEU 36 1.469 -6.203 -3.191
276 H LYS 37 H LYS 37 3.764 -11.642 -4.284
277 HA LYS 37 HA LYS 37 5.214 -10.932 -1.844
278 HB2 LYS 37 2HB LYS 37 6.108 -13.295 -1.798
279 HB3 LYS 37 1HB LYS 37 4.425 -13.107 -1.335
280 HG2 LYS 37 2HG LYS 37 3.782 -13.799 -3.641
281 HG3 LYS 37 1HG LYS 37 5.482 -14.142 -3.960
282 HD2 LYS 37 2HD LYS 37 4.352 -16.186 -3.353
283 HD3 LYS 37 1HD LYS 37 5.474 -15.739 -2.068
284 HE2 LYS 37 2HE LYS 37 3.390 -16.463 -1.091
285 HE3 LYS 37 1HE LYS 37 3.603 -14.734 -0.820
286 HZ1 LYS 37 3HZ LYS 37 1.363 -15.120 -1.478
287 HZ2 LYS 37 1HZ LYS 37 1.836 -16.012 -2.840
288 HZ3 LYS 37 2HZ LYS 37 2.147 -14.348 -2.763
289 H1 GLY 101 1HT GLY 101 0.916 17.876 -9.182
290 H2 GLY 101 2HT GLY 101 0.395 19.414 -8.677
291 H3 GLY 101 3HT GLY 101 -0.424 18.025 -8.162
292 HA2 GLY 101 1HA GLY 101 2.392 18.645 -7.479
293 HA3 GLY 101 2HA GLY 101 1.019 18.952 -6.420
294 HA PRO 102 HA PRO 102 2.485 14.474 -6.065
295 HB2 PRO 102 2HB PRO 102 3.866 14.545 -3.746
296 HB3 PRO 102 1HB PRO 102 4.626 14.890 -5.304
297 HG2 PRO 102 2HG PRO 102 3.687 16.785 -3.189
298 HG3 PRO 102 1HG PRO 102 5.151 16.853 -4.187
299 HD2 PRO 102 2HD PRO 102 2.873 18.306 -4.690
300 HD3 PRO 102 1HD PRO 102 4.058 17.852 -5.929
301 HA PRO 103 HA PRO 103 -0.865 13.933 -3.178
302 HB2 PRO 103 2HB PRO 103 -0.958 11.260 -3.132
303 HB3 PRO 103 1HB PRO 103 -1.426 12.175 -4.571
304 HG2 PRO 103 2HG PRO 103 1.135 10.732 -3.995
305 HG3 PRO 103 1HG PRO 103 0.200 10.798 -5.500
306 HD2 PRO 103 2HD PRO 103 2.425 12.338 -4.991
307 HD3 PRO 103 1HD PRO 103 1.147 12.773 -6.141
308 H LEU 104 H LEU 104 -1.102 13.652 -0.969
309 HA LEU 104 HA LEU 104 1.163 12.727 0.560
310 HG LEU 104 HG LEU 104 -2.304 13.917 0.352
311 HB2 LEU 104 2HB LEU 104 -0.453 12.948 2.501
312 HB3 LEU 104 1HB LEU 104 -0.078 14.421 1.633
313 HD11 LEU 104 1HD1 LEU 104 -2.650 11.690 1.286
314 HD12 LEU 104 2HD1 LEU 104 -3.979 12.779 1.685
315 HD13 LEU 104 3HD1 LEU 104 -2.763 12.390 2.905
316 HD21 LEU 104 3HD2 LEU 104 -3.537 15.194 2.031
317 HD22 LEU 104 1HD2 LEU 104 -1.921 15.847 1.778
318 HD23 LEU 104 2HD2 LEU 104 -2.264 14.875 3.209
319 H ILE 105 H ILE 105 1.299 10.752 1.673
320 HA ILE 105 HA ILE 105 -0.316 8.648 0.542
321 HB ILE 105 HB ILE 105 1.759 8.224 2.746
322 HG12 ILE 105 2HG1 ILE 105 3.221 7.605 0.662
323 HG13 ILE 105 1HG1 ILE 105 2.097 8.615 -0.225
324 HG21 ILE 105 1HG2 ILE 105 1.957 6.019 1.678
325 HG22 ILE 105 2HG2 ILE 105 0.582 6.434 0.651
326 HG23 ILE 105 3HG2 ILE 105 0.381 6.336 2.396
327 HD11 ILE 105 3HD1 ILE 105 2.766 10.535 0.791
328 HD12 ILE 105 1HD1 ILE 105 4.275 9.655 0.542
329 HD13 ILE 105 2HD1 ILE 105 3.537 9.698 2.147
330 HA PRO 106 HA PRO 106 -3.085 8.335 4.116
331 HB2 PRO 106 2HB PRO 106 -3.764 5.702 3.749
332 HB3 PRO 106 1HB PRO 106 -4.509 6.977 2.804
333 HG2 PRO 106 2HG PRO 106 -2.280 5.151 2.053
334 HG3 PRO 106 1HG PRO 106 -3.665 5.693 1.086
335 HD2 PRO 106 2HD PRO 106 -1.219 6.759 0.793
336 HD3 PRO 106 1HD PRO 106 -2.697 7.726 0.606
337 HA PRO 107 HA PRO 107 -0.005 6.100 6.513
338 HB2 PRO 107 2HB PRO 107 -1.241 5.873 8.919
339 HB3 PRO 107 1HB PRO 107 -0.524 7.389 8.363
340 HG2 PRO 107 2HG PRO 107 -3.387 6.556 8.429
341 HG3 PRO 107 1HG PRO 107 -2.675 8.152 8.711
342 HD2 PRO 107 2HD PRO 107 -3.894 7.361 6.353
343 HD3 PRO 107 1HD PRO 107 -2.721 8.689 6.488
344 HA PRO 108 HA PRO 108 -1.802 2.020 6.206
345 HB2 PRO 108 2HB PRO 108 0.588 0.772 7.123
346 HB3 PRO 108 1HB PRO 108 0.001 0.914 5.461
347 HG2 PRO 108 2HG PRO 108 2.251 2.163 6.464
348 HG3 PRO 108 1HG PRO 108 1.365 2.647 5.002
349 HD2 PRO 108 2HD PRO 108 1.317 3.835 7.726
350 HD3 PRO 108 1HD PRO 108 1.188 4.589 6.115
351 HA PRO 109 HA PRO 109 -2.845 0.908 10.402
352 HB2 PRO 109 2HB PRO 109 -3.959 -1.512 9.817
353 HB3 PRO 109 1HB PRO 109 -4.777 0.026 9.521
354 HG2 PRO 109 2HG PRO 109 -3.289 -1.720 7.587
355 HG3 PRO 109 1HG PRO 109 -4.818 -0.848 7.368
356 HD2 PRO 109 2HD PRO 109 -2.443 0.034 6.423
357 HD3 PRO 109 1HD PRO 109 -3.756 1.120 6.911
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -6.424 -23.874 -6.500
2 H2 GLY 1 2HT GLY 1 -8.064 -23.809 -6.070
3 H3 GLY 1 3HT GLY 1 -6.900 -23.039 -5.105
4 HA2 GLY 1 1HA GLY 1 -7.587 -22.299 -7.893
5 HA3 GLY 1 2HA GLY 1 -8.126 -21.447 -6.453
6 H ALA 2 H ALA 2 -7.005 -19.681 -7.742
7 HA ALA 2 HA ALA 2 -4.163 -19.619 -6.955
8 HB1 ALA 2 1HB ALA 2 -3.762 -18.112 -8.851
9 HB2 ALA 2 2HB ALA 2 -5.450 -18.281 -9.334
10 HB3 ALA 2 3HB ALA 2 -4.376 -19.679 -9.378
11 H THR 3 H THR 3 -3.356 -17.348 -6.607
12 HA THR 3 HA THR 3 -4.981 -16.041 -4.700
13 HB THR 3 HB THR 3 -3.141 -14.223 -4.956
14 HG1 THR 3 1HG THR 3 -1.198 -15.223 -5.905
15 HG21 THR 3 3HG2 THR 3 -3.239 -15.782 -3.098
16 HG22 THR 3 1HG2 THR 3 -1.570 -15.606 -3.640
17 HG23 THR 3 2HG2 THR 3 -2.494 -17.041 -4.083
18 H ALA 4 H ALA 4 -6.295 -14.329 -4.853
19 HA ALA 4 HA ALA 4 -6.895 -13.325 -7.522
20 HB1 ALA 4 1HB ALA 4 -8.830 -12.247 -6.439
21 HB2 ALA 4 2HB ALA 4 -8.282 -12.859 -4.878
22 HB3 ALA 4 3HB ALA 4 -8.783 -13.985 -6.140
23 H VAL 5 H VAL 5 -5.379 -11.876 -8.085
24 HA VAL 5 HA VAL 5 -4.090 -10.275 -6.104
25 HB VAL 5 HB VAL 5 -2.661 -11.101 -7.748
26 HG11 VAL 5 1HG1 VAL 5 -2.960 -10.554 -10.146
27 HG12 VAL 5 2HG1 VAL 5 -4.531 -9.859 -9.730
28 HG13 VAL 5 3HG1 VAL 5 -4.228 -11.576 -9.472
29 HG21 VAL 5 3HG2 VAL 5 -3.126 -8.181 -8.322
30 HG22 VAL 5 1HG2 VAL 5 -1.663 -9.083 -8.720
31 HG23 VAL 5 2HG2 VAL 5 -2.118 -8.838 -7.032
32 H SER 6 H SER 6 -4.796 -8.493 -5.379
33 HA SER 6 HA SER 6 -6.842 -6.994 -6.732
34 HG SER 6 HG SER 6 -7.184 -8.407 -4.825
35 HB2 SER 6 2HB SER 6 -5.557 -6.368 -4.113
36 HB3 SER 6 1HB SER 6 -7.100 -5.763 -4.722
37 H GLU 7 H GLU 7 -6.637 -4.542 -6.508
38 HA GLU 7 HA GLU 7 -4.373 -3.841 -8.093
39 HB2 GLU 7 2HB GLU 7 -6.551 -2.145 -6.851
40 HB3 GLU 7 1HB GLU 7 -5.365 -1.567 -8.020
41 HG2 GLU 7 2HG GLU 7 -6.245 -2.892 -9.734
42 HG3 GLU 7 1HG GLU 7 -7.156 -3.892 -8.606
43 H TRP 8 H TRP 8 -2.526 -3.731 -7.236
44 HA TRP 8 HA TRP 8 -2.190 -2.717 -4.484
45 HD1 TRP 8 HD TRP 8 -0.630 -6.979 -6.210
46 HE1 TRP 8 1HE TRP 8 -2.193 -8.703 -5.120
47 HE3 TRP 8 3HE TRP 8 -2.925 -3.924 -2.916
48 HZ2 TRP 8 2HZ TRP 8 -4.190 -8.722 -3.114
49 HZ3 TRP 8 3HZ TRP 8 -4.673 -4.829 -1.511
50 HH2 TRP 8 HH TRP 8 -5.311 -7.143 -1.547
51 HB2 TRP 8 2HB TRP 8 -0.246 -4.463 -6.042
52 HB3 TRP 8 1HB TRP 8 -0.178 -4.077 -4.335
53 H THR 9 H THR 9 -1.623 -0.602 -4.712
54 HA THR 9 HA THR 9 0.350 0.099 -6.745
55 HB THR 9 HB THR 9 -1.284 1.712 -6.843
56 HG1 THR 9 1HG THR 9 -0.383 3.629 -6.206
57 HG21 THR 9 3HG2 THR 9 -2.297 2.869 -4.900
58 HG22 THR 9 1HG2 THR 9 -1.347 1.818 -3.847
59 HG23 THR 9 2HG2 THR 9 -2.592 1.125 -4.891
60 H GLU 10 H GLU 10 1.660 1.950 -5.951
61 HA GLU 10 HA GLU 10 3.244 0.910 -3.656
62 HB2 GLU 10 2HB GLU 10 4.296 2.534 -5.974
63 HB3 GLU 10 1HB GLU 10 5.238 1.778 -4.701
64 HG2 GLU 10 2HG GLU 10 4.688 -0.413 -5.542
65 HG3 GLU 10 1HG GLU 10 3.637 0.295 -6.774
66 H TYR 11 H TYR 11 2.630 2.152 -2.021
67 HA TYR 11 HA TYR 11 2.758 5.060 -2.414
68 HD1 TYR 11 2HD TYR 11 1.929 6.898 -1.411
69 HD2 TYR 11 1HD TYR 11 -1.347 4.448 -2.532
70 HE1 TYR 11 2HE TYR 11 0.824 8.873 -2.343
71 HE2 TYR 11 1HE TYR 11 -2.482 6.401 -3.504
72 HH TYR 11 HH TYR 11 -2.426 8.926 -3.157
73 HB2 TYR 11 2HB TYR 11 0.538 3.466 -1.587
74 HB3 TYR 11 1HB TYR 11 1.049 4.461 -0.225
75 H LYS 12 H LYS 12 4.798 5.320 -1.615
76 HA LYS 12 HA LYS 12 5.519 3.930 0.842
77 HB2 LYS 12 2HB LYS 12 7.158 5.533 -1.133
78 HB3 LYS 12 1HB LYS 12 7.820 4.722 0.283
79 HG2 LYS 12 2HG LYS 12 7.663 2.668 -0.649
80 HG3 LYS 12 1HG LYS 12 6.205 3.068 -1.557
81 HD2 LYS 12 2HD LYS 12 8.959 4.089 -2.243
82 HD3 LYS 12 1HD LYS 12 8.225 2.659 -2.968
83 HE2 LYS 12 2HE LYS 12 6.351 4.068 -3.760
84 HE3 LYS 12 1HE LYS 12 7.169 5.484 -3.102
85 HZ1 LYS 12 3HZ LYS 12 9.031 5.041 -4.603
86 HZ2 LYS 12 1HZ LYS 12 7.582 5.276 -5.458
87 HZ3 LYS 12 2HZ LYS 12 8.200 3.709 -5.253
88 H THR 13 H THR 13 5.587 4.873 2.737
89 HA THR 13 HA THR 13 4.845 7.677 2.916
90 HB THR 13 HB THR 13 4.536 7.239 5.308
91 HG1 THR 13 1HG THR 13 5.326 5.475 6.251
92 HG21 THR 13 3HG2 THR 13 3.355 5.060 3.596
93 HG22 THR 13 1HG2 THR 13 2.717 6.692 3.779
94 HG23 THR 13 2HG2 THR 13 2.745 5.598 5.163
95 H ALA 14 H ALA 14 5.951 8.737 5.036
96 HA ALA 14 HA ALA 14 8.683 9.120 4.251
97 HB1 ALA 14 1HB ALA 14 7.287 10.975 5.023
98 HB2 ALA 14 2HB ALA 14 8.750 10.804 5.994
99 HB3 ALA 14 3HB ALA 14 7.206 10.241 6.627
100 H ASP 15 H ASP 15 7.339 6.695 5.944
101 HA ASP 15 HA ASP 15 9.238 6.422 8.091
102 HB2 ASP 15 2HB ASP 15 7.382 4.366 6.854
103 HB3 ASP 15 1HB ASP 15 8.276 4.164 8.356
104 H GLY 16 H GLY 16 9.255 5.900 4.750
105 HA2 GLY 16 2HA GLY 16 11.028 5.224 3.413
106 HA3 GLY 16 1HA GLY 16 11.903 4.743 4.861
107 H LYS 17 H LYS 17 8.659 3.670 4.224
108 HA LYS 17 HA LYS 17 9.706 1.006 3.532
109 HB2 LYS 17 2HB LYS 17 7.267 1.682 5.193
110 HB3 LYS 17 1HB LYS 17 7.696 0.064 4.659
111 HG2 LYS 17 2HG LYS 17 9.390 1.793 6.451
112 HG3 LYS 17 1HG LYS 17 8.308 0.515 7.004
113 HD2 LYS 17 2HD LYS 17 10.633 0.107 5.123
114 HD3 LYS 17 1HD LYS 17 10.684 -0.186 6.860
115 HE2 LYS 17 2HE LYS 17 8.747 -1.545 4.994
116 HE3 LYS 17 1HE LYS 17 10.314 -2.222 5.432
117 HZ1 LYS 17 3HZ LYS 17 8.109 -1.586 7.323
118 HZ2 LYS 17 1HZ LYS 17 9.621 -2.210 7.755
119 HZ3 LYS 17 2HZ LYS 17 8.562 -3.136 6.808
120 H THR 18 H THR 18 8.604 -0.145 1.946
121 HA THR 18 HA THR 18 7.034 1.449 0.126
122 HB THR 18 HB THR 18 7.791 -1.476 -0.096
123 HG1 THR 18 1HG THR 18 9.533 -0.653 -1.375
124 HG21 THR 18 3HG2 THR 18 5.972 -0.802 -1.597
125 HG22 THR 18 1HG2 THR 18 7.449 -1.117 -2.505
126 HG23 THR 18 2HG2 THR 18 6.947 0.545 -2.185
127 H TYR 19 H TYR 19 5.094 1.811 1.062
128 HA TYR 19 HA TYR 19 3.554 -0.399 2.148
129 HD1 TYR 19 2HD TYR 19 0.810 0.124 2.525
130 HD2 TYR 19 1HD TYR 19 2.100 4.176 3.067
131 HE1 TYR 19 2HE TYR 19 -1.515 0.862 2.683
132 HE2 TYR 19 1HE TYR 19 -0.168 4.849 3.244
133 HH TYR 19 HH TYR 19 -2.811 2.725 3.600
134 HB2 TYR 19 2HB TYR 19 3.382 1.296 3.656
135 HB3 TYR 19 1HB TYR 19 3.693 2.535 2.464
136 H TYR 20 H TYR 20 1.656 -1.138 1.245
137 HA TYR 20 HA TYR 20 1.128 -0.180 -1.504
138 HD1 TYR 20 1HD TYR 20 2.645 -3.221 0.651
139 HD2 TYR 20 2HD TYR 20 1.664 -2.856 -3.492
140 HE1 TYR 20 1HE TYR 20 4.708 -4.383 0.047
141 HE2 TYR 20 2HE TYR 20 3.738 -4.023 -4.082
142 HH TYR 20 HH TYR 20 5.979 -4.417 -3.073
143 HB2 TYR 20 2HB TYR 20 0.200 -2.805 -0.262
144 HB3 TYR 20 1HB TYR 20 0.059 -2.315 -1.937
145 H TYR 21 H TYR 21 -0.908 0.588 -2.020
146 HA TYR 21 HA TYR 21 -2.907 0.470 0.142
147 HD1 TYR 21 2HD TYR 21 -5.098 2.294 -2.622
148 HD2 TYR 21 1HD TYR 21 -3.865 3.333 1.341
149 HE1 TYR 21 2HE TYR 21 -7.364 3.064 -2.118
150 HE2 TYR 21 1HE TYR 21 -6.146 4.086 1.836
151 HH TYR 21 HH TYR 21 -8.804 3.448 -0.218
152 HB2 TYR 21 2HB TYR 21 -2.207 2.794 -0.380
153 HB3 TYR 21 1HB TYR 21 -2.693 2.554 -2.053
154 H ASN 22 H ASN 22 -4.749 -0.482 -0.262
155 HA ASN 22 HA ASN 22 -4.782 -2.130 -2.676
156 HB2 ASN 22 2HB ASN 22 -6.511 -2.277 -0.182
157 HB3 ASN 22 1HB ASN 22 -6.389 -3.495 -1.439
158 HD21 ASN 22 1HD2 ASN 22 -3.429 -1.999 -0.528
159 HD22 ASN 22 2HD2 ASN 22 -2.826 -3.299 0.445
160 H ASN 23 H ASN 23 -6.098 -1.501 -4.338
161 HA ASN 23 HA ASN 23 -8.429 0.144 -3.732
162 HB2 ASN 23 2HB ASN 23 -6.949 0.590 -5.740
163 HB3 ASN 23 1HB ASN 23 -7.585 -0.888 -6.450
164 HD21 ASN 23 1HD2 ASN 23 -9.543 -0.850 -7.426
165 HD22 ASN 23 2HD2 ASN 23 -10.538 0.564 -7.539
166 H ARG 24 H ARG 24 -7.865 -2.869 -3.191
167 HA ARG 24 HA ARG 24 -9.790 -4.412 -4.499
168 HE ARG 24 HE ARG 24 -10.705 -8.692 -1.442
169 HB2 ARG 24 2HB ARG 24 -7.980 -5.316 -3.059
170 HB3 ARG 24 1HB ARG 24 -8.856 -4.741 -1.647
171 HG2 ARG 24 2HG ARG 24 -10.709 -6.218 -2.157
172 HG3 ARG 24 1HG ARG 24 -9.900 -6.755 -3.631
173 HD2 ARG 24 2HD ARG 24 -8.064 -7.663 -2.285
174 HD3 ARG 24 1HD ARG 24 -8.879 -7.130 -0.815
175 HH11 ARG 24 1HH1 ARG 24 -7.534 -9.155 -2.856
176 HH12 ARG 24 2HH1 ARG 24 -7.698 -10.880 -2.987
177 HH21 ARG 24 1HH2 ARG 24 -10.922 -10.966 -1.607
178 HH22 ARG 24 2HH2 ARG 24 -9.612 -11.908 -2.271
179 H THR 25 H THR 25 -10.299 -4.039 -1.066
180 HA THR 25 HA THR 25 -12.974 -2.991 -1.565
181 HB THR 25 HB THR 25 -12.900 -5.042 -0.262
182 HG1 THR 25 1HG THR 25 -13.662 -2.685 1.146
183 HG21 THR 25 3HG2 THR 25 -11.854 -5.048 1.946
184 HG22 THR 25 1HG2 THR 25 -11.274 -3.408 1.656
185 HG23 THR 25 2HG2 THR 25 -10.683 -4.733 0.663
186 H LEU 26 H LEU 26 -10.453 -1.457 -1.651
187 HA LEU 26 HA LEU 26 -9.362 0.345 -0.855
188 HG LEU 26 HG LEU 26 -12.118 1.157 -1.846
189 HB2 LEU 26 2HB LEU 26 -11.972 0.823 0.578
190 HB3 LEU 26 1HB LEU 26 -10.615 1.933 0.656
191 HD11 LEU 26 1HD1 LEU 26 -13.432 2.598 -0.409
192 HD12 LEU 26 2HD1 LEU 26 -12.861 3.503 -1.809
193 HD13 LEU 26 3HD1 LEU 26 -12.074 3.712 -0.245
194 HD21 LEU 26 3HD2 LEU 26 -10.761 2.810 -2.970
195 HD22 LEU 26 1HD2 LEU 26 -9.716 1.599 -2.228
196 HD23 LEU 26 2HD2 LEU 26 -9.913 3.179 -1.469
