Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
650851 | 6t33 RC | 50027 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 2.763 -0.846 -1.218
3 HB2 TRP 1 2HB TRP 1 0.177 0.228 -2.174
4 HB3 TRP 1 3HB TRP 1 1.544 0.436 -3.266
5 HD1 TRP 1 HD1 TRP 1 0.665 -2.630 -1.053
6 HE1 TRP 1 HE1 TRP 1 0.522 -4.693 -2.586
7 HE3 TRP 1 HE3 TRP 1 1.431 -0.346 -5.562
8 HZ2 TRP 1 HZ2 TRP 1 0.709 -5.275 -5.342
9 HZ3 TRP 1 HZ3 TRP 1 1.435 -1.727 -7.598
10 HH2 TRP 1 HH2 TRP 1 1.082 -4.141 -7.488
11 H GLY 2 H GLY 2 4.546 0.337 -0.694
12 HA2 GLY 2 2HA GLY 2 4.465 3.225 -1.296
13 HA3 GLY 2 3HA GLY 2 5.577 2.471 -0.163
14 H CYS 3 H CYS 3 4.998 3.354 -3.428
15 HA CYS 3 HA CYS 3 7.724 2.539 -4.110
16 HB2 CYS 3 2HB CYS 3 5.418 1.215 -5.082
17 HB3 CYS 3 3HB CYS 3 6.059 2.169 -6.416
18 H VAL 4 H VAL 4 8.775 4.261 -4.825
19 HA VAL 4 HA VAL 4 7.272 6.313 -6.316
20 HB VAL 4 HB VAL 4 7.947 7.080 -4.049
21 HG11 VAL 4 1HG1 VAL 4 10.389 5.838 -4.752
22 HG12 VAL 4 2HG1 VAL 4 10.710 7.561 -4.544
23 HG13 VAL 4 3HG1 VAL 4 9.964 6.638 -3.239
24 HG21 VAL 4 1HG2 VAL 4 8.590 9.213 -4.742
25 HG22 VAL 4 2HG2 VAL 4 9.536 8.592 -6.095
26 HG23 VAL 4 3HG2 VAL 4 7.775 8.545 -6.156
27 H CYS 5 H CYS 5 8.362 7.379 -8.004
28 HA CYS 5 HA CYS 5 10.963 6.293 -8.801
29 HB2 CYS 5 2HB CYS 5 8.585 6.461 -10.664
30 HB3 CYS 5 3HB CYS 5 10.207 5.925 -11.093
31 H SER 6 H SER 6 12.236 7.682 -10.002
32 HA SER 6 HA SER 6 11.379 10.472 -9.952
33 HB2 SER 6 2HB SER 6 13.550 9.975 -8.961
34 HB3 SER 6 3HB SER 6 14.094 9.232 -10.465
35 HG SER 6 HG SER 6 14.606 11.141 -11.147
36 H GLY 7 H GLY 7 9.909 9.434 -11.820
37 HA2 GLY 7 2HA GLY 7 10.794 10.699 -14.221
38 HA3 GLY 7 3HA GLY 7 10.858 8.948 -14.362
39 H SER 8 H SER 8 8.937 7.753 -14.361
40 HA SER 8 HA SER 8 6.466 9.340 -14.583
41 HB2 SER 8 2HB SER 8 7.760 7.796 -16.630
42 HB3 SER 8 3HB SER 8 6.203 7.063 -16.246
43 HG SER 8 HG SER 8 6.368 9.842 -16.597
44 H THR 9 H THR 9 4.506 7.745 -14.618
45 HA THR 9 HA THR 9 4.599 6.318 -12.131
46 HB THR 9 HB THR 9 2.180 5.638 -13.123
47 HG1 THR 9 HG1 THR 9 1.726 6.791 -14.828
48 HG21 THR 9 1HG2 THR 9 1.960 8.343 -12.235
49 HG22 THR 9 2HG2 THR 9 3.227 7.541 -11.306
50 HG23 THR 9 3HG2 THR 9 1.601 6.859 -11.353
