Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
575255 | 2mj2 RC | 19702 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 HT1 THR 1 -15.073 8.051 15.610
2 H2 THR 1 HT2 THR 1 -14.254 6.978 14.595
3 H3 THR 1 HT3 THR 1 -15.756 6.552 15.240
4 HA THR 1 HA THR 1 -16.844 8.264 14.001
5 HB THR 1 HB THR 1 -15.440 9.383 12.170
6 HG1 THR 1 HG1 THR 1 -13.464 8.530 12.210
7 HG21 THR 1 HG21 THR 1 -16.359 10.620 14.053
8 HG22 THR 1 HG22 THR 1 -14.737 11.199 13.679
9 HG23 THR 1 HG23 THR 1 -14.997 10.136 15.061
10 H TRP 2 HN TRP 2 -17.760 6.302 13.367
11 HA TRP 2 HA TRP 2 -16.459 4.737 11.301
12 HB2 TRP 2 HB2 TRP 2 -17.702 3.612 13.121
13 HB3 TRP 2 HB1 TRP 2 -19.179 4.403 12.585
14 HD1 TRP 2 HD1 TRP 2 -20.185 3.593 10.186
15 HE1 TRP 2 HE1 TRP 2 -20.002 1.331 8.975
16 HE3 TRP 2 HE3 TRP 2 -16.197 1.654 12.718
17 HZ2 TRP 2 HZ2 TRP 2 -18.372 -0.975 9.084
18 HZ3 TRP 2 HZ3 TRP 2 -15.384 -0.583 12.104
19 HH2 TRP 2 HH2 TRP 2 -16.451 -1.871 10.324
20 H SER 3 HN SER 3 -16.733 5.066 9.212
21 HA SER 3 HA SER 3 -19.279 6.197 8.300
22 HB2 SER 3 HB2 SER 3 -17.973 7.368 6.469
23 HB3 SER 3 HB1 SER 3 -17.755 8.028 8.089
24 HG SER 3 HG SER 3 -15.889 6.270 7.922
25 H GLY 4 HN GLY 4 -20.257 4.993 6.813
26 HA2 GLY 4 HA2 GLY 4 -18.743 2.733 5.699
27 HA3 GLY 4 HA1 GLY 4 -20.487 2.800 5.890
28 H THR 5 HN THR 5 -19.144 5.664 4.701
29 HA THR 5 HA THR 5 -20.471 5.379 2.196
30 HB THR 5 HB THR 5 -19.233 7.604 1.735
31 HG1 THR 5 HG1 THR 5 -18.322 8.562 3.555
32 HG21 THR 5 HG21 THR 5 -21.588 7.482 2.377
33 HG22 THR 5 HG22 THR 5 -20.797 8.840 3.178
34 HG23 THR 5 HG23 THR 5 -21.130 7.361 4.075
35 H LYS 6 HN LYS 6 -17.034 5.908 3.005
36 HA LYS 6 HA LYS 6 -16.325 4.711 0.424
37 HB2 LYS 6 HB2 LYS 6 -14.750 6.497 2.272
38 HB3 LYS 6 HB1 LYS 6 -14.118 5.798 0.789
39 HG2 LYS 6 HG2 LYS 6 -16.525 7.580 0.916
40 HG3 LYS 6 HG1 LYS 6 -14.888 8.149 0.573
41 HD2 LYS 6 HD2 LYS 6 -14.828 6.568 -1.358
42 HD3 LYS 6 HD1 LYS 6 -16.526 6.201 -1.048
43 HE2 LYS 6 HE2 LYS 6 -16.343 7.855 -2.806
44 HE3 LYS 6 HE1 LYS 6 -17.076 8.575 -1.373
45 HZ1 LYS 6 HZ1 LYS 6 -15.431 10.043 -2.324
46 HZ2 LYS 6 HZ2 LYS 6 -14.241 8.852 -2.206
47 HZ3 LYS 6 HZ3 LYS 6 -14.913 9.518 -0.805
48 H LYS 7 HN LYS 7 -17.060 3.048 2.660
49 HA LYS 7 HA LYS 7 -14.802 2.162 4.101
50 HB2 LYS 7 HB2 LYS 7 -16.208 0.153 4.624
51 HB3 LYS 7 HB1 LYS 7 -16.951 1.697 5.006
52 HG2 LYS 7 HG2 LYS 7 -18.296 1.562 2.977
53 HG3 LYS 7 HG1 LYS 7 -17.536 0.023 2.572
54 HD2 LYS 7 HD2 LYS 7 -18.456 -0.996 4.563
55 HD3 LYS 7 HD1 LYS 7 -19.121 0.550 5.086
56 HE2 LYS 7 HE2 LYS 7 -20.584 0.592 3.139
57 HE3 LYS 7 HE1 LYS 7 -19.896 -0.929 2.575
58 HZ1 LYS 7 HZ1 LYS 7 -21.999 -1.282 3.704
59 HZ2 LYS 7 HZ2 LYS 7 -21.408 -0.544 5.103
60 HZ3 LYS 7 HZ3 LYS 7 -20.740 -2.004 4.571
61 H ARG 8 HN ARG 8 -16.097 1.250 0.983
62 HA ARG 8 HA ARG 8 -14.457 -1.076 0.691
63 HB2 ARG 8 HB2 ARG 8 -16.574 -0.705 -0.576
64 HB3 ARG 8 HB1 ARG 8 -15.779 0.586 -1.464
65 HG2 ARG 8 HG2 ARG 8 -15.825 -1.440 -2.779
66 HG3 ARG 8 HG1 ARG 8 -14.163 -1.028 -2.351
67 HD2 ARG 8 HD2 ARG 8 -14.185 -2.671 -0.569
68 HD3 ARG 8 HD1 ARG 8 -15.873 -3.048 -0.904
69 HE ARG 8 HE ARG 8 -14.249 -3.420 -3.210
70 HH11 ARG 8 HH11 ARG 8 -15.087 -4.875 -0.144
71 HH12 ARG 8 HH12 ARG 8 -14.785 -6.498 -0.678
72 HH21 ARG 8 HH21 ARG 8 -13.824 -5.554 -3.922
73 HH22 ARG 8 HH22 ARG 8 -14.060 -6.885 -2.833
74 H ALA 9 HN ALA 9 -14.185 2.321 -0.129
75 HA ALA 9 HA ALA 9 -11.832 2.148 -1.689
76 HB1 ALA 9 HB1 ALA 9 -11.652 4.555 -1.345
77 HB2 ALA 9 HB2 ALA 9 -12.867 4.472 -0.071
78 HB3 ALA 9 HB3 ALA 9 -13.311 4.099 -1.735
79 H GLN 10 HN GLN 10 -12.433 2.387 1.753
80 HA GLN 10 HA GLN 10 -9.819 2.999 2.597
81 HB2 GLN 10 HB2 GLN 10 -11.929 1.378 4.035
82 HB3 GLN 10 HB1 GLN 10 -10.498 2.081 4.775
83 HG2 GLN 10 HG2 GLN 10 -12.779 3.584 3.513
84 HG3 GLN 10 HG1 GLN 10 -12.448 3.429 5.238
85 HE21 GLN 10 HE21 GLN 10 -12.654 5.802 3.539
86 HE22 GLN 10 HE22 GLN 10 -11.163 6.656 3.729
87 H ARG 11 HN ARG 11 -11.356 0.000 1.675
88 HA ARG 11 HA ARG 11 -9.294 -1.743 2.563
89 HB2 ARG 11 HB2 ARG 11 -11.104 -3.043 2.174
90 HB3 ARG 11 HB1 ARG 11 -11.766 -1.932 0.985
91 HG2 ARG 11 HG2 ARG 11 -10.285 -2.829 -0.710
92 HG3 ARG 11 HG1 ARG 11 -9.557 -3.915 0.474
93 HD2 ARG 11 HD2 ARG 11 -11.640 -5.084 0.748
94 HD3 ARG 11 HD1 ARG 11 -12.473 -3.921 -0.280
95 HE ARG 11 HE ARG 11 -10.966 -4.752 -2.106
96 HH11 ARG 11 HH11 ARG 11 -11.797 -6.783 0.626
97 HH12 ARG 11 HH12 ARG 11 -11.597 -8.261 -0.256
98 HH21 ARG 11 HH21 ARG 11 -10.729 -6.696 -3.268
99 HH22 ARG 11 HH22 ARG 11 -10.989 -8.213 -2.472
100 H ILE 12 HN ILE 12 -10.027 -0.139 -0.495
101 HA ILE 12 HA ILE 12 -7.930 -1.289 -1.998
102 HB ILE 12 HB ILE 12 -9.282 1.388 -2.405
103 HG12 ILE 12 HG12 ILE 12 -9.954 -1.306 -3.606
104 HG13 ILE 12 HG11 ILE 12 -10.838 -0.559 -2.280
105 HG21 ILE 12 HG21 ILE 12 -7.203 1.165 -3.671
106 HG22 ILE 12 HG22 ILE 12 -8.604 1.146 -4.741
107 HG23 ILE 12 HG23 ILE 12 -7.773 -0.359 -4.349
108 HD11 ILE 12 HD11 ILE 12 -10.561 0.550 -5.061
109 HD12 ILE 12 HD12 ILE 12 -11.447 1.298 -3.734
110 HD13 ILE 12 HD13 ILE 12 -11.985 -0.246 -4.392
111 H LEU 13 HN LEU 13 -8.169 1.504 0.089
112 HA LEU 13 HA LEU 13 -5.734 2.731 -0.472
113 HB2 LEU 13 HB2 LEU 13 -7.650 3.625 0.919
114 HB3 LEU 13 HB1 LEU 13 -7.093 2.599 2.223
115 HG LEU 13 HG LEU 13 -5.285 4.675 1.007
116 HD11 LEU 13 HD11 LEU 13 -6.006 6.210 2.771
117 HD12 LEU 13 HD12 LEU 13 -7.249 5.059 3.264
118 HD13 LEU 13 HD13 LEU 13 -7.332 5.818 1.675
119 HD21 LEU 13 HD21 LEU 13 -4.229 4.594 3.217
120 HD22 LEU 13 HD22 LEU 13 -4.245 3.003 2.457
121 HD23 LEU 13 HD23 LEU 13 -5.400 3.380 3.734
122 H ILE 14 HN ILE 14 -6.562 0.126 1.782
123 HA ILE 14 HA ILE 14 -4.084 -0.210 3.018
124 HB ILE 14 HB ILE 14 -6.028 -2.401 2.255
125 HG12 ILE 14 HG12 ILE 14 -5.834 -0.798 4.816
126 HG13 ILE 14 HG11 ILE 14 -7.059 -0.563 3.572
127 HG21 ILE 14 HG21 ILE 14 -3.874 -2.316 4.368
128 HG22 ILE 14 HG22 ILE 14 -3.847 -3.270 2.884
129 HG23 ILE 14 HG23 ILE 14 -5.035 -3.625 4.139
130 HD11 ILE 14 HD11 ILE 14 -7.877 -2.831 3.960
131 HD12 ILE 14 HD12 ILE 14 -7.932 -1.852 5.426
132 HD13 ILE 14 HD13 ILE 14 -6.656 -3.051 5.211
133 H PHE 15 HN PHE 15 -5.336 -1.559 0.003
134 HA PHE 15 HA PHE 15 -3.114 -3.185 -0.599
135 HB2 PHE 15 HB2 PHE 15 -5.064 -1.909 -2.527
136 HB3 PHE 15 HB1 PHE 15 -4.015 -3.276 -2.870
137 HD1 PHE 15 HD2 PHE 15 -4.573 -4.481 0.012
138 HD2 PHE 15 HD1 PHE 15 -7.011 -3.157 -3.215
139 HE1 PHE 15 HE2 PHE 15 -6.362 -5.996 0.746
140 HE2 PHE 15 HE1 PHE 15 -8.803 -4.675 -2.488
141 HZ PHE 15 HZ PHE 15 -8.480 -6.097 -0.506
142 H LEU 16 HN LEU 16 -3.971 0.116 -1.593
143 HA LEU 16 HA LEU 16 -1.724 0.448 -3.283
144 HB2 LEU 16 HB2 LEU 16 -2.523 2.549 -3.708
145 HB3 LEU 16 HB1 LEU 16 -3.980 1.751 -3.162
146 HG LEU 16 HG LEU 16 -3.385 2.780 -0.846
147 HD11 LEU 16 HD11 LEU 16 -1.135 3.519 -1.629
148 HD12 LEU 16 HD12 LEU 16 -2.119 4.798 -0.909
149 HD13 LEU 16 HD13 LEU 16 -1.945 4.699 -2.663
150 HD21 LEU 16 HD21 LEU 16 -5.320 3.360 -2.277
151 HD22 LEU 16 HD22 LEU 16 -4.311 4.536 -3.119
152 HD23 LEU 16 HD23 LEU 16 -4.671 4.749 -1.406
153 H LEU 17 HN LEU 17 -2.324 1.106 0.107
154 HA LEU 17 HA LEU 17 0.050 2.512 0.659
155 HB2 LEU 17 HB2 LEU 17 -1.834 2.476 2.190
156 HB3 LEU 17 HB1 LEU 17 -1.658 0.746 2.410
157 HG LEU 17 HG LEU 17 0.507 1.100 3.505
158 HD11 LEU 17 HD11 LEU 17 1.177 3.137 2.371
159 HD12 LEU 17 HD12 LEU 17 1.204 3.359 4.119
160 HD13 LEU 17 HD13 LEU 17 -0.120 4.027 3.166
161 HD21 LEU 17 HD21 LEU 17 -1.528 0.993 4.833
162 HD22 LEU 17 HD22 LEU 17 -1.746 2.735 4.657
163 HD23 LEU 17 HD23 LEU 17 -0.363 2.104 5.552
164 H GLU 18 HN GLU 18 -0.764 -0.921 1.062
165 HA GLU 18 HA GLU 18 1.709 -1.854 1.897
166 HB2 GLU 18 HB2 GLU 18 -0.490 -3.154 0.307
167 HB3 GLU 18 HB1 GLU 18 0.956 -4.032 0.784
168 HG2 GLU 18 HG2 GLU 18 -0.906 -2.649 2.701
169 HG3 GLU 18 HG1 GLU 18 -0.970 -4.365 2.300
170 H PHE 19 HN PHE 19 0.492 -1.384 -1.398
171 HA PHE 19 HA PHE 19 2.704 -2.427 -2.768
172 HB2 PHE 19 HB2 PHE 19 0.619 -1.944 -3.921
173 HB3 PHE 19 HB1 PHE 19 0.802 -0.224 -3.593
174 HD1 PHE 19 HD2 PHE 19 2.507 -3.062 -5.282
175 HD2 PHE 19 HD1 PHE 19 1.846 1.138 -5.148
176 HE1 PHE 19 HE2 PHE 19 3.779 -2.799 -7.368
177 HE2 PHE 19 HE1 PHE 19 3.125 1.406 -7.231
178 HZ PHE 19 HZ PHE 19 4.093 -0.563 -8.340
179 H LEU 20 HN LEU 20 1.983 0.918 -1.809
180 HA LEU 20 HA LEU 20 4.265 2.140 -2.828
181 HB2 LEU 20 HB2 LEU 20 2.315 2.760 -0.680
182 HB3 LEU 20 HB1 LEU 20 3.819 3.656 -0.664
183 HG LEU 20 HG LEU 20 3.361 4.693 -2.732
184 HD11 LEU 20 HD11 LEU 20 1.483 4.087 -4.176
185 HD12 LEU 20 HD12 LEU 20 1.086 2.749 -3.099
186 HD13 LEU 20 HD13 LEU 20 2.610 2.744 -3.986
187 HD21 LEU 20 HD21 LEU 20 1.146 5.694 -2.389
188 HD22 LEU 20 HD22 LEU 20 2.075 5.599 -0.893
189 HD23 LEU 20 HD23 LEU 20 0.781 4.441 -1.202
190 H LEU 21 HN LEU 21 3.741 0.737 0.391
191 HA LEU 21 HA LEU 21 6.292 1.400 1.422
192 HB2 LEU 21 HB2 LEU 21 4.559 -0.931 2.242
193 HB3 LEU 21 HB1 LEU 21 5.779 -0.129 3.213
194 HG LEU 21 HG LEU 21 3.193 1.106 2.286
195 HD11 LEU 21 HD11 LEU 21 2.817 -0.603 3.961
196 HD12 LEU 21 HD12 LEU 21 2.561 0.999 4.651
197 HD13 LEU 21 HD13 LEU 21 4.046 0.116 5.000
198 HD21 LEU 21 HD21 LEU 21 3.780 2.944 3.794
199 HD22 LEU 21 HD22 LEU 21 4.970 2.757 2.504
200 HD23 LEU 21 HD23 LEU 21 5.331 2.171 4.129
201 H ASP 22 HN ASP 22 5.025 -1.441 -0.212
202 HA ASP 22 HA ASP 22 7.345 -3.053 0.054
203 HB2 ASP 22 HB2 ASP 22 5.139 -3.989 -0.498
204 HB3 ASP 22 HB1 ASP 22 5.167 -3.152 -2.046
205 H PHE 23 HN PHE 23 6.234 -0.822 -2.444
206 HA PHE 23 HA PHE 23 8.311 -1.382 -4.299
207 HB2 PHE 23 HB2 PHE 23 6.076 -0.280 -4.792
208 HB3 PHE 23 HB1 PHE 23 6.733 1.189 -4.078
209 HD1 PHE 23 HD2 PHE 23 6.928 -1.133 -6.901
210 HD2 PHE 23 HD1 PHE 23 8.360 2.519 -5.249
211 HE1 PHE 23 HE2 PHE 23 7.892 -0.530 -9.084
212 HE2 PHE 23 HE1 PHE 23 9.325 3.128 -7.429
213 HZ PHE 23 HZ PHE 23 9.093 1.602 -9.348
214 H CYS 24 HN CYS 24 7.880 0.987 -1.741
215 HA CYS 24 HA CYS 24 10.570 2.053 -2.220
216 HB2 CYS 24 HB2 CYS 24 8.348 3.056 -0.441
217 HB3 CYS 24 HB1 CYS 24 9.876 3.875 -0.734
218 HG CYS 24 HG CYS 24 8.090 5.312 -2.193
219 H THR 25 HN THR 25 10.370 -0.521 -1.151
220 HA THR 25 HA THR 25 10.508 -0.499 1.697
221 HB THR 25 HB THR 25 9.815 -2.493 0.387
222 HG1 THR 25 HG1 THR 25 11.762 -2.485 2.381
223 HG21 THR 25 HG21 THR 25 11.547 -3.926 -0.614
224 HG22 THR 25 HG22 THR 25 12.750 -2.677 -0.297
225 HG23 THR 25 HG23 THR 25 11.436 -2.367 -1.430
226 H GLY 26 HN GLY 26 12.737 0.130 -0.810
227 HA2 GLY 26 HA2 GLY 26 15.120 -0.532 0.647
228 HA3 GLY 26 HA1 GLY 26 15.033 0.369 -0.859
229 H GLU 27 HN GLU 27 16.654 0.888 1.492
230 HA GLU 27 HA GLU 27 15.548 3.143 2.874
231 HB2 GLU 27 HB2 GLU 27 17.870 3.390 3.760
232 HB3 GLU 27 HB1 GLU 27 17.182 1.792 4.005
233 HG2 GLU 27 HG2 GLU 27 18.452 0.924 2.136
234 HG3 GLU 27 HG1 GLU 27 19.100 2.531 1.807
235 H ASP 28 HN ASP 28 17.236 2.641 -0.064
236 HA ASP 28 HA ASP 28 18.198 5.345 -0.315
237 HB2 ASP 28 HB2 ASP 28 18.968 4.672 -2.512
238 HB3 ASP 28 HB1 ASP 28 19.391 3.428 -1.344
239 H SER 29 HN SER 29 15.313 3.663 -0.899
240 HA SER 29 HA SER 29 13.248 4.340 -1.538
241 HB2 SER 29 HB2 SER 29 13.899 6.386 -0.198
242 HB3 SER 29 HB1 SER 29 14.394 7.135 -1.713
243 HG SER 29 HG SER 29 12.366 7.787 -1.625
244 H VAL 30 HN VAL 30 12.400 6.257 -3.331
245 HA VAL 30 HA VAL 30 13.866 5.793 -5.814
246 HB VAL 30 HB VAL 30 12.212 3.970 -5.660
247 HG11 VAL 30 HG11 VAL 30 10.532 5.048 -4.289
248 HG12 VAL 30 HG12 VAL 30 9.814 4.437 -5.779
249 HG13 VAL 30 HG13 VAL 30 10.146 6.160 -5.601
250 HG21 VAL 30 HG21 VAL 30 11.145 4.291 -7.844
251 HG22 VAL 30 HG22 VAL 30 12.837 4.787 -7.858
252 HG23 VAL 30 HG23 VAL 30 11.562 6.002 -7.790
253 H ASP 31 HN ASP 31 13.985 8.075 -4.512
254 HA ASP 31 HA ASP 31 11.917 9.872 -5.555
255 HB2 ASP 31 HB2 ASP 31 13.976 10.178 -3.379
256 HB3 ASP 31 HB1 ASP 31 13.093 11.557 -4.023
257 H GLY 32 HN GLY 32 14.709 8.673 -6.634
258 HA2 GLY 32 HA2 GLY 32 15.926 11.120 -7.599
259 HA3 GLY 32 HA1 GLY 32 16.441 9.478 -7.969
260 H LYS 33 HN LYS 33 13.792 11.730 -8.554
261 HA LYS 33 HA LYS 33 12.443 12.137 -10.317
262 HB2 LYS 33 HB2 LYS 33 14.506 10.651 -11.949
263 HB3 LYS 33 HB1 LYS 33 13.240 11.689 -12.583
264 HG2 LYS 33 HG2 LYS 33 15.545 12.557 -10.857
265 HG3 LYS 33 HG1 LYS 33 15.394 12.809 -12.594
266 HD2 LYS 33 HD2 LYS 33 13.497 13.909 -10.525
267 HD3 LYS 33 HD1 LYS 33 14.829 14.810 -11.244
268 HE2 LYS 33 HE2 LYS 33 13.810 14.457 -13.470
269 HE3 LYS 33 HE1 LYS 33 12.445 13.663 -12.686
270 HZ1 LYS 33 HZ1 LYS 33 13.291 16.470 -12.213
271 HZ2 LYS 33 HZ2 LYS 33 11.961 15.706 -11.509
272 HZ3 LYS 33 HZ3 LYS 33 11.984 15.993 -13.172
273 H LYS 34 HN LYS 34 10.961 10.721 -9.242
274 HA LYS 34 HA LYS 34 10.841 7.947 -10.002
275 HB2 LYS 34 HB2 LYS 34 8.874 7.848 -8.554
276 HB3 LYS 34 HB1 LYS 34 10.221 8.629 -7.744
277 HG2 LYS 34 HG2 LYS 34 9.204 10.827 -8.280
278 HG3 LYS 34 HG1 LYS 34 7.815 9.976 -8.954
279 HD2 LYS 34 HD2 LYS 34 7.327 10.673 -6.686
280 HD3 LYS 34 HD1 LYS 34 7.436 8.914 -6.757
281 HE2 LYS 34 HE2 LYS 34 9.664 8.973 -5.831
282 HE3 LYS 34 HE1 LYS 34 9.682 10.732 -5.891
283 HZ1 LYS 34 HZ1 LYS 34 7.950 9.037 -4.172
284 HZ2 LYS 34 HZ2 LYS 34 7.821 10.716 -4.294
285 HZ3 LYS 34 HZ3 LYS 34 9.234 10.023 -3.667
286 H ARG 35 HN ARG 35 10.232 10.498 -11.764
287 HA ARG 35 HA ARG 35 9.143 10.847 -13.712
288 HB2 ARG 35 HB2 ARG 35 8.343 7.945 -13.435
289 HB3 ARG 35 HB1 ARG 35 8.169 8.913 -14.893
290 HG2 ARG 35 HG2 ARG 35 10.558 9.154 -15.075
291 HG3 ARG 35 HG1 ARG 35 10.791 8.322 -13.537
292 HD2 ARG 35 HD2 ARG 35 11.235 6.808 -15.363
293 HD3 ARG 35 HD1 ARG 35 9.784 6.297 -14.505
294 HE ARG 35 HE ARG 35 8.734 7.751 -16.478
295 HH11 ARG 35 HH11 ARG 35 11.237 5.304 -16.540
296 HH12 ARG 35 HH12 ARG 35 10.844 4.760 -18.139
297 HH21 ARG 35 HH21 ARG 35 8.232 7.046 -18.596
298 HH22 ARG 35 HH22 ARG 35 9.138 5.749 -19.307
299 H GLN 36 HN GLN 36 7.881 11.385 -11.198
300 HA GLN 36 HA GLN 36 5.049 10.906 -11.657
301 HB2 GLN 36 HB2 GLN 36 5.933 10.763 -9.362
302 HB3 GLN 36 HB1 GLN 36 6.469 12.433 -9.461
303 HG2 GLN 36 HG2 GLN 36 4.078 13.084 -9.801
304 HG3 GLN 36 HG1 GLN 36 3.645 11.412 -9.443
305 HE21 GLN 36 HE21 GLN 36 4.923 14.378 -8.173
306 HE22 GLN 36 HE22 GLN 36 4.765 13.969 -6.497
Start of MODEL 2
1 H1 THR 1 HT1 THR 1 -28.318 3.538 3.145
2 H2 THR 1 HT2 THR 1 -28.037 5.188 3.358
3 H3 THR 1 HT3 THR 1 -28.035 4.149 4.691
4 HA THR 1 HA THR 1 -26.113 4.067 2.455
5 HB THR 1 HB THR 1 -25.764 6.056 3.830
6 HG1 THR 1 HG1 THR 1 -23.639 5.717 3.993
7 HG21 THR 1 HG21 THR 1 -25.197 5.876 6.204
8 HG22 THR 1 HG22 THR 1 -25.534 4.146 6.155
9 HG23 THR 1 HG23 THR 1 -26.837 5.306 5.894
10 H TRP 2 HN TRP 2 -24.564 2.483 2.586
11 HA TRP 2 HA TRP 2 -25.364 0.180 4.198
12 HB2 TRP 2 HB2 TRP 2 -23.670 0.435 1.707
13 HB3 TRP 2 HB1 TRP 2 -23.870 -1.074 2.589
14 HD1 TRP 2 HD1 TRP 2 -25.989 -2.477 2.088
15 HE1 TRP 2 HE1 TRP 2 -28.026 -2.188 0.543
16 HE3 TRP 2 HE3 TRP 2 -25.275 2.395 0.709
17 HZ2 TRP 2 HZ2 TRP 2 -29.178 -0.158 -1.043
18 HZ3 TRP 2 HZ3 TRP 2 -26.894 3.434 -0.824
19 HH2 TRP 2 HH2 TRP 2 -28.804 2.181 -1.681
20 H SER 3 HN SER 3 -23.811 -1.060 5.322
21 HA SER 3 HA SER 3 -21.815 0.560 6.604
22 HB2 SER 3 HB2 SER 3 -22.384 -2.391 6.972
23 HB3 SER 3 HB1 SER 3 -21.519 -1.331 8.087
24 HG SER 3 HG SER 3 -23.414 -0.245 8.512
25 H GLY 4 HN GLY 4 -20.735 0.803 4.392
26 HA2 GLY 4 HA2 GLY 4 -18.217 -0.223 4.395
27 HA3 GLY 4 HA1 GLY 4 -19.134 -1.414 3.483
28 H THR 5 HN THR 5 -19.597 2.079 3.550
29 HA THR 5 HA THR 5 -19.347 2.119 0.641
30 HB THR 5 HB THR 5 -20.307 4.443 0.904
31 HG1 THR 5 HG1 THR 5 -20.922 5.122 2.874
32 HG21 THR 5 HG21 THR 5 -21.723 2.540 0.317
33 HG22 THR 5 HG22 THR 5 -22.584 3.650 1.382
34 HG23 THR 5 HG23 THR 5 -21.921 2.147 2.024
35 H LYS 6 HN LYS 6 -18.333 4.129 3.402
36 HA LYS 6 HA LYS 6 -16.293 5.476 1.934
37 HB2 LYS 6 HB2 LYS 6 -16.678 5.203 4.922
38 HB3 LYS 6 HB1 LYS 6 -15.584 6.333 4.138
39 HG2 LYS 6 HG2 LYS 6 -17.491 7.444 3.082
40 HG3 LYS 6 HG1 LYS 6 -18.585 6.314 3.881
41 HD2 LYS 6 HD2 LYS 6 -16.706 8.205 5.297
42 HD3 LYS 6 HD1 LYS 6 -18.430 8.487 5.047
43 HE2 LYS 6 HE2 LYS 6 -18.935 6.461 6.333
44 HE3 LYS 6 HE1 LYS 6 -17.213 6.201 6.595
45 HZ1 LYS 6 HZ1 LYS 6 -18.736 8.575 7.516
46 HZ2 LYS 6 HZ2 LYS 6 -17.100 8.261 7.812
47 HZ3 LYS 6 HZ3 LYS 6 -18.288 7.266 8.489
48 H LYS 7 HN LYS 7 -16.489 2.592 3.850
49 HA LYS 7 HA LYS 7 -13.660 2.234 4.104
50 HB2 LYS 7 HB2 LYS 7 -16.015 0.443 4.640
51 HB3 LYS 7 HB1 LYS 7 -14.359 -0.118 4.811
52 HG2 LYS 7 HG2 LYS 7 -15.618 2.167 6.318
53 HG3 LYS 7 HG1 LYS 7 -15.286 0.553 6.952
54 HD2 LYS 7 HD2 LYS 7 -12.863 0.952 6.421
55 HD3 LYS 7 HD1 LYS 7 -13.287 2.624 6.054
56 HE2 LYS 7 HE2 LYS 7 -13.663 1.223 8.697
57 HE3 LYS 7 HE1 LYS 7 -12.438 2.433 8.324
58 HZ1 LYS 7 HZ1 LYS 7 -14.233 4.029 7.926
59 HZ2 LYS 7 HZ2 LYS 7 -14.261 3.429 9.505
60 HZ3 LYS 7 HZ3 LYS 7 -15.375 2.863 8.369
61 H ARG 8 HN ARG 8 -15.726 1.933 1.520
62 HA ARG 8 HA ARG 8 -14.741 -0.405 0.267
63 HB2 ARG 8 HB2 ARG 8 -16.812 0.963 -0.352
64 HB3 ARG 8 HB1 ARG 8 -15.715 2.066 -1.162
65 HG2 ARG 8 HG2 ARG 8 -16.719 0.495 -2.728
66 HG3 ARG 8 HG1 ARG 8 -14.970 0.276 -2.633
67 HD2 ARG 8 HD2 ARG 8 -16.246 -1.857 -2.654
68 HD3 ARG 8 HD1 ARG 8 -15.225 -1.652 -1.232
69 HE ARG 8 HE ARG 8 -17.699 -0.684 -0.507
70 HH11 ARG 8 HH11 ARG 8 -16.468 -3.740 -1.695
71 HH12 ARG 8 HH12 ARG 8 -17.617 -4.689 -0.814
72 HH21 ARG 8 HH21 ARG 8 -19.210 -1.921 0.647
73 HH22 ARG 8 HH22 ARG 8 -19.181 -3.653 0.525
74 H ALA 9 HN ALA 9 -13.962 3.017 -0.185
75 HA ALA 9 HA ALA 9 -11.696 2.602 -1.821
76 HB1 ALA 9 HB1 ALA 9 -11.168 4.934 -1.379
77 HB2 ALA 9 HB2 ALA 9 -12.318 4.961 -0.044
78 HB3 ALA 9 HB3 ALA 9 -12.892 4.745 -1.699
79 H GLN 10 HN GLN 10 -12.170 2.680 1.641
80 HA GLN 10 HA GLN 10 -9.428 2.872 2.367
81 HB2 GLN 10 HB2 GLN 10 -11.814 1.836 3.899
82 HB3 GLN 10 HB1 GLN 10 -10.216 2.061 4.594
83 HG2 GLN 10 HG2 GLN 10 -11.875 4.249 3.363
84 HG3 GLN 10 HG1 GLN 10 -11.768 3.910 5.090
85 HE21 GLN 10 HE21 GLN 10 -10.084 5.117 2.298
86 HE22 GLN 10 HE22 GLN 10 -8.785 5.862 3.158
87 H ARG 11 HN ARG 11 -11.495 0.247 1.416
88 HA ARG 11 HA ARG 11 -9.863 -1.864 2.361
89 HB2 ARG 11 HB2 ARG 11 -11.937 -2.672 1.849
90 HB3 ARG 11 HB1 ARG 11 -12.164 -1.552 0.516
91 HG2 ARG 11 HG2 ARG 11 -10.823 -2.875 -0.920
92 HG3 ARG 11 HG1 ARG 11 -10.346 -3.943 0.398
93 HD2 ARG 11 HD2 ARG 11 -13.108 -3.607 -0.773
94 HD3 ARG 11 HD1 ARG 11 -12.059 -5.015 -0.934
95 HE ARG 11 HE ARG 11 -12.486 -4.552 1.792
96 HH11 ARG 11 HH11 ARG 11 -14.261 -5.581 -1.044
97 HH12 ARG 11 HH12 ARG 11 -15.429 -6.490 -0.139
98 HH21 ARG 11 HH21 ARG 11 -14.035 -5.719 2.985
99 HH22 ARG 11 HH22 ARG 11 -15.302 -6.564 2.155
100 H ILE 12 HN ILE 12 -10.168 -0.203 -0.751
101 HA ILE 12 HA ILE 12 -8.112 -1.646 -2.041
102 HB ILE 12 HB ILE 12 -9.065 1.165 -2.651
103 HG12 ILE 12 HG12 ILE 12 -10.045 -1.478 -3.756
104 HG13 ILE 12 HG11 ILE 12 -10.913 -0.492 -2.583
105 HG21 ILE 12 HG21 ILE 12 -6.961 0.590 -3.750
106 HG22 ILE 12 HG22 ILE 12 -8.273 0.699 -4.922
107 HG23 ILE 12 HG23 ILE 12 -7.691 -0.880 -4.395
108 HD11 ILE 12 HD11 ILE 12 -11.075 1.305 -4.234
109 HD12 ILE 12 HD12 ILE 12 -11.813 -0.191 -4.809
110 HD13 ILE 12 HD13 ILE 12 -10.225 0.297 -5.405
111 H LEU 13 HN LEU 13 -8.207 1.237 -0.061
112 HA LEU 13 HA LEU 13 -5.687 2.282 -0.449
113 HB2 LEU 13 HB2 LEU 13 -7.407 3.404 0.859
114 HB3 LEU 13 HB1 LEU 13 -7.295 2.169 2.099
115 HG LEU 13 HG LEU 13 -4.936 2.875 2.517
116 HD11 LEU 13 HD11 LEU 13 -4.450 3.886 0.366
117 HD12 LEU 13 HD12 LEU 13 -4.213 5.055 1.664
118 HD13 LEU 13 HD13 LEU 13 -5.659 5.135 0.658
119 HD21 LEU 13 HD21 LEU 13 -7.051 4.999 2.829
120 HD22 LEU 13 HD22 LEU 13 -5.530 4.926 3.718
121 HD23 LEU 13 HD23 LEU 13 -6.741 3.662 3.937
122 H ILE 14 HN ILE 14 -6.673 -0.416 1.617
123 HA ILE 14 HA ILE 14 -4.309 -0.820 3.026
124 HB ILE 14 HB ILE 14 -6.192 -2.935 1.972
125 HG12 ILE 14 HG12 ILE 14 -7.336 -1.189 3.280
126 HG13 ILE 14 HG11 ILE 14 -7.327 -2.729 4.122
127 HG21 ILE 14 HG21 ILE 14 -5.384 -4.288 3.855
128 HG22 ILE 14 HG22 ILE 14 -4.225 -3.020 4.259
129 HG23 ILE 14 HG23 ILE 14 -4.088 -3.885 2.728
130 HD11 ILE 14 HD11 ILE 14 -6.904 -0.910 5.654
131 HD12 ILE 14 HD12 ILE 14 -5.528 -0.389 4.684
132 HD13 ILE 14 HD13 ILE 14 -5.478 -1.940 5.520
133 H PHE 15 HN PHE 15 -5.302 -2.066 -0.130
134 HA PHE 15 HA PHE 15 -2.922 -3.536 -0.612
135 HB2 PHE 15 HB2 PHE 15 -5.047 -2.523 -2.511
136 HB3 PHE 15 HB1 PHE 15 -3.767 -3.645 -2.952
137 HD1 PHE 15 HD1 PHE 15 -3.760 -5.925 -2.065
138 HD2 PHE 15 HD2 PHE 15 -6.936 -3.225 -1.226
139 HE1 PHE 15 HE1 PHE 15 -5.160 -7.808 -1.325
140 HE2 PHE 15 HE2 PHE 15 -8.342 -5.100 -0.482
141 HZ PHE 15 HZ PHE 15 -7.454 -7.398 -0.531
142 H LEU 16 HN LEU 16 -4.025 -0.305 -1.459
143 HA LEU 16 HA LEU 16 -1.850 0.443 -3.090
144 HB2 LEU 16 HB2 LEU 16 -3.436 2.245 -1.257
145 HB3 LEU 16 HB1 LEU 16 -2.520 2.731 -2.671
146 HG LEU 16 HG LEU 16 -5.021 1.052 -2.667
147 HD11 LEU 16 HD11 LEU 16 -6.038 2.980 -3.766
148 HD12 LEU 16 HD12 LEU 16 -4.527 3.874 -3.601
149 HD13 LEU 16 HD13 LEU 16 -5.433 3.402 -2.165
150 HD21 LEU 16 HD21 LEU 16 -4.911 1.246 -5.107
151 HD22 LEU 16 HD22 LEU 16 -3.522 0.376 -4.457
152 HD23 LEU 16 HD23 LEU 16 -3.351 2.055 -4.968
153 H LEU 17 HN LEU 17 -2.440 0.808 0.376
154 HA LEU 17 HA LEU 17 -0.126 2.121 1.140
155 HB2 LEU 17 HB2 LEU 17 -1.944 1.752 2.668
156 HB3 LEU 17 HB1 LEU 17 -1.742 0.016 2.565
157 HG LEU 17 HG LEU 17 0.465 0.240 3.675
158 HD11 LEU 17 HD11 LEU 17 0.975 2.528 3.030
159 HD12 LEU 17 HD12 LEU 17 1.025 2.344 4.784
160 HD13 LEU 17 HD13 LEU 17 -0.363 3.117 4.017
161 HD21 LEU 17 HD21 LEU 17 -1.504 -0.327 4.965
162 HD22 LEU 17 HD22 LEU 17 -1.902 1.380 5.150
163 HD23 LEU 17 HD23 LEU 17 -0.449 0.727 5.907
164 H GLU 18 HN GLU 18 -0.682 -1.389 1.095
165 HA GLU 18 HA GLU 18 1.881 -2.210 1.770
166 HB2 GLU 18 HB2 GLU 18 -0.129 -3.559 -0.037
167 HB3 GLU 18 HB1 GLU 18 1.306 -4.340 0.613
168 HG2 GLU 18 HG2 GLU 18 -0.989 -3.229 2.211
169 HG3 GLU 18 HG1 GLU 18 -0.669 -4.933 1.886
170 H PHE 19 HN PHE 19 0.553 -1.376 -1.393
171 HA PHE 19 HA PHE 19 2.831 -2.132 -2.905
172 HB2 PHE 19 HB2 PHE 19 0.610 -1.810 -3.915
173 HB3 PHE 19 HB1 PHE 19 0.685 -0.093 -3.539
174 HD1 PHE 19 HD2 PHE 19 2.333 -2.766 -5.505
175 HD2 PHE 19 HD1 PHE 19 1.681 1.409 -5.017
176 HE1 PHE 19 HE2 PHE 19 3.433 -2.344 -7.665
177 HE2 PHE 19 HE1 PHE 19 2.777 1.839 -7.177
178 HZ PHE 19 HZ PHE 19 3.656 -0.041 -8.501
179 H LEU 20 HN LEU 20 1.733 0.970 -1.589
180 HA LEU 20 HA LEU 20 3.765 2.582 -2.611
181 HB2 LEU 20 HB2 LEU 20 1.793 2.762 -0.420
182 HB3 LEU 20 HB1 LEU 20 3.155 3.857 -0.325
183 HG LEU 20 HG LEU 20 2.557 4.942 -2.354
184 HD11 LEU 20 HD11 LEU 20 0.696 4.204 -3.769
185 HD12 LEU 20 HD12 LEU 20 0.504 2.769 -2.762
186 HD13 LEU 20 HD13 LEU 20 1.980 2.998 -3.699
187 HD21 LEU 20 HD21 LEU 20 0.262 5.679 -1.893
188 HD22 LEU 20 HD22 LEU 20 1.240 5.599 -0.428
189 HD23 LEU 20 HD23 LEU 20 0.068 4.328 -0.776
190 H LEU 21 HN LEU 21 3.589 1.002 0.602
191 HA LEU 21 HA LEU 21 6.079 2.060 1.436
192 HB2 LEU 21 HB2 LEU 21 5.959 0.392 3.271
193 HB3 LEU 21 HB1 LEU 21 4.542 1.408 3.121
194 HG LEU 21 HG LEU 21 3.611 -0.624 1.740
195 HD11 LEU 21 HD11 LEU 21 4.381 -2.771 2.623
196 HD12 LEU 21 HD12 LEU 21 5.662 -1.945 3.508
197 HD13 LEU 21 HD13 LEU 21 5.660 -1.932 1.745
198 HD21 LEU 21 HD21 LEU 21 2.649 0.254 3.792
199 HD22 LEU 21 HD22 LEU 21 3.843 -0.630 4.743
200 HD23 LEU 21 HD23 LEU 21 2.640 -1.509 3.798
201 H ASP 22 HN ASP 22 5.188 -0.858 -0.245
202 HA ASP 22 HA ASP 22 7.707 -2.164 0.014
203 HB2 ASP 22 HB2 ASP 22 5.616 -3.365 -0.498
204 HB3 ASP 22 HB1 ASP 22 5.516 -2.534 -2.044
205 H PHE 23 HN PHE 23 6.323 0.124 -2.210
206 HA PHE 23 HA PHE 23 8.463 -0.060 -4.132
207 HB2 PHE 23 HB2 PHE 23 6.121 0.523 -4.749
208 HB3 PHE 23 HB1 PHE 23 6.282 2.020 -3.841
209 HD1 PHE 23 HD2 PHE 23 7.443 0.172 -6.805
210 HD2 PHE 23 HD1 PHE 23 7.377 3.908 -4.769
211 HE1 PHE 23 HE2 PHE 23 8.315 1.283 -8.820
212 HE2 PHE 23 HE1 PHE 23 8.244 5.025 -6.780
213 HZ PHE 23 HZ PHE 23 8.714 3.713 -8.809
214 H CYS 24 HN CYS 24 7.447 2.182 -1.590
215 HA CYS 24 HA CYS 24 9.363 4.182 -2.099
216 HB2 CYS 24 HB2 CYS 24 7.324 4.588 -0.801
217 HB3 CYS 24 HB1 CYS 24 7.912 3.523 0.470
218 HG CYS 24 HG CYS 24 9.259 5.284 1.765
219 H THR 25 HN THR 25 9.439 1.336 0.008
220 HA THR 25 HA THR 25 11.824 2.018 1.351
221 HB THR 25 HB THR 25 11.985 -0.504 1.754
222 HG1 THR 25 HG1 THR 25 9.316 -0.653 0.898
223 HG21 THR 25 HG21 THR 25 10.094 -0.485 3.324
224 HG22 THR 25 HG22 THR 25 9.456 0.954 2.528
225 HG23 THR 25 HG23 THR 25 10.999 1.027 3.376
226 H GLY 26 HN GLY 26 11.204 0.386 -1.698
227 HA2 GLY 26 HA2 GLY 26 14.058 -0.167 -2.021
228 HA3 GLY 26 HA1 GLY 26 12.767 -0.752 -3.064
229 H GLU 27 HN GLU 27 12.719 2.578 -2.196
230 HA GLU 27 HA GLU 27 13.089 3.479 -4.859
231 HB2 GLU 27 HB2 GLU 27 12.943 4.821 -2.180
232 HB3 GLU 27 HB1 GLU 27 13.400 5.747 -3.601
233 HG2 GLU 27 HG2 GLU 27 10.908 4.102 -3.606
234 HG3 GLU 27 HG1 GLU 27 10.932 5.697 -2.853
235 H ASP 28 HN ASP 28 15.114 4.029 -1.983
236 HA ASP 28 HA ASP 28 17.500 3.751 -3.663
237 HB2 ASP 28 HB2 ASP 28 16.973 6.148 -3.582
238 HB3 ASP 28 HB1 ASP 28 16.939 6.095 -1.826
239 H SER 29 HN SER 29 15.852 2.925 -0.909
240 HA SER 29 HA SER 29 18.289 2.559 0.689
241 HB2 SER 29 HB2 SER 29 16.628 2.295 2.600
242 HB3 SER 29 HB1 SER 29 16.744 3.903 1.887
243 HG SER 29 HG SER 29 14.821 2.040 0.971
244 H VAL 30 HN VAL 30 17.908 0.666 2.328
245 HA VAL 30 HA VAL 30 18.222 -1.564 2.499
246 HB VAL 30 HB VAL 30 15.934 -1.322 3.249
247 HG11 VAL 30 HG11 VAL 30 15.090 -1.925 0.424
248 HG12 VAL 30 HG12 VAL 30 14.867 -0.401 1.285
249 HG13 VAL 30 HG13 VAL 30 14.019 -1.852 1.823
250 HG21 VAL 30 HG21 VAL 30 16.906 -3.527 3.314
251 HG22 VAL 30 HG22 VAL 30 16.368 -3.843 1.664
252 HG23 VAL 30 HG23 VAL 30 15.182 -3.638 2.955
253 H ASP 31 HN ASP 31 19.805 -1.724 0.881
254 HA ASP 31 HA ASP 31 19.424 -2.347 -1.798
255 HB2 ASP 31 HB2 ASP 31 21.586 -3.120 0.152
256 HB3 ASP 31 HB1 ASP 31 21.636 -3.647 -1.524
257 H GLY 32 HN GLY 32 18.556 -4.025 -2.810
258 HA2 GLY 32 HA2 GLY 32 17.980 -6.446 -1.247
259 HA3 GLY 32 HA1 GLY 32 17.185 -5.975 -2.743
260 H LYS 33 HN LYS 33 19.289 -5.455 -4.380
261 HA LYS 33 HA LYS 33 20.237 -8.142 -4.911
262 HB2 LYS 33 HB2 LYS 33 20.717 -5.620 -6.510
263 HB3 LYS 33 HB1 LYS 33 20.941 -7.277 -7.057
264 HG2 LYS 33 HG2 LYS 33 18.326 -5.939 -6.383
265 HG3 LYS 33 HG1 LYS 33 18.911 -6.379 -7.989
266 HD2 LYS 33 HD2 LYS 33 18.849 -8.736 -7.380
267 HD3 LYS 33 HD1 LYS 33 18.324 -8.316 -5.751
268 HE2 LYS 33 HE2 LYS 33 16.280 -7.331 -6.670
269 HE3 LYS 33 HE1 LYS 33 16.807 -7.762 -8.296
270 HZ1 LYS 33 HZ1 LYS 33 16.734 -10.084 -7.682
271 HZ2 LYS 33 HZ2 LYS 33 15.232 -9.369 -7.393
272 HZ3 LYS 33 HZ3 LYS 33 16.277 -9.692 -6.103
273 H LYS 34 HN LYS 34 21.527 -4.957 -4.136
274 HA LYS 34 HA LYS 34 24.234 -5.998 -3.967
275 HB2 LYS 34 HB2 LYS 34 23.119 -3.227 -3.490
276 HB3 LYS 34 HB1 LYS 34 24.821 -3.646 -3.411
277 HG2 LYS 34 HG2 LYS 34 24.850 -4.203 -5.744
278 HG3 LYS 34 HG1 LYS 34 23.106 -3.969 -5.858
279 HD2 LYS 34 HD2 LYS 34 24.384 -2.054 -6.753
280 HD3 LYS 34 HD1 LYS 34 23.353 -1.606 -5.397
281 HE2 LYS 34 HE2 LYS 34 26.169 -2.371 -4.831
282 HE3 LYS 34 HE1 LYS 34 25.871 -0.801 -5.570
283 HZ1 LYS 34 HZ1 LYS 34 24.478 -0.193 -3.738
284 HZ2 LYS 34 HZ2 LYS 34 25.950 -0.745 -3.118
285 HZ3 LYS 34 HZ3 LYS 34 24.581 -1.739 -3.062
286 H ARG 35 HN ARG 35 22.409 -7.160 -2.200
287 HA ARG 35 HA ARG 35 22.912 -5.941 0.403
288 HB2 ARG 35 HB2 ARG 35 20.609 -6.659 -0.148
289 HB3 ARG 35 HB1 ARG 35 21.184 -8.310 -0.326
290 HG2 ARG 35 HG2 ARG 35 21.835 -8.335 2.032
291 HG3 ARG 35 HG1 ARG 35 21.245 -6.682 2.207
292 HD2 ARG 35 HD2 ARG 35 19.601 -9.095 1.451
293 HD3 ARG 35 HD1 ARG 35 19.593 -8.277 3.014
294 HE ARG 35 HE ARG 35 18.989 -6.443 0.949
295 HH11 ARG 35 HH11 ARG 35 17.590 -9.105 2.739
296 HH12 ARG 35 HH12 ARG 35 15.958 -8.558 2.521
297 HH21 ARG 35 HH21 ARG 35 16.846 -5.722 0.653
298 HH22 ARG 35 HH22 ARG 35 15.536 -6.622 1.340
299 H GLN 36 HN GLN 36 24.844 -6.463 1.177
300 HA GLN 36 HA GLN 36 25.451 -9.264 1.592
301 HB2 GLN 36 HB2 GLN 36 26.511 -8.740 -0.586
302 HB3 GLN 36 HB1 GLN 36 27.408 -7.438 0.180
303 HG2 GLN 36 HG2 GLN 36 28.549 -9.043 1.607
304 HG3 GLN 36 HG1 GLN 36 27.632 -10.357 0.873
305 HE21 GLN 36 HE21 GLN 36 28.123 -11.009 -1.211
306 HE22 GLN 36 HE22 GLN 36 29.602 -10.565 -1.990
Start of MODEL 3
1 H1 THR 1 HT1 THR 1 -21.618 -7.855 7.492
2 H2 THR 1 HT2 THR 1 -20.192 -7.041 7.097
3 H3 THR 1 HT3 THR 1 -20.129 -8.462 8.007
4 HA THR 1 HA THR 1 -19.472 -8.877 5.739
5 HB THR 1 HB THR 1 -22.180 -10.078 6.346
6 HG1 THR 1 HG1 THR 1 -19.685 -11.175 7.133
7 HG21 THR 1 HG21 THR 1 -21.392 -10.659 4.140
8 HG22 THR 1 HG22 THR 1 -21.226 -12.060 5.197
9 HG23 THR 1 HG23 THR 1 -19.809 -11.096 4.780
10 H TRP 2 HN TRP 2 -19.476 -7.601 4.014
11 HA TRP 2 HA TRP 2 -20.127 -6.337 2.263
12 HB2 TRP 2 HB2 TRP 2 -22.368 -8.350 2.301
13 HB3 TRP 2 HB1 TRP 2 -22.166 -7.161 1.018
14 HD1 TRP 2 HD1 TRP 2 -20.650 -10.368 2.386
15 HE1 TRP 2 HE1 TRP 2 -18.999 -11.324 0.659
16 HE3 TRP 2 HE3 TRP 2 -20.558 -6.446 -0.879
17 HZ2 TRP 2 HZ2 TRP 2 -17.808 -10.506 -1.768
18 HZ3 TRP 2 HZ3 TRP 2 -19.132 -6.608 -2.877
19 HH2 TRP 2 HH2 TRP 2 -17.787 -8.596 -3.312
20 H SER 3 HN SER 3 -20.513 -4.839 4.295
21 HA SER 3 HA SER 3 -23.017 -3.468 3.693
22 HB2 SER 3 HB2 SER 3 -22.081 -4.029 6.516
23 HB3 SER 3 HB1 SER 3 -23.494 -3.075 6.064
24 HG SER 3 HG SER 3 -23.743 -5.364 4.817
25 H GLY 4 HN GLY 4 -22.319 -1.605 2.891
26 HA2 GLY 4 HA2 GLY 4 -21.489 0.607 3.722
27 HA3 GLY 4 HA1 GLY 4 -20.069 -0.276 4.262
28 H THR 5 HN THR 5 -21.317 1.590 1.828
29 HA THR 5 HA THR 5 -20.182 0.440 -0.479
30 HB THR 5 HB THR 5 -20.249 2.896 -1.286
31 HG1 THR 5 HG1 THR 5 -21.056 4.354 0.063
32 HG21 THR 5 HG21 THR 5 -22.776 1.540 -0.335
33 HG22 THR 5 HG22 THR 5 -21.952 1.233 -1.864
34 HG23 THR 5 HG23 THR 5 -22.688 2.807 -1.559
35 H LYS 6 HN LYS 6 -19.010 2.905 1.759
36 HA LYS 6 HA LYS 6 -16.589 3.394 0.380
37 HB2 LYS 6 HB2 LYS 6 -17.418 4.015 3.210
38 HB3 LYS 6 HB1 LYS 6 -15.918 4.574 2.484