197 H GLU 27 H GLU 27 -7.917 -1.034 0.084
198 HA GLU 27 HA GLU 27 -8.070 -1.236 3.017
199 HB2 GLU 27 2HB GLU 27 -8.520 -3.449 1.954
200 HB3 GLU 27 1HB GLU 27 -7.005 -3.324 1.089
201 HG2 GLU 27 2HG GLU 27 -6.843 -4.814 3.008
202 HG3 GLU 27 1HG GLU 27 -5.759 -3.429 3.150
203 H SER 28 H SER 28 -5.915 -1.376 4.022
204 HA SER 28 HA SER 28 -3.779 -0.415 2.245
205 HG SER 28 HG SER 28 -4.978 1.476 3.087
206 HB2 SER 28 2HB SER 28 -4.304 0.184 5.140
207 HB3 SER 28 1HB SER 28 -2.736 0.465 4.408
208 H THR 29 H THR 29 -1.744 -1.313 2.468
209 HA THR 29 HA THR 29 -1.432 -3.622 4.243
210 HB THR 29 HB THR 29 -0.181 -4.700 2.246
211 HG1 THR 29 1HG THR 29 -0.597 -2.635 1.009
212 HG21 THR 29 3HG2 THR 29 -2.152 -5.680 3.162
213 HG22 THR 29 1HG2 THR 29 -2.265 -5.724 1.394
214 HG23 THR 29 2HG2 THR 29 -3.177 -4.520 2.309
215 H TRP 30 H TRP 30 0.549 -3.694 5.135
216 HA TRP 30 HA TRP 30 2.190 -1.376 4.710
217 HD1 TRP 30 HD TRP 30 0.648 -1.934 8.208
218 HE1 TRP 30 1HE TRP 30 0.975 0.415 9.220
219 HE3 TRP 30 3HE TRP 30 5.002 -0.635 5.853
220 HZ2 TRP 30 2HZ TRP 30 2.816 2.572 8.982
221 HZ3 TRP 30 3HZ TRP 30 5.974 1.579 6.296
222 HH2 TRP 30 HH TRP 30 4.914 3.139 7.841
223 HB2 TRP 30 2HB TRP 30 2.124 -3.519 6.714
224 HB3 TRP 30 1HB TRP 30 3.751 -2.953 6.318
225 H GLU 31 H GLU 31 3.216 -4.777 4.689
226 HA GLU 31 HA GLU 31 4.808 -4.083 2.329
227 HB2 GLU 31 2HB GLU 31 5.245 -6.241 4.386
228 HB3 GLU 31 1HB GLU 31 6.164 -6.084 2.892
229 HG2 GLU 31 2HG GLU 31 7.012 -3.965 3.531
230 HG3 GLU 31 1HG GLU 31 5.938 -3.896 4.926
231 H LYS 32 H LYS 32 5.295 -6.526 1.277
232 HA LYS 32 HA LYS 32 3.439 -6.809 -0.595
233 HB2 LYS 32 2HB LYS 32 5.089 -9.039 0.571
234 HB3 LYS 32 1HB LYS 32 4.258 -9.116 -0.979
235 HG2 LYS 32 2HG LYS 32 5.580 -7.126 -1.702
236 HG3 LYS 32 1HG LYS 32 6.497 -7.257 -0.203
237 HD2 LYS 32 2HD LYS 32 6.273 -9.442 -2.269
238 HD3 LYS 32 1HD LYS 32 7.607 -8.293 -2.174
239 HE2 LYS 32 2HE LYS 32 8.091 -9.097 0.111
240 HE3 LYS 32 1HE LYS 32 6.808 -10.294 -0.061
241 HZ1 LYS 32 3HZ LYS 32 9.287 -10.116 -1.689
242 HZ2 LYS 32 1HZ LYS 32 8.022 -11.209 -1.979
243 HZ3 LYS 32 2HZ LYS 32 8.912 -11.309 -0.542
244 HA PRO 33 HA PRO 33 -0.413 -8.007 1.393
245 HB2 PRO 33 2HB PRO 33 -0.823 -8.310 -1.567
246 HB3 PRO 33 1HB PRO 33 -1.908 -7.617 -0.364
247 HG2 PRO 33 2HG PRO 33 -0.504 -6.014 -1.902
248 HG3 PRO 33 1HG PRO 33 -0.656 -5.657 -0.171
249 HD2 PRO 33 2HD PRO 33 1.665 -6.755 -1.683
250 HD3 PRO 33 1HD PRO 33 1.639 -5.679 -0.273
251 H GLN 34 H GLN 34 -1.637 -9.904 1.554
252 HA GLN 34 HA GLN 34 -0.444 -12.392 1.243
253 HB2 GLN 34 2HB GLN 34 -3.376 -11.654 1.289
254 HB3 GLN 34 1HB GLN 34 -2.781 -13.306 1.383
255 HG2 GLN 34 2HG GLN 34 -2.019 -11.161 3.339
256 HG3 GLN 34 1HG GLN 34 -3.395 -12.239 3.562
257 HE21 GLN 34 1HE2 GLN 34 -3.037 -14.405 3.997
258 HE22 GLN 34 2HE2 GLN 34 -1.498 -15.003 4.512
259 H GLU 35 H GLU 35 -2.693 -10.686 -0.887
260 HA GLU 35 HA GLU 35 -2.495 -12.783 -2.893
261 HB2 GLU 35 2HB GLU 35 -4.084 -10.210 -2.970
262 HB3 GLU 35 1HB GLU 35 -4.255 -11.580 -4.056
263 HG2 GLU 35 2HG GLU 35 -4.851 -11.601 -1.104
264 HG3 GLU 35 1HG GLU 35 -6.042 -11.485 -2.397
265 H LEU 36 H LEU 36 -0.258 -10.875 -2.166
266 HA LEU 36 HA LEU 36 0.271 -9.498 -4.645
267 HG LEU 36 HG LEU 36 3.020 -7.797 -2.958
268 HB2 LEU 36 2HB LEU 36 1.130 -9.004 -2.210
269 HB3 LEU 36 1HB LEU 36 2.403 -10.089 -2.688
270 HD11 LEU 36 1HD1 LEU 36 3.723 -7.841 -5.292
271 HD12 LEU 36 2HD1 LEU 36 2.631 -9.202 -5.540
272 HD13 LEU 36 3HD1 LEU 36 3.995 -9.361 -4.441
273 HD21 LEU 36 3HD2 LEU 36 0.760 -7.539 -4.906
274 HD22 LEU 36 1HD2 LEU 36 1.983 -6.318 -4.564
275 HD23 LEU 36 2HD2 LEU 36 0.833 -6.788 -3.310
276 H LYS 37 H LYS 37 0.742 -12.470 -3.190
277 HA LYS 37 HA LYS 37 2.465 -13.448 -5.376
278 HB2 LYS 37 2HB LYS 37 2.497 -14.751 -2.686
279 HB3 LYS 37 1HB LYS 37 3.758 -14.689 -3.907
280 HG2 LYS 37 2HG LYS 37 4.578 -12.717 -3.166
281 HG3 LYS 37 1HG LYS 37 3.002 -12.132 -2.631
282 HD2 LYS 37 2HD LYS 37 4.569 -14.304 -1.236
283 HD3 LYS 37 1HD LYS 37 4.610 -12.602 -0.776
284 HE2 LYS 37 2HE LYS 37 3.057 -13.664 0.670
285 HE3 LYS 37 1HE LYS 37 2.118 -12.719 -0.479
286 HZ1 LYS 37 3HZ LYS 37 1.622 -14.728 -1.705
287 HZ2 LYS 37 1HZ LYS 37 1.176 -14.928 -0.080
288 HZ3 LYS 37 2HZ LYS 37 2.591 -15.654 -0.667
289 H1 GLY 101 1HT GLY 101 1.104 18.265 -8.812
290 H2 GLY 101 2HT GLY 101 2.572 17.737 -9.471
291 H3 GLY 101 3HT GLY 101 2.407 19.338 -8.939
292 HA2 GLY 101 1HA GLY 101 3.671 18.087 -7.342
293 HA3 GLY 101 2HA GLY 101 2.125 18.582 -6.664
294 HA PRO 102 HA PRO 102 2.611 13.837 -6.700
295 HB2 PRO 102 2HB PRO 102 4.073 13.299 -4.508
296 HB3 PRO 102 1HB PRO 102 4.835 13.632 -6.069
297 HG2 PRO 102 2HG PRO 102 4.447 15.452 -3.723
298 HG3 PRO 102 1HG PRO 102 5.873 15.252 -4.757
299 HD2 PRO 102 2HD PRO 102 4.065 17.283 -5.041
300 HD3 PRO 102 1HD PRO 102 5.045 16.644 -6.373
301 HA PRO 103 HA PRO 103 -0.648 13.886 -3.681
302 HB2 PRO 103 2HB PRO 103 -1.274 11.265 -3.656
303 HB3 PRO 103 1HB PRO 103 -1.645 12.298 -5.038
304 HG2 PRO 103 2HG PRO 103 0.603 10.361 -4.673
305 HG3 PRO 103 1HG PRO 103 -0.388 10.667 -6.111
306 HD2 PRO 103 2HD PRO 103 2.126 11.698 -5.738
307 HD3 PRO 103 1HD PRO 103 0.884 12.455 -6.753
308 H LEU 104 H LEU 104 -0.928 13.520 -1.493
309 HA LEU 104 HA LEU 104 1.334 12.517 -0.018
310 HG LEU 104 HG LEU 104 1.361 14.748 1.105
311 HB2 LEU 104 2HB LEU 104 -1.380 13.518 0.857
312 HB3 LEU 104 1HB LEU 104 -0.166 12.939 1.978
313 HD11 LEU 104 1HD1 LEU 104 -1.186 15.770 -0.134
314 HD12 LEU 104 2HD1 LEU 104 0.245 15.213 -1.001
315 HD13 LEU 104 3HD1 LEU 104 0.330 16.660 0.001
316 HD21 LEU 104 3HD2 LEU 104 -1.208 15.589 2.436
317 HD22 LEU 104 1HD2 LEU 104 0.298 16.507 2.433
318 HD23 LEU 104 2HD2 LEU 104 0.221 14.940 3.239
319 H ILE 105 H ILE 105 1.369 10.657 1.276
320 HA ILE 105 HA ILE 105 -0.304 8.525 0.299
321 HB ILE 105 HB ILE 105 1.690 8.170 2.556
322 HG12 ILE 105 2HG1 ILE 105 3.255 7.539 0.557
323 HG13 ILE 105 1HG1 ILE 105 2.198 8.578 -0.379
324 HG21 ILE 105 1HG2 ILE 105 0.832 6.351 0.336
325 HG22 ILE 105 2HG2 ILE 105 0.225 6.310 1.992
326 HG23 ILE 105 3HG2 ILE 105 1.924 5.963 1.665
327 HD11 ILE 105 3HD1 ILE 105 4.320 9.601 0.501
328 HD12 ILE 105 1HD1 ILE 105 3.561 9.551 2.093
329 HD13 ILE 105 2HD1 ILE 105 2.815 10.476 0.782
330 HA PRO 106 HA PRO 106 -2.996 8.408 3.965
331 HB2 PRO 106 2HB PRO 106 -3.754 5.792 3.684
332 HB3 PRO 106 1HB PRO 106 -4.494 7.066 2.723
333 HG2 PRO 106 2HG PRO 106 -2.333 5.155 1.982
334 HG3 PRO 106 1HG PRO 106 -3.724 5.702 1.023
335 HD2 PRO 106 2HD PRO 106 -1.241 6.686 0.659
336 HD3 PRO 106 1HD PRO 106 -2.693 7.682 0.435
337 HA PRO 107 HA PRO 107 0.072 6.112 6.354
338 HB2 PRO 107 2HB PRO 107 -1.140 5.947 8.780
339 HB3 PRO 107 1HB PRO 107 -0.387 7.438 8.201
340 HG2 PRO 107 2HG PRO 107 -3.272 6.683 8.298
341 HG3 PRO 107 1HG PRO 107 -2.519 8.261 8.571
342 HD2 PRO 107 2HD PRO 107 -3.775 7.490 6.236
343 HD3 PRO 107 1HD PRO 107 -2.566 8.783 6.351
344 HA PRO 108 HA PRO 108 -1.818 2.068 6.127
345 HB2 PRO 108 2HB PRO 108 0.612 0.816 6.940
346 HB3 PRO 108 1HB PRO 108 -0.043 0.953 5.299
347 HG2 PRO 108 2HG PRO 108 2.252 2.209 6.209
348 HG3 PRO 108 1HG PRO 108 1.297 2.700 4.791
349 HD2 PRO 108 2HD PRO 108 1.352 3.866 7.528
350 HD3 PRO 108 1HD PRO 108 1.176 4.634 5.931
351 HA PRO 109 HA PRO 109 -2.574 1.047 10.426
352 HB2 PRO 109 2HB PRO 109 -3.901 -1.265 10.012
353 HB3 PRO 109 1HB PRO 109 -4.628 0.308 9.666
354 HG2 PRO 109 2HG PRO 109 -3.326 -1.629 7.784
355 HG3 PRO 109 1HG PRO 109 -4.845 -0.730 7.586
356 HD2 PRO 109 2HD PRO 109 -2.501 0.033 6.462
357 HD3 PRO 109 1HD PRO 109 -3.754 1.188 6.961
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -5.363 -21.930 -11.363
2 H2 GLY 1 2HT GLY 1 -4.610 -21.102 -10.085
3 H3 GLY 1 3HT GLY 1 -3.964 -21.013 -11.647
4 HA2 GLY 1 1HA GLY 1 -5.144 -18.984 -11.072
5 HA3 GLY 1 2HA GLY 1 -5.883 -19.816 -12.433
6 H ALA 2 H ALA 2 -6.288 -18.655 -9.254
7 HA ALA 2 HA ALA 2 -9.133 -19.267 -9.392
8 HB1 ALA 2 1HB ALA 2 -8.219 -21.181 -8.191
9 HB2 ALA 2 2HB ALA 2 -9.222 -20.191 -7.133
10 HB3 ALA 2 3HB ALA 2 -7.464 -20.101 -7.021
11 H THR 3 H THR 3 -6.453 -17.568 -7.958
12 HA THR 3 HA THR 3 -8.274 -15.698 -6.635
13 HB THR 3 HB THR 3 -6.231 -14.837 -5.513
14 HG1 THR 3 1HG THR 3 -4.287 -15.673 -5.938
15 HG21 THR 3 3HG2 THR 3 -5.880 -16.798 -4.073
16 HG22 THR 3 1HG2 THR 3 -6.684 -17.814 -5.270
17 HG23 THR 3 2HG2 THR 3 -7.589 -16.554 -4.435
18 H ALA 4 H ALA 4 -7.797 -13.396 -6.802
19 HA ALA 4 HA ALA 4 -6.651 -12.688 -9.415
20 HB1 ALA 4 1HB ALA 4 -9.038 -11.425 -8.066
21 HB2 ALA 4 2HB ALA 4 -9.084 -12.485 -9.475
22 HB3 ALA 4 3HB ALA 4 -8.319 -10.899 -9.588
23 H VAL 5 H VAL 5 -5.288 -10.944 -9.469
24 HA VAL 5 HA VAL 5 -4.259 -9.991 -6.954
25 HB VAL 5 HB VAL 5 -3.554 -9.077 -9.742
26 HG11 VAL 5 1HG1 VAL 5 -1.986 -8.830 -7.176
27 HG12 VAL 5 2HG1 VAL 5 -2.842 -7.524 -7.999
28 HG13 VAL 5 3HG1 VAL 5 -1.465 -8.302 -8.778
29 HG21 VAL 5 3HG2 VAL 5 -1.645 -10.616 -9.589
30 HG22 VAL 5 1HG2 VAL 5 -3.194 -11.457 -9.576
31 HG23 VAL 5 2HG2 VAL 5 -2.295 -11.241 -8.074
32 H SER 6 H SER 6 -4.885 -8.244 -5.941
33 HA SER 6 HA SER 6 -6.913 -6.530 -7.019
34 HG SER 6 HG SER 6 -7.507 -8.019 -5.294
35 HB2 SER 6 2HB SER 6 -5.507 -6.298 -4.396
36 HB3 SER 6 1HB SER 6 -7.050 -5.570 -4.850
37 H GLU 7 H GLU 7 -6.647 -4.101 -6.563
38 HA GLU 7 HA GLU 7 -4.346 -3.263 -8.021
39 HB2 GLU 7 2HB GLU 7 -6.411 -1.629 -6.519
40 HB3 GLU 7 1HB GLU 7 -5.156 -0.953 -7.548
41 HG2 GLU 7 2HG GLU 7 -6.974 -0.951 -8.946
42 HG3 GLU 7 1HG GLU 7 -6.182 -2.463 -9.378
43 H TRP 8 H TRP 8 -2.495 -3.389 -7.147
44 HA TRP 8 HA TRP 8 -2.135 -2.689 -4.295
45 HD1 TRP 8 HD TRP 8 -0.641 -6.922 -6.198
46 HE1 TRP 8 1HE TRP 8 -2.271 -8.607 -5.135
47 HE3 TRP 8 3HE TRP 8 -2.976 -3.793 -3.029
48 HZ2 TRP 8 2HZ TRP 8 -4.343 -8.567 -3.188
49 HZ3 TRP 8 3HZ TRP 8 -4.806 -4.625 -1.674
50 HH2 TRP 8 HH TRP 8 -5.488 -6.946 -1.693
51 HB2 TRP 8 2HB TRP 8 -0.311 -4.374 -6.077
52 HB3 TRP 8 1HB TRP 8 -0.105 -4.099 -4.358
53 H THR 9 H THR 9 -1.537 -0.535 -4.423
54 HA THR 9 HA THR 9 0.390 0.214 -6.480
55 HB THR 9 HB THR 9 -0.942 1.963 -6.597
56 HG1 THR 9 1HG THR 9 0.466 2.730 -4.267
57 HG21 THR 9 3HG2 THR 9 -2.655 1.059 -5.096
58 HG22 THR 9 1HG2 THR 9 -2.454 2.791 -4.824
59 HG23 THR 9 2HG2 THR 9 -1.736 1.629 -3.699
60 H GLU 10 H GLU 10 2.039 1.625 -5.983
61 HA GLU 10 HA GLU 10 3.427 0.739 -3.534
62 HB2 GLU 10 2HB GLU 10 4.862 2.210 -5.717
63 HB3 GLU 10 1HB GLU 10 5.466 0.976 -4.627
64 HG2 GLU 10 2HG GLU 10 5.441 -0.219 -6.554
65 HG3 GLU 10 1HG GLU 10 3.802 -0.554 -5.998
66 H TYR 11 H TYR 11 2.794 2.129 -2.019
67 HA TYR 11 HA TYR 11 3.110 5.003 -2.565
68 HD1 TYR 11 2HD TYR 11 2.392 6.912 -1.783
69 HD2 TYR 11 1HD TYR 11 -1.138 4.724 -2.661
70 HE1 TYR 11 2HE TYR 11 1.381 8.943 -2.740
71 HE2 TYR 11 1HE TYR 11 -2.151 6.737 -3.636
72 HH TYR 11 HH TYR 11 -1.887 9.219 -3.405
73 HB2 TYR 11 2HB TYR 11 0.742 3.590 -1.885
74 HB3 TYR 11 1HB TYR 11 1.206 4.515 -0.466
75 H LYS 12 H LYS 12 5.088 5.241 -1.611
76 HA LYS 12 HA LYS 12 5.570 3.954 0.953
77 HB2 LYS 12 2HB LYS 12 7.789 5.565 0.173
78 HB3 LYS 12 1HB LYS 12 7.676 3.810 0.220
79 HG2 LYS 12 2HG LYS 12 6.786 3.809 -2.065
80 HG3 LYS 12 1HG LYS 12 6.921 5.570 -2.111
81 HD2 LYS 12 2HD LYS 12 9.325 5.420 -1.831
82 HD3 LYS 12 1HD LYS 12 9.222 3.664 -1.676
83 HE2 LYS 12 2HE LYS 12 9.946 4.207 -3.902
84 HE3 LYS 12 1HE LYS 12 8.309 3.571 -3.979
85 HZ1 LYS 12 3HZ LYS 12 8.905 6.474 -3.950
86 HZ2 LYS 12 1HZ LYS 12 7.431 5.721 -4.333
87 HZ3 LYS 12 2HZ LYS 12 8.763 5.574 -5.380
88 H THR 13 H THR 13 5.511 4.930 2.839
89 HA THR 13 HA THR 13 4.635 7.686 2.926
90 HB THR 13 HB THR 13 4.376 7.244 5.375
91 HG1 THR 13 1HG THR 13 5.184 5.462 6.223
92 HG21 THR 13 3HG2 THR 13 3.092 5.265 3.511
93 HG22 THR 13 1HG2 THR 13 2.506 6.876 3.901
94 HG23 THR 13 2HG2 THR 13 2.532 5.625 5.142
95 H ALA 14 H ALA 14 5.600 8.717 5.226
96 HA ALA 14 HA ALA 14 8.228 9.519 4.403
97 HB1 ALA 14 1HB ALA 14 6.722 10.251 6.915
98 HB2 ALA 14 2HB ALA 14 6.623 11.109 5.379
99 HB3 ALA 14 3HB ALA 14 8.147 11.071 6.266
100 H ASP 15 H ASP 15 7.170 6.884 6.014
101 HA ASP 15 HA ASP 15 9.238 6.627 7.989
102 HB2 ASP 15 2HB ASP 15 7.459 4.488 6.782
103 HB3 ASP 15 1HB ASP 15 8.413 4.336 8.253
104 H GLY 16 H GLY 16 9.011 6.267 4.639
105 HA2 GLY 16 2HA GLY 16 10.667 5.772 3.108
106 HA3 GLY 16 1HA GLY 16 11.730 5.343 4.440
107 H LYS 17 H LYS 17 8.584 3.921 4.244
108 HA LYS 17 HA LYS 17 9.839 1.378 3.461
109 HB2 LYS 17 2HB LYS 17 9.074 1.493 5.844
110 HB3 LYS 17 1HB LYS 17 7.429 1.733 5.255
111 HG2 LYS 17 2HG LYS 17 7.380 -0.437 4.283
112 HG3 LYS 17 1HG LYS 17 9.108 -0.676 4.578
113 HD2 LYS 17 2HD LYS 17 7.051 -0.280 6.749
114 HD3 LYS 17 1HD LYS 17 7.613 -1.858 6.197
115 HE2 LYS 17 2HE LYS 17 9.332 0.318 7.388
116 HE3 LYS 17 1HE LYS 17 8.782 -1.132 8.225
117 HZ1 LYS 17 3HZ LYS 17 10.980 -1.527 7.502
118 HZ2 LYS 17 1HZ LYS 17 10.658 -0.968 5.935
119 HZ3 LYS 17 2HZ LYS 17 9.985 -2.427 6.476