51 H ALA 10 H ALA 10 4.407 5.450 -15.544
52 HA ALA 10 HA ALA 10 3.829 2.746 -15.337
53 HB1 ALA 10 1HB ALA 10 3.816 3.297 -17.520
54 HB2 ALA 10 2HB ALA 10 5.118 4.474 -17.341
55 HB3 ALA 10 3HB ALA 10 5.494 2.755 -17.461
56 H VAL 11 H VAL 11 6.920 4.414 -14.997
57 HA VAL 11 HA VAL 11 8.398 1.949 -14.695
58 HB VAL 11 HB VAL 11 9.478 3.883 -15.732
59 HG11 VAL 11 1HG1 VAL 11 10.109 5.831 -14.363
60 HG12 VAL 11 2HG1 VAL 11 8.360 5.668 -14.531
61 HG13 VAL 11 3HG1 VAL 11 9.151 5.185 -13.030
62 HG21 VAL 11 1HG2 VAL 11 11.401 3.054 -14.995
63 HG22 VAL 11 2HG2 VAL 11 11.204 3.887 -13.453
64 HG23 VAL 11 3HG2 VAL 11 10.534 2.271 -13.674
65 H ALA 12 H ALS 12 6.931 4.355 -12.636
66 HB1 ALA 12 1HB ALS 12 5.358 4.607 -10.545
67 HB2 ALA 12 2HB ALS 12 6.385 4.867 -9.134
68 HB3 ALA 12 3HB ALS 12 6.714 5.731 -10.636
69 H ASN 13 H ASN 13 5.276 2.385 -11.546
70 HA ASN 13 HA ASN 13 5.056 0.520 -9.367
71 HB2 ASN 13 2HB ASN 13 3.056 -0.194 -10.359
72 HB3 ASN 13 3HB ASN 13 3.144 1.510 -10.796
73 HD21 ASN 13 1HD2 ASN 13 3.831 2.057 -12.929
74 HD22 ASN 13 2HD2 ASN 13 3.599 0.944 -14.230
75 H SER 14 H SER 14 6.513 0.569 -12.509
76 HA SER 14 HA SER 14 6.642 -2.108 -13.171
77 HB2 SER 14 2HB SER 14 7.454 -0.420 -14.697
78 HB3 SER 14 3HB SER 14 8.721 0.056 -13.566
79 HG SER 14 HG SER 14 8.878 -1.756 -15.453
80 H HIS 15 H HIS 15 8.547 -0.309 -10.831
81 HA HIS 15 HA HIS 15 10.163 -2.667 -10.232
82 HB2 HIS 15 2HB HIS 15 10.598 0.142 -10.092
83 HB3 HIS 15 3HB HIS 15 10.724 -0.502 -8.457
84 HD1 HIS 15 HD1 HIS 15 12.591 -2.318 -8.053
85 HD2 HIS 15 HD2 HIS 15 12.706 -0.460 -11.767
86 HE1 HIS 15 HE1 HIS 15 14.858 -2.853 -9.003
87 H ASN 16 H NSS 16 8.356 -0.261 -8.308
88 HB2 ASN 16 2HB NSS 16 6.023 -2.066 -8.055
89 HB3 ASN 16 3HB NSS 16 6.463 -3.238 -6.816
90 HD21 ASN 16 1HD2 NSS 16 4.809 -0.183 -7.370
91 HD22 ASN 16 2HD2 NSS 16 3.713 -0.326 -6.042
92 H ALA 17 H ALA 17 6.785 -2.435 -4.533
93 HA ALA 17 HA ALA 17 8.986 -4.130 -4.006
94 HB1 ALA 17 1HB ALA 17 10.385 -2.923 -2.752
95 HB2 ALA 17 2HB ALA 17 9.583 -1.511 -3.441
96 HB3 ALA 17 3HB ALA 17 9.068 -2.142 -1.877
97 H GLY 18 H GLY 18 6.775 -2.052 -2.114
98 HA2 GLY 18 2HA GLY 18 4.756 -3.594 -1.423