39 HG2 LYS 6 HG2 LYS 6 -17.188 5.783 0.785
40 HG3 LYS 6 HG1 LYS 6 -18.694 5.219 1.507
41 HD2 LYS 6 HD2 LYS 6 -16.700 6.718 3.162
42 HD3 LYS 6 HD1 LYS 6 -17.783 7.591 2.080
43 HE2 LYS 6 HE2 LYS 6 -18.755 7.521 4.280
44 HE3 LYS 6 HE1 LYS 6 -19.708 6.513 3.197
45 HZ1 LYS 6 HZ1 LYS 6 -18.700 4.564 4.123
46 HZ2 LYS 6 HZ2 LYS 6 -19.325 5.497 5.381
47 HZ3 LYS 6 HZ3 LYS 6 -17.660 5.488 5.083
48 H LYS 7 HN LYS 7 -17.509 0.822 2.428
49 HA LYS 7 HA LYS 7 -15.110 0.084 3.629
50 HB2 LYS 7 HB2 LYS 7 -17.321 -1.609 2.465
51 HB3 LYS 7 HB1 LYS 7 -15.963 -2.296 3.344
52 HG2 LYS 7 HG2 LYS 7 -17.787 -0.218 4.520
53 HG3 LYS 7 HG1 LYS 7 -18.081 -1.951 4.659
54 HD2 LYS 7 HD2 LYS 7 -15.951 -2.243 5.792
55 HD3 LYS 7 HD1 LYS 7 -15.592 -0.526 5.598
56 HE2 LYS 7 HE2 LYS 7 -17.959 -1.608 7.118
57 HE3 LYS 7 HE1 LYS 7 -16.427 -1.155 7.862
58 HZ1 LYS 7 HZ1 LYS 7 -18.219 0.664 6.347
59 HZ2 LYS 7 HZ2 LYS 7 -16.746 1.100 7.057
60 HZ3 LYS 7 HZ3 LYS 7 -18.042 0.623 8.029
61 H ARG 8 HN ARG 8 -16.232 -0.387 0.336
62 HA ARG 8 HA ARG 8 -14.057 -2.014 -0.507
63 HB2 ARG 8 HB2 ARG 8 -16.324 -1.849 -1.603
64 HB3 ARG 8 HB1 ARG 8 -15.858 -0.269 -2.205
65 HG2 ARG 8 HG2 ARG 8 -14.307 -2.763 -2.844
66 HG3 ARG 8 HG1 ARG 8 -15.670 -2.212 -3.814
67 HD2 ARG 8 HD2 ARG 8 -13.076 -0.765 -3.311
68 HD3 ARG 8 HD1 ARG 8 -13.643 -1.440 -4.837
69 HE ARG 8 HE ARG 8 -15.566 0.370 -4.100
70 HH11 ARG 8 HH11 ARG 8 -12.133 0.482 -4.785
71 HH12 ARG 8 HH12 ARG 8 -12.154 2.152 -5.256
72 HH21 ARG 8 HH21 ARG 8 -15.600 2.555 -4.714
73 HH22 ARG 8 HH22 ARG 8 -14.135 3.331 -5.229
74 H ALA 9 HN ALA 9 -14.721 1.451 -0.560
75 HA ALA 9 HA ALA 9 -12.462 2.112 -2.170
76 HB1 ALA 9 HB1 ALA 9 -14.459 3.521 -2.080
77 HB2 ALA 9 HB2 ALA 9 -13.005 4.421 -1.644
78 HB3 ALA 9 HB3 ALA 9 -14.123 3.886 -0.388
79 H GLN 10 HN GLN 10 -13.092 2.086 1.315
80 HA GLN 10 HA GLN 10 -10.617 3.375 1.949
81 HB2 GLN 10 HB2 GLN 10 -11.173 2.959 4.256
82 HB3 GLN 10 HB1 GLN 10 -12.596 3.539 3.407
83 HG2 GLN 10 HG2 GLN 10 -13.439 1.253 3.270
84 HG3 GLN 10 HG1 GLN 10 -12.011 0.679 4.130
85 HE21 GLN 10 HE21 GLN 10 -11.940 3.018 5.874
86 HE22 GLN 10 HE22 GLN 10 -13.216 2.794 7.017
87 H ARG 11 HN ARG 11 -11.641 0.065 1.544
88 HA ARG 11 HA ARG 11 -9.442 -1.154 2.839
89 HB2 ARG 11 HB2 ARG 11 -10.129 -3.175 1.911
90 HB3 ARG 11 HB1 ARG 11 -11.628 -2.256 1.919
91 HG2 ARG 11 HG2 ARG 11 -11.438 -1.793 -0.417
92 HG3 ARG 11 HG1 ARG 11 -9.816 -2.484 -0.472
93 HD2 ARG 11 HD2 ARG 11 -11.374 -4.062 -1.391
94 HD3 ARG 11 HD1 ARG 11 -10.781 -4.678 0.151
95 HE ARG 11 HE ARG 11 -12.981 -3.609 1.015
96 HH11 ARG 11 HH11 ARG 11 -12.522 -5.286 -2.028
97 HH12 ARG 11 HH12 ARG 11 -14.174 -5.806 -2.138
98 HH21 ARG 11 HH21 ARG 11 -15.143 -4.328 0.900
99 HH22 ARG 11 HH22 ARG 11 -15.664 -5.264 -0.466
100 H ILE 12 HN ILE 12 -9.844 0.412 -0.209
101 HA ILE 12 HA ILE 12 -7.649 -0.660 -1.604
102 HB ILE 12 HB ILE 12 -8.963 2.048 -1.868
103 HG12 ILE 12 HG12 ILE 12 -10.506 0.213 -2.272
104 HG13 ILE 12 HG11 ILE 12 -10.116 1.007 -3.793
105 HG21 ILE 12 HG21 ILE 12 -7.095 0.640 -3.774
106 HG22 ILE 12 HG22 ILE 12 -6.733 2.095 -2.845
107 HG23 ILE 12 HG23 ILE 12 -7.965 2.139 -4.106
108 HD11 ILE 12 HD11 ILE 12 -8.959 -1.589 -2.800
109 HD12 ILE 12 HD12 ILE 12 -8.545 -0.794 -4.319
110 HD13 ILE 12 HD13 ILE 12 -10.181 -1.399 -4.055
111 H LEU 13 HN LEU 13 -7.920 1.862 0.806
112 HA LEU 13 HA LEU 13 -5.436 3.076 0.526
113 HB2 LEU 13 HB2 LEU 13 -7.168 3.975 1.976
114 HB3 LEU 13 HB1 LEU 13 -7.049 2.575 3.023
115 HG LEU 13 HG LEU 13 -4.745 3.239 3.626
116 HD11 LEU 13 HD11 LEU 13 -4.146 4.450 1.611
117 HD12 LEU 13 HD12 LEU 13 -3.954 5.480 3.031
118 HD13 LEU 13 HD13 LEU 13 -5.350 5.685 1.975
119 HD21 LEU 13 HD21 LEU 13 -6.839 5.365 4.054
120 HD22 LEU 13 HD22 LEU 13 -5.368 5.164 5.004
121 HD23 LEU 13 HD23 LEU 13 -6.612 3.915 5.031
122 H ILE 14 HN ILE 14 -6.375 0.093 2.108
123 HA ILE 14 HA ILE 14 -3.933 -0.462 3.413
124 HB ILE 14 HB ILE 14 -5.919 -2.462 2.309
125 HG12 ILE 14 HG12 ILE 14 -5.850 -1.187 5.056
126 HG13 ILE 14 HG11 ILE 14 -6.965 -0.727 3.773
127 HG21 ILE 14 HG21 ILE 14 -3.905 -2.681 4.547
128 HG22 ILE 14 HG22 ILE 14 -3.794 -3.453 2.966
129 HG23 ILE 14 HG23 ILE 14 -5.071 -3.920 4.090
130 HD11 ILE 14 HD11 ILE 14 -7.939 -2.953 3.808
131 HD12 ILE 14 HD12 ILE 14 -8.010 -2.204 5.403
132 HD13 ILE 14 HD13 ILE 14 -6.800 -3.440 5.063
133 H PHE 15 HN PHE 15 -5.208 -1.325 0.230
134 HA PHE 15 HA PHE 15 -2.975 -2.824 -0.625
135 HB2 PHE 15 HB2 PHE 15 -5.119 -1.381 -2.196
136 HB3 PHE 15 HB1 PHE 15 -3.917 -2.441 -2.924
137 HD1 PHE 15 HD1 PHE 15 -6.839 -2.298 -0.704
138 HD2 PHE 15 HD2 PHE 15 -4.087 -4.812 -2.752
139 HE1 PHE 15 HE1 PHE 15 -8.279 -4.233 -0.247
140 HE2 PHE 15 HE2 PHE 15 -5.524 -6.759 -2.297
141 HZ PHE 15 HZ PHE 15 -7.625 -6.469 -1.043
142 H LEU 16 HN LEU 16 -3.873 0.585 -1.039
143 HA LEU 16 HA LEU 16 -1.711 1.398 -2.619
144 HB2 LEU 16 HB2 LEU 16 -3.031 3.005 -0.428
145 HB3 LEU 16 HB1 LEU 16 -2.106 3.642 -1.772
146 HG LEU 16 HG LEU 16 -4.759 2.232 -1.973
147 HD11 LEU 16 HD11 LEU 16 -4.929 4.464 -0.995
148 HD12 LEU 16 HD12 LEU 16 -5.624 4.421 -2.615
149 HD13 LEU 16 HD13 LEU 16 -4.032 5.133 -2.357
150 HD21 LEU 16 HD21 LEU 16 -4.694 2.920 -4.331
151 HD22 LEU 16 HD22 LEU 16 -3.387 1.805 -3.931
152 HD23 LEU 16 HD23 LEU 16 -3.055 3.529 -4.097
153 H LEU 17 HN LEU 17 -2.086 1.340 0.895
154 HA LEU 17 HA LEU 17 0.403 2.304 1.636
155 HB2 LEU 17 HB2 LEU 17 -1.378 1.964 3.227
156 HB3 LEU 17 HB1 LEU 17 -1.335 0.232 2.962
157 HG LEU 17 HG LEU 17 0.905 0.133 3.962
158 HD11 LEU 17 HD11 LEU 17 1.688 2.356 3.386
159 HD12 LEU 17 HD12 LEU 17 1.799 2.093 5.126
160 HD13 LEU 17 HD13 LEU 17 0.492 3.075 4.464
161 HD21 LEU 17 HD21 LEU 17 -1.152 1.525 5.665
162 HD22 LEU 17 HD22 LEU 17 0.215 0.583 6.261
163 HD23 LEU 17 HD23 LEU 17 -1.070 -0.205 5.345
164 H GLU 18 HN GLU 18 -0.539 -1.123 1.281
165 HA GLU 18 HA GLU 18 2.007 -2.177 1.743
166 HB2 GLU 18 HB2 GLU 18 -0.325 -3.287 0.186
167 HB3 GLU 18 HB1 GLU 18 1.135 -4.208 0.521
168 HG2 GLU 18 HG2 GLU 18 0.742 -3.899 2.933
169 HG3 GLU 18 HG1 GLU 18 -0.762 -3.063 2.554
170 H PHE 19 HN PHE 19 0.528 -1.010 -1.234
171 HA PHE 19 HA PHE 19 2.581 -1.930 -2.974
172 HB2 PHE 19 HB2 PHE 19 0.319 -1.272 -3.757
173 HB3 PHE 19 HB1 PHE 19 0.684 0.401 -3.348
174 HD1 PHE 19 HD2 PHE 19 1.464 -2.371 -5.628
175 HD2 PHE 19 HD1 PHE 19 2.052 1.752 -4.766
176 HE1 PHE 19 HE2 PHE 19 2.424 -2.046 -7.868
177 HE2 PHE 19 HE1 PHE 19 3.013 2.085 -7.006
178 HZ PHE 19 HZ PHE 19 3.202 0.185 -8.559
179 H LEU 20 HN LEU 20 1.959 1.178 -1.380
180 HA LEU 20 HA LEU 20 4.149 2.583 -2.409
181 HB2 LEU 20 HB2 LEU 20 2.359 2.851 -0.061
182 HB3 LEU 20 HB1 LEU 20 3.861 3.750 -0.017
183 HG LEU 20 HG LEU 20 3.261 5.069 -1.882
184 HD11 LEU 20 HD11 LEU 20 1.274 4.677 -3.247
185 HD12 LEU 20 HD12 LEU 20 0.940 3.200 -2.343
186 HD13 LEU 20 HD13 LEU 20 2.392 3.316 -3.337
187 HD21 LEU 20 HD21 LEU 20 2.128 5.689 0.175
188 HD22 LEU 20 HD22 LEU 20 0.793 4.605 -0.221
189 HD23 LEU 20 HD23 LEU 20 1.106 6.022 -1.225
190 H LEU 21 HN LEU 21 3.877 0.549 0.478
191 HA LEU 21 HA LEU 21 6.529 1.012 1.393
192 HB2 LEU 21 HB2 LEU 21 4.811 -1.418 1.892
193 HB3 LEU 21 HB1 LEU 21 6.168 -0.871 2.861
194 HG LEU 21 HG LEU 21 3.546 0.575 2.533
195 HD11 LEU 21 HD11 LEU 21 3.317 -1.442 3.855
196 HD12 LEU 21 HD12 LEU 21 3.192 -0.016 4.884
197 HD13 LEU 21 HD13 LEU 21 4.681 -0.960 4.864
198 HD21 LEU 21 HD21 LEU 21 5.377 2.134 2.861
199 HD22 LEU 21 HD22 LEU 21 5.942 1.208 4.251
200 HD23 LEU 21 HD23 LEU 21 4.389 2.040 4.319
201 H ASP 22 HN ASP 22 5.021 -1.448 -0.616
202 HA ASP 22 HA ASP 22 7.261 -3.103 -0.987
203 HB2 ASP 22 HB2 ASP 22 4.914 -3.680 -1.637
204 HB3 ASP 22 HB1 ASP 22 5.061 -2.567 -2.992
205 H PHE 23 HN PHE 23 6.051 -0.368 -2.890
206 HA PHE 23 HA PHE 23 8.127 -0.304 -4.783
207 HB2 PHE 23 HB2 PHE 23 6.056 0.921 -5.127
208 HB3 PHE 23 HB1 PHE 23 6.372 1.920 -3.714
209 HD1 PHE 23 HD1 PHE 23 7.697 1.073 -7.076
210 HD2 PHE 23 HD2 PHE 23 7.526 3.927 -3.926
211 HE1 PHE 23 HE1 PHE 23 8.845 2.713 -8.505
212 HE2 PHE 23 HE2 PHE 23 8.675 5.572 -5.350
213 HZ PHE 23 HZ PHE 23 9.336 4.965 -7.643
214 H CYS 24 HN CYS 24 7.777 1.217 -1.623
215 HA CYS 24 HA CYS 24 9.940 2.932 -1.620
216 HB2 CYS 24 HB2 CYS 24 8.268 2.863 0.165
217 HB3 CYS 24 HB1 CYS 24 8.857 1.287 0.676
218 HG CYS 24 HG CYS 24 10.557 4.249 0.896
219 H THR 25 HN THR 25 9.888 -0.537 -0.900
220 HA THR 25 HA THR 25 12.779 -0.490 -0.497
221 HB THR 25 HB THR 25 11.571 -1.744 1.153
222 HG1 THR 25 HG1 THR 25 12.648 -3.792 -0.467
223 HG21 THR 25 HG21 THR 25 9.557 -2.265 -0.116
224 HG22 THR 25 HG22 THR 25 10.237 -3.723 0.606
225 HG23 THR 25 HG23 THR 25 10.466 -3.398 -1.113
226 H GLY 26 HN GLY 26 10.374 -1.674 -2.753
227 HA2 GLY 26 HA2 GLY 26 12.561 -2.750 -4.417
228 HA3 GLY 26 HA1 GLY 26 10.962 -3.462 -4.349
229 H GLU 27 HN GLU 27 12.612 -0.432 -5.166
230 HA GLU 27 HA GLU 27 10.549 0.394 -6.981
231 HB2 GLU 27 HB2 GLU 27 13.380 1.350 -6.538
232 HB3 GLU 27 HB1 GLU 27 12.290 2.073 -7.712
233 HG2 GLU 27 HG2 GLU 27 10.790 2.767 -5.989
234 HG3 GLU 27 HG1 GLU 27 11.703 1.878 -4.772
235 H ASP 28 HN ASP 28 13.255 -1.682 -7.103
236 HA ASP 28 HA ASP 28 12.927 -1.973 -10.007
237 HB2 ASP 28 HB2 ASP 28 14.952 -0.719 -9.775
238 HB3 ASP 28 HB1 ASP 28 15.519 -1.755 -8.471
239 H SER 29 HN SER 29 14.748 -3.469 -7.334
240 HA SER 29 HA SER 29 14.380 -6.068 -8.554
241 HB2 SER 29 HB2 SER 29 15.818 -5.310 -6.001
242 HB3 SER 29 HB1 SER 29 15.936 -6.853 -6.850
243 HG SER 29 HG SER 29 16.449 -4.715 -8.479
244 H VAL 30 HN VAL 30 13.574 -7.908 -7.372
245 HA VAL 30 HA VAL 30 11.909 -9.013 -6.321
246 HB VAL 30 HB VAL 30 12.183 -6.876 -4.210
247 HG11 VAL 30 HG11 VAL 30 10.188 -8.274 -3.952
248 HG12 VAL 30 HG12 VAL 30 11.357 -8.589 -2.671
249 HG13 VAL 30 HG13 VAL 30 11.193 -9.721 -4.013
250 HG21 VAL 30 HG21 VAL 30 14.353 -7.871 -4.722
251 HG22 VAL 30 HG22 VAL 30 13.675 -9.481 -4.481
252 HG23 VAL 30 HG23 VAL 30 13.791 -8.361 -3.124
253 H ASP 31 HN ASP 31 10.613 -8.211 -8.146
254 HA ASP 31 HA ASP 31 8.338 -6.635 -7.188
255 HB2 ASP 31 HB2 ASP 31 9.778 -5.097 -8.465
256 HB3 ASP 31 HB1 ASP 31 9.725 -6.189 -9.843
257 H GLY 32 HN GLY 32 7.486 -8.816 -7.002
258 HA2 GLY 32 HA2 GLY 32 6.265 -9.611 -9.567
259 HA3 GLY 32 HA1 GLY 32 6.912 -10.826 -8.474
260 H LYS 33 HN LYS 33 6.122 -10.289 -6.089
261 HA LYS 33 HA LYS 33 4.424 -10.387 -4.599
262 HB2 LYS 33 HB2 LYS 33 3.053 -8.510 -6.528
263 HB3 LYS 33 HB1 LYS 33 2.493 -8.862 -4.904
264 HG2 LYS 33 HG2 LYS 33 3.572 -6.836 -4.659
265 HG3 LYS 33 HG1 LYS 33 4.800 -7.994 -4.153
266 HD2 LYS 33 HD2 LYS 33 5.945 -6.493 -5.534
267 HD3 LYS 33 HD1 LYS 33 5.639 -7.888 -6.566
268 HE2 LYS 33 HE2 LYS 33 3.976 -5.373 -6.513
269 HE3 LYS 33 HE1 LYS 33 5.235 -5.717 -7.690
270 HZ1 LYS 33 HZ1 LYS 33 2.648 -7.111 -7.334
271 HZ2 LYS 33 HZ2 LYS 33 3.895 -7.744 -8.278
272 HZ3 LYS 33 HZ3 LYS 33 3.191 -6.262 -8.690
273 H LYS 34 HN LYS 34 4.456 -12.635 -5.793
274 HA LYS 34 HA LYS 34 2.139 -13.257 -7.338
275 HB2 LYS 34 HB2 LYS 34 4.011 -15.113 -5.863
276 HB3 LYS 34 HB1 LYS 34 2.878 -15.566 -7.119
277 HG2 LYS 34 HG2 LYS 34 5.281 -13.792 -7.455
278 HG3 LYS 34 HG1 LYS 34 5.134 -15.464 -7.993
279 HD2 LYS 34 HD2 LYS 34 3.462 -13.145 -8.966
280 HD3 LYS 34 HD1 LYS 34 4.814 -13.871 -9.835
281 HE2 LYS 34 HE2 LYS 34 3.591 -16.019 -9.869
282 HE3 LYS 34 HE1 LYS 34 2.225 -15.230 -9.085
283 HZ1 LYS 34 HZ1 LYS 34 1.936 -15.376 -11.481
284 HZ2 LYS 34 HZ2 LYS 34 3.351 -14.487 -11.727
285 HZ3 LYS 34 HZ3 LYS 34 2.018 -13.766 -10.981
286 H ARG 35 HN ARG 35 0.190 -13.115 -6.437
287 HA ARG 35 HA ARG 35 -0.277 -14.517 -3.918
288 HB2 ARG 35 HB2 ARG 35 0.022 -12.187 -3.275
289 HB3 ARG 35 HB1 ARG 35 -1.145 -11.676 -4.485
290 HG2 ARG 35 HG2 ARG 35 -2.108 -11.651 -2.249
291 HG3 ARG 35 HG1 ARG 35 -2.922 -12.825 -3.283
292 HD2 ARG 35 HD2 ARG 35 -2.544 -13.740 -1.059
293 HD3 ARG 35 HD1 ARG 35 -1.616 -14.625 -2.268
294 HE ARG 35 HE ARG 35 -0.260 -12.482 -0.824
295 HH11 ARG 35 HH11 ARG 35 -0.794 -15.919 -1.237
296 HH12 ARG 35 HH12 ARG 35 0.646 -16.370 -0.379
297 HH21 ARG 35 HH21 ARG 35 1.624 -13.078 0.310
298 HH22 ARG 35 HH22 ARG 35 2.031 -14.756 0.482
299 H GLN 36 HN GLN 36 -1.756 -15.976 -4.334
300 HA GLN 36 HA GLN 36 -4.086 -15.201 -5.937
301 HB2 GLN 36 HB2 GLN 36 -4.140 -17.643 -6.704
302 HB3 GLN 36 HB1 GLN 36 -2.935 -16.595 -7.438
303 HG2 GLN 36 HG2 GLN 36 -1.213 -17.515 -6.018
304 HG3 GLN 36 HG1 GLN 36 -2.403 -18.499 -5.168
305 HE21 GLN 36 HE21 GLN 36 -1.370 -20.406 -5.695
306 HE22 GLN 36 HE22 GLN 36 -1.386 -21.063 -7.293
Start of MODEL 4
1 H1 THR 1 HT1 THR 1 -29.385 -1.027 5.171
2 H2 THR 1 HT2 THR 1 -29.294 -2.579 5.831
3 H3 THR 1 HT3 THR 1 -30.214 -2.306 4.439
4 HA THR 1 HA THR 1 -28.140 -3.386 3.900
5 HB THR 1 HB THR 1 -29.178 -1.773 2.298
6 HG1 THR 1 HG1 THR 1 -27.511 -2.024 0.977
7 HG21 THR 1 HG21 THR 1 -27.179 0.169 3.458
8 HG22 THR 1 HG22 THR 1 -28.935 0.285 3.572
9 HG23 THR 1 HG23 THR 1 -28.141 0.436 2.005
10 H TRP 2 HN TRP 2 -25.865 -3.373 3.918
11 HA TRP 2 HA TRP 2 -24.713 -2.272 6.282
12 HB2 TRP 2 HB2 TRP 2 -24.116 -4.473 5.058
13 HB3 TRP 2 HB1 TRP 2 -23.134 -3.452 4.013
14 HD1 TRP 2 HD1 TRP 2 -23.310 -4.804 7.573
15 HE1 TRP 2 HE1 TRP 2 -21.032 -4.438 8.716
16 HE3 TRP 2 HE3 TRP 2 -21.081 -1.929 3.999
17 HZ2 TRP 2 HZ2 TRP 2 -18.606 -3.103 8.160
18 HZ3 TRP 2 HZ3 TRP 2 -18.774 -1.150 4.372
19 HH2 TRP 2 HH2 TRP 2 -17.567 -1.726 6.414
20 H SER 3 HN SER 3 -23.971 -0.295 6.515
21 HA SER 3 HA SER 3 -23.654 1.395 4.188
22 HB2 SER 3 HB2 SER 3 -23.454 3.200 5.962
23 HB3 SER 3 HB1 SER 3 -24.987 2.328 5.928
24 HG SER 3 HG SER 3 -22.805 1.911 7.704
25 H GLY 4 HN GLY 4 -21.796 1.938 3.350
26 HA2 GLY 4 HA2 GLY 4 -19.405 2.196 4.972
27 HA3 GLY 4 HA1 GLY 4 -19.351 0.937 3.743
28 H THR 5 HN THR 5 -19.891 4.381 4.242
29 HA THR 5 HA THR 5 -20.121 5.155 1.579
30 HB THR 5 HB THR 5 -19.317 7.425 2.472
31 HG1 THR 5 HG1 THR 5 -18.812 7.563 4.557
32 HG21 THR 5 HG21 THR 5 -21.416 7.786 3.691
33 HG22 THR 5 HG22 THR 5 -21.649 6.043 3.804
34 HG23 THR 5 HG23 THR 5 -21.678 6.833 2.230
35 H LYS 6 HN LYS 6 -17.214 5.317 3.653
36 HA LYS 6 HA LYS 6 -15.613 5.380 1.183
37 HB2 LYS 6 HB2 LYS 6 -14.877 6.352 3.947
38 HB3 LYS 6 HB1 LYS 6 -13.848 6.432 2.524
39 HG2 LYS 6 HG2 LYS 6 -15.370 7.962 1.454
40 HG3 LYS 6 HG1 LYS 6 -16.512 7.804 2.793
41 HD2 LYS 6 HD2 LYS 6 -15.165 9.880 2.905
42 HD3 LYS 6 HD1 LYS 6 -14.942 8.835 4.307
43 HE2 LYS 6 HE2 LYS 6 -12.863 7.986 3.350
44 HE3 LYS 6 HE1 LYS 6 -13.091 9.011 1.935
45 HZ1 LYS 6 HZ1 LYS 6 -12.707 9.954 4.724
46 HZ2 LYS 6 HZ2 LYS 6 -12.941 10.949 3.374
47 HZ3 LYS 6 HZ3 LYS 6 -11.547 9.999 3.493
48 H LYS 7 HN LYS 7 -16.595 3.290 3.511
49 HA LYS 7 HA LYS 7 -14.195 2.126 4.402
50 HB2 LYS 7 HB2 LYS 7 -16.980 0.987 4.218
51 HB3 LYS 7 HB1 LYS 7 -15.633 0.127 4.949
52 HG2 LYS 7 HG2 LYS 7 -15.370 2.144 6.473
53 HG3 LYS 7 HG1 LYS 7 -16.952 2.655 5.879
54 HD2 LYS 7 HD2 LYS 7 -17.933 0.561 6.647
55 HD3 LYS 7 HD1 LYS 7 -16.352 0.009 7.202
56 HE2 LYS 7 HE2 LYS 7 -16.288 1.979 8.732
57 HE3 LYS 7 HE1 LYS 7 -17.945 2.340 8.257
58 HZ1 LYS 7 HZ1 LYS 7 -18.591 0.145 9.093
59 HZ2 LYS 7 HZ2 LYS 7 -17.924 1.109 10.308
60 HZ3 LYS 7 HZ3 LYS 7 -17.008 -0.130 9.614
61 H ARG 8 HN ARG 8 -16.099 1.565 1.492
62 HA ARG 8 HA ARG 8 -14.626 -0.820 0.811
63 HB2 ARG 8 HB2 ARG 8 -16.622 0.838 -0.723
64 HB3 ARG 8 HB1 ARG 8 -15.785 -0.523 -1.436
65 HG2 ARG 8 HG2 ARG 8 -17.818 -1.410 -0.782
66 HG3 ARG 8 HG1 ARG 8 -16.726 -1.882 0.519
67 HD2 ARG 8 HD2 ARG 8 -17.536 -0.077 1.905
68 HD3 ARG 8 HD1 ARG 8 -18.542 0.521 0.587
69 HE ARG 8 HE ARG 8 -18.961 -2.143 1.774
70 HH11 ARG 8 HH11 ARG 8 -20.171 0.995 0.794
71 HH12 ARG 8 HH12 ARG 8 -21.833 0.579 1.069
72 HH21 ARG 8 HH21 ARG 8 -21.134 -2.698 2.131
73 HH22 ARG 8 HH22 ARG 8 -22.384 -1.526 1.853
74 H ALA 9 HN ALA 9 -14.281 2.565 0.347
75 HA ALA 9 HA ALA 9 -12.414 2.329 -1.844
76 HB1 ALA 9 HB1 ALA 9 -12.129 4.743 -1.588
77 HB2 ALA 9 HB2 ALA 9 -13.086 4.707 -0.108
78 HB3 ALA 9 HB3 ALA 9 -13.836 4.312 -1.654
79 H GLN 10 HN GLN 10 -12.299 3.010 1.625
80 HA GLN 10 HA GLN 10 -9.488 3.408 1.697
81 HB2 GLN 10 HB2 GLN 10 -11.467 2.826 3.898
82 HB3 GLN 10 HB1 GLN 10 -9.780 3.246 4.170
83 HG2 GLN 10 HG2 GLN 10 -10.145 5.384 3.026
84 HG3 GLN 10 HG1 GLN 10 -11.843 4.968 2.817
85 HE21 GLN 10 HE21 GLN 10 -10.617 7.196 4.213
86 HE22 GLN 10 HE22 GLN 10 -11.187 7.118 5.844
87 H ARG 11 HN ARG 11 -11.475 0.571 1.786
88 HA ARG 11 HA ARG 11 -9.476 -1.119 2.924
89 HB2 ARG 11 HB2 ARG 11 -10.853 -2.968 2.327
90 HB3 ARG 11 HB1 ARG 11 -11.926 -1.678 2.845
91 HG2 ARG 11 HG2 ARG 11 -12.420 -1.149 0.517
92 HG3 ARG 11 HG1 ARG 11 -11.346 -2.449 -0.005
93 HD2 ARG 11 HD2 ARG 11 -12.742 -4.077 1.165
94 HD3 ARG 11 HD1 ARG 11 -13.808 -2.782 1.705
95 HE ARG 11 HE ARG 11 -13.617 -2.725 -1.102
96 HH11 ARG 11 HH11 ARG 11 -15.000 -4.643 1.484
97 HH12 ARG 11 HH12 ARG 11 -16.282 -5.271 0.500
98 HH21 ARG 11 HH21 ARG 11 -15.311 -3.525 -2.391
99 HH22 ARG 11 HH22 ARG 11 -16.462 -4.633 -1.710
100 H ILE 12 HN ILE 12 -10.089 0.187 -0.211
101 HA ILE 12 HA ILE 12 -8.323 -1.604 -1.613
102 HB ILE 12 HB ILE 12 -9.436 1.085 -2.445
103 HG12 ILE 12 HG12 ILE 12 -10.315 -1.720 -3.171
104 HG13 ILE 12 HG11 ILE 12 -11.164 -0.640 -2.072
105 HG21 ILE 12 HG21 ILE 12 -7.404 0.559 -3.668
106 HG22 ILE 12 HG22 ILE 12 -8.808 0.415 -4.724
107 HG23 ILE 12 HG23 ILE 12 -8.038 -1.034 -4.077
108 HD11 ILE 12 HD11 ILE 12 -10.698 -0.151 -5.004
109 HD12 ILE 12 HD12 ILE 12 -11.570 0.913 -3.902
110 HD13 ILE 12 HD13 ILE 12 -12.205 -0.691 -4.268
111 H LEU 13 HN LEU 13 -8.150 1.548 -0.084
112 HA LEU 13 HA LEU 13 -5.632 2.360 -0.917
113 HB2 LEU 13 HB2 LEU 13 -6.984 2.825 1.738
114 HB3 LEU 13 HB1 LEU 13 -5.556 3.679 1.189
115 HG LEU 13 HG LEU 13 -8.294 3.801 -0.082
116 HD11 LEU 13 HD11 LEU 13 -6.728 5.856 1.471
117 HD12 LEU 13 HD12 LEU 13 -8.153 4.992 2.042
118 HD13 LEU 13 HD13 LEU 13 -8.288 6.115 0.691
119 HD21 LEU 13 HD21 LEU 13 -5.704 5.156 -0.818
120 HD22 LEU 13 HD22 LEU 13 -7.285 5.605 -1.455
121 HD23 LEU 13 HD23 LEU 13 -6.622 4.007 -1.793
122 H ILE 14 HN ILE 14 -6.554 -0.102 1.323
123 HA ILE 14 HA ILE 14 -4.154 -0.356 2.780
124 HB ILE 14 HB ILE 14 -6.132 -2.528 2.062
125 HG12 ILE 14 HG12 ILE 14 -6.004 -0.780 4.531
126 HG13 ILE 14 HG11 ILE 14 -7.137 -0.549 3.204
127 HG21 ILE 14 HG21 ILE 14 -4.078 -2.370 4.270
128 HG22 ILE 14 HG22 ILE 14 -4.018 -3.428 2.861
129 HG23 ILE 14 HG23 ILE 14 -5.276 -3.648 4.076
130 HD11 ILE 14 HD11 ILE 14 -8.135 -2.711 3.657
131 HD12 ILE 14 HD12 ILE 14 -8.159 -1.693 5.097
132 HD13 ILE 14 HD13 ILE 14 -6.972 -2.990 4.953
133 H PHE 15 HN PHE 15 -5.295 -1.950 -0.181
134 HA PHE 15 HA PHE 15 -3.023 -3.572 -0.582
135 HB2 PHE 15 HB2 PHE 15 -5.001 -2.472 -2.594
136 HB3 PHE 15 HB1 PHE 15 -3.831 -3.744 -2.927
137 HD1 PHE 15 HD2 PHE 15 -6.881 -2.882 -1.074
138 HD2 PHE 15 HD1 PHE 15 -4.192 -5.981 -2.192
139 HE1 PHE 15 HE2 PHE 15 -8.500 -4.558 -0.294
140 HE2 PHE 15 HE1 PHE 15 -5.808 -7.665 -1.414
141 HZ PHE 15 HZ PHE 15 -7.965 -6.955 -0.465
142 H LEU 16 HN LEU 16 -3.885 -0.340 -1.680
143 HA LEU 16 HA LEU 16 -1.600 0.121 -3.276
144 HB2 LEU 16 HB2 LEU 16 -3.147 2.206 -1.742
145 HB3 LEU 16 HB1 LEU 16 -2.202 2.442 -3.200
146 HG LEU 16 HG LEU 16 -4.789 0.907 -2.987
147 HD11 LEU 16 HD11 LEU 16 -4.145 3.513 -4.353
148 HD12 LEU 16 HD12 LEU 16 -5.034 3.342 -2.841
149 HD13 LEU 16 HD13 LEU 16 -5.710 2.700 -4.339
150 HD21 LEU 16 HD21 LEU 16 -4.655 0.715 -5.422
151 HD22 LEU 16 HD22 LEU 16 -3.302 -0.100 -4.638
152 HD23 LEU 16 HD23 LEU 16 -3.064 1.474 -5.397
153 H LEU 17 HN LEU 17 -2.311 0.648 0.126
154 HA LEU 17 HA LEU 17 0.026 1.973 0.887
155 HB2 LEU 17 HB2 LEU 17 -1.903 1.781 2.341
156 HB3 LEU 17 HB1 LEU 17 -1.712 0.041 2.418
157 HG LEU 17 HG LEU 17 0.408 0.325 3.624
158 HD11 LEU 17 HD11 LEU 17 1.013 2.557 4.466
159 HD12 LEU 17 HD12 LEU 17 -0.252 3.258 3.458
160 HD13 LEU 17 HD13 LEU 17 1.118 2.437 2.710
161 HD21 LEU 17 HD21 LEU 17 -1.679 0.085 4.867
162 HD22 LEU 17 HD22 LEU 17 -1.908 1.833 4.830
163 HD23 LEU 17 HD23 LEU 17 -0.551 1.141 5.721
164 H GLU 18 HN GLU 18 -0.709 -1.501 0.904
165 HA GLU 18 HA GLU 18 1.809 -2.384 1.767
166 HB2 GLU 18 HB2 GLU 18 -0.137 -3.838 -0.031
167 HB3 GLU 18 HB1 GLU 18 1.180 -4.575 0.870
168 HG2 GLU 18 HG2 GLU 18 0.042 -3.639 2.953
169 HG3 GLU 18 HG1 GLU 18 -1.355 -3.367 1.913
170 H PHE 19 HN PHE 19 0.685 -1.350 -1.345
171 HA PHE 19 HA PHE 19 2.945 -2.338 -2.805
172 HB2 PHE 19 HB2 PHE 19 0.771 -1.875 -3.893
173 HB3 PHE 19 HB1 PHE 19 0.965 -0.164 -3.531
174 HD1 PHE 19 HD1 PHE 19 2.170 -2.959 -5.575
175 HD2 PHE 19 HD2 PHE 19 2.436 1.218 -4.814
176 HE1 PHE 19 HE1 PHE 19 3.373 -2.652 -7.698
177 HE2 PHE 19 HE2 PHE 19 3.639 1.533 -6.934
178 HZ PHE 19 HZ PHE 19 4.110 -0.405 -8.380
179 H LEU 20 HN LEU 20 1.959 0.799 -1.482
180 HA LEU 20 HA LEU 20 4.115 2.298 -2.452
181 HB2 LEU 20 HB2 LEU 20 2.422 2.747 -0.000
182 HB3 LEU 20 HB1 LEU 20 3.496 3.938 -0.708
183 HG LEU 20 HG LEU 20 1.115 2.732 -2.118
184 HD11 LEU 20 HD11 LEU 20 0.058 4.910 -1.762
185 HD12 LEU 20 HD12 LEU 20 1.436 5.412 -0.783
186 HD13 LEU 20 HD13 LEU 20 0.405 4.089 -0.239
187 HD21 LEU 20 HD21 LEU 20 1.473 4.566 -3.719
188 HD22 LEU 20 HD22 LEU 20 2.841 3.458 -3.661
189 HD23 LEU 20 HD23 LEU 20 2.939 5.023 -2.851
190 H LEU 21 HN LEU 21 3.781 0.449 0.560
191 HA LEU 21 HA LEU 21 6.165 1.505 1.701
192 HB2 LEU 21 HB2 LEU 21 5.965 -0.318 3.353
193 HB3 LEU 21 HB1 LEU 21 4.521 0.655 3.186
194 HG LEU 21 HG LEU 21 3.718 -1.240 1.608
195 HD11 LEU 21 HD11 LEU 21 5.800 -2.708 3.219
196 HD12 LEU 21 HD12 LEU 21 5.838 -2.438 1.477
197 HD13 LEU 21 HD13 LEU 21 4.578 -3.448 2.185
198 HD21 LEU 21 HD21 LEU 21 2.659 -0.718 3.710
199 HD22 LEU 21 HD22 LEU 21 3.926 -1.566 4.597
200 HD23 LEU 21 HD23 LEU 21 2.822 -2.469 3.559
201 H ASP 22 HN ASP 22 5.677 -0.685 -0.775
202 HA ASP 22 HA ASP 22 8.385 -1.793 -0.453
203 HB2 ASP 22 HB2 ASP 22 6.609 -3.442 -0.897
204 HB3 ASP 22 HB1 ASP 22 6.189 -2.593 -2.379
205 H PHE 23 HN PHE 23 6.275 -0.040 -2.621
206 HA PHE 23 HA PHE 23 8.063 0.338 -4.763
207 HB2 PHE 23 HB2 PHE 23 5.545 0.645 -4.721
208 HB3 PHE 23 HB1 PHE 23 5.826 2.190 -3.938
209 HD1 PHE 23 HD2 PHE 23 6.943 0.308 -6.959
210 HD2 PHE 23 HD1 PHE 23 5.881 4.060 -5.256
211 HE1 PHE 23 HE2 PHE 23 7.176 1.370 -9.165
212 HE2 PHE 23 HE1 PHE 23 6.108 5.128 -7.460
213 HZ PHE 23 HZ PHE 23 6.757 3.784 -9.419
214 H CYS 24 HN CYS 24 7.910 1.749 -1.665
215 HA CYS 24 HA CYS 24 9.020 4.286 -2.126
216 HB2 CYS 24 HB2 CYS 24 9.576 4.278 0.245
217 HB3 CYS 24 HB1 CYS 24 7.973 3.596 -0.005
218 HG CYS 24 HG CYS 24 8.985 2.053 1.972
219 H THR 25 HN THR 25 10.395 1.211 -2.432
220 HA THR 25 HA THR 25 13.092 1.787 -1.803
221 HB THR 25 HB THR 25 13.598 -0.187 -3.300
222 HG1 THR 25 HG1 THR 25 10.804 -0.642 -3.352
223 HG21 THR 25 HG21 THR 25 12.559 -1.827 -1.784
224 HG22 THR 25 HG22 THR 25 11.522 -0.556 -1.138
225 HG23 THR 25 HG23 THR 25 13.267 -0.473 -0.907
226 H GLY 26 HN GLY 26 11.102 2.712 -4.421
227 HA2 GLY 26 HA2 GLY 26 11.532 4.078 -6.220
228 HA3 GLY 26 HA1 GLY 26 13.115 4.381 -5.511
229 H GLU 27 HN GLU 27 14.634 3.975 -6.936
230 HA GLU 27 HA GLU 27 14.420 1.843 -8.871
231 HB2 GLU 27 HB2 GLU 27 16.853 3.476 -8.117
232 HB3 GLU 27 HB1 GLU 27 16.633 2.530 -9.579
233 HG2 GLU 27 HG2 GLU 27 14.995 4.946 -8.855
234 HG3 GLU 27 HG1 GLU 27 16.404 4.969 -9.912
235 H ASP 28 HN ASP 28 16.648 2.636 -6.246
236 HA ASP 28 HA ASP 28 16.454 0.104 -4.989
237 HB2 ASP 28 HB2 ASP 28 17.939 -0.419 -6.991
238 HB3 ASP 28 HB1 ASP 28 19.130 0.672 -6.292
239 H SER 29 HN SER 29 15.921 2.436 -3.973
240 HA SER 29 HA SER 29 18.311 3.253 -2.457
241 HB2 SER 29 HB2 SER 29 17.085 5.511 -2.325
242 HB3 SER 29 HB1 SER 29 17.820 5.073 -3.867
243 HG SER 29 HG SER 29 15.081 4.804 -3.148
244 H VAL 30 HN VAL 30 17.823 4.225 -0.332
245 HA VAL 30 HA VAL 30 15.352 3.190 0.882
246 HB VAL 30 HB VAL 30 17.982 3.186 2.358
247 HG11 VAL 30 HG11 VAL 30 16.835 1.564 3.803
248 HG12 VAL 30 HG12 VAL 30 15.382 1.729 2.816
249 HG13 VAL 30 HG13 VAL 30 15.988 3.109 3.731
250 HG21 VAL 30 HG21 VAL 30 18.294 1.730 0.439
251 HG22 VAL 30 HG22 VAL 30 16.794 0.884 0.814
252 HG23 VAL 30 HG23 VAL 30 18.166 0.777 1.915
253 H ASP 31 HN ASP 31 15.382 5.684 0.011
254 HA ASP 31 HA ASP 31 16.485 7.480 2.017
255 HB2 ASP 31 HB2 ASP 31 15.145 7.968 -0.641
256 HB3 ASP 31 HB1 ASP 31 15.573 9.270 0.462
257 H GLY 32 HN GLY 32 15.376 8.201 3.669
258 HA2 GLY 32 HA2 GLY 32 13.643 9.408 4.658
259 HA3 GLY 32 HA1 GLY 32 12.618 9.017 3.290
260 H LYS 33 HN LYS 33 12.035 6.632 3.140
261 HA LYS 33 HA LYS 33 10.626 5.059 3.998
262 HB2 LYS 33 HB2 LYS 33 12.551 5.267 6.323
263 HB3 LYS 33 HB1 LYS 33 11.265 4.074 6.235
264 HG2 LYS 33 HG2 LYS 33 12.255 3.069 4.289
265 HG3 LYS 33 HG1 LYS 33 13.475 4.341 4.208
266 HD2 LYS 33 HD2 LYS 33 14.398 2.310 5.197
267 HD3 LYS 33 HD1 LYS 33 14.368 3.622 6.372
268 HE2 LYS 33 HE2 LYS 33 13.651 1.583 7.434
269 HE3 LYS 33 HE1 LYS 33 12.284 2.687 7.314
270 HZ1 LYS 33 HZ1 LYS 33 12.816 0.423 5.466
271 HZ2 LYS 33 HZ2 LYS 33 11.476 1.451 5.420
272 HZ3 LYS 33 HZ3 LYS 33 11.694 0.407 6.730
273 H LYS 34 HN LYS 34 9.629 7.533 4.071
274 HA LYS 34 HA LYS 34 8.930 8.476 6.663
275 HB2 LYS 34 HB2 LYS 34 7.501 10.074 5.471
276 HB3 LYS 34 HB1 LYS 34 9.111 9.998 4.774
277 HG2 LYS 34 HG2 LYS 34 8.235 8.529 2.996
278 HG3 LYS 34 HG1 LYS 34 6.620 8.711 3.677
279 HD2 LYS 34 HD2 LYS 34 6.906 10.229 1.811
280 HD3 LYS 34 HD1 LYS 34 6.764 11.143 3.313
281 HE2 LYS 34 HE2 LYS 34 9.176 11.434 3.386
282 HE3 LYS 34 HE1 LYS 34 9.357 10.459 1.929
283 HZ1 LYS 34 HZ1 LYS 34 9.462 12.822 1.447
284 HZ2 LYS 34 HZ2 LYS 34 7.920 13.049 2.102
285 HZ3 LYS 34 HZ3 LYS 34 8.115 12.118 0.704
286 H ARG 35 HN ARG 35 7.349 6.395 4.328
287 HA ARG 35 HA ARG 35 5.075 6.160 6.175
288 HB2 ARG 35 HB2 ARG 35 4.574 7.247 3.958
289 HB3 ARG 35 HB1 ARG 35 4.983 5.719 3.191
290 HG2 ARG 35 HG2 ARG 35 3.166 4.612 4.320
291 HG3 ARG 35 HG1 ARG 35 2.801 6.076 5.234
292 HD2 ARG 35 HD2 ARG 35 2.586 5.718 2.246
293 HD3 ARG 35 HD1 ARG 35 1.248 5.835 3.389
294 HE ARG 35 HE ARG 35 3.041 8.100 3.403
295 HH11 ARG 35 HH11 ARG 35 0.141 6.719 2.018
296 HH12 ARG 35 HH12 ARG 35 -0.491 8.248 1.501
297 HH21 ARG 35 HH21 ARG 35 2.219 10.106 2.725
298 HH22 ARG 35 HH22 ARG 35 0.690 10.177 1.904
299 H GLN 36 HN GLN 36 5.940 4.455 7.312
300 HA GLN 36 HA GLN 36 6.170 1.942 5.807
301 HB2 GLN 36 HB2 GLN 36 7.760 1.234 7.677
302 HB3 GLN 36 HB1 GLN 36 8.372 2.380 6.494
303 HG2 GLN 36 HG2 GLN 36 8.023 4.208 8.043
304 HG3 GLN 36 HG1 GLN 36 7.329 3.096 9.224
305 HE21 GLN 36 HE21 GLN 36 8.665 1.688 10.331
306 HE22 GLN 36 HE22 GLN 36 10.382 1.887 10.376
Start of MODEL 5
1 H1 THR 1 HT1 THR 1 -29.029 5.298 4.268
2 H2 THR 1 HT2 THR 1 -28.698 6.621 5.267
3 H3 THR 1 HT3 THR 1 -28.914 5.086 5.938
4 HA THR 1 HA THR 1 -26.731 5.809 4.089
5 HB THR 1 HB THR 1 -26.566 5.392 7.078
6 HG1 THR 1 HG1 THR 1 -26.044 7.734 6.972
7 HG21 THR 1 HG21 THR 1 -24.282 6.281 6.798
8 HG22 THR 1 HG22 THR 1 -24.536 6.350 5.054
9 HG23 THR 1 HG23 THR 1 -24.525 4.794 5.884
10 H TRP 2 HN TRP 2 -25.509 4.109 3.437
11 HA TRP 2 HA TRP 2 -26.286 1.452 4.402
12 HB2 TRP 2 HB2 TRP 2 -24.786 2.340 1.931
13 HB3 TRP 2 HB1 TRP 2 -25.005 0.653 2.384
14 HD1 TRP 2 HD1 TRP 2 -27.022 3.703 1.192
15 HE1 TRP 2 HE1 TRP 2 -29.231 2.863 0.173
16 HE3 TRP 2 HE3 TRP 2 -26.622 -1.259 2.361
17 HZ2 TRP 2 HZ2 TRP 2 -30.617 0.423 -0.099
18 HZ3 TRP 2 HZ3 TRP 2 -28.435 -2.777 1.683
19 HH2 TRP 2 HH2 TRP 2 -30.389 -1.952 0.479
20 H SER 3 HN SER 3 -24.695 -0.067 5.027
21 HA SER 3 HA SER 3 -22.288 1.154 6.132
22 HB2 SER 3 HB2 SER 3 -23.449 -1.610 6.566
23 HB3 SER 3 HB1 SER 3 -22.079 -0.917 7.434
24 HG SER 3 HG SER 3 -24.586 0.382 7.396
25 H GLY 4 HN GLY 4 -20.356 0.858 5.268
26 HA2 GLY 4 HA2 GLY 4 -18.658 -0.482 4.257
27 HA3 GLY 4 HA1 GLY 4 -19.917 -1.412 3.459
28 H THR 5 HN THR 5 -20.270 2.000 3.508
29 HA THR 5 HA THR 5 -20.336 2.143 0.681
30 HB THR 5 HB THR 5 -20.392 4.673 1.179
31 HG1 THR 5 HG1 THR 5 -20.749 5.203 3.339
32 HG21 THR 5 HG21 THR 5 -22.718 4.543 1.980
33 HG22 THR 5 HG22 THR 5 -22.478 2.839 2.361
34 HG23 THR 5 HG23 THR 5 -22.399 3.388 0.688
35 H LYS 6 HN LYS 6 -18.259 4.023 2.885
36 HA LYS 6 HA LYS 6 -16.323 4.334 0.745
37 HB2 LYS 6 HB2 LYS 6 -16.383 5.472 3.541
38 HB3 LYS 6 HB1 LYS 6 -15.179 5.867 2.319
39 HG2 LYS 6 HG2 LYS 6 -16.980 6.728 0.873
40 HG3 LYS 6 HG1 LYS 6 -18.134 6.409 2.167
41 HD2 LYS 6 HD2 LYS 6 -16.988 7.968 3.620
42 HD3 LYS 6 HD1 LYS 6 -15.745 8.232 2.396
43 HE2 LYS 6 HE2 LYS 6 -18.669 8.922 2.166
44 HE3 LYS 6 HE1 LYS 6 -17.339 10.058 2.375
45 HZ1 LYS 6 HZ1 LYS 6 -16.455 9.275 0.225
46 HZ2 LYS 6 HZ2 LYS 6 -17.971 10.005 0.084
47 HZ3 LYS 6 HZ3 LYS 6 -17.837 8.323 0.017
48 H LYS 7 HN LYS 7 -16.857 2.115 3.165
49 HA LYS 7 HA LYS 7 -14.216 1.591 4.026
50 HB2 LYS 7 HB2 LYS 7 -16.593 -0.269 3.865
51 HB3 LYS 7 HB1 LYS 7 -15.095 -0.624 4.714
52 HG2 LYS 7 HG2 LYS 7 -15.513 1.363 6.149
53 HG3 LYS 7 HG1 LYS 7 -17.081 1.539 5.363
54 HD2 LYS 7 HD2 LYS 7 -17.714 -0.701 6.125
55 HD3 LYS 7 HD1 LYS 7 -16.142 -0.880 6.906
56 HE2 LYS 7 HE2 LYS 7 -18.226 1.194 7.582
57 HE3 LYS 7 HE1 LYS 7 -17.883 -0.264 8.512
58 HZ1 LYS 7 HZ1 LYS 7 -16.807 1.663 9.474
59 HZ2 LYS 7 HZ2 LYS 7 -15.988 1.968 8.029
60 HZ3 LYS 7 HZ3 LYS 7 -15.646 0.569 8.911
61 H ARG 8 HN ARG 8 -16.071 0.622 1.225
62 HA ARG 8 HA ARG 8 -14.277 -1.377 0.304
63 HB2 ARG 8 HB2 ARG 8 -16.268 0.315 -1.218
64 HB3 ARG 8 HB1 ARG 8 -15.437 -1.088 -1.871
65 HG2 ARG 8 HG2 ARG 8 -17.419 -1.051 0.391
66 HG3 ARG 8 HG1 ARG 8 -17.665 -1.702 -1.230
67 HD2 ARG 8 HD2 ARG 8 -15.764 -3.284 -0.759
68 HD3 ARG 8 HD1 ARG 8 -15.826 -2.733 0.915
69 HE ARG 8 HE ARG 8 -18.350 -3.658 -0.130
70 HH11 ARG 8 HH11 ARG 8 -15.422 -4.533 1.578
71 HH12 ARG 8 HH12 ARG 8 -16.081 -5.998 2.225
72 HH21 ARG 8 HH21 ARG 8 -19.230 -5.578 0.738
73 HH22 ARG 8 HH22 ARG 8 -18.251 -6.587 1.753
74 H ALA 9 HN ALA 9 -14.268 2.057 0.230
75 HA ALA 9 HA ALA 9 -12.295 2.240 -1.885
76 HB1 ALA 9 HB1 ALA 9 -12.334 4.648 -1.407
77 HB2 ALA 9 HB2 ALA 9 -13.404 4.350 -0.036
78 HB3 ALA 9 HB3 ALA 9 -13.952 4.003 -1.676
79 H GLN 10 HN GLN 10 -12.455 2.600 1.628
80 HA GLN 10 HA GLN 10 -9.713 3.343 1.883
81 HB2 GLN 10 HB2 GLN 10 -11.645 2.333 3.974