120 H THR 18 H THR 18 8.564 -0.080 2.230
121 HA THR 18 HA THR 18 7.018 1.326 0.229
122 HB THR 18 HB THR 18 7.593 -1.632 0.251
123 HG1 THR 18 1HG THR 18 9.467 -0.366 -1.140
124 HG21 THR 18 3HG2 THR 18 7.399 0.385 -1.995
125 HG22 THR 18 1HG2 THR 18 6.124 -0.732 -1.512
126 HG23 THR 18 2HG2 THR 18 7.634 -1.355 -2.172
127 H TYR 19 H TYR 19 5.017 1.748 1.004
128 HA TYR 19 HA TYR 19 3.439 -0.431 2.163
129 HD1 TYR 19 2HD TYR 19 0.673 0.127 2.632
130 HD2 TYR 19 1HD TYR 19 2.049 4.171 2.940
131 HE1 TYR 19 2HE TYR 19 -1.634 0.925 2.711
132 HE2 TYR 19 1HE TYR 19 -0.212 4.902 3.017
133 HH TYR 19 HH TYR 19 -2.912 2.830 3.408
134 HB2 TYR 19 2HB TYR 19 3.246 1.246 3.702
135 HB3 TYR 19 1HB TYR 19 3.616 2.495 2.540
136 H TYR 20 H TYR 20 1.588 -1.154 1.192
137 HA TYR 20 HA TYR 20 1.057 -0.076 -1.507
138 HD1 TYR 20 1HD TYR 20 2.044 -2.139 -3.481
139 HD2 TYR 20 2HD TYR 20 2.295 -3.665 0.500
140 HE1 TYR 20 1HE TYR 20 4.198 -3.183 -4.016
141 HE2 TYR 20 2HE TYR 20 4.433 -4.699 -0.042
142 HH TYR 20 HH TYR 20 6.154 -4.009 -2.950
143 HB2 TYR 20 2HB TYR 20 0.143 -2.771 -0.421
144 HB3 TYR 20 1HB TYR 20 0.079 -2.202 -2.078
145 H TYR 21 H TYR 21 -1.063 0.493 -2.068
146 HA TYR 21 HA TYR 21 -2.956 0.534 0.185
147 HD1 TYR 21 2HD TYR 21 -5.243 2.389 -2.607
148 HD2 TYR 21 1HD TYR 21 -3.782 3.314 1.300
149 HE1 TYR 21 2HE TYR 21 -7.435 3.310 -2.004
150 HE2 TYR 21 1HE TYR 21 -5.980 4.226 1.896
151 HH TYR 21 HH TYR 21 -7.935 5.196 0.775
152 HB2 TYR 21 2HB TYR 21 -2.228 2.786 -0.569
153 HB3 TYR 21 1HB TYR 21 -2.849 2.428 -2.174
154 H ASN 22 H ASN 22 -4.340 -0.959 -0.007
155 HA ASN 22 HA ASN 22 -4.760 -2.433 -2.420
156 HB2 ASN 22 2HB ASN 22 -4.673 -3.651 -0.375
157 HB3 ASN 22 1HB ASN 22 -5.755 -2.545 0.444
158 HD21 ASN 22 1HD2 ASN 22 -5.795 -5.477 0.203
159 HD22 ASN 22 2HD2 ASN 22 -7.347 -5.865 -0.451
160 H ASN 23 H ASN 23 -6.165 -1.824 -3.958
161 HA ASN 23 HA ASN 23 -8.447 -0.132 -3.211
162 HB2 ASN 23 2HB ASN 23 -6.876 0.626 -5.027
163 HB3 ASN 23 1HB ASN 23 -7.411 -0.744 -5.988
164 HD21 ASN 23 1HD2 ASN 23 -9.308 -0.645 -7.067
165 HD22 ASN 23 2HD2 ASN 23 -10.334 0.753 -7.088
166 H ARG 24 H ARG 24 -8.040 -3.211 -3.073
167 HA ARG 24 HA ARG 24 -9.926 -4.370 -4.828
168 HE ARG 24 HE ARG 24 -11.459 -8.836 -2.559
169 HB2 ARG 24 2HB ARG 24 -8.264 -5.748 -3.690
170 HB3 ARG 24 1HB ARG 24 -8.981 -5.352 -2.135
171 HG2 ARG 24 2HG ARG 24 -11.062 -6.477 -2.841
172 HG3 ARG 24 1HG ARG 24 -10.282 -6.929 -4.357
173 HD2 ARG 24 2HD ARG 24 -8.657 -8.257 -3.169
174 HD3 ARG 24 1HD ARG 24 -9.290 -7.708 -1.618
175 HH11 ARG 24 1HH1 ARG 24 -8.173 -9.975 -2.933
176 HH12 ARG 24 2HH1 ARG 24 -8.607 -11.652 -2.907
177 HH21 ARG 24 1HH2 ARG 24 -12.045 -11.044 -2.544
178 HH22 ARG 24 2HH2 ARG 24 -10.817 -12.267 -2.702
179 H THR 25 H THR 25 -10.338 -4.473 -1.334
180 HA THR 25 HA THR 25 -13.139 -3.631 -1.609
181 HB THR 25 HB THR 25 -13.293 -4.496 0.774
182 HG1 THR 25 1HG THR 25 -11.361 -4.847 1.596
183 HG21 THR 25 3HG2 THR 25 -14.146 -5.797 -1.089
184 HG22 THR 25 1HG2 THR 25 -13.371 -6.867 0.078
185 HG23 THR 25 2HG2 THR 25 -12.534 -6.433 -1.414
186 H LEU 26 H LEU 26 -10.586 -1.991 -1.496
187 HA LEU 26 HA LEU 26 -9.773 -0.076 -0.622
188 HG LEU 26 HG LEU 26 -12.064 2.594 0.416
189 HB2 LEU 26 2HB LEU 26 -12.353 0.421 -0.523
190 HB3 LEU 26 1HB LEU 26 -12.131 0.231 1.203
191 HD11 LEU 26 1HD1 LEU 26 -9.536 1.554 1.678
192 HD12 LEU 26 2HD1 LEU 26 -11.022 1.997 2.517
193 HD13 LEU 26 3HD1 LEU 26 -10.074 3.235 1.693
194 HD21 LEU 26 3HD2 LEU 26 -10.073 3.396 -0.748
195 HD22 LEU 26 1HD2 LEU 26 -10.959 2.226 -1.725
196 HD23 LEU 26 2HD2 LEU 26 -9.482 1.741 -0.893
197 H GLU 27 H GLU 27 -8.099 -1.031 0.341
198 HA GLU 27 HA GLU 27 -8.209 -1.396 3.233
199 HB2 GLU 27 2HB GLU 27 -8.597 -3.657 2.276
200 HB3 GLU 27 1HB GLU 27 -7.177 -3.472 1.274
201 HG2 GLU 27 2HG GLU 27 -6.759 -4.928 3.171
202 HG3 GLU 27 1HG GLU 27 -5.742 -3.487 3.211
203 H SER 28 H SER 28 -5.992 -1.428 4.145
204 HA SER 28 HA SER 28 -3.957 -0.413 2.271
205 HG SER 28 HG SER 28 -5.026 1.585 3.213
206 HB2 SER 28 2HB SER 28 -4.505 0.238 5.123
207 HB3 SER 28 1HB SER 28 -2.855 0.339 4.547
208 H THR 29 H THR 29 -1.872 -1.268 2.442
209 HA THR 29 HA THR 29 -1.534 -3.657 4.097
210 HB THR 29 HB THR 29 -0.373 -4.650 1.982
211 HG1 THR 29 1HG THR 29 -1.100 -2.431 0.943
212 HG21 THR 29 3HG2 THR 29 -2.285 -5.670 2.987
213 HG22 THR 29 1HG2 THR 29 -2.519 -5.628 1.233
214 HG23 THR 29 2HG2 THR 29 -3.353 -4.462 2.263
215 H TRP 30 H TRP 30 0.509 -3.804 4.916
216 HA TRP 30 HA TRP 30 2.182 -1.520 4.403
217 HD1 TRP 30 HD TRP 30 0.712 -2.117 8.006
218 HE1 TRP 30 1HE TRP 30 1.005 0.249 8.982
219 HE3 TRP 30 3HE TRP 30 4.871 -0.667 5.402
220 HZ2 TRP 30 2HZ TRP 30 2.747 2.490 8.623
221 HZ3 TRP 30 3HZ TRP 30 5.785 1.583 5.777
222 HH2 TRP 30 HH TRP 30 4.759 3.116 7.369
223 HB2 TRP 30 2HB TRP 30 2.155 -3.647 6.442
224 HB3 TRP 30 1HB TRP 30 3.759 -3.046 6.003
225 H GLU 31 H GLU 31 3.405 -4.859 4.561
226 HA GLU 31 HA GLU 31 4.699 -4.252 2.005
227 HB2 GLU 31 2HB GLU 31 5.473 -6.224 4.141
228 HB3 GLU 31 1HB GLU 31 6.194 -6.179 2.539
229 HG2 GLU 31 2HG GLU 31 6.782 -3.768 3.004
230 HG3 GLU 31 1HG GLU 31 6.320 -4.078 4.677
231 H LYS 32 H LYS 32 5.283 -6.425 0.900
232 HA LYS 32 HA LYS 32 3.646 -7.288 -0.818
233 HB2 LYS 32 2HB LYS 32 5.269 -9.170 0.886
234 HB3 LYS 32 1HB LYS 32 4.538 -9.619 -0.651
235 HG2 LYS 32 2HG LYS 32 5.947 -8.267 -1.876
236 HG3 LYS 32 1HG LYS 32 6.329 -7.240 -0.493
237 HD2 LYS 32 2HD LYS 32 7.167 -10.124 -0.662
238 HD3 LYS 32 1HD LYS 32 8.171 -8.800 -1.252
239 HE2 LYS 32 2HE LYS 32 7.121 -9.024 1.569
240 HE3 LYS 32 1HE LYS 32 8.726 -9.547 1.062
241 HZ1 LYS 32 3HZ LYS 32 7.778 -6.768 0.652
242 HZ2 LYS 32 1HZ LYS 32 9.365 -7.355 0.602
243 HZ3 LYS 32 2HZ LYS 32 8.545 -7.252 2.084
244 HA PRO 33 HA PRO 33 -0.253 -8.564 1.213
245 HB2 PRO 33 2HB PRO 33 -0.756 -8.393 -1.733
246 HB3 PRO 33 1HB PRO 33 -1.792 -7.879 -0.386
247 HG2 PRO 33 2HG PRO 33 -0.454 -6.071 -1.757
248 HG3 PRO 33 1HG PRO 33 -0.506 -5.966 0.015
249 HD2 PRO 33 2HD PRO 33 1.699 -6.929 -1.764
250 HD3 PRO 33 1HD PRO 33 1.788 -5.943 -0.289
251 H GLN 34 H GLN 34 -1.650 -10.419 0.645
252 HA GLN 34 HA GLN 34 -0.334 -12.829 0.426
253 HB2 GLN 34 2HB GLN 34 -2.835 -12.130 1.040
254 HB3 GLN 34 1HB GLN 34 -3.120 -12.636 -0.618
255 HG2 GLN 34 2HG GLN 34 -2.112 -14.267 1.677
256 HG3 GLN 34 1HG GLN 34 -3.598 -14.481 0.761
257 HE21 GLN 34 1HE2 GLN 34 -3.416 -15.245 -1.438
258 HE22 GLN 34 2HE2 GLN 34 -2.057 -16.218 -1.899
259 H GLU 35 H GLU 35 -2.232 -11.200 -2.135
260 HA GLU 35 HA GLU 35 -1.404 -13.154 -4.084
261 HB2 GLU 35 2HB GLU 35 -2.976 -10.605 -4.510
262 HB3 GLU 35 1HB GLU 35 -2.855 -11.965 -5.615
263 HG2 GLU 35 2HG GLU 35 -4.204 -11.947 -2.923
264 HG3 GLU 35 1HG GLU 35 -4.982 -12.007 -4.501
265 H LEU 36 H LEU 36 0.293 -10.832 -2.750
266 HA LEU 36 HA LEU 36 1.474 -9.685 -5.165
267 HG LEU 36 HG LEU 36 3.109 -7.134 -3.162
268 HB2 LEU 36 2HB LEU 36 1.049 -8.582 -2.805
269 HB3 LEU 36 1HB LEU 36 2.634 -9.243 -2.479
270 HD11 LEU 36 1HD1 LEU 36 3.097 -8.692 -5.702
271 HD12 LEU 36 2HD1 LEU 36 4.390 -8.638 -4.506
272 HD13 LEU 36 3HD1 LEU 36 3.990 -7.194 -5.441
273 HD21 LEU 36 3HD2 LEU 36 0.925 -7.309 -5.215
274 HD22 LEU 36 1HD2 LEU 36 1.984 -5.918 -4.965
275 HD23 LEU 36 2HD2 LEU 36 0.867 -6.412 -3.688
276 H LYS 37 H LYS 37 2.524 -11.352 -6.156
277 HA LYS 37 HA LYS 37 4.545 -12.778 -4.566
278 HB2 LYS 37 2HB LYS 37 2.747 -14.230 -5.528
279 HB3 LYS 37 1HB LYS 37 3.256 -13.724 -7.134
280 HG2 LYS 37 2HG LYS 37 5.492 -14.673 -6.683
281 HG3 LYS 37 1HG LYS 37 4.896 -15.252 -5.126
282 HD2 LYS 37 2HD LYS 37 3.185 -16.578 -6.322
283 HD3 LYS 37 1HD LYS 37 3.881 -16.047 -7.854
284 HE2 LYS 37 2HE LYS 37 5.284 -17.648 -5.715
285 HE3 LYS 37 1HE LYS 37 4.686 -18.266 -7.254
286 HZ1 LYS 37 3HZ LYS 37 6.234 -16.788 -8.397
287 HZ2 LYS 37 1HZ LYS 37 7.053 -17.845 -7.354
288 HZ3 LYS 37 2HZ LYS 37 6.826 -16.229 -6.907
289 H1 GLY 101 1HT GLY 101 -0.334 18.762 -7.045
290 H2 GLY 101 2HT GLY 101 0.556 20.186 -6.839
291 H3 GLY 101 3HT GLY 101 0.594 18.989 -5.644
292 HA2 GLY 101 1HA GLY 101 1.666 18.725 -8.398
293 HA3 GLY 101 2HA GLY 101 2.627 18.945 -6.940
294 HA PRO 102 HA PRO 102 2.504 14.463 -6.829
295 HB2 PRO 102 2HB PRO 102 4.064 14.132 -4.645
296 HB3 PRO 102 1HB PRO 102 4.742 14.563 -6.221
297 HG2 PRO 102 2HG PRO 102 4.169 16.302 -3.857
298 HG3 PRO 102 1HG PRO 102 5.564 16.323 -4.949
299 HD2 PRO 102 2HD PRO 102 3.464 18.066 -5.134
300 HD3 PRO 102 1HD PRO 102 4.470 17.596 -6.517
301 HA PRO 103 HA PRO 103 -0.680 13.979 -3.765
302 HB2 PRO 103 2HB PRO 103 -0.913 11.290 -3.794
303 HB3 PRO 103 1HB PRO 103 -1.496 12.308 -5.110
304 HG2 PRO 103 2HG PRO 103 0.966 10.640 -4.958
305 HG3 PRO 103 1HG PRO 103 -0.081 10.977 -6.346
306 HD2 PRO 103 2HD PRO 103 2.345 12.214 -5.852
307 HD3 PRO 103 1HD PRO 103 1.061 12.861 -6.890
308 H LEU 104 H LEU 104 -0.859 13.607 -1.597
309 HA LEU 104 HA LEU 104 1.410 12.574 -0.146
310 HG LEU 104 HG LEU 104 -2.125 12.326 1.021
311 HB2 LEU 104 2HB LEU 104 0.167 13.049 1.859
312 HB3 LEU 104 1HB LEU 104 0.034 14.415 0.774
313 HD11 LEU 104 1HD1 LEU 104 -1.857 14.938 2.505
314 HD12 LEU 104 2HD1 LEU 104 -1.753 13.322 3.209
315 HD13 LEU 104 3HD1 LEU 104 -3.274 13.885 2.514
316 HD21 LEU 104 3HD2 LEU 104 -3.541 14.098 0.095
317 HD22 LEU 104 1HD2 LEU 104 -2.218 13.688 -0.995
318 HD23 LEU 104 2HD2 LEU 104 -2.135 15.157 -0.024
319 H ILE 105 H ILE 105 1.477 10.644 1.012
320 HA ILE 105 HA ILE 105 -0.168 8.514 -0.007
321 HB ILE 105 HB ILE 105 1.757 8.159 2.320
322 HG12 ILE 105 2HG1 ILE 105 3.398 7.498 0.402
323 HG13 ILE 105 1HG1 ILE 105 2.380 8.518 -0.603
324 HG21 ILE 105 1HG2 ILE 105 0.889 6.336 0.105
325 HG22 ILE 105 2HG2 ILE 105 0.335 6.292 1.780
326 HG23 ILE 105 3HG2 ILE 105 2.022 5.936 1.396
327 HD11 ILE 105 3HD1 ILE 105 4.375 9.673 0.225
328 HD12 ILE 105 1HD1 ILE 105 3.797 9.445 1.875
329 HD13 ILE 105 2HD1 ILE 105 2.872 10.434 0.743
330 HA PRO 106 HA PRO 106 -2.993 8.490 3.546
331 HB2 PRO 106 2HB PRO 106 -3.383 5.635 3.018
332 HB3 PRO 106 1HB PRO 106 -4.559 6.934 2.856
333 HG2 PRO 106 2HG PRO 106 -3.527 5.578 0.744
334 HG3 PRO 106 1HG PRO 106 -4.090 7.252 0.639
335 HD2 PRO 106 2HD PRO 106 -1.314 6.184 0.816
336 HD3 PRO 106 1HD PRO 106 -1.929 7.582 -0.085
337 HA PRO 107 HA PRO 107 -0.093 6.257 6.152
338 HB2 PRO 107 2HB PRO 107 -1.879 6.209 8.405
339 HB3 PRO 107 1HB PRO 107 -0.468 7.234 8.163
340 HG2 PRO 107 2HG PRO 107 -3.093 8.122 8.218
341 HG3 PRO 107 1HG PRO 107 -1.732 9.004 7.502
342 HD2 PRO 107 2HD PRO 107 -3.862 7.394 6.180
343 HD3 PRO 107 1HD PRO 107 -3.004 8.835 5.591
344 HA PRO 108 HA PRO 108 -2.011 2.202 6.075
345 HB2 PRO 108 2HB PRO 108 0.429 1.021 7.018
346 HB3 PRO 108 1HB PRO 108 -0.225 1.019 5.368
347 HG2 PRO 108 2HG PRO 108 2.063 2.349 6.152
348 HG3 PRO 108 1HG PRO 108 1.082 2.752 4.720
349 HD2 PRO 108 2HD PRO 108 1.153 4.061 7.394
350 HD3 PRO 108 1HD PRO 108 1.005 4.739 5.755
351 HA PRO 109 HA PRO 109 -3.176 1.680 10.304
352 HB2 PRO 109 2HB PRO 109 -4.187 -0.835 10.151
353 HB3 PRO 109 1HB PRO 109 -4.997 0.559 9.433
354 HG2 PRO 109 2HG PRO 109 -3.248 -1.497 8.106
355 HG3 PRO 109 1HG PRO 109 -4.788 -0.803 7.551
356 HD2 PRO 109 2HD PRO 109 -2.373 0.005 6.648
357 HD3 PRO 109 1HD PRO 109 -3.768 1.092 6.768
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -14.376 -18.718 -11.879
2 H2 GLY 1 2HT GLY 1 -12.891 -18.787 -11.073
3 H3 GLY 1 3HT GLY 1 -13.162 -19.762 -12.434
4 HA2 GLY 1 1HA GLY 1 -13.317 -17.805 -13.841
5 HA3 GLY 1 2HA GLY 1 -13.049 -16.797 -12.429
6 H ALA 2 H ALA 2 -11.015 -16.344 -11.821
7 HA ALA 2 HA ALA 2 -8.797 -18.009 -12.629
8 HB1 ALA 2 1HB ALA 2 -9.061 -15.209 -13.725
9 HB2 ALA 2 2HB ALA 2 -9.124 -16.706 -14.654
10 HB3 ALA 2 3HB ALA 2 -7.627 -16.226 -13.854
11 H THR 3 H THR 3 -6.672 -16.657 -12.036
12 HA THR 3 HA THR 3 -6.742 -16.246 -9.259
13 HB THR 3 HB THR 3 -4.616 -15.341 -11.208
14 HG1 THR 3 1HG THR 3 -5.208 -17.843 -9.998
15 HG21 THR 3 3HG2 THR 3 -3.101 -15.544 -9.310
16 HG22 THR 3 1HG2 THR 3 -4.437 -16.052 -8.277
17 HG23 THR 3 2HG2 THR 3 -4.399 -14.413 -8.925
18 H ALA 4 H ALA 4 -7.507 -14.568 -8.184
19 HA ALA 4 HA ALA 4 -7.978 -12.060 -9.588
20 HB1 ALA 4 1HB ALA 4 -9.839 -13.063 -8.390
21 HB2 ALA 4 2HB ALA 4 -9.404 -11.509 -7.678
22 HB3 ALA 4 3HB ALA 4 -8.917 -13.011 -6.889
23 H VAL 5 H VAL 5 -6.830 -10.301 -9.271
24 HA VAL 5 HA VAL 5 -5.203 -10.046 -6.852
25 HB VAL 5 HB VAL 5 -3.629 -10.278 -8.595
26 HG11 VAL 5 1HG1 VAL 5 -3.771 -9.086 -10.696
27 HG12 VAL 5 2HG1 VAL 5 -5.254 -8.300 -10.154
28 HG13 VAL 5 3HG1 VAL 5 -5.223 -10.043 -10.403
29 HG21 VAL 5 3HG2 VAL 5 -2.943 -8.434 -7.220
30 HG22 VAL 5 1HG2 VAL 5 -4.073 -7.345 -8.036
31 HG23 VAL 5 2HG2 VAL 5 -2.667 -7.965 -8.899
32 H SER 6 H SER 6 -5.581 -8.230 -5.635
33 HA SER 6 HA SER 6 -7.678 -6.445 -6.456
34 HG SER 6 HG SER 6 -7.037 -7.933 -3.426
35 HB2 SER 6 2HB SER 6 -5.955 -6.244 -4.037
36 HB3 SER 6 1HB SER 6 -7.472 -5.396 -4.328