99 HA3 GLY 18 3HA GLY 18 6.031 -4.382 -0.507
100 HA PRO 19 HA PRO 19 4.103 -0.687 1.787
101 HB2 PRO 19 2HB PRO 19 2.638 -2.081 3.599
102 HB3 PRO 19 3HB PRO 19 1.991 -1.555 2.041
103 HG2 PRO 19 2HG PRO 19 3.047 -4.238 2.846
104 HG3 PRO 19 3HG PRO 19 1.608 -3.844 1.888
105 HD2 PRO 19 2HD PRO 19 3.933 -4.651 0.759
106 HD3 PRO 19 3HD PRO 19 2.827 -3.516 -0.041
107 H ALA 20 H ALA 20 5.687 -3.667 2.565
108 HA ALA 20 HA ALA 20 6.497 -2.735 5.207
109 HB1 ALA 20 1HB ALA 20 5.895 -5.036 5.115
110 HB2 ALA 20 2HB ALA 20 6.963 -5.323 3.740
111 HB3 ALA 20 3HB ALA 20 7.645 -4.960 5.326
112 H TYR 21 H TYR 21 7.720 -2.980 1.976
113 HA TYR 21 HA TYR 21 10.429 -2.309 2.894
114 HB2 TYR 21 2HB TYR 21 9.556 -3.128 0.118
115 HB3 TYR 21 3HB TYR 21 11.208 -2.982 0.709
116 HD1 TYR 21 HD1 TYR 21 12.208 -4.717 2.044
117 HD2 TYR 21 HD2 TYR 21 8.142 -5.008 0.824
118 HE1 TYR 21 HE1 TYR 21 12.184 -7.085 2.708
119 HE2 TYR 21 HE2 TYR 21 8.107 -7.377 1.486
120 HH TYR 21 HH TYR 21 10.844 -8.868 3.123
121 H CYS 22 H CYS 22 11.578 -0.583 1.893
122 HA CYS 22 HA CYS 22 9.848 1.447 0.640
123 HB2 CYS 22 2HB CYS 22 12.001 1.828 2.726
124 HB3 CYS 22 3HB CYS 22 11.304 3.152 1.799
125 H VAL 23 H VAL 23 10.496 2.045 -1.313
126 HA VAL 23 HA VAL 23 13.356 1.812 -1.986
127 HB VAL 23 HB VAL 23 11.034 1.226 -3.829
128 HG11 VAL 23 1HG1 VAL 23 12.546 1.878 -5.369
129 HG12 VAL 23 2HG1 VAL 23 13.912 1.675 -4.270
130 HG13 VAL 23 3HG1 VAL 23 13.222 0.274 -5.089
131 HG21 VAL 23 1HG2 VAL 23 11.292 -0.570 -2.260
132 HG22 VAL 23 2HG2 VAL 23 11.960 -1.088 -3.808
133 HG23 VAL 23 3HG2 VAL 23 13.039 -0.595 -2.503
134 H GLY 24 H GLY 24 14.263 3.475 -3.117
135 HA2 GLY 24 2HA GLY 24 12.473 5.664 -3.957
136 HA3 GLY 24 3HA GLY 24 13.896 5.992 -2.979
137 H TYR 25 H TYR 25 12.687 5.320 -6.137
138 HA TYR 25 HA TYR 25 15.204 4.835 -7.390
139 HB2 TYR 25 2HB TYR 25 12.660 4.436 -8.170
140 HB3 TYR 25 3HB TYR 25 12.975 5.959 -8.994
141 HD1 TYR 25 HD1 TYR 25 13.631 5.749 -11.187
142 HD2 TYR 25 HD2 TYR 25 14.807 2.746 -8.412
143 HE1 TYR 25 HE1 TYR 25 14.780 4.539 -12.993
144 HE2 TYR 25 HE2 TYR 25 15.960 1.528 -10.211
145 HH TYR 25 HH TYR 25 15.751 2.579 -13.569
146 H CYS 26 H CYS 26 16.759 6.293 -7.579