82 HB3 GLN 10 HB1 GLN 10 -10.076 3.051 4.302
83 HG2 GLN 10 HG2 GLN 10 -12.382 4.440 2.958
84 HG3 GLN 10 HG1 GLN 10 -11.919 4.623 4.646
85 HE21 GLN 10 HE21 GLN 10 -11.576 6.808 4.443
86 HE22 GLN 10 HE22 GLN 10 -10.227 7.476 3.593
87 H ARG 11 HN ARG 11 -11.324 0.306 1.558
88 HA ARG 11 HA ARG 11 -9.198 -1.251 2.672
89 HB2 ARG 11 HB2 ARG 11 -10.274 -3.171 1.781
90 HB3 ARG 11 HB1 ARG 11 -11.559 -2.090 2.297
91 HG2 ARG 11 HG2 ARG 11 -11.951 -1.407 0.012
92 HG3 ARG 11 HG1 ARG 11 -10.598 -2.400 -0.538
93 HD2 ARG 11 HD2 ARG 11 -11.749 -4.404 0.268
94 HD3 ARG 11 HD1 ARG 11 -13.099 -3.409 0.809
95 HE ARG 11 HE ARG 11 -12.830 -2.819 -1.849
96 HH11 ARG 11 HH11 ARG 11 -13.313 -5.759 0.000
97 HH12 ARG 11 HH12 ARG 11 -14.188 -6.561 -1.268
98 HH21 ARG 11 HH21 ARG 11 -13.991 -3.864 -3.504
99 HH22 ARG 11 HH22 ARG 11 -14.585 -5.476 -3.253
100 H ILE 12 HN ILE 12 -9.909 0.167 -0.441
101 HA ILE 12 HA ILE 12 -7.816 -1.096 -1.887
102 HB ILE 12 HB ILE 12 -9.146 1.580 -2.366
103 HG12 ILE 12 HG12 ILE 12 -9.640 -1.141 -3.597
104 HG13 ILE 12 HG11 ILE 12 -10.704 -0.313 -2.464
105 HG21 ILE 12 HG21 ILE 12 -7.397 -0.063 -4.194
106 HG22 ILE 12 HG22 ILE 12 -6.973 1.481 -3.454
107 HG23 ILE 12 HG23 ILE 12 -8.268 1.402 -4.648
108 HD11 ILE 12 HD11 ILE 12 -11.499 -0.139 -4.764
109 HD12 ILE 12 HD12 ILE 12 -9.994 0.656 -5.225
110 HD13 ILE 12 HD13 ILE 12 -11.097 1.442 -4.096
111 H LEU 13 HN LEU 13 -8.096 1.797 0.071
112 HA LEU 13 HA LEU 13 -5.602 2.927 -0.308
113 HB2 LEU 13 HB2 LEU 13 -7.393 3.993 0.966
114 HB3 LEU 13 HB1 LEU 13 -7.231 2.783 2.224
115 HG LEU 13 HG LEU 13 -4.869 3.607 2.569
116 HD11 LEU 13 HD11 LEU 13 -4.345 5.853 1.761
117 HD12 LEU 13 HD12 LEU 13 -5.847 5.875 0.837
118 HD13 LEU 13 HD13 LEU 13 -4.575 4.724 0.424
119 HD21 LEU 13 HD21 LEU 13 -7.172 5.484 3.047
120 HD22 LEU 13 HD22 LEU 13 -5.602 5.592 3.839
121 HD23 LEU 13 HD23 LEU 13 -6.629 4.183 4.104
122 H ILE 14 HN ILE 14 -6.583 0.235 1.734
123 HA ILE 14 HA ILE 14 -4.149 -0.145 3.105
124 HB ILE 14 HB ILE 14 -6.137 -2.279 2.288
125 HG12 ILE 14 HG12 ILE 14 -6.045 -0.612 4.814
126 HG13 ILE 14 HG11 ILE 14 -7.203 -0.398 3.504
127 HG21 ILE 14 HG21 ILE 14 -4.105 -2.193 4.511
128 HG22 ILE 14 HG22 ILE 14 -4.022 -3.184 3.058
129 HG23 ILE 14 HG23 ILE 14 -5.284 -3.477 4.253
130 HD11 ILE 14 HD11 ILE 14 -8.060 -2.657 3.918
131 HD12 ILE 14 HD12 ILE 14 -8.203 -1.615 5.332
132 HD13 ILE 14 HD13 ILE 14 -6.925 -2.826 5.257
133 H PHE 15 HN PHE 15 -5.385 -1.350 0.040
134 HA PHE 15 HA PHE 15 -3.180 -3.041 -0.557
135 HB2 PHE 15 HB2 PHE 15 -5.165 -1.769 -2.457
136 HB3 PHE 15 HB1 PHE 15 -4.135 -3.150 -2.799
137 HD1 PHE 15 HD2 PHE 15 -4.541 -4.460 -0.027
138 HD2 PHE 15 HD1 PHE 15 -7.227 -2.860 -2.913
139 HE1 PHE 15 HE2 PHE 15 -6.312 -5.945 0.802
140 HE2 PHE 15 HE1 PHE 15 -9.005 -4.345 -2.087
141 HZ PHE 15 HZ PHE 15 -8.548 -5.893 -0.229
142 H LEU 16 HN LEU 16 -4.026 0.277 -1.391
143 HA LEU 16 HA LEU 16 -1.799 0.889 -2.979
144 HB2 LEU 16 HB2 LEU 16 -3.133 2.751 -1.010
145 HB3 LEU 16 HB1 LEU 16 -2.202 3.209 -2.422
146 HG LEU 16 HG LEU 16 -4.882 1.830 -2.441
147 HD11 LEU 16 HD11 LEU 16 -4.992 4.179 -1.767
148 HD12 LEU 16 HD12 LEU 16 -5.708 3.930 -3.359
149 HD13 LEU 16 HD13 LEU 16 -4.100 4.636 -3.217
150 HD21 LEU 16 HD21 LEU 16 -3.531 1.117 -4.325
151 HD22 LEU 16 HD22 LEU 16 -3.159 2.794 -4.721
152 HD23 LEU 16 HD23 LEU 16 -4.813 2.198 -4.868
153 H LEU 17 HN LEU 17 -2.299 1.031 0.504
154 HA LEU 17 HA LEU 17 0.150 2.157 1.252
155 HB2 LEU 17 HB2 LEU 17 -2.012 1.676 2.605
156 HB3 LEU 17 HB1 LEU 17 -1.289 0.113 2.917
157 HG LEU 17 HG LEU 17 0.053 2.720 3.630
158 HD11 LEU 17 HD11 LEU 17 -1.654 0.925 5.346
159 HD12 LEU 17 HD12 LEU 17 -2.055 2.560 4.820
160 HD13 LEU 17 HD13 LEU 17 -0.703 2.294 5.921
161 HD21 LEU 17 HD21 LEU 17 1.393 1.326 5.114
162 HD22 LEU 17 HD22 LEU 17 1.547 0.791 3.441
163 HD23 LEU 17 HD23 LEU 17 0.529 -0.109 4.564
164 H GLU 18 HN GLU 18 -0.794 -1.284 1.069
165 HA GLU 18 HA GLU 18 1.699 -2.320 1.862
166 HB2 GLU 18 HB2 GLU 18 0.914 -4.447 1.114
167 HB3 GLU 18 HB1 GLU 18 -0.462 -3.588 1.777
168 HG2 GLU 18 HG2 GLU 18 -1.261 -3.072 -0.428
169 HG3 GLU 18 HG1 GLU 18 0.171 -3.800 -1.149
170 H PHE 19 HN PHE 19 0.506 -1.200 -1.190
171 HA PHE 19 HA PHE 19 2.690 -2.185 -2.755
172 HB2 PHE 19 HB2 PHE 19 0.534 -1.617 -3.783
173 HB3 PHE 19 HB1 PHE 19 0.743 0.065 -3.312
174 HD1 PHE 19 HD1 PHE 19 2.033 -2.616 -5.486
175 HD2 PHE 19 HD2 PHE 19 2.071 1.544 -4.593
176 HE1 PHE 19 HE1 PHE 19 3.216 -2.177 -7.596
177 HE2 PHE 19 HE2 PHE 19 3.253 1.991 -6.701
178 HZ PHE 19 HZ PHE 19 3.827 0.127 -8.204
179 H LEU 20 HN LEU 20 1.870 0.940 -1.295
180 HA LEU 20 HA LEU 20 3.992 2.426 -2.302
181 HB2 LEU 20 HB2 LEU 20 2.471 2.729 0.278
182 HB3 LEU 20 HB1 LEU 20 3.594 3.925 -0.339
183 HG LEU 20 HG LEU 20 1.097 3.021 -1.776
184 HD11 LEU 20 HD11 LEU 20 0.550 4.220 0.267
185 HD12 LEU 20 HD12 LEU 20 0.188 5.201 -1.153
186 HD13 LEU 20 HD13 LEU 20 1.632 5.532 -0.198
187 HD21 LEU 20 HD21 LEU 20 1.524 4.990 -3.192
188 HD22 LEU 20 HD22 LEU 20 2.816 3.793 -3.302
189 HD23 LEU 20 HD23 LEU 20 3.047 5.254 -2.341
190 H LEU 21 HN LEU 21 3.846 0.557 0.739
191 HA LEU 21 HA LEU 21 6.392 1.390 1.625
192 HB2 LEU 21 HB2 LEU 21 6.301 -0.616 3.121
193 HB3 LEU 21 HB1 LEU 21 4.956 0.493 3.263
194 HG LEU 21 HG LEU 21 3.772 -1.169 1.628
195 HD11 LEU 21 HD11 LEU 21 4.439 -3.475 1.892
196 HD12 LEU 21 HD12 LEU 21 5.797 -2.998 2.907
197 HD13 LEU 21 HD13 LEU 21 5.769 -2.548 1.204
198 HD21 LEU 21 HD21 LEU 21 4.268 -1.795 4.532
199 HD22 LEU 21 HD22 LEU 21 2.937 -2.422 3.563
200 HD23 LEU 21 HD23 LEU 21 3.049 -0.695 3.893
201 H ASP 22 HN ASP 22 5.350 -1.267 -0.400
202 HA ASP 22 HA ASP 22 7.890 -2.557 -0.532
203 HB2 ASP 22 HB2 ASP 22 5.872 -3.817 -0.993
204 HB3 ASP 22 HB1 ASP 22 5.450 -2.732 -2.312
205 H PHE 23 HN PHE 23 6.150 -0.257 -2.529
206 HA PHE 23 HA PHE 23 8.032 -0.032 -4.617
207 HB2 PHE 23 HB2 PHE 23 5.699 0.746 -4.781
208 HB3 PHE 23 HB1 PHE 23 6.025 1.986 -3.580
209 HD1 PHE 23 HD2 PHE 23 7.203 0.815 -6.910
210 HD2 PHE 23 HD1 PHE 23 6.591 4.098 -4.278
211 HE1 PHE 23 HE2 PHE 23 7.846 2.365 -8.707
212 HE2 PHE 23 HE1 PHE 23 7.230 5.658 -6.068
213 HZ PHE 23 HZ PHE 23 7.858 4.793 -8.287
214 H CYS 24 HN CYS 24 7.634 1.636 -1.543
215 HA CYS 24 HA CYS 24 9.645 3.569 -1.871
216 HB2 CYS 24 HB2 CYS 24 7.874 3.546 -0.082
217 HB3 CYS 24 HB1 CYS 24 8.783 2.274 0.724
218 HG CYS 24 HG CYS 24 10.625 4.976 0.049
219 H THR 25 HN THR 25 9.804 0.566 0.070
220 HA THR 25 HA THR 25 12.024 -0.543 -1.091
221 HB THR 25 HB THR 25 13.316 1.441 -0.452
222 HG1 THR 25 HG1 THR 25 14.185 -0.816 -0.348
223 HG21 THR 25 HG21 THR 25 12.648 0.684 2.393
224 HG22 THR 25 HG22 THR 25 12.089 2.123 1.544
225 HG23 THR 25 HG23 THR 25 13.802 1.922 1.904
226 H GLY 26 HN GLY 26 10.377 0.094 1.960
227 HA2 GLY 26 HA2 GLY 26 10.415 -2.754 2.528
228 HA3 GLY 26 HA1 GLY 26 11.249 -1.736 3.690
229 H GLU 27 HN GLU 27 9.165 -3.298 4.477
230 HA GLU 27 HA GLU 27 6.603 -2.221 4.409
231 HB2 GLU 27 HB2 GLU 27 7.939 -3.731 6.660
232 HB3 GLU 27 HB1 GLU 27 6.206 -3.485 6.488
233 HG2 GLU 27 HG2 GLU 27 6.214 -4.762 4.419
234 HG3 GLU 27 HG1 GLU 27 7.958 -4.986 4.557
235 H ASP 28 HN ASP 28 9.095 -1.769 6.893
236 HA ASP 28 HA ASP 28 7.636 0.423 8.088
237 HB2 ASP 28 HB2 ASP 28 10.391 -0.715 8.620
238 HB3 ASP 28 HB1 ASP 28 9.709 0.640 9.510
239 H SER 29 HN SER 29 10.453 -0.107 6.095
240 HA SER 29 HA SER 29 11.734 1.210 4.787
241 HB2 SER 29 HB2 SER 29 9.428 1.950 3.959
242 HB3 SER 29 HB1 SER 29 9.627 3.357 5.005
243 HG SER 29 HG SER 29 10.335 3.765 2.861
244 H VAL 30 HN VAL 30 12.341 3.808 4.705
245 HA VAL 30 HA VAL 30 14.075 4.987 5.642
246 HB VAL 30 HB VAL 30 12.153 6.420 5.829
247 HG11 VAL 30 HG11 VAL 30 10.671 5.028 7.151
248 HG12 VAL 30 HG12 VAL 30 10.838 6.627 7.877
249 HG13 VAL 30 HG13 VAL 30 11.699 5.252 8.566
250 HG21 VAL 30 HG21 VAL 30 12.909 7.897 7.638
251 HG22 VAL 30 HG22 VAL 30 14.248 7.278 6.670
252 HG23 VAL 30 HG23 VAL 30 13.918 6.593 8.262
253 H ASP 31 HN ASP 31 15.245 3.085 6.333
254 HA ASP 31 HA ASP 31 15.226 2.258 9.049
255 HB2 ASP 31 HB2 ASP 31 17.344 2.018 6.901
256 HB3 ASP 31 HB1 ASP 31 17.510 1.314 8.505
257 H GLY 32 HN GLY 32 16.701 2.782 10.716
258 HA2 GLY 32 HA2 GLY 32 18.278 4.178 11.780
259 HA3 GLY 32 HA1 GLY 32 18.269 5.223 10.365
260 H LYS 33 HN LYS 33 15.720 4.006 12.519
261 HA LYS 33 HA LYS 33 14.955 6.792 13.069
262 HB2 LYS 33 HB2 LYS 33 12.563 6.100 12.862
263 HB3 LYS 33 HB1 LYS 33 13.450 6.056 11.344
264 HG2 LYS 33 HG2 LYS 33 13.694 3.649 11.530
265 HG3 LYS 33 HG1 LYS 33 12.858 3.671 13.084
266 HD2 LYS 33 HD2 LYS 33 10.827 4.412 12.041
267 HD3 LYS 33 HD1 LYS 33 11.647 4.614 10.491
268 HE2 LYS 33 HE2 LYS 33 11.287 2.003 11.955
269 HE3 LYS 33 HE1 LYS 33 10.325 2.542 10.582
270 HZ1 LYS 33 HZ1 LYS 33 12.308 2.540 9.217
271 HZ2 LYS 33 HZ2 LYS 33 12.092 1.018 9.922
272 HZ3 LYS 33 HZ3 LYS 33 13.256 2.073 10.539
273 H LYS 34 HN LYS 34 16.101 4.148 14.419
274 HA LYS 34 HA LYS 34 14.244 3.865 16.615
275 HB2 LYS 34 HB2 LYS 34 16.934 2.598 16.087
276 HB3 LYS 34 HB1 LYS 34 15.932 2.241 17.487
277 HG2 LYS 34 HG2 LYS 34 14.190 1.362 16.075
278 HG3 LYS 34 HG1 LYS 34 15.080 1.833 14.628
279 HD2 LYS 34 HD2 LYS 34 15.370 -0.530 15.009
280 HD3 LYS 34 HD1 LYS 34 16.901 0.295 15.299
281 HE2 LYS 34 HE2 LYS 34 16.526 0.205 17.694
282 HE3 LYS 34 HE1 LYS 34 14.944 -0.530 17.442
283 HZ1 LYS 34 HZ1 LYS 34 17.549 -1.737 16.690
284 HZ2 LYS 34 HZ2 LYS 34 16.033 -2.441 16.443
285 HZ3 LYS 34 HZ3 LYS 34 16.599 -2.185 18.014
286 H ARG 35 HN ARG 35 16.920 5.802 15.837
287 HA ARG 35 HA ARG 35 16.917 6.834 18.579
288 HB2 ARG 35 HB2 ARG 35 19.386 6.418 16.879
289 HB3 ARG 35 HB1 ARG 35 19.353 7.249 18.427
290 HG2 ARG 35 HG2 ARG 35 18.571 5.163 19.491
291 HG3 ARG 35 HG1 ARG 35 18.731 4.347 17.935
292 HD2 ARG 35 HD2 ARG 35 21.129 4.911 17.915
293 HD3 ARG 35 HD1 ARG 35 20.947 5.671 19.496
294 HE ARG 35 HE ARG 35 20.153 2.880 19.266
295 HH11 ARG 35 HH11 ARG 35 22.580 5.190 20.278
296 HH12 ARG 35 HH12 ARG 35 23.389 4.070 21.322
297 HH21 ARG 35 HH21 ARG 35 21.219 1.401 20.634
298 HH22 ARG 35 HH22 ARG 35 22.611 1.914 21.532
299 H GLN 36 HN GLN 36 15.305 8.178 17.240
300 HA GLN 36 HA GLN 36 16.792 10.443 16.099
301 HB2 GLN 36 HB2 GLN 36 14.726 10.881 14.691
302 HB3 GLN 36 HB1 GLN 36 15.703 9.496 14.232
303 HG2 GLN 36 HG2 GLN 36 14.133 7.985 15.226
304 HG3 GLN 36 HG1 GLN 36 13.204 9.322 15.897
305 HE21 GLN 36 HE21 GLN 36 11.322 8.712 14.846
306 HE22 GLN 36 HE22 GLN 36 11.110 8.902 13.143
Start of MODEL 6
1 H1 THR 1 HT1 THR 1 -27.387 0.631 -7.486
2 H2 THR 1 HT2 THR 1 -27.922 1.473 -6.119
3 H3 THR 1 HT3 THR 1 -26.848 0.181 -5.949
4 HA THR 1 HA THR 1 -26.247 2.708 -7.353
5 HB THR 1 HB THR 1 -25.290 1.763 -4.641
6 HG1 THR 1 HG1 THR 1 -26.685 4.069 -4.609
7 HG21 THR 1 HG21 THR 1 -24.918 4.405 -6.055
8 HG22 THR 1 HG22 THR 1 -23.676 3.170 -5.853
9 HG23 THR 1 HG23 THR 1 -24.334 3.997 -4.440
10 H TRP 2 HN TRP 2 -24.341 2.722 -8.439
11 HA TRP 2 HA TRP 2 -22.778 0.235 -8.393
12 HB2 TRP 2 HB2 TRP 2 -23.110 2.258 -10.613
13 HB3 TRP 2 HB1 TRP 2 -22.040 0.863 -10.683
14 HD1 TRP 2 HD1 TRP 2 -23.116 -1.469 -11.240
15 HE1 TRP 2 HE1 TRP 2 -25.471 -2.199 -11.983
16 HE3 TRP 2 HE3 TRP 2 -25.634 2.854 -10.263
17 HZ2 TRP 2 HZ2 TRP 2 -28.060 -1.076 -12.129
18 HZ3 TRP 2 HZ3 TRP 2 -28.051 2.954 -10.729
19 HH2 TRP 2 HH2 TRP 2 -29.235 1.024 -11.644
20 H SER 3 HN SER 3 -20.444 0.701 -9.211
21 HA SER 3 HA SER 3 -18.402 1.418 -8.577
22 HB2 SER 3 HB2 SER 3 -17.991 3.864 -8.905
23 HB3 SER 3 HB1 SER 3 -18.819 3.092 -10.253
24 HG SER 3 HG SER 3 -20.516 4.114 -8.348
25 H GLY 4 HN GLY 4 -18.504 0.611 -6.445
26 HA2 GLY 4 HA2 GLY 4 -19.303 2.320 -4.272
27 HA3 GLY 4 HA1 GLY 4 -18.476 0.775 -4.134
28 H THR 5 HN THR 5 -17.781 3.979 -5.482
29 HA THR 5 HA THR 5 -15.007 3.814 -5.308
30 HB THR 5 HB THR 5 -15.199 6.391 -5.349
31 HG1 THR 5 HG1 THR 5 -17.429 6.940 -6.098
32 HG21 THR 5 HG21 THR 5 -15.871 6.363 -7.706
33 HG22 THR 5 HG22 THR 5 -16.526 4.739 -7.504
34 HG23 THR 5 HG23 THR 5 -14.792 5.017 -7.342
35 H LYS 6 HN LYS 6 -17.309 5.389 -3.104
36 HA LYS 6 HA LYS 6 -15.172 5.920 -1.205
37 HB2 LYS 6 HB2 LYS 6 -18.124 6.540 -1.073
38 HB3 LYS 6 HB1 LYS 6 -16.927 7.066 0.101
39 HG2 LYS 6 HG2 LYS 6 -15.775 8.309 -1.703
40 HG3 LYS 6 HG1 LYS 6 -17.081 7.855 -2.798
41 HD2 LYS 6 HD2 LYS 6 -17.437 9.402 -0.234
42 HD3 LYS 6 HD1 LYS 6 -17.345 10.121 -1.840
43 HE2 LYS 6 HE2 LYS 6 -19.336 8.896 -2.520
44 HE3 LYS 6 HE1 LYS 6 -19.417 8.122 -0.939
45 HZ1 LYS 6 HZ1 LYS 6 -19.673 11.035 -1.452
46 HZ2 LYS 6 HZ2 LYS 6 -19.749 10.292 0.065
47 HZ3 LYS 6 HZ3 LYS 6 -20.945 9.979 -1.088
48 H LYS 7 HN LYS 7 -16.540 3.188 -1.904
49 HA LYS 7 HA LYS 7 -16.910 2.396 0.906
50 HB2 LYS 7 HB2 LYS 7 -18.011 1.153 -1.617
51 HB3 LYS 7 HB1 LYS 7 -18.112 0.392 -0.037
52 HG2 LYS 7 HG2 LYS 7 -19.153 3.157 -0.313
53 HG3 LYS 7 HG1 LYS 7 -20.083 1.845 -1.031
54 HD2 LYS 7 HD2 LYS 7 -20.929 2.210 1.171
55 HD3 LYS 7 HD1 LYS 7 -20.030 0.697 1.192
56 HE2 LYS 7 HE2 LYS 7 -19.573 2.016 3.186
57 HE3 LYS 7 HE1 LYS 7 -18.122 1.837 2.207
58 HZ1 LYS 7 HZ1 LYS 7 -19.881 4.230 2.218
59 HZ2 LYS 7 HZ2 LYS 7 -18.425 4.065 1.372
60 HZ3 LYS 7 HZ3 LYS 7 -18.422 4.099 3.059
61 H ARG 8 HN ARG 8 -15.678 1.167 -2.203
62 HA ARG 8 HA ARG 8 -14.217 -0.945 -0.972
63 HB2 ARG 8 HB2 ARG 8 -14.033 0.254 -3.736
64 HB3 ARG 8 HB1 ARG 8 -13.172 -1.191 -3.227
65 HG2 ARG 8 HG2 ARG 8 -16.155 -0.833 -3.397
66 HG3 ARG 8 HG1 ARG 8 -15.138 -1.824 -4.447
67 HD2 ARG 8 HD2 ARG 8 -14.498 -3.171 -2.462
68 HD3 ARG 8 HD1 ARG 8 -15.642 -2.233 -1.504
69 HE ARG 8 HE ARG 8 -16.989 -3.297 -3.719
70 HH11 ARG 8 HH11 ARG 8 -15.483 -4.344 -0.742
71 HH12 ARG 8 HH12 ARG 8 -16.480 -5.754 -0.588
72 HH21 ARG 8 HH21 ARG 8 -18.306 -5.145 -3.520
73 HH22 ARG 8 HH22 ARG 8 -18.092 -6.211 -2.170
74 H ALA 9 HN ALA 9 -13.601 2.368 -1.516
75 HA ALA 9 HA ALA 9 -10.818 2.432 -1.717
76 HB1 ALA 9 HB1 ALA 9 -10.972 4.734 -0.938
77 HB2 ALA 9 HB2 ALA 9 -12.624 4.449 -0.388
78 HB3 ALA 9 HB3 ALA 9 -12.241 4.380 -2.109
79 H GLN 10 HN GLN 10 -12.874 1.863 1.029
80 HA GLN 10 HA GLN 10 -11.038 2.501 3.079
81 HB2 GLN 10 HB2 GLN 10 -12.538 1.440 4.567
82 HB3 GLN 10 HB1 GLN 10 -13.550 2.116 3.300
83 HG2 GLN 10 HG2 GLN 10 -13.634 -0.111 2.236
84 HG3 GLN 10 HG1 GLN 10 -12.723 -0.761 3.599
85 HE21 GLN 10 HE21 GLN 10 -15.749 0.465 2.499
86 HE22 GLN 10 HE22 GLN 10 -16.682 0.018 3.888
87 H ARG 11 HN ARG 11 -11.466 -0.259 1.036
88 HA ARG 11 HA ARG 11 -9.627 -1.874 2.611
89 HB2 ARG 11 HB2 ARG 11 -11.309 -3.282 1.975
90 HB3 ARG 11 HB1 ARG 11 -11.649 -2.385 0.502
91 HG2 ARG 11 HG2 ARG 11 -9.839 -3.384 -0.631
92 HG3 ARG 11 HG1 ARG 11 -9.204 -4.088 0.855
93 HD2 ARG 11 HD2 ARG 11 -11.852 -4.781 -0.407
94 HD3 ARG 11 HD1 ARG 11 -10.376 -5.732 -0.568
95 HE ARG 11 HE ARG 11 -10.742 -5.493 2.126
96 HH11 ARG 11 HH11 ARG 11 -12.682 -6.678 -0.533
97 HH12 ARG 11 HH12 ARG 11 -13.534 -7.836 0.437
98 HH21 ARG 11 HH21 ARG 11 -11.845 -7.021 3.406
99 HH22 ARG 11 HH22 ARG 11 -13.060 -8.027 2.684
100 H ILE 12 HN ILE 12 -9.964 -0.451 -0.614
101 HA ILE 12 HA ILE 12 -7.591 -1.481 -1.701
102 HB ILE 12 HB ILE 12 -9.017 1.100 -2.392
103 HG12 ILE 12 HG12 ILE 12 -9.203 -1.647 -3.644
104 HG13 ILE 12 HG11 ILE 12 -10.403 -0.951 -2.561
105 HG21 ILE 12 HG21 ILE 12 -7.902 0.913 -4.570
106 HG22 ILE 12 HG22 ILE 12 -6.998 -0.481 -3.980
107 HG23 ILE 12 HG23 ILE 12 -6.743 1.106 -3.256
108 HD11 ILE 12 HD11 ILE 12 -9.631 0.126 -5.262
109 HD12 ILE 12 HD12 ILE 12 -10.841 0.813 -4.179
110 HD13 ILE 12 HD13 ILE 12 -11.092 -0.784 -4.879
111 H LEU 13 HN LEU 13 -8.199 1.200 0.421
112 HA LEU 13 HA LEU 13 -5.865 2.657 0.250
113 HB2 LEU 13 HB2 LEU 13 -7.719 3.347 1.646
114 HB3 LEU 13 HB1 LEU 13 -7.527 1.935 2.664
115 HG LEU 13 HG LEU 13 -5.320 2.816 3.403
116 HD11 LEU 13 HD11 LEU 13 -6.157 5.250 1.837
117 HD12 LEU 13 HD12 LEU 13 -4.780 4.202 1.497
118 HD13 LEU 13 HD13 LEU 13 -4.805 5.174 2.967
119 HD21 LEU 13 HD21 LEU 13 -6.244 4.586 4.833
120 HD22 LEU 13 HD22 LEU 13 -7.301 3.176 4.756
121 HD23 LEU 13 HD23 LEU 13 -7.694 4.624 3.830
122 H ILE 14 HN ILE 14 -6.486 -0.375 1.947
123 HA ILE 14 HA ILE 14 -3.998 -0.572 3.258
124 HB ILE 14 HB ILE 14 -5.796 -2.817 2.330
125 HG12 ILE 14 HG12 ILE 14 -7.026 -1.158 3.656
126 HG13 ILE 14 HG11 ILE 14 -6.825 -2.653 4.549
127 HG21 ILE 14 HG21 ILE 14 -4.804 -4.060 4.202
128 HG22 ILE 14 HG22 ILE 14 -3.729 -2.699 4.525
129 HG23 ILE 14 HG23 ILE 14 -3.593 -3.588 3.009
130 HD11 ILE 14 HD11 ILE 14 -5.233 -0.134 4.928
131 HD12 ILE 14 HD12 ILE 14 -4.988 -1.639 5.812
132 HD13 ILE 14 HD13 ILE 14 -6.498 -0.747 5.991
133 H PHE 15 HN PHE 15 -5.168 -1.738 0.137
134 HA PHE 15 HA PHE 15 -2.822 -3.135 -0.589
135 HB2 PHE 15 HB2 PHE 15 -5.080 -2.003 -2.242
136 HB3 PHE 15 HB1 PHE 15 -3.774 -2.970 -2.921
137 HD1 PHE 15 HD1 PHE 15 -6.695 -3.004 -0.701
138 HD2 PHE 15 HD2 PHE 15 -3.678 -5.325 -2.590
139 HE1 PHE 15 HE1 PHE 15 -7.913 -5.051 -0.122
140 HE2 PHE 15 HE2 PHE 15 -4.893 -7.387 -2.017
141 HZ PHE 15 HZ PHE 15 -7.020 -7.252 -0.780
142 H LEU 16 HN LEU 16 -3.916 0.184 -1.153
143 HA LEU 16 HA LEU 16 -1.707 0.858 -2.816
144 HB2 LEU 16 HB2 LEU 16 -2.651 2.924 -3.005
145 HB3 LEU 16 HB1 LEU 16 -4.052 2.012 -2.494
146 HG LEU 16 HG LEU 16 -3.475 2.833 -0.116
147 HD11 LEU 16 HD11 LEU 16 -1.221 3.676 -0.828
148 HD12 LEU 16 HD12 LEU 16 -2.212 4.837 0.056
149 HD13 LEU 16 HD13 LEU 16 -2.055 4.966 -1.696
150 HD21 LEU 16 HD21 LEU 16 -4.419 4.776 -2.226
151 HD22 LEU 16 HD22 LEU 16 -4.746 4.876 -0.496
152 HD23 LEU 16 HD23 LEU 16 -5.415 3.550 -1.445
153 H LEU 17 HN LEU 17 -2.349 1.016 0.627
154 HA LEU 17 HA LEU 17 -0.065 2.410 1.445
155 HB2 LEU 17 HB2 LEU 17 -1.870 1.965 2.977
156 HB3 LEU 17 HB1 LEU 17 -1.675 0.235 2.781
157 HG LEU 17 HG LEU 17 0.547 0.404 3.884
158 HD11 LEU 17 HD11 LEU 17 1.084 2.443 5.121
159 HD12 LEU 17 HD12 LEU 17 -0.306 3.249 4.391
160 HD13 LEU 17 HD13 LEU 17 1.040 2.723 3.380
161 HD21 LEU 17 HD21 LEU 17 -1.435 -0.245 5.133
162 HD22 LEU 17 HD22 LEU 17 -1.803 1.450 5.457
163 HD23 LEU 17 HD23 LEU 17 -0.350 0.716 6.139
164 H GLU 18 HN GLU 18 -0.618 -1.087 1.189
165 HA GLU 18 HA GLU 18 1.982 -1.926 1.754
166 HB2 GLU 18 HB2 GLU 18 -0.126 -3.191 0.000
167 HB3 GLU 18 HB1 GLU 18 1.373 -3.987 0.455
168 HG2 GLU 18 HG2 GLU 18 0.726 -3.766 2.825
169 HG3 GLU 18 HG1 GLU 18 -0.814 -3.079 2.309
170 H PHE 19 HN PHE 19 0.487 -1.047 -1.335
171 HA PHE 19 HA PHE 19 2.594 -1.770 -3.012
172 HB2 PHE 19 HB2 PHE 19 0.373 -1.164 -3.854
173 HB3 PHE 19 HB1 PHE 19 0.631 0.504 -3.355
174 HD1 PHE 19 HD2 PHE 19 2.177 -2.133 -5.486
175 HD2 PHE 19 HD1 PHE 19 1.443 2.017 -4.892
176 HE1 PHE 19 HE2 PHE 19 3.219 -1.642 -7.659
177 HE2 PHE 19 HE1 PHE 19 2.488 2.516 -7.061
178 HZ PHE 19 HZ PHE 19 3.378 0.684 -8.448
179 H LEU 20 HN LEU 20 1.934 1.365 -1.448
180 HA LEU 20 HA LEU 20 4.089 2.749 -2.566
181 HB2 LEU 20 HB2 LEU 20 2.322 3.112 -0.221
182 HB3 LEU 20 HB1 LEU 20 3.813 4.031 -0.234
183 HG LEU 20 HG LEU 20 3.189 5.212 -2.201
184 HD11 LEU 20 HD11 LEU 20 2.251 3.382 -3.496
185 HD12 LEU 20 HD12 LEU 20 1.130 4.741 -3.445
186 HD13 LEU 20 HD13 LEU 20 0.848 3.327 -2.432
187 HD21 LEU 20 HD21 LEU 20 2.143 5.999 -0.160
188 HD22 LEU 20 HD22 LEU 20 0.789 4.897 -0.414
189 HD23 LEU 20 HD23 LEU 20 1.063 6.233 -1.537
190 H LEU 21 HN LEU 21 3.934 0.955 0.520
191 HA LEU 21 HA LEU 21 6.635 1.657 1.154
192 HB2 LEU 21 HB2 LEU 21 6.382 0.032 3.031
193 HB3 LEU 21 HB1 LEU 21 5.215 1.336 3.007
194 HG LEU 21 HG LEU 21 3.714 -0.436 1.781
195 HD11 LEU 21 HD11 LEU 21 5.417 -2.160 1.592
196 HD12 LEU 21 HD12 LEU 21 4.088 -2.703 2.617
197 HD13 LEU 21 HD13 LEU 21 5.608 -2.180 3.345
198 HD21 LEU 21 HD21 LEU 21 2.806 -1.096 3.954
199 HD22 LEU 21 HD22 LEU 21 3.189 0.626 3.902
200 HD23 LEU 21 HD23 LEU 21 4.264 -0.494 4.743
201 H ASP 22 HN ASP 22 5.102 -0.999 -0.489
202 HA ASP 22 HA ASP 22 7.389 -2.716 -0.457
203 HB2 ASP 22 HB2 ASP 22 5.179 -3.654 -0.845
204 HB3 ASP 22 HB1 ASP 22 4.977 -2.663 -2.285
205 H PHE 23 HN PHE 23 6.109 -0.294 -2.665
206 HA PHE 23 HA PHE 23 8.053 -0.642 -4.703
207 HB2 PHE 23 HB2 PHE 23 5.919 0.493 -5.107
208 HB3 PHE 23 HB1 PHE 23 6.361 1.764 -3.976
209 HD1 PHE 23 HD1 PHE 23 7.166 0.267 -7.253
210 HD2 PHE 23 HD2 PHE 23 7.678 3.598 -4.653
211 HE1 PHE 23 HE1 PHE 23 8.151 1.558 -9.100
212 HE2 PHE 23 HE2 PHE 23 8.666 4.889 -6.497
213 HZ PHE 23 HZ PHE 23 8.903 3.869 -8.724
214 H CYS 24 HN CYS 24 7.900 1.251 -1.757
215 HA CYS 24 HA CYS 24 10.107 2.938 -2.341
216 HB2 CYS 24 HB2 CYS 24 8.254 3.423 -0.703
217 HB3 CYS 24 HB1 CYS 24 9.008 2.269 0.390
218 HG CYS 24 HG CYS 24 11.446 3.756 0.482
219 H THR 25 HN THR 25 10.109 -0.324 -1.766
220 HA THR 25 HA THR 25 12.455 -0.475 -0.116
221 HB THR 25 HB THR 25 12.514 -2.851 -0.671
222 HG1 THR 25 HG1 THR 25 10.189 -2.666 -2.240
223 HG21 THR 25 HG21 THR 25 10.291 -3.510 0.157
224 HG22 THR 25 HG22 THR 25 9.711 -1.868 -0.127
225 HG23 THR 25 HG23 THR 25 10.968 -2.164 1.074
226 H GLY 26 HN GLY 26 11.757 -0.124 -3.479
227 HA2 GLY 26 HA2 GLY 26 13.301 0.589 -5.106
228 HA3 GLY 26 HA1 GLY 26 14.612 0.042 -4.071
229 H GLU 27 HN GLU 27 11.742 -1.526 -5.492
230 HA GLU 27 HA GLU 27 13.241 -3.923 -5.971
231 HB2 GLU 27 HB2 GLU 27 10.939 -4.378 -7.306
232 HB3 GLU 27 HB1 GLU 27 11.129 -4.613 -5.577
233 HG2 GLU 27 HG2 GLU 27 9.095 -3.458 -5.906
234 HG3 GLU 27 HG1 GLU 27 10.239 -2.298 -5.246
235 H ASP 28 HN ASP 28 11.645 -1.553 -8.053
236 HA ASP 28 HA ASP 28 13.798 -1.817 -9.997
237 HB2 ASP 28 HB2 ASP 28 11.922 -3.397 -10.689
238 HB3 ASP 28 HB1 ASP 28 10.906 -1.973 -10.883
239 H SER 29 HN SER 29 13.379 0.113 -8.157
240 HA SER 29 HA SER 29 11.785 2.231 -9.356
241 HB2 SER 29 HB2 SER 29 13.244 2.133 -6.709
242 HB3 SER 29 HB1 SER 29 12.170 3.423 -7.247
243 HG SER 29 HG SER 29 11.118 0.842 -7.311
244 H VAL 30 HN VAL 30 12.579 4.262 -9.797
245 HA VAL 30 HA VAL 30 15.490 4.641 -9.739
246 HB VAL 30 HB VAL 30 13.704 5.646 -11.970
247 HG11 VAL 30 HG11 VAL 30 15.806 6.205 -13.083
248 HG12 VAL 30 HG12 VAL 30 16.707 5.618 -11.685
249 HG13 VAL 30 HG13 VAL 30 15.664 7.032 -11.530
250 HG21 VAL 30 HG21 VAL 30 13.877 3.219 -12.110
251 HG22 VAL 30 HG22 VAL 30 15.636 3.328 -12.013
252 HG23 VAL 30 HG23 VAL 30 14.786 3.989 -13.412
253 H ASP 31 HN ASP 31 14.850 5.618 -7.687
254 HA ASP 31 HA ASP 31 13.062 7.864 -7.716
255 HB2 ASP 31 HB2 ASP 31 13.468 8.026 -5.338
256 HB3 ASP 31 HB1 ASP 31 13.227 6.339 -5.764
257 H GLY 32 HN GLY 32 14.226 9.670 -6.015
258 HA2 GLY 32 HA2 GLY 32 16.117 11.193 -6.005
259 HA3 GLY 32 HA1 GLY 32 16.435 10.717 -7.670
260 H LYS 33 HN LYS 33 13.182 10.912 -7.174
261 HA LYS 33 HA LYS 33 13.044 13.655 -8.237
262 HB2 LYS 33 HB2 LYS 33 11.187 11.312 -8.736
263 HB3 LYS 33 HB1 LYS 33 10.995 12.926 -9.408
264 HG2 LYS 33 HG2 LYS 33 12.937 12.696 -10.748
265 HG3 LYS 33 HG1 LYS 33 13.426 11.228 -9.903
266 HD2 LYS 33 HD2 LYS 33 12.501 10.660 -12.062
267 HD3 LYS 33 HD1 LYS 33 11.429 10.085 -10.786
268 HE2 LYS 33 HE2 LYS 33 9.966 11.996 -11.129
269 HE3 LYS 33 HE1 LYS 33 11.055 12.629 -12.363
270 HZ1 LYS 33 HZ1 LYS 33 9.568 10.065 -12.508
271 HZ2 LYS 33 HZ2 LYS 33 10.624 10.648 -13.690
272 HZ3 LYS 33 HZ3 LYS 33 9.189 11.477 -13.355
273 H LYS 34 HN LYS 34 13.148 13.011 -5.496
274 HA LYS 34 HA LYS 34 10.458 12.918 -4.442
275 HB2 LYS 34 HB2 LYS 34 13.121 13.175 -3.032
276 HB3 LYS 34 HB1 LYS 34 11.575 12.860 -2.256
277 HG2 LYS 34 HG2 LYS 34 11.406 10.726 -3.394
278 HG3 LYS 34 HG1 LYS 34 12.912 11.045 -4.254
279 HD2 LYS 34 HD2 LYS 34 13.326 9.560 -2.387
280 HD3 LYS 34 HD1 LYS 34 14.099 11.118 -2.096
281 HE2 LYS 34 HE2 LYS 34 13.010 10.293 -0.081
282 HE3 LYS 34 HE1 LYS 34 12.243 11.773 -0.651
283 HZ1 LYS 34 HZ1 LYS 34 10.620 10.111 0.018
284 HZ2 LYS 34 HZ2 LYS 34 11.232 9.024 -1.123
285 HZ3 LYS 34 HZ3 LYS 34 10.486 10.452 -1.631
286 H ARG 35 HN ARG 35 13.209 15.156 -4.367
287 HA ARG 35 HA ARG 35 13.398 17.364 -3.898
288 HB2 ARG 35 HB2 ARG 35 11.939 17.475 -5.912
289 HB3 ARG 35 HB1 ARG 35 10.534 17.484 -4.861
290 HG2 ARG 35 HG2 ARG 35 11.104 19.617 -3.978
291 HG3 ARG 35 HG1 ARG 35 12.686 19.580 -4.758
292 HD2 ARG 35 HD2 ARG 35 10.034 19.618 -6.197
293 HD3 ARG 35 HD1 ARG 35 11.072 21.022 -5.947
294 HE ARG 35 HE ARG 35 12.769 19.439 -7.196
295 HH11 ARG 35 HH11 ARG 35 9.384 19.968 -7.901
296 HH12 ARG 35 HH12 ARG 35 9.561 19.691 -9.603
297 HH21 ARG 35 HH21 ARG 35 13.011 19.061 -9.432
298 HH22 ARG 35 HH22 ARG 35 11.628 19.162 -10.474
299 H GLN 36 HN GLN 36 13.427 16.439 -1.662
300 HA GLN 36 HA GLN 36 12.998 16.620 0.548
301 HB2 GLN 36 HB2 GLN 36 11.437 19.028 -0.386
302 HB3 GLN 36 HB1 GLN 36 11.698 18.635 1.307
303 HG2 GLN 36 HG2 GLN 36 14.069 18.881 1.060
304 HG3 GLN 36 HG1 GLN 36 13.905 19.099 -0.682
305 HE21 GLN 36 HE21 GLN 36 13.124 21.035 -1.480
306 HE22 GLN 36 HE22 GLN 36 13.025 22.464 -0.512
Start of MODEL 7
1 H1 THR 1 HT1 THR 1 -19.352 -0.386 -6.145
2 H2 THR 1 HT2 THR 1 -20.213 0.553 -5.037
3 H3 THR 1 HT3 THR 1 -21.044 -0.432 -6.129
4 HA THR 1 HA THR 1 -20.143 -2.400 -5.099
5 HB THR 1 HB THR 1 -18.993 -0.575 -2.986
6 HG1 THR 1 HG1 THR 1 -17.375 -0.266 -4.315
7 HG21 THR 1 HG21 THR 1 -18.578 -3.503 -3.606
8 HG22 THR 1 HG22 THR 1 -19.534 -2.853 -2.276
9 HG23 THR 1 HG23 THR 1 -17.788 -2.605 -2.311
10 H TRP 2 HN TRP 2 -22.219 -2.899 -4.711
11 HA TRP 2 HA TRP 2 -24.050 -1.355 -3.249
12 HB2 TRP 2 HB2 TRP 2 -24.633 -3.106 -4.917
13 HB3 TRP 2 HB1 TRP 2 -24.113 -4.328 -3.767
14 HD1 TRP 2 HD1 TRP 2 -27.022 -2.042 -4.588
15 HE1 TRP 2 HE1 TRP 2 -29.011 -2.633 -3.062
16 HE3 TRP 2 HE3 TRP 2 -24.648 -5.203 -1.375
17 HZ2 TRP 2 HZ2 TRP 2 -29.500 -4.236 -0.788
18 HZ3 TRP 2 HZ3 TRP 2 -25.938 -6.230 0.450
19 HH2 TRP 2 HH2 TRP 2 -28.318 -5.753 0.737
20 H SER 3 HN SER 3 -22.012 -4.053 -2.341
21 HA SER 3 HA SER 3 -23.019 -3.940 0.393
22 HB2 SER 3 HB2 SER 3 -22.717 -6.127 -0.862
23 HB3 SER 3 HB1 SER 3 -20.979 -5.869 -0.727
24 HG SER 3 HG SER 3 -22.815 -6.644 1.179
25 H GLY 4 HN GLY 4 -22.029 -1.778 0.651
26 HA2 GLY 4 HA2 GLY 4 -20.502 -0.817 2.173
27 HA3 GLY 4 HA1 GLY 4 -19.395 -2.141 1.863
28 H THR 5 HN THR 5 -20.516 0.976 0.811
29 HA THR 5 HA THR 5 -18.888 1.075 -1.545
30 HB THR 5 HB THR 5 -19.440 3.583 -1.376
31 HG1 THR 5 HG1 THR 5 -20.882 4.195 0.139
32 HG21 THR 5 HG21 THR 5 -21.719 3.234 -2.189
33 HG22 THR 5 HG22 THR 5 -21.700 1.589 -1.555
34 HG23 THR 5 HG23 THR 5 -20.617 2.039 -2.869
35 H LYS 6 HN LYS 6 -18.764 2.842 1.546
36 HA LYS 6 HA LYS 6 -16.262 4.045 0.947
37 HB2 LYS 6 HB2 LYS 6 -17.743 3.808 3.566
38 HB3 LYS 6 HB1 LYS 6 -16.323 4.812 3.305
39 HG2 LYS 6 HG2 LYS 6 -17.560 6.091 1.610
40 HG3 LYS 6 HG1 LYS 6 -18.990 5.110 1.940
41 HD2 LYS 6 HD2 LYS 6 -18.925 5.875 4.292
42 HD3 LYS 6 HD1 LYS 6 -17.559 6.916 3.888
43 HE2 LYS 6 HE2 LYS 6 -19.583 8.222 3.885
44 HE3 LYS 6 HE1 LYS 6 -18.979 8.080 2.236
45 HZ1 LYS 6 HZ1 LYS 6 -21.155 6.424 3.396
46 HZ2 LYS 6 HZ2 LYS 6 -20.614 6.382 1.796
47 HZ3 LYS 6 HZ3 LYS 6 -21.387 7.761 2.390
48 H LYS 7 HN LYS 7 -17.202 1.173 2.757
49 HA LYS 7 HA LYS 7 -14.675 0.765 3.967
50 HB2 LYS 7 HB2 LYS 7 -15.432 -1.431 4.556
51 HB3 LYS 7 HB1 LYS 7 -16.784 -0.331 4.734
52 HG2 LYS 7 HG2 LYS 7 -17.792 -2.125 3.736
53 HG3 LYS 7 HG1 LYS 7 -17.395 -1.140 2.329
54 HD2 LYS 7 HD2 LYS 7 -15.359 -2.475 1.985
55 HD3 LYS 7 HD1 LYS 7 -15.784 -3.468 3.379
56 HE2 LYS 7 HE2 LYS 7 -17.464 -3.162 0.896
57 HE3 LYS 7 HE1 LYS 7 -16.383 -4.514 1.225
58 HZ1 LYS 7 HZ1 LYS 7 -18.725 -4.963 1.773
59 HZ2 LYS 7 HZ2 LYS 7 -18.675 -3.750 2.946
60 HZ3 LYS 7 HZ3 LYS 7 -17.701 -5.119 3.108
61 H ARG 8 HN ARG 8 -15.986 0.009 0.834
62 HA ARG 8 HA ARG 8 -13.884 -1.759 0.045
63 HB2 ARG 8 HB2 ARG 8 -16.183 -1.668 -0.994
64 HB3 ARG 8 HB1 ARG 8 -15.730 -0.140 -1.729
65 HG2 ARG 8 HG2 ARG 8 -14.121 -2.621 -2.208
66 HG3 ARG 8 HG1 ARG 8 -15.580 -2.280 -3.135
67 HD2 ARG 8 HD2 ARG 8 -14.611 -0.128 -3.828
68 HD3 ARG 8 HD1 ARG 8 -13.142 -0.514 -2.934
69 HE ARG 8 HE ARG 8 -13.516 -2.622 -4.654
70 HH11 ARG 8 HH11 ARG 8 -13.113 0.837 -4.960
71 HH12 ARG 8 HH12 ARG 8 -12.364 0.741 -6.520
72 HH21 ARG 8 HH21 ARG 8 -12.535 -2.750 -6.727
73 HH22 ARG 8 HH22 ARG 8 -12.039 -1.292 -7.526
74 H ALA 9 HN ALA 9 -14.621 1.667 -0.451
75 HA ALA 9 HA ALA 9 -12.367 2.369 -1.939
76 HB1 ALA 9 HB1 ALA 9 -13.865 4.035 0.081
77 HB2 ALA 9 HB2 ALA 9 -14.288 3.845 -1.620
78 HB3 ALA 9 HB3 ALA 9 -12.784 4.648 -1.171
79 H GLN 10 HN GLN 10 -12.876 2.481 1.576
80 HA GLN 10 HA GLN 10 -10.312 3.425 2.221
81 HB2 GLN 10 HB2 GLN 10 -12.347 1.909 3.842
82 HB3 GLN 10 HB1 GLN 10 -10.847 2.521 4.523
83 HG2 GLN 10 HG2 GLN 10 -11.496 4.795 3.914
84 HG3 GLN 10 HG1 GLN 10 -13.000 4.182 3.230
85 HE21 GLN 10 HE21 GLN 10 -13.356 2.199 5.346
86 HE22 GLN 10 HE22 GLN 10 -13.859 3.079 6.746
87 H ARG 11 HN ARG 11 -11.498 0.140 1.694
88 HA ARG 11 HA ARG 11 -9.190 -1.075 2.863
89 HB2 ARG 11 HB2 ARG 11 -10.055 -3.145 2.226
90 HB3 ARG 11 HB1 ARG 11 -11.488 -2.167 2.496
91 HG2 ARG 11 HG2 ARG 11 -11.697 -1.819 0.083
92 HG3 ARG 11 HG1 ARG 11 -10.270 -2.826 -0.176
93 HD2 ARG 11 HD2 ARG 11 -12.878 -3.689 1.067
94 HD3 ARG 11 HD1 ARG 11 -12.293 -4.119 -0.536
95 HE ARG 11 HE ARG 11 -11.204 -5.080 2.020
96 HH11 ARG 11 HH11 ARG 11 -11.355 -5.273 -1.467
97 HH12 ARG 11 HH12 ARG 11 -10.575 -6.820 -1.547
98 HH21 ARG 11 HH21 ARG 11 -10.178 -7.125 1.923
99 HH22 ARG 11 HH22 ARG 11 -9.904 -7.872 0.382
100 H ILE 12 HN ILE 12 -10.014 0.117 -0.315
101 HA ILE 12 HA ILE 12 -7.913 -1.054 -1.781
102 HB ILE 12 HB ILE 12 -9.263 1.627 -2.160
103 HG12 ILE 12 HG12 ILE 12 -10.781 -0.280 -2.363
104 HG13 ILE 12 HG11 ILE 12 -10.518 0.471 -3.933
105 HG21 ILE 12 HG21 ILE 12 -7.469 0.128 -4.065
106 HG22 ILE 12 HG22 ILE 12 -7.086 1.638 -3.240
107 HG23 ILE 12 HG23 ILE 12 -8.376 1.592 -4.440
108 HD11 ILE 12 HD11 ILE 12 -10.525 -1.923 -4.156
109 HD12 ILE 12 HD12 ILE 12 -9.270 -2.077 -2.929
110 HD13 ILE 12 HD13 ILE 12 -8.900 -1.311 -4.472
111 H LEU 13 HN LEU 13 -8.092 1.800 0.253
112 HA LEU 13 HA LEU 13 -5.596 2.906 -0.251
113 HB2 LEU 13 HB2 LEU 13 -7.476 2.981 2.060
114 HB3 LEU 13 HB1 LEU 13 -5.857 3.605 2.287
115 HG LEU 13 HG LEU 13 -6.223 5.215 0.462
116 HD11 LEU 13 HD11 LEU 13 -8.480 5.553 -0.423
117 HD12 LEU 13 HD12 LEU 13 -9.020 4.100 0.418
118 HD13 LEU 13 HD13 LEU 13 -7.823 3.979 -0.871