37 H GLU 7 H GLU 7 -7.371 -4.060 -6.107
38 HA GLU 7 HA GLU 7 -5.338 -3.253 -7.934
39 HB2 GLU 7 2HB GLU 7 -7.086 -1.473 -6.217
40 HB3 GLU 7 1HB GLU 7 -6.240 -1.034 -7.692
41 HG2 GLU 7 2HG GLU 7 -8.477 -3.045 -7.561
42 HG3 GLU 7 1HG GLU 7 -8.684 -1.345 -7.974
43 H TRP 8 H TRP 8 -3.365 -3.268 -7.304
44 HA TRP 8 HA TRP 8 -2.679 -2.476 -4.542
45 HD1 TRP 8 HD TRP 8 -1.508 -6.793 -6.420
46 HE1 TRP 8 1HE TRP 8 -3.051 -8.383 -5.091
47 HE3 TRP 8 3HE TRP 8 -3.293 -3.484 -3.078
48 HZ2 TRP 8 2HZ TRP 8 -4.847 -8.202 -2.905
49 HZ3 TRP 8 3HZ TRP 8 -4.994 -4.216 -1.494
50 HH2 TRP 8 HH TRP 8 -5.744 -6.497 -1.347
51 HB2 TRP 8 2HB TRP 8 -1.096 -4.244 -6.451
52 HB3 TRP 8 1HB TRP 8 -0.676 -3.889 -4.787
53 H THR 9 H THR 9 -1.640 -0.561 -4.446
54 HA THR 9 HA THR 9 0.003 0.191 -6.763
55 HB THR 9 HB THR 9 -1.483 1.874 -6.797
56 HG1 THR 9 1HG THR 9 0.399 2.871 -4.961
57 HG21 THR 9 3HG2 THR 9 -2.854 1.220 -4.892
58 HG22 THR 9 1HG2 THR 9 -2.545 2.957 -4.844
59 HG23 THR 9 2HG2 THR 9 -1.634 1.871 -3.791
60 H GLU 10 H GLU 10 1.551 1.822 -6.241
61 HA GLU 10 HA GLU 10 3.154 0.923 -3.914
62 HB2 GLU 10 2HB GLU 10 4.005 2.319 -6.443
63 HB3 GLU 10 1HB GLU 10 5.081 1.990 -5.107
64 HG2 GLU 10 2HG GLU 10 3.631 -0.302 -6.309
65 HG3 GLU 10 1HG GLU 10 4.956 0.418 -7.223
66 H TYR 11 H TYR 11 2.735 2.188 -2.308
67 HA TYR 11 HA TYR 11 2.653 5.093 -2.734
68 HD1 TYR 11 1HD TYR 11 1.804 6.817 -2.207
69 HD2 TYR 11 2HD TYR 11 -1.564 4.229 -2.319
70 HE1 TYR 11 1HE TYR 11 0.476 8.624 -3.204
71 HE2 TYR 11 2HE TYR 11 -2.907 6.016 -3.345
72 HH TYR 11 HH TYR 11 -2.852 8.556 -3.373
73 HB2 TYR 11 2HB TYR 11 0.570 3.372 -1.730
74 HB3 TYR 11 1HB TYR 11 1.063 4.505 -0.477
75 H LYS 12 H LYS 12 4.761 5.335 -2.095
76 HA LYS 12 HA LYS 12 5.533 4.231 0.488
77 HB2 LYS 12 2HB LYS 12 7.157 5.581 -1.693
78 HB3 LYS 12 1HB LYS 12 7.836 4.970 -0.188
79 HG2 LYS 12 2HG LYS 12 7.405 2.743 -0.759
80 HG3 LYS 12 1HG LYS 12 6.265 3.195 -2.021
81 HD2 LYS 12 2HD LYS 12 8.307 2.392 -3.021
82 HD3 LYS 12 1HD LYS 12 8.132 4.115 -3.341
83 HE2 LYS 12 2HE LYS 12 9.658 3.395 -0.923
84 HE3 LYS 12 1HE LYS 12 10.401 2.965 -2.463
85 HZ1 LYS 12 3HZ LYS 12 9.749 5.417 -3.043
86 HZ2 LYS 12 1HZ LYS 12 11.176 5.072 -2.195
87 HZ3 LYS 12 2HZ LYS 12 9.806 5.613 -1.355
88 H THR 13 H THR 13 5.614 5.390 2.268
89 HA THR 13 HA THR 13 4.559 8.070 2.128
90 HB THR 13 HB THR 13 4.474 7.878 4.612
91 HG1 THR 13 1HG THR 13 5.409 6.237 5.611
92 HG21 THR 13 3HG2 THR 13 2.575 7.152 3.263
93 HG22 THR 13 1HG2 THR 13 2.766 6.119 4.679
94 HG23 THR 13 2HG2 THR 13 3.292 5.550 3.095
95 H ALA 14 H ALA 14 5.502 9.517 4.075
96 HA ALA 14 HA ALA 14 8.081 10.358 3.208
97 HB1 ALA 14 1HB ALA 14 7.885 12.059 4.962
98 HB2 ALA 14 2HB ALA 14 6.470 11.231 5.609
99 HB3 ALA 14 3HB ALA 14 6.411 11.952 4.001
100 H ASP 15 H ASP 15 7.073 7.965 5.318
101 HA ASP 15 HA ASP 15 9.226 8.020 7.193
102 HB2 ASP 15 2HB ASP 15 7.546 5.619 6.411
103 HB3 ASP 15 1HB ASP 15 8.430 5.860 7.914
104 H GLY 16 H GLY 16 8.881 7.093 3.949
105 HA2 GLY 16 2HA GLY 16 10.514 6.450 2.452
106 HA3 GLY 16 1HA GLY 16 11.641 6.285 3.792
107 H LYS 17 H LYS 17 8.546 4.676 3.770
108 HA LYS 17 HA LYS 17 9.957 2.135 3.324
109 HB2 LYS 17 2HB LYS 17 7.584 2.739 5.084
110 HB3 LYS 17 1HB LYS 17 8.034 1.104 4.623
111 HG2 LYS 17 2HG LYS 17 10.316 1.606 5.624
112 HG3 LYS 17 1HG LYS 17 9.566 3.046 6.324
113 HD2 LYS 17 2HD LYS 17 7.945 1.681 7.492
114 HD3 LYS 17 1HD LYS 17 8.562 0.225 6.712
115 HE2 LYS 17 2HE LYS 17 10.774 0.693 7.801
116 HE3 LYS 17 1HE LYS 17 9.982 1.978 8.710
117 HZ1 LYS 17 3HZ LYS 17 8.479 0.335 9.664
118 HZ2 LYS 17 1HZ LYS 17 10.095 -0.084 9.978
119 HZ3 LYS 17 2HZ LYS 17 9.229 -0.898 8.772
120 H THR 18 H THR 18 8.731 0.441 2.286
121 HA THR 18 HA THR 18 7.124 1.486 0.101
122 HB THR 18 HB THR 18 8.048 -1.348 0.651
123 HG1 THR 18 1HG THR 18 9.704 0.305 0.218
124 HG21 THR 18 3HG2 THR 18 7.525 -1.728 -1.725
125 HG22 THR 18 1HG2 THR 18 6.876 -0.091 -1.836
126 HG23 THR 18 2HG2 THR 18 6.090 -1.284 -0.803
127 H TYR 19 H TYR 19 5.059 1.788 0.467
128 HA TYR 19 HA TYR 19 3.550 -0.235 1.964
129 HD1 TYR 19 2HD TYR 19 0.917 0.265 2.513
130 HD2 TYR 19 1HD TYR 19 2.157 4.345 2.768
131 HE1 TYR 19 2HE TYR 19 -1.411 0.971 2.752
132 HE2 TYR 19 1HE TYR 19 -0.115 4.992 3.018
133 HH TYR 19 HH TYR 19 -2.663 2.870 3.670
134 HB2 TYR 19 2HB TYR 19 3.509 1.521 3.432
135 HB3 TYR 19 1HB TYR 19 3.736 2.721 2.180
136 H TYR 20 H TYR 20 1.664 -0.987 1.007
137 HA TYR 20 HA TYR 20 1.007 0.139 -1.652
138 HD1 TYR 20 1HD TYR 20 2.501 -3.148 0.253
139 HD2 TYR 20 2HD TYR 20 1.517 -2.291 -3.803
140 HE1 TYR 20 1HE TYR 20 4.550 -4.264 -0.479
141 HE2 TYR 20 2HE TYR 20 3.568 -3.413 -4.538
142 HH TYR 20 HH TYR 20 5.792 -3.966 -3.611
143 HB2 TYR 20 2HB TYR 20 0.083 -2.556 -0.561
144 HB3 TYR 20 1HB TYR 20 -0.080 -1.942 -2.190
145 H TYR 21 H TYR 21 -1.106 0.827 -2.057
146 HA TYR 21 HA TYR 21 -2.909 0.731 0.265
147 HD1 TYR 21 2HD TYR 21 -5.269 2.653 -2.370
148 HD2 TYR 21 1HD TYR 21 -3.778 3.501 1.546
149 HE1 TYR 21 2HE TYR 21 -7.490 3.447 -1.691
150 HE2 TYR 21 1HE TYR 21 -6.002 4.292 2.208
151 HH TYR 21 HH TYR 21 -8.790 3.784 0.317
152 HB2 TYR 21 2HB TYR 21 -2.246 3.035 -0.311
153 HB3 TYR 21 1HB TYR 21 -2.847 2.802 -1.947
154 H ASN 22 H ASN 22 -4.546 -0.495 0.061
155 HA ASN 22 HA ASN 22 -5.008 -1.922 -2.392
156 HB2 ASN 22 2HB ASN 22 -4.993 -3.343 -0.566
157 HB3 ASN 22 1HB ASN 22 -5.726 -2.165 0.499
158 HD21 ASN 22 1HD2 ASN 22 -6.219 -5.033 -0.113
159 HD22 ASN 22 2HD2 ASN 22 -7.922 -5.123 -0.405
160 H ASN 23 H ASN 23 -6.441 -1.318 -3.861
161 HA ASN 23 HA ASN 23 -8.664 0.425 -3.073
162 HB2 ASN 23 2HB ASN 23 -7.167 1.065 -4.997
163 HB3 ASN 23 1HB ASN 23 -7.783 -0.328 -5.870
164 HD21 ASN 23 1HD2 ASN 23 -8.605 0.964 -7.504
165 HD22 ASN 23 2HD2 ASN 23 -10.024 1.928 -7.292
166 H ARG 24 H ARG 24 -8.269 -2.597 -2.752
167 HA ARG 24 HA ARG 24 -10.334 -3.862 -4.231
168 HE ARG 24 HE ARG 24 -10.731 -6.355 0.038
169 HB2 ARG 24 2HB ARG 24 -8.530 -5.130 -3.132
170 HB3 ARG 24 1HB ARG 24 -9.173 -4.661 -1.564
171 HG2 ARG 24 2HG ARG 24 -11.331 -5.807 -2.291
172 HG3 ARG 24 1HG ARG 24 -10.383 -6.489 -3.615
173 HD2 ARG 24 2HD ARG 24 -10.438 -8.080 -1.814
174 HD3 ARG 24 1HD ARG 24 -8.809 -7.416 -1.928
175 HH11 ARG 24 1HH1 ARG 24 -7.670 -7.937 -0.671
176 HH12 ARG 24 2HH1 ARG 24 -7.048 -7.706 0.937
177 HH21 ARG 24 1HH2 ARG 24 -9.932 -6.112 2.150
178 HH22 ARG 24 2HH2 ARG 24 -8.324 -6.662 2.540
179 H THR 25 H THR 25 -10.375 -3.778 -0.735
180 HA THR 25 HA THR 25 -13.117 -2.736 -0.725
181 HB THR 25 HB THR 25 -12.963 -3.548 1.735
182 HG1 THR 25 1HG THR 25 -11.132 -4.454 2.255
183 HG21 THR 25 3HG2 THR 25 -14.376 -4.638 0.097
184 HG22 THR 25 1HG2 THR 25 -13.540 -5.858 1.053
185 HG23 THR 25 2HG2 THR 25 -12.987 -5.489 -0.581
186 H LEU 26 H LEU 26 -10.448 -1.270 -0.917
187 HA LEU 26 HA LEU 26 -9.376 0.545 -0.119
188 HG LEU 26 HG LEU 26 -12.218 1.338 -0.945
189 HB2 LEU 26 2HB LEU 26 -11.926 0.934 1.433
190 HB3 LEU 26 1HB LEU 26 -10.587 2.066 1.488
191 HD11 LEU 26 1HD1 LEU 26 -12.909 3.673 -0.879
192 HD12 LEU 26 2HD1 LEU 26 -11.969 3.914 0.594
193 HD13 LEU 26 3HD1 LEU 26 -13.360 2.831 0.605
194 HD21 LEU 26 3HD2 LEU 26 -9.858 1.677 -1.520
195 HD22 LEU 26 1HD2 LEU 26 -9.882 3.238 -0.696
196 HD23 LEU 26 2HD2 LEU 26 -10.869 2.982 -2.142
197 H GLU 27 H GLU 27 -8.409 -1.590 0.752
198 HA GLU 27 HA GLU 27 -8.051 -1.431 3.657
199 HB2 GLU 27 2HB GLU 27 -8.365 -3.667 3.251
200 HB3 GLU 27 1HB GLU 27 -7.838 -3.545 1.585
201 HG2 GLU 27 2HG GLU 27 -5.483 -3.458 2.427
202 HG3 GLU 27 1HG GLU 27 -6.115 -3.813 4.026
203 H SER 28 H SER 28 -5.778 -1.374 4.466
204 HA SER 28 HA SER 28 -3.960 -0.216 2.537
205 HG SER 28 HG SER 28 -4.559 1.713 3.375
206 HB2 SER 28 2HB SER 28 -4.742 0.221 5.301
207 HB3 SER 28 1HB SER 28 -3.032 0.111 5.082
208 H THR 29 H THR 29 -1.813 -1.081 2.439
209 HA THR 29 HA THR 29 -1.329 -3.537 3.962
210 HB THR 29 HB THR 29 -0.269 -4.397 1.730
211 HG1 THR 29 1HG THR 29 -1.142 -2.151 0.851
212 HG21 THR 29 3HG2 THR 29 -3.236 -4.310 2.177
213 HG22 THR 29 1HG2 THR 29 -2.101 -5.494 2.834
214 HG23 THR 29 2HG2 THR 29 -2.407 -5.430 1.088
215 H TRP 30 H TRP 30 0.692 -3.636 4.745
216 HA TRP 30 HA TRP 30 2.352 -1.362 4.254
217 HD1 TRP 30 HD TRP 30 1.010 -2.045 7.914
218 HE1 TRP 30 1HE TRP 30 1.349 0.312 8.920
219 HE3 TRP 30 3HE TRP 30 5.064 -0.589 5.157
220 HZ2 TRP 30 2HZ TRP 30 3.098 2.540 8.510
221 HZ3 TRP 30 3HZ TRP 30 6.009 1.649 5.524
222 HH2 TRP 30 HH TRP 30 5.057 3.168 7.180
223 HB2 TRP 30 2HB TRP 30 2.360 -3.548 6.228
224 HB3 TRP 30 1HB TRP 30 3.963 -2.963 5.766
225 H GLU 31 H GLU 31 3.543 -4.746 4.209
226 HA GLU 31 HA GLU 31 4.914 -3.996 1.734
227 HB2 GLU 31 2HB GLU 31 6.453 -5.717 2.059
228 HB3 GLU 31 1HB GLU 31 6.248 -4.986 3.641
229 HG2 GLU 31 2HG GLU 31 5.074 -6.817 4.467
230 HG3 GLU 31 1HG GLU 31 4.705 -7.419 2.845
231 H LYS 32 H LYS 32 5.322 -6.469 0.689
232 HA LYS 32 HA LYS 32 3.433 -6.713 -1.189
233 HB2 LYS 32 2HB LYS 32 5.140 -8.858 0.025
234 HB3 LYS 32 1HB LYS 32 4.150 -9.140 -1.400
235 HG2 LYS 32 2HG LYS 32 5.353 -7.243 -2.502
236 HG3 LYS 32 1HG LYS 32 6.445 -7.213 -1.113
237 HD2 LYS 32 2HD LYS 32 7.161 -9.452 -1.538
238 HD3 LYS 32 1HD LYS 32 5.922 -9.665 -2.779
239 HE2 LYS 32 2HE LYS 32 7.023 -7.864 -4.092
240 HE3 LYS 32 1HE LYS 32 8.311 -7.825 -2.886
241 HZ1 LYS 32 3HZ LYS 32 8.824 -10.110 -3.379
242 HZ2 LYS 32 1HZ LYS 32 8.882 -9.195 -4.807
243 HZ3 LYS 32 2HZ LYS 32 7.546 -10.204 -4.497
244 HA PRO 33 HA PRO 33 -0.389 -8.150 0.726
245 HB2 PRO 33 2HB PRO 33 -0.783 -8.503 -2.222
246 HB3 PRO 33 1HB PRO 33 -1.889 -7.826 -1.015
247 HG2 PRO 33 2HG PRO 33 -0.587 -6.197 -2.618
248 HG3 PRO 33 1HG PRO 33 -0.698 -5.815 -0.886
249 HD2 PRO 33 2HD PRO 33 1.598 -6.963 -2.429
250 HD3 PRO 33 1HD PRO 33 1.609 -5.740 -1.141
251 H GLN 34 H GLN 34 -1.502 -10.170 0.733
252 HA GLN 34 HA GLN 34 0.119 -12.435 0.747
253 HB2 GLN 34 2HB GLN 34 -2.888 -12.247 0.550
254 HB3 GLN 34 1HB GLN 34 -2.001 -13.714 0.942
255 HG2 GLN 34 2HG GLN 34 -1.081 -12.603 2.929
256 HG3 GLN 34 1HG GLN 34 -2.035 -11.169 2.544
257 HE21 GLN 34 1HE2 GLN 34 -4.308 -12.753 1.603
258 HE22 GLN 34 2HE2 GLN 34 -5.077 -13.380 3.020
259 H GLU 35 H GLU 35 -2.113 -11.291 -1.735
260 HA GLU 35 HA GLU 35 -1.693 -13.452 -3.550
261 HB2 GLU 35 2HB GLU 35 -2.417 -10.720 -4.528
262 HB3 GLU 35 1HB GLU 35 -3.073 -12.280 -4.995
263 HG2 GLU 35 2HG GLU 35 -4.385 -12.399 -3.001
264 HG3 GLU 35 1HG GLU 35 -3.623 -10.945 -2.357
265 H LEU 36 H LEU 36 -0.476 -10.181 -3.257
266 HA LEU 36 HA LEU 36 1.182 -10.420 -5.598
267 HG LEU 36 HG LEU 36 2.513 -7.540 -4.828
268 HB2 LEU 36 2HB LEU 36 -0.287 -8.532 -5.229
269 HB3 LEU 36 1HB LEU 36 0.489 -8.204 -3.713
270 HD11 LEU 36 1HD1 LEU 36 2.501 -7.350 -7.284
271 HD12 LEU 36 2HD1 LEU 36 0.942 -8.174 -7.314
272 HD13 LEU 36 3HD1 LEU 36 2.377 -9.020 -6.739
273 HD21 LEU 36 3HD2 LEU 36 -0.033 -6.311 -5.879
274 HD22 LEU 36 1HD2 LEU 36 1.554 -5.517 -5.866
275 HD23 LEU 36 2HD2 LEU 36 0.752 -5.929 -4.342
276 H LYS 37 H LYS 37 2.478 -12.100 -4.251
277 HA LYS 37 HA LYS 37 4.561 -10.689 -2.726
278 HB2 LYS 37 2HB LYS 37 3.505 -12.414 -1.393
279 HB3 LYS 37 1HB LYS 37 3.755 -13.604 -2.665
280 HG2 LYS 37 2HG LYS 37 6.194 -13.341 -2.380
281 HG3 LYS 37 1HG LYS 37 5.891 -12.241 -1.037
282 HD2 LYS 37 2HD LYS 37 4.902 -13.969 0.265
283 HD3 LYS 37 1HD LYS 37 4.846 -15.063 -1.121
284 HE2 LYS 37 2HE LYS 37 7.374 -14.007 0.141
285 HE3 LYS 37 1HE LYS 37 6.675 -15.595 0.460
286 HZ1 LYS 37 3HZ LYS 37 8.443 -15.714 -1.192
287 HZ2 LYS 37 1HZ LYS 37 7.609 -14.625 -2.195
288 HZ3 LYS 37 2HZ LYS 37 6.953 -16.151 -1.873
289 H1 GLY 101 1HT GLY 101 2.907 17.906 -10.399
290 H2 GLY 101 2HT GLY 101 1.528 16.928 -10.295
291 H3 GLY 101 3HT GLY 101 3.039 16.232 -10.612
292 HA2 GLY 101 1HA GLY 101 3.840 16.846 -8.440
293 HA3 GLY 101 2HA GLY 101 2.299 17.624 -8.100
294 HA PRO 102 HA PRO 102 2.193 12.898 -7.384
295 HB2 PRO 102 2HB PRO 102 3.597 12.957 -4.860
296 HB3 PRO 102 1HB PRO 102 4.026 12.083 -6.331
297 HG2 PRO 102 2HG PRO 102 5.464 14.189 -5.323
298 HG3 PRO 102 1HG PRO 102 5.463 13.709 -7.029
299 HD2 PRO 102 2HD PRO 102 3.972 15.921 -5.677
300 HD3 PRO 102 1HD PRO 102 4.755 15.894 -7.273
301 HA PRO 103 HA PRO 103 -1.038 13.653 -4.365
302 HB2 PRO 103 2HB PRO 103 -1.943 11.123 -4.128
303 HB3 PRO 103 1HB PRO 103 -2.256 12.100 -5.563
304 HG2 PRO 103 2HG PRO 103 -0.237 9.938 -5.155
305 HG3 PRO 103 1HG PRO 103 -1.249 10.280 -6.570
306 HD2 PRO 103 2HD PRO 103 1.385 11.020 -6.358
307 HD3 PRO 103 1HD PRO 103 0.198 11.849 -7.382
308 H LEU 104 H LEU 104 -1.269 13.417 -2.105
309 HA LEU 104 HA LEU 104 1.039 12.367 -0.753
310 HG LEU 104 HG LEU 104 0.029 15.294 1.275
311 HB2 LEU 104 2HB LEU 104 -1.495 13.684 0.179
312 HB3 LEU 104 1HB LEU 104 -0.403 12.929 1.320
313 HD11 LEU 104 1HD1 LEU 104 2.183 13.749 -0.146
314 HD12 LEU 104 2HD1 LEU 104 1.961 13.901 1.598
315 HD13 LEU 104 3HD1 LEU 104 2.406 15.311 0.637
316 HD21 LEU 104 3HD2 LEU 104 0.781 16.447 -0.757