147 HA CYS 26 HA CYS 26 16.006 9.107 -8.029
148 HB2 CYS 26 2HB CYS 26 18.293 7.915 -6.471
149 HB3 CYS 26 3HB CYS 26 18.322 9.584 -7.030
150 H GLY 27 H GLY 27 17.945 10.346 -9.050
151 HA2 GLY 27 2HA GLY 27 19.284 8.680 -11.070
152 HA3 GLY 27 3HA GLY 27 18.301 10.038 -11.597
153 H ASN 28 H ASN 28 19.668 11.534 -12.328
154 HA ASN 28 HA ASN 28 22.071 12.129 -10.738
155 HB2 ASN 28 2HB ASN 28 23.017 13.102 -12.764
156 HB3 ASN 28 3HB ASN 28 22.480 11.454 -13.080
157 HD21 ASN 28 1HD2 ASN 28 22.920 13.283 -15.100
158 HD22 ASN 28 2HD2 ASN 28 21.413 13.672 -15.850
159 H ASN 29 H ASN 29 19.671 13.123 -9.796
160 HA ASN 29 HA ASN 29 19.571 15.922 -10.646
161 HB2 ASN 29 2HB ASN 29 17.759 14.413 -8.749
162 HB3 ASN 29 3HB ASN 29 17.510 16.057 -9.327
163 HD21 ASN 29 1HD2 ASN 29 16.420 13.068 -9.684
164 HD22 ASN 29 2HD2 ASN 29 15.941 13.090 -11.344
165 H GLY 30 H GLY 30 20.414 13.891 -7.924
166 HA2 GLY 30 2HA GLY 30 22.288 15.325 -6.709
167 HA3 GLY 30 3HA GLY 30 20.853 16.198 -6.194
168 H VAL 31 H VAL 31 22.758 14.785 -4.540
169 HA VAL 31 HA VAL 31 21.927 12.265 -3.713
170 HB VAL 31 HB VAL 31 23.044 14.443 -1.942
171 HG11 VAL 31 1HG1 VAL 31 22.333 11.663 -1.496
172 HG12 VAL 31 2HG1 VAL 31 24.021 12.000 -1.106
173 HG13 VAL 31 3HG1 VAL 31 22.734 12.928 -0.335
174 HG21 VAL 31 1HG2 VAL 31 24.706 14.320 -3.492
175 HG22 VAL 31 2HG2 VAL 31 25.177 12.951 -2.486
176 HG23 VAL 31 3HG2 VAL 31 24.282 12.679 -3.981
177 H VAL 32 H VAL 32 20.744 15.458 -2.779
178 HA VAL 32 HA VAL 32 19.119 14.761 -0.639
179 HB VAL 32 HB VAL 32 18.584 16.881 -2.725
180 HG11 VAL 32 1HG1 VAL 32 17.417 16.373 -0.004
181 HG12 VAL 32 2HG1 VAL 32 17.366 17.962 -0.770
182 HG13 VAL 32 3HG1 VAL 32 16.575 16.585 -1.539
183 HG21 VAL 32 1HG2 VAL 32 19.518 18.227 -0.602
184 HG22 VAL 32 2HG2 VAL 32 20.410 16.718 -0.407
185 HG23 VAL 32 3HG2 VAL 32 20.554 17.639 -1.903
186 H THR 33 H THR 33 18.249 14.962 -4.087
187 HA THR 33 HA THR 33 15.586 14.222 -3.894
188 HB THR 33 HB THR 33 17.015 13.076 -6.208
189 HG1 THR 33 HG1 THR 33 18.127 14.808 -6.671
190 HG21 THR 33 1HG2 THR 33 14.946 15.232 -6.300
191 HG22 THR 33 2HG2 THR 33 14.480 13.602 -5.814
192 HG23 THR 33 3HG2 THR 33 15.204 13.876 -7.398