119 HD21 LEU 13 HD21 LEU 13 -6.679 5.860 2.758
120 HD22 LEU 13 HD22 LEU 13 -8.329 5.253 2.616
121 HD23 LEU 13 HD23 LEU 13 -7.813 6.639 1.656
122 H ILE 14 HN ILE 14 -6.520 0.203 1.755
123 HA ILE 14 HA ILE 14 -4.112 -0.083 3.190
124 HB ILE 14 HB ILE 14 -6.085 -2.221 2.342
125 HG12 ILE 14 HG12 ILE 14 -5.851 -0.652 4.924
126 HG13 ILE 14 HG11 ILE 14 -7.072 -0.396 3.683
127 HG21 ILE 14 HG21 ILE 14 -5.152 -3.517 4.224
128 HG22 ILE 14 HG22 ILE 14 -3.926 -2.272 4.455
129 HG23 ILE 14 HG23 ILE 14 -3.959 -3.211 2.962
130 HD11 ILE 14 HD11 ILE 14 -6.721 -2.905 5.307
131 HD12 ILE 14 HD12 ILE 14 -7.962 -2.621 4.085
132 HD13 ILE 14 HD13 ILE 14 -7.945 -1.662 5.566
133 H PHE 15 HN PHE 15 -5.256 -1.552 0.175
134 HA PHE 15 HA PHE 15 -2.931 -3.084 -0.302
135 HB2 PHE 15 HB2 PHE 15 -5.074 -2.122 -2.204
136 HB3 PHE 15 HB1 PHE 15 -3.843 -3.312 -2.606
137 HD1 PHE 15 HD1 PHE 15 -3.865 -5.526 -1.532
138 HD2 PHE 15 HD2 PHE 15 -6.956 -2.684 -0.880
139 HE1 PHE 15 HE1 PHE 15 -5.309 -7.307 -0.637
140 HE2 PHE 15 HE2 PHE 15 -8.403 -4.449 0.018
141 HZ PHE 15 HZ PHE 15 -7.584 -6.770 0.139
142 H LEU 16 HN LEU 16 -3.939 0.132 -1.363
143 HA LEU 16 HA LEU 16 -1.731 0.522 -3.101
144 HB2 LEU 16 HB2 LEU 16 -2.561 2.623 -3.495
145 HB3 LEU 16 HB1 LEU 16 -3.999 1.784 -2.965
146 HG LEU 16 HG LEU 16 -3.455 2.793 -0.636
147 HD11 LEU 16 HD11 LEU 16 -1.205 3.574 -1.318
148 HD12 LEU 16 HD12 LEU 16 -2.233 4.859 -0.675
149 HD13 LEU 16 HD13 LEU 16 -1.975 4.720 -2.414
150 HD21 LEU 16 HD21 LEU 16 -4.345 4.596 -2.882
151 HD22 LEU 16 HD22 LEU 16 -4.765 4.738 -1.174
152 HD23 LEU 16 HD23 LEU 16 -5.362 3.374 -2.119
153 H LEU 17 HN LEU 17 -2.252 1.090 0.317
154 HA LEU 17 HA LEU 17 0.153 2.532 0.768
155 HB2 LEU 17 HB2 LEU 17 -1.966 2.206 2.272
156 HB3 LEU 17 HB1 LEU 17 -1.133 0.774 2.834
157 HG LEU 17 HG LEU 17 0.098 3.526 2.978
158 HD11 LEU 17 HD11 LEU 17 -0.585 3.562 5.327
159 HD12 LEU 17 HD12 LEU 17 -1.497 2.073 5.081
160 HD13 LEU 17 HD13 LEU 17 -1.977 3.549 4.243
161 HD21 LEU 17 HD21 LEU 17 0.694 0.956 4.439
162 HD22 LEU 17 HD22 LEU 17 1.514 2.499 4.680
163 HD23 LEU 17 HD23 LEU 17 1.658 1.654 3.138
164 H GLU 18 HN GLU 18 -0.747 -0.888 1.041
165 HA GLU 18 HA GLU 18 1.727 -1.910 1.825
166 HB2 GLU 18 HB2 GLU 18 -0.470 -3.131 0.156
167 HB3 GLU 18 HB1 GLU 18 0.928 -4.033 0.724
168 HG2 GLU 18 HG2 GLU 18 -1.077 -2.641 2.484
169 HG3 GLU 18 HG1 GLU 18 -1.042 -4.369 2.136
170 H PHE 19 HN PHE 19 0.446 -1.209 -1.393
171 HA PHE 19 HA PHE 19 2.585 -2.168 -2.919
172 HB2 PHE 19 HB2 PHE 19 0.487 -1.489 -3.952
173 HB3 PHE 19 HB1 PHE 19 0.751 0.180 -3.455
174 HD1 PHE 19 HD2 PHE 19 2.204 -2.529 -5.530
175 HD2 PHE 19 HD1 PHE 19 1.885 1.655 -4.847
176 HE1 PHE 19 HE2 PHE 19 3.419 -2.099 -7.623
177 HE2 PHE 19 HE1 PHE 19 3.101 2.096 -6.938
178 HZ PHE 19 HZ PHE 19 3.871 0.214 -8.327
179 H LEU 20 HN LEU 20 2.015 1.097 -1.609
180 HA LEU 20 HA LEU 20 4.334 2.308 -2.543
181 HB2 LEU 20 HB2 LEU 20 2.425 2.804 -0.341
182 HB3 LEU 20 HB1 LEU 20 3.976 3.607 -0.217
183 HG LEU 20 HG LEU 20 3.607 4.850 -2.207
184 HD11 LEU 20 HD11 LEU 20 2.668 3.099 -3.607
185 HD12 LEU 20 HD12 LEU 20 1.644 4.534 -3.640
186 HD13 LEU 20 HD13 LEU 20 1.171 3.134 -2.675
187 HD21 LEU 20 HD21 LEU 20 1.036 4.686 -0.652
188 HD22 LEU 20 HD22 LEU 20 1.514 6.014 -1.711
189 HD23 LEU 20 HD23 LEU 20 2.437 5.678 -0.246
190 H LEU 21 HN LEU 21 3.854 0.309 0.317
191 HA LEU 21 HA LEU 21 6.441 0.791 1.423
192 HB2 LEU 21 HB2 LEU 21 4.644 -1.598 1.850
193 HB3 LEU 21 HB1 LEU 21 5.959 -1.081 2.887
194 HG LEU 21 HG LEU 21 3.425 0.474 2.404
195 HD11 LEU 21 HD11 LEU 21 2.865 -0.168 4.708
196 HD12 LEU 21 HD12 LEU 21 4.292 -1.203 4.751
197 HD13 LEU 21 HD13 LEU 21 2.977 -1.563 3.635
198 HD21 LEU 21 HD21 LEU 21 5.697 0.918 4.343
199 HD22 LEU 21 HD22 LEU 21 4.195 1.841 4.290
200 HD23 LEU 21 HD23 LEU 21 5.320 1.911 2.935
201 H ASP 22 HN ASP 22 5.031 -1.946 -0.344
202 HA ASP 22 HA ASP 22 7.371 -3.500 -0.437
203 HB2 ASP 22 HB2 ASP 22 5.216 -4.510 -0.850
204 HB3 ASP 22 HB1 ASP 22 4.969 -3.494 -2.267
205 H PHE 23 HN PHE 23 6.046 -1.178 -2.751
206 HA PHE 23 HA PHE 23 7.923 -1.564 -4.801
207 HB2 PHE 23 HB2 PHE 23 5.804 -0.312 -5.059
208 HB3 PHE 23 HB1 PHE 23 6.454 0.972 -4.050
209 HD1 PHE 23 HD2 PHE 23 6.934 -0.808 -7.260
210 HD2 PHE 23 HD1 PHE 23 7.760 2.683 -4.972
211 HE1 PHE 23 HE2 PHE 23 7.874 0.277 -9.260
212 HE2 PHE 23 HE1 PHE 23 8.698 3.772 -6.967
213 HZ PHE 23 HZ PHE 23 8.758 2.569 -9.112
214 H CYS 24 HN CYS 24 8.073 0.152 -1.807
215 HA CYS 24 HA CYS 24 10.651 1.353 -2.549
216 HB2 CYS 24 HB2 CYS 24 8.756 2.106 -0.330
217 HB3 CYS 24 HB1 CYS 24 10.232 2.956 -0.756
218 HG CYS 24 HG CYS 24 7.189 3.144 -2.107
219 H THR 25 HN THR 25 10.595 -1.359 -1.813
220 HA THR 25 HA THR 25 11.523 -1.386 0.952
221 HB THR 25 HB THR 25 11.785 -3.899 0.533
222 HG1 THR 25 HG1 THR 25 10.077 -3.311 -1.681
223 HG21 THR 25 HG21 THR 25 9.370 -4.301 0.834
224 HG22 THR 25 HG22 THR 25 9.054 -2.623 0.389
225 HG23 THR 25 HG23 THR 25 9.966 -2.992 1.851
226 H GLY 26 HN GLY 26 12.870 -3.526 -1.460
227 HA2 GLY 26 HA2 GLY 26 15.500 -2.938 -0.449
228 HA3 GLY 26 HA1 GLY 26 15.093 -4.132 -1.669
229 H GLU 27 HN GLU 27 13.669 -2.003 -3.252
230 HA GLU 27 HA GLU 27 15.996 -1.180 -4.742
231 HB2 GLU 27 HB2 GLU 27 13.053 -0.704 -5.225
232 HB3 GLU 27 HB1 GLU 27 14.334 -0.231 -6.333
233 HG2 GLU 27 HG2 GLU 27 14.999 -2.594 -6.532
234 HG3 GLU 27 HG1 GLU 27 13.655 -3.038 -5.484
235 H ASP 28 HN ASP 28 13.975 0.177 -2.356
236 HA ASP 28 HA ASP 28 14.812 2.901 -2.974
237 HB2 ASP 28 HB2 ASP 28 12.506 2.658 -2.266
238 HB3 ASP 28 HB1 ASP 28 13.006 1.816 -0.802
239 H SER 29 HN SER 29 15.091 0.522 -0.360
240 HA SER 29 HA SER 29 16.858 2.068 1.220
241 HB2 SER 29 HB2 SER 29 16.488 -0.936 1.177
242 HB3 SER 29 HB1 SER 29 17.211 0.009 2.479
243 HG SER 29 HG SER 29 14.562 -0.386 1.837
244 H VAL 30 HN VAL 30 19.111 1.711 1.589
245 HA VAL 30 HA VAL 30 20.487 0.718 -0.807
246 HB VAL 30 HB VAL 30 20.746 3.120 -0.558
247 HG11 VAL 30 HG11 VAL 30 20.417 3.359 1.827
248 HG12 VAL 30 HG12 VAL 30 21.934 4.116 1.336
249 HG13 VAL 30 HG13 VAL 30 21.951 2.546 2.141
250 HG21 VAL 30 HG21 VAL 30 23.200 3.262 -0.565
251 HG22 VAL 30 HG22 VAL 30 22.593 1.914 -1.526
252 HG23 VAL 30 HG23 VAL 30 23.278 1.619 0.070
253 H ASP 31 HN ASP 31 20.154 -1.328 0.348
254 HA ASP 31 HA ASP 31 21.754 -1.872 2.680
255 HB2 ASP 31 HB2 ASP 31 20.243 -3.728 0.827
256 HB3 ASP 31 HB1 ASP 31 21.003 -4.211 2.339
257 H GLY 32 HN GLY 32 23.348 -3.673 2.665
258 HA2 GLY 32 HA2 GLY 32 25.331 -3.090 0.657
259 HA3 GLY 32 HA1 GLY 32 25.535 -4.125 2.061
260 H LYS 33 HN LYS 33 23.538 -4.127 -0.890
261 HA LYS 33 HA LYS 33 23.685 -6.973 -1.154
262 HB2 LYS 33 HB2 LYS 33 22.770 -4.834 -3.083
263 HB3 LYS 33 HB1 LYS 33 22.618 -6.559 -3.368
264 HG2 LYS 33 HG2 LYS 33 21.171 -6.764 -1.417
265 HG3 LYS 33 HG1 LYS 33 21.336 -5.035 -1.115
266 HD2 LYS 33 HD2 LYS 33 19.280 -5.257 -2.227
267 HD3 LYS 33 HD1 LYS 33 20.400 -4.702 -3.466
268 HE2 LYS 33 HE2 LYS 33 19.744 -7.608 -3.046
269 HE3 LYS 33 HE1 LYS 33 18.802 -6.570 -4.109
270 HZ1 LYS 33 HZ1 LYS 33 20.398 -7.724 -5.408
271 HZ2 LYS 33 HZ2 LYS 33 21.664 -7.290 -4.389
272 HZ3 LYS 33 HZ3 LYS 33 20.902 -6.113 -5.331
273 H LYS 34 HN LYS 34 25.450 -4.239 -2.426
274 HA LYS 34 HA LYS 34 26.935 -5.821 -4.322
275 HB2 LYS 34 HB2 LYS 34 27.370 -2.985 -3.371
276 HB3 LYS 34 HB1 LYS 34 28.208 -3.748 -4.712
277 HG2 LYS 34 HG2 LYS 34 26.139 -3.945 -5.944
278 HG3 LYS 34 HG1 LYS 34 25.235 -3.285 -4.580
279 HD2 LYS 34 HD2 LYS 34 25.572 -1.555 -6.225
280 HD3 LYS 34 HD1 LYS 34 26.531 -1.186 -4.792
281 HE2 LYS 34 HE2 LYS 34 28.521 -2.073 -5.895
282 HE3 LYS 34 HE1 LYS 34 27.563 -2.469 -7.318
283 HZ1 LYS 34 HZ1 LYS 34 28.727 -0.402 -7.645
284 HZ2 LYS 34 HZ2 LYS 34 28.051 0.251 -6.240
285 HZ3 LYS 34 HZ3 LYS 34 27.065 -0.101 -7.564
286 H ARG 35 HN ARG 35 26.970 -5.616 -1.084
287 HA ARG 35 HA ARG 35 29.835 -5.705 -0.666
288 HB2 ARG 35 HB2 ARG 35 28.255 -4.698 0.994
289 HB3 ARG 35 HB1 ARG 35 27.570 -6.295 1.255
290 HG2 ARG 35 HG2 ARG 35 29.720 -7.089 2.090
291 HG3 ARG 35 HG1 ARG 35 30.416 -5.489 1.817
292 HD2 ARG 35 HD2 ARG 35 28.167 -6.179 3.702
293 HD3 ARG 35 HD1 ARG 35 29.815 -5.742 4.149
294 HE ARG 35 HE ARG 35 28.969 -3.613 2.693
295 HH11 ARG 35 HH11 ARG 35 27.718 -5.302 5.492
296 HH12 ARG 35 HH12 ARG 35 26.901 -3.914 6.132
297 HH21 ARG 35 HH21 ARG 35 27.897 -1.775 3.529
298 HH22 ARG 35 HH22 ARG 35 27.021 -1.898 5.020
299 H GLN 36 HN GLN 36 30.976 -7.586 -0.069
300 HA GLN 36 HA GLN 36 29.698 -10.041 -0.999
301 HB2 GLN 36 HB2 GLN 36 32.592 -9.336 -0.493
302 HB3 GLN 36 HB1 GLN 36 32.048 -10.944 -0.947
303 HG2 GLN 36 HG2 GLN 36 31.694 -8.443 -2.585
304 HG3 GLN 36 HG1 GLN 36 32.892 -9.706 -2.865
305 HE21 GLN 36 HE21 GLN 36 30.766 -8.740 -4.614
306 HE22 GLN 36 HE22 GLN 36 29.783 -10.118 -4.978
Start of MODEL 8
1 H1 THR 1 HT1 THR 1 -24.251 -2.462 5.864
2 H2 THR 1 HT2 THR 1 -22.984 -1.340 5.884
3 H3 THR 1 HT3 THR 1 -24.155 -1.316 7.102
4 HA THR 1 HA THR 1 -23.440 -3.426 7.931
5 HB THR 1 HB THR 1 -21.230 -4.305 6.934
6 HG1 THR 1 HG1 THR 1 -21.676 -3.646 4.430
7 HG21 THR 1 HG21 THR 1 -22.430 -5.612 5.214
8 HG22 THR 1 HG22 THR 1 -23.805 -4.519 5.370
9 HG23 THR 1 HG23 THR 1 -23.320 -5.525 6.732
10 H TRP 2 HN TRP 2 -22.252 -3.187 9.748
11 HA TRP 2 HA TRP 2 -20.958 -0.751 10.318
12 HB2 TRP 2 HB2 TRP 2 -21.033 -3.409 11.728
13 HB3 TRP 2 HB1 TRP 2 -20.069 -2.072 12.344
14 HD1 TRP 2 HD1 TRP 2 -21.318 -0.123 13.563
15 HE1 TRP 2 HE1 TRP 2 -23.743 0.210 14.356
16 HE3 TRP 2 HE3 TRP 2 -23.527 -3.983 11.039
17 HZ2 TRP 2 HZ2 TRP 2 -26.261 -1.013 13.961
18 HZ3 TRP 2 HZ3 TRP 2 -25.946 -4.330 11.301
19 HH2 TRP 2 HH2 TRP 2 -27.284 -2.877 12.731
20 H SER 3 HN SER 3 -19.049 -0.068 9.718
21 HA SER 3 HA SER 3 -16.936 0.021 8.913
22 HB2 SER 3 HB2 SER 3 -16.582 -2.683 10.226
23 HB3 SER 3 HB1 SER 3 -15.308 -1.547 9.790
24 HG SER 3 HG SER 3 -16.735 -1.661 12.042
25 H GLY 4 HN GLY 4 -18.819 -0.773 7.108
26 HA2 GLY 4 HA2 GLY 4 -17.212 -2.433 5.320
27 HA3 GLY 4 HA1 GLY 4 -18.833 -3.004 5.690
28 H THR 5 HN THR 5 -20.295 -0.706 5.687
29 HA THR 5 HA THR 5 -20.978 -0.359 3.059
30 HB THR 5 HB THR 5 -21.418 1.974 4.834
31 HG1 THR 5 HG1 THR 5 -21.787 0.635 6.470
32 HG21 THR 5 HG21 THR 5 -23.249 0.163 3.271
33 HG22 THR 5 HG22 THR 5 -22.585 1.693 2.696
34 HG23 THR 5 HG23 THR 5 -23.711 1.672 4.055
35 H LYS 6 HN LYS 6 -19.071 1.901 5.054
36 HA LYS 6 HA LYS 6 -18.317 3.317 2.597
37 HB2 LYS 6 HB2 LYS 6 -18.157 4.202 5.482
38 HB3 LYS 6 HB1 LYS 6 -17.674 5.172 4.098
39 HG2 LYS 6 HG2 LYS 6 -19.993 5.050 3.252
40 HG3 LYS 6 HG1 LYS 6 -20.446 4.185 4.721
41 HD2 LYS 6 HD2 LYS 6 -21.009 6.530 4.940
42 HD3 LYS 6 HD1 LYS 6 -19.706 6.123 6.058
43 HE2 LYS 6 HE2 LYS 6 -19.350 8.279 4.908
44 HE3 LYS 6 HE1 LYS 6 -18.073 7.111 4.581
45 HZ1 LYS 6 HZ1 LYS 6 -20.355 7.656 2.760
46 HZ2 LYS 6 HZ2 LYS 6 -19.028 6.659 2.441
47 HZ3 LYS 6 HZ3 LYS 6 -18.813 8.327 2.593
48 H LYS 7 HN LYS 7 -17.122 0.794 3.532
49 HA LYS 7 HA LYS 7 -14.346 1.736 3.864
50 HB2 LYS 7 HB2 LYS 7 -15.562 -0.874 4.786
51 HB3 LYS 7 HB1 LYS 7 -13.865 -0.446 4.927
52 HG2 LYS 7 HG2 LYS 7 -16.148 0.997 6.261
53 HG3 LYS 7 HG1 LYS 7 -15.074 -0.167 7.035
54 HD2 LYS 7 HD2 LYS 7 -14.223 2.457 5.806
55 HD3 LYS 7 HD1 LYS 7 -14.439 2.156 7.530
56 HE2 LYS 7 HE2 LYS 7 -12.688 0.423 7.417
57 HE3 LYS 7 HE1 LYS 7 -12.447 0.802 5.713
58 HZ1 LYS 7 HZ1 LYS 7 -11.958 2.590 8.025
59 HZ2 LYS 7 HZ2 LYS 7 -11.896 3.100 6.420
60 HZ3 LYS 7 HZ3 LYS 7 -10.801 1.938 6.979
61 H ARG 8 HN ARG 8 -15.898 1.353 1.409
62 HA ARG 8 HA ARG 8 -14.925 -1.101 0.224
63 HB2 ARG 8 HB2 ARG 8 -17.204 0.008 -0.205
64 HB3 ARG 8 HB1 ARG 8 -16.331 1.164 -1.192
65 HG2 ARG 8 HG2 ARG 8 -16.278 -1.804 -1.679
66 HG3 ARG 8 HG1 ARG 8 -17.435 -0.711 -2.432
67 HD2 ARG 8 HD2 ARG 8 -14.435 -0.660 -2.720
68 HD3 ARG 8 HD1 ARG 8 -15.610 -1.126 -3.950
69 HE ARG 8 HE ARG 8 -16.161 1.498 -3.092
70 HH11 ARG 8 HH11 ARG 8 -13.773 -0.297 -4.916
71 HH12 ARG 8 HH12 ARG 8 -13.304 1.063 -5.885
72 HH21 ARG 8 HH21 ARG 8 -15.541 3.297 -4.356
73 HH22 ARG 8 HH22 ARG 8 -14.307 3.113 -5.562
74 H ALA 9 HN ALA 9 -14.551 2.394 -0.466
75 HA ALA 9 HA ALA 9 -12.324 1.912 -2.222
76 HB1 ALA 9 HB1 ALA 9 -13.814 3.822 -2.566
77 HB2 ALA 9 HB2 ALA 9 -12.146 4.343 -2.334
78 HB3 ALA 9 HB3 ALA 9 -13.309 4.498 -1.017
79 H GLN 10 HN GLN 10 -12.775 2.469 1.144
80 HA GLN 10 HA GLN 10 -10.086 3.302 1.680
81 HB2 GLN 10 HB2 GLN 10 -12.348 2.419 3.460
82 HB3 GLN 10 HB1 GLN 10 -10.760 2.842 4.086
83 HG2 GLN 10 HG2 GLN 10 -12.567 4.657 2.505
84 HG3 GLN 10 HG1 GLN 10 -12.318 4.705 4.249
85 HE21 GLN 10 HE21 GLN 10 -10.366 5.457 5.061
86 HE22 GLN 10 HE22 GLN 10 -9.269 6.383 4.102
87 H ARG 11 HN ARG 11 -11.568 0.268 1.119
88 HA ARG 11 HA ARG 11 -9.621 -1.261 2.578
89 HB2 ARG 11 HB2 ARG 11 -10.651 -3.176 1.748
90 HB3 ARG 11 HB1 ARG 11 -11.981 -2.025 1.759
91 HG2 ARG 11 HG2 ARG 11 -11.659 -1.630 -0.629
92 HG3 ARG 11 HG1 ARG 11 -10.332 -2.793 -0.642
93 HD2 ARG 11 HD2 ARG 11 -13.198 -3.392 0.083
94 HD3 ARG 11 HD1 ARG 11 -12.422 -3.778 -1.451
95 HE ARG 11 HE ARG 11 -11.010 -4.898 0.759
96 HH11 ARG 11 HH11 ARG 11 -13.797 -5.352 -1.322
97 HH12 ARG 11 HH12 ARG 11 -13.865 -7.066 -1.067
98 HH21 ARG 11 HH21 ARG 11 -11.094 -7.149 1.091
99 HH22 ARG 11 HH22 ARG 11 -12.324 -8.089 0.305
100 H ILE 12 HN ILE 12 -9.903 0.195 -0.545
101 HA ILE 12 HA ILE 12 -7.775 -1.142 -1.851
102 HB ILE 12 HB ILE 12 -8.831 1.652 -2.342
103 HG12 ILE 12 HG12 ILE 12 -9.615 -0.970 -3.632
104 HG13 ILE 12 HG11 ILE 12 -10.583 -0.093 -2.453
105 HG21 ILE 12 HG21 ILE 12 -7.258 -0.199 -4.135
106 HG22 ILE 12 HG22 ILE 12 -6.663 1.284 -3.388
107 HG23 ILE 12 HG23 ILE 12 -7.934 1.360 -4.608
108 HD11 ILE 12 HD11 ILE 12 -9.823 0.872 -5.201
109 HD12 ILE 12 HD12 ILE 12 -10.759 1.784 -4.019
110 HD13 ILE 12 HD13 ILE 12 -11.406 0.290 -4.693
111 H LEU 13 HN LEU 13 -7.998 1.537 0.346
112 HA LEU 13 HA LEU 13 -5.495 2.692 0.116
113 HB2 LEU 13 HB2 LEU 13 -7.402 3.539 1.476
114 HB3 LEU 13 HB1 LEU 13 -7.132 2.255 2.628
115 HG LEU 13 HG LEU 13 -6.321 4.552 3.292
116 HD11 LEU 13 HD11 LEU 13 -4.276 2.343 3.241
117 HD12 LEU 13 HD12 LEU 13 -5.540 2.571 4.450
118 HD13 LEU 13 HD13 LEU 13 -4.244 3.757 4.295
119 HD21 LEU 13 HD21 LEU 13 -4.183 3.982 1.254
120 HD22 LEU 13 HD22 LEU 13 -4.187 5.312 2.413
121 HD23 LEU 13 HD23 LEU 13 -5.413 5.241 1.147
122 H ILE 14 HN ILE 14 -6.514 -0.232 1.794
123 HA ILE 14 HA ILE 14 -4.154 -0.755 3.221
124 HB ILE 14 HB ILE 14 -6.077 -2.779 2.050
125 HG12 ILE 14 HG12 ILE 14 -6.081 -1.458 4.777
126 HG13 ILE 14 HG11 ILE 14 -7.186 -1.067 3.464
127 HG21 ILE 14 HG21 ILE 14 -5.284 -4.237 3.858
128 HG22 ILE 14 HG22 ILE 14 -4.129 -2.996 4.345
129 HG23 ILE 14 HG23 ILE 14 -3.974 -3.773 2.770
130 HD11 ILE 14 HD11 ILE 14 -8.097 -3.324 3.553
131 HD12 ILE 14 HD12 ILE 14 -8.232 -2.514 5.114
132 HD13 ILE 14 HD13 ILE 14 -6.979 -3.728 4.855
133 H PHE 15 HN PHE 15 -5.195 -1.796 -0.005
134 HA PHE 15 HA PHE 15 -2.880 -3.294 -0.625
135 HB2 PHE 15 HB2 PHE 15 -4.857 -1.926 -2.472
136 HB3 PHE 15 HB1 PHE 15 -3.653 -3.101 -2.980
137 HD1 PHE 15 HD2 PHE 15 -6.758 -2.620 -1.081
138 HD2 PHE 15 HD1 PHE 15 -3.986 -5.434 -2.651
139 HE1 PHE 15 HE2 PHE 15 -8.363 -4.430 -0.649
140 HE2 PHE 15 HE1 PHE 15 -5.586 -7.252 -2.223
141 HZ PHE 15 HZ PHE 15 -7.777 -6.751 -1.221
142 H LEU 16 HN LEU 16 -3.797 0.075 -1.260
143 HA LEU 16 HA LEU 16 -1.476 0.635 -2.797
144 HB2 LEU 16 HB2 LEU 16 -2.322 2.734 -3.084
145 HB3 LEU 16 HB1 LEU 16 -3.781 1.854 -2.690
146 HG LEU 16 HG LEU 16 -3.393 2.699 -0.280
147 HD11 LEU 16 HD11 LEU 16 -1.083 3.511 -0.795
148 HD12 LEU 16 HD12 LEU 16 -2.137 4.709 -0.040
149 HD13 LEU 16 HD13 LEU 16 -1.816 4.783 -1.773
150 HD21 LEU 16 HD21 LEU 16 -5.212 3.409 -1.764
151 HD22 LEU 16 HD22 LEU 16 -4.144 4.602 -2.498
152 HD23 LEU 16 HD23 LEU 16 -4.601 4.753 -0.803
153 H LEU 17 HN LEU 17 -2.241 0.827 0.614
154 HA LEU 17 HA LEU 17 0.019 2.240 1.477
155 HB2 LEU 17 HB2 LEU 17 -1.852 1.775 2.948
156 HB3 LEU 17 HB1 LEU 17 -1.561 0.051 2.824
157 HG LEU 17 HG LEU 17 0.586 0.337 4.000
158 HD11 LEU 17 HD11 LEU 17 1.080 2.472 5.092
159 HD12 LEU 17 HD12 LEU 17 -0.291 3.207 4.262
160 HD13 LEU 17 HD13 LEU 17 1.085 2.614 3.334
161 HD21 LEU 17 HD21 LEU 17 -0.369 0.822 6.202
162 HD22 LEU 17 HD22 LEU 17 -1.422 -0.223 5.249
163 HD23 LEU 17 HD23 LEU 17 -1.806 1.489 5.426
164 H GLU 18 HN GLU 18 -0.530 -1.262 1.282
165 HA GLU 18 HA GLU 18 2.109 -2.033 1.851
166 HB2 GLU 18 HB2 GLU 18 -0.058 -3.446 0.298
167 HB3 GLU 18 HB1 GLU 18 1.451 -4.201 0.779
168 HG2 GLU 18 HG2 GLU 18 0.816 -3.549 3.161
169 HG3 GLU 18 HG1 GLU 18 -0.794 -3.240 2.511
170 H PHE 19 HN PHE 19 0.556 -1.041 -1.110
171 HA PHE 19 HA PHE 19 2.557 -1.858 -2.923
172 HB2 PHE 19 HB2 PHE 19 0.291 -1.140 -3.617
173 HB3 PHE 19 HB1 PHE 19 0.674 0.505 -3.122
174 HD1 PHE 19 HD2 PHE 19 1.321 -2.121 -5.592
175 HD2 PHE 19 HD1 PHE 19 2.060 1.917 -4.478
176 HE1 PHE 19 HE2 PHE 19 2.215 -1.669 -7.836
177 HE2 PHE 19 HE1 PHE 19 2.956 2.377 -6.721
178 HZ PHE 19 HZ PHE 19 3.035 0.583 -8.403
179 H LEU 20 HN LEU 20 1.994 1.247 -1.271
180 HA LEU 20 HA LEU 20 4.236 2.599 -2.248
181 HB2 LEU 20 HB2 LEU 20 2.431 2.877 0.086
182 HB3 LEU 20 HB1 LEU 20 3.951 3.742 0.153
183 HG LEU 20 HG LEU 20 3.395 5.078 -1.726
184 HD11 LEU 20 HD11 LEU 20 2.446 3.390 -3.182
185 HD12 LEU 20 HD12 LEU 20 1.343 4.758 -3.038
186 HD13 LEU 20 HD13 LEU 20 1.023 3.268 -2.149
187 HD21 LEU 20 HD21 LEU 20 2.325 5.751 0.338
188 HD22 LEU 20 HD22 LEU 20 0.953 4.701 -0.010
189 HD23 LEU 20 HD23 LEU 20 1.274 6.100 -1.034
190 H LEU 21 HN LEU 21 3.890 0.454 0.538
191 HA LEU 21 HA LEU 21 6.441 0.915 1.661
192 HB2 LEU 21 HB2 LEU 21 4.835 -1.640 1.771
193 HB3 LEU 21 HB1 LEU 21 6.089 -1.142 2.889
194 HG LEU 21 HG LEU 21 3.419 0.203 2.532
195 HD11 LEU 21 HD11 LEU 21 4.484 -1.495 4.782
196 HD12 LEU 21 HD12 LEU 21 3.252 -1.975 3.616
197 HD13 LEU 21 HD13 LEU 21 2.927 -0.670 4.754
198 HD21 LEU 21 HD21 LEU 21 5.661 0.762 4.469
199 HD22 LEU 21 HD22 LEU 21 4.060 1.503 4.515
200 HD23 LEU 21 HD23 LEU 21 5.133 1.806 3.147
201 H ASP 22 HN ASP 22 5.251 -1.531 -0.594
202 HA ASP 22 HA ASP 22 7.775 -2.817 -0.941
203 HB2 ASP 22 HB2 ASP 22 5.638 -3.958 -1.373
204 HB3 ASP 22 HB1 ASP 22 5.322 -2.861 -2.713
205 H PHE 23 HN PHE 23 6.124 -0.189 -2.507
206 HA PHE 23 HA PHE 23 7.827 0.084 -4.753
207 HB2 PHE 23 HB2 PHE 23 5.558 1.116 -4.496
208 HB3 PHE 23 HB1 PHE 23 6.242 2.231 -3.321
209 HD1 PHE 23 HD1 PHE 23 6.397 1.180 -6.863
210 HD2 PHE 23 HD2 PHE 23 7.313 4.201 -4.009
211 HE1 PHE 23 HE1 PHE 23 6.968 2.726 -8.688
212 HE2 PHE 23 HE2 PHE 23 7.888 5.752 -5.831
213 HZ PHE 23 HZ PHE 23 7.715 5.015 -8.171
214 H CYS 24 HN CYS 24 8.051 1.037 -1.424
215 HA CYS 24 HA CYS 24 10.238 2.870 -1.853
216 HB2 CYS 24 HB2 CYS 24 8.603 3.237 -0.043
217 HB3 CYS 24 HB1 CYS 24 9.120 1.737 0.720
218 HG CYS 24 HG CYS 24 11.380 4.220 0.159
219 H THR 25 HN THR 25 9.845 -0.511 -1.128
220 HA THR 25 HA THR 25 12.554 -0.803 -0.184
221 HB THR 25 HB THR 25 11.993 -3.295 -0.349
222 HG1 THR 25 HG1 THR 25 9.659 -3.645 -0.381
223 HG21 THR 25 HG21 THR 25 10.635 -3.231 1.692
224 HG22 THR 25 HG22 THR 25 10.317 -1.517 1.420
225 HG23 THR 25 HG23 THR 25 11.959 -2.068 1.756
226 H GLY 26 HN GLY 26 10.848 -2.422 -2.890
227 HA2 GLY 26 HA2 GLY 26 11.632 -3.013 -4.982
228 HA3 GLY 26 HA1 GLY 26 12.873 -1.777 -4.795
229 H GLU 27 HN GLU 27 12.073 -4.802 -3.148
230 HA GLU 27 HA GLU 27 14.769 -5.372 -2.491
231 HB2 GLU 27 HB2 GLU 27 12.398 -7.242 -2.484
232 HB3 GLU 27 HB1 GLU 27 13.893 -7.435 -1.576
233 HG2 GLU 27 HG2 GLU 27 13.382 -5.478 -0.253
234 HG3 GLU 27 HG1 GLU 27 11.928 -5.188 -1.205
235 H ASP 28 HN ASP 28 12.879 -5.970 -5.275
236 HA ASP 28 HA ASP 28 14.517 -8.191 -6.183
237 HB2 ASP 28 HB2 ASP 28 13.032 -8.283 -8.086
238 HB3 ASP 28 HB1 ASP 28 12.062 -8.124 -6.627
239 H SER 29 HN SER 29 15.034 -5.040 -5.923
240 HA SER 29 HA SER 29 16.617 -3.648 -6.749
241 HB2 SER 29 HB2 SER 29 17.956 -5.784 -7.004
242 HB3 SER 29 HB1 SER 29 17.403 -5.845 -8.676
243 HG SER 29 HG SER 29 19.162 -4.042 -7.433
244 H VAL 30 HN VAL 30 17.513 -3.249 -9.365
245 HA VAL 30 HA VAL 30 16.933 -1.753 -10.973
246 HB VAL 30 HB VAL 30 16.748 -3.946 -12.086
247 HG11 VAL 30 HG11 VAL 30 13.786 -3.702 -11.613
248 HG12 VAL 30 HG12 VAL 30 14.862 -4.909 -10.912
249 HG13 VAL 30 HG13 VAL 30 14.570 -4.892 -12.651
250 HG21 VAL 30 HG21 VAL 30 14.911 -1.784 -13.070
251 HG22 VAL 30 HG22 VAL 30 15.452 -3.149 -14.046
252 HG23 VAL 30 HG23 VAL 30 16.625 -1.983 -13.429
253 H ASP 31 HN ASP 31 16.015 -0.532 -9.080
254 HA ASP 31 HA ASP 31 13.167 -0.287 -8.877
255 HB2 ASP 31 HB2 ASP 31 14.600 0.078 -6.922
256 HB3 ASP 31 HB1 ASP 31 15.389 1.425 -7.735
257 H GLY 32 HN GLY 32 11.897 0.916 -10.109
258 HA2 GLY 32 HA2 GLY 32 11.248 2.964 -11.095
259 HA3 GLY 32 HA1 GLY 32 12.943 3.411 -11.221
260 H LYS 33 HN LYS 33 14.014 1.240 -12.490
261 HA LYS 33 HA LYS 33 14.433 0.431 -14.565
262 HB2 LYS 33 HB2 LYS 33 11.411 0.416 -14.732
263 HB3 LYS 33 HB1 LYS 33 12.479 -0.371 -15.889
264 HG2 LYS 33 HG2 LYS 33 13.297 -1.866 -14.208
265 HG3 LYS 33 HG1 LYS 33 12.412 -1.006 -12.949
266 HD2 LYS 33 HD2 LYS 33 10.300 -1.638 -14.025
267 HD3 LYS 33 HD1 LYS 33 11.202 -2.521 -15.259
268 HE2 LYS 33 HE2 LYS 33 10.360 -4.023 -13.524
269 HE3 LYS 33 HE1 LYS 33 12.122 -3.995 -13.549
270 HZ1 LYS 33 HZ1 LYS 33 10.422 -2.460 -11.657
271 HZ2 LYS 33 HZ2 LYS 33 12.113 -2.520 -11.653
272 HZ3 LYS 33 HZ3 LYS 33 11.213 -3.909 -11.293
273 H LYS 34 HN LYS 34 15.096 2.849 -14.584
274 HA LYS 34 HA LYS 34 13.541 4.620 -16.174
275 HB2 LYS 34 HB2 LYS 34 15.511 6.102 -16.056
276 HB3 LYS 34 HB1 LYS 34 15.016 5.506 -14.481
277 HG2 LYS 34 HG2 LYS 34 16.819 3.806 -14.614
278 HG3 LYS 34 HG1 LYS 34 17.352 4.551 -16.122
279 HD2 LYS 34 HD2 LYS 34 17.190 5.930 -13.443
280 HD3 LYS 34 HD1 LYS 34 18.664 5.330 -14.200
281 HE2 LYS 34 HE2 LYS 34 18.355 6.872 -16.056
282 HE3 LYS 34 HE1 LYS 34 16.848 7.446 -15.346
283 HZ1 LYS 34 HZ1 LYS 34 19.530 7.688 -14.104
284 HZ2 LYS 34 HZ2 LYS 34 18.084 8.269 -13.454
285 HZ3 LYS 34 HZ3 LYS 34 18.699 8.936 -14.882
286 H ARG 35 HN ARG 35 13.248 4.428 -18.254
287 HA ARG 35 HA ARG 35 15.563 4.012 -19.980
288 HB2 ARG 35 HB2 ARG 35 14.306 2.453 -21.423
289 HB3 ARG 35 HB1 ARG 35 14.574 1.795 -19.817
290 HG2 ARG 35 HG2 ARG 35 12.311 2.217 -19.189
291 HG3 ARG 35 HG1 ARG 35 12.014 3.125 -20.673
292 HD2 ARG 35 HD2 ARG 35 12.710 0.194 -20.526
293 HD3 ARG 35 HD1 ARG 35 11.089 0.846 -20.766
294 HE ARG 35 HE ARG 35 12.956 1.810 -22.708
295 HH11 ARG 35 HH11 ARG 35 10.908 -0.905 -21.882
296 HH12 ARG 35 HH12 ARG 35 10.728 -1.428 -23.526
297 HH21 ARG 35 HH21 ARG 35 12.733 1.116 -24.866
298 HH22 ARG 35 HH22 ARG 35 11.764 -0.278 -25.226
299 H GLN 36 HN GLN 36 13.883 6.253 -19.157
300 HA GLN 36 HA GLN 36 12.433 6.926 -21.599
301 HB2 GLN 36 HB2 GLN 36 11.403 7.288 -19.330
302 HB3 GLN 36 HB1 GLN 36 12.637 8.500 -19.022
303 HG2 GLN 36 HG2 GLN 36 10.908 8.749 -21.437
304 HG3 GLN 36 HG1 GLN 36 10.269 9.193 -19.858
305 HE21 GLN 36 HE21 GLN 36 10.857 10.819 -22.234
306 HE22 GLN 36 HE22 GLN 36 11.938 12.055 -21.696
Start of MODEL 9
1 H1 THR 1 HT1 THR 1 -19.825 1.780 -4.555
2 H2 THR 1 HT2 THR 1 -18.397 1.116 -3.944
3 H3 THR 1 HT3 THR 1 -18.801 2.718 -3.593
4 HA THR 1 HA THR 1 -19.200 1.243 -1.720
5 HB THR 1 HB THR 1 -20.529 3.248 -1.832
6 HG1 THR 1 HG1 THR 1 -22.699 1.764 -1.271
7 HG21 THR 1 HG21 THR 1 -21.382 3.063 -4.104
8 HG22 THR 1 HG22 THR 1 -22.710 3.314 -2.971
9 HG23 THR 1 HG23 THR 1 -22.404 1.706 -3.629
10 H TRP 2 HN TRP 2 -19.852 -0.684 -0.986
11 HA TRP 2 HA TRP 2 -21.942 -2.234 -2.099
12 HB2 TRP 2 HB2 TRP 2 -20.137 -2.534 -3.845
13 HB3 TRP 2 HB1 TRP 2 -19.174 -3.324 -2.604
14 HD1 TRP 2 HD1 TRP 2 -19.934 -5.765 -1.831
15 HE1 TRP 2 HE1 TRP 2 -21.454 -7.526 -2.938
16 HE3 TRP 2 HE3 TRP 2 -22.241 -2.780 -5.269
17 HZ2 TRP 2 HZ2 TRP 2 -23.387 -7.623 -4.995
18 HZ3 TRP 2 HZ3 TRP 2 -23.917 -3.780 -6.769
19 HH2 TRP 2 HH2 TRP 2 -24.475 -6.153 -6.631
20 H SER 3 HN SER 3 -18.802 -2.678 -0.584
21 HA SER 3 HA SER 3 -20.167 -3.747 1.794
22 HB2 SER 3 HB2 SER 3 -17.294 -4.224 0.954
23 HB3 SER 3 HB1 SER 3 -18.136 -4.980 2.307
24 HG SER 3 HG SER 3 -19.500 -6.011 0.821
25 H GLY 4 HN GLY 4 -20.506 -1.439 2.262
26 HA2 GLY 4 HA2 GLY 4 -19.737 0.185 3.867
27 HA3 GLY 4 HA1 GLY 4 -18.089 -0.142 3.335
28 H THR 5 HN THR 5 -20.265 2.186 3.276
29 HA THR 5 HA THR 5 -20.720 2.905 0.636
30 HB THR 5 HB THR 5 -20.872 5.275 1.525
31 HG1 THR 5 HG1 THR 5 -20.643 5.570 3.732
32 HG21 THR 5 HG21 THR 5 -22.406 3.108 2.966
33 HG22 THR 5 HG22 THR 5 -22.823 3.822 1.408
34 HG23 THR 5 HG23 THR 5 -22.879 4.804 2.872
35 H LYS 6 HN LYS 6 -18.293 4.513 2.705
36 HA LYS 6 HA LYS 6 -16.611 4.787 0.307
37 HB2 LYS 6 HB2 LYS 6 -16.504 6.320 2.908
38 HB3 LYS 6 HB1 LYS 6 -15.459 6.592 1.522
39 HG2 LYS 6 HG2 LYS 6 -17.413 7.213 0.182
40 HG3 LYS 6 HG1 LYS 6 -18.444 6.960 1.591
41 HD2 LYS 6 HD2 LYS 6 -16.197 8.965 1.389
42 HD3 LYS 6 HD1 LYS 6 -17.917 9.333 1.260
43 HE2 LYS 6 HE2 LYS 6 -18.233 8.456 3.551
44 HE3 LYS 6 HE1 LYS 6 -16.492 8.210 3.668
45 HZ1 LYS 6 HZ1 LYS 6 -17.160 10.279 4.702
46 HZ2 LYS 6 HZ2 LYS 6 -17.844 10.819 3.252
47 HZ3 LYS 6 HZ3 LYS 6 -16.171 10.583 3.364
48 H LYS 7 HN LYS 7 -16.935 3.118 3.213
49 HA LYS 7 HA LYS 7 -14.257 2.781 4.003
50 HB2 LYS 7 HB2 LYS 7 -16.610 0.919 4.384
51 HB3 LYS 7 HB1 LYS 7 -15.078 0.809 5.241
52 HG2 LYS 7 HG2 LYS 7 -15.464 2.992 6.242
53 HG3 LYS 7 HG1 LYS 7 -16.990 3.131 5.367
54 HD2 LYS 7 HD2 LYS 7 -17.821 1.135 6.537
55 HD3 LYS 7 HD1 LYS 7 -16.302 1.039 7.431
56 HE2 LYS 7 HE2 LYS 7 -18.231 3.357 7.499
57 HE3 LYS 7 HE1 LYS 7 -18.096 2.107 8.734
58 HZ1 LYS 7 HZ1 LYS 7 -15.837 2.808 9.164
59 HZ2 LYS 7 HZ2 LYS 7 -16.890 4.119 9.338
60 HZ3 LYS 7 HZ3 LYS 7 -15.931 3.984 7.953
61 H ARG 8 HN ARG 8 -16.227 1.156 1.605
62 HA ARG 8 HA ARG 8 -14.496 -1.017 1.110
63 HB2 ARG 8 HB2 ARG 8 -16.897 -0.796 0.348
64 HB3 ARG 8 HB1 ARG 8 -16.339 0.325 -0.881
65 HG2 ARG 8 HG2 ARG 8 -15.197 -2.435 -0.705
66 HG3 ARG 8 HG1 ARG 8 -16.734 -2.138 -1.516
67 HD2 ARG 8 HD2 ARG 8 -15.682 -0.615 -3.054
68 HD3 ARG 8 HD1 ARG 8 -14.156 -0.725 -2.180
69 HE ARG 8 HE ARG 8 -14.979 -3.290 -3.045
70 HH11 ARG 8 HH11 ARG 8 -13.655 -0.285 -4.239
71 HH12 ARG 8 HH12 ARG 8 -12.835 -1.025 -5.575
72 HH21 ARG 8 HH21 ARG 8 -13.911 -4.275 -4.806
73 HH22 ARG 8 HH22 ARG 8 -12.990 -3.299 -5.905
74 H ALA 9 HN ALA 9 -14.540 2.313 0.041
75 HA ALA 9 HA ALA 9 -12.463 1.970 -1.912
76 HB1 ALA 9 HB1 ALA 9 -12.441 4.409 -2.020
77 HB2 ALA 9 HB2 ALA 9 -13.487 4.490 -0.602
78 HB3 ALA 9 HB3 ALA 9 -14.091 3.791 -2.104
79 H GLN 10 HN GLN 10 -12.680 2.784 1.483
80 HA GLN 10 HA GLN 10 -9.989 3.692 1.736
81 HB2 GLN 10 HB2 GLN 10 -11.818 2.658 3.905
82 HB3 GLN 10 HB1 GLN 10 -10.368 3.621 4.133
83 HG2 GLN 10 HG2 GLN 10 -12.918 4.510 2.806
84 HG3 GLN 10 HG1 GLN 10 -12.347 4.978 4.403
85 HE21 GLN 10 HE21 GLN 10 -12.308 7.142 3.968
86 HE22 GLN 10 HE22 GLN 10 -11.180 7.875 2.879
87 H ARG 11 HN ARG 11 -11.507 0.561 1.789
88 HA ARG 11 HA ARG 11 -9.275 -0.755 3.025
89 HB2 ARG 11 HB2 ARG 11 -10.393 -2.791 2.656
90 HB3 ARG 11 HB1 ARG 11 -11.673 -1.629 2.967
91 HG2 ARG 11 HG2 ARG 11 -12.252 -1.524 0.667
92 HG3 ARG 11 HG1 ARG 11 -10.817 -2.444 0.205
93 HD2 ARG 11 HD2 ARG 11 -13.136 -3.457 1.842
94 HD3 ARG 11 HD1 ARG 11 -12.796 -3.856 0.158
95 HE ARG 11 HE ARG 11 -10.522 -4.567 1.473
96 HH11 ARG 11 HH11 ARG 11 -13.904 -5.372 1.842
97 HH12 ARG 11 HH12 ARG 11 -13.587 -6.944 2.505
98 HH21 ARG 11 HH21 ARG 11 -10.095 -6.625 2.340
99 HH22 ARG 11 HH22 ARG 11 -11.415 -7.650 2.804
100 H ILE 12 HN ILE 12 -10.047 0.334 -0.139
101 HA ILE 12 HA ILE 12 -8.286 -1.357 -1.596
102 HB ILE 12 HB ILE 12 -9.182 1.457 -2.269
103 HG12 ILE 12 HG12 ILE 12 -11.099 -0.023 -1.988
104 HG13 ILE 12 HG11 ILE 12 -10.875 0.355 -3.692
105 HG21 ILE 12 HG21 ILE 12 -8.028 -0.699 -4.033
106 HG22 ILE 12 HG22 ILE 12 -7.223 0.792 -3.544
107 HG23 ILE 12 HG23 ILE 12 -8.646 0.858 -4.584
108 HD11 ILE 12 HD11 ILE 12 -10.099 -2.197 -2.306
109 HD12 ILE 12 HD12 ILE 12 -9.776 -1.824 -3.999
110 HD13 ILE 12 HD13 ILE 12 -11.440 -1.967 -3.427
111 H LEU 13 HN LEU 13 -7.939 1.552 0.277
112 HA LEU 13 HA LEU 13 -5.411 2.384 -0.517
113 HB2 LEU 13 HB2 LEU 13 -6.679 2.543 2.213
114 HB3 LEU 13 HB1 LEU 13 -5.248 3.428 1.722
115 HG LEU 13 HG LEU 13 -8.019 3.768 0.570
116 HD11 LEU 13 HD11 LEU 13 -7.945 5.952 1.655
117 HD12 LEU 13 HD12 LEU 13 -6.368 5.564 2.342
118 HD13 LEU 13 HD13 LEU 13 -7.793 4.650 2.835
119 HD21 LEU 13 HD21 LEU 13 -6.341 4.160 -1.128
120 HD22 LEU 13 HD22 LEU 13 -5.435 5.204 -0.033
121 HD23 LEU 13 HD23 LEU 13 -7.028 5.696 -0.606
122 H ILE 14 HN ILE 14 -6.408 -0.241 1.557
123 HA ILE 14 HA ILE 14 -3.988 -0.763 2.864
124 HB ILE 14 HB ILE 14 -6.042 -2.785 1.955
125 HG12 ILE 14 HG12 ILE 14 -7.061 -0.959 3.242
126 HG13 ILE 14 HG11 ILE 14 -7.063 -2.458 4.151
127 HG21 ILE 14 HG21 ILE 14 -5.229 -4.099 3.867
128 HG22 ILE 14 HG22 ILE 14 -3.982 -2.886 4.157
129 HG23 ILE 14 HG23 ILE 14 -3.972 -3.822 2.662
130 HD11 ILE 14 HD11 ILE 14 -5.116 -1.675 5.418
131 HD12 ILE 14 HD12 ILE 14 -6.508 -0.603 5.582
132 HD13 ILE 14 HD13 ILE 14 -5.171 -0.155 4.524
133 H PHE 15 HN PHE 15 -5.296 -2.002 -0.179
134 HA PHE 15 HA PHE 15 -3.125 -3.677 -0.831
135 HB2 PHE 15 HB2 PHE 15 -4.984 -2.314 -2.784
136 HB3 PHE 15 HB1 PHE 15 -4.118 -3.827 -3.010
137 HD1 PHE 15 HD2 PHE 15 -4.651 -5.259 -0.534
138 HD2 PHE 15 HD1 PHE 15 -7.233 -2.818 -2.872
139 HE1 PHE 15 HE2 PHE 15 -6.595 -6.473 0.351
140 HE2 PHE 15 HE1 PHE 15 -9.182 -4.028 -1.986
141 HZ PHE 15 HZ PHE 15 -8.865 -5.862 -0.376
142 H LEU 16 HN LEU 16 -3.956 -0.378 -1.729
143 HA LEU 16 HA LEU 16 -1.746 0.164 -3.367
144 HB2 LEU 16 HB2 LEU 16 -3.117 2.150 -1.558
145 HB3 LEU 16 HB1 LEU 16 -2.248 2.489 -3.042
146 HG LEU 16 HG LEU 16 -4.884 1.044 -2.809
147 HD11 LEU 16 HD11 LEU 16 -4.192 3.739 -3.967
148 HD12 LEU 16 HD12 LEU 16 -5.027 3.452 -2.442
149 HD13 LEU 16 HD13 LEU 16 -5.788 2.987 -3.962
150 HD21 LEU 16 HD21 LEU 16 -3.251 1.731 -5.250
151 HD22 LEU 16 HD22 LEU 16 -4.896 1.095 -5.265
152 HD23 LEU 16 HD23 LEU 16 -3.577 0.112 -4.628
153 H LEU 17 HN LEU 17 -2.230 0.556 0.111
154 HA LEU 17 HA LEU 17 0.216 1.782 0.720