317 HD22 LEU 104 1HD2 LEU 104 -0.872 15.845 -0.913
318 HD23 LEU 104 2HD2 LEU 104 0.458 14.990 -1.696
319 H ILE 105 H ILE 105 1.123 10.639 0.633
320 HA ILE 105 HA ILE 105 -0.658 8.490 -0.045
321 HB ILE 105 HB ILE 105 1.611 8.266 1.960
322 HG12 ILE 105 2HG1 ILE 105 2.839 7.423 -0.199
323 HG13 ILE 105 1HG1 ILE 105 1.671 8.431 -1.038
324 HG21 ILE 105 1HG2 ILE 105 0.095 6.391 1.802
325 HG22 ILE 105 2HG2 ILE 105 1.694 5.981 1.185
326 HG23 ILE 105 3HG2 ILE 105 0.370 6.303 0.066
327 HD11 ILE 105 3HD1 ILE 105 3.848 9.262 0.833
328 HD12 ILE 105 1HD1 ILE 105 2.492 10.325 0.437
329 HD13 ILE 105 2HD1 ILE 105 3.556 9.746 -0.843
330 HA PRO 106 HA PRO 106 -2.991 8.550 3.857
331 HB2 PRO 106 2HB PRO 106 -3.401 5.684 3.343
332 HB3 PRO 106 1HB PRO 106 -4.612 6.953 3.425
333 HG2 PRO 106 2HG PRO 106 -3.995 5.722 1.123
334 HG3 PRO 106 1HG PRO 106 -4.461 7.432 1.179
335 HD2 PRO 106 2HD PRO 106 -1.734 6.221 0.935
336 HD3 PRO 106 1HD PRO 106 -2.419 7.636 0.104
337 HA PRO 107 HA PRO 107 0.246 6.299 6.079
338 HB2 PRO 107 2HB PRO 107 -0.745 6.269 8.600
339 HB3 PRO 107 1HB PRO 107 -0.057 7.729 7.883
340 HG2 PRO 107 2HG PRO 107 -2.925 6.950 8.218
341 HG3 PRO 107 1HG PRO 107 -2.167 8.536 8.437
342 HD2 PRO 107 2HD PRO 107 -3.569 7.794 6.195
343 HD3 PRO 107 1HD PRO 107 -2.296 9.032 6.202
344 HA PRO 108 HA PRO 108 -1.714 2.270 6.220
345 HB2 PRO 108 2HB PRO 108 0.773 1.027 6.876
346 HB3 PRO 108 1HB PRO 108 -0.006 1.088 5.284
347 HG2 PRO 108 2HG PRO 108 2.355 2.356 5.941
348 HG3 PRO 108 1HG PRO 108 1.286 2.804 4.586
349 HD2 PRO 108 2HD PRO 108 1.578 4.064 7.271
350 HD3 PRO 108 1HD PRO 108 1.302 4.780 5.664
351 HA PRO 109 HA PRO 109 -2.236 1.714 10.600
352 HB2 PRO 109 2HB PRO 109 -3.493 -0.663 10.608
353 HB3 PRO 109 1HB PRO 109 -4.272 0.794 9.979
354 HG2 PRO 109 2HG PRO 109 -2.913 -1.422 8.474
355 HG3 PRO 109 1HG PRO 109 -4.452 -0.610 8.123
356 HD2 PRO 109 2HD PRO 109 -2.103 -0.003 6.886
357 HD3 PRO 109 1HD PRO 109 -3.411 1.171 7.124
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -6.773 -21.856 -14.504
2 H2 GLY 1 2HT GLY 1 -6.622 -23.020 -13.279
3 H3 GLY 1 3HT GLY 1 -5.393 -21.873 -13.519
4 HA2 GLY 1 1HA GLY 1 -8.157 -21.324 -12.583
5 HA3 GLY 1 2HA GLY 1 -6.703 -21.280 -11.592
6 H ALA 2 H ALA 2 -8.623 -19.132 -12.110
7 HA ALA 2 HA ALA 2 -7.275 -17.247 -13.830
8 HB1 ALA 2 1HB ALA 2 -9.552 -16.808 -11.904
9 HB2 ALA 2 2HB ALA 2 -9.722 -17.247 -13.602
10 HB3 ALA 2 3HB ALA 2 -9.016 -15.691 -13.160
11 H THR 3 H THR 3 -5.219 -17.501 -12.653
12 HA THR 3 HA THR 3 -4.975 -16.561 -9.971
13 HB THR 3 HB THR 3 -2.726 -16.826 -11.962
14 HG1 THR 3 1HG THR 3 -3.068 -18.912 -12.011
15 HG21 THR 3 3HG2 THR 3 -1.446 -17.460 -9.964
16 HG22 THR 3 1HG2 THR 3 -2.887 -17.228 -8.973
17 HG23 THR 3 2HG2 THR 3 -2.153 -15.853 -9.801
18 H ALA 4 H ALA 4 -5.261 -14.509 -9.474
19 HA ALA 4 HA ALA 4 -3.704 -12.456 -10.833
20 HB1 ALA 4 1HB ALA 4 -5.839 -12.425 -12.030
21 HB2 ALA 4 2HB ALA 4 -5.616 -10.957 -11.080
22 HB3 ALA 4 3HB ALA 4 -6.697 -12.225 -10.501
23 H VAL 5 H VAL 5 -4.026 -10.316 -9.575
24 HA VAL 5 HA VAL 5 -4.404 -10.935 -6.720
25 HB VAL 5 HB VAL 5 -2.735 -9.212 -6.177
26 HG11 VAL 5 1HG1 VAL 5 -1.736 -11.360 -8.036
27 HG12 VAL 5 2HG1 VAL 5 -1.972 -11.488 -6.293
28 HG13 VAL 5 3HG1 VAL 5 -0.726 -10.422 -6.937
29 HG21 VAL 5 3HG2 VAL 5 -3.045 -7.900 -8.290
30 HG22 VAL 5 1HG2 VAL 5 -2.060 -9.116 -9.110
31 HG23 VAL 5 2HG2 VAL 5 -1.364 -8.148 -7.799
32 H SER 6 H SER 6 -4.860 -8.887 -5.421
33 HA SER 6 HA SER 6 -6.999 -7.419 -6.601
34 HG SER 6 HG SER 6 -6.448 -9.083 -4.242
35 HB2 SER 6 2HB SER 6 -5.661 -6.884 -4.001
36 HB3 SER 6 1HB SER 6 -7.271 -6.370 -4.503
37 H GLU 7 H GLU 7 -7.013 -4.965 -6.149
38 HA GLU 7 HA GLU 7 -5.000 -3.970 -7.902
39 HB2 GLU 7 2HB GLU 7 -7.102 -2.465 -6.332
40 HB3 GLU 7 1HB GLU 7 -6.138 -1.812 -7.649
41 HG2 GLU 7 2HG GLU 7 -8.024 -2.304 -8.790
42 HG3 GLU 7 1HG GLU 7 -7.196 -3.849 -8.953
43 H TRP 8 H TRP 8 -3.067 -3.741 -7.227
44 HA TRP 8 HA TRP 8 -2.563 -2.812 -4.465
45 HD1 TRP 8 HD TRP 8 -0.889 -7.069 -6.091
46 HE1 TRP 8 1HE TRP 8 -2.376 -8.727 -4.806
47 HE3 TRP 8 3HE TRP 8 -3.234 -3.798 -3.110
48 HZ2 TRP 8 2HZ TRP 8 -4.337 -8.614 -2.785
49 HZ3 TRP 8 3HZ TRP 8 -4.968 -4.595 -1.613
50 HH2 TRP 8 HH TRP 8 -5.559 -6.905 -1.407
51 HB2 TRP 8 2HB TRP 8 -0.741 -4.486 -6.247
52 HB3 TRP 8 1HB TRP 8 -0.439 -4.050 -4.576
53 H THR 9 H THR 9 -1.985 -0.710 -4.572
54 HA THR 9 HA THR 9 -0.295 0.166 -6.777
55 HB THR 9 HB THR 9 -1.697 1.883 -6.659
56 HG1 THR 9 1HG THR 9 -0.832 3.602 -5.677
57 HG21 THR 9 3HG2 THR 9 -3.191 0.884 -5.015
58 HG22 THR 9 1HG2 THR 9 -2.969 2.599 -4.670
59 HG23 THR 9 2HG2 THR 9 -2.106 1.390 -3.715
60 H GLU 10 H GLU 10 1.330 1.753 -6.222
61 HA GLU 10 HA GLU 10 2.957 0.595 -4.059
62 HB2 GLU 10 2HB GLU 10 4.932 1.125 -5.422
63 HB3 GLU 10 1HB GLU 10 3.817 0.044 -6.242
64 HG2 GLU 10 2HG GLU 10 2.972 1.894 -7.570
65 HG3 GLU 10 1HG GLU 10 4.089 2.991 -6.756
66 H TYR 11 H TYR 11 3.101 1.858 -2.421
67 HA TYR 11 HA TYR 11 3.697 4.711 -2.804
68 HD1 TYR 11 2HD TYR 11 2.422 6.945 -1.892
69 HD2 TYR 11 1HD TYR 11 -0.236 3.737 -2.668
70 HE1 TYR 11 2HE TYR 11 0.940 8.495 -3.053
71 HE2 TYR 11 1HE TYR 11 -1.748 5.271 -3.858
72 HH TYR 11 HH TYR 11 -2.200 7.868 -3.736
73 HB2 TYR 11 2HB TYR 11 1.543 3.423 -1.198
74 HB3 TYR 11 1HB TYR 11 2.358 4.809 -0.491
75 H LYS 12 H LYS 12 5.204 5.525 -1.237
76 HA LYS 12 HA LYS 12 5.817 3.640 0.905
77 HB2 LYS 12 2HB LYS 12 8.237 4.173 0.735
78 HB3 LYS 12 1HB LYS 12 7.623 3.359 -0.694
79 HG2 LYS 12 2HG LYS 12 7.542 5.467 -1.896
80 HG3 LYS 12 1HG LYS 12 8.083 6.327 -0.455
81 HD2 LYS 12 2HD LYS 12 10.181 5.000 -0.498
82 HD3 LYS 12 1HD LYS 12 9.641 4.254 -2.004
83 HE2 LYS 12 2HE LYS 12 10.022 7.221 -1.605
84 HE3 LYS 12 1HE LYS 12 11.221 6.151 -2.325
85 HZ1 LYS 12 3HZ LYS 12 9.695 7.432 -3.876
86 HZ2 LYS 12 1HZ LYS 12 8.484 6.344 -3.416
87 HZ3 LYS 12 2HZ LYS 12 9.885 5.774 -4.177
88 H THR 13 H THR 13 5.957 4.438 2.854
89 HA THR 13 HA THR 13 5.569 7.324 3.095
90 HB THR 13 HB THR 13 4.786 6.794 5.401
91 HG1 THR 13 1HG THR 13 5.261 4.887 6.161
92 HG21 THR 13 3HG2 THR 13 2.680 5.718 4.719
93 HG22 THR 13 1HG2 THR 13 3.413 5.292 3.173
94 HG23 THR 13 2HG2 THR 13 3.170 6.987 3.597
95 H ALA 14 H ALA 14 6.451 8.026 5.470
96 HA ALA 14 HA ALA 14 9.176 8.395 4.956
97 HB1 ALA 14 1HB ALA 14 7.705 8.926 7.527
98 HB2 ALA 14 2HB ALA 14 7.784 10.011 6.138
99 HB3 ALA 14 3HB ALA 14 9.249 9.622 7.037
100 H ASP 15 H ASP 15 7.687 5.769 6.564
101 HA ASP 15 HA ASP 15 9.853 5.204 8.355
102 HB2 ASP 15 2HB ASP 15 7.483 4.397 8.663
103 HB3 ASP 15 1HB ASP 15 7.778 3.240 7.369
104 H GLY 16 H GLY 16 9.474 4.884 5.033
105 HA2 GLY 16 2HA GLY 16 11.018 4.094 3.493
106 HA3 GLY 16 1HA GLY 16 11.965 3.443 4.824
107 H LYS 17 H LYS 17 8.589 2.847 4.104
108 HA LYS 17 HA LYS 17 9.236 0.033 3.525
109 HB2 LYS 17 2HB LYS 17 6.816 1.183 4.925
110 HB3 LYS 17 1HB LYS 17 6.972 -0.494 4.441
111 HG2 LYS 17 2HG LYS 17 8.802 0.905 6.384
112 HG3 LYS 17 1HG LYS 17 7.416 -0.089 6.841
113 HD2 LYS 17 2HD LYS 17 8.475 -1.978 5.577
114 HD3 LYS 17 1HD LYS 17 9.907 -0.961 5.380
115 HE2 LYS 17 2HE LYS 17 8.684 -1.798 8.009
116 HE3 LYS 17 1HE LYS 17 10.116 -2.516 7.275
117 HZ1 LYS 17 3HZ LYS 17 11.236 -0.378 7.458
118 HZ2 LYS 17 1HZ LYS 17 10.705 -0.918 8.973
119 HZ3 LYS 17 2HZ LYS 17 9.855 0.314 8.174
120 H THR 18 H THR 18 8.205 -0.904 1.791
121 HA THR 18 HA THR 18 6.912 0.896 -0.067
122 HB THR 18 HB THR 18 7.465 -2.071 -0.350
123 HG1 THR 18 1HG THR 18 9.394 -1.510 -1.175
124 HG21 THR 18 3HG2 THR 18 7.199 -1.644 -2.757
125 HG22 THR 18 1HG2 THR 18 6.777 0.034 -2.410
126 HG23 THR 18 2HG2 THR 18 5.722 -1.272 -1.870
127 H TYR 19 H TYR 19 5.105 1.382 1.089
128 HA TYR 19 HA TYR 19 3.283 -0.657 2.003
129 HD1 TYR 19 1HD TYR 19 0.621 0.066 2.429
130 HD2 TYR 19 2HD TYR 19 2.233 4.016 2.898
131 HE1 TYR 19 1HE TYR 19 -1.635 1.004 2.532
132 HE2 TYR 19 2HE TYR 19 0.052 4.876 2.960
133 HH TYR 19 HH TYR 19 -2.780 2.976 3.315
134 HB2 TYR 19 2HB TYR 19 3.268 1.014 3.547
135 HB3 TYR 19 1HB TYR 19 3.707 2.245 2.381
136 H TYR 20 H TYR 20 1.517 -1.318 0.983
137 HA TYR 20 HA TYR 20 0.954 -0.152 -1.665
138 HD1 TYR 20 2HD TYR 20 2.422 -3.491 0.308
139 HD2 TYR 20 1HD TYR 20 1.632 -2.486 -3.782
140 HE1 TYR 20 2HE TYR 20 4.504 -4.564 -0.379
141 HE2 TYR 20 1HE TYR 20 3.732 -3.564 -4.448
142 HH TYR 20 HH TYR 20 5.504 -5.574 -2.380
143 HB2 TYR 20 2HB TYR 20 0.060 -2.849 -0.561
144 HB3 TYR 20 1HB TYR 20 -0.101 -2.275 -2.210
145 H TYR 21 H TYR 21 -1.225 0.444 -2.142
146 HA TYR 21 HA TYR 21 -2.984 0.441 0.218
147 HD1 TYR 21 2HD TYR 21 -5.404 2.085 -2.481
148 HD2 TYR 21 1HD TYR 21 -3.924 3.401 1.311
149 HE1 TYR 21 2HE TYR 21 -7.645 2.884 -1.875
150 HE2 TYR 21 1HE TYR 21 -6.169 4.180 1.904
151 HH TYR 21 HH TYR 21 -8.950 3.383 0.116
152 HB2 TYR 21 2HB TYR 21 -2.379 2.726 -0.486
153 HB3 TYR 21 1HB TYR 21 -2.976 2.396 -2.105
154 H ASN 22 H ASN 22 -4.222 -1.159 0.072
155 HA ASN 22 HA ASN 22 -4.859 -2.635 -2.220
156 HB2 ASN 22 2HB ASN 22 -4.834 -3.687 -0.088
157 HB3 ASN 22 1HB ASN 22 -5.916 -2.502 0.610
158 HD21 ASN 22 1HD2 ASN 22 -5.936 -5.447 0.484
159 HD22 ASN 22 2HD2 ASN 22 -7.486 -5.869 -0.147
160 H ASN 23 H ASN 23 -5.964 -1.713 -3.849
161 HA ASN 23 HA ASN 23 -8.230 0.011 -3.315
162 HB2 ASN 23 2HB ASN 23 -6.942 -0.936 -5.870
163 HB3 ASN 23 1HB ASN 23 -8.425 0.008 -5.852
164 HD21 ASN 23 1HD2 ASN 23 -5.847 0.657 -6.995
165 HD22 ASN 23 2HD2 ASN 23 -5.340 2.126 -6.230
166 H ARG 24 H ARG 24 -7.798 -3.222 -3.232
167 HA ARG 24 HA ARG 24 -9.911 -4.291 -4.705
168 HE ARG 24 HE ARG 24 -11.536 -8.649 -2.963
169 HB2 ARG 24 2HB ARG 24 -8.224 -5.735 -3.716
170 HB3 ARG 24 1HB ARG 24 -8.804 -5.320 -2.105
171 HG2 ARG 24 2HG ARG 24 -11.004 -6.285 -2.685
172 HG3 ARG 24 1HG ARG 24 -10.355 -6.773 -4.247
173 HD2 ARG 24 2HD ARG 24 -8.770 -8.244 -3.164
174 HD3 ARG 24 1HD ARG 24 -9.299 -7.690 -1.575
175 HH11 ARG 24 1HH1 ARG 24 -8.539 -9.922 -1.682
176 HH12 ARG 24 2HH1 ARG 24 -9.222 -11.463 -1.264
177 HH21 ARG 24 1HH2 ARG 24 -12.439 -10.668 -2.424
178 HH22 ARG 24 2HH2 ARG 24 -11.450 -11.893 -1.692
179 H THR 25 H THR 25 -9.914 -4.090 -1.183
180 HA THR 25 HA THR 25 -12.785 -3.537 -1.219
181 HB THR 25 HB THR 25 -12.226 -5.522 0.019
182 HG1 THR 25 1HG THR 25 -13.041 -3.253 1.501
183 HG21 THR 25 3HG2 THR 25 -10.397 -3.730 1.580
184 HG22 THR 25 1HG2 THR 25 -9.914 -4.980 0.442
185 HG23 THR 25 2HG2 THR 25 -10.726 -5.425 1.945
186 H LEU 26 H LEU 26 -10.283 -1.701 -1.413
187 HA LEU 26 HA LEU 26 -9.488 0.263 -0.652
188 HG LEU 26 HG LEU 26 -12.220 0.706 -1.825
189 HB2 LEU 26 2HB LEU 26 -12.214 0.425 0.619
190 HB3 LEU 26 1HB LEU 26 -11.025 1.703 0.763
191 HD11 LEU 26 1HD1 LEU 26 -13.796 1.980 -0.445
192 HD12 LEU 26 2HD1 LEU 26 -13.335 2.865 -1.898
193 HD13 LEU 26 3HD1 LEU 26 -12.627 3.299 -0.343
194 HD21 LEU 26 3HD2 LEU 26 -9.920 1.455 -2.111
195 HD22 LEU 26 1HD2 LEU 26 -10.298 2.965 -1.285
196 HD23 LEU 26 2HD2 LEU 26 -11.048 2.600 -2.838
197 H GLU 27 H GLU 27 -8.116 -1.312 0.376
198 HA GLU 27 HA GLU 27 -8.184 -1.153 3.319
199 HB2 GLU 27 2HB GLU 27 -8.586 -3.463 2.493
200 HB3 GLU 27 1HB GLU 27 -7.142 -3.360 1.517
201 HG2 GLU 27 2HG GLU 27 -6.863 -4.714 3.540
202 HG3 GLU 27 1HG GLU 27 -5.739 -3.353 3.437
203 H SER 28 H SER 28 -5.911 -1.296 4.231
204 HA SER 28 HA SER 28 -3.924 -0.280 2.317
205 HG SER 28 HG SER 28 -4.895 1.693 3.229
206 HB2 SER 28 2HB SER 28 -4.417 0.336 5.177
207 HB3 SER 28 1HB SER 28 -2.767 0.417 4.598
208 H THR 29 H THR 29 -1.808 -1.125 2.470
209 HA THR 29 HA THR 29 -1.494 -3.570 4.046
210 HB THR 29 HB THR 29 -0.292 -4.477 1.896
211 HG1 THR 29 1HG THR 29 -1.029 -2.270 0.888
212 HG21 THR 29 3HG2 THR 29 -2.157 -5.540 2.914
213 HG22 THR 29 1HG2 THR 29 -2.444 -5.469 1.163
214 HG23 THR 29 2HG2 THR 29 -3.267 -4.334 2.247
215 H TRP 30 H TRP 30 0.285 -3.456 5.142
216 HA TRP 30 HA TRP 30 2.067 -1.246 4.747
217 HD1 TRP 30 HD TRP 30 0.518 -1.733 8.479
218 HE1 TRP 30 1HE TRP 30 0.904 0.651 9.376
219 HE3 TRP 30 3HE TRP 30 4.608 -0.476 5.676
220 HZ2 TRP 30 2HZ TRP 30 2.685 2.816 8.893
221 HZ3 TRP 30 3HZ TRP 30 5.602 1.762 5.967
222 HH2 TRP 30 HH TRP 30 4.665 3.357 7.558
223 HB2 TRP 30 2HB TRP 30 1.708 -3.292 6.818
224 HB3 TRP 30 1HB TRP 30 3.401 -2.896 6.525
225 H GLU 31 H GLU 31 2.535 -4.744 4.641
226 HA GLU 31 HA GLU 31 4.596 -4.259 2.614
227 HB2 GLU 31 2HB GLU 31 4.187 -6.481 4.564
228 HB3 GLU 31 1HB GLU 31 5.089 -6.753 3.083
229 HG2 GLU 31 2HG GLU 31 6.502 -4.797 3.707
230 HG3 GLU 31 1HG GLU 31 5.717 -4.828 5.290
231 H LYS 32 H LYS 32 4.714 -6.456 1.262
232 HA LYS 32 HA LYS 32 2.790 -6.616 -0.606
233 HB2 LYS 32 2HB LYS 32 3.586 -8.985 -0.945
234 HB3 LYS 32 1HB LYS 32 4.857 -7.769 -0.885
235 HG2 LYS 32 2HG LYS 32 5.352 -8.357 1.414
236 HG3 LYS 32 1HG LYS 32 4.027 -9.521 1.421
237 HD2 LYS 32 2HD LYS 32 5.186 -10.760 -0.392
238 HD3 LYS 32 1HD LYS 32 6.543 -9.643 -0.233
239 HE2 LYS 32 2HE LYS 32 6.952 -10.344 2.005
240 HE3 LYS 32 1HE LYS 32 5.468 -11.292 2.043