193 H ARG 34 H RSS 34 18.429 12.128 -4.327
194 HB2 ARG 34 2HB RSS 34 19.533 9.825 -4.878
195 HB3 ARG 34 3HB RSS 34 19.792 10.418 -3.243
196 HG2 ARG 34 2HG RSS 34 18.488 7.792 -3.430
197 HG3 ARG 34 3HG RSS 34 20.153 7.859 -4.010
198 HD2 ARG 34 2HD RSS 34 20.773 8.957 -1.852
199 HD3 ARG 34 3HD RSS 34 19.130 8.653 -1.289
200 HE ARG 34 HE RSS 34 19.703 6.471 -0.928
201 HH11 ARG 34 1HH2 RSS 34 21.092 4.662 -0.881
202 HH12 ARG 34 2HH2 RSS 34 22.572 4.701 -1.777
203 HH21 ARG 34 1HH1 RSS 34 22.067 7.927 -3.028
204 HH22 ARG 34 2HH1 RSS 34 23.128 6.558 -2.999
205 H ASN 35 H ASN 35 17.654 11.669 -1.718
206 HA ASN 35 HA ASN 35 16.904 9.587 0.137
207 HB2 ASN 35 2HB ASN 35 17.346 12.557 0.504
208 HB3 ASN 35 3HB ASN 35 16.973 11.444 1.817
209 HD21 ASN 35 1HD2 ASN 35 19.401 13.043 0.411
210 HD22 ASN 35 2HD2 ASN 35 20.722 11.988 0.770
211 H ALA 36 H ALA 36 15.434 12.545 -1.159
212 HA ALA 36 HA ALA 36 13.065 12.553 0.269
213 HB1 ALA 36 1HB ALA 36 12.183 13.519 -2.056
214 HB2 ALA 36 2HB ALA 36 13.225 14.443 -0.972
215 HB3 ALA 36 3HB ALA 36 13.918 13.606 -2.361
216 H ASN 37 H ASN 37 13.883 10.767 -2.674
217 HA ASN 37 HA ASN 37 11.362 9.740 -3.271
218 HB2 ASN 37 2HB ASN 37 14.149 8.715 -3.764
219 HB3 ASN 37 3HB ASN 37 12.736 7.800 -4.283
220 HD21 ASN 37 1HD2 ASN 37 11.735 8.355 -6.116
221 HD22 ASN 37 2HD2 ASN 37 12.144 9.724 -7.088
222 H ALA 38 H ALA 38 13.991 8.058 -1.536
223 HA ALA 38 HA ALA 38 12.505 5.850 -0.723
224 HB1 ALA 38 1HB ALA 38 14.940 7.168 0.440
225 HB2 ALA 38 2HB ALA 38 14.241 5.707 1.138
226 HB3 ALA 38 3HB ALA 38 14.837 5.693 -0.522
227 H ASN 39 H ASN 39 12.556 9.086 0.509
228 HA ASN 39 HA ASN 39 11.498 8.528 3.089
229 HB2 ASN 39 2HB ASN 39 12.198 10.877 1.527
230 HB3 ASN 39 3HB ASN 39 10.707 11.120 2.433
231 HD21 ASN 39 1HD2 ASN 39 13.691 11.942 2.628
232 HD22 ASN 39 2HD2 ASN 39 14.029 11.742 4.311
233 H VAL 40 H VAL 40 10.096 9.077 -0.065
234 HA VAL 40 HA VAL 40 7.412 9.414 0.904
235 HB VAL 40 HB VAL 40 8.323 8.753 -1.899
236 HG11 VAL 40 1HG1 VAL 40 5.974 8.316 -1.587
237 HG12 VAL 40 2HG1 VAL 40 5.745 9.892 -0.827
238 HG13 VAL 40 3HG1 VAL 40 6.166 9.790 -2.537
239 HG21 VAL 40 1HG2 VAL 40 8.417 11.234 -0.337