155 HB2 LEU 17 HB2 LEU 17 -1.946 1.323 2.147
156 HB3 LEU 17 HB1 LEU 17 -1.084 -0.122 2.628
157 HG LEU 17 HG LEU 17 0.055 2.652 2.968
158 HD11 LEU 17 HD11 LEU 17 -0.620 2.452 5.324
159 HD12 LEU 17 HD12 LEU 17 -1.505 0.979 4.928
160 HD13 LEU 17 HD13 LEU 17 -2.002 2.520 4.230
161 HD21 LEU 17 HD21 LEU 17 1.689 0.826 2.989
162 HD22 LEU 17 HD22 LEU 17 0.762 0.014 4.250
163 HD23 LEU 17 HD23 LEU 17 1.525 1.568 4.580
164 H GLU 18 HN GLU 18 -0.688 -1.652 0.561
165 HA GLU 18 HA GLU 18 1.773 -2.683 1.454
166 HB2 GLU 18 HB2 GLU 18 -0.259 -3.923 -0.403
167 HB3 GLU 18 HB1 GLU 18 1.080 -4.790 0.339
168 HG2 GLU 18 HG2 GLU 18 0.155 -4.187 2.564
169 HG3 GLU 18 HG1 GLU 18 -1.241 -3.491 1.744
170 H PHE 19 HN PHE 19 0.796 -1.374 -1.584
171 HA PHE 19 HA PHE 19 3.184 -2.257 -2.964
172 HB2 PHE 19 HB2 PHE 19 1.180 -1.932 -4.286
173 HB3 PHE 19 HB1 PHE 19 1.034 -0.270 -3.725
174 HD1 PHE 19 HD1 PHE 19 3.386 -2.522 -5.523
175 HD2 PHE 19 HD2 PHE 19 1.924 1.438 -4.990
176 HE1 PHE 19 HE1 PHE 19 4.781 -1.758 -7.397
177 HE2 PHE 19 HE2 PHE 19 3.314 2.207 -6.867
178 HZ PHE 19 HZ PHE 19 4.746 0.605 -8.066
179 H LEU 20 HN LEU 20 1.889 0.733 -1.615
180 HA LEU 20 HA LEU 20 3.969 2.445 -2.336
181 HB2 LEU 20 HB2 LEU 20 2.132 2.580 0.050
182 HB3 LEU 20 HB1 LEU 20 3.137 3.900 -0.515
183 HG LEU 20 HG LEU 20 0.935 2.623 -2.137
184 HD11 LEU 20 HD11 LEU 20 0.960 5.197 -0.574
185 HD12 LEU 20 HD12 LEU 20 0.008 3.759 -0.211
186 HD13 LEU 20 HD13 LEU 20 -0.314 4.682 -1.678
187 HD21 LEU 20 HD21 LEU 20 1.215 4.586 -3.579
188 HD22 LEU 20 HD22 LEU 20 2.681 3.611 -3.508
189 HD23 LEU 20 HD23 LEU 20 2.575 5.113 -2.590
190 H LEU 21 HN LEU 21 3.610 0.410 0.557
191 HA LEU 21 HA LEU 21 5.868 1.469 1.882
192 HB2 LEU 21 HB2 LEU 21 5.767 -0.507 3.323
193 HB3 LEU 21 HB1 LEU 21 4.209 0.266 3.140
194 HG LEU 21 HG LEU 21 3.849 -1.557 1.293
195 HD11 LEU 21 HD11 LEU 21 4.927 -3.679 1.823
196 HD12 LEU 21 HD12 LEU 21 5.899 -2.886 3.062
197 HD13 LEU 21 HD13 LEU 21 6.117 -2.463 1.364
198 HD21 LEU 21 HD21 LEU 21 2.920 -3.059 3.033
199 HD22 LEU 21 HD22 LEU 21 2.472 -1.368 3.249
200 HD23 LEU 21 HD23 LEU 21 3.730 -2.082 4.255
201 H ASP 22 HN ASP 22 5.491 -0.987 -0.556
202 HA ASP 22 HA ASP 22 8.205 -1.926 -0.309
203 HB2 ASP 22 HB2 ASP 22 6.510 -3.488 -1.099
204 HB3 ASP 22 HB1 ASP 22 6.125 -2.425 -2.449
205 H PHE 23 HN PHE 23 6.379 0.268 -2.318
206 HA PHE 23 HA PHE 23 8.385 0.891 -4.192
207 HB2 PHE 23 HB2 PHE 23 5.919 1.483 -4.310
208 HB3 PHE 23 HB1 PHE 23 6.253 2.774 -3.164
209 HD1 PHE 23 HD2 PHE 23 7.578 4.714 -3.832
210 HD2 PHE 23 HD1 PHE 23 6.594 1.636 -6.598
211 HE1 PHE 23 HE2 PHE 23 8.177 6.202 -5.695
212 HE2 PHE 23 HE1 PHE 23 7.190 3.120 -8.467
213 HZ PHE 23 HZ PHE 23 7.983 5.407 -8.017
214 H CYS 24 HN CYS 24 7.458 2.401 -1.117
215 HA CYS 24 HA CYS 24 9.485 4.372 -1.123
216 HB2 CYS 24 HB2 CYS 24 7.470 4.524 0.283
217 HB3 CYS 24 HB1 CYS 24 8.014 3.136 1.217
218 HG CYS 24 HG CYS 24 10.520 4.980 1.533
219 H THR 25 HN THR 25 9.262 1.378 0.826
220 HA THR 25 HA THR 25 12.203 1.324 0.819
221 HB THR 25 HB THR 25 11.896 -0.125 2.928
222 HG1 THR 25 HG1 THR 25 9.685 1.172 3.736
223 HG21 THR 25 HG21 THR 25 12.841 2.127 2.970
224 HG22 THR 25 HG22 THR 25 11.805 1.856 4.371
225 HG23 THR 25 HG23 THR 25 11.218 2.818 3.014
226 H GLY 26 HN GLY 26 9.785 -1.128 1.698
227 HA2 GLY 26 HA2 GLY 26 9.867 -2.713 -0.557
228 HA3 GLY 26 HA1 GLY 26 11.284 -3.166 0.376
229 H GLU 27 HN GLU 27 8.807 -4.670 -0.298
230 HA GLU 27 HA GLU 27 7.733 -5.192 2.364
231 HB2 GLU 27 HB2 GLU 27 6.338 -6.893 1.219
232 HB3 GLU 27 HB1 GLU 27 6.155 -5.288 0.526
233 HG2 GLU 27 HG2 GLU 27 7.444 -5.855 -1.368
234 HG3 GLU 27 HG1 GLU 27 8.000 -7.355 -0.630
235 H ASP 28 HN ASP 28 10.086 -6.401 0.156
236 HA ASP 28 HA ASP 28 10.417 -8.929 1.532
237 HB2 ASP 28 HB2 ASP 28 12.159 -9.375 -0.115
238 HB3 ASP 28 HB1 ASP 28 10.709 -8.794 -0.924
239 H SER 29 HN SER 29 11.761 -5.751 1.547
240 HA SER 29 HA SER 29 13.327 -6.361 3.872
241 HB2 SER 29 HB2 SER 29 15.423 -5.345 2.809
242 HB3 SER 29 HB1 SER 29 15.023 -6.998 2.347
243 HG SER 29 HG SER 29 14.273 -6.285 0.397
244 H VAL 30 HN VAL 30 14.007 -4.480 4.985
245 HA VAL 30 HA VAL 30 12.912 -1.961 3.937
246 HB VAL 30 HB VAL 30 12.687 -2.765 6.843
247 HG11 VAL 30 HG11 VAL 30 12.756 -0.367 6.439
248 HG12 VAL 30 HG12 VAL 30 11.147 -0.860 6.968
249 HG13 VAL 30 HG13 VAL 30 11.446 -0.511 5.266
250 HG21 VAL 30 HG21 VAL 30 11.268 -4.248 5.542
251 HG22 VAL 30 HG22 VAL 30 10.555 -2.866 4.709
252 HG23 VAL 30 HG23 VAL 30 10.284 -3.090 6.438
253 H ASP 31 HN ASP 31 15.164 -1.722 3.339
254 HA ASP 31 HA ASP 31 16.829 -0.816 5.596
255 HB2 ASP 31 HB2 ASP 31 17.489 -3.035 4.369
256 HB3 ASP 31 HB1 ASP 31 18.028 -1.960 3.084
257 H GLY 32 HN GLY 32 18.853 0.400 4.308
258 HA2 GLY 32 HA2 GLY 32 17.455 2.489 2.755
259 HA3 GLY 32 HA1 GLY 32 18.811 2.798 3.830
260 H LYS 33 HN LYS 33 18.823 -0.009 1.832
261 HA LYS 33 HA LYS 33 21.249 0.664 0.558
262 HB2 LYS 33 HB2 LYS 33 19.179 -1.384 -0.268
263 HB3 LYS 33 HB1 LYS 33 20.834 -1.312 -0.845
264 HG2 LYS 33 HG2 LYS 33 20.005 -1.806 2.006
265 HG3 LYS 33 HG1 LYS 33 20.518 -3.040 0.855
266 HD2 LYS 33 HD2 LYS 33 22.703 -1.907 0.666
267 HD3 LYS 33 HD1 LYS 33 22.180 -0.740 1.879
268 HE2 LYS 33 HE2 LYS 33 23.540 -2.435 2.924
269 HE3 LYS 33 HE1 LYS 33 21.876 -2.587 3.482
270 HZ1 LYS 33 HZ1 LYS 33 23.112 -4.246 1.350
271 HZ2 LYS 33 HZ2 LYS 33 21.548 -4.419 1.968
272 HZ3 LYS 33 HZ3 LYS 33 22.885 -4.736 2.951
273 H LYS 34 HN LYS 34 17.877 0.816 -0.436
274 HA LYS 34 HA LYS 34 18.527 1.922 -3.003
275 HB2 LYS 34 HB2 LYS 34 16.040 2.265 -3.175
276 HB3 LYS 34 HB1 LYS 34 16.558 0.604 -2.933
277 HG2 LYS 34 HG2 LYS 34 16.078 0.958 -0.474
278 HG3 LYS 34 HG1 LYS 34 15.287 2.461 -0.948
279 HD2 LYS 34 HD2 LYS 34 14.578 -0.258 -2.030
280 HD3 LYS 34 HD1 LYS 34 13.733 0.539 -0.704
281 HE2 LYS 34 HE2 LYS 34 13.145 2.388 -2.189
282 HE3 LYS 34 HE1 LYS 34 14.000 1.600 -3.515
283 HZ1 LYS 34 HZ1 LYS 34 12.452 -0.190 -3.480
284 HZ2 LYS 34 HZ2 LYS 34 11.561 1.250 -3.521
285 HZ3 LYS 34 HZ3 LYS 34 11.711 0.386 -2.074
286 H ARG 35 HN ARG 35 16.689 3.252 -0.227
287 HA ARG 35 HA ARG 35 18.168 5.588 0.036
288 HB2 ARG 35 HB2 ARG 35 17.272 6.068 -2.253
289 HB3 ARG 35 HB1 ARG 35 15.648 6.036 -1.579
290 HG2 ARG 35 HG2 ARG 35 16.394 8.316 -1.812
291 HG3 ARG 35 HG1 ARG 35 16.248 7.910 -0.101
292 HD2 ARG 35 HD2 ARG 35 18.678 7.489 -0.026
293 HD3 ARG 35 HD1 ARG 35 18.795 7.987 -1.712
294 HE ARG 35 HE ARG 35 17.612 9.920 0.096
295 HH11 ARG 35 HH11 ARG 35 20.493 8.789 -1.523
296 HH12 ARG 35 HH12 ARG 35 21.345 10.289 -1.339
297 HH21 ARG 35 HH21 ARG 35 18.728 11.899 0.353
298 HH22 ARG 35 HH22 ARG 35 20.341 12.056 -0.269
299 H GLN 36 HN GLN 36 17.692 6.366 1.990
300 HA GLN 36 HA GLN 36 14.887 6.523 2.802
301 HB2 GLN 36 HB2 GLN 36 17.116 5.434 4.526
302 HB3 GLN 36 HB1 GLN 36 15.588 6.004 5.177
303 HG2 GLN 36 HG2 GLN 36 14.509 4.305 3.591
304 HG3 GLN 36 HG1 GLN 36 16.125 3.615 3.466
305 HE21 GLN 36 HE21 GLN 36 17.079 2.702 5.319
306 HE22 GLN 36 HE22 GLN 36 16.126 2.218 6.677
Start of MODEL 10
1 H1 THR 1 HT1 THR 1 -29.502 3.038 5.767
2 H2 THR 1 HT2 THR 1 -30.623 4.148 6.369
3 H3 THR 1 HT3 THR 1 -29.616 3.310 7.432
4 HA THR 1 HA THR 1 -28.736 5.273 5.413
5 HB THR 1 HB THR 1 -28.031 6.491 7.602
6 HG1 THR 1 HG1 THR 1 -29.353 6.008 9.372
7 HG21 THR 1 HG21 THR 1 -30.932 6.339 6.771
8 HG22 THR 1 HG22 THR 1 -29.695 7.355 6.032
9 HG23 THR 1 HG23 THR 1 -30.196 7.645 7.697
10 H TRP 2 HN TRP 2 -27.055 4.047 4.610
11 HA TRP 2 HA TRP 2 -24.835 3.683 6.489
12 HB2 TRP 2 HB2 TRP 2 -25.789 1.695 4.430
13 HB3 TRP 2 HB1 TRP 2 -24.162 1.653 5.105
14 HD1 TRP 2 HD1 TRP 2 -27.796 0.960 6.014
15 HE1 TRP 2 HE1 TRP 2 -27.868 -0.329 8.242
16 HE3 TRP 2 HE3 TRP 2 -22.864 1.309 7.310
17 HZ2 TRP 2 HZ2 TRP 2 -26.070 -1.090 10.279
18 HZ3 TRP 2 HZ3 TRP 2 -22.123 0.278 9.418
19 HH2 TRP 2 HH2 TRP 2 -23.695 -0.897 10.871
20 H SER 3 HN SER 3 -23.476 5.220 5.889
21 HA SER 3 HA SER 3 -23.256 6.080 3.153
22 HB2 SER 3 HB2 SER 3 -21.640 6.877 5.586
23 HB3 SER 3 HB1 SER 3 -21.664 7.717 4.035
24 HG SER 3 HG SER 3 -23.229 8.178 6.056
25 H GLY 4 HN GLY 4 -22.657 3.787 2.551
26 HA2 GLY 4 HA2 GLY 4 -19.939 2.980 3.142
27 HA3 GLY 4 HA1 GLY 4 -21.087 2.123 2.127
28 H THR 5 HN THR 5 -19.665 5.374 2.037
29 HA THR 5 HA THR 5 -19.397 5.263 -0.820
30 HB THR 5 HB THR 5 -18.199 7.516 -0.368
31 HG1 THR 5 HG1 THR 5 -18.619 8.365 1.693
32 HG21 THR 5 HG21 THR 5 -20.490 7.333 -1.217
33 HG22 THR 5 HG22 THR 5 -20.345 8.658 -0.063
34 HG23 THR 5 HG23 THR 5 -21.088 7.137 0.431
35 H LYS 6 HN LYS 6 -17.120 5.544 1.910
36 HA LYS 6 HA LYS 6 -14.987 4.601 0.114
37 HB2 LYS 6 HB2 LYS 6 -14.750 6.160 2.693
38 HB3 LYS 6 HB1 LYS 6 -13.411 5.661 1.670
39 HG2 LYS 6 HG2 LYS 6 -14.258 7.071 -0.131
40 HG3 LYS 6 HG1 LYS 6 -15.607 7.566 0.895
41 HD2 LYS 6 HD2 LYS 6 -14.051 8.548 2.491
42 HD3 LYS 6 HD1 LYS 6 -12.687 8.012 1.510
43 HE2 LYS 6 HE2 LYS 6 -13.429 9.432 -0.323
44 HE3 LYS 6 HE1 LYS 6 -14.826 9.943 0.623
45 HZ1 LYS 6 HZ1 LYS 6 -13.376 10.989 2.201
46 HZ2 LYS 6 HZ2 LYS 6 -12.995 11.558 0.657
47 HZ3 LYS 6 HZ3 LYS 6 -12.001 10.413 1.405
48 H LYS 7 HN LYS 7 -17.050 3.264 2.125
49 HA LYS 7 HA LYS 7 -15.466 2.096 4.150
50 HB2 LYS 7 HB2 LYS 7 -18.115 1.225 3.001
51 HB3 LYS 7 HB1 LYS 7 -17.378 0.518 4.433
52 HG2 LYS 7 HG2 LYS 7 -18.254 3.380 4.099
53 HG3 LYS 7 HG1 LYS 7 -19.058 2.141 5.061
54 HD2 LYS 7 HD2 LYS 7 -16.291 3.253 5.540
55 HD3 LYS 7 HD1 LYS 7 -17.738 3.634 6.471
56 HE2 LYS 7 HE2 LYS 7 -17.911 1.253 7.104
57 HE3 LYS 7 HE1 LYS 7 -16.408 0.937 6.241
58 HZ1 LYS 7 HZ1 LYS 7 -16.692 2.793 8.536
59 HZ2 LYS 7 HZ2 LYS 7 -15.251 2.410 7.735
60 HZ3 LYS 7 HZ3 LYS 7 -16.067 1.226 8.625
61 H ARG 8 HN ARG 8 -16.059 1.171 0.841
62 HA ARG 8 HA ARG 8 -14.464 -1.257 1.295
63 HB2 ARG 8 HB2 ARG 8 -16.434 -0.471 -0.812
64 HB3 ARG 8 HB1 ARG 8 -15.144 -1.579 -1.246
65 HG2 ARG 8 HG2 ARG 8 -17.111 -2.821 -0.652
66 HG3 ARG 8 HG1 ARG 8 -15.861 -3.090 0.560
67 HD2 ARG 8 HD2 ARG 8 -18.012 -2.792 1.627
68 HD3 ARG 8 HD1 ARG 8 -16.950 -1.442 2.021
69 HE ARG 8 HE ARG 8 -18.291 -0.471 -0.076
70 HH11 ARG 8 HH11 ARG 8 -19.450 -2.198 2.738
71 HH12 ARG 8 HH12 ARG 8 -20.962 -1.353 2.794
72 HH21 ARG 8 HH21 ARG 8 -20.287 0.635 -0.017
73 HH22 ARG 8 HH22 ARG 8 -21.446 0.246 1.214
74 H ALA 9 HN ALA 9 -14.416 1.893 -0.064
75 HA ALA 9 HA ALA 9 -12.224 1.520 -1.837
76 HB1 ALA 9 HB1 ALA 9 -13.117 4.067 -0.492
77 HB2 ALA 9 HB2 ALA 9 -13.793 3.424 -1.990
78 HB3 ALA 9 HB3 ALA 9 -12.103 3.929 -1.930
79 H GLN 10 HN GLN 10 -12.528 2.210 1.584
80 HA GLN 10 HA GLN 10 -9.915 3.100 2.055
81 HB2 GLN 10 HB2 GLN 10 -10.320 2.422 4.423
82 HB3 GLN 10 HB1 GLN 10 -11.549 3.470 3.743
83 HG2 GLN 10 HG2 GLN 10 -12.777 1.924 4.936
84 HG3 GLN 10 HG1 GLN 10 -12.850 1.297 3.292
85 HE21 GLN 10 HE21 GLN 10 -13.297 -0.777 4.024
86 HE22 GLN 10 HE22 GLN 10 -12.079 -1.774 4.750
87 H ARG 11 HN ARG 11 -11.186 -0.101 1.614
88 HA ARG 11 HA ARG 11 -8.917 -1.455 2.684
89 HB2 ARG 11 HB2 ARG 11 -9.918 -3.436 2.013
90 HB3 ARG 11 HB1 ARG 11 -11.313 -2.381 2.196
91 HG2 ARG 11 HG2 ARG 11 -11.400 -2.027 -0.193
92 HG3 ARG 11 HG1 ARG 11 -9.944 -3.001 -0.413
93 HD2 ARG 11 HD2 ARG 11 -11.137 -4.932 0.550
94 HD3 ARG 11 HD1 ARG 11 -12.596 -3.949 0.658
95 HE ARG 11 HE ARG 11 -11.977 -3.734 -1.939
96 HH11 ARG 11 HH11 ARG 11 -12.255 -6.509 0.183
97 HH12 ARG 11 HH12 ARG 11 -12.685 -7.601 -1.097
98 HH21 ARG 11 HH21 ARG 11 -12.556 -5.159 -3.617
99 HH22 ARG 11 HH22 ARG 11 -12.859 -6.830 -3.260
100 H ILE 12 HN ILE 12 -9.818 -0.172 -0.442
101 HA ILE 12 HA ILE 12 -7.660 -1.301 -1.918
102 HB ILE 12 HB ILE 12 -9.212 1.233 -2.508
103 HG12 ILE 12 HG12 ILE 12 -9.705 -1.601 -3.458
104 HG13 ILE 12 HG11 ILE 12 -10.672 -0.753 -2.257
105 HG21 ILE 12 HG21 ILE 12 -7.127 1.065 -3.767
106 HG22 ILE 12 HG22 ILE 12 -8.520 0.854 -4.828
107 HG23 ILE 12 HG23 ILE 12 -7.578 -0.548 -4.318
108 HD11 ILE 12 HD11 ILE 12 -10.348 0.050 -5.139
109 HD12 ILE 12 HD12 ILE 12 -11.333 0.882 -3.935
110 HD13 ILE 12 HD13 ILE 12 -11.749 -0.758 -4.435
111 H LEU 13 HN LEU 13 -8.149 1.636 -0.064
112 HA LEU 13 HA LEU 13 -5.757 2.934 -0.682
113 HB2 LEU 13 HB2 LEU 13 -7.244 2.986 1.947
114 HB3 LEU 13 HB1 LEU 13 -6.073 4.169 1.401
115 HG LEU 13 HG LEU 13 -8.782 3.660 0.165
116 HD11 LEU 13 HD11 LEU 13 -8.875 4.797 2.332
117 HD12 LEU 13 HD12 LEU 13 -9.340 5.867 1.012
118 HD13 LEU 13 HD13 LEU 13 -7.741 6.008 1.740
119 HD21 LEU 13 HD21 LEU 13 -7.177 4.313 -1.530
120 HD22 LEU 13 HD22 LEU 13 -6.652 5.674 -0.539
121 HD23 LEU 13 HD23 LEU 13 -8.288 5.642 -1.197
122 H ILE 14 HN ILE 14 -6.528 0.427 1.681
123 HA ILE 14 HA ILE 14 -3.991 0.327 2.913
124 HB ILE 14 HB ILE 14 -5.989 -1.910 2.547
125 HG12 ILE 14 HG12 ILE 14 -6.942 0.092 3.628
126 HG13 ILE 14 HG11 ILE 14 -6.823 -1.255 4.742
127 HG21 ILE 14 HG21 ILE 14 -3.727 -1.589 4.522
128 HG22 ILE 14 HG22 ILE 14 -3.798 -2.745 3.191
129 HG23 ILE 14 HG23 ILE 14 -4.926 -2.881 4.539
130 HD11 ILE 14 HD11 ILE 14 -4.973 1.109 4.595
131 HD12 ILE 14 HD12 ILE 14 -4.776 -0.265 5.683
132 HD13 ILE 14 HD13 ILE 14 -6.180 0.790 5.842
133 H PHE 15 HN PHE 15 -5.344 -1.269 0.070
134 HA PHE 15 HA PHE 15 -3.179 -2.998 -0.433
135 HB2 PHE 15 HB2 PHE 15 -5.089 -1.773 -2.436
136 HB3 PHE 15 HB1 PHE 15 -4.072 -3.180 -2.710
137 HD1 PHE 15 HD2 PHE 15 -4.692 -4.122 0.304
138 HD2 PHE 15 HD1 PHE 15 -7.028 -3.123 -3.112
139 HE1 PHE 15 HE2 PHE 15 -6.507 -5.554 1.131
140 HE2 PHE 15 HE1 PHE 15 -8.848 -4.559 -2.289
141 HZ PHE 15 HZ PHE 15 -8.589 -5.779 -0.166
142 H LEU 16 HN LEU 16 -3.899 0.276 -1.587
143 HA LEU 16 HA LEU 16 -1.519 0.531 -3.112
144 HB2 LEU 16 HB2 LEU 16 -2.241 2.643 -3.622
145 HB3 LEU 16 HB1 LEU 16 -3.754 1.895 -3.161
146 HG LEU 16 HG LEU 16 -3.283 2.936 -0.826
147 HD11 LEU 16 HD11 LEU 16 -0.964 3.597 -1.448
148 HD12 LEU 16 HD12 LEU 16 -1.957 4.921 -0.829
149 HD13 LEU 16 HD13 LEU 16 -1.654 4.778 -2.562
150 HD21 LEU 16 HD21 LEU 16 -4.477 4.921 -1.482
151 HD22 LEU 16 HD22 LEU 16 -5.089 3.555 -2.417
152 HD23 LEU 16 HD23 LEU 16 -3.984 4.711 -3.161
153 H LEU 17 HN LEU 17 -2.354 1.093 0.223
154 HA LEU 17 HA LEU 17 -0.055 2.470 1.063
155 HB2 LEU 17 HB2 LEU 17 -2.243 1.995 2.319
156 HB3 LEU 17 HB1 LEU 17 -1.557 0.430 2.698
157 HG LEU 17 HG LEU 17 -0.223 3.023 3.473
158 HD11 LEU 17 HD11 LEU 17 -2.097 1.309 5.101
159 HD12 LEU 17 HD12 LEU 17 -2.444 2.925 4.485
160 HD13 LEU 17 HD13 LEU 17 -1.180 2.695 5.694
161 HD21 LEU 17 HD21 LEU 17 1.185 1.002 3.411
162 HD22 LEU 17 HD22 LEU 17 0.077 0.218 4.541
163 HD23 LEU 17 HD23 LEU 17 0.987 1.644 5.041
164 H GLU 18 HN GLU 18 -0.793 -1.003 0.951
165 HA GLU 18 HA GLU 18 1.715 -1.921 1.832
166 HB2 GLU 18 HB2 GLU 18 -0.230 -3.287 -0.034
167 HB3 GLU 18 HB1 GLU 18 1.073 -4.071 0.849
168 HG2 GLU 18 HG2 GLU 18 -0.007 -3.417 2.962
169 HG3 GLU 18 HG1 GLU 18 -1.340 -2.728 2.035
170 H PHE 19 HN PHE 19 0.482 -1.110 -1.357
171 HA PHE 19 HA PHE 19 2.641 -1.964 -2.914
172 HB2 PHE 19 HB2 PHE 19 0.485 -1.163 -3.832
173 HB3 PHE 19 HB1 PHE 19 0.889 0.473 -3.330
174 HD1 PHE 19 HD2 PHE 19 2.667 1.717 -4.464
175 HD2 PHE 19 HD1 PHE 19 1.454 -2.143 -5.786
176 HE1 PHE 19 HE2 PHE 19 3.796 2.101 -6.611
177 HE2 PHE 19 HE1 PHE 19 2.583 -1.762 -7.936
178 HZ PHE 19 HZ PHE 19 3.754 0.361 -8.351
179 H LEU 20 HN LEU 20 2.078 1.068 -1.177
180 HA LEU 20 HA LEU 20 4.435 2.365 -2.022
181 HB2 LEU 20 HB2 LEU 20 2.824 2.781 0.489
182 HB3 LEU 20 HB1 LEU 20 4.025 3.889 -0.143
183 HG LEU 20 HG LEU 20 1.463 3.133 -1.547
184 HD11 LEU 20 HD11 LEU 20 0.751 5.408 -0.996
185 HD12 LEU 20 HD12 LEU 20 2.223 5.637 -0.056
186 HD13 LEU 20 HD13 LEU 20 1.032 4.439 0.451
187 HD21 LEU 20 HD21 LEU 20 2.030 5.013 -3.034
188 HD22 LEU 20 HD22 LEU 20 3.215 3.709 -3.118
189 HD23 LEU 20 HD23 LEU 20 3.582 5.176 -2.209
190 H LEU 21 HN LEU 21 3.862 -0.034 0.431
191 HA LEU 21 HA LEU 21 6.291 0.394 1.879
192 HB2 LEU 21 HB2 LEU 21 4.707 -2.165 1.626
193 HB3 LEU 21 HB1 LEU 21 5.871 -1.773 2.877
194 HG LEU 21 HG LEU 21 3.232 -0.380 2.459
195 HD11 LEU 21 HD11 LEU 21 2.972 -2.677 3.249
196 HD12 LEU 21 HD12 LEU 21 2.537 -1.510 4.499
197 HD13 LEU 21 HD13 LEU 21 4.088 -2.348 4.575
198 HD21 LEU 21 HD21 LEU 21 5.302 -0.102 4.637
199 HD22 LEU 21 HD22 LEU 21 3.710 0.653 4.637
200 HD23 LEU 21 HD23 LEU 21 4.897 1.105 3.417
201 H ASP 22 HN ASP 22 5.263 -1.750 -0.710
202 HA ASP 22 HA ASP 22 7.776 -3.021 -1.091
203 HB2 ASP 22 HB2 ASP 22 5.751 -4.066 -1.909
204 HB3 ASP 22 HB1 ASP 22 5.402 -2.681 -2.937
205 H PHE 23 HN PHE 23 6.209 -0.212 -2.542
206 HA PHE 23 HA PHE 23 8.218 0.316 -4.473
207 HB2 PHE 23 HB2 PHE 23 5.885 1.196 -4.566
208 HB3 PHE 23 HB1 PHE 23 6.268 2.264 -3.222
209 HD1 PHE 23 HD1 PHE 23 7.419 1.407 -6.655
210 HD2 PHE 23 HD2 PHE 23 7.031 4.398 -3.655
211 HE1 PHE 23 HE1 PHE 23 8.226 3.100 -8.244
212 HE2 PHE 23 HE2 PHE 23 7.838 6.098 -5.239
213 HZ PHE 23 HZ PHE 23 8.435 5.450 -7.538
214 H CYS 24 HN CYS 24 7.871 1.076 -1.107
215 HA CYS 24 HA CYS 24 9.722 3.165 -0.871
216 HB2 CYS 24 HB2 CYS 24 8.207 2.547 0.947
217 HB3 CYS 24 HB1 CYS 24 9.021 0.997 1.121
218 HG CYS 24 HG CYS 24 11.306 3.296 1.399
219 H THR 25 HN THR 25 10.137 -0.294 -1.139
220 HA THR 25 HA THR 25 12.985 0.152 -1.496
221 HB THR 25 HB THR 25 13.204 -0.503 0.685
222 HG1 THR 25 HG1 THR 25 14.467 -2.091 0.221
223 HG21 THR 25 HG21 THR 25 11.872 -2.337 1.762
224 HG22 THR 25 HG22 THR 25 10.857 -2.360 0.322
225 HG23 THR 25 HG23 THR 25 10.948 -0.907 1.307
226 H GLY 26 HN GLY 26 11.516 -3.056 -1.188
227 HA2 GLY 26 HA2 GLY 26 10.927 -4.621 -2.752
228 HA3 GLY 26 HA1 GLY 26 10.700 -3.296 -3.885
229 H GLU 27 HN GLU 27 13.726 -3.836 -2.269
230 HA GLU 27 HA GLU 27 14.960 -4.533 -4.823
231 HB2 GLU 27 HB2 GLU 27 17.095 -4.147 -3.613
232 HB3 GLU 27 HB1 GLU 27 16.033 -2.749 -3.603
233 HG2 GLU 27 HG2 GLU 27 15.297 -3.411 -1.319
234 HG3 GLU 27 HG1 GLU 27 16.533 -4.668 -1.349
235 H ASP 28 HN ASP 28 13.760 -5.905 -2.041
236 HA ASP 28 HA ASP 28 14.840 -8.513 -2.818
237 HB2 ASP 28 HB2 ASP 28 16.107 -7.782 -0.831
238 HB3 ASP 28 HB1 ASP 28 14.598 -7.521 0.035
239 H SER 29 HN SER 29 12.622 -7.010 -0.495
240 HA SER 29 HA SER 29 10.186 -7.478 -1.553
241 HB2 SER 29 HB2 SER 29 10.953 -9.950 -1.534
242 HB3 SER 29 HB1 SER 29 10.757 -9.859 0.213
243 HG SER 29 HG SER 29 8.886 -10.630 -1.000
244 H VAL 30 HN VAL 30 8.604 -8.213 0.518
245 HA VAL 30 HA VAL 30 9.543 -6.604 2.805
246 HB VAL 30 HB VAL 30 6.657 -6.833 1.918
247 HG11 VAL 30 HG11 VAL 30 8.007 -5.021 3.918
248 HG12 VAL 30 HG12 VAL 30 6.933 -6.372 4.288
249 HG13 VAL 30 HG13 VAL 30 6.307 -4.947 3.456
250 HG21 VAL 30 HG21 VAL 30 8.593 -4.569 1.443
251 HG22 VAL 30 HG22 VAL 30 6.861 -4.518 1.116
252 HG23 VAL 30 HG23 VAL 30 7.898 -5.624 0.213
253 H ASP 31 HN ASP 31 10.348 -8.787 3.370
254 HA ASP 31 HA ASP 31 10.301 -10.723 4.550
255 HB2 ASP 31 HB2 ASP 31 9.227 -9.290 6.273
256 HB3 ASP 31 HB1 ASP 31 7.652 -9.705 5.607
257 H GLY 32 HN GLY 32 10.084 -11.761 2.467
258 HA2 GLY 32 HA2 GLY 32 9.160 -13.579 1.331
259 HA3 GLY 32 HA1 GLY 32 7.718 -13.440 2.330
260 H LYS 33 HN LYS 33 6.470 -11.351 1.939
261 HA LYS 33 HA LYS 33 6.763 -10.155 -0.661
262 HB2 LYS 33 HB2 LYS 33 4.406 -10.619 -1.353
263 HB3 LYS 33 HB1 LYS 33 5.452 -12.027 -1.372
264 HG2 LYS 33 HG2 LYS 33 4.498 -12.653 0.858
265 HG3 LYS 33 HG1 LYS 33 3.334 -11.344 0.652
266 HD2 LYS 33 HD2 LYS 33 3.695 -13.689 -1.214
267 HD3 LYS 33 HD1 LYS 33 2.406 -13.515 -0.026
268 HE2 LYS 33 HE2 LYS 33 1.561 -11.562 -1.182
269 HE3 LYS 33 HE1 LYS 33 2.897 -11.631 -2.328
270 HZ1 LYS 33 HZ1 LYS 33 0.796 -13.705 -1.997
271 HZ2 LYS 33 HZ2 LYS 33 2.077 -13.771 -3.098
272 HZ3 LYS 33 HZ3 LYS 33 0.887 -12.584 -3.259
273 H LYS 34 HN LYS 34 4.408 -10.533 1.993
274 HA LYS 34 HA LYS 34 4.650 -7.682 2.508
275 HB2 LYS 34 HB2 LYS 34 2.062 -9.212 2.265
276 HB3 LYS 34 HB1 LYS 34 2.202 -7.597 2.922
277 HG2 LYS 34 HG2 LYS 34 3.168 -6.894 0.705
278 HG3 LYS 34 HG1 LYS 34 2.697 -8.485 0.102
279 HD2 LYS 34 HD2 LYS 34 0.855 -6.399 1.271
280 HD3 LYS 34 HD1 LYS 34 0.998 -6.826 -0.434
281 HE2 LYS 34 HE2 LYS 34 0.144 -9.029 -0.010
282 HE3 LYS 34 HE1 LYS 34 0.172 -8.754 1.731
283 HZ1 LYS 34 HZ1 LYS 34 -1.464 -6.956 1.377
284 HZ2 LYS 34 HZ2 LYS 34 -2.047 -8.487 0.952
285 HZ3 LYS 34 HZ3 LYS 34 -1.569 -7.404 -0.255
286 H ARG 35 HN ARG 35 5.073 -7.348 4.588
287 HA ARG 35 HA ARG 35 4.851 -9.530 6.477
288 HB2 ARG 35 HB2 ARG 35 6.833 -7.945 6.321
289 HB3 ARG 35 HB1 ARG 35 5.795 -6.713 7.022
290 HG2 ARG 35 HG2 ARG 35 5.472 -8.166 8.994
291 HG3 ARG 35 HG1 ARG 35 6.616 -9.313 8.296
292 HD2 ARG 35 HD2 ARG 35 7.732 -7.897 9.919
293 HD3 ARG 35 HD1 ARG 35 8.344 -7.570 8.298
294 HE ARG 35 HE ARG 35 6.318 -5.753 8.697
295 HH11 ARG 35 HH11 ARG 35 9.364 -6.519 10.249
296 HH12 ARG 35 HH12 ARG 35 9.611 -4.905 10.838
297 HH21 ARG 35 HH21 ARG 35 6.644 -3.639 9.464
298 HH22 ARG 35 HH22 ARG 35 8.063 -3.270 10.397
299 H GLN 36 HN GLN 36 2.423 -9.326 6.012
300 HA GLN 36 HA GLN 36 1.154 -7.217 7.587
301 HB2 GLN 36 HB2 GLN 36 -0.967 -8.188 6.535
302 HB3 GLN 36 HB1 GLN 36 0.154 -7.357 5.467
303 HG2 GLN 36 HG2 GLN 36 0.998 -9.442 4.637
304 HG3 GLN 36 HG1 GLN 36 0.044 -10.343 5.811
305 HE21 GLN 36 HE21 GLN 36 -1.052 -11.507 4.277
306 HE22 GLN 36 HE22 GLN 36 -2.240 -10.804 3.236
Start of MODEL 11
1 H1 THR 1 HT1 THR 1 -14.998 8.143 12.074
2 H2 THR 1 HT2 THR 1 -13.634 7.317 11.520
3 H3 THR 1 HT3 THR 1 -14.624 6.619 12.697
4 HA THR 1 HA THR 1 -16.432 6.455 11.149
5 HB THR 1 HB THR 1 -14.483 7.517 9.095
6 HG1 THR 1 HG1 THR 1 -15.792 9.379 9.118
7 HG21 THR 1 HG21 THR 1 -17.425 6.857 8.903
8 HG22 THR 1 HG22 THR 1 -16.110 5.914 8.205
9 HG23 THR 1 HG23 THR 1 -16.436 7.544 7.616
10 H TRP 2 HN TRP 2 -16.533 4.302 11.006
11 HA TRP 2 HA TRP 2 -14.179 2.753 10.260
12 HB2 TRP 2 HB2 TRP 2 -15.651 2.095 12.186
13 HB3 TRP 2 HB1 TRP 2 -16.928 1.760 11.019
14 HD1 TRP 2 HD1 TRP 2 -16.777 -0.457 9.656
15 HE1 TRP 2 HE1 TRP 2 -15.276 -2.546 9.796
16 HE3 TRP 2 HE3 TRP 2 -13.168 1.380 12.757
17 HZ2 TRP 2 HZ2 TRP 2 -12.861 -3.298 11.060
18 HZ3 TRP 2 HZ3 TRP 2 -11.292 -0.082 13.381
19 HH2 TRP 2 HH2 TRP 2 -11.142 -2.372 12.550
20 H SER 3 HN SER 3 -14.281 1.136 8.586
21 HA SER 3 HA SER 3 -15.108 2.130 6.124
22 HB2 SER 3 HB2 SER 3 -14.531 -0.753 6.845
23 HB3 SER 3 HB1 SER 3 -14.459 -0.045 5.232
24 HG SER 3 HG SER 3 -12.395 -0.228 6.312
25 H GLY 4 HN GLY 4 -17.210 2.584 5.794
26 HA2 GLY 4 HA2 GLY 4 -19.070 0.308 5.805
27 HA3 GLY 4 HA1 GLY 4 -19.539 1.812 6.585
28 H THR 5 HN THR 5 -19.083 3.796 5.042
29 HA THR 5 HA THR 5 -20.754 3.364 2.750
30 HB THR 5 HB THR 5 -20.347 5.803 2.319
31 HG1 THR 5 HG1 THR 5 -19.225 6.145 4.835
32 HG21 THR 5 HG21 THR 5 -22.241 5.053 3.675
33 HG22 THR 5 HG22 THR 5 -21.604 6.589 4.263
34 HG23 THR 5 HG23 THR 5 -21.227 5.093 5.117
35 H LYS 6 HN LYS 6 -17.460 4.650 3.139
36 HA LYS 6 HA LYS 6 -16.866 3.927 0.365
37 HB2 LYS 6 HB2 LYS 6 -15.239 5.492 2.371
38 HB3 LYS 6 HB1 LYS 6 -14.782 5.212 0.699
39 HG2 LYS 6 HG2 LYS 6 -16.866 6.420 0.026
40 HG3 LYS 6 HG1 LYS 6 -17.086 6.843 1.723
41 HD2 LYS 6 HD2 LYS 6 -14.654 7.529 0.074
42 HD3 LYS 6 HD1 LYS 6 -15.992 8.629 0.393
43 HE2 LYS 6 HE2 LYS 6 -14.392 9.238 1.971
44 HE3 LYS 6 HE1 LYS 6 -15.487 8.201 2.874
45 HZ1 LYS 6 HZ1 LYS 6 -13.103 7.764 3.279
46 HZ2 LYS 6 HZ2 LYS 6 -12.940 7.267 1.675
47 HZ3 LYS 6 HZ3 LYS 6 -13.941 6.410 2.731
48 H LYS 7 HN LYS 7 -17.219 1.803 2.159
49 HA LYS 7 HA LYS 7 -14.852 0.956 3.413
50 HB2 LYS 7 HB2 LYS 7 -15.917 -1.239 3.585
51 HB3 LYS 7 HB1 LYS 7 -17.022 0.050 4.035
52 HG2 LYS 7 HG2 LYS 7 -18.068 -0.106 1.813
53 HG3 LYS 7 HG1 LYS 7 -16.992 -1.453 1.429
54 HD2 LYS 7 HD2 LYS 7 -17.899 -2.698 3.349
55 HD3 LYS 7 HD1 LYS 7 -19.008 -1.365 3.671
56 HE2 LYS 7 HE2 LYS 7 -20.002 -1.686 1.442
57 HE3 LYS 7 HE1 LYS 7 -18.925 -3.056 1.176
58 HZ1 LYS 7 HZ1 LYS 7 -21.018 -3.878 1.895
59 HZ2 LYS 7 HZ2 LYS 7 -21.060 -2.830 3.219
60 HZ3 LYS 7 HZ3 LYS 7 -19.934 -4.088 3.176
61 H ARG 8 HN ARG 8 -15.836 0.846 0.112
62 HA ARG 8 HA ARG 8 -14.043 -1.188 -0.742
63 HB2 ARG 8 HB2 ARG 8 -15.972 -0.376 -2.095
64 HB3 ARG 8 HB1 ARG 8 -15.133 1.151 -2.325
65 HG2 ARG 8 HG2 ARG 8 -14.858 -0.205 -4.284
66 HG3 ARG 8 HG1 ARG 8 -13.304 -0.066 -3.456
67 HD2 ARG 8 HD2 ARG 8 -13.719 -2.267 -2.404
68 HD3 ARG 8 HD1 ARG 8 -15.201 -2.408 -3.346
69 HE ARG 8 HE ARG 8 -13.181 -1.942 -5.169
70 HH11 ARG 8 HH11 ARG 8 -13.973 -4.364 -2.779
71 HH12 ARG 8 HH12 ARG 8 -13.158 -5.647 -3.610
72 HH21 ARG 8 HH21 ARG 8 -12.083 -3.630 -6.273
73 HH22 ARG 8 HH22 ARG 8 -12.071 -5.226 -5.595
74 H ALA 9 HN ALA 9 -13.875 2.367 -0.892
75 HA ALA 9 HA ALA 9 -11.211 2.489 -1.791
76 HB1 ALA 9 HB1 ALA 9 -12.767 4.359 -2.013
77 HB2 ALA 9 HB2 ALA 9 -11.291 4.845 -1.179
78 HB3 ALA 9 HB3 ALA 9 -12.772 4.564 -0.261
79 H GLN 10 HN GLN 10 -12.613 2.512 1.457
80 HA GLN 10 HA GLN 10 -10.225 3.117 2.841
81 HB2 GLN 10 HB2 GLN 10 -12.707 1.661 3.759
82 HB3 GLN 10 HB1 GLN 10 -11.411 2.175 4.827
83 HG2 GLN 10 HG2 GLN 10 -13.188 3.954 3.176
84 HG3 GLN 10 HG1 GLN 10 -13.245 3.733 4.924
85 HE21 GLN 10 HE21 GLN 10 -11.561 4.579 6.191
86 HE22 GLN 10 HE22 GLN 10 -10.545 5.852 5.609
87 H ARG 11 HN ARG 11 -11.433 0.170 1.458
88 HA ARG 11 HA ARG 11 -9.567 -1.468 2.939
89 HB2 ARG 11 HB2 ARG 11 -11.429 -2.729 2.574
90 HB3 ARG 11 HB1 ARG 11 -11.811 -1.926 1.058
91 HG2 ARG 11 HG2 ARG 11 -10.357 -3.260 -0.154
92 HG3 ARG 11 HG1 ARG 11 -9.483 -3.792 1.284
93 HD2 ARG 11 HD2 ARG 11 -12.353 -4.469 0.645
94 HD3 ARG 11 HD1 ARG 11 -10.979 -5.538 0.363
95 HE ARG 11 HE ARG 11 -10.692 -5.053 2.956
96 HH11 ARG 11 HH11 ARG 11 -13.568 -5.893 1.135
97 HH12 ARG 11 HH12 ARG 11 -14.359 -6.633 2.490
98 HH21 ARG 11 HH21 ARG 11 -11.726 -6.042 4.728
99 HH22 ARG 11 HH22 ARG 11 -13.306 -6.738 4.527
100 H ILE 12 HN ILE 12 -10.015 -0.279 -0.371
101 HA ILE 12 HA ILE 12 -7.712 -1.520 -1.444
102 HB ILE 12 HB ILE 12 -9.145 0.984 -2.358
103 HG12 ILE 12 HG12 ILE 12 -9.352 -1.881 -3.311
104 HG13 ILE 12 HG11 ILE 12 -10.534 -1.063 -2.295
105 HG21 ILE 12 HG21 ILE 12 -7.165 -0.750 -3.841
106 HG22 ILE 12 HG22 ILE 12 -6.872 0.888 -3.255
107 HG23 ILE 12 HG23 ILE 12 -8.065 0.605 -4.525
108 HD11 ILE 12 HD11 ILE 12 -10.972 0.527 -4.094
109 HD12 ILE 12 HD12 ILE 12 -11.266 -1.137 -4.601
110 HD13 ILE 12 HD13 ILE 12 -9.796 -0.307 -5.111
111 H LEU 13 HN LEU 13 -8.265 1.458 0.287
112 HA LEU 13 HA LEU 13 -5.892 2.807 -0.080
113 HB2 LEU 13 HB2 LEU 13 -7.808 3.705 1.145
114 HB3 LEU 13 HB1 LEU 13 -7.551 2.544 2.430
115 HG LEU 13 HG LEU 13 -5.357 3.633 2.909
116 HD11 LEU 13 HD11 LEU 13 -5.001 5.901 1.991
117 HD12 LEU 13 HD12 LEU 13 -6.345 5.632 0.880
118 HD13 LEU 13 HD13 LEU 13 -4.894 4.635 0.770
119 HD21 LEU 13 HD21 LEU 13 -7.800 5.393 3.034
120 HD22 LEU 13 HD22 LEU 13 -6.333 5.606 3.988
121 HD23 LEU 13 HD23 LEU 13 -7.332 4.170 4.214
122 H ILE 14 HN ILE 14 -6.606 0.098 2.058
123 HA ILE 14 HA ILE 14 -4.208 0.028 3.502
124 HB ILE 14 HB ILE 14 -5.905 -2.325 2.631
125 HG12 ILE 14 HG12 ILE 14 -6.023 -0.692 5.180
126 HG13 ILE 14 HG11 ILE 14 -7.190 -0.603 3.864
127 HG21 ILE 14 HG21 ILE 14 -3.916 -2.068 4.886
128 HG22 ILE 14 HG22 ILE 14 -3.702 -3.003 3.406
129 HG23 ILE 14 HG23 ILE 14 -4.941 -3.468 4.571
130 HD11 ILE 14 HD11 ILE 14 -8.021 -1.952 5.702
131 HD12 ILE 14 HD12 ILE 14 -6.627 -3.022 5.559
132 HD13 ILE 14 HD13 ILE 14 -7.804 -2.926 4.249
133 H PHE 15 HN PHE 15 -5.145 -1.570 0.492
134 HA PHE 15 HA PHE 15 -2.666 -2.916 0.148
135 HB2 PHE 15 HB2 PHE 15 -4.900 -2.359 -1.807
136 HB3 PHE 15 HB1 PHE 15 -3.548 -3.444 -2.108
137 HD1 PHE 15 HD1 PHE 15 -3.274 -5.465 -0.634
138 HD2 PHE 15 HD2 PHE 15 -6.780 -3.064 -0.617
139 HE1 PHE 15 HE1 PHE 15 -4.519 -7.292 0.440
140 HE2 PHE 15 HE2 PHE 15 -8.029 -4.882 0.457
141 HZ PHE 15 HZ PHE 15 -6.901 -7.004 0.987
142 H LEU 16 HN LEU 16 -4.027 0.081 -1.143
143 HA LEU 16 HA LEU 16 -1.887 0.584 -2.928
144 HB2 LEU 16 HB2 LEU 16 -2.933 2.549 -3.439
145 HB3 LEU 16 HB1 LEU 16 -4.274 1.635 -2.790
146 HG LEU 16 HG LEU 16 -3.758 2.859 -0.570
147 HD11 LEU 16 HD11 LEU 16 -2.698 4.999 -0.782
148 HD12 LEU 16 HD12 LEU 16 -2.492 4.775 -2.519
149 HD13 LEU 16 HD13 LEU 16 -1.591 3.765 -1.390
150 HD21 LEU 16 HD21 LEU 16 -5.745 3.179 -1.991
151 HD22 LEU 16 HD22 LEU 16 -4.853 4.368 -2.938
152 HD23 LEU 16 HD23 LEU 16 -5.209 4.682 -1.241
153 H LEU 17 HN LEU 17 -2.411 1.227 0.464
154 HA LEU 17 HA LEU 17 -0.130 2.857 0.884
155 HB2 LEU 17 HB2 LEU 17 -2.160 2.295 2.436
156 HB3 LEU 17 HB1 LEU 17 -1.192 0.922 2.926
157 HG LEU 17 HG LEU 17 -0.240 3.780 3.159
158 HD11 LEU 17 HD11 LEU 17 -1.533 2.034 5.250
159 HD12 LEU 17 HD12 LEU 17 -2.258 3.454 4.497
160 HD13 LEU 17 HD13 LEU 17 -0.832 3.629 5.518
161 HD21 LEU 17 HD21 LEU 17 1.534 2.096 3.150
162 HD22 LEU 17 HD22 LEU 17 0.714 1.221 4.445
163 HD23 LEU 17 HD23 LEU 17 1.361 2.835 4.742
164 H GLU 18 HN GLU 18 -0.687 -0.644 1.046
165 HA GLU 18 HA GLU 18 1.930 -1.390 1.762
166 HB2 GLU 18 HB2 GLU 18 -0.077 -2.945 0.124
167 HB3 GLU 18 HB1 GLU 18 1.360 -3.615 0.881
168 HG2 GLU 18 HG2 GLU 18 0.407 -2.868 3.084
169 HG3 GLU 18 HG1 GLU 18 -1.087 -2.509 2.219
170 H PHE 19 HN PHE 19 0.473 -0.592 -1.319
171 HA PHE 19 HA PHE 19 2.425 -1.552 -3.061
172 HB2 PHE 19 HB2 PHE 19 0.287 -0.605 -3.831
173 HB3 PHE 19 HB1 PHE 19 0.801 0.993 -3.308
174 HD1 PHE 19 HD2 PHE 19 1.340 -1.681 -5.762
175 HD2 PHE 19 HD1 PHE 19 2.324 2.297 -4.614
176 HE1 PHE 19 HE2 PHE 19 2.369 -1.301 -7.964
177 HE2 PHE 19 HE1 PHE 19 3.354 2.682 -6.811
178 HZ PHE 19 HZ PHE 19 3.381 0.879 -8.487
179 H LEU 20 HN LEU 20 2.228 1.553 -1.365
180 HA LEU 20 HA LEU 20 4.624 2.606 -2.415
181 HB2 LEU 20 HB2 LEU 20 2.919 3.262 -0.048
182 HB3 LEU 20 HB1 LEU 20 4.499 4.005 -0.198
183 HG LEU 20 HG LEU 20 2.858 5.524 -1.054
184 HD11 LEU 20 HD11 LEU 20 3.688 5.924 -3.274
185 HD12 LEU 20 HD12 LEU 20 4.257 4.261 -3.402
186 HD13 LEU 20 HD13 LEU 20 5.014 5.366 -2.253
187 HD21 LEU 20 HD21 LEU 20 1.412 4.956 -2.959
188 HD22 LEU 20 HD22 LEU 20 1.058 3.983 -1.531
189 HD23 LEU 20 HD23 LEU 20 1.974 3.287 -2.866
190 H LEU 21 HN LEU 21 3.959 0.520 0.320
191 HA LEU 21 HA LEU 21 6.589 0.756 1.456
192 HB2 LEU 21 HB2 LEU 21 4.595 -1.476 1.864
193 HB3 LEU 21 HB1 LEU 21 5.922 -1.036 2.922
194 HG LEU 21 HG LEU 21 3.496 0.666 2.379
195 HD11 LEU 21 HD11 LEU 21 4.237 -0.992 4.785