241 HZ1 LYS 32 3HZ LYS 32 6.421 -12.694 0.272
242 HZ2 LYS 32 1HZ LYS 32 7.318 -12.744 1.719
243 HZ3 LYS 32 2HZ LYS 32 7.876 -11.833 0.407
244 HA PRO 33 HA PRO 33 -0.943 -8.243 1.389
245 HB2 PRO 33 2HB PRO 33 -1.911 -8.896 -1.181
246 HB3 PRO 33 1HB PRO 33 -2.291 -7.446 -0.259
247 HG2 PRO 33 2HG PRO 33 -0.326 -7.842 -2.439
248 HG3 PRO 33 1HG PRO 33 -1.278 -6.406 -2.021
249 HD2 PRO 33 2HD PRO 33 1.336 -6.558 -1.478
250 HD3 PRO 33 1HD PRO 33 0.207 -5.754 -0.365
251 H GLN 34 H GLN 34 -2.102 -10.336 1.159
252 HA GLN 34 HA GLN 34 -0.264 -12.461 1.392
253 HB2 GLN 34 2HB GLN 34 -3.255 -12.690 1.073
254 HB3 GLN 34 1HB GLN 34 -2.176 -13.858 1.817
255 HG2 GLN 34 2HG GLN 34 -1.680 -12.260 3.601
256 HG3 GLN 34 1HG GLN 34 -2.782 -11.105 2.854
257 HE21 GLN 34 1HE2 GLN 34 -3.310 -14.562 3.053
258 HE22 GLN 34 2HE2 GLN 34 -4.662 -14.480 4.128
259 H GLU 35 H GLU 35 -1.896 -11.172 -1.330
260 HA GLU 35 HA GLU 35 -1.654 -13.595 -2.920
261 HB2 GLU 35 2HB GLU 35 -2.422 -10.812 -3.802
262 HB3 GLU 35 1HB GLU 35 -2.638 -12.297 -4.711
263 HG2 GLU 35 2HG GLU 35 -4.240 -13.083 -3.044
264 HG3 GLU 35 1HG GLU 35 -4.037 -11.581 -2.142
265 H LEU 36 H LEU 36 0.178 -10.799 -2.156
266 HA LEU 36 HA LEU 36 1.683 -10.910 -4.645
267 HG LEU 36 HG LEU 36 0.252 -8.681 -4.896
268 HB2 LEU 36 2HB LEU 36 1.086 -8.882 -2.628
269 HB3 LEU 36 1HB LEU 36 2.741 -8.832 -3.202
270 HD11 LEU 36 1HD1 LEU 36 2.222 -6.525 -4.139
271 HD12 LEU 36 2HD1 LEU 36 0.563 -6.678 -3.531
272 HD13 LEU 36 3HD1 LEU 36 0.852 -6.362 -5.248
273 HD21 LEU 36 3HD2 LEU 36 2.120 -9.734 -6.016
274 HD22 LEU 36 1HD2 LEU 36 3.145 -8.367 -5.602
275 HD23 LEU 36 2HD2 LEU 36 1.781 -8.142 -6.698
276 H LYS 37 H LYS 37 2.645 -12.951 -4.079
277 HA LYS 37 HA LYS 37 4.536 -14.127 -3.748
278 HB2 LYS 37 2HB LYS 37 5.673 -11.392 -3.200
279 HB3 LYS 37 1HB LYS 37 6.648 -12.856 -3.261
280 HG2 LYS 37 2HG LYS 37 5.004 -11.698 -5.499
281 HG3 LYS 37 1HG LYS 37 6.766 -11.718 -5.379
282 HD2 LYS 37 2HD LYS 37 6.747 -14.162 -5.447
283 HD3 LYS 37 1HD LYS 37 4.986 -14.155 -5.544
284 HE2 LYS 37 2HE LYS 37 5.128 -12.936 -7.674
285 HE3 LYS 37 1HE LYS 37 6.887 -12.993 -7.578
286 HZ1 LYS 37 3HZ LYS 37 5.049 -15.310 -7.824
287 HZ2 LYS 37 1HZ LYS 37 6.718 -15.441 -7.558
288 HZ3 LYS 37 2HZ LYS 37 6.139 -14.744 -8.993
289 H1 GLY 101 1HT GLY 101 -0.284 17.627 -9.334
290 H2 GLY 101 2HT GLY 101 0.076 19.128 -8.626
291 H3 GLY 101 3HT GLY 101 -0.750 17.947 -7.737
292 HA2 GLY 101 1HA GLY 101 2.022 17.654 -8.747
293 HA3 GLY 101 2HA GLY 101 1.602 18.127 -7.105
294 HA PRO 102 HA PRO 102 1.733 13.521 -7.084
295 HB2 PRO 102 2HB PRO 102 3.369 13.239 -4.962
296 HB3 PRO 102 1HB PRO 102 3.997 13.510 -6.592
297 HG2 PRO 102 2HG PRO 102 3.655 15.460 -4.346
298 HG3 PRO 102 1HG PRO 102 5.000 15.290 -5.488
299 HD2 PRO 102 2HD PRO 102 3.013 17.162 -5.730
300 HD3 PRO 102 1HD PRO 102 3.941 16.524 -7.102
301 HA PRO 103 HA PRO 103 -1.349 13.531 -3.867
302 HB2 PRO 103 2HB PRO 103 -1.723 10.871 -3.618
303 HB3 PRO 103 1HB PRO 103 -2.298 11.773 -5.023
304 HG2 PRO 103 2HG PRO 103 0.121 10.053 -4.727
305 HG3 PRO 103 1HG PRO 103 -0.984 10.199 -6.105
306 HD2 PRO 103 2HD PRO 103 1.470 11.418 -5.955
307 HD3 PRO 103 1HD PRO 103 0.123 12.017 -6.943
308 H LEU 104 H LEU 104 -1.407 13.395 -1.633
309 HA LEU 104 HA LEU 104 0.879 12.325 -0.247
310 HG LEU 104 HG LEU 104 1.112 14.420 1.028
311 HB2 LEU 104 2HB LEU 104 -1.739 13.494 0.689
312 HB3 LEU 104 1HB LEU 104 -0.615 12.751 1.806
313 HD11 LEU 104 1HD1 LEU 104 0.261 16.484 -0.003
314 HD12 LEU 104 2HD1 LEU 104 -1.294 15.691 -0.263
315 HD13 LEU 104 3HD1 LEU 104 0.152 15.087 -1.072
316 HD21 LEU 104 3HD2 LEU 104 -1.384 15.513 2.312
317 HD22 LEU 104 1HD2 LEU 104 0.231 16.217 2.409
318 HD23 LEU 104 2HD2 LEU 104 -0.091 14.644 3.138
319 H ILE 105 H ILE 105 0.926 10.462 0.991
320 HA ILE 105 HA ILE 105 -0.874 8.406 0.115
321 HB ILE 105 HB ILE 105 1.212 7.876 2.235
322 HG12 ILE 105 2HG1 ILE 105 1.690 8.403 -0.716
323 HG13 ILE 105 1HG1 ILE 105 2.322 9.355 0.613
324 HG21 ILE 105 1HG2 ILE 105 1.426 5.802 1.016
325 HG22 ILE 105 2HG2 ILE 105 0.250 6.357 -0.178
326 HG23 ILE 105 3HG2 ILE 105 -0.246 6.088 1.494
327 HD11 ILE 105 3HD1 ILE 105 3.632 7.402 1.337
328 HD12 ILE 105 1HD1 ILE 105 4.034 7.965 -0.287
329 HD13 ILE 105 2HD1 ILE 105 3.036 6.528 -0.079
330 HA PRO 106 HA PRO 106 -3.341 8.299 3.901
331 HB2 PRO 106 2HB PRO 106 -3.729 5.458 3.233
332 HB3 PRO 106 1HB PRO 106 -4.945 6.716 3.344
333 HG2 PRO 106 2HG PRO 106 -4.260 5.620 0.999
334 HG3 PRO 106 1HG PRO 106 -4.719 7.328 1.132
335 HD2 PRO 106 2HD PRO 106 -1.999 6.111 0.917
336 HD3 PRO 106 1HD PRO 106 -2.642 7.575 0.146
337 HA PRO 107 HA PRO 107 -0.134 6.057 6.112
338 HB2 PRO 107 2HB PRO 107 -1.716 5.938 8.538
339 HB3 PRO 107 1HB PRO 107 -0.307 6.946 8.200
340 HG2 PRO 107 2HG PRO 107 -2.864 7.917 8.515
341 HG3 PRO 107 1HG PRO 107 -1.588 8.745 7.608
342 HD2 PRO 107 2HD PRO 107 -3.883 7.120 6.608
343 HD3 PRO 107 1HD PRO 107 -3.136 8.573 5.909
344 HA PRO 108 HA PRO 108 -1.992 1.983 6.111
345 HB2 PRO 108 2HB PRO 108 0.468 0.738 6.812
346 HB3 PRO 108 1HB PRO 108 -0.254 0.872 5.197
347 HG2 PRO 108 2HG PRO 108 2.082 2.126 6.039
348 HG3 PRO 108 1HG PRO 108 1.125 2.565 4.609
349 HD2 PRO 108 2HD PRO 108 1.250 3.860 7.277
350 HD3 PRO 108 1HD PRO 108 0.999 4.539 5.650
351 HA PRO 109 HA PRO 109 -2.659 1.233 10.431
352 HB2 PRO 109 2HB PRO 109 -3.876 -1.190 10.193
353 HB3 PRO 109 1HB PRO 109 -4.678 0.336 9.798
354 HG2 PRO 109 2HG PRO 109 -3.448 -1.687 7.964
355 HG3 PRO 109 1HG PRO 109 -4.916 -0.717 7.757
356 HD2 PRO 109 2HD PRO 109 -2.505 -0.166 6.599
357 HD3 PRO 109 1HD PRO 109 -3.753 1.048 6.926
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -10.040 -22.524 -15.621
2 H2 GLY 1 2HT GLY 1 -8.383 -22.410 -15.275
3 H3 GLY 1 3HT GLY 1 -9.087 -21.358 -16.404
4 HA2 GLY 1 1HA GLY 1 -10.444 -20.363 -14.664
5 HA3 GLY 1 2HA GLY 1 -9.672 -21.428 -13.499
6 H ALA 2 H ALA 2 -9.674 -18.379 -14.616
7 HA ALA 2 HA ALA 2 -6.788 -18.000 -14.137
8 HB1 ALA 2 1HB ALA 2 -7.058 -15.838 -15.263
9 HB2 ALA 2 2HB ALA 2 -8.770 -16.188 -15.508
10 HB3 ALA 2 3HB ALA 2 -7.543 -17.180 -16.299
11 H THR 3 H THR 3 -6.185 -16.125 -12.827
12 HA THR 3 HA THR 3 -8.298 -15.318 -10.947
13 HB THR 3 HB THR 3 -6.905 -17.141 -9.964
14 HG1 THR 3 1HG THR 3 -7.775 -15.827 -8.443
15 HG21 THR 3 3HG2 THR 3 -4.774 -16.637 -11.038
16 HG22 THR 3 1HG2 THR 3 -4.595 -16.637 -9.283
17 HG23 THR 3 2HG2 THR 3 -4.677 -15.110 -10.160
18 H ALA 4 H ALA 4 -8.012 -13.268 -9.980
19 HA ALA 4 HA ALA 4 -5.854 -11.628 -11.103
20 HB1 ALA 4 1HB ALA 4 -7.932 -11.205 -12.360
21 HB2 ALA 4 2HB ALA 4 -7.393 -9.787 -11.462
22 HB3 ALA 4 3HB ALA 4 -8.735 -10.757 -10.856
23 H VAL 5 H VAL 5 -4.920 -10.223 -9.690
24 HA VAL 5 HA VAL 5 -5.648 -10.529 -6.897
25 HB VAL 5 HB VAL 5 -3.585 -9.343 -6.380
26 HG11 VAL 5 1HG1 VAL 5 -3.196 -11.403 -8.545
27 HG12 VAL 5 2HG1 VAL 5 -3.452 -11.725 -6.831
28 HG13 VAL 5 3HG1 VAL 5 -1.980 -10.913 -7.362
29 HG21 VAL 5 3HG2 VAL 5 -3.694 -7.751 -8.301
30 HG22 VAL 5 1HG2 VAL 5 -3.128 -9.054 -9.348
31 HG23 VAL 5 2HG2 VAL 5 -2.096 -8.460 -8.034
32 H SER 6 H SER 6 -5.372 -8.359 -5.574
33 HA SER 6 HA SER 6 -7.349 -6.536 -6.562
34 HG SER 6 HG SER 6 -7.669 -8.060 -4.740
35 HB2 SER 6 2HB SER 6 -5.728 -6.415 -4.049
36 HB3 SER 6 1HB SER 6 -7.139 -5.421 -4.420
37 H GLU 7 H GLU 7 -6.953 -4.161 -6.373
38 HA GLU 7 HA GLU 7 -4.711 -3.616 -8.052
39 HB2 GLU 7 2HB GLU 7 -6.616 -1.665 -6.732
40 HB3 GLU 7 1HB GLU 7 -5.498 -1.299 -8.043
41 HG2 GLU 7 2HG GLU 7 -6.762 -3.156 -9.321
42 HG3 GLU 7 1HG GLU 7 -8.011 -2.916 -8.105
43 H TRP 8 H TRP 8 -2.846 -3.583 -7.300
44 HA TRP 8 HA TRP 8 -2.333 -2.770 -4.511
45 HD1 TRP 8 HD TRP 8 -1.102 -7.004 -6.507
46 HE1 TRP 8 1HE TRP 8 -2.612 -8.701 -5.304
47 HE3 TRP 8 3HE TRP 8 -3.016 -3.974 -2.946
48 HZ2 TRP 8 2HZ TRP 8 -4.409 -8.735 -3.136
49 HZ3 TRP 8 3HZ TRP 8 -4.679 -4.874 -1.400
50 HH2 TRP 8 HH TRP 8 -5.368 -7.181 -1.439
51 HB2 TRP 8 2HB TRP 8 -0.607 -4.517 -6.294
52 HB3 TRP 8 1HB TRP 8 -0.356 -4.200 -4.592
53 H THR 9 H THR 9 -1.745 -0.638 -4.687
54 HA THR 9 HA THR 9 0.225 0.065 -6.720
55 HB THR 9 HB THR 9 -1.276 1.755 -6.796
56 HG1 THR 9 1HG THR 9 0.050 3.110 -4.801
57 HG21 THR 9 3HG2 THR 9 -2.703 1.069 -4.942
58 HG22 THR 9 1HG2 THR 9 -2.412 2.808 -4.880
59 HG23 THR 9 2HG2 THR 9 -1.527 1.726 -3.798
60 H GLU 10 H GLU 10 1.730 1.655 -6.101
61 HA GLU 10 HA GLU 10 3.199 0.723 -3.701
62 HB2 GLU 10 2HB GLU 10 4.350 2.150 -6.102
63 HB3 GLU 10 1HB GLU 10 5.252 1.424 -4.780
64 HG2 GLU 10 2HG GLU 10 4.468 -0.791 -5.483
65 HG3 GLU 10 1HG GLU 10 3.592 -0.045 -6.819
66 H TYR 11 H TYR 11 2.636 2.042 -2.148
67 HA TYR 11 HA TYR 11 2.712 4.935 -2.653
68 HD1 TYR 11 1HD TYR 11 1.913 6.774 -1.743
69 HD2 TYR 11 2HD TYR 11 -1.461 4.338 -2.586
70 HE1 TYR 11 1HE TYR 11 0.740 8.743 -2.623
71 HE2 TYR 11 2HE TYR 11 -2.652 6.288 -3.493
72 HH TYR 11 HH TYR 11 -1.109 9.227 -4.187
73 HB2 TYR 11 2HB TYR 11 0.509 3.341 -1.832
74 HB3 TYR 11 1HB TYR 11 1.000 4.311 -0.447
75 H LYS 12 H LYS 12 4.772 5.171 -1.887
76 HA LYS 12 HA LYS 12 5.481 3.924 0.646
77 HB2 LYS 12 2HB LYS 12 7.134 5.539 -1.317
78 HB3 LYS 12 1HB LYS 12 7.769 4.730 0.109
79 HG2 LYS 12 2HG LYS 12 7.289 2.585 -0.793
80 HG3 LYS 12 1HG LYS 12 6.358 3.285 -2.114
81 HD2 LYS 12 2HD LYS 12 9.234 4.015 -1.788
82 HD3 LYS 12 1HD LYS 12 8.807 2.467 -2.514
83 HE2 LYS 12 2HE LYS 12 9.095 4.044 -4.286
84 HE3 LYS 12 1HE LYS 12 7.377 3.701 -4.142
85 HZ1 LYS 12 3HZ LYS 12 8.746 6.105 -3.053
86 HZ2 LYS 12 1HZ LYS 12 7.083 5.785 -2.962
87 HZ3 LYS 12 2HZ LYS 12 7.807 6.060 -4.465
88 H THR 13 H THR 13 5.338 4.932 2.485
89 HA THR 13 HA THR 13 4.532 7.671 2.619
90 HB THR 13 HB THR 13 4.494 7.317 5.060
91 HG1 THR 13 1HG THR 13 5.503 5.654 5.956
92 HG21 THR 13 3HG2 THR 13 2.575 6.636 3.687
93 HG22 THR 13 1HG2 THR 13 2.760 5.615 5.115
94 HG23 THR 13 2HG2 THR 13 3.271 5.023 3.533
95 H ALA 14 H ALA 14 5.695 8.959 4.513
96 HA ALA 14 HA ALA 14 8.238 9.645 3.448
97 HB1 ALA 14 1HB ALA 14 6.664 11.293 4.362
98 HB2 ALA 14 2HB ALA 14 8.251 11.389 5.125
99 HB3 ALA 14 3HB ALA 14 6.910 10.619 5.973
100 H ASP 15 H ASP 15 7.467 7.117 5.341
101 HA ASP 15 HA ASP 15 9.672 7.258 7.215
102 HB2 ASP 15 2HB ASP 15 7.903 4.896 6.557
103 HB3 ASP 15 1HB ASP 15 8.909 5.097 7.989
104 H GLY 16 H GLY 16 9.326 6.520 3.986
105 HA2 GLY 16 2HA GLY 16 10.855 5.671 2.472
106 HA3 GLY 16 1HA GLY 16 11.963 5.400 3.813
107 H LYS 17 H LYS 17 8.690 4.167 3.315
108 HA LYS 17 HA LYS 17 9.772 1.443 3.126
109 HB2 LYS 17 2HB LYS 17 8.980 1.993 5.465
110 HB3 LYS 17 1HB LYS 17 7.370 2.213 4.797
111 HG2 LYS 17 2HG LYS 17 7.542 0.036 5.788
112 HG3 LYS 17 1HG LYS 17 7.402 -0.136 4.036
113 HD2 LYS 17 2HD LYS 17 9.811 -0.464 3.857
114 HD3 LYS 17 1HD LYS 17 9.986 -0.231 5.598
115 HE2 LYS 17 2HE LYS 17 8.648 -2.217 6.016
116 HE3 LYS 17 1HE LYS 17 8.402 -2.437 4.283
117 HZ1 LYS 17 3HZ LYS 17 10.152 -3.871 5.185
118 HZ2 LYS 17 1HZ LYS 17 11.040 -2.501 5.646
119 HZ3 LYS 17 2HZ LYS 17 10.747 -2.810 4.004
120 H THR 18 H THR 18 8.568 0.071 1.781
121 HA THR 18 HA THR 18 6.878 1.505 -0.089
122 HB THR 18 HB THR 18 7.768 -1.382 -0.215
123 HG1 THR 18 1HG THR 18 9.497 0.241 -0.175
124 HG21 THR 18 3HG2 THR 18 5.856 -0.854 -1.655
125 HG22 THR 18 1HG2 THR 18 7.305 -1.136 -2.621
126 HG23 THR 18 2HG2 THR 18 6.739 0.511 -2.338
127 H TYR 19 H TYR 19 5.012 1.842 1.010
128 HA TYR 19 HA TYR 19 3.540 -0.449 2.045
129 HD1 TYR 19 2HD TYR 19 0.730 0.052 2.598
130 HD2 TYR 19 1HD TYR 19 2.077 4.099 2.940
131 HE1 TYR 19 2HE TYR 19 -1.598 0.820 2.711
132 HE2 TYR 19 1HE TYR 19 -0.178 4.815 3.072
133 HH TYR 19 HH TYR 19 -2.851 2.740 3.529
134 HB2 TYR 19 2HB TYR 19 3.288 1.130 3.649
135 HB3 TYR 19 1HB TYR 19 3.662 2.442 2.553
136 H TYR 20 H TYR 20 1.588 -1.133 1.192
137 HA TYR 20 HA TYR 20 1.011 -0.075 -1.498
138 HD1 TYR 20 2HD TYR 20 2.650 -3.055 0.486
139 HD2 TYR 20 1HD TYR 20 1.530 -2.692 -3.611
140 HE1 TYR 20 2HE TYR 20 4.752 -4.093 -0.179
141 HE2 TYR 20 1HE TYR 20 3.642 -3.741 -4.285
142 HH TYR 20 HH TYR 20 5.881 -4.080 -3.412
143 HB2 TYR 20 2HB TYR 20 0.180 -2.755 -0.337
144 HB3 TYR 20 1HB TYR 20 -0.042 -2.215 -1.989
145 H TYR 21 H TYR 21 -1.012 0.733 -1.932
146 HA TYR 21 HA TYR 21 -2.974 0.534 0.256
147 HD1 TYR 21 1HD TYR 21 -5.163 2.447 -2.439
148 HD2 TYR 21 2HD TYR 21 -3.940 3.344 1.561
149 HE1 TYR 21 1HE TYR 21 -7.447 3.185 -1.902
150 HE2 TYR 21 2HE TYR 21 -6.222 4.068 2.082
151 HH TYR 21 HH TYR 21 -8.212 4.919 0.883
152 HB2 TYR 21 2HB TYR 21 -2.286 2.868 -0.147
153 HB3 TYR 21 1HB TYR 21 -2.752 2.718 -1.837
154 H ASN 22 H ASN 22 -4.732 -0.515 -0.153
155 HA ASN 22 HA ASN 22 -4.846 -1.851 -2.738
156 HB2 ASN 22 2HB ASN 22 -6.539 -2.492 -0.339
157 HB3 ASN 22 1HB ASN 22 -6.027 -3.563 -1.636
158 HD21 ASN 22 1HD2 ASN 22 -3.237 -2.544 -1.467
159 HD22 ASN 22 2HD2 ASN 22 -2.567 -3.293 -0.056
160 H ASN 23 H ASN 23 -6.303 -1.212 -4.228
161 HA ASN 23 HA ASN 23 -8.595 0.363 -3.388
162 HB2 ASN 23 2HB ASN 23 -7.234 0.796 -5.520