196 HD12 LEU 21 HD12 LEU 21 2.929 -1.323 3.651
197 HD13 LEU 21 HD13 LEU 21 2.862 0.107 4.680
198 HD21 LEU 21 HD21 LEU 21 5.476 1.991 2.896
199 HD22 LEU 21 HD22 LEU 21 5.765 1.018 4.339
200 HD23 LEU 21 HD23 LEU 21 4.327 2.033 4.232
201 H ASP 22 HN ASP 22 4.941 -1.470 -0.694
202 HA ASP 22 HA ASP 22 7.075 -3.353 -0.871
203 HB2 ASP 22 HB2 ASP 22 4.846 -4.078 -1.395
204 HB3 ASP 22 HB1 ASP 22 4.676 -2.839 -2.633
205 H PHE 23 HN PHE 23 6.027 -0.646 -2.901
206 HA PHE 23 HA PHE 23 7.988 -1.018 -4.911
207 HB2 PHE 23 HB2 PHE 23 5.877 0.346 -5.128
208 HB3 PHE 23 HB1 PHE 23 6.648 1.582 -4.140
209 HD1 PHE 23 HD2 PHE 23 6.871 -0.249 -7.336
210 HD2 PHE 23 HD1 PHE 23 8.162 3.121 -5.084
211 HE1 PHE 23 HE2 PHE 23 7.893 0.706 -9.360
212 HE2 PHE 23 HE1 PHE 23 9.184 4.083 -7.103
213 HZ PHE 23 HZ PHE 23 9.051 2.876 -9.245
214 H CYS 24 HN CYS 24 7.825 1.105 -2.084
215 HA CYS 24 HA CYS 24 10.658 1.769 -2.361
216 HB2 CYS 24 HB2 CYS 24 8.588 2.709 -0.379
217 HB3 CYS 24 HB1 CYS 24 10.221 3.342 -0.520
218 HG CYS 24 HG CYS 24 9.067 5.339 -1.768
219 H THR 25 HN THR 25 10.323 -0.844 -1.903
220 HA THR 25 HA THR 25 10.082 -1.614 0.810
221 HB THR 25 HB THR 25 9.658 -3.084 -1.192
222 HG1 THR 25 HG1 THR 25 9.937 -4.772 0.077
223 HG21 THR 25 HG21 THR 25 12.668 -3.311 -1.192
224 HG22 THR 25 HG22 THR 25 11.676 -2.603 -2.466
225 HG23 THR 25 HG23 THR 25 11.564 -4.328 -2.117
226 H GLY 26 HN GLY 26 12.691 -0.405 -1.051
227 HA2 GLY 26 HA2 GLY 26 14.523 0.559 0.220
228 HA3 GLY 26 HA1 GLY 26 14.471 -0.861 1.253
229 H GLU 27 HN GLU 27 16.195 0.585 -1.101
230 HA GLU 27 HA GLU 27 16.924 -1.662 -2.712
231 HB2 GLU 27 HB2 GLU 27 18.378 0.948 -2.235
232 HB3 GLU 27 HB1 GLU 27 18.763 -0.215 -3.496
233 HG2 GLU 27 HG2 GLU 27 16.551 0.141 -4.485
234 HG3 GLU 27 HG1 GLU 27 16.196 1.331 -3.234
235 H ASP 28 HN ASP 28 17.820 -0.429 0.357
236 HA ASP 28 HA ASP 28 20.308 -1.825 0.620
237 HB2 ASP 28 HB2 ASP 28 20.110 -1.228 3.012
238 HB3 ASP 28 HB1 ASP 28 19.851 0.162 1.961
239 H SER 29 HN SER 29 17.065 -2.723 0.706
240 HA SER 29 HA SER 29 17.510 -5.060 2.392
241 HB2 SER 29 HB2 SER 29 14.983 -4.148 0.991
242 HB3 SER 29 HB1 SER 29 15.106 -5.372 2.257
243 HG SER 29 HG SER 29 16.250 -3.134 3.140
244 H VAL 30 HN VAL 30 16.010 -6.991 1.275
245 HA VAL 30 HA VAL 30 16.778 -7.230 -1.523
246 HB VAL 30 HB VAL 30 18.648 -8.262 -0.437
247 HG11 VAL 30 HG11 VAL 30 16.667 -9.939 1.091
248 HG12 VAL 30 HG12 VAL 30 17.734 -8.699 1.749
249 HG13 VAL 30 HG13 VAL 30 18.414 -10.183 1.083
250 HG21 VAL 30 HG21 VAL 30 16.787 -10.392 -1.475
251 HG22 VAL 30 HG22 VAL 30 18.540 -10.526 -1.339
252 HG23 VAL 30 HG23 VAL 30 17.829 -9.357 -2.451
253 H ASP 31 HN ASP 31 14.565 -6.925 -1.848
254 HA ASP 31 HA ASP 31 12.513 -8.554 -0.865
255 HB2 ASP 31 HB2 ASP 31 11.997 -6.506 -2.038
256 HB3 ASP 31 HB1 ASP 31 12.759 -7.106 -3.508
257 H GLY 32 HN GLY 32 12.432 -10.687 -0.974
258 HA2 GLY 32 HA2 GLY 32 12.313 -12.089 -3.420
259 HA3 GLY 32 HA1 GLY 32 13.899 -12.317 -2.694
260 H LYS 33 HN LYS 33 10.603 -13.173 -2.635
261 HA LYS 33 HA LYS 33 9.370 -14.672 -1.491
262 HB2 LYS 33 HB2 LYS 33 12.109 -15.795 -0.919
263 HB3 LYS 33 HB1 LYS 33 10.627 -16.589 -0.404
264 HG2 LYS 33 HG2 LYS 33 11.349 -15.937 -3.255
265 HG3 LYS 33 HG1 LYS 33 11.511 -17.520 -2.493
266 HD2 LYS 33 HD2 LYS 33 9.098 -17.587 -2.105
267 HD3 LYS 33 HD1 LYS 33 8.931 -15.994 -2.842
268 HE2 LYS 33 HE2 LYS 33 9.765 -16.883 -4.958
269 HE3 LYS 33 HE1 LYS 33 9.942 -18.474 -4.220
270 HZ1 LYS 33 HZ1 LYS 33 7.374 -17.008 -4.488
271 HZ2 LYS 33 HZ2 LYS 33 7.577 -18.577 -3.888
272 HZ3 LYS 33 HZ3 LYS 33 7.892 -18.248 -5.516
273 H LYS 34 HN LYS 34 9.059 -12.594 -0.206
274 HA LYS 34 HA LYS 34 10.010 -12.682 2.513
275 HB2 LYS 34 HB2 LYS 34 7.782 -11.014 1.334
276 HB3 LYS 34 HB1 LYS 34 8.600 -10.738 2.864
277 HG2 LYS 34 HG2 LYS 34 10.694 -10.314 1.635
278 HG3 LYS 34 HG1 LYS 34 9.816 -10.508 0.120
279 HD2 LYS 34 HD2 LYS 34 9.310 -8.418 2.234
280 HD3 LYS 34 HD1 LYS 34 10.057 -8.154 0.660
281 HE2 LYS 34 HE2 LYS 34 7.226 -9.082 1.142
282 HE3 LYS 34 HE1 LYS 34 7.710 -7.451 0.688
283 HZ1 LYS 34 HZ1 LYS 34 8.644 -8.390 -1.376
284 HZ2 LYS 34 HZ2 LYS 34 6.972 -8.624 -1.244
285 HZ3 LYS 34 HZ3 LYS 34 8.029 -9.909 -0.946
286 H ARG 35 HN ARG 35 7.067 -13.395 0.733
287 HA ARG 35 HA ARG 35 5.775 -14.391 3.152
288 HB2 ARG 35 HB2 ARG 35 4.584 -12.898 1.471
289 HB3 ARG 35 HB1 ARG 35 4.625 -14.262 0.364
290 HG2 ARG 35 HG2 ARG 35 2.476 -14.092 1.486
291 HG3 ARG 35 HG1 ARG 35 3.307 -15.586 1.928
292 HD2 ARG 35 HD2 ARG 35 3.963 -14.677 4.037
293 HD3 ARG 35 HD1 ARG 35 3.400 -13.072 3.582
294 HE ARG 35 HE ARG 35 1.212 -14.766 3.431
295 HH11 ARG 35 HH11 ARG 35 3.444 -13.625 5.862
296 HH12 ARG 35 HH12 ARG 35 2.292 -13.717 7.154
297 HH21 ARG 35 HH21 ARG 35 -0.330 -14.863 5.118
298 HH22 ARG 35 HH22 ARG 35 0.135 -14.415 6.729
299 H GLN 36 HN GLN 36 6.668 -16.336 3.606
300 HA GLN 36 HA GLN 36 6.900 -18.309 1.445
301 HB2 GLN 36 HB2 GLN 36 8.092 -18.336 4.227
302 HB3 GLN 36 HB1 GLN 36 8.378 -19.538 2.975
303 HG2 GLN 36 HG2 GLN 36 9.471 -17.883 1.589
304 HG3 GLN 36 HG1 GLN 36 9.118 -16.627 2.775
305 HE21 GLN 36 HE21 GLN 36 11.273 -16.129 3.073
306 HE22 GLN 36 HE22 GLN 36 12.357 -17.173 3.924
Start of MODEL 12
1 H1 THR 1 HT1 THR 1 -22.380 3.213 -8.527
2 H2 THR 1 HT2 THR 1 -20.813 3.779 -8.807
3 H3 THR 1 HT3 THR 1 -21.682 4.321 -7.462
4 HA THR 1 HA THR 1 -20.755 1.553 -7.930
5 HB THR 1 HB THR 1 -19.851 3.510 -5.809
6 HG1 THR 1 HG1 THR 1 -18.443 2.757 -8.180
7 HG21 THR 1 HG21 THR 1 -18.705 0.877 -6.758
8 HG22 THR 1 HG22 THR 1 -19.568 1.143 -5.244
9 HG23 THR 1 HG23 THR 1 -18.006 1.917 -5.515
10 H TRP 2 HN TRP 2 -21.810 0.059 -6.784
11 HA TRP 2 HA TRP 2 -23.746 0.971 -4.764
12 HB2 TRP 2 HB2 TRP 2 -24.565 -0.253 -6.831
13 HB3 TRP 2 HB1 TRP 2 -23.731 -1.677 -6.219
14 HD1 TRP 2 HD1 TRP 2 -24.802 -2.916 -4.118
15 HE1 TRP 2 HE1 TRP 2 -27.153 -2.825 -3.066
16 HE3 TRP 2 HE3 TRP 2 -26.508 1.348 -6.345
17 HZ2 TRP 2 HZ2 TRP 2 -29.422 -1.150 -3.166
18 HZ3 TRP 2 HZ3 TRP 2 -28.778 2.133 -5.812
19 HH2 TRP 2 HH2 TRP 2 -30.202 0.908 -4.256
20 H SER 3 HN SER 3 -23.703 0.136 -2.728
21 HA SER 3 HA SER 3 -22.857 -0.792 -0.844
22 HB2 SER 3 HB2 SER 3 -23.574 -2.885 -1.930
23 HB3 SER 3 HB1 SER 3 -22.014 -3.006 -2.737
24 HG SER 3 HG SER 3 -21.093 -3.022 -0.559
25 H GLY 4 HN GLY 4 -21.254 1.127 -2.117
26 HA2 GLY 4 HA2 GLY 4 -18.700 0.483 -0.941
27 HA3 GLY 4 HA1 GLY 4 -18.656 0.620 -2.692
28 H THR 5 HN THR 5 -19.989 2.411 0.089
29 HA THR 5 HA THR 5 -19.789 4.940 -1.191
30 HB THR 5 HB THR 5 -20.060 5.828 1.183
31 HG1 THR 5 HG1 THR 5 -20.848 3.299 2.030
32 HG21 THR 5 HG21 THR 5 -22.088 3.830 0.172
33 HG22 THR 5 HG22 THR 5 -21.967 5.518 -0.316
34 HG23 THR 5 HG23 THR 5 -22.403 5.110 1.342
35 H LYS 6 HN LYS 6 -18.135 4.103 1.824
36 HA LYS 6 HA LYS 6 -15.630 5.159 0.677
37 HB2 LYS 6 HB2 LYS 6 -16.516 5.335 3.562
38 HB3 LYS 6 HB1 LYS 6 -15.073 6.051 2.861
39 HG2 LYS 6 HG2 LYS 6 -16.419 7.549 1.523
40 HG3 LYS 6 HG1 LYS 6 -17.895 6.782 2.108
41 HD2 LYS 6 HD2 LYS 6 -17.496 8.873 3.280
42 HD3 LYS 6 HD1 LYS 6 -17.355 7.508 4.389
43 HE2 LYS 6 HE2 LYS 6 -14.951 7.618 4.289
44 HE3 LYS 6 HE1 LYS 6 -15.023 8.870 3.052
45 HZ1 LYS 6 HZ1 LYS 6 -16.055 9.162 5.817
46 HZ2 LYS 6 HZ2 LYS 6 -16.009 10.367 4.632
47 HZ3 LYS 6 HZ3 LYS 6 -14.571 9.756 5.272
48 H LYS 7 HN LYS 7 -17.194 2.496 1.918
49 HA LYS 7 HA LYS 7 -15.194 1.321 3.541
50 HB2 LYS 7 HB2 LYS 7 -17.433 -0.016 2.013
51 HB3 LYS 7 HB1 LYS 7 -16.500 -0.742 3.313
52 HG2 LYS 7 HG2 LYS 7 -17.378 0.902 4.878
53 HG3 LYS 7 HG1 LYS 7 -18.293 1.663 3.576
54 HD2 LYS 7 HD2 LYS 7 -19.761 0.227 4.835
55 HD3 LYS 7 HD1 LYS 7 -19.504 -0.473 3.238
56 HE2 LYS 7 HE2 LYS 7 -17.810 -1.981 4.197
57 HE3 LYS 7 HE1 LYS 7 -18.128 -1.301 5.792
58 HZ1 LYS 7 HZ1 LYS 7 -20.411 -2.085 5.618
59 HZ2 LYS 7 HZ2 LYS 7 -19.319 -3.366 5.473
60 HZ3 LYS 7 HZ3 LYS 7 -20.086 -2.750 4.097
61 H ARG 8 HN ARG 8 -15.904 1.160 0.102
62 HA ARG 8 HA ARG 8 -14.075 -0.986 -0.408
63 HB2 ARG 8 HB2 ARG 8 -16.136 -0.366 -1.788
64 HB3 ARG 8 HB1 ARG 8 -15.204 0.980 -2.413
65 HG2 ARG 8 HG2 ARG 8 -14.286 -1.866 -2.675
66 HG3 ARG 8 HG1 ARG 8 -15.347 -1.097 -3.853
67 HD2 ARG 8 HD2 ARG 8 -12.564 -0.232 -3.086
68 HD3 ARG 8 HD1 ARG 8 -13.057 -0.973 -4.609
69 HE ARG 8 HE ARG 8 -14.564 1.176 -4.677
70 HH11 ARG 8 HH11 ARG 8 -11.245 0.915 -3.619
71 HH12 ARG 8 HH12 ARG 8 -10.825 2.531 -4.081
72 HH21 ARG 8 HH21 ARG 8 -14.021 3.311 -5.299
73 HH22 ARG 8 HH22 ARG 8 -12.411 3.900 -5.029
74 H ALA 9 HN ALA 9 -13.965 2.501 -0.378
75 HA ALA 9 HA ALA 9 -11.480 2.782 -1.722
76 HB1 ALA 9 HB1 ALA 9 -13.086 4.621 -1.510
77 HB2 ALA 9 HB2 ALA 9 -11.499 5.064 -0.883
78 HB3 ALA 9 HB3 ALA 9 -12.805 4.661 0.230
79 H GLN 10 HN GLN 10 -12.382 2.743 1.726
80 HA GLN 10 HA GLN 10 -9.743 3.101 2.663
81 HB2 GLN 10 HB2 GLN 10 -10.627 2.394 4.860
82 HB3 GLN 10 HB1 GLN 10 -11.605 3.633 4.096
83 HG2 GLN 10 HG2 GLN 10 -13.312 2.327 4.690
84 HG3 GLN 10 HG1 GLN 10 -12.876 1.402 3.257
85 HE21 GLN 10 HE21 GLN 10 -14.180 0.566 5.729
86 HE22 GLN 10 HE22 GLN 10 -13.209 -0.708 6.379
87 H ARG 11 HN ARG 11 -11.550 0.238 1.769
88 HA ARG 11 HA ARG 11 -9.728 -1.590 2.974
89 HB2 ARG 11 HB2 ARG 11 -10.931 -3.333 1.914
90 HB3 ARG 11 HB1 ARG 11 -12.121 -2.116 2.344
91 HG2 ARG 11 HG2 ARG 11 -12.168 -1.330 0.050
92 HG3 ARG 11 HG1 ARG 11 -10.944 -2.522 -0.391
93 HD2 ARG 11 HD2 ARG 11 -13.628 -3.215 0.788
94 HD3 ARG 11 HD1 ARG 11 -13.288 -3.188 -0.941
95 HE ARG 11 HE ARG 11 -11.679 -4.977 -0.558
96 HH11 ARG 11 HH11 ARG 11 -13.988 -4.368 2.010
97 HH12 ARG 11 HH12 ARG 11 -13.893 -5.976 2.640
98 HH21 ARG 11 HH21 ARG 11 -11.554 -7.090 0.283
99 HH22 ARG 11 HH22 ARG 11 -12.509 -7.523 1.667
100 H ILE 12 HN ILE 12 -9.950 -0.054 -0.177
101 HA ILE 12 HA ILE 12 -7.814 -1.636 -1.293
102 HB ILE 12 HB ILE 12 -9.150 0.881 -2.299
103 HG12 ILE 12 HG12 ILE 12 -10.628 -1.053 -2.272
104 HG13 ILE 12 HG11 ILE 12 -10.195 -0.655 -3.930
105 HG21 ILE 12 HG21 ILE 12 -8.059 0.427 -4.446
106 HG22 ILE 12 HG22 ILE 12 -7.164 -0.901 -3.706
107 HG23 ILE 12 HG23 ILE 12 -6.885 0.757 -3.172
108 HD11 ILE 12 HD11 ILE 12 -9.087 -2.897 -2.262
109 HD12 ILE 12 HD12 ILE 12 -8.502 -2.459 -3.865
110 HD13 ILE 12 HD13 ILE 12 -10.157 -3.028 -3.657
111 H LEU 13 HN LEU 13 -8.182 1.425 0.336
112 HA LEU 13 HA LEU 13 -5.751 2.638 -0.090
113 HB2 LEU 13 HB2 LEU 13 -7.676 3.537 1.234
114 HB3 LEU 13 HB1 LEU 13 -7.244 2.461 2.539
115 HG LEU 13 HG LEU 13 -6.575 4.871 2.831
116 HD11 LEU 13 HD11 LEU 13 -5.550 3.133 4.173
117 HD12 LEU 13 HD12 LEU 13 -4.369 4.376 3.759
118 HD13 LEU 13 HD13 LEU 13 -4.361 2.832 2.907
119 HD21 LEU 13 HD21 LEU 13 -4.588 5.668 1.686
120 HD22 LEU 13 HD22 LEU 13 -5.874 5.309 0.537
121 HD23 LEU 13 HD23 LEU 13 -4.528 4.186 0.732
122 H ILE 14 HN ILE 14 -6.570 0.023 2.135
123 HA ILE 14 HA ILE 14 -4.152 -0.254 3.478
124 HB ILE 14 HB ILE 14 -6.028 -2.470 2.624
125 HG12 ILE 14 HG12 ILE 14 -5.965 -0.841 5.177
126 HG13 ILE 14 HG11 ILE 14 -7.147 -0.657 3.885
127 HG21 ILE 14 HG21 ILE 14 -3.990 -2.379 4.847
128 HG22 ILE 14 HG22 ILE 14 -3.856 -3.308 3.354
129 HG23 ILE 14 HG23 ILE 14 -5.112 -3.702 4.529
130 HD11 ILE 14 HD11 ILE 14 -7.942 -2.923 4.287
131 HD12 ILE 14 HD12 ILE 14 -8.047 -1.933 5.742
132 HD13 ILE 14 HD13 ILE 14 -6.749 -3.114 5.572
133 H PHE 15 HN PHE 15 -5.207 -1.708 0.422
134 HA PHE 15 HA PHE 15 -2.790 -3.194 0.067
135 HB2 PHE 15 HB2 PHE 15 -5.050 -2.572 -1.836
136 HB3 PHE 15 HB1 PHE 15 -3.722 -3.669 -2.193
137 HD1 PHE 15 HD2 PHE 15 -3.449 -5.742 -0.804
138 HD2 PHE 15 HD1 PHE 15 -6.888 -3.253 -0.565
139 HE1 PHE 15 HE2 PHE 15 -4.691 -7.566 0.284
140 HE2 PHE 15 HE1 PHE 15 -8.133 -5.063 0.525
141 HZ PHE 15 HZ PHE 15 -7.037 -7.225 0.951
142 H LEU 16 HN LEU 16 -4.054 -0.145 -1.173
143 HA LEU 16 HA LEU 16 -1.911 0.287 -2.986
144 HB2 LEU 16 HB2 LEU 16 -2.902 2.283 -3.504
145 HB3 LEU 16 HB1 LEU 16 -4.267 1.400 -2.865
146 HG LEU 16 HG LEU 16 -3.764 2.616 -0.647
147 HD11 LEU 16 HD11 LEU 16 -2.618 4.706 -0.815
148 HD12 LEU 16 HD12 LEU 16 -2.411 4.512 -2.557
149 HD13 LEU 16 HD13 LEU 16 -1.546 3.449 -1.445
150 HD21 LEU 16 HD21 LEU 16 -5.125 4.503 -1.370
151 HD22 LEU 16 HD22 LEU 16 -5.714 3.005 -2.089
152 HD23 LEU 16 HD23 LEU 16 -4.767 4.134 -3.056
153 H LEU 17 HN LEU 17 -2.393 0.914 0.411
154 HA LEU 17 HA LEU 17 -0.076 2.456 0.875
155 HB2 LEU 17 HB2 LEU 17 -1.816 2.273 2.536
156 HB3 LEU 17 HB1 LEU 17 -1.603 0.535 2.627
157 HG LEU 17 HG LEU 17 0.622 0.856 3.602
158 HD11 LEU 17 HD11 LEU 17 1.212 2.969 2.594
159 HD12 LEU 17 HD12 LEU 17 1.306 3.088 4.351
160 HD13 LEU 17 HD13 LEU 17 -0.069 3.785 3.493
161 HD21 LEU 17 HD21 LEU 17 -0.134 1.732 5.771
162 HD22 LEU 17 HD22 LEU 17 -1.280 0.591 5.068
163 HD23 LEU 17 HD23 LEU 17 -1.606 2.323 4.999
164 H GLU 18 HN GLU 18 -0.674 -1.025 1.056
165 HA GLU 18 HA GLU 18 1.862 -1.957 1.631
166 HB2 GLU 18 HB2 GLU 18 -0.192 -3.157 -0.237
167 HB3 GLU 18 HB1 GLU 18 1.195 -4.015 0.417
168 HG2 GLU 18 HG2 GLU 18 -0.931 -2.768 2.134
169 HG3 GLU 18 HG1 GLU 18 -0.992 -4.436 1.564
170 H PHE 19 HN PHE 19 0.518 -0.882 -1.435
171 HA PHE 19 HA PHE 19 2.641 -1.592 -3.125
172 HB2 PHE 19 HB2 PHE 19 0.494 -0.843 -4.013
173 HB3 PHE 19 HB1 PHE 19 0.743 0.756 -3.323
174 HD1 PHE 19 HD1 PHE 19 1.834 -1.594 -5.917
175 HD2 PHE 19 HD2 PHE 19 2.165 2.359 -4.386
176 HE1 PHE 19 HE1 PHE 19 2.970 -0.894 -7.980
177 HE2 PHE 19 HE2 PHE 19 3.300 3.068 -6.448
178 HZ PHE 19 HZ PHE 19 3.703 1.438 -8.246
179 H LEU 20 HN LEU 20 2.011 1.454 -1.379
180 HA LEU 20 HA LEU 20 4.307 2.810 -2.217
181 HB2 LEU 20 HB2 LEU 20 2.498 3.074 0.136
182 HB3 LEU 20 HB1 LEU 20 4.027 3.927 0.170
183 HG LEU 20 HG LEU 20 2.395 5.464 -0.600
184 HD11 LEU 20 HD11 LEU 20 3.816 4.478 -3.063
185 HD12 LEU 20 HD12 LEU 20 4.564 5.457 -1.803
186 HD13 LEU 20 HD13 LEU 20 3.226 6.108 -2.749
187 HD21 LEU 20 HD21 LEU 20 0.656 3.891 -1.228
188 HD22 LEU 20 HD22 LEU 20 1.586 3.412 -2.648
189 HD23 LEU 20 HD23 LEU 20 0.953 5.053 -2.521
190 H LEU 21 HN LEU 21 3.800 0.676 0.555
191 HA LEU 21 HA LEU 21 6.362 0.985 1.692
192 HB2 LEU 21 HB2 LEU 21 4.640 -1.490 1.789
193 HB3 LEU 21 HB1 LEU 21 5.882 -1.023 2.935
194 HG LEU 21 HG LEU 21 3.275 0.421 2.486
195 HD11 LEU 21 HD11 LEU 21 4.201 -1.302 4.778
196 HD12 LEU 21 HD12 LEU 21 2.979 -1.734 3.583
197 HD13 LEU 21 HD13 LEU 21 2.685 -0.406 4.704
198 HD21 LEU 21 HD21 LEU 21 5.050 1.951 3.145
199 HD22 LEU 21 HD22 LEU 21 5.468 0.903 4.500
200 HD23 LEU 21 HD23 LEU 21 3.908 1.721 4.466
201 H ASP 22 HN ASP 22 5.070 -1.337 -0.638
202 HA ASP 22 HA ASP 22 7.461 -2.855 -0.868
203 HB2 ASP 22 HB2 ASP 22 5.227 -3.729 -1.480
204 HB3 ASP 22 HB1 ASP 22 5.187 -2.622 -2.847
205 H PHE 23 HN PHE 23 6.147 -0.130 -2.665
206 HA PHE 23 HA PHE 23 8.149 -0.090 -4.678
207 HB2 PHE 23 HB2 PHE 23 5.963 1.052 -4.907
208 HB3 PHE 23 HB1 PHE 23 6.431 2.180 -3.639
209 HD1 PHE 23 HD1 PHE 23 7.127 1.088 -7.085
210 HD2 PHE 23 HD2 PHE 23 7.833 4.041 -4.103
211 HE1 PHE 23 HE1 PHE 23 8.132 2.557 -8.784
212 HE2 PHE 23 HE2 PHE 23 8.839 5.515 -5.796
213 HZ PHE 23 HZ PHE 23 8.989 4.773 -8.140
214 H CYS 24 HN CYS 24 7.857 1.365 -1.494
215 HA CYS 24 HA CYS 24 10.416 2.728 -1.809
216 HB2 CYS 24 HB2 CYS 24 8.463 2.761 0.492
217 HB3 CYS 24 HB1 CYS 24 9.894 3.774 0.339
218 HG CYS 24 HG CYS 24 6.907 4.031 -1.210
219 H THR 25 HN THR 25 10.405 -0.128 -1.752
220 HA THR 25 HA THR 25 11.218 -1.163 0.728
221 HB THR 25 HB THR 25 12.615 -2.719 -0.953
222 HG1 THR 25 HG1 THR 25 10.545 -2.245 -2.708
223 HG21 THR 25 HG21 THR 25 10.575 -4.095 -1.199
224 HG22 THR 25 HG22 THR 25 9.613 -2.734 -0.622
225 HG23 THR 25 HG23 THR 25 10.791 -3.496 0.446
226 H GLY 26 HN GLY 26 12.935 0.547 -1.802
227 HA2 GLY 26 HA2 GLY 26 15.235 0.784 0.034
228 HA3 GLY 26 HA1 GLY 26 15.384 0.835 -1.720
229 H GLU 27 HN GLU 27 15.998 2.823 0.496
230 HA GLU 27 HA GLU 27 14.161 4.963 0.260
231 HB2 GLU 27 HB2 GLU 27 17.037 4.849 1.150
232 HB3 GLU 27 HB1 GLU 27 16.097 6.335 1.164
233 HG2 GLU 27 HG2 GLU 27 15.383 3.817 2.649
234 HG3 GLU 27 HG1 GLU 27 16.152 5.240 3.353
235 H ASP 28 HN ASP 28 17.165 4.190 -1.405
236 HA ASP 28 HA ASP 28 16.334 6.072 -3.516
237 HB2 ASP 28 HB2 ASP 28 18.450 6.780 -2.429
238 HB3 ASP 28 HB1 ASP 28 19.163 5.223 -2.843
239 H SER 29 HN SER 29 18.173 3.131 -2.856
240 HA SER 29 HA SER 29 16.860 1.791 -5.077
241 HB2 SER 29 HB2 SER 29 19.878 1.846 -4.803
242 HB3 SER 29 HB1 SER 29 18.956 0.989 -6.032
243 HG SER 29 HG SER 29 18.780 3.798 -5.703
244 H VAL 30 HN VAL 30 17.162 -0.559 -4.941
245 HA VAL 30 HA VAL 30 17.610 -1.455 -2.195
246 HB VAL 30 HB VAL 30 16.512 -3.042 -4.533
247 HG11 VAL 30 HG11 VAL 30 15.735 -4.603 -2.800
248 HG12 VAL 30 HG12 VAL 30 16.539 -3.626 -1.573
249 HG13 VAL 30 HG13 VAL 30 17.492 -4.449 -2.807
250 HG21 VAL 30 HG21 VAL 30 15.028 -1.187 -3.976
251 HG22 VAL 30 HG22 VAL 30 15.030 -1.683 -2.285
252 HG23 VAL 30 HG23 VAL 30 14.313 -2.729 -3.509
253 H ASP 31 HN ASP 31 19.837 -0.840 -2.666
254 HA ASP 31 HA ASP 31 22.014 -1.501 -2.724
255 HB2 ASP 31 HB2 ASP 31 21.396 -3.798 -2.163
256 HB3 ASP 31 HB1 ASP 31 20.993 -4.121 -3.847
257 H GLY 32 HN GLY 32 19.939 -1.880 -5.477
258 HA2 GLY 32 HA2 GLY 32 20.328 -0.656 -7.482
259 HA3 GLY 32 HA1 GLY 32 22.053 -0.722 -7.150
260 H LYS 33 HN LYS 33 22.564 -3.289 -6.703
261 HA LYS 33 HA LYS 33 23.044 -5.266 -7.685
262 HB2 LYS 33 HB2 LYS 33 20.317 -4.942 -8.945
263 HB3 LYS 33 HB1 LYS 33 21.248 -6.432 -8.895
264 HG2 LYS 33 HG2 LYS 33 20.193 -4.941 -6.501
265 HG3 LYS 33 HG1 LYS 33 19.492 -6.400 -7.201
266 HD2 LYS 33 HD2 LYS 33 21.582 -7.611 -6.714
267 HD3 LYS 33 HD1 LYS 33 22.242 -6.148 -5.979
268 HE2 LYS 33 HE2 LYS 33 20.443 -6.171 -4.320
269 HE3 LYS 33 HE1 LYS 33 19.783 -7.630 -5.056
270 HZ1 LYS 33 HZ1 LYS 33 21.122 -8.122 -3.101
271 HZ2 LYS 33 HZ2 LYS 33 22.472 -7.405 -3.819
272 HZ3 LYS 33 HZ3 LYS 33 21.805 -8.803 -4.491
273 H LYS 34 HN LYS 34 23.485 -2.621 -9.094
274 HA LYS 34 HA LYS 34 24.022 -3.712 -11.756
275 HB2 LYS 34 HB2 LYS 34 23.129 -0.937 -10.975
276 HB3 LYS 34 HB1 LYS 34 23.755 -1.339 -12.563
277 HG2 LYS 34 HG2 LYS 34 21.921 -2.822 -12.982
278 HG3 LYS 34 HG1 LYS 34 21.342 -2.642 -11.326
279 HD2 LYS 34 HD2 LYS 34 21.545 -0.368 -13.295
280 HD3 LYS 34 HD1 LYS 34 20.078 -1.309 -13.029
281 HE2 LYS 34 HE2 LYS 34 20.109 -0.648 -10.658
282 HE3 LYS 34 HE1 LYS 34 21.545 0.324 -10.960
283 HZ1 LYS 34 HZ1 LYS 34 20.275 1.691 -12.477
284 HZ2 LYS 34 HZ2 LYS 34 19.528 1.660 -10.961
285 HZ3 LYS 34 HZ3 LYS 34 18.898 0.742 -12.233
286 H ARG 35 HN ARG 35 24.897 -1.085 -9.537
287 HA ARG 35 HA ARG 35 27.672 -1.788 -9.590
288 HB2 ARG 35 HB2 ARG 35 28.469 0.363 -10.505
289 HB3 ARG 35 HB1 ARG 35 27.592 -0.578 -11.704
290 HG2 ARG 35 HG2 ARG 35 25.830 0.879 -11.766
291 HG3 ARG 35 HG1 ARG 35 26.098 1.444 -10.114
292 HD2 ARG 35 HD2 ARG 35 27.904 2.055 -12.450
293 HD3 ARG 35 HD1 ARG 35 26.645 3.135 -11.851
294 HE ARG 35 HE ARG 35 28.053 2.756 -9.633
295 HH11 ARG 35 HH11 ARG 35 29.125 3.473 -12.885
296 HH12 ARG 35 HH12 ARG 35 30.572 4.277 -12.366
297 HH21 ARG 35 HH21 ARG 35 29.963 3.801 -8.942
298 HH22 ARG 35 HH22 ARG 35 31.052 4.462 -10.129
299 H GLN 36 HN GLN 36 28.936 0.062 -8.435
300 HA GLN 36 HA GLN 36 27.212 1.280 -6.385
301 HB2 GLN 36 HB2 GLN 36 30.112 0.436 -6.214
302 HB3 GLN 36 HB1 GLN 36 29.284 1.368 -4.975
303 HG2 GLN 36 HG2 GLN 36 27.696 -0.480 -4.672
304 HG3 GLN 36 HG1 GLN 36 28.578 -1.415 -5.878
305 HE21 GLN 36 HE21 GLN 36 28.066 -1.935 -3.043
306 HE22 GLN 36 HE22 GLN 36 29.620 -2.154 -2.320
Start of MODEL 13
1 H1 THR 1 HT1 THR 1 -21.377 -8.390 3.070
2 H2 THR 1 HT2 THR 1 -20.698 -7.959 1.585
3 H3 THR 1 HT3 THR 1 -22.228 -8.672 1.636
4 HA THR 1 HA THR 1 -23.108 -6.766 2.807
5 HB THR 1 HB THR 1 -21.668 -4.690 2.829
6 HG1 THR 1 HG1 THR 1 -20.013 -5.426 1.420
7 HG21 THR 1 HG21 THR 1 -20.742 -6.998 4.544
8 HG22 THR 1 HG22 THR 1 -22.132 -5.962 4.870
9 HG23 THR 1 HG23 THR 1 -20.503 -5.286 4.895
10 H TRP 2 HN TRP 2 -24.029 -5.050 1.607
11 HA TRP 2 HA TRP 2 -23.477 -5.212 -1.275
12 HB2 TRP 2 HB2 TRP 2 -25.743 -5.915 -0.457
13 HB3 TRP 2 HB1 TRP 2 -25.998 -4.261 0.087
14 HD1 TRP 2 HD1 TRP 2 -26.403 -2.406 -1.784
15 HE1 TRP 2 HE1 TRP 2 -27.152 -2.572 -4.241
16 HE3 TRP 2 HE3 TRP 2 -25.520 -7.372 -2.546
17 HZ2 TRP 2 HZ2 TRP 2 -27.335 -4.565 -6.243
18 HZ3 TRP 2 HZ3 TRP 2 -26.003 -8.334 -4.755
19 HH2 TRP 2 HH2 TRP 2 -26.892 -6.959 -6.564
20 H SER 3 HN SER 3 -23.804 -3.095 1.447
21 HA SER 3 HA SER 3 -23.294 -0.768 -0.274
22 HB2 SER 3 HB2 SER 3 -25.398 -0.755 1.090
23 HB3 SER 3 HB1 SER 3 -24.403 -0.781 2.542
24 HG SER 3 HG SER 3 -24.389 1.227 0.529
25 H GLY 4 HN GLY 4 -21.131 -2.285 0.181
26 HA2 GLY 4 HA2 GLY 4 -19.689 -1.124 2.453
27 HA3 GLY 4 HA1 GLY 4 -19.149 -2.474 1.465
28 H THR 5 HN THR 5 -20.321 0.708 0.456
29 HA THR 5 HA THR 5 -18.408 1.059 -1.550
30 HB THR 5 HB THR 5 -19.339 3.585 -0.476
31 HG1 THR 5 HG1 THR 5 -21.366 1.676 -1.107
32 HG21 THR 5 HG21 THR 5 -20.369 3.754 -2.699
33 HG22 THR 5 HG22 THR 5 -20.003 2.055 -2.994
34 HG23 THR 5 HG23 THR 5 -18.692 3.218 -2.805
35 H LYS 6 HN LYS 6 -18.596 2.475 1.702
36 HA LYS 6 HA LYS 6 -16.099 3.837 1.511
37 HB2 LYS 6 HB2 LYS 6 -17.714 3.062 3.949
38 HB3 LYS 6 HB1 LYS 6 -16.362 4.184 3.938
39 HG2 LYS 6 HG2 LYS 6 -17.594 5.726 2.552
40 HG3 LYS 6 HG1 LYS 6 -18.928 4.579 2.416
41 HD2 LYS 6 HD2 LYS 6 -19.419 6.312 4.069
42 HD3 LYS 6 HD1 LYS 6 -19.306 4.724 4.826
43 HE2 LYS 6 HE2 LYS 6 -16.987 5.244 5.493
44 HE3 LYS 6 HE1 LYS 6 -17.171 6.854 4.804
45 HZ1 LYS 6 HZ1 LYS 6 -17.515 6.848 7.194
46 HZ2 LYS 6 HZ2 LYS 6 -18.781 5.741 7.035
47 HZ3 LYS 6 HZ3 LYS 6 -18.931 7.295 6.387
48 H LYS 7 HN LYS 7 -17.173 0.753 2.798
49 HA LYS 7 HA LYS 7 -14.839 0.004 4.147
50 HB2 LYS 7 HB2 LYS 7 -16.895 -1.728 2.762
51 HB3 LYS 7 HB1 LYS 7 -15.671 -2.325 3.874
52 HG2 LYS 7 HG2 LYS 7 -17.833 -0.345 4.572
53 HG3 LYS 7 HG1 LYS 7 -17.870 -2.070 4.936
54 HD2 LYS 7 HD2 LYS 7 -15.891 -1.836 6.338
55 HD3 LYS 7 HD1 LYS 7 -15.787 -0.123 5.934
56 HE2 LYS 7 HE2 LYS 7 -16.796 -0.374 8.110
57 HE3 LYS 7 HE1 LYS 7 -17.999 0.224 6.970
58 HZ1 LYS 7 HZ1 LYS 7 -18.867 -2.031 6.773
59 HZ2 LYS 7 HZ2 LYS 7 -18.911 -1.500 8.376
60 HZ3 LYS 7 HZ3 LYS 7 -17.717 -2.588 7.880
61 H ARG 8 HN ARG 8 -15.858 -0.609 0.793
62 HA ARG 8 HA ARG 8 -13.505 -1.955 0.013
63 HB2 ARG 8 HB2 ARG 8 -15.484 -2.114 -1.350
64 HB3 ARG 8 HB1 ARG 8 -15.470 -0.376 -1.639
65 HG2 ARG 8 HG2 ARG 8 -13.541 -0.508 -2.975
66 HG3 ARG 8 HG1 ARG 8 -13.185 -2.149 -2.436
67 HD2 ARG 8 HD2 ARG 8 -15.155 -2.965 -3.577
68 HD3 ARG 8 HD1 ARG 8 -15.559 -1.328 -4.091
69 HE ARG 8 HE ARG 8 -13.129 -1.556 -5.111
70 HH11 ARG 8 HH11 ARG 8 -15.823 -3.787 -5.213
71 HH12 ARG 8 HH12 ARG 8 -15.300 -4.553 -6.680
72 HH21 ARG 8 HH21 ARG 8 -12.435 -2.552 -7.043
73 HH22 ARG 8 HH22 ARG 8 -13.362 -3.859 -7.713
74 H ALA 9 HN ALA 9 -14.442 1.461 -0.162
75 HA ALA 9 HA ALA 9 -12.258 2.418 -1.593
76 HB1 ALA 9 HB1 ALA 9 -13.757 3.851 0.592
77 HB2 ALA 9 HB2 ALA 9 -14.266 3.738 -1.092
78 HB3 ALA 9 HB3 ALA 9 -12.784 4.597 -0.675
79 H GLN 10 HN GLN 10 -12.614 1.915 1.895
80 HA GLN 10 HA GLN 10 -10.067 3.032 2.511
81 HB2 GLN 10 HB2 GLN 10 -11.935 1.307 4.133
82 HB3 GLN 10 HB1 GLN 10 -10.445 1.999 4.763
83 HG2 GLN 10 HG2 GLN 10 -12.844 3.498 3.737
84 HG3 GLN 10 HG1 GLN 10 -12.292 3.383 5.408
85 HE21 GLN 10 HE21 GLN 10 -10.456 4.524 6.048
86 HE22 GLN 10 HE22 GLN 10 -9.820 5.833 5.110
87 H ARG 11 HN ARG 11 -11.184 -0.222 1.757
88 HA ARG 11 HA ARG 11 -8.752 -1.454 2.624
89 HB2 ARG 11 HB2 ARG 11 -9.575 -3.483 1.795
90 HB3 ARG 11 HB1 ARG 11 -11.019 -2.619 2.294
91 HG2 ARG 11 HG2 ARG 11 -11.429 -1.984 -0.037
92 HG3 ARG 11 HG1 ARG 11 -9.995 -2.891 -0.521
93 HD2 ARG 11 HD2 ARG 11 -11.988 -4.215 -0.897
94 HD3 ARG 11 HD1 ARG 11 -11.010 -4.942 0.376
95 HE ARG 11 HE ARG 11 -12.629 -3.717 1.932
96 HH11 ARG 11 HH11 ARG 11 -13.522 -4.996 -1.207
97 HH12 ARG 11 HH12 ARG 11 -15.182 -5.245 -0.770
98 HH21 ARG 11 HH21 ARG 11 -14.803 -4.049 2.510
99 HH22 ARG 11 HH22 ARG 11 -15.919 -4.697 1.347
100 H ILE 12 HN ILE 12 -9.895 0.002 -0.345
101 HA ILE 12 HA ILE 12 -7.751 -0.831 -2.007
102 HB ILE 12 HB ILE 12 -9.411 1.694 -2.186
103 HG12 ILE 12 HG12 ILE 12 -10.798 -0.311 -2.295
104 HG13 ILE 12 HG11 ILE 12 -10.715 0.460 -3.874
105 HG21 ILE 12 HG21 ILE 12 -7.691 0.357 -4.270
106 HG22 ILE 12 HG22 ILE 12 -7.338 1.879 -3.452
107 HG23 ILE 12 HG23 ILE 12 -8.727 1.760 -4.534
108 HD11 ILE 12 HD11 ILE 12 -9.031 -1.195 -4.561
109 HD12 ILE 12 HD12 ILE 12 -10.570 -1.928 -4.106
110 HD13 ILE 12 HD13 ILE 12 -9.202 -1.986 -2.994
111 H LEU 13 HN LEU 13 -8.249 1.911 0.142
112 HA LEU 13 HA LEU 13 -5.874 3.281 -0.326
113 HB2 LEU 13 HB2 LEU 13 -7.676 4.257 0.960
114 HB3 LEU 13 HB1 LEU 13 -7.526 3.012 2.185
115 HG LEU 13 HG LEU 13 -5.273 3.899 2.754
116 HD11 LEU 13 HD11 LEU 13 -6.033 6.089 0.827
117 HD12 LEU 13 HD12 LEU 13 -4.695 4.951 0.659
118 HD13 LEU 13 HD13 LEU 13 -4.677 6.147 1.953
119 HD21 LEU 13 HD21 LEU 13 -6.093 5.880 3.923
120 HD22 LEU 13 HD22 LEU 13 -7.244 4.547 4.030
121 HD23 LEU 13 HD23 LEU 13 -7.538 5.880 2.915
122 H ILE 14 HN ILE 14 -6.613 0.608 1.870
123 HA ILE 14 HA ILE 14 -4.101 0.364 3.083
124 HB ILE 14 HB ILE 14 -6.004 -1.881 2.371
125 HG12 ILE 14 HG12 ILE 14 -5.791 -0.266 4.924
126 HG13 ILE 14 HG11 ILE 14 -7.059 -0.084 3.716
127 HG21 ILE 14 HG21 ILE 14 -3.788 -1.736 4.416
128 HG22 ILE 14 HG22 ILE 14 -3.797 -2.705 2.940
129 HG23 ILE 14 HG23 ILE 14 -4.933 -3.068 4.241
130 HD11 ILE 14 HD11 ILE 14 -7.857 -1.388 5.576
131 HD12 ILE 14 HD12 ILE 14 -6.521 -2.525 5.390
132 HD13 ILE 14 HD13 ILE 14 -7.755 -2.403 4.137
133 H PHE 15 HN PHE 15 -5.406 -1.163 0.161
134 HA PHE 15 HA PHE 15 -3.129 -2.661 -0.506
135 HB2 PHE 15 HB2 PHE 15 -5.203 -1.505 -2.384
136 HB3 PHE 15 HB1 PHE 15 -4.094 -2.815 -2.757
137 HD1 PHE 15 HD2 PHE 15 -4.513 -3.951 0.212
138 HD2 PHE 15 HD1 PHE 15 -7.069 -2.946 -3.041
139 HE1 PHE 15 HE2 PHE 15 -6.179 -5.556 1.030
140 HE2 PHE 15 HE1 PHE 15 -8.743 -4.554 -2.222
141 HZ PHE 15 HZ PHE 15 -8.298 -5.864 -0.187
142 H LEU 16 HN LEU 16 -4.145 0.589 -1.519
143 HA LEU 16 HA LEU 16 -1.994 0.980 -3.305
144 HB2 LEU 16 HB2 LEU 16 -2.874 3.050 -3.706
145 HB3 LEU 16 HB1 LEU 16 -4.272 2.218 -3.070
146 HG LEU 16 HG LEU 16 -3.639 3.300 -0.812
147 HD11 LEU 16 HD11 LEU 16 -1.401 4.041 -1.634
148 HD12 LEU 16 HD12 LEU 16 -2.378 5.328 -0.921
149 HD13 LEU 16 HD13 LEU 16 -2.227 5.201 -2.675
150 HD21 LEU 16 HD21 LEU 16 -4.922 5.280 -1.388
151 HD22 LEU 16 HD22 LEU 16 -5.600 3.863 -2.193
152 HD23 LEU 16 HD23 LEU 16 -4.613 5.006 -3.102
153 H LEU 17 HN LEU 17 -2.356 1.533 0.130
154 HA LEU 17 HA LEU 17 0.074 2.976 0.463
155 HB2 LEU 17 HB2 LEU 17 -1.700 3.083 2.113
156 HB3 LEU 17 HB1 LEU 17 -1.584 1.359 2.399
157 HG LEU 17 HG LEU 17 0.665 1.665 3.337
158 HD11 LEU 17 HD11 LEU 17 1.489 3.916 3.813
159 HD12 LEU 17 HD12 LEU 17 0.127 4.600 2.924
160 HD13 LEU 17 HD13 LEU 17 1.336 3.631 2.079
161 HD21 LEU 17 HD21 LEU 17 -1.445 3.429 4.570
162 HD22 LEU 17 HD22 LEU 17 -0.027 2.781 5.398
163 HD23 LEU 17 HD23 LEU 17 -1.277 1.689 4.801
164 H GLU 18 HN GLU 18 -0.817 -0.397 1.143
165 HA GLU 18 HA GLU 18 1.641 -1.414 1.870
166 HB2 GLU 18 HB2 GLU 18 -0.623 -2.688 0.337
167 HB3 GLU 18 HB1 GLU 18 0.780 -3.593 0.884
168 HG2 GLU 18 HG2 GLU 18 -1.051 -2.047 2.699
169 HG3 GLU 18 HG1 GLU 18 -1.190 -3.775 2.370
170 H PHE 19 HN PHE 19 0.343 -0.906 -1.361
171 HA PHE 19 HA PHE 19 2.273 -2.198 -2.877
172 HB2 PHE 19 HB2 PHE 19 0.141 -1.226 -3.745
173 HB3 PHE 19 HB1 PHE 19 0.851 0.377 -3.593
174 HD1 PHE 19 HD1 PHE 19 2.722 1.044 -5.057
175 HD2 PHE 19 HD2 PHE 19 0.697 -2.664 -5.551
176 HE1 PHE 19 HE1 PHE 19 3.669 0.838 -7.313
177 HE2 PHE 19 HE2 PHE 19 1.641 -2.880 -7.812
178 HZ PHE 19 HZ PHE 19 3.128 -1.129 -8.695
179 H LEU 20 HN LEU 20 2.235 1.160 -1.690
180 HA LEU 20 HA LEU 20 4.730 1.793 -2.921
181 HB2 LEU 20 HB2 LEU 20 2.883 3.198 -1.063
182 HB3 LEU 20 HB1 LEU 20 4.541 3.760 -1.151
183 HG LEU 20 HG LEU 20 3.205 5.092 -2.631
184 HD11 LEU 20 HD11 LEU 20 5.476 4.440 -3.388
185 HD12 LEU 20 HD12 LEU 20 4.364 4.810 -4.707
186 HD13 LEU 20 HD13 LEU 20 4.745 3.132 -4.324
187 HD21 LEU 20 HD21 LEU 20 2.006 4.072 -4.539
188 HD22 LEU 20 HD22 LEU 20 1.325 3.649 -2.967
189 HD23 LEU 20 HD23 LEU 20 2.320 2.485 -3.838
190 H LEU 21 HN LEU 21 3.765 0.797 0.328
191 HA LEU 21 HA LEU 21 6.254 1.219 1.578
192 HB2 LEU 21 HB2 LEU 21 4.255 -0.958 2.199
193 HB3 LEU 21 HB1 LEU 21 5.478 -0.320 3.283
194 HG LEU 21 HG LEU 21 3.113 1.207 2.215
195 HD11 LEU 21 HD11 LEU 21 3.672 0.065 4.945
196 HD12 LEU 21 HD12 LEU 21 2.425 -0.462 3.815
197 HD13 LEU 21 HD13 LEU 21 2.331 1.138 4.548
198 HD21 LEU 21 HD21 LEU 21 3.791 2.937 3.821
199 HD22 LEU 21 HD22 LEU 21 5.018 2.664 2.584
200 HD23 LEU 21 HD23 LEU 21 5.237 2.002 4.204
201 H ASP 22 HN ASP 22 4.892 -1.570 -0.084
202 HA ASP 22 HA ASP 22 7.172 -3.245 0.179
203 HB2 ASP 22 HB2 ASP 22 5.004 -4.191 -0.327
204 HB3 ASP 22 HB1 ASP 22 4.898 -3.259 -1.814
205 H PHE 23 HN PHE 23 6.154 -0.886 -2.204
206 HA PHE 23 HA PHE 23 8.114 -1.462 -4.166
207 HB2 PHE 23 HB2 PHE 23 5.992 -0.176 -4.535
208 HB3 PHE 23 HB1 PHE 23 6.705 1.167 -3.653
209 HD1 PHE 23 HD2 PHE 23 6.758 -0.765 -6.758
210 HD2 PHE 23 HD1 PHE 23 8.416 2.545 -4.656
211 HE1 PHE 23 HE2 PHE 23 7.723 0.080 -8.857
212 HE2 PHE 23 HE1 PHE 23 9.383 3.396 -6.753
213 HZ PHE 23 HZ PHE 23 9.038 2.163 -8.855
214 H CYS 24 HN CYS 24 8.048 0.683 -1.373
215 HA CYS 24 HA CYS 24 10.617 1.859 -2.078
216 HB2 CYS 24 HB2 CYS 24 8.853 2.366 0.317
217 HB3 CYS 24 HB1 CYS 24 10.232 3.335 -0.186
218 HG CYS 24 HG CYS 24 7.249 3.024 -1.829
219 H THR 25 HN THR 25 10.727 -0.880 -1.532
220 HA THR 25 HA THR 25 11.818 -1.179 1.133
221 HB THR 25 HB THR 25 12.454 -3.510 0.107
222 HG1 THR 25 HG1 THR 25 10.248 -3.004 -1.564
223 HG21 THR 25 HG21 THR 25 10.211 -4.348 0.643
224 HG22 THR 25 HG22 THR 25 9.586 -2.699 0.606
225 HG23 THR 25 HG23 THR 25 10.758 -3.170 1.837
226 H GLY 26 HN GLY 26 12.972 -1.115 -2.203
227 HA2 GLY 26 HA2 GLY 26 15.702 -0.746 -1.140
228 HA3 GLY 26 HA1 GLY 26 15.359 -1.563 -2.661
229 H GLU 27 HN GLU 27 17.086 0.672 -2.336
230 HA GLU 27 HA GLU 27 15.837 3.078 -3.150
231 HB2 GLU 27 HB2 GLU 27 18.153 3.745 -3.843
232 HB3 GLU 27 HB1 GLU 27 18.025 3.181 -2.184
233 HG2 GLU 27 HG2 GLU 27 18.871 0.982 -2.885