163 HB3 ASN 23 1HB ASN 23 -8.041 -0.616 -6.192
164 HD21 ASN 23 1HD2 ASN 23 -9.134 0.526 -7.761
165 HD22 ASN 23 2HD2 ASN 23 -10.428 1.624 -7.387
166 H ARG 24 H ARG 24 -8.041 -2.548 -2.809
167 HA ARG 24 HA ARG 24 -9.891 -4.231 -4.073
168 HE ARG 24 HE ARG 24 -9.765 -8.743 -1.772
169 HB2 ARG 24 2HB ARG 24 -7.983 -4.951 -2.648
170 HB3 ARG 24 1HB ARG 24 -8.828 -4.337 -1.242
171 HG2 ARG 24 2HG ARG 24 -10.602 -6.000 -1.600
172 HG3 ARG 24 1HG ARG 24 -9.704 -6.633 -2.985
173 HD2 ARG 24 2HD ARG 24 -7.769 -7.029 -1.450
174 HD3 ARG 24 1HD ARG 24 -8.809 -6.570 -0.107
175 HH11 ARG 24 1HH1 ARG 24 -8.125 -7.738 1.142
176 HH12 ARG 24 2HH1 ARG 24 -8.249 -9.284 1.915
177 HH21 ARG 24 1HH2 ARG 24 -9.957 -10.797 -0.767
178 HH22 ARG 24 2HH2 ARG 24 -9.325 -11.019 0.839
179 H THR 25 H THR 25 -10.300 -3.722 -0.650
180 HA THR 25 HA THR 25 -13.038 -2.776 -1.025
181 HB THR 25 HB THR 25 -12.670 -4.791 0.412
182 HG1 THR 25 1HG THR 25 -14.386 -3.023 0.730
183 HG21 THR 25 3HG2 THR 25 -11.305 -2.761 2.144
184 HG22 THR 25 1HG2 THR 25 -10.553 -4.136 1.350
185 HG23 THR 25 2HG2 THR 25 -11.724 -4.400 2.643
186 H LEU 26 H LEU 26 -10.494 -1.266 -1.339
187 HA LEU 26 HA LEU 26 -9.352 0.567 -0.696
188 HG LEU 26 HG LEU 26 -12.152 1.359 -1.551
189 HB2 LEU 26 2HB LEU 26 -11.861 1.128 0.881
190 HB3 LEU 26 1HB LEU 26 -10.494 2.225 0.822
191 HD11 LEU 26 1HD1 LEU 26 -13.353 2.872 -0.054
192 HD12 LEU 26 2HD1 LEU 26 -12.938 3.662 -1.575
193 HD13 LEU 26 3HD1 LEU 26 -12.006 4.007 -0.118
194 HD21 LEU 26 3HD2 LEU 26 -9.829 1.786 -2.162
195 HD22 LEU 26 1HD2 LEU 26 -9.896 3.352 -1.355
196 HD23 LEU 26 2HD2 LEU 26 -10.887 3.053 -2.784
197 H GLU 27 H GLU 27 -7.968 -1.001 0.212
198 HA GLU 27 HA GLU 27 -8.009 -1.168 3.152
199 HB2 GLU 27 2HB GLU 27 -8.525 -3.341 1.960
200 HB3 GLU 27 1HB GLU 27 -6.942 -3.237 1.212
201 HG2 GLU 27 2HG GLU 27 -7.062 -4.754 3.176
202 HG3 GLU 27 1HG GLU 27 -5.826 -3.493 3.278
203 H SER 28 H SER 28 -5.850 -1.441 4.111
204 HA SER 28 HA SER 28 -3.697 -0.410 2.390
205 HG SER 28 HG SER 28 -4.874 1.485 3.338
206 HB2 SER 28 2HB SER 28 -4.333 0.077 5.273
207 HB3 SER 28 1HB SER 28 -2.694 0.302 4.679
208 H THR 29 H THR 29 -1.694 -1.355 2.518
209 HA THR 29 HA THR 29 -1.340 -3.728 4.213
210 HB THR 29 HB THR 29 -0.073 -4.679 2.139
211 HG1 THR 29 1HG THR 29 -0.856 -2.480 1.078
212 HG21 THR 29 3HG2 THR 29 -2.137 -5.748 1.316
213 HG22 THR 29 1HG2 THR 29 -3.072 -4.601 2.279
214 HG23 THR 29 2HG2 THR 29 -1.998 -5.754 3.079
215 H TRP 30 H TRP 30 0.695 -3.835 5.072
216 HA TRP 30 HA TRP 30 2.273 -1.470 4.679
217 HD1 TRP 30 HD TRP 30 0.662 -2.092 8.174
218 HE1 TRP 30 1HE TRP 30 0.878 0.276 9.173
219 HE3 TRP 30 3HE TRP 30 4.965 -0.624 5.836
220 HZ2 TRP 30 2HZ TRP 30 2.616 2.520 8.911
221 HZ3 TRP 30 3HZ TRP 30 5.838 1.634 6.258
222 HH2 TRP 30 HH TRP 30 4.693 3.168 7.781
223 HB2 TRP 30 2HB TRP 30 2.209 -3.611 6.681
224 HB3 TRP 30 1HB TRP 30 3.827 -2.991 6.327
225 H GLU 31 H GLU 31 3.253 -4.926 4.485
226 HA GLU 31 HA GLU 31 4.883 -4.055 2.208
227 HB2 GLU 31 2HB GLU 31 6.396 -5.752 2.544
228 HB3 GLU 31 1HB GLU 31 6.046 -5.188 4.170
229 HG2 GLU 31 2HG GLU 31 5.296 -7.179 4.803
230 HG3 GLU 31 1HG GLU 31 4.311 -7.365 3.349
231 H LYS 32 H LYS 32 5.309 -6.463 1.023
232 HA LYS 32 HA LYS 32 3.320 -6.540 -0.875
233 HB2 LYS 32 2HB LYS 32 5.169 -8.810 -0.115
234 HB3 LYS 32 1HB LYS 32 4.305 -8.651 -1.639
235 HG2 LYS 32 2HG LYS 32 5.566 -6.597 -2.113
236 HG3 LYS 32 1HG LYS 32 6.456 -6.818 -0.605
237 HD2 LYS 32 2HD LYS 32 6.412 -8.726 -2.942
238 HD3 LYS 32 1HD LYS 32 7.729 -7.631 -2.524
239 HE2 LYS 32 2HE LYS 32 6.705 -9.910 -0.836
240 HE3 LYS 32 1HE LYS 32 8.209 -9.893 -1.755
241 HZ1 LYS 32 3HZ LYS 32 7.507 -8.309 0.650
242 HZ2 LYS 32 1HZ LYS 32 8.819 -7.897 -0.352
243 HZ3 LYS 32 2HZ LYS 32 8.790 -9.396 0.439
244 HA PRO 33 HA PRO 33 -0.118 -8.926 0.882
245 HB2 PRO 33 2HB PRO 33 -0.573 -9.076 -2.068
246 HB3 PRO 33 1HB PRO 33 -1.719 -8.695 -0.778
247 HG2 PRO 33 2HG PRO 33 -0.764 -6.766 -2.311
248 HG3 PRO 33 1HG PRO 33 -0.944 -6.510 -0.565
249 HD2 PRO 33 2HD PRO 33 1.525 -7.056 -2.160
250 HD3 PRO 33 1HD PRO 33 1.300 -5.978 -0.768
251 H GLN 34 H GLN 34 -1.147 -11.072 -0.117
252 HA GLN 34 HA GLN 34 1.073 -12.943 0.003
253 HB2 GLN 34 2HB GLN 34 -1.917 -13.409 0.033
254 HB3 GLN 34 1HB GLN 34 -0.695 -14.646 0.290
255 HG2 GLN 34 2HG GLN 34 0.090 -13.475 2.277
256 HG3 GLN 34 1HG GLN 34 -1.128 -12.229 2.022
257 HE21 GLN 34 1HE2 GLN 34 -3.180 -14.132 1.180
258 HE22 GLN 34 2HE2 GLN 34 -3.683 -14.940 2.625
259 H GLU 35 H GLU 35 -1.391 -11.898 -2.238
260 HA GLU 35 HA GLU 35 -0.500 -13.861 -4.225
261 HB2 GLU 35 2HB GLU 35 -2.455 -12.997 -5.550
262 HB3 GLU 35 1HB GLU 35 -2.872 -13.773 -4.032
263 HG2 GLU 35 2HG GLU 35 -2.634 -10.793 -4.316
264 HG3 GLU 35 1HG GLU 35 -4.132 -11.667 -4.619
265 H LEU 36 H LEU 36 0.452 -10.953 -3.229
266 HA LEU 36 HA LEU 36 0.682 -9.375 -5.547
267 HG LEU 36 HG LEU 36 2.531 -6.984 -3.487
268 HB2 LEU 36 2HB LEU 36 1.005 -8.702 -3.155
269 HB3 LEU 36 1HB LEU 36 2.604 -9.390 -3.259
270 HD11 LEU 36 1HD1 LEU 36 3.980 -6.782 -5.401
271 HD12 LEU 36 2HD1 LEU 36 3.436 -8.368 -5.951
272 HD13 LEU 36 3HD1 LEU 36 4.333 -8.222 -4.446
273 HD21 LEU 36 3HD2 LEU 36 0.423 -6.604 -4.550
274 HD22 LEU 36 1HD2 LEU 36 0.982 -7.430 -6.017
275 HD23 LEU 36 2HD2 LEU 36 1.723 -5.907 -5.524
276 H LYS 37 H LYS 37 1.635 -10.039 -7.360
277 HA LYS 37 HA LYS 37 4.315 -11.190 -7.183
278 HB2 LYS 37 2HB LYS 37 3.740 -12.698 -9.115
279 HB3 LYS 37 1HB LYS 37 2.961 -13.111 -7.595
280 HG2 LYS 37 2HG LYS 37 0.883 -12.112 -8.356
281 HG3 LYS 37 1HG LYS 37 1.660 -11.597 -9.853
282 HD2 LYS 37 2HD LYS 37 0.363 -13.616 -10.226
283 HD3 LYS 37 1HD LYS 37 2.083 -13.945 -10.431
284 HE2 LYS 37 2HE LYS 37 1.019 -15.737 -9.208
285 HE3 LYS 37 1HE LYS 37 2.163 -14.884 -8.173
286 HZ1 LYS 37 3HZ LYS 37 -0.778 -14.500 -8.184
287 HZ2 LYS 37 1HZ LYS 37 0.314 -13.677 -7.186
288 HZ3 LYS 37 2HZ LYS 37 0.097 -15.354 -7.017
289 H1 GLY 101 1HT GLY 101 -1.035 18.473 -7.816
290 H2 GLY 101 2HT GLY 101 -0.096 18.285 -9.208
291 H3 GLY 101 3HT GLY 101 -0.117 19.771 -8.390
292 HA2 GLY 101 1HA GLY 101 1.923 18.536 -7.938
293 HA3 GLY 101 2HA GLY 101 0.969 18.809 -6.486
294 HA PRO 102 HA PRO 102 1.722 14.222 -6.981
295 HB2 PRO 102 2HB PRO 102 3.411 13.822 -4.916
296 HB3 PRO 102 1HB PRO 102 3.994 14.295 -6.516
297 HG2 PRO 102 2HG PRO 102 3.591 15.964 -4.068
298 HG3 PRO 102 1HG PRO 102 4.906 16.014 -5.257
299 HD2 PRO 102 2HD PRO 102 2.785 17.759 -5.224
300 HD3 PRO 102 1HD PRO 102 3.724 17.365 -6.677
301 HA PRO 103 HA PRO 103 -1.299 13.700 -3.789
302 HB2 PRO 103 2HB PRO 103 -1.533 11.015 -3.792
303 HB3 PRO 103 1HB PRO 103 -2.138 12.009 -5.116
304 HG2 PRO 103 2HG PRO 103 0.370 10.400 -4.944
305 HG3 PRO 103 1HG PRO 103 -0.730 10.615 -6.317
306 HD2 PRO 103 2HD PRO 103 1.653 11.955 -6.018
307 HD3 PRO 103 1HD PRO 103 0.281 12.558 -6.970
308 H LEU 104 H LEU 104 -1.391 13.340 -1.611
309 HA LEU 104 HA LEU 104 0.989 12.438 -0.253
310 HG LEU 104 HG LEU 104 -0.389 15.055 1.974
311 HB2 LEU 104 2HB LEU 104 -1.699 13.419 0.674
312 HB3 LEU 104 1HB LEU 104 -0.587 12.663 1.797
313 HD11 LEU 104 1HD1 LEU 104 1.997 15.336 1.528
314 HD12 LEU 104 2HD1 LEU 104 1.981 13.885 0.526
315 HD13 LEU 104 3HD1 LEU 104 1.648 13.766 2.253
316 HD21 LEU 104 3HD2 LEU 104 0.360 16.431 0.083
317 HD22 LEU 104 1HD2 LEU 104 -1.220 15.702 -0.208
318 HD23 LEU 104 2HD2 LEU 104 0.217 15.032 -0.981
319 H ILE 105 H ILE 105 1.188 10.534 0.961
320 HA ILE 105 HA ILE 105 -0.504 8.362 0.115
321 HB ILE 105 HB ILE 105 1.559 8.060 2.319
322 HG12 ILE 105 2HG1 ILE 105 3.120 7.439 0.326
323 HG13 ILE 105 1HG1 ILE 105 2.034 8.427 -0.633
324 HG21 ILE 105 1HG2 ILE 105 0.639 6.220 0.139
325 HG22 ILE 105 2HG2 ILE 105 0.133 6.173 1.828
326 HG23 ILE 105 3HG2 ILE 105 1.812 5.846 1.401
327 HD11 ILE 105 3HD1 ILE 105 4.080 9.583 0.131
328 HD12 ILE 105 1HD1 ILE 105 3.488 9.433 1.787
329 HD13 ILE 105 2HD1 ILE 105 2.571 10.367 0.598
330 HA PRO 106 HA PRO 106 -3.028 8.399 3.900
331 HB2 PRO 106 2HB PRO 106 -3.504 5.554 3.346
332 HB3 PRO 106 1HB PRO 106 -4.671 6.870 3.343
333 HG2 PRO 106 2HG PRO 106 -3.916 5.590 1.095
334 HG3 PRO 106 1HG PRO 106 -4.378 7.300 1.107
335 HD2 PRO 106 2HD PRO 106 -1.654 6.070 1.040
336 HD3 PRO 106 1HD PRO 106 -2.269 7.494 0.175
337 HA PRO 107 HA PRO 107 0.063 6.104 6.217
338 HB2 PRO 107 2HB PRO 107 -1.561 6.095 8.611
339 HB3 PRO 107 1HB PRO 107 -0.104 7.034 8.285
340 HG2 PRO 107 2HG PRO 107 -2.615 8.121 8.547
341 HG3 PRO 107 1HG PRO 107 -1.291 8.873 7.642
342 HD2 PRO 107 2HD PRO 107 -3.647 7.339 6.633
343 HD3 PRO 107 1HD PRO 107 -2.821 8.746 5.922
344 HA PRO 108 HA PRO 108 -1.931 2.097 6.224
345 HB2 PRO 108 2HB PRO 108 0.513 0.820 6.952
346 HB3 PRO 108 1HB PRO 108 -0.210 0.919 5.341
347 HG2 PRO 108 2HG PRO 108 2.145 2.157 6.098
348 HG3 PRO 108 1HG PRO 108 1.129 2.620 4.710
349 HD2 PRO 108 2HD PRO 108 1.343 3.871 7.398
350 HD3 PRO 108 1HD PRO 108 1.109 4.588 5.784
351 HA PRO 109 HA PRO 109 -2.615 1.389 10.565
352 HB2 PRO 109 2HB PRO 109 -3.900 -0.978 10.379
353 HB3 PRO 109 1HB PRO 109 -4.649 0.542 9.876
354 HG2 PRO 109 2HG PRO 109 -3.307 -1.550 8.187
355 HG3 PRO 109 1HG PRO 109 -4.838 -0.696 7.905
356 HD2 PRO 109 2HD PRO 109 -2.511 -0.004 6.715
357 HD3 PRO 109 1HD PRO 109 -3.777 1.173 7.111
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -13.516 -15.855 -11.399
2 H2 GLY 1 2HT GLY 1 -12.506 -15.249 -12.622
3 H3 GLY 1 3HT GLY 1 -12.553 -14.495 -11.108
4 HA2 GLY 1 1HA GLY 1 -11.584 -17.251 -11.600
5 HA3 GLY 1 2HA GLY 1 -10.550 -15.843 -11.393
6 H ALA 2 H ALA 2 -10.725 -18.285 -9.785
7 HA ALA 2 HA ALA 2 -11.949 -17.592 -7.290
8 HB1 ALA 2 1HB ALA 2 -9.854 -19.685 -7.886
9 HB2 ALA 2 2HB ALA 2 -11.599 -19.931 -7.957
10 HB3 ALA 2 3HB ALA 2 -10.820 -19.567 -6.417
11 H THR 3 H THR 3 -8.630 -17.671 -8.525
12 HA THR 3 HA THR 3 -7.694 -16.027 -6.309
13 HB THR 3 HB THR 3 -5.496 -16.156 -7.587
14 HG1 THR 3 1HG THR 3 -5.587 -17.000 -9.515
15 HG21 THR 3 3HG2 THR 3 -6.782 -18.714 -6.653
16 HG22 THR 3 1HG2 THR 3 -5.884 -17.563 -5.665
17 HG23 THR 3 2HG2 THR 3 -5.054 -18.490 -6.917
18 H ALA 4 H ALA 4 -6.863 -13.912 -6.623
19 HA ALA 4 HA ALA 4 -7.159 -12.601 -9.151
20 HB1 ALA 4 1HB ALA 4 -8.955 -11.087 -8.542
21 HB2 ALA 4 2HB ALA 4 -9.140 -11.895 -6.985
22 HB3 ALA 4 3HB ALA 4 -9.516 -12.758 -8.478
23 H VAL 5 H VAL 5 -5.720 -11.039 -9.227
24 HA VAL 5 HA VAL 5 -4.427 -10.072 -6.838
25 HB VAL 5 HB VAL 5 -4.125 -8.996 -9.640
26 HG11 VAL 5 1HG1 VAL 5 -2.175 -8.965 -7.330
27 HG12 VAL 5 2HG1 VAL 5 -3.201 -7.614 -7.822
28 HG13 VAL 5 3HG1 VAL 5 -1.962 -8.218 -8.918
29 HG21 VAL 5 3HG2 VAL 5 -2.213 -10.521 -9.897
30 HG22 VAL 5 1HG2 VAL 5 -3.739 -11.386 -9.702
31 HG23 VAL 5 2HG2 VAL 5 -2.618 -11.260 -8.347
32 H SER 6 H SER 6 -5.141 -8.417 -5.696
33 HA SER 6 HA SER 6 -7.280 -6.750 -6.618
34 HG SER 6 HG SER 6 -7.386 -8.402 -4.809
35 HB2 SER 6 2HB SER 6 -5.682 -6.483 -4.106
36 HB3 SER 6 1HB SER 6 -7.237 -5.728 -4.455
37 H GLU 7 H GLU 7 -7.048 -4.322 -6.325
38 HA GLU 7 HA GLU 7 -4.859 -3.574 -7.984
39 HB2 GLU 7 2HB GLU 7 -7.042 -2.021 -6.611
40 HB3 GLU 7 1HB GLU 7 -5.745 -1.221 -7.491
41 HG2 GLU 7 2HG GLU 7 -7.569 -3.284 -8.694
42 HG3 GLU 7 1HG GLU 7 -7.835 -1.544 -8.794
43 H TRP 8 H TRP 8 -2.972 -3.518 -7.247
44 HA TRP 8 HA TRP 8 -2.451 -2.820 -4.418
45 HD1 TRP 8 HD TRP 8 -1.079 -7.138 -6.173
46 HE1 TRP 8 1HE TRP 8 -2.619 -8.694 -4.825
47 HE3 TRP 8 3HE TRP 8 -3.108 -3.690 -3.131
48 HZ2 TRP 8 2HZ TRP 8 -4.544 -8.440 -2.729
49 HZ3 TRP 8 3HZ TRP 8 -4.866 -4.380 -1.587
50 HH2 TRP 8 HH TRP 8 -5.551 -6.648 -1.324
51 HB2 TRP 8 2HB TRP 8 -0.817 -4.542 -6.349
52 HB3 TRP 8 1HB TRP 8 -0.367 -4.180 -4.694
53 H THR 9 H THR 9 -1.808 -0.696 -4.515
54 HA THR 9 HA THR 9 -0.012 0.100 -6.670
55 HB THR 9 HB THR 9 -1.256 1.922 -6.626
56 HG1 THR 9 1HG THR 9 -0.416 3.529 -5.492
57 HG21 THR 9 3HG2 THR 9 -2.766 2.610 -4.800
58 HG22 THR 9 1HG2 THR 9 -2.090 1.333 -3.787
59 HG23 THR 9 2HG2 THR 9 -3.003 0.916 -5.241
60 H GLU 10 H GLU 10 1.725 1.507 -6.121
61 HA GLU 10 HA GLU 10 3.103 0.456 -3.730
62 HB2 GLU 10 2HB GLU 10 4.351 1.335 -6.331
63 HB3 GLU 10 1HB GLU 10 5.229 0.757 -4.931
64 HG2 GLU 10 2HG GLU 10 4.169 -1.427 -5.148
65 HG3 GLU 10 1HG GLU 10 3.256 -0.855 -6.542
66 H TYR 11 H TYR 11 2.949 1.915 -2.290
67 HA TYR 11 HA TYR 11 3.533 4.729 -2.933
68 HD1 TYR 11 1HD TYR 11 2.518 6.964 -2.077
69 HD2 TYR 11 2HD TYR 11 -0.499 4.077 -2.883
70 HE1 TYR 11 1HE TYR 11 1.216 8.686 -3.253
71 HE2 TYR 11 2HE TYR 11 -1.811 5.778 -4.081
72 HH TYR 11 HH TYR 11 -2.040 8.209 -4.152
73 HB2 TYR 11 2HB TYR 11 1.273 3.488 -1.536
74 HB3 TYR 11 1HB TYR 11 2.033 4.771 -0.611
75 H LYS 12 H LYS 12 4.875 5.806 -1.434
76 HA LYS 12 HA LYS 12 5.671 4.186 0.873
77 HB2 LYS 12 2HB LYS 12 7.989 5.004 0.643
78 HB3 LYS 12 1HB LYS 12 7.480 4.027 -0.724
79 HG2 LYS 12 2HG LYS 12 7.059 6.132 -1.990
80 HG3 LYS 12 1HG LYS 12 7.746 7.023 -0.631
81 HD2 LYS 12 2HD LYS 12 9.819 5.648 -0.886
82 HD3 LYS 12 1HD LYS 12 9.138 4.993 -2.374
83 HE2 LYS 12 2HE LYS 12 9.768 7.881 -1.787
84 HE3 LYS 12 1HE LYS 12 10.671 6.811 -2.855
85 HZ1 LYS 12 3HZ LYS 12 8.590 6.633 -4.208
86 HZ2 LYS 12 1HZ LYS 12 9.296 8.178 -4.185
87 HZ3 LYS 12 2HZ LYS 12 7.925 7.858 -3.243
88 H THR 13 H THR 13 5.504 5.150 2.739
89 HA THR 13 HA THR 13 4.450 7.843 2.764
90 HB THR 13 HB THR 13 4.110 7.348 5.221
91 HG1 THR 13 1HG THR 13 4.880 5.533 6.032
92 HG21 THR 13 3HG2 THR 13 2.341 6.993 3.549
93 HG22 THR 13 1HG2 THR 13 2.270 5.784 4.833
94 HG23 THR 13 2HG2 THR 13 2.951 5.364 3.260
95 H ALA 14 H ALA 14 5.153 8.885 5.112
96 HA ALA 14 HA ALA 14 7.814 9.830 4.699
97 HB1 ALA 14 1HB ALA 14 5.944 10.252 7.023
98 HB2 ALA 14 2HB ALA 14 6.013 11.248 5.569
99 HB3 ALA 14 3HB ALA 14 7.392 11.193 6.668
100 H ASP 15 H ASP 15 6.900 6.965 5.776
101 HA ASP 15 HA ASP 15 8.721 6.663 8.010
102 HB2 ASP 15 2HB ASP 15 7.140 4.635 6.416
103 HB3 ASP 15 1HB ASP 15 8.084 4.268 7.853
104 H GLY 16 H GLY 16 8.845 6.572 4.608
105 HA2 GLY 16 2HA GLY 16 10.568 6.038 3.160
106 HA3 GLY 16 1HA GLY 16 11.568 5.662 4.558
107 H LYS 17 H LYS 17 8.445 4.246 4.081
108 HA LYS 17 HA LYS 17 9.709 1.626 3.620
109 HB2 LYS 17 2HB LYS 17 7.157 2.218 5.122
110 HB3 LYS 17 1HB LYS 17 7.893 0.638 4.917
111 HG2 LYS 17 2HG LYS 17 9.196 2.925 6.371
112 HG3 LYS 17 1HG LYS 17 8.216 1.688 7.158
113 HD2 LYS 17 2HD LYS 17 9.793 -0.022 6.215
114 HD3 LYS 17 1HD LYS 17 10.810 1.312 5.667
115 HE2 LYS 17 2HE LYS 17 11.565 0.375 7.817
116 HE3 LYS 17 1HE LYS 17 11.106 2.075 7.943
117 HZ1 LYS 17 3HZ LYS 17 10.260 0.709 9.786
118 HZ2 LYS 17 1HZ LYS 17 9.356 -0.211 8.685
119 HZ3 LYS 17 2HZ LYS 17 9.009 1.435 8.903
120 H THR 18 H THR 18 8.610 0.173 2.275
121 HA THR 18 HA THR 18 6.957 1.415 0.246
122 HB THR 18 HB THR 18 7.926 -1.449 0.409
123 HG1 THR 18 1HG THR 18 9.809 -0.515 0.056
124 HG21 THR 18 3HG2 THR 18 6.059 -1.138 -1.129
125 HG22 THR 18 1HG2 THR 18 7.546 -1.428 -2.032
126 HG23 THR 18 2HG2 THR 18 6.895 0.206 -1.904
127 H TYR 19 H TYR 19 4.848 1.505 0.503
128 HA TYR 19 HA TYR 19 3.470 -0.620 2.000
129 HD1 TYR 19 1HD TYR 19 0.616 -0.044 2.426
130 HD2 TYR 19 2HD TYR 19 2.047 4.001 2.636
131 HE1 TYR 19 1HE TYR 19 -1.676 0.786 2.507
132 HE2 TYR 19 2HE TYR 19 -0.215 4.768 2.672
133 HH TYR 19 HH TYR 19 -2.906 2.746 3.208
134 HB2 TYR 19 2HB TYR 19 3.184 1.053 3.492
135 HB3 TYR 19 1HB TYR 19 3.601 2.283 2.324
136 H TYR 20 H TYR 20 1.589 -1.443 1.123
137 HA TYR 20 HA TYR 20 0.903 -0.434 -1.560
138 HD1 TYR 20 1HD TYR 20 1.770 -2.254 -3.576
139 HD2 TYR 20 2HD TYR 20 2.419 -4.104 0.228
140 HE1 TYR 20 1HE TYR 20 3.894 -3.175 -4.387
141 HE2 TYR 20 2HE TYR 20 4.539 -5.015 -0.603
142 HH TYR 20 HH TYR 20 5.959 -4.029 -3.596
143 HB2 TYR 20 2HB TYR 20 0.194 -3.154 -0.386
144 HB3 TYR 20 1HB TYR 20 -0.089 -2.602 -2.020
145 H TYR 21 H TYR 21 -1.131 0.299 -1.951
146 HA TYR 21 HA TYR 21 -2.999 0.238 0.321
147 HD1 TYR 21 1HD TYR 21 -5.299 1.881 -2.333
148 HD2 TYR 21 2HD TYR 21 -3.820 3.372 1.385
149 HE1 TYR 21 1HE TYR 21 -7.535 2.729 -1.775
150 HE2 TYR 21 2HE TYR 21 -6.050 4.199 1.933
151 HH TYR 21 HH TYR 21 -8.095 4.919 0.743
152 HB2 TYR 21 2HB TYR 21 -2.287 2.532 -0.264
153 HB3 TYR 21 1HB TYR 21 -2.815 2.280 -1.923
154 H ASN 22 H ASN 22 -4.488 -1.114 0.075
155 HA ASN 22 HA ASN 22 -4.930 -2.540 -2.347
156 HB2 ASN 22 2HB ASN 22 -5.117 -3.783 -0.336
157 HB3 ASN 22 1HB ASN 22 -6.112 -2.560 0.443
158 HD21 ASN 22 1HD2 ASN 22 -8.313 -2.592 0.142
159 HD22 ASN 22 2HD2 ASN 22 -9.127 -3.877 -0.669
160 H ASN 23 H ASN 23 -6.142 -1.752 -3.956
161 HA ASN 23 HA ASN 23 -8.466 -0.100 -3.300
162 HB2 ASN 23 2HB ASN 23 -7.109 -0.710 -5.929
163 HB3 ASN 23 1HB ASN 23 -8.629 0.169 -5.817
164 HD21 ASN 23 1HD2 ASN 23 -6.159 1.107 -6.909
165 HD22 ASN 23 2HD2 ASN 23 -5.669 2.466 -5.959
166 H ARG 24 H ARG 24 -8.186 -3.116 -2.883
167 HA ARG 24 HA ARG 24 -10.055 -4.321 -4.618
168 HE ARG 24 HE ARG 24 -8.266 -7.733 -2.472
169 HB2 ARG 24 2HB ARG 24 -8.528 -5.592 -3.079
170 HB3 ARG 24 1HB ARG 24 -9.608 -5.142 -1.767
171 HG2 ARG 24 2HG ARG 24 -11.463 -6.202 -3.200
172 HG3 ARG 24 1HG ARG 24 -10.137 -6.946 -4.093
173 HD2 ARG 24 2HD ARG 24 -10.804 -7.265 -1.176
174 HD3 ARG 24 1HD ARG 24 -10.842 -8.495 -2.439
175 HH11 ARG 24 1HH1 ARG 24 -10.427 -8.700 0.109
176 HH12 ARG 24 2HH1 ARG 24 -9.152 -9.321 1.120
177 HH21 ARG 24 1HH2 ARG 24 -6.580 -8.536 -1.118
178 HH22 ARG 24 2HH2 ARG 24 -6.971 -9.221 0.430
179 H THR 25 H THR 25 -10.749 -4.177 -1.201
180 HA THR 25 HA THR 25 -13.289 -2.805 -1.658
181 HB THR 25 HB THR 25 -13.643 -3.520 0.790
182 HG1 THR 25 1HG THR 25 -12.242 -4.970 1.616
183 HG21 THR 25 3HG2 THR 25 -14.753 -4.610 -1.099
184 HG22 THR 25 1HG2 THR 25 -14.298 -5.794 0.130
185 HG23 THR 25 2HG2 THR 25 -13.340 -5.633 -1.342
186 H LEU 26 H LEU 26 -10.510 -1.614 -1.502
187 HA LEU 26 HA LEU 26 -9.459 0.225 -0.721
188 HG LEU 26 HG LEU 26 -12.254 0.926 -1.807
189 HB2 LEU 26 2HB LEU 26 -12.091 0.781 0.640
190 HB3 LEU 26 1HB LEU 26 -10.734 1.894 0.617
191 HD11 LEU 26 1HD1 LEU 26 -13.538 2.479 -0.429
192 HD12 LEU 26 2HD1 LEU 26 -13.045 3.227 -1.947
193 HD13 LEU 26 3HD1 LEU 26 -12.191 3.618 -0.453
194 HD21 LEU 26 3HD2 LEU 26 -10.021 2.938 -1.565
195 HD22 LEU 26 1HD2 LEU 26 -10.915 2.550 -3.035
196 HD23 LEU 26 2HD2 LEU 26 -9.889 1.331 -2.282
197 H GLU 27 H GLU 27 -7.915 -0.782 0.395
198 HA GLU 27 HA GLU 27 -8.172 -0.933 3.304
199 HB2 GLU 27 2HB GLU 27 -8.756 -3.215 2.439
200 HB3 GLU 27 1HB GLU 27 -7.226 -3.252 1.592
201 HG2 GLU 27 2HG GLU 27 -7.214 -4.565 3.661
202 HG3 GLU 27 1HG GLU 27 -6.007 -3.290 3.637
203 H SER 28 H SER 28 -6.001 -1.128 4.314
204 HA SER 28 HA SER 28 -3.825 -0.352 2.470
205 HG SER 28 HG SER 28 -5.147 1.853 3.854
206 HB2 SER 28 2HB SER 28 -4.359 0.398 5.316
207 HB3 SER 28 1HB SER 28 -2.760 0.540 4.646
208 H THR 29 H THR 29 -1.987 -1.592 2.463
209 HA THR 29 HA THR 29 -1.573 -3.378 4.727
210 HB THR 29 HB THR 29 -2.766 -4.803 3.148
211 HG1 THR 29 1HG THR 29 -0.154 -5.736 2.795
212 HG21 THR 29 3HG2 THR 29 -2.061 -3.509 1.104
213 HG22 THR 29 1HG2 THR 29 -2.021 -5.269 0.936
214 HG23 THR 29 2HG2 THR 29 -0.522 -4.362 1.209
215 H TRP 30 H TRP 30 0.603 -4.041 4.959
216 HA TRP 30 HA TRP 30 2.278 -1.832 4.118
217 HD1 TRP 30 HD TRP 30 1.016 -2.347 7.980
218 HE1 TRP 30 1HE TRP 30 1.226 0.066 8.865
219 HE3 TRP 30 3HE TRP 30 4.793 -0.731 4.952
220 HZ2 TRP 30 2HZ TRP 30 2.792 2.392 8.281
221 HZ3 TRP 30 3HZ TRP 30 5.590 1.576 5.173
222 HH2 TRP 30 HH TRP 30 4.631 3.100 6.813
223 HB2 TRP 30 2HB TRP 30 2.388 -3.814 6.335
224 HB3 TRP 30 1HB TRP 30 3.918 -3.151 5.767
225 H GLU 31 H GLU 31 2.696 -5.352 4.355
226 HA GLU 31 HA GLU 31 4.700 -5.139 2.256
227 HB2 GLU 31 2HB GLU 31 3.999 -7.272 4.228
228 HB3 GLU 31 1HB GLU 31 4.914 -7.658 2.778
229 HG2 GLU 31 2HG GLU 31 6.533 -7.279 4.407
230 HG3 GLU 31 1HG GLU 31 6.479 -5.796 3.448
231 H LYS 32 H LYS 32 4.759 -7.118 0.818
232 HA LYS 32 HA LYS 32 2.587 -6.829 -0.952
233 HB2 LYS 32 2HB LYS 32 3.903 -8.700 -2.178
234 HB3 LYS 32 1HB LYS 32 4.642 -7.113 -1.984
235 HG2 LYS 32 2HG LYS 32 5.855 -7.959 -0.012
236 HG3 LYS 32 1HG LYS 32 5.171 -9.553 -0.314
237 HD2 LYS 32 2HD LYS 32 6.298 -9.657 -2.466
238 HD3 LYS 32 1HD LYS 32 6.909 -8.014 -2.244
239 HE2 LYS 32 2HE LYS 32 8.108 -8.803 -0.209
240 HE3 LYS 32 1HE LYS 32 7.592 -10.444 -0.598
241 HZ1 LYS 32 3HZ LYS 32 9.295 -8.699 -2.294
242 HZ2 LYS 32 1HZ LYS 32 8.774 -10.264 -2.710
243 HZ3 LYS 32 2HZ LYS 32 9.820 -10.035 -1.393
244 HA PRO 33 HA PRO 33 -0.283 -9.900 0.680
245 HB2 PRO 33 2HB PRO 33 -1.023 -9.333 -2.175
246 HB3 PRO 33 1HB PRO 33 -2.092 -9.562 -0.775
247 HG2 PRO 33 2HG PRO 33 -1.619 -7.132 -1.601
248 HG3 PRO 33 1HG PRO 33 -1.484 -7.466 0.140
249 HD2 PRO 33 2HD PRO 33 0.679 -7.123 -1.899
250 HD3 PRO 33 1HD PRO 33 0.619 -6.567 -0.213
251 H GLN 34 H GLN 34 -1.014 -12.033 -0.072
252 HA GLN 34 HA GLN 34 1.071 -13.577 -1.239
253 HB2 GLN 34 2HB GLN 34 -1.810 -14.291 -0.664
254 HB3 GLN 34 1HB GLN 34 -0.579 -15.444 -1.158
255 HG2 GLN 34 2HG GLN 34 -0.579 -13.809 1.375
256 HG3 GLN 34 1HG GLN 34 -0.927 -15.531 1.235
257 HE21 GLN 34 1HE2 GLN 34 1.151 -14.107 2.753
258 HE22 GLN 34 2HE2 GLN 34 2.650 -14.792 2.236
259 H GLU 35 H GLU 35 -1.722 -11.961 -2.482
260 HA GLU 35 HA GLU 35 -1.496 -13.240 -5.076
261 HB2 GLU 35 2HB GLU 35 -3.324 -11.078 -4.036
262 HB3 GLU 35 1HB GLU 35 -3.347 -11.649 -5.698
263 HG2 GLU 35 2HG GLU 35 -3.831 -13.361 -3.269
264 HG3 GLU 35 1HG GLU 35 -5.083 -12.698 -4.318
265 H LEU 36 H LEU 36 0.217 -10.981 -3.528
266 HA LEU 36 HA LEU 36 0.657 -9.156 -5.717
267 HG LEU 36 HG LEU 36 2.431 -7.023 -3.346
268 HB2 LEU 36 2HB LEU 36 0.835 -8.688 -3.189
269 HB3 LEU 36 1HB LEU 36 2.406 -9.423 -3.321
270 HD11 LEU 36 1HD1 LEU 36 4.224 -8.205 -4.343
271 HD12 LEU 36 2HD1 LEU 36 3.903 -6.749 -5.286
272 HD13 LEU 36 3HD1 LEU 36 3.344 -8.321 -5.860
273 HD21 LEU 36 3HD2 LEU 36 1.731 -5.738 -5.293
274 HD22 LEU 36 1HD2 LEU 36 0.369 -6.463 -4.432
275 HD23 LEU 36 2HD2 LEU 36 0.943 -7.176 -5.948
276 H LYS 37 H LYS 37 1.570 -10.107 -7.446
277 HA LYS 37 HA LYS 37 3.719 -12.055 -7.031
278 HB2 LYS 37 2HB LYS 37 2.126 -11.450 -9.534
279 HB3 LYS 37 1HB LYS 37 3.327 -12.723 -9.363
280 HG2 LYS 37 2HG LYS 37 0.763 -12.560 -7.788
281 HG3 LYS 37 1HG LYS 37 1.003 -13.540 -9.235
282 HD2 LYS 37 2HD LYS 37 2.852 -14.730 -8.053
283 HD3 LYS 37 1HD LYS 37 2.453 -13.815 -6.597
284 HE2 LYS 37 2HE LYS 37 0.554 -15.636 -8.071
285 HE3 LYS 37 1HE LYS 37 1.461 -16.081 -6.630
286 HZ1 LYS 37 3HZ LYS 37 -0.854 -15.384 -6.195
287 HZ2 LYS 37 1HZ LYS 37 -0.469 -13.837 -6.752
288 HZ3 LYS 37 2HZ LYS 37 0.289 -14.450 -5.366
289 H1 GLY 101 1HT GLY 101 3.746 21.054 -6.582
290 H2 GLY 101 2HT GLY 101 3.061 19.867 -7.580
291 H3 GLY 101 3HT GLY 101 4.554 19.591 -6.829
292 HA2 GLY 101 1HA GLY 101 3.479 19.692 -4.649
293 HA3 GLY 101 2HA GLY 101 1.939 19.895 -5.467
294 HA PRO 102 HA PRO 102 3.336 15.287 -5.714
295 HB2 PRO 102 2HB PRO 102 4.572 14.428 -3.488
296 HB3 PRO 102 1HB PRO 102 5.470 15.139 -4.836
297 HG2 PRO 102 2HG PRO 102 4.629 16.386 -2.252
298 HG3 PRO 102 1HG PRO 102 6.170 16.533 -3.110
299 HD2 PRO 102 2HD PRO 102 4.175 18.412 -3.205
300 HD3 PRO 102 1HD PRO 102 5.383 18.179 -4.485
301 HA PRO 103 HA PRO 103 -0.289 14.457 -3.261
302 HB2 PRO 103 2HB PRO 103 -0.497 11.777 -3.636
303 HB3 PRO 103 1HB PRO 103 -0.899 12.926 -4.899
304 HG2 PRO 103 2HG PRO 103 1.567 11.298 -4.543
305 HG3 PRO 103 1HG PRO 103 0.696 11.704 -6.034
306 HD2 PRO 103 2HD PRO 103 2.987 12.962 -5.225
307 HD3 PRO 103 1HD PRO 103 1.751 13.728 -6.241
308 H LEU 104 H LEU 104 -0.743 13.848 -1.149
309 HA LEU 104 HA LEU 104 1.365 12.614 0.388
310 HG LEU 104 HG LEU 104 -0.265 14.990 2.724
311 HB2 LEU 104 2HB LEU 104 -1.431 13.485 1.100
312 HB3 LEU 104 1HB LEU 104 -0.375 12.679 2.243
313 HD11 LEU 104 1HD1 LEU 104 2.076 15.539 2.333
314 HD12 LEU 104 2HD1 LEU 104 2.174 14.267 1.115
315 HD13 LEU 104 3HD1 LEU 104 1.875 13.850 2.802
316 HD21 LEU 104 3HD2 LEU 104 -1.183 15.872 0.654
317 HD22 LEU 104 1HD2 LEU 104 0.316 15.484 -0.192
318 HD23 LEU 104 2HD2 LEU 104 0.311 16.704 1.081
319 H ILE 105 H ILE 105 1.378 10.562 1.191
320 HA ILE 105 HA ILE 105 -0.410 8.639 0.005
321 HB ILE 105 HB ILE 105 1.668 7.992 2.135
322 HG12 ILE 105 2HG1 ILE 105 3.073 7.373 0.039
323 HG13 ILE 105 1HG1 ILE 105 1.985 8.431 -0.834
324 HG21 ILE 105 1HG2 ILE 105 0.439 6.381 -0.073
325 HG22 ILE 105 2HG2 ILE 105 0.074 6.258 1.649
326 HG23 ILE 105 3HG2 ILE 105 1.674 5.822 1.055
327 HD11 ILE 105 3HD1 ILE 105 2.671 10.248 0.772
328 HD12 ILE 105 1HD1 ILE 105 3.873 9.695 -0.391
329 HD13 ILE 105 2HD1 ILE 105 3.962 9.159 1.286
330 HA PRO 106 HA PRO 106 -3.082 8.418 3.673
331 HB2 PRO 106 2HB PRO 106 -3.948 5.834 3.318
332 HB3 PRO 106 1HB PRO 106 -4.649 7.177 2.434
333 HG2 PRO 106 2HG PRO 106 -2.622 5.196 1.542
334 HG3 PRO 106 1HG PRO 106 -3.983 5.892 0.646
335 HD2 PRO 106 2HD PRO 106 -1.435 6.721 0.296
336 HD3 PRO 106 1HD PRO 106 -2.826 7.814 0.135
337 HA PRO 107 HA PRO 107 -0.080 6.070 5.997
338 HB2 PRO 107 2HB PRO 107 -1.721 6.001 8.365
339 HB3 PRO 107 1HB PRO 107 -0.305 7.004 8.051
340 HG2 PRO 107 2HG PRO 107 -2.879 7.963 8.289
341 HG3 PRO 107 1HG PRO 107 -1.569 8.798 7.441
342 HD2 PRO 107 2HD PRO 107 -3.828 7.192 6.328
343 HD3 PRO 107 1HD PRO 107 -3.035 8.641 5.669
344 HA PRO 108 HA PRO 108 -1.968 2.006 6.055
345 HB2 PRO 108 2HB PRO 108 0.549 0.847 6.733
346 HB3 PRO 108 1HB PRO 108 -0.256 0.858 5.158
347 HG2 PRO 108 2HG PRO 108 2.081 2.201 5.741
348 HG3 PRO 108 1HG PRO 108 0.975 2.590 4.405
349 HD2 PRO 108 2HD PRO 108 1.274 3.908 7.055
350 HD3 PRO 108 1HD PRO 108 0.963 4.585 5.432
351 HA PRO 109 HA PRO 109 -2.397 1.260 10.446
352 HB2 PRO 109 2HB PRO 109 -3.431 -1.249 10.268
353 HB3 PRO 109 1HB PRO 109 -4.379 0.193 9.878
354 HG2 PRO 109 2HG PRO 109 -2.928 -1.669 8.010
355 HG3 PRO 109 1HG PRO 109 -4.566 -1.001 7.871
356 HD2 PRO 109 2HD PRO 109 -2.462 -0.006 6.546
357 HD3 PRO 109 1HD PRO 109 -3.784 1.025 7.129