234 HG3 GLU 27 HG1 GLU 27 19.047 1.595 -4.528
235 H ASP 28 HN ASP 28 16.996 0.276 -4.856
236 HA ASP 28 HA ASP 28 15.751 1.308 -7.288
237 HB2 ASP 28 HB2 ASP 28 18.154 1.778 -7.537
238 HB3 ASP 28 HB1 ASP 28 18.516 0.085 -7.225
239 H SER 29 HN SER 29 14.308 -0.275 -5.983
240 HA SER 29 HA SER 29 14.721 -3.056 -6.385
241 HB2 SER 29 HB2 SER 29 12.097 -1.579 -6.042
242 HB3 SER 29 HB1 SER 29 12.392 -3.292 -5.740
243 HG SER 29 HG SER 29 13.774 -2.703 -4.042
244 H VAL 30 HN VAL 30 13.519 -4.414 -7.909
245 HA VAL 30 HA VAL 30 12.990 -2.985 -10.433
246 HB VAL 30 HB VAL 30 13.782 -5.890 -10.262
247 HG11 VAL 30 HG11 VAL 30 12.721 -5.174 -12.334
248 HG12 VAL 30 HG12 VAL 30 14.421 -5.551 -12.604
249 HG13 VAL 30 HG13 VAL 30 13.897 -3.871 -12.502
250 HG21 VAL 30 HG21 VAL 30 15.573 -4.595 -9.232
251 HG22 VAL 30 HG22 VAL 30 15.619 -3.527 -10.635
252 HG23 VAL 30 HG23 VAL 30 16.075 -5.222 -10.802
253 H ASP 31 HN ASP 31 10.894 -2.877 -9.012
254 HA ASP 31 HA ASP 31 9.227 -5.248 -9.408
255 HB2 ASP 31 HB2 ASP 31 9.228 -4.067 -7.195
256 HB3 ASP 31 HB1 ASP 31 8.543 -2.656 -7.996
257 H GLY 32 HN GLY 32 8.873 -5.190 -11.626
258 HA2 GLY 32 HA2 GLY 32 7.759 -2.718 -12.752
259 HA3 GLY 32 HA1 GLY 32 8.394 -4.072 -13.671
260 H LYS 33 HN LYS 33 5.803 -3.437 -11.301
261 HA LYS 33 HA LYS 33 4.144 -5.423 -12.647
262 HB2 LYS 33 HB2 LYS 33 4.033 -4.026 -10.009
263 HB3 LYS 33 HB1 LYS 33 2.557 -4.700 -10.678
264 HG2 LYS 33 HG2 LYS 33 3.619 -6.232 -9.120
265 HG3 LYS 33 HG1 LYS 33 3.570 -6.905 -10.746
266 HD2 LYS 33 HD2 LYS 33 5.885 -6.463 -11.080
267 HD3 LYS 33 HD1 LYS 33 5.974 -5.503 -9.601
268 HE2 LYS 33 HE2 LYS 33 5.331 -8.447 -9.696
269 HE3 LYS 33 HE1 LYS 33 6.933 -7.785 -9.371
270 HZ1 LYS 33 HZ1 LYS 33 6.003 -6.638 -7.437
271 HZ2 LYS 33 HZ2 LYS 33 5.821 -8.319 -7.318
272 HZ3 LYS 33 HZ3 LYS 33 4.494 -7.354 -7.731
273 H LYS 34 HN LYS 34 4.573 -2.046 -12.622
274 HA LYS 34 HA LYS 34 1.857 -1.608 -13.606
275 HB2 LYS 34 HB2 LYS 34 3.920 0.368 -12.621
276 HB3 LYS 34 HB1 LYS 34 2.326 0.794 -13.218
277 HG2 LYS 34 HG2 LYS 34 1.309 -0.513 -11.407
278 HG3 LYS 34 HG1 LYS 34 2.918 -0.890 -10.797
279 HD2 LYS 34 HD2 LYS 34 2.009 0.920 -9.507
280 HD3 LYS 34 HD1 LYS 34 3.317 1.547 -10.510
281 HE2 LYS 34 HE2 LYS 34 1.734 2.462 -12.080
282 HE3 LYS 34 HE1 LYS 34 0.392 1.716 -11.217
283 HZ1 LYS 34 HZ1 LYS 34 0.897 3.107 -9.307
284 HZ2 LYS 34 HZ2 LYS 34 0.592 4.052 -10.673
285 HZ3 LYS 34 HZ3 LYS 34 2.183 3.826 -10.142
286 H ARG 35 HN ARG 35 1.480 -0.554 -15.541
287 HA ARG 35 HA ARG 35 1.762 -0.123 -17.744
288 HB2 ARG 35 HB2 ARG 35 3.127 1.738 -16.826
289 HB3 ARG 35 HB1 ARG 35 4.551 0.714 -16.920
290 HG2 ARG 35 HG2 ARG 35 4.440 2.286 -18.782
291 HG3 ARG 35 HG1 ARG 35 4.353 0.615 -19.339
292 HD2 ARG 35 HD2 ARG 35 2.754 2.051 -20.514
293 HD3 ARG 35 HD1 ARG 35 1.945 0.797 -19.579
294 HE ARG 35 HE ARG 35 2.243 3.431 -18.354
295 HH11 ARG 35 HH11 ARG 35 0.174 1.079 -19.924
296 HH12 ARG 35 HH12 ARG 35 -1.296 1.840 -19.407
297 HH21 ARG 35 HH21 ARG 35 0.299 4.443 -17.684
298 HH22 ARG 35 HH22 ARG 35 -1.226 3.749 -18.141
299 H GLN 36 HN GLN 36 1.605 -2.469 -18.000
300 HA GLN 36 HA GLN 36 4.129 -3.743 -18.753
301 HB2 GLN 36 HB2 GLN 36 3.025 -5.871 -18.560
302 HB3 GLN 36 HB1 GLN 36 2.705 -4.942 -17.110
303 HG2 GLN 36 HG2 GLN 36 0.781 -5.314 -19.396
304 HG3 GLN 36 HG1 GLN 36 0.764 -6.227 -17.892
305 HE21 GLN 36 HE21 GLN 36 0.047 -3.227 -19.435
306 HE22 GLN 36 HE22 GLN 36 -0.850 -2.527 -18.127
Start of MODEL 14
1 H1 THR 1 HT1 THR 1 -21.794 -4.027 -4.127
2 H2 THR 1 HT2 THR 1 -22.760 -4.564 -2.851
3 H3 THR 1 HT3 THR 1 -21.194 -5.171 -3.041
4 HA THR 1 HA THR 1 -21.326 -3.557 -1.248
5 HB THR 1 HB THR 1 -19.738 -2.508 -3.599
6 HG1 THR 1 HG1 THR 1 -18.216 -4.067 -2.163
7 HG21 THR 1 HG21 THR 1 -18.144 -1.816 -1.873
8 HG22 THR 1 HG22 THR 1 -19.215 -2.447 -0.624
9 HG23 THR 1 HG23 THR 1 -19.722 -1.077 -1.610
10 H TRP 2 HN TRP 2 -23.164 -2.383 -0.836
11 HA TRP 2 HA TRP 2 -23.618 -0.036 -2.555
12 HB2 TRP 2 HB2 TRP 2 -25.383 -1.844 -2.656
13 HB3 TRP 2 HB1 TRP 2 -25.743 -1.475 -0.976
14 HD1 TRP 2 HD1 TRP 2 -26.251 -0.171 -4.501
15 HE1 TRP 2 HE1 TRP 2 -27.904 1.806 -4.442
16 HE3 TRP 2 HE3 TRP 2 -26.533 0.478 0.551
17 HZ2 TRP 2 HZ2 TRP 2 -29.159 3.419 -2.496
18 HZ3 TRP 2 HZ3 TRP 2 -27.981 2.259 1.436
19 HH2 TRP 2 HH2 TRP 2 -29.265 3.699 -0.057
20 H SER 3 HN SER 3 -23.951 -1.311 0.711
21 HA SER 3 HA SER 3 -24.382 1.302 1.834
22 HB2 SER 3 HB2 SER 3 -25.426 -0.713 2.817
23 HB3 SER 3 HB1 SER 3 -23.828 -1.334 3.218
24 HG SER 3 HG SER 3 -24.607 1.212 4.128
25 H GLY 4 HN GLY 4 -21.748 -1.092 1.911
26 HA2 GLY 4 HA2 GLY 4 -20.048 0.786 3.345
27 HA3 GLY 4 HA1 GLY 4 -19.660 -0.881 2.955
28 H THR 5 HN THR 5 -20.535 1.985 1.028
29 HA THR 5 HA THR 5 -18.813 1.270 -1.107
30 HB THR 5 HB THR 5 -19.249 3.761 -1.742
31 HG1 THR 5 HG1 THR 5 -20.607 4.831 -0.486
32 HG21 THR 5 HG21 THR 5 -21.464 3.164 -2.600
33 HG22 THR 5 HG22 THR 5 -21.517 1.778 -1.510
34 HG23 THR 5 HG23 THR 5 -20.326 1.833 -2.809
35 H LYS 6 HN LYS 6 -18.595 3.766 1.414
36 HA LYS 6 HA LYS 6 -15.992 4.624 0.641
37 HB2 LYS 6 HB2 LYS 6 -17.409 4.961 3.290
38 HB3 LYS 6 HB1 LYS 6 -15.956 5.814 2.798
39 HG2 LYS 6 HG2 LYS 6 -17.228 6.819 0.932
40 HG3 LYS 6 HG1 LYS 6 -18.684 6.039 1.552
41 HD2 LYS 6 HD2 LYS 6 -18.412 7.240 3.672
42 HD3 LYS 6 HD1 LYS 6 -16.969 8.030 3.033
43 HE2 LYS 6 HE2 LYS 6 -18.343 9.022 1.244
44 HE3 LYS 6 HE1 LYS 6 -19.773 8.281 1.958
45 HZ1 LYS 6 HZ1 LYS 6 -18.029 10.323 3.218
46 HZ2 LYS 6 HZ2 LYS 6 -19.316 9.550 3.996
47 HZ3 LYS 6 HZ3 LYS 6 -19.611 10.548 2.664
48 H LYS 7 HN LYS 7 -17.252 2.194 2.801
49 HA LYS 7 HA LYS 7 -14.861 1.570 4.160
50 HB2 LYS 7 HB2 LYS 7 -17.128 -0.309 3.468
51 HB3 LYS 7 HB1 LYS 7 -15.933 -0.534 4.736
52 HG2 LYS 7 HG2 LYS 7 -16.799 1.461 5.879
53 HG3 LYS 7 HG1 LYS 7 -18.029 1.622 4.629
54 HD2 LYS 7 HD2 LYS 7 -19.069 0.526 6.451
55 HD3 LYS 7 HD1 LYS 7 -18.773 -0.714 5.231
56 HE2 LYS 7 HE2 LYS 7 -18.177 -1.596 7.379
57 HE3 LYS 7 HE1 LYS 7 -16.701 -1.338 6.451
58 HZ1 LYS 7 HZ1 LYS 7 -16.417 -0.574 8.701
59 HZ2 LYS 7 HZ2 LYS 7 -17.767 0.433 8.579
60 HZ3 LYS 7 HZ3 LYS 7 -16.387 0.756 7.657
61 H ARG 8 HN ARG 8 -16.218 0.546 1.091
62 HA ARG 8 HA ARG 8 -14.194 -1.387 0.536
63 HB2 ARG 8 HB2 ARG 8 -16.567 -1.178 -0.472
64 HB3 ARG 8 HB1 ARG 8 -15.866 0.033 -1.533
65 HG2 ARG 8 HG2 ARG 8 -14.709 -2.725 -1.330
66 HG3 ARG 8 HG1 ARG 8 -16.069 -2.368 -2.391
67 HD2 ARG 8 HD2 ARG 8 -13.387 -0.991 -2.470
68 HD3 ARG 8 HD1 ARG 8 -13.899 -2.283 -3.554
69 HE ARG 8 HE ARG 8 -15.608 0.062 -3.485
70 HH11 ARG 8 HH11 ARG 8 -12.984 -1.620 -5.069
71 HH12 ARG 8 HH12 ARG 8 -13.152 -0.751 -6.558
72 HH21 ARG 8 HH21 ARG 8 -15.824 1.231 -5.436
73 HH22 ARG 8 HH22 ARG 8 -14.764 0.884 -6.762
74 H ALA 9 HN ALA 9 -14.622 2.039 -0.041
75 HA ALA 9 HA ALA 9 -12.493 2.350 -1.893
76 HB1 ALA 9 HB1 ALA 9 -14.308 3.984 -1.663
77 HB2 ALA 9 HB2 ALA 9 -12.724 4.732 -1.476
78 HB3 ALA 9 HB3 ALA 9 -13.717 4.405 -0.056
79 H GLN 10 HN GLN 10 -12.721 2.684 1.626
80 HA GLN 10 HA GLN 10 -10.055 3.639 1.944
81 HB2 GLN 10 HB2 GLN 10 -10.417 3.339 4.327
82 HB3 GLN 10 HB1 GLN 10 -11.822 4.095 3.591
83 HG2 GLN 10 HG2 GLN 10 -13.005 1.991 3.616
84 HG3 GLN 10 HG1 GLN 10 -11.588 1.176 4.270
85 HE21 GLN 10 HE21 GLN 10 -12.650 0.491 6.099
86 HE22 GLN 10 HE22 GLN 10 -13.116 1.570 7.370
87 H ARG 11 HN ARG 11 -11.480 0.467 1.778
88 HA ARG 11 HA ARG 11 -9.232 -0.861 2.949
89 HB2 ARG 11 HB2 ARG 11 -10.320 -2.885 2.512
90 HB3 ARG 11 HB1 ARG 11 -11.628 -1.753 2.809
91 HG2 ARG 11 HG2 ARG 11 -11.900 -1.520 0.349
92 HG3 ARG 11 HG1 ARG 11 -10.701 -2.801 0.148
93 HD2 ARG 11 HD2 ARG 11 -13.336 -3.024 1.596
94 HD3 ARG 11 HD1 ARG 11 -12.954 -3.710 0.018
95 HE ARG 11 HE ARG 11 -11.087 -4.843 1.567
96 HH11 ARG 11 HH11 ARG 11 -14.533 -4.451 2.042
97 HH12 ARG 11 HH12 ARG 11 -14.706 -5.919 2.951
98 HH21 ARG 11 HH21 ARG 11 -11.307 -6.775 2.767
99 HH22 ARG 11 HH22 ARG 11 -12.868 -7.237 3.373
100 H ILE 12 HN ILE 12 -9.988 0.358 -0.180
101 HA ILE 12 HA ILE 12 -8.084 -1.161 -1.663
102 HB ILE 12 HB ILE 12 -9.122 1.627 -2.225
103 HG12 ILE 12 HG12 ILE 12 -10.073 -1.037 -3.297
104 HG13 ILE 12 HG11 ILE 12 -10.900 -0.101 -2.056
105 HG21 ILE 12 HG21 ILE 12 -8.467 1.158 -4.552
106 HG22 ILE 12 HG22 ILE 12 -7.758 -0.371 -4.031
107 HG23 ILE 12 HG23 ILE 12 -7.082 1.155 -3.458
108 HD11 ILE 12 HD11 ILE 12 -10.405 0.774 -4.890
109 HD12 ILE 12 HD12 ILE 12 -11.237 1.711 -3.651
110 HD13 ILE 12 HD13 ILE 12 -11.934 0.198 -4.230
111 H LEU 13 HN LEU 13 -7.993 1.718 0.297
112 HA LEU 13 HA LEU 13 -5.479 2.713 -0.341
113 HB2 LEU 13 HB2 LEU 13 -7.268 3.775 1.101
114 HB3 LEU 13 HB1 LEU 13 -6.756 2.716 2.396
115 HG LEU 13 HG LEU 13 -4.835 4.646 1.105
116 HD11 LEU 13 HD11 LEU 13 -5.365 6.227 2.882
117 HD12 LEU 13 HD12 LEU 13 -6.645 5.162 3.462
118 HD13 LEU 13 HD13 LEU 13 -6.778 5.917 1.874
119 HD21 LEU 13 HD21 LEU 13 -3.871 2.888 2.510
120 HD22 LEU 13 HD22 LEU 13 -4.936 3.356 3.834
121 HD23 LEU 13 HD23 LEU 13 -3.696 4.472 3.266
122 H ILE 14 HN ILE 14 -6.482 0.124 1.797
123 HA ILE 14 HA ILE 14 -4.090 -0.448 3.093
124 HB ILE 14 HB ILE 14 -6.220 -2.374 2.139
125 HG12 ILE 14 HG12 ILE 14 -5.834 -1.011 4.815
126 HG13 ILE 14 HG11 ILE 14 -7.047 -0.575 3.616
127 HG21 ILE 14 HG21 ILE 14 -5.383 -3.896 3.850
128 HG22 ILE 14 HG22 ILE 14 -4.100 -2.755 4.248
129 HG23 ILE 14 HG23 ILE 14 -4.131 -3.528 2.664
130 HD11 ILE 14 HD11 ILE 14 -8.074 -2.777 3.867
131 HD12 ILE 14 HD12 ILE 14 -8.015 -1.897 5.396
132 HD13 ILE 14 HD13 ILE 14 -6.865 -3.196 5.079
133 H PHE 15 HN PHE 15 -5.315 -1.652 -0.012
134 HA PHE 15 HA PHE 15 -3.079 -3.313 -0.540
135 HB2 PHE 15 HB2 PHE 15 -5.216 -2.198 -2.358
136 HB3 PHE 15 HB1 PHE 15 -4.004 -3.366 -2.870
137 HD1 PHE 15 HD1 PHE 15 -4.078 -5.665 -2.073
138 HD2 PHE 15 HD2 PHE 15 -7.030 -2.829 -0.918
139 HE1 PHE 15 HE1 PHE 15 -5.522 -7.494 -1.286
140 HE2 PHE 15 HE2 PHE 15 -8.477 -4.649 -0.127
141 HZ PHE 15 HZ PHE 15 -7.727 -6.989 -0.312
142 H LEU 16 HN LEU 16 -3.911 0.001 -1.457
143 HA LEU 16 HA LEU 16 -1.675 0.317 -3.188
144 HB2 LEU 16 HB2 LEU 16 -2.396 2.460 -3.556
145 HB3 LEU 16 HB1 LEU 16 -3.882 1.683 -3.065
146 HG LEU 16 HG LEU 16 -3.331 2.630 -0.709
147 HD11 LEU 16 HD11 LEU 16 -1.753 4.543 -2.417
148 HD12 LEU 16 HD12 LEU 16 -1.027 3.307 -1.391
149 HD13 LEU 16 HD13 LEU 16 -1.986 4.605 -0.668
150 HD21 LEU 16 HD21 LEU 16 -4.520 4.663 -1.244
151 HD22 LEU 16 HD22 LEU 16 -5.190 3.330 -2.187
152 HD23 LEU 16 HD23 LEU 16 -4.107 4.494 -2.948
153 H LEU 17 HN LEU 17 -2.225 0.830 0.229
154 HA LEU 17 HA LEU 17 0.181 2.151 0.835
155 HB2 LEU 17 HB2 LEU 17 -1.644 2.058 2.415
156 HB3 LEU 17 HB1 LEU 17 -1.549 0.310 2.484
157 HG LEU 17 HG LEU 17 0.681 0.491 3.530
158 HD11 LEU 17 HD11 LEU 17 1.433 2.659 4.375
159 HD12 LEU 17 HD12 LEU 17 0.095 3.447 3.540
160 HD13 LEU 17 HD13 LEU 17 1.359 2.637 2.614
161 HD21 LEU 17 HD21 LEU 17 -1.294 0.247 4.908
162 HD22 LEU 17 HD22 LEU 17 -1.533 1.991 4.911
163 HD23 LEU 17 HD23 LEU 17 -0.120 1.294 5.704
164 H GLU 18 HN GLU 18 -0.675 -1.288 1.073
165 HA GLU 18 HA GLU 18 1.838 -2.274 1.750
166 HB2 GLU 18 HB2 GLU 18 -0.344 -3.578 0.118
167 HB3 GLU 18 HB1 GLU 18 1.041 -4.427 0.790
168 HG2 GLU 18 HG2 GLU 18 -1.091 -2.998 2.360
169 HG3 GLU 18 HG1 GLU 18 -0.941 -4.742 2.156
170 H PHE 19 HN PHE 19 0.515 -1.380 -1.375
171 HA PHE 19 HA PHE 19 2.604 -2.470 -2.947
172 HB2 PHE 19 HB2 PHE 19 0.423 -1.812 -3.897
173 HB3 PHE 19 HB1 PHE 19 0.791 -0.124 -3.560
174 HD1 PHE 19 HD2 PHE 19 1.979 -3.070 -5.477
175 HD2 PHE 19 HD1 PHE 19 1.935 1.167 -5.122
176 HE1 PHE 19 HE2 PHE 19 3.077 -2.878 -7.669
177 HE2 PHE 19 HE1 PHE 19 3.034 1.366 -7.312
178 HZ PHE 19 HZ PHE 19 3.605 -0.659 -8.587
179 H LEU 20 HN LEU 20 2.003 0.856 -1.782
180 HA LEU 20 HA LEU 20 4.296 2.029 -2.839
181 HB2 LEU 20 HB2 LEU 20 2.397 2.674 -0.664
182 HB3 LEU 20 HB1 LEU 20 3.929 3.524 -0.644
183 HG LEU 20 HG LEU 20 3.500 4.546 -2.751
184 HD11 LEU 20 HD11 LEU 20 1.076 2.766 -2.961
185 HD12 LEU 20 HD12 LEU 20 2.537 2.670 -3.944
186 HD13 LEU 20 HD13 LEU 20 1.483 4.077 -4.069
187 HD21 LEU 20 HD21 LEU 20 0.990 4.526 -1.094
188 HD22 LEU 20 HD22 LEU 20 1.405 5.737 -2.310
189 HD23 LEU 20 HD23 LEU 20 2.390 5.571 -0.855
190 H LEU 21 HN LEU 21 3.839 0.610 0.411
191 HA LEU 21 HA LEU 21 6.426 1.372 1.278
192 HB2 LEU 21 HB2 LEU 21 6.016 -0.110 3.207
193 HB3 LEU 21 HB1 LEU 21 4.739 1.052 2.920
194 HG LEU 21 HG LEU 21 3.586 -0.921 1.667
195 HD11 LEU 21 HD11 LEU 21 4.089 -3.111 2.631
196 HD12 LEU 21 HD12 LEU 21 5.459 -2.416 3.495
197 HD13 LEU 21 HD13 LEU 21 5.464 -2.468 1.732
198 HD21 LEU 21 HD21 LEU 21 2.511 -1.596 3.754
199 HD22 LEU 21 HD22 LEU 21 2.742 0.151 3.683
200 HD23 LEU 21 HD23 LEU 21 3.816 -0.841 4.669
201 H ASP 22 HN ASP 22 5.386 -1.182 -0.695
202 HA ASP 22 HA ASP 22 7.798 -2.753 -0.145
203 HB2 ASP 22 HB2 ASP 22 5.716 -4.016 -0.282
204 HB3 ASP 22 HB1 ASP 22 5.405 -3.369 -1.888
205 H PHE 23 HN PHE 23 6.114 -1.127 -2.785
206 HA PHE 23 HA PHE 23 8.026 -1.702 -4.787
207 HB2 PHE 23 HB2 PHE 23 5.690 -1.042 -5.253
208 HB3 PHE 23 HB1 PHE 23 6.030 0.568 -4.631
209 HD1 PHE 23 HD1 PHE 23 6.700 -1.796 -7.366
210 HD2 PHE 23 HD2 PHE 23 7.143 2.195 -5.961
211 HE1 PHE 23 HE1 PHE 23 7.373 -1.080 -9.620
212 HE2 PHE 23 HE2 PHE 23 7.821 2.916 -8.213
213 HZ PHE 23 HZ PHE 23 7.932 1.278 -10.046
214 H CYS 24 HN CYS 24 7.712 0.904 -2.453
215 HA CYS 24 HA CYS 24 9.845 2.403 -3.755
216 HB2 CYS 24 HB2 CYS 24 7.708 3.453 -2.885
217 HB3 CYS 24 HB1 CYS 24 8.335 3.173 -1.267
218 HG CYS 24 HG CYS 24 10.771 4.673 -2.076
219 H THR 25 HN THR 25 10.105 -0.186 -2.055
220 HA THR 25 HA THR 25 11.762 0.486 0.142
221 HB THR 25 HB THR 25 12.696 -1.851 -0.163
222 HG1 THR 25 HG1 THR 25 10.606 -2.388 -1.957
223 HG21 THR 25 HG21 THR 25 10.845 -1.435 1.349
224 HG22 THR 25 HG22 THR 25 10.602 -2.966 0.508
225 HG23 THR 25 HG23 THR 25 9.700 -1.534 0.012
226 H GLY 26 HN GLY 26 12.372 -0.133 -3.265
227 HA2 GLY 26 HA2 GLY 26 15.202 0.313 -3.067
228 HA3 GLY 26 HA1 GLY 26 14.257 0.206 -4.547
229 H GLU 27 HN GLU 27 14.962 2.318 -1.816
230 HA GLU 27 HA GLU 27 13.804 4.651 -2.945
231 HB2 GLU 27 HB2 GLU 27 14.989 5.822 -1.109
232 HB3 GLU 27 HB1 GLU 27 14.048 4.440 -0.574
233 HG2 GLU 27 HG2 GLU 27 16.079 3.091 -0.463
234 HG3 GLU 27 HG1 GLU 27 17.025 4.489 -0.974
235 H ASP 28 HN ASP 28 16.606 3.012 -3.671
236 HA ASP 28 HA ASP 28 18.263 5.086 -4.625
237 HB2 ASP 28 HB2 ASP 28 19.038 2.761 -4.473
238 HB3 ASP 28 HB1 ASP 28 17.873 2.281 -5.703
239 H SER 29 HN SER 29 15.355 3.624 -5.795
240 HA SER 29 HA SER 29 15.335 5.483 -8.079
241 HB2 SER 29 HB2 SER 29 14.118 2.707 -7.967
242 HB3 SER 29 HB1 SER 29 14.064 3.808 -9.342
243 HG SER 29 HG SER 29 16.604 3.411 -8.469
244 H VAL 30 HN VAL 30 12.675 4.978 -8.814
245 HA VAL 30 HA VAL 30 10.504 5.380 -8.364
246 HB VAL 30 HB VAL 30 11.251 4.789 -5.503
247 HG11 VAL 30 HG11 VAL 30 9.159 6.024 -5.625
248 HG12 VAL 30 HG12 VAL 30 8.849 4.344 -5.186
249 HG13 VAL 30 HG13 VAL 30 8.543 4.897 -6.833
250 HG21 VAL 30 HG21 VAL 30 10.109 3.008 -7.651
251 HG22 VAL 30 HG22 VAL 30 10.324 2.557 -5.960
252 HG23 VAL 30 HG23 VAL 30 11.730 2.916 -6.962
253 H ASP 31 HN ASP 31 10.385 7.474 -8.931
254 HA ASP 31 HA ASP 31 11.191 9.609 -7.168
255 HB2 ASP 31 HB2 ASP 31 9.774 9.559 -9.832
256 HB3 ASP 31 HB1 ASP 31 9.999 11.049 -8.925
257 H GLY 32 HN GLY 32 8.878 7.562 -6.690
258 HA2 GLY 32 HA2 GLY 32 6.556 9.176 -6.325
259 HA3 GLY 32 HA1 GLY 32 6.833 7.583 -5.633
260 H LYS 33 HN LYS 33 9.432 8.691 -4.524
261 HA LYS 33 HA LYS 33 10.279 9.754 -2.739
262 HB2 LYS 33 HB2 LYS 33 7.703 11.317 -2.846
263 HB3 LYS 33 HB1 LYS 33 8.985 11.636 -1.684
264 HG2 LYS 33 HG2 LYS 33 10.537 12.036 -3.565
265 HG3 LYS 33 HG1 LYS 33 9.191 11.814 -4.682
266 HD2 LYS 33 HD2 LYS 33 9.277 13.902 -2.510
267 HD3 LYS 33 HD1 LYS 33 9.725 14.196 -4.189
268 HE2 LYS 33 HE2 LYS 33 7.450 13.518 -4.873
269 HE3 LYS 33 HE1 LYS 33 7.021 13.331 -3.174
270 HZ1 LYS 33 HZ1 LYS 33 7.907 15.858 -4.458
271 HZ2 LYS 33 HZ2 LYS 33 7.477 15.672 -2.833
272 HZ3 LYS 33 HZ3 LYS 33 6.315 15.471 -4.040
273 H LYS 34 HN LYS 34 10.442 8.047 -1.488
274 HA LYS 34 HA LYS 34 8.524 6.649 -0.104
275 HB2 LYS 34 HB2 LYS 34 10.325 6.038 1.494
276 HB3 LYS 34 HB1 LYS 34 10.804 5.874 -0.189
277 HG2 LYS 34 HG2 LYS 34 12.043 7.947 -0.076
278 HG3 LYS 34 HG1 LYS 34 11.494 8.212 1.578
279 HD2 LYS 34 HD2 LYS 34 13.191 5.897 0.649
280 HD3 LYS 34 HD1 LYS 34 13.791 7.330 1.482
281 HE2 LYS 34 HE2 LYS 34 12.190 6.740 3.356
282 HE3 LYS 34 HE1 LYS 34 11.959 5.194 2.546
283 HZ1 LYS 34 HZ1 LYS 34 13.632 4.986 4.233
284 HZ2 LYS 34 HZ2 LYS 34 14.521 6.268 3.587
285 HZ3 LYS 34 HZ3 LYS 34 14.372 4.824 2.716
286 H ARG 35 HN ARG 35 10.034 9.707 0.800
287 HA ARG 35 HA ARG 35 8.590 9.729 3.325
288 HB2 ARG 35 HB2 ARG 35 10.936 10.544 3.228
289 HB3 ARG 35 HB1 ARG 35 10.416 11.837 2.157
290 HG2 ARG 35 HG2 ARG 35 9.008 12.757 3.897
291 HG3 ARG 35 HG1 ARG 35 9.427 11.423 4.971
292 HD2 ARG 35 HD2 ARG 35 11.777 12.130 4.904
293 HD3 ARG 35 HD1 ARG 35 11.335 13.480 3.861
294 HE ARG 35 HE ARG 35 9.762 13.623 6.167
295 HH11 ARG 35 HH11 ARG 35 13.140 13.862 5.287
296 HH12 ARG 35 HH12 ARG 35 13.526 14.984 6.551
297 HH21 ARG 35 HH21 ARG 35 10.256 15.093 7.841
298 HH22 ARG 35 HH22 ARG 35 11.874 15.693 8.012
299 H GLN 36 HN GLN 36 6.475 9.929 2.798
300 HA GLN 36 HA GLN 36 5.676 12.369 1.366
301 HB2 GLN 36 HB2 GLN 36 4.176 9.798 1.871
302 HB3 GLN 36 HB1 GLN 36 3.432 11.240 1.195
303 HG2 GLN 36 HG2 GLN 36 4.985 11.138 -0.697
304 HG3 GLN 36 HG1 GLN 36 5.692 9.671 -0.024
305 HE21 GLN 36 HE21 GLN 36 2.891 11.071 -1.536
306 HE22 GLN 36 HE22 GLN 36 2.138 9.579 -1.982
Start of MODEL 15
1 H1 THR 1 HT1 THR 1 -15.099 -0.928 10.466
2 H2 THR 1 HT2 THR 1 -16.528 -1.433 9.718
3 H3 THR 1 HT3 THR 1 -15.724 -2.465 10.784
4 HA THR 1 HA THR 1 -17.677 -1.486 11.789
5 HB THR 1 HB THR 1 -15.775 -2.117 13.212
6 HG1 THR 1 HG1 THR 1 -17.266 -1.348 14.540
7 HG21 THR 1 HG21 THR 1 -14.065 -0.665 12.219
8 HG22 THR 1 HG22 THR 1 -14.154 -0.457 13.966
9 HG23 THR 1 HG23 THR 1 -14.873 0.747 12.897
10 H TRP 2 HN TRP 2 -18.965 0.254 12.105
11 HA TRP 2 HA TRP 2 -19.846 2.332 11.836
12 HB2 TRP 2 HB2 TRP 2 -17.849 2.735 13.444
13 HB3 TRP 2 HB1 TRP 2 -17.081 3.487 12.050
14 HD1 TRP 2 HD1 TRP 2 -17.858 5.890 11.395
15 HE1 TRP 2 HE1 TRP 2 -19.460 7.604 12.457
16 HE3 TRP 2 HE3 TRP 2 -20.132 2.849 14.805
17 HZ2 TRP 2 HZ2 TRP 2 -21.428 7.648 14.481
18 HZ3 TRP 2 HZ3 TRP 2 -21.865 3.801 16.266
19 HH2 TRP 2 HH2 TRP 2 -22.498 6.151 16.106
20 H SER 3 HN SER 3 -18.854 0.840 9.507
21 HA SER 3 HA SER 3 -19.068 2.928 7.551
22 HB2 SER 3 HB2 SER 3 -16.886 2.093 6.407
23 HB3 SER 3 HB1 SER 3 -16.744 3.218 7.756
24 HG SER 3 HG SER 3 -16.238 1.500 9.110
25 H GLY 4 HN GLY 4 -20.767 1.928 6.594
26 HA2 GLY 4 HA2 GLY 4 -20.447 -0.924 5.917
27 HA3 GLY 4 HA1 GLY 4 -21.984 -0.129 6.181
28 H THR 5 HN THR 5 -20.621 2.167 4.502
29 HA THR 5 HA THR 5 -21.530 1.004 1.965
30 HB THR 5 HB THR 5 -21.689 3.480 1.270
31 HG1 THR 5 HG1 THR 5 -22.152 4.150 3.914
32 HG21 THR 5 HG21 THR 5 -23.917 3.702 2.288
33 HG22 THR 5 HG22 THR 5 -23.537 2.377 3.391
34 HG23 THR 5 HG23 THR 5 -23.645 2.077 1.656
35 H LYS 6 HN LYS 6 -19.233 3.532 3.007
36 HA LYS 6 HA LYS 6 -17.737 3.188 0.554
37 HB2 LYS 6 HB2 LYS 6 -17.213 5.015 2.902
38 HB3 LYS 6 HB1 LYS 6 -16.434 5.105 1.328
39 HG2 LYS 6 HG2 LYS 6 -18.614 5.581 0.298
40 HG3 LYS 6 HG1 LYS 6 -19.358 5.544 1.896
41 HD2 LYS 6 HD2 LYS 6 -17.200 7.451 1.001
42 HD3 LYS 6 HD1 LYS 6 -18.913 7.836 1.160
43 HE2 LYS 6 HE2 LYS 6 -18.752 7.245 3.575
44 HE3 LYS 6 HE1 LYS 6 -17.011 7.055 3.364
45 HZ1 LYS 6 HZ1 LYS 6 -16.940 9.386 2.610
46 HZ2 LYS 6 HZ2 LYS 6 -17.463 9.229 4.208
47 HZ3 LYS 6 HZ3 LYS 6 -18.582 9.544 2.980
48 H LYS 7 HN LYS 7 -17.791 1.200 2.918
49 HA LYS 7 HA LYS 7 -15.130 1.175 3.927
50 HB2 LYS 7 HB2 LYS 7 -15.715 -0.987 4.913
51 HB3 LYS 7 HB1 LYS 7 -16.957 0.211 5.218
52 HG2 LYS 7 HG2 LYS 7 -18.237 -1.599 4.691
53 HG3 LYS 7 HG1 LYS 7 -18.079 -0.847 3.106
54 HD2 LYS 7 HD2 LYS 7 -17.729 -3.224 2.906
55 HD3 LYS 7 HD1 LYS 7 -16.210 -2.385 2.601
56 HE2 LYS 7 HE2 LYS 7 -15.838 -4.346 3.985
57 HE3 LYS 7 HE1 LYS 7 -15.487 -2.881 4.896
58 HZ1 LYS 7 HZ1 LYS 7 -16.723 -4.441 6.229
59 HZ2 LYS 7 HZ2 LYS 7 -17.965 -4.504 5.085
60 HZ3 LYS 7 HZ3 LYS 7 -17.676 -3.075 5.938
61 H ARG 8 HN ARG 8 -16.245 0.506 0.901
62 HA ARG 8 HA ARG 8 -14.374 -1.647 0.350
63 HB2 ARG 8 HB2 ARG 8 -16.289 -0.118 -1.418
64 HB3 ARG 8 HB1 ARG 8 -15.176 -1.328 -2.027
65 HG2 ARG 8 HG2 ARG 8 -17.192 -2.467 -1.802
66 HG3 ARG 8 HG1 ARG 8 -16.285 -2.924 -0.361
67 HD2 ARG 8 HD2 ARG 8 -17.493 -1.163 0.896
68 HD3 ARG 8 HD1 ARG 8 -18.455 -0.839 -0.544
69 HE ARG 8 HE ARG 8 -18.473 -3.572 0.462
70 HH11 ARG 8 HH11 ARG 8 -20.090 -0.473 0.250
71 HH12 ARG 8 HH12 ARG 8 -21.641 -1.108 0.700
72 HH21 ARG 8 HH21 ARG 8 -20.513 -4.410 1.087
73 HH22 ARG 8 HH22 ARG 8 -21.882 -3.347 1.188
74 H ALA 9 HN ALA 9 -14.561 1.790 0.224
75 HA ALA 9 HA ALA 9 -12.438 2.145 -1.674
76 HB1 ALA 9 HB1 ALA 9 -13.685 4.092 0.261
77 HB2 ALA 9 HB2 ALA 9 -14.142 3.855 -1.426
78 HB3 ALA 9 HB3 ALA 9 -12.556 4.512 -1.026
79 H GLN 10 HN GLN 10 -12.738 2.102 1.838
80 HA GLN 10 HA GLN 10 -10.157 3.041 2.433
81 HB2 GLN 10 HB2 GLN 10 -10.503 2.076 4.666
82 HB3 GLN 10 HB1 GLN 10 -11.894 2.997 4.122
83 HG2 GLN 10 HG2 GLN 10 -12.883 1.161 5.077
84 HG3 GLN 10 HG1 GLN 10 -12.814 0.689 3.382
85 HE21 GLN 10 HE21 GLN 10 -12.869 -1.498 3.828
86 HE22 GLN 10 HE22 GLN 10 -11.536 -2.338 4.543
87 H ARG 11 HN ARG 11 -11.321 -0.106 1.512
88 HA ARG 11 HA ARG 11 -9.025 -1.545 2.395
89 HB2 ARG 11 HB2 ARG 11 -10.006 -3.441 1.474
90 HB3 ARG 11 HB1 ARG 11 -11.402 -2.443 1.856
91 HG2 ARG 11 HG2 ARG 11 -11.349 -1.662 -0.538
92 HG3 ARG 11 HG1 ARG 11 -10.161 -2.933 -0.834
93 HD2 ARG 11 HD2 ARG 11 -12.983 -3.279 0.156
94 HD3 ARG 11 HD1 ARG 11 -12.349 -3.734 -1.421
95 HE ARG 11 HE ARG 11 -10.879 -5.043 0.587
96 HH11 ARG 11 HH11 ARG 11 -14.004 -5.092 -0.996
97 HH12 ARG 11 HH12 ARG 11 -14.324 -6.746 -0.586
98 HH21 ARG 11 HH21 ARG 11 -11.287 -7.218 1.116
99 HH22 ARG 11 HH22 ARG 11 -12.773 -7.962 0.611
100 H ILE 12 HN ILE 12 -9.860 0.251 -0.448
101 HA ILE 12 HA ILE 12 -7.842 -0.761 -2.162
102 HB ILE 12 HB ILE 12 -9.151 1.969 -2.162
103 HG12 ILE 12 HG12 ILE 12 -9.811 -0.526 -3.744
104 HG13 ILE 12 HG11 ILE 12 -10.739 0.083 -2.378
105 HG21 ILE 12 HG21 ILE 12 -7.064 1.967 -3.422
106 HG22 ILE 12 HG22 ILE 12 -8.451 2.095 -4.504
107 HG23 ILE 12 HG23 ILE 12 -7.605 0.557 -4.334
108 HD11 ILE 12 HD11 ILE 12 -11.796 0.655 -4.477
109 HD12 ILE 12 HD12 ILE 12 -10.332 1.481 -5.009
110 HD13 ILE 12 HD13 ILE 12 -11.251 2.110 -3.642
111 H LEU 13 HN LEU 13 -7.992 1.914 0.141
112 HA LEU 13 HA LEU 13 -5.434 2.940 -0.271
113 HB2 LEU 13 HB2 LEU 13 -7.367 3.019 1.993
114 HB3 LEU 13 HB1 LEU 13 -5.723 3.554 2.279
115 HG LEU 13 HG LEU 13 -5.964 5.227 0.481
116 HD11 LEU 13 HD11 LEU 13 -8.818 4.276 0.382
117 HD12 LEU 13 HD12 LEU 13 -7.613 4.106 -0.894
118 HD13 LEU 13 HD13 LEU 13 -8.182 5.707 -0.427
119 HD21 LEU 13 HD21 LEU 13 -7.471 6.723 1.683
120 HD22 LEU 13 HD22 LEU 13 -6.415 5.846 2.789
121 HD23 LEU 13 HD23 LEU 13 -8.099 5.355 2.603
122 H ILE 14 HN ILE 14 -6.563 0.220 1.618
123 HA ILE 14 HA ILE 14 -4.199 -0.359 3.019
124 HB ILE 14 HB ILE 14 -6.222 -2.328 1.918
125 HG12 ILE 14 HG12 ILE 14 -6.084 -0.959 4.616
126 HG13 ILE 14 HG11 ILE 14 -7.249 -0.604 3.347
127 HG21 ILE 14 HG21 ILE 14 -4.232 -2.630 4.166
128 HG22 ILE 14 HG22 ILE 14 -4.117 -3.385 2.577
129 HG23 ILE 14 HG23 ILE 14 -5.426 -3.828 3.672
130 HD11 ILE 14 HD11 ILE 14 -8.095 -2.919 3.545
131 HD12 ILE 14 HD12 ILE 14 -8.283 -1.968 5.019
132 HD13 ILE 14 HD13 ILE 14 -6.994 -3.165 4.901
133 H PHE 15 HN PHE 15 -5.366 -1.483 -0.138
134 HA PHE 15 HA PHE 15 -3.138 -3.041 -0.835
135 HB2 PHE 15 HB2 PHE 15 -4.881 -1.486 -2.755
136 HB3 PHE 15 HB1 PHE 15 -3.952 -2.936 -3.102
137 HD1 PHE 15 HD2 PHE 15 -4.749 -4.417 -0.523
138 HD2 PHE 15 HD1 PHE 15 -6.981 -2.291 -3.456
139 HE1 PHE 15 HE2 PHE 15 -6.731 -5.765 0.010
140 HE2 PHE 15 HE1 PHE 15 -8.968 -3.639 -2.926
141 HZ PHE 15 HZ PHE 15 -8.843 -5.383 -1.192
142 H LEU 16 HN LEU 16 -3.917 0.343 -1.474
143 HA LEU 16 HA LEU 16 -1.667 1.021 -2.986
144 HB2 LEU 16 HB2 LEU 16 -3.091 2.813 -1.020
145 HB3 LEU 16 HB1 LEU 16 -2.124 3.321 -2.391
146 HG LEU 16 HG LEU 16 -4.772 1.890 -2.510
147 HD11 LEU 16 HD11 LEU 16 -3.989 4.709 -3.226
148 HD12 LEU 16 HD12 LEU 16 -4.976 4.216 -1.852
149 HD13 LEU 16 HD13 LEU 16 -5.575 3.984 -3.493
150 HD21 LEU 16 HD21 LEU 16 -3.010 2.885 -4.745
151 HD22 LEU 16 HD22 LEU 16 -4.635 2.227 -4.928
152 HD23 LEU 16 HD23 LEU 16 -3.328 1.198 -4.345
153 H LEU 17 HN LEU 17 -2.213 1.335 0.512
154 HA LEU 17 HA LEU 17 0.255 2.387 1.212
155 HB2 LEU 17 HB2 LEU 17 -1.630 2.263 2.745
156 HB3 LEU 17 HB1 LEU 17 -1.518 0.513 2.773
157 HG LEU 17 HG LEU 17 0.653 0.647 3.882
158 HD11 LEU 17 HD11 LEU 17 1.466 2.718 2.929
159 HD12 LEU 17 HD12 LEU 17 1.488 2.811 4.691
160 HD13 LEU 17 HD13 LEU 17 0.217 3.627 3.779
161 HD21 LEU 17 HD21 LEU 17 -0.121 1.526 6.025
162 HD22 LEU 17 HD22 LEU 17 -1.370 0.563 5.235
163 HD23 LEU 17 HD23 LEU 17 -1.468 2.322 5.211
164 H GLU 18 HN GLU 18 -0.719 -1.036 1.239
165 HA GLU 18 HA GLU 18 1.722 -2.131 1.987
166 HB2 GLU 18 HB2 GLU 18 -0.356 -3.308 0.135
167 HB3 GLU 18 HB1 GLU 18 0.929 -4.213 0.920
168 HG2 GLU 18 HG2 GLU 18 -1.273 -2.727 2.333
169 HG3 GLU 18 HG1 GLU 18 -1.228 -4.465 2.047
170 H PHE 19 HN PHE 19 0.530 -1.328 -1.253
171 HA PHE 19 HA PHE 19 2.781 -2.322 -2.663
172 HB2 PHE 19 HB2 PHE 19 0.604 -1.885 -3.736
173 HB3 PHE 19 HB1 PHE 19 0.818 -0.161 -3.462
174 HD1 PHE 19 HD1 PHE 19 2.315 -3.076 -5.193
175 HD2 PHE 19 HD2 PHE 19 1.926 1.157 -5.031
176 HE1 PHE 19 HE1 PHE 19 3.487 -2.890 -7.346
177 HE2 PHE 19 HE2 PHE 19 3.100 1.350 -7.184
178 HZ PHE 19 HZ PHE 19 3.883 -0.676 -8.343
179 H LEU 20 HN LEU 20 1.901 0.902 -1.490
180 HA LEU 20 HA LEU 20 4.100 2.299 -2.487
181 HB2 LEU 20 HB2 LEU 20 2.118 2.716 -0.332
182 HB3 LEU 20 HB1 LEU 20 3.581 3.673 -0.239
183 HG LEU 20 HG LEU 20 3.115 4.790 -2.269
184 HD11 LEU 20 HD11 LEU 20 0.909 2.788 -2.746
185 HD12 LEU 20 HD12 LEU 20 2.432 2.892 -3.631
186 HD13 LEU 20 HD13 LEU 20 1.253 4.198 -3.749
187 HD21 LEU 20 HD21 LEU 20 1.794 5.572 -0.402
188 HD22 LEU 20 HD22 LEU 20 0.540 4.389 -0.766
189 HD23 LEU 20 HD23 LEU 20 0.866 5.702 -1.895
190 H LEU 21 HN LEU 21 3.723 0.542 0.580
191 HA LEU 21 HA LEU 21 6.220 1.257 1.685
192 HB2 LEU 21 HB2 LEU 21 4.739 -1.349 2.060
193 HB3 LEU 21 HB1 LEU 21 5.958 -0.679 3.128
194 HG LEU 21 HG LEU 21 3.263 0.545 2.588
195 HD11 LEU 21 HD11 LEU 21 3.078 -1.539 3.835
196 HD12 LEU 21 HD12 LEU 21 2.708 -0.154 4.861
197 HD13 LEU 21 HD13 LEU 21 4.270 -0.960 4.998
198 HD21 LEU 21 HD21 LEU 21 3.819 2.006 4.487
199 HD22 LEU 21 HD22 LEU 21 4.930 2.221 3.135
200 HD23 LEU 21 HD23 LEU 21 5.431 1.292 4.549
201 H ASP 22 HN ASP 22 5.214 -1.357 -0.420
202 HA ASP 22 HA ASP 22 7.682 -2.743 -0.480
203 HB2 ASP 22 HB2 ASP 22 5.595 -3.802 -1.182
204 HB3 ASP 22 HB1 ASP 22 5.451 -2.672 -2.523
205 H PHE 23 HN PHE 23 6.268 -0.323 -2.637
206 HA PHE 23 HA PHE 23 8.458 -0.350 -4.471
207 HB2 PHE 23 HB2 PHE 23 6.090 0.279 -5.023
208 HB3 PHE 23 HB1 PHE 23 6.330 1.770 -4.123
209 HD1 PHE 23 HD1 PHE 23 7.396 -0.138 -7.090
210 HD2 PHE 23 HD2 PHE 23 7.446 3.621 -5.094
211 HE1 PHE 23 HE1 PHE 23 8.265 0.930 -9.129
212 HE2 PHE 23 HE2 PHE 23 8.315 4.694 -7.128
213 HZ PHE 23 HZ PHE 23 8.723 3.349 -9.150
214 H CYS 24 HN CYS 24 7.699 1.420 -1.583
215 HA CYS 24 HA CYS 24 9.240 3.725 -1.986
216 HB2 CYS 24 HB2 CYS 24 7.516 3.515 -0.241
217 HB3 CYS 24 HB1 CYS 24 8.533 2.368 0.621
218 HG CYS 24 HG CYS 24 10.511 4.795 0.356
219 H THR 25 HN THR 25 10.169 0.516 -0.947
220 HA THR 25 HA THR 25 12.583 1.255 0.326
221 HB THR 25 HB THR 25 11.414 -0.976 0.580
222 HG1 THR 25 HG1 THR 25 13.467 -0.775 1.429
223 HG21 THR 25 HG21 THR 25 11.077 -1.510 -1.772
224 HG22 THR 25 HG22 THR 25 12.052 -2.757 -0.993
225 HG23 THR 25 HG23 THR 25 12.822 -1.554 -2.028
226 H GLY 26 HN GLY 26 11.680 0.902 -2.979
227 HA2 GLY 26 HA2 GLY 26 12.841 1.800 -4.782
228 HA3 GLY 26 HA1 GLY 26 14.256 1.964 -3.759
229 H GLU 27 HN GLU 27 14.686 1.123 -6.237
230 HA GLU 27 HA GLU 27 14.896 -1.782 -6.212
231 HB2 GLU 27 HB2 GLU 27 15.822 0.239 -8.267
232 HB3 GLU 27 HB1 GLU 27 15.821 -1.508 -8.473
233 HG2 GLU 27 HG2 GLU 27 13.411 -1.560 -8.332
234 HG3 GLU 27 HG1 GLU 27 13.369 0.175 -8.021
235 H ASP 28 HN ASP 28 17.137 0.933 -6.762
236 HA ASP 28 HA ASP 28 19.398 -0.553 -5.787
237 HB2 ASP 28 HB2 ASP 28 19.023 2.390 -6.394
238 HB3 ASP 28 HB1 ASP 28 20.550 1.687 -5.877
239 H SER 29 HN SER 29 16.897 1.331 -4.496
240 HA SER 29 HA SER 29 16.232 1.846 -2.408
241 HB2 SER 29 HB2 SER 29 17.051 -0.539 -1.979
242 HB3 SER 29 HB1 SER 29 18.520 0.193 -1.335
243 HG SER 29 HG SER 29 15.868 0.680 -0.418
244 H VAL 30 HN VAL 30 17.797 2.296 -0.061
245 HA VAL 30 HA VAL 30 18.988 4.824 -0.826
246 HB VAL 30 HB VAL 30 19.060 5.271 1.597
247 HG11 VAL 30 HG11 VAL 30 16.625 5.346 1.961
248 HG12 VAL 30 HG12 VAL 30 16.405 4.292 0.564
249 HG13 VAL 30 HG13 VAL 30 17.085 5.907 0.353
250 HG21 VAL 30 HG21 VAL 30 19.417 3.013 2.415
251 HG22 VAL 30 HG22 VAL 30 17.816 2.539 1.850
252 HG23 VAL 30 HG23 VAL 30 17.978 3.712 3.156
253 H ASP 31 HN ASP 31 20.083 1.828 -0.736
254 HA ASP 31 HA ASP 31 22.635 2.398 0.565
255 HB2 ASP 31 HB2 ASP 31 21.593 0.242 1.074
256 HB3 ASP 31 HB1 ASP 31 21.579 -0.166 -0.639
257 H GLY 32 HN GLY 32 21.616 0.870 -2.478
258 HA2 GLY 32 HA2 GLY 32 22.214 1.303 -4.647
259 HA3 GLY 32 HA1 GLY 32 23.008 2.762 -4.085
260 H LYS 33 HN LYS 33 24.190 0.100 -2.398
261 HA LYS 33 HA LYS 33 26.560 0.126 -4.144
262 HB2 LYS 33 HB2 LYS 33 26.381 -0.578 -1.211
263 HB3 LYS 33 HB1 LYS 33 27.855 -0.469 -2.164
264 HG2 LYS 33 HG2 LYS 33 27.545 1.896 -2.461
265 HG3 LYS 33 HG1 LYS 33 25.980 1.826 -1.651
266 HD2 LYS 33 HD2 LYS 33 27.168 1.008 0.391
267 HD3 LYS 33 HD1 LYS 33 28.692 1.326 -0.439
268 HE2 LYS 33 HE2 LYS 33 28.062 3.180 1.032
269 HE3 LYS 33 HE1 LYS 33 28.105 3.675 -0.661
270 HZ1 LYS 33 HZ1 LYS 33 25.697 3.458 -0.745
271 HZ2 LYS 33 HZ2 LYS 33 26.156 4.545 0.465
272 HZ3 LYS 33 HZ3 LYS 33 25.659 2.986 0.880
273 H LYS 34 HN LYS 34 24.072 -1.591 -4.216
274 HA LYS 34 HA LYS 34 24.789 -4.229 -3.542
275 HB2 LYS 34 HB2 LYS 34 23.002 -4.852 -5.231
276 HB3 LYS 34 HB1 LYS 34 22.490 -3.814 -3.912
277 HG2 LYS 34 HG2 LYS 34 22.663 -1.863 -5.403
278 HG3 LYS 34 HG1 LYS 34 23.120 -2.939 -6.724
279 HD2 LYS 34 HD2 LYS 34 20.531 -3.120 -5.185
280 HD3 LYS 34 HD1 LYS 34 20.714 -2.299 -6.735
281 HE2 LYS 34 HE2 LYS 34 21.281 -5.218 -6.238
282 HE3 LYS 34 HE1 LYS 34 19.803 -4.582 -6.955
283 HZ1 LYS 34 HZ1 LYS 34 21.096 -3.704 -8.783
284 HZ2 LYS 34 HZ2 LYS 34 21.364 -5.366 -8.630
285 HZ3 LYS 34 HZ3 LYS 34 22.530 -4.270 -8.092
286 H ARG 35 HN ARG 35 26.434 -5.322 -4.296
287 HA ARG 35 HA ARG 35 28.044 -6.176 -5.643
288 HB2 ARG 35 HB2 ARG 35 26.085 -5.463 -7.831
289 HB3 ARG 35 HB1 ARG 35 27.539 -6.416 -8.077
290 HG2 ARG 35 HG2 ARG 35 25.214 -7.159 -6.312
291 HG3 ARG 35 HG1 ARG 35 25.578 -7.833 -7.903
292 HD2 ARG 35 HD2 ARG 35 27.310 -8.040 -5.442
293 HD3 ARG 35 HD1 ARG 35 26.324 -9.329 -6.129
294 HE ARG 35 HE ARG 35 27.903 -8.683 -8.196
295 HH11 ARG 35 HH11 ARG 35 28.641 -9.317 -4.833
296 HH12 ARG 35 HH12 ARG 35 30.211 -9.978 -5.167
297 HH21 ARG 35 HH21 ARG 35 29.973 -9.544 -8.640
298 HH22 ARG 35 HH22 ARG 35 30.960 -10.113 -7.336
299 H GLN 36 HN GLN 36 28.033 -3.365 -4.908
300 HA GLN 36 HA GLN 36 29.611 -2.231 -7.117
301 HB2 GLN 36 HB2 GLN 36 27.609 -0.922 -6.510
302 HB3 GLN 36 HB1 GLN 36 28.190 -0.812 -4.856
303 HG2 GLN 36 HG2 GLN 36 30.069 0.515 -5.545
304 HG3 GLN 36 HG1 GLN 36 29.642 0.302 -7.241
305 HE21 GLN 36 HE21 GLN 36 28.873 1.913 -4.271
306 HE22 GLN 36 HE22 GLN 36 27.779 3.071 -4.946
Start of MODEL 16
1 H1 THR 1 HT1 THR 1 -18.462 -6.372 3.544
2 H2 THR 1 HT2 THR 1 -18.102 -7.388 2.243
3 H3 THR 1 HT3 THR 1 -17.417 -7.685 3.755
4 HA THR 1 HA THR 1 -20.285 -7.865 3.059
5 HB THR 1 HB THR 1 -18.320 -10.051 3.792
6 HG1 THR 1 HG1 THR 1 -19.505 -9.318 1.292
7 HG21 THR 1 HG21 THR 1 -20.596 -10.555 4.516
8 HG22 THR 1 HG22 THR 1 -20.141 -11.573 3.150
9 HG23 THR 1 HG23 THR 1 -21.203 -10.189 2.902
10 H TRP 2 HN TRP 2 -17.829 -7.702 5.536
11 HA TRP 2 HA TRP 2 -19.949 -7.874 7.568
12 HB2 TRP 2 HB2 TRP 2 -17.056 -8.723 7.751
13 HB3 TRP 2 HB1 TRP 2 -18.108 -8.559 9.153
14 HD1 TRP 2 HD1 TRP 2 -17.561 -10.753 6.067
15 HE1 TRP 2 HE1 TRP 2 -18.846 -12.961 6.388
16 HE3 TRP 2 HE3 TRP 2 -20.100 -9.598 10.352
17 HZ2 TRP 2 HZ2 TRP 2 -20.683 -14.066 8.222
18 HZ3 TRP 2 HZ3 TRP 2 -21.597 -11.290 11.327
19 HH2 TRP 2 HH2 TRP 2 -21.882 -13.476 10.281
20 H SER 3 HN SER 3 -20.379 -5.681 7.438
21 HA SER 3 HA SER 3 -20.217 -3.478 7.928
22 HB2 SER 3 HB2 SER 3 -17.942 -4.357 9.726
23 HB3 SER 3 HB1 SER 3 -18.803 -2.820 9.817
24 HG SER 3 HG SER 3 -20.747 -4.229 10.076
25 H GLY 4 HN GLY 4 -19.062 -4.186 5.565
26 HA2 GLY 4 HA2 GLY 4 -16.529 -2.670 5.525
27 HA3 GLY 4 HA1 GLY 4 -16.828 -4.068 4.508
28 H THR 5 HN THR 5 -19.430 -1.843 4.975
29 HA THR 5 HA THR 5 -19.604 -1.277 2.205
30 HB THR 5 HB THR 5 -21.251 0.545 3.084
31 HG1 THR 5 HG1 THR 5 -21.914 -0.526 5.311
32 HG21 THR 5 HG21 THR 5 -22.979 -1.167 3.444
33 HG22 THR 5 HG22 THR 5 -21.721 -2.395 3.587
34 HG23 THR 5 HG23 THR 5 -21.958 -1.551 2.058
35 H LYS 6 HN LYS 6 -18.767 0.782 4.985
36 HA LYS 6 HA LYS 6 -17.813 2.906 3.281
37 HB2 LYS 6 HB2 LYS 6 -17.645 2.498 6.269
38 HB3 LYS 6 HB1 LYS 6 -17.091 3.941 5.435
39 HG2 LYS 6 HG2 LYS 6 -19.358 4.391 4.674
40 HG3 LYS 6 HG1 LYS 6 -19.923 2.919 5.465
41 HD2 LYS 6 HD2 LYS 6 -20.385 4.914 6.819
42 HD3 LYS 6 HD1 LYS 6 -19.274 3.812 7.635
43 HE2 LYS 6 HE2 LYS 6 -17.385 5.195 6.955
44 HE3 LYS 6 HE1 LYS 6 -18.473 6.277 6.093
45 HZ1 LYS 6 HZ1 LYS 6 -17.879 7.171 8.243
46 HZ2 LYS 6 HZ2 LYS 6 -18.470 5.787 9.018
47 HZ3 LYS 6 HZ3 LYS 6 -19.532 6.814 8.201
48 H LYS 7 HN LYS 7 -16.599 -0.006 3.877
49 HA LYS 7 HA LYS 7 -13.828 0.899 4.219
50 HB2 LYS 7 HB2 LYS 7 -14.934 -1.899 4.500
51 HB3 LYS 7 HB1 LYS 7 -13.299 -1.381 4.878
52 HG2 LYS 7 HG2 LYS 7 -15.811 -0.527 6.301
53 HG3 LYS 7 HG1 LYS 7 -14.600 -1.658 6.900
54 HD2 LYS 7 HD2 LYS 7 -14.107 1.252 6.273
55 HD3 LYS 7 HD1 LYS 7 -14.366 0.588 7.885
56 HE2 LYS 7 HE2 LYS 7 -12.116 -0.170 6.024
57 HE3 LYS 7 HE1 LYS 7 -11.985 0.948 7.377
58 HZ1 LYS 7 HZ1 LYS 7 -11.195 -1.241 7.980
59 HZ2 LYS 7 HZ2 LYS 7 -12.686 -1.930 7.572
60 HZ3 LYS 7 HZ3 LYS 7 -12.581 -0.858 8.873
61 H ARG 8 HN ARG 8 -15.772 0.545 1.767
62 HA ARG 8 HA ARG 8 -14.411 -1.316 0.077
63 HB2 ARG 8 HB2 ARG 8 -16.821 -0.414 -0.140
64 HB3 ARG 8 HB1 ARG 8 -16.098 1.018 -0.848
65 HG2 ARG 8 HG2 ARG 8 -15.733 -1.760 -1.948
66 HG3 ARG 8 HG1 ARG 8 -16.984 -0.643 -2.484
67 HD2 ARG 8 HD2 ARG 8 -14.003 -0.249 -2.673
68 HD3 ARG 8 HD1 ARG 8 -15.111 -0.570 -4.006
69 HE ARG 8 HE ARG 8 -16.049 1.728 -2.828
70 HH11 ARG 8 HH11 ARG 8 -13.049 0.710 -4.315
71 HH12 ARG 8 HH12 ARG 8 -12.603 2.309 -4.815
72 HH21 ARG 8 HH21 ARG 8 -15.463 3.839 -3.497
73 HH22 ARG 8 HH22 ARG 8 -13.983 4.085 -4.370
74 H ALA 9 HN ALA 9 -14.358 2.204 0.487
75 HA ALA 9 HA ALA 9 -12.273 2.619 -1.421
76 HB1 ALA 9 HB1 ALA 9 -13.857 4.384 -0.778
77 HB2 ALA 9 HB2 ALA 9 -12.182 4.877 -0.533
78 HB3 ALA 9 HB3 ALA 9 -13.170 4.394 0.846
79 H GLN 10 HN GLN 10 -12.434 2.195 2.064
80 HA GLN 10 HA GLN 10 -9.748 2.762 2.650
81 HB2 GLN 10 HB2 GLN 10 -11.815 1.104 4.081
82 HB3 GLN 10 HB1 GLN 10 -10.203 1.366 4.726
83 HG2 GLN 10 HG2 GLN 10 -12.173 3.540 4.064
84 HG3 GLN 10 HG1 GLN 10 -11.867 2.897 5.678
85 HE21 GLN 10 HE21 GLN 10 -9.904 3.346 6.691
86 HE22 GLN 10 HE22 GLN 10 -8.877 4.633 6.164
87 H ARG 11 HN ARG 11 -11.346 -0.213 1.631
88 HA ARG 11 HA ARG 11 -9.192 -1.939 2.234
89 HB2 ARG 11 HB2 ARG 11 -10.327 -3.614 1.018
90 HB3 ARG 11 HB1 ARG 11 -11.595 -2.612 1.707
91 HG2 ARG 11 HG2 ARG 11 -11.824 -1.466 -0.458
92 HG3 ARG 11 HG1 ARG 11 -10.618 -2.564 -1.134
93 HD2 ARG 11 HD2 ARG 11 -13.245 -3.385 0.092
94 HD3 ARG 11 HD1 ARG 11 -12.913 -3.281 -1.634
95 HE ARG 11 HE ARG 11 -11.019 -4.970 -0.406
96 HH11 ARG 11 HH11 ARG 11 -14.414 -4.889 -1.234
97 HH12 ARG 11 HH12 ARG 11 -14.530 -6.602 -1.476
98 HH21 ARG 11 HH21 ARG 11 -11.160 -7.228 -0.724
99 HH22 ARG 11 HH22 ARG 11 -12.679 -7.933 -1.174
100 H ILE 12 HN ILE 12 -9.973 0.039 -0.553
101 HA ILE 12 HA ILE 12 -7.916 -0.962 -2.241
102 HB ILE 12 HB ILE 12 -9.310 1.726 -2.277
103 HG12 ILE 12 HG12 ILE 12 -10.867 -0.137 -2.569
104 HG13 ILE 12 HG11 ILE 12 -10.673 0.741 -4.081
105 HG21 ILE 12 HG21 ILE 12 -7.196 1.823 -3.473
106 HG22 ILE 12 HG22 ILE 12 -8.549 1.889 -4.602
107 HG23 ILE 12 HG23 ILE 12 -7.638 0.392 -4.406
108 HD11 ILE 12 HD11 ILE 12 -9.383 -1.880 -3.365
109 HD12 ILE 12 HD12 ILE 12 -9.123 -0.992 -4.864
110 HD13 ILE 12 HD13 ILE 12 -10.719 -1.635 -4.487
111 H LEU 13 HN LEU 13 -8.199 1.762 -0.013
112 HA LEU 13 HA LEU 13 -5.730 2.944 -0.306
113 HB2 LEU 13 HB2 LEU 13 -7.483 3.883 1.085
114 HB3 LEU 13 HB1 LEU 13 -7.355 2.541 2.205
115 HG LEU 13 HG LEU 13 -5.065 3.280 2.793
116 HD11 LEU 13 HD11 LEU 13 -5.715 5.619 1.008
117 HD12 LEU 13 HD12 LEU 13 -4.462 4.408 0.738
118 HD13 LEU 13 HD13 LEU 13 -4.334 5.522 2.100
119 HD21 LEU 13 HD21 LEU 13 -5.743 5.241 4.083
120 HD22 LEU 13 HD22 LEU 13 -6.972 3.977 4.140
121 HD23 LEU 13 HD23 LEU 13 -7.200 5.384 3.101
122 H ILE 14 HN ILE 14 -6.615 0.171 1.727
123 HA ILE 14 HA ILE 14 -4.152 -0.260 2.960
124 HB ILE 14 HB ILE 14 -6.107 -2.398 2.097
125 HG12 ILE 14 HG12 ILE 14 -7.268 -0.644 3.330
126 HG13 ILE 14 HG11 ILE 14 -7.116 -2.081 4.325
127 HG21 ILE 14 HG21 ILE 14 -4.096 -2.343 4.346
128 HG22 ILE 14 HG22 ILE 14 -3.952 -3.266 2.852
129 HG23 ILE 14 HG23 ILE 14 -5.231 -3.648 4.003
130 HD11 ILE 14 HD11 ILE 14 -5.247 -1.058 5.516
131 HD12 ILE 14 HD12 ILE 14 -6.710 -0.081 5.623
132 HD13 ILE 14 HD13 ILE 14 -5.416 0.388 4.522
133 H PHE 15 HN PHE 15 -5.395 -1.448 -0.124
134 HA PHE 15 HA PHE 15 -3.182 -3.134 -0.709
135 HB2 PHE 15 HB2 PHE 15 -5.225 -1.907 -2.576
136 HB3 PHE 15 HB1 PHE 15 -4.150 -3.235 -2.967
137 HD1 PHE 15 HD1 PHE 15 -4.501 -4.527 -0.126
138 HD2 PHE 15 HD2 PHE 15 -7.195 -3.153 -3.120
139 HE1 PHE 15 HE1 PHE 15 -6.199 -6.107 0.682
140 HE2 PHE 15 HE2 PHE 15 -8.898 -4.733 -2.317
141 HZ PHE 15 HZ PHE 15 -8.401 -6.216 -0.415
142 H LEU 16 HN LEU 16 -4.008 0.183 -1.548
143 HA LEU 16 HA LEU 16 -1.817 0.641 -3.287
144 HB2 LEU 16 HB2 LEU 16 -3.213 2.676 -1.544
145 HB3 LEU 16 HB1 LEU 16 -2.283 2.998 -2.993
146 HG LEU 16 HG LEU 16 -4.920 1.539 -2.878
147 HD11 LEU 16 HD11 LEU 16 -5.784 3.508 -4.055
148 HD12 LEU 16 HD12 LEU 16 -4.212 4.285 -3.890
149 HD13 LEU 16 HD13 LEU 16 -5.164 3.914 -2.455
150 HD21 LEU 16 HD21 LEU 16 -3.529 0.678 -4.672
151 HD22 LEU 16 HD22 LEU 16 -3.211 2.319 -5.236
152 HD23 LEU 16 HD23 LEU 16 -4.841 1.655 -5.332
153 H LEU 17 HN LEU 17 -2.341 1.332 0.138
154 HA LEU 17 HA LEU 17 0.110 2.557 0.676
155 HB2 LEU 17 HB2 LEU 17 -2.078 2.329 2.075
156 HB3 LEU 17 HB1 LEU 17 -1.333 0.872 2.697
157 HG LEU 17 HG LEU 17 -0.032 3.588 2.884
158 HD11 LEU 17 HD11 LEU 17 -1.737 2.155 4.916
159 HD12 LEU 17 HD12 LEU 17 -2.150 3.648 4.073
160 HD13 LEU 17 HD13 LEU 17 -0.802 3.621 5.210
161 HD21 LEU 17 HD21 LEU 17 1.505 1.729 3.098
162 HD22 LEU 17 HD22 LEU 17 0.467 0.977 4.308
163 HD23 LEU 17 HD23 LEU 17 1.276 2.505 4.665
164 H GLU 18 HN GLU 18 -0.843 -0.866 1.002
165 HA GLU 18 HA GLU 18 1.578 -1.780 2.093
166 HB2 GLU 18 HB2 GLU 18 0.833 -4.001 1.541
167 HB3 GLU 18 HB1 GLU 18 -0.559 -3.065 2.049
168 HG2 GLU 18 HG2 GLU 18 -1.286 -2.809 -0.207
169 HG3 GLU 18 HG1 GLU 18 0.189 -3.558 -0.813
170 H PHE 19 HN PHE 19 0.574 -1.200 -1.189
171 HA PHE 19 HA PHE 19 2.805 -2.504 -2.410
172 HB2 PHE 19 HB2 PHE 19 0.666 -2.184 -3.593
173 HB3 PHE 19 HB1 PHE 19 0.903 -0.442 -3.545
174 HD1 PHE 19 HD2 PHE 19 2.089 -3.592 -5.014
175 HD2 PHE 19 HD1 PHE 19 2.395 0.652 -5.049
176 HE1 PHE 19 HE2 PHE 19 3.336 -3.701 -7.130
177 HE2 PHE 19 HE1 PHE 19 3.644 0.549 -7.162
178 HZ PHE 19 HZ PHE 19 4.116 -1.629 -8.205
179 H LEU 20 HN LEU 20 1.961 0.858 -1.678
180 HA LEU 20 HA LEU 20 4.158 2.058 -2.927
181 HB2 LEU 20 HB2 LEU 20 2.550 2.993 -0.553
182 HB3 LEU 20 HB1 LEU 20 3.672 3.994 -1.455
183 HG LEU 20 HG LEU 20 1.204 2.708 -2.623
184 HD11 LEU 20 HD11 LEU 20 1.700 5.558 -1.784
185 HD12 LEU 20 HD12 LEU 20 0.622 4.411 -0.989
186 HD13 LEU 20 HD13 LEU 20 0.269 4.963 -2.628
187 HD21 LEU 20 HD21 LEU 20 2.955 3.057 -4.273
188 HD22 LEU 20 HD22 LEU 20 3.133 4.734 -3.754
189 HD23 LEU 20 HD23 LEU 20 1.637 4.203 -4.520
190 H LEU 21 HN LEU 21 3.784 0.884 0.406
191 HA LEU 21 HA LEU 21 6.339 1.816 1.234
192 HB2 LEU 21 HB2 LEU 21 6.016 0.481 3.232
193 HB3 LEU 21 HB1 LEU 21 4.570 1.389 2.851
194 HG LEU 21 HG LEU 21 3.835 -0.853 1.702
195 HD11 LEU 21 HD11 LEU 21 5.810 -1.811 3.765
196 HD12 LEU 21 HD12 LEU 21 5.943 -2.022 2.019
197 HD13 LEU 21 HD13 LEU 21 4.644 -2.819 2.907
198 HD21 LEU 21 HD21 LEU 21 2.785 -1.535 3.817
199 HD22 LEU 21 HD22 LEU 21 2.666 0.201 3.544
200 HD23 LEU 21 HD23 LEU 21 3.849 -0.431 4.685
201 H ASP 22 HN ASP 22 5.188 -1.103 -0.271
202 HA ASP 22 HA ASP 22 7.601 -2.602 0.077
203 HB2 ASP 22 HB2 ASP 22 5.464 -3.732 -0.303
204 HB3 ASP 22 HB1 ASP 22 5.316 -2.963 -1.878
205 H PHE 23 HN PHE 23 6.240 -0.537 -2.412
206 HA PHE 23 HA PHE 23 8.235 -0.829 -4.361
207 HB2 PHE 23 HB2 PHE 23 6.056 0.304 -4.727
208 HB3 PHE 23 HB1 PHE 23 6.586 1.624 -3.691
209 HD1 PHE 23 HD1 PHE 23 7.081 -0.039 -6.925
210 HD2 PHE 23 HD2 PHE 23 8.065 3.313 -4.497
211 HE1 PHE 23 HE1 PHE 23 8.038 1.095 -8.884
212 HE2 PHE 23 HE2 PHE 23 9.024 4.454 -6.455
213 HZ PHE 23 HZ PHE 23 9.009 3.344 -8.651
214 H CYS 24 HN CYS 24 8.006 1.197 -1.491
215 HA CYS 24 HA CYS 24 10.375 2.687 -1.990
216 HB2 CYS 24 HB2 CYS 24 8.892 2.189 0.599
217 HB3 CYS 24 HB1 CYS 24 10.169 3.380 0.379
218 HG CYS 24 HG CYS 24 7.041 3.407 -0.990
219 H THR 25 HN THR 25 9.768 0.244 0.563
220 HA THR 25 HA THR 25 12.653 -0.290 0.555
221 HB THR 25 HB THR 25 12.192 -1.442 2.748
222 HG1 THR 25 HG1 THR 25 10.200 -1.563 3.462
223 HG21 THR 25 HG21 THR 25 11.446 1.477 2.557
224 HG22 THR 25 HG22 THR 25 13.084 0.831 2.654
225 HG23 THR 25 HG23 THR 25 11.980 0.644 4.018
226 H GLY 26 HN GLY 26 9.657 -2.164 1.058
227 HA2 GLY 26 HA2 GLY 26 9.161 -3.949 -0.567
228 HA3 GLY 26 HA1 GLY 26 10.881 -4.304 -0.568
229 H GLU 27 HN GLU 27 8.118 -5.571 0.355
230 HA GLU 27 HA GLU 27 9.227 -6.676 2.858
231 HB2 GLU 27 HB2 GLU 27 6.343 -6.658 1.944
232 HB3 GLU 27 HB1 GLU 27 6.940 -7.292 3.470
233 HG2 GLU 27 HG2 GLU 27 7.712 -5.011 4.051
234 HG3 GLU 27 HG1 GLU 27 6.948 -4.422 2.576
235 H ASP 28 HN ASP 28 7.432 -7.500 -0.084
236 HA ASP 28 HA ASP 28 8.757 -10.124 -0.063
237 HB2 ASP 28 HB2 ASP 28 6.387 -10.329 0.750
238 HB3 ASP 28 HB1 ASP 28 5.850 -9.709 -0.804
239 H SER 29 HN SER 29 8.434 -7.294 -1.539
240 HA SER 29 HA SER 29 8.951 -6.455 -3.560
241 HB2 SER 29 HB2 SER 29 9.549 -9.311 -4.348
242 HB3 SER 29 HB1 SER 29 10.025 -7.863 -5.225
243 HG SER 29 HG SER 29 10.779 -7.926 -2.569
244 H VAL 30 HN VAL 30 8.344 -6.796 -6.032
245 HA VAL 30 HA VAL 30 5.513 -7.592 -6.070
246 HB VAL 30 HB VAL 30 6.033 -5.171 -6.463
247 HG11 VAL 30 HG11 VAL 30 7.241 -6.156 -9.036
248 HG12 VAL 30 HG12 VAL 30 8.108 -5.408 -7.697
249 HG13 VAL 30 HG13 VAL 30 6.932 -4.471 -8.617
250 HG21 VAL 30 HG21 VAL 30 4.682 -6.655 -8.709
251 HG22 VAL 30 HG22 VAL 30 4.537 -4.922 -8.408
252 HG23 VAL 30 HG23 VAL 30 3.936 -6.078 -7.218
253 H ASP 31 HN ASP 31 7.639 -9.434 -6.362
254 HA ASP 31 HA ASP 31 8.029 -10.002 -9.158
255 HB2 ASP 31 HB2 ASP 31 9.737 -10.511 -7.389
256 HB3 ASP 31 HB1 ASP 31 8.663 -11.769 -6.785
257 H GLY 32 HN GLY 32 5.581 -10.537 -6.944
258 HA2 GLY 32 HA2 GLY 32 4.573 -13.040 -7.860
259 HA3 GLY 32 HA1 GLY 32 3.675 -11.826 -6.959
260 H LYS 33 HN LYS 33 4.839 -10.122 -9.396
261 HA LYS 33 HA LYS 33 4.249 -9.452 -11.465
262 HB2 LYS 33 HB2 LYS 33 3.002 -12.196 -11.623
263 HB3 LYS 33 HB1 LYS 33 3.147 -11.091 -12.985
264 HG2 LYS 33 HG2 LYS 33 5.530 -11.176 -12.890
265 HG3 LYS 33 HG1 LYS 33 5.487 -12.079 -11.376
266 HD2 LYS 33 HD2 LYS 33 4.413 -13.953 -12.541
267 HD3 LYS 33 HD1 LYS 33 4.489 -13.047 -14.053
268 HE2 LYS 33 HE2 LYS 33 6.317 -14.706 -13.800
269 HE3 LYS 33 HE1 LYS 33 6.889 -13.050 -14.003
270 HZ1 LYS 33 HZ1 LYS 33 6.645 -14.459 -11.400
271 HZ2 LYS 33 HZ2 LYS 33 7.268 -12.906 -11.639
272 HZ3 LYS 33 HZ3 LYS 33 8.085 -14.248 -12.256
273 H LYS 34 HN LYS 34 2.529 -8.970 -9.127
274 HA LYS 34 HA LYS 34 -0.005 -8.497 -10.493
275 HB2 LYS 34 HB2 LYS 34 0.800 -7.971 -7.628
276 HB3 LYS 34 HB1 LYS 34 -0.795 -7.681 -8.297
277 HG2 LYS 34 HG2 LYS 34 -0.867 -10.145 -8.850
278 HG3 LYS 34 HG1 LYS 34 0.577 -10.311 -7.850
279 HD2 LYS 34 HD2 LYS 34 -2.094 -9.224 -6.954
280 HD3 LYS 34 HD1 LYS 34 -1.443 -10.818 -6.576
281 HE2 LYS 34 HE2 LYS 34 0.408 -9.779 -5.365
282 HE3 LYS 34 HE1 LYS 34 -0.225 -8.181 -5.757
283 HZ1 LYS 34 HZ1 LYS 34 -1.587 -10.244 -4.112
284 HZ2 LYS 34 HZ2 LYS 34 -2.241 -8.739 -4.517
285 HZ3 LYS 34 HZ3 LYS 34 -0.867 -8.825 -3.536
286 H ARG 35 HN ARG 35 1.899 -7.194 -11.742
287 HA ARG 35 HA ARG 35 2.272 -4.543 -10.607
288 HB2 ARG 35 HB2 ARG 35 3.242 -5.693 -13.233
289 HB3 ARG 35 HB1 ARG 35 3.728 -4.151 -12.543
290 HG2 ARG 35 HG2 ARG 35 4.735 -5.316 -10.646
291 HG3 ARG 35 HG1 ARG 35 4.248 -6.862 -11.338
292 HD2 ARG 35 HD2 ARG 35 6.557 -6.483 -11.847
293 HD3 ARG 35 HD1 ARG 35 5.622 -6.339 -13.333
294 HE ARG 35 HE ARG 35 5.755 -3.831 -12.821
295 HH11 ARG 35 HH11 ARG 35 8.251 -6.149 -12.020
296 HH12 ARG 35 HH12 ARG 35 9.539 -4.996 -12.142
297 HH21 ARG 35 HH21 ARG 35 7.450 -2.313 -13.010
298 HH22 ARG 35 HH22 ARG 35 9.087 -2.812 -12.714
299 H GLN 36 HN GLN 36 0.411 -6.184 -13.013
300 HA GLN 36 HA GLN 36 -0.746 -3.626 -13.875
301 HB2 GLN 36 HB2 GLN 36 -0.898 -6.316 -15.249
302 HB3 GLN 36 HB1 GLN 36 -1.531 -4.796 -15.867
303 HG2 GLN 36 HG2 GLN 36 1.377 -5.370 -15.343
304 HG3 GLN 36 HG1 GLN 36 0.592 -5.472 -16.916
305 HE21 GLN 36 HE21 GLN 36 1.919 -3.918 -17.803
306 HE22 GLN 36 HE22 GLN 36 1.779 -2.240 -17.413
Start of MODEL 17
1 H1 THR 1 HT1 THR 1 -19.228 -1.584 -6.480
2 H2 THR 1 HT2 THR 1 -20.383 -1.334 -7.685
3 H3 THR 1 HT3 THR 1 -19.795 -2.891 -7.386
4 HA THR 1 HA THR 1 -21.984 -2.633 -6.463
5 HB THR 1 HB THR 1 -21.321 -3.091 -4.012
6 HG1 THR 1 HG1 THR 1 -18.988 -3.584 -3.909
7 HG21 THR 1 HG21 THR 1 -20.113 -4.718 -6.253
8 HG22 THR 1 HG22 THR 1 -21.753 -4.869 -5.620
9 HG23 THR 1 HG23 THR 1 -20.373 -5.288 -4.605
10 H TRP 2 HN TRP 2 -23.114 -1.742 -4.420
11 HA TRP 2 HA TRP 2 -22.337 1.011 -3.836
12 HB2 TRP 2 HB2 TRP 2 -23.848 0.873 -5.917
13 HB3 TRP 2 HB1 TRP 2 -25.129 0.434 -4.793
14 HD1 TRP 2 HD1 TRP 2 -26.194 2.347 -3.363
15 HE1 TRP 2 HE1 TRP 2 -25.958 4.912 -3.364
16 HE3 TRP 2 HE3 TRP 2 -22.040 2.757 -6.304
17 HZ2 TRP 2 HZ2 TRP 2 -24.222 6.852 -4.473
18 HZ3 TRP 2 HZ3 TRP 2 -21.152 5.002 -6.790
19 HH2 TRP 2 HH2 TRP 2 -22.222 7.004 -5.892
20 H SER 3 HN SER 3 -22.063 -0.809 -1.977
21 HA SER 3 HA SER 3 -24.185 -0.147 -0.096
22 HB2 SER 3 HB2 SER 3 -24.805 -2.353 -1.112
23 HB3 SER 3 HB1 SER 3 -23.300 -3.019 -0.485
24 HG SER 3 HG SER 3 -24.027 -2.611 1.599
25 H GLY 4 HN GLY 4 -21.271 0.366 -0.652
26 HA2 GLY 4 HA2 GLY 4 -20.390 0.601 2.000
27 HA3 GLY 4 HA1 GLY 4 -19.653 -0.837 1.300
28 H THR 5 HN THR 5 -20.389 2.449 0.206
29 HA THR 5 HA THR 5 -18.375 2.569 -1.714
30 HB THR 5 HB THR 5 -18.691 5.108 -1.469
31 HG1 THR 5 HG1 THR 5 -20.914 4.292 0.113
32 HG21 THR 5 HG21 THR 5 -20.903 5.013 -2.541
33 HG22 THR 5 HG22 THR 5 -21.075 3.335 -2.027
34 HG23 THR 5 HG23 THR 5 -19.817 3.780 -3.182
35 H LYS 6 HN LYS 6 -18.401 4.017 1.545
36 HA LYS 6 HA LYS 6 -15.748 4.989 1.407
37 HB2 LYS 6 HB2 LYS 6 -17.499 4.346 3.783
38 HB3 LYS 6 HB1 LYS 6 -15.931 5.131 3.909
39 HG2 LYS 6 HG2 LYS 6 -16.764 6.983 2.536
40 HG3 LYS 6 HG1 LYS 6 -18.343 6.199 2.457
41 HD2 LYS 6 HD2 LYS 6 -18.597 6.377 4.853
42 HD3 LYS 6 HD1 LYS 6 -16.967 7.034 5.009
43 HE2 LYS 6 HE2 LYS 6 -17.643 8.980 3.671
44 HE3 LYS 6 HE1 LYS 6 -19.274 8.323 3.556
45 HZ1 LYS 6 HZ1 LYS 6 -19.455 8.475 5.966
46 HZ2 LYS 6 HZ2 LYS 6 -19.129 9.987 5.283
47 HZ3 LYS 6 HZ3 LYS 6 -17.896 9.129 6.060
48 H LYS 7 HN LYS 7 -17.150 2.050 2.766
49 HA LYS 7 HA LYS 7 -14.849 1.043 3.995
50 HB2 LYS 7 HB2 LYS 7 -17.158 -0.496 2.800
51 HB3 LYS 7 HB1 LYS 7 -15.995 -1.127 3.958
52 HG2 LYS 7 HG2 LYS 7 -16.766 0.497 5.616
53 HG3 LYS 7 HG1 LYS 7 -17.940 1.118 4.452
54 HD2 LYS 7 HD2 LYS 7 -19.008 -1.079 4.359
55 HD3 LYS 7 HD1 LYS 7 -17.833 -1.702 5.520
56 HE2 LYS 7 HE2 LYS 7 -18.635 -0.056 7.168
57 HE3 LYS 7 HE1 LYS 7 -19.842 0.493 6.005
58 HZ1 LYS 7 HZ1 LYS 7 -19.647 -2.233 7.159
59 HZ2 LYS 7 HZ2 LYS 7 -20.777 -1.747 6.002
60 HZ3 LYS 7 HZ3 LYS 7 -20.809 -1.068 7.550
61 H ARG 8 HN ARG 8 -16.165 0.421 0.758
62 HA ARG 8 HA ARG 8 -14.172 -1.385 -0.065
63 HB2 ARG 8 HB2 ARG 8 -16.321 -1.119 -1.228
64 HB3 ARG 8 HB1 ARG 8 -15.865 0.502 -1.717
65 HG2 ARG 8 HG2 ARG 8 -15.642 -1.169 -3.516
66 HG3 ARG 8 HG1 ARG 8 -14.133 -0.340 -3.139
67 HD2 ARG 8 HD2 ARG 8 -13.897 -2.794 -3.501
68 HD3 ARG 8 HD1 ARG 8 -13.311 -2.234 -1.937
69 HE ARG 8 HE ARG 8 -15.764 -2.990 -1.283
70 HH11 ARG 8 HH11 ARG 8 -13.415 -4.599 -3.323
71 HH12 ARG 8 HH12 ARG 8 -13.962 -6.193 -2.904
72 HH21 ARG 8 HH21 ARG 8 -16.454 -5.082 -0.704
73 HH22 ARG 8 HH22 ARG 8 -15.680 -6.467 -1.412
74 H ALA 9 HN ALA 9 -14.437 2.130 -0.355
75 HA ALA 9 HA ALA 9 -12.090 2.522 -1.869
76 HB1 ALA 9 HB1 ALA 9 -13.837 4.218 -1.659
77 HB2 ALA 9 HB2 ALA 9 -12.264 4.854 -1.182
78 HB3 ALA 9 HB3 ALA 9 -13.444 4.412 0.049
79 H GLN 10 HN GLN 10 -12.714 2.591 1.615
80 HA GLN 10 HA GLN 10 -10.139 3.316 2.450
81 HB2 GLN 10 HB2 GLN 10 -12.381 1.833 3.797
82 HB3 GLN 10 HB1 GLN 10 -10.856 2.131 4.617
83 HG2 GLN 10 HG2 GLN 10 -12.624 4.273 3.460
84 HG3 GLN 10 HG1 GLN 10 -12.600 3.785 5.155
85 HE21 GLN 10 HE21 GLN 10 -11.985 6.364 3.915
86 HE22 GLN 10 HE22 GLN 10 -10.372 6.756 4.406
87 H ARG 11 HN ARG 11 -11.526 0.141 1.719
88 HA ARG 11 HA ARG 11 -9.317 -1.288 2.800
89 HB2 ARG 11 HB2 ARG 11 -10.350 -3.227 2.124
90 HB3 ARG 11 HB1 ARG 11 -11.727 -2.143 2.224
91 HG2 ARG 11 HG2 ARG 11 -11.722 -1.849 -0.168
92 HG3 ARG 11 HG1 ARG 11 -10.254 -2.817 -0.313
93 HD2 ARG 11 HD2 ARG 11 -12.962 -3.755 0.620
94 HD3 ARG 11 HD1 ARG 11 -12.167 -4.167 -0.894
95 HE ARG 11 HE ARG 11 -11.129 -4.984 1.749
96 HH11 ARG 11 HH11 ARG 11 -11.807 -5.673 -1.619
97 HH12 ARG 11 HH12 ARG 11 -11.201 -7.294 -1.538
98 HH21 ARG 11 HH21 ARG 11 -10.317 -7.095 1.855
99 HH22 ARG 11 HH22 ARG 11 -10.342 -8.103 0.441
100 H ILE 12 HN ILE 12 -10.042 0.086 -0.342
101 HA ILE 12 HA ILE 12 -7.962 -1.150 -1.796
102 HB ILE 12 HB ILE 12 -9.222 1.568 -2.216
103 HG12 ILE 12 HG12 ILE 12 -9.797 -1.089 -3.544
104 HG13 ILE 12 HG11 ILE 12 -10.799 -0.342 -2.305
105 HG21 ILE 12 HG21 ILE 12 -7.076 1.443 -3.343
106 HG22 ILE 12 HG22 ILE 12 -8.385 1.391 -4.521
107 HG23 ILE 12 HG23 ILE 12 -7.532 -0.089 -4.085
108 HD11 ILE 12 HD11 ILE 12 -10.236 0.779 -5.039
109 HD12 ILE 12 HD12 ILE 12 -11.232 1.539 -3.799
110 HD13 ILE 12 HD13 ILE 12 -11.730 0.006 -4.513
111 H LEU 13 HN LEU 13 -8.097 1.734 0.214
112 HA LEU 13 HA LEU 13 -5.578 2.780 -0.327
113 HB2 LEU 13 HB2 LEU 13 -7.057 2.822 2.307
114 HB3 LEU 13 HB1 LEU 13 -5.751 3.895 1.848
115 HG LEU 13 HG LEU 13 -8.469 3.799 0.531
116 HD11 LEU 13 HD11 LEU 13 -8.539 4.681 2.815
117 HD12 LEU 13 HD12 LEU 13 -8.845 5.939 1.619
118 HD13 LEU 13 HD13 LEU 13 -7.269 5.834 2.404
119 HD21 LEU 13 HD21 LEU 13 -7.730 5.865 -0.572
120 HD22 LEU 13 HD22 LEU 13 -6.738 4.481 -1.025
121 HD23 LEU 13 HD23 LEU 13 -6.130 5.660 0.137
122 H ILE 14 HN ILE 14 -6.607 0.226 1.861
123 HA ILE 14 HA ILE 14 -4.260 -0.187 3.292
124 HB ILE 14 HB ILE 14 -6.205 -2.294 2.332
125 HG12 ILE 14 HG12 ILE 14 -7.264 -0.424 3.580
126 HG13 ILE 14 HG11 ILE 14 -7.360 -1.955 4.432
127 HG21 ILE 14 HG21 ILE 14 -4.127 -3.268 3.129
128 HG22 ILE 14 HG22 ILE 14 -5.427 -3.577 4.279
129 HG23 ILE 14 HG23 ILE 14 -4.232 -2.326 4.618
130 HD11 ILE 14 HD11 ILE 14 -5.498 -1.270 5.861
131 HD12 ILE 14 HD12 ILE 14 -6.854 -0.147 5.956
132 HD13 ILE 14 HD13 ILE 14 -5.427 0.271 5.010
133 H PHE 15 HN PHE 15 -5.298 -1.607 0.208
134 HA PHE 15 HA PHE 15 -2.960 -3.196 -0.122
135 HB2 PHE 15 HB2 PHE 15 -5.055 -2.347 -2.129
136 HB3 PHE 15 HB1 PHE 15 -3.818 -3.565 -2.417
137 HD1 PHE 15 HD1 PHE 15 -3.854 -5.682 -1.090
138 HD2 PHE 15 HD2 PHE 15 -7.021 -2.852 -0.953
139 HE1 PHE 15 HE1 PHE 15 -5.339 -7.395 -0.132
140 HE2 PHE 15 HE2 PHE 15 -8.510 -4.550 0.007
141 HZ PHE 15 HZ PHE 15 -7.672 -6.831 0.418
142 H LEU 16 HN LEU 16 -3.985 -0.056 -1.416
143 HA LEU 16 HA LEU 16 -1.760 0.241 -3.138
144 HB2 LEU 16 HB2 LEU 16 -2.624 2.278 -3.691
145 HB3 LEU 16 HB1 LEU 16 -4.052 1.512 -3.036
146 HG LEU 16 HG LEU 16 -3.426 2.720 -0.834
147 HD11 LEU 16 HD11 LEU 16 -2.148 4.725 -1.065
148 HD12 LEU 16 HD12 LEU 16 -1.979 4.477 -2.803
149 HD13 LEU 16 HD13 LEU 16 -1.174 3.383 -1.676
150 HD21 LEU 16 HD21 LEU 16 -4.675 4.673 -1.547
151 HD22 LEU 16 HD22 LEU 16 -5.365 3.217 -2.266
152 HD23 LEU 16 HD23 LEU 16 -4.356 4.286 -3.237
153 H LEU 17 HN LEU 17 -2.282 0.868 0.241
154 HA LEU 17 HA LEU 17 0.126 2.318 0.684
155 HB2 LEU 17 HB2 LEU 17 -1.988 2.073 2.179
156 HB3 LEU 17 HB1 LEU 17 -1.222 0.605 2.748
157 HG LEU 17 HG LEU 17 0.134 3.293 2.894
158 HD11 LEU 17 HD11 LEU 17 -1.522 1.921 5.004
159 HD12 LEU 17 HD12 LEU 17 -1.971 3.386 4.132
160 HD13 LEU 17 HD13 LEU 17 -0.581 3.397 5.217
161 HD21 LEU 17 HD21 LEU 17 1.466 2.189 4.630
162 HD22 LEU 17 HD22 LEU 17 1.609 1.367 3.078
163 HD23 LEU 17 HD23 LEU 17 0.586 0.688 4.343
164 H GLU 18 HN GLU 18 -0.794 -1.100 0.915
165 HA GLU 18 HA GLU 18 1.621 -2.204 1.743
166 HB2 GLU 18 HB2 GLU 18 -0.378 -3.286 -0.255
167 HB3 GLU 18 HB1 GLU 18 0.923 -4.230 0.454
168 HG2 GLU 18 HG2 GLU 18 -1.312 -2.928 1.991
169 HG3 GLU 18 HG1 GLU 18 -1.247 -4.627 1.525
170 H PHE 19 HN PHE 19 0.527 -1.261 -1.463
171 HA PHE 19 HA PHE 19 2.780 -2.059 -2.927
172 HB2 PHE 19 HB2 PHE 19 0.648 -1.423 -3.972
173 HB3 PHE 19 HB1 PHE 19 0.884 0.240 -3.450
174 HD1 PHE 19 HD2 PHE 19 2.284 -2.421 -5.606
175 HD2 PHE 19 HD1 PHE 19 2.142 1.740 -4.732
176 HE1 PHE 19 HE2 PHE 19 3.514 -1.947 -7.682
177 HE2 PHE 19 HE1 PHE 19 3.373 2.223 -6.805
178 HZ PHE 19 HZ PHE 19 4.061 0.378 -8.283
179 H LEU 20 HN LEU 20 1.991 1.033 -1.358
180 HA LEU 20 HA LEU 20 4.262 2.449 -2.191
181 HB2 LEU 20 HB2 LEU 20 2.635 2.763 0.326
182 HB3 LEU 20 HB1 LEU 20 3.801 3.932 -0.263
183 HG LEU 20 HG LEU 20 1.295 3.104 -1.724
184 HD11 LEU 20 HD11 LEU 20 0.464 5.317 -1.134
185 HD12 LEU 20 HD12 LEU 20 1.924 5.619 -0.192
186 HD13 LEU 20 HD13 LEU 20 0.800 4.354 0.304
187 HD21 LEU 20 HD21 LEU 20 3.329 5.252 -2.310
188 HD22 LEU 20 HD22 LEU 20 1.807 5.024 -3.170
189 HD23 LEU 20 HD23 LEU 20 3.057 3.783 -3.249
190 H LEU 21 HN LEU 21 3.802 0.230 0.492
191 HA LEU 21 HA LEU 21 6.226 0.766 1.846
192 HB2 LEU 21 HB2 LEU 21 4.762 -1.868 1.663
193 HB3 LEU 21 HB1 LEU 21 5.922 -1.404 2.893
194 HG LEU 21 HG LEU 21 3.234 -0.121 2.464
195 HD11 LEU 21 HD11 LEU 21 3.076 -2.410 3.322
196 HD12 LEU 21 HD12 LEU 21 2.582 -1.220 4.526
197 HD13 LEU 21 HD13 LEU 21 4.166 -1.983 4.641
198 HD21 LEU 21 HD21 LEU 21 5.323 0.299 4.599
199 HD22 LEU 21 HD22 LEU 21 3.700 0.987 4.615
200 HD23 LEU 21 HD23 LEU 21 4.844 1.455 3.358
201 H ASP 22 HN ASP 22 5.363 -1.708 -0.536
202 HA ASP 22 HA ASP 22 7.960 -2.777 -0.844
203 HB2 ASP 22 HB2 ASP 22 5.829 -3.872 -1.605
204 HB3 ASP 22 HB1 ASP 22 5.768 -2.713 -2.929
205 H PHE 23 HN PHE 23 6.213 -0.203 -2.439
206 HA PHE 23 HA PHE 23 7.841 0.403 -4.579
207 HB2 PHE 23 HB2 PHE 23 5.587 1.372 -3.953
208 HB3 PHE 23 HB1 PHE 23 6.440 2.437 -2.847
209 HD1 PHE 23 HD2 PHE 23 5.888 1.595 -6.378
210 HD2 PHE 23 HD1 PHE 23 7.616 4.352 -3.638
211 HE1 PHE 23 HE2 PHE 23 6.202 3.208 -8.204
212 HE2 PHE 23 HE1 PHE 23 7.932 5.972 -5.460
213 HZ PHE 23 HZ PHE 23 7.222 5.398 -7.747
214 H CYS 24 HN CYS 24 8.441 0.893 -1.221
215 HA CYS 24 HA CYS 24 10.257 3.046 -1.377
216 HB2 CYS 24 HB2 CYS 24 9.170 2.404 0.712
217 HB3 CYS 24 HB1 CYS 24 10.022 0.864 0.702
218 HG CYS 24 HG CYS 24 12.465 2.809 0.529
219 H THR 25 HN THR 25 10.660 -0.359 -2.039
220 HA THR 25 HA THR 25 13.326 0.131 -2.960
221 HB THR 25 HB THR 25 13.880 -0.111 -0.621
222 HG1 THR 25 HG1 THR 25 15.547 -1.319 -1.100
223 HG21 THR 25 HG21 THR 25 13.441 -2.179 0.621
224 HG22 THR 25 HG22 THR 25 12.514 -2.801 -0.744
225 HG23 THR 25 HG23 THR 25 11.941 -1.386 0.137
226 H GLY 26 HN GLY 26 10.983 -2.381 -2.052
227 HA2 GLY 26 HA2 GLY 26 9.996 -3.870 -3.572
228 HA3 GLY 26 HA1 GLY 26 11.289 -3.526 -4.713
229 H GLU 27 HN GLU 27 10.460 -6.090 -4.265
230 HA GLU 27 HA GLU 27 12.075 -7.529 -2.454
231 HB2 GLU 27 HB2 GLU 27 11.034 -8.406 -5.160
232 HB3 GLU 27 HB1 GLU 27 11.586 -9.466 -3.869
233 HG2 GLU 27 HG2 GLU 27 9.254 -7.589 -3.607
234 HG3 GLU 27 HG1 GLU 27 9.111 -9.273 -4.100
235 H ASP 28 HN ASP 28 12.523 -6.431 -5.762
236 HA ASP 28 HA ASP 28 15.425 -6.622 -5.322
237 HB2 ASP 28 HB2 ASP 28 14.694 -8.281 -7.045
238 HB3 ASP 28 HB1 ASP 28 14.044 -6.951 -8.000
239 H SER 29 HN SER 29 13.063 -5.168 -7.538
240 HA SER 29 HA SER 29 13.872 -2.495 -6.824
241 HB2 SER 29 HB2 SER 29 14.223 -3.457 -9.676
242 HB3 SER 29 HB1 SER 29 14.525 -1.832 -9.065
243 HG SER 29 HG SER 29 15.954 -4.222 -8.468
244 H VAL 30 HN VAL 30 12.374 -0.915 -7.628
245 HA VAL 30 HA VAL 30 9.840 -2.114 -8.559
246 HB VAL 30 HB VAL 30 10.031 0.483 -7.035
247 HG11 VAL 30 HG11 VAL 30 7.955 0.079 -8.256
248 HG12 VAL 30 HG12 VAL 30 7.686 0.040 -6.515
249 HG13 VAL 30 HG13 VAL 30 7.763 -1.466 -7.427
250 HG21 VAL 30 HG21 VAL 30 9.609 -2.265 -5.873
251 HG22 VAL 30 HG22 VAL 30 9.475 -0.742 -4.996
252 HG23 VAL 30 HG23 VAL 30 11.033 -1.251 -5.645
253 H ASP 31 HN ASP 31 12.304 -0.733 -9.846
254 HA ASP 31 HA ASP 31 11.037 1.486 -11.236
255 HB2 ASP 31 HB2 ASP 31 13.196 1.910 -12.188
256 HB3 ASP 31 HB1 ASP 31 13.456 1.519 -10.490
257 H GLY 32 HN GLY 32 11.079 -1.792 -11.512
258 HA2 GLY 32 HA2 GLY 32 9.789 -2.708 -13.403
259 HA3 GLY 32 HA1 GLY 32 10.765 -1.683 -14.444
260 H LYS 33 HN LYS 33 12.917 -2.614 -12.239
261 HA LYS 33 HA LYS 33 13.828 -4.827 -13.894
262 HB2 LYS 33 HB2 LYS 33 15.189 -3.282 -11.685
263 HB3 LYS 33 HB1 LYS 33 15.930 -4.631 -12.530
264 HG2 LYS 33 HG2 LYS 33 14.890 -2.330 -14.111
265 HG3 LYS 33 HG1 LYS 33 16.410 -2.156 -13.238
266 HD2 LYS 33 HD2 LYS 33 16.846 -2.846 -15.516
267 HD3 LYS 33 HD1 LYS 33 17.280 -4.147 -14.410
268 HE2 LYS 33 HE2 LYS 33 15.250 -5.329 -14.935
269 HE3 LYS 33 HE1 LYS 33 14.678 -3.987 -15.924
270 HZ1 LYS 33 HZ1 LYS 33 15.558 -5.698 -17.322
271 HZ2 LYS 33 HZ2 LYS 33 17.015 -5.730 -16.468
272 HZ3 LYS 33 HZ3 LYS 33 16.605 -4.370 -17.387
273 H LYS 34 HN LYS 34 11.585 -5.005 -11.892
274 HA LYS 34 HA LYS 34 12.556 -6.819 -9.897
275 HB2 LYS 34 HB2 LYS 34 10.143 -7.226 -9.436
276 HB3 LYS 34 HB1 LYS 34 10.603 -5.534 -9.346
277 HG2 LYS 34 HG2 LYS 34 9.682 -5.199 -11.611
278 HG3 LYS 34 HG1 LYS 34 9.157 -6.882 -11.619
279 HD2 LYS 34 HD2 LYS 34 8.283 -4.792 -9.626
280 HD3 LYS 34 HD1 LYS 34 7.339 -5.332 -11.015
281 HE2 LYS 34 HE2 LYS 34 8.265 -7.088 -8.746
282 HE3 LYS 34 HE1 LYS 34 6.647 -6.415 -8.909
283 HZ1 LYS 34 HZ1 LYS 34 6.304 -7.680 -10.890
284 HZ2 LYS 34 HZ2 LYS 34 6.851 -8.735 -9.683
285 HZ3 LYS 34 HZ3 LYS 34 7.907 -8.221 -10.897
286 H ARG 35 HN ARG 35 12.824 -8.940 -10.071
287 HA ARG 35 HA ARG 35 12.423 -10.075 -12.729
288 HB2 ARG 35 HB2 ARG 35 14.664 -10.033 -11.515
289 HB3 ARG 35 HB1 ARG 35 13.997 -11.261 -10.452
290 HG2 ARG 35 HG2 ARG 35 13.768 -12.802 -12.256
291 HG3 ARG 35 HG1 ARG 35 14.190 -11.560 -13.437
292 HD2 ARG 35 HD2 ARG 35 15.991 -12.678 -11.291
293 HD3 ARG 35 HD1 ARG 35 16.095 -13.009 -13.019
294 HE ARG 35 HE ARG 35 16.261 -10.212 -12.419
295 HH11 ARG 35 HH11 ARG 35 18.115 -13.178 -12.576
296 HH12 ARG 35 HH12 ARG 35 19.626 -12.367 -12.829
297 HH21 ARG 35 HH21 ARG 35 18.238 -9.141 -12.732
298 HH22 ARG 35 HH22 ARG 35 19.696 -10.062 -12.921
299 H GLN 36 HN GLN 36 11.224 -10.280 -9.542
300 HA GLN 36 HA GLN 36 9.986 -12.883 -10.003
301 HB2 GLN 36 HB2 GLN 36 11.064 -12.555 -7.840
302 HB3 GLN 36 HB1 GLN 36 10.085 -11.126 -7.544
303 HG2 GLN 36 HG2 GLN 36 8.073 -12.506 -7.525
304 HG3 GLN 36 HG1 GLN 36 9.059 -13.937 -7.817
305 HE21 GLN 36 HE21 GLN 36 8.373 -14.897 -5.920
306 HE22 GLN 36 HE22 GLN 36 8.929 -14.376 -4.366