240 HG22 VAL 40 2HG2 VAL 40 9.312 10.768 -1.784
241 HG23 VAL 40 3HG2 VAL 40 7.669 11.392 -1.926
242 H ALA 41 H ALA 41 9.403 6.754 -0.168
243 HA ALA 41 HA ALA 41 7.183 4.907 -0.343
244 HB1 ALA 41 1HB ALA 41 8.908 4.485 -1.886
245 HB2 ALA 41 2HB ALA 41 10.157 4.597 -0.645
246 HB3 ALA 41 3HB ALA 41 9.054 3.221 -0.665
247 H LYS 42 H KSS 42 10.051 5.276 1.739
248 HB2 LYS 42 2HB KSS 42 11.044 4.301 5.021
249 HB3 LYS 42 3HB KSS 42 11.601 4.727 3.408
250 HG2 LYS 42 2HG KSS 42 10.453 6.885 3.593
251 HG3 LYS 42 3HG KSS 42 9.933 6.457 5.225
252 HD2 LYS 42 2HD KSS 42 12.827 6.522 4.399
253 HD3 LYS 42 3HD KSS 42 11.987 7.931 5.051
254 HE2 LYS 42 2HE KSS 42 12.156 7.165 7.137
255 HE3 LYS 42 3HE KSS 42 11.544 5.578 6.676
256 HZ1 LYS 42 1HZ KSS 42 13.634 4.764 6.344
257 HZ2 LYS 42 2HZ KSS 42 13.961 5.871 7.581
258 HZ3 LYS 42 3HZ KSS 42 14.304 6.273 5.974
259 H THR 43 H THR 43 8.064 6.349 3.336
260 HA THR 43 HA THR 43 6.696 6.009 5.868
261 HB THR 43 HB THR 43 6.317 8.148 3.764
262 HG1 THR 43 HG1 THR 43 8.203 8.766 4.508
263 HG21 THR 43 1HG2 THR 43 4.389 8.044 5.184
264 HG22 THR 43 2HG2 THR 43 5.360 9.424 5.697
265 HG23 THR 43 3HG2 THR 43 5.394 7.926 6.627
266 H ALA 44 H ALA 44 5.995 5.741 2.438
267 HA ALA 44 HA ALA 44 3.204 5.605 2.553
268 HB1 ALA 44 1HB ALA 44 3.734 3.993 0.463
269 HB2 ALA 44 2HB ALA 44 3.811 5.754 0.387
270 HB3 ALA 44 3HB ALA 44 5.286 4.816 0.623
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.366 0.746 0.708
2 HA TRP 1 HA TRP 1 3.092 -0.659 -1.223
3 HB2 TRP 1 2HB TRP 1 0.429 0.525 -1.467
4 HB3 TRP 1 3HB TRP 1 1.543 1.074 -2.715
5 HD1 TRP 1 HD1 TRP 1 0.843 -2.431 -1.167
6 HE1 TRP 1 HE1 TRP 1 0.568 -4.100 -3.107
7 HE3 TRP 1 HE3 TRP 1 1.463 0.780 -5.097
8 HZ2 TRP 1 HZ2 TRP 1 0.608 -4.061 -5.929
9 HZ3 TRP 1 HZ3 TRP 1 1.330 -0.116 -7.384
10 HH2 TRP 1 HH2 TRP 1 0.912 -2.487 -7.790
11 H GLY 2 H GLY 2 4.996 0.398 -0.612
12 HA2 GLY 2 2HA GLY 2 5.029 3.315 -1.062
13 HA3 GLY 2 3HA GLY 2 6.167 2.450 -0.040
14 H CYS 3 H CYS 3 5.289 3.281 -3.307
15 HA CYS 3 HA CYS 3 7.996 2.559 -4.163
16 HB2 CYS 3 2HB CYS 3 5.838 0.993 -4.838
17 HB3 CYS 3 3HB CYS 3 5.963 2.076 -6.220
18 H VAL 4 H VAL 4 8.924 4.318 -4.951
19 HA VAL 4 HA VAL 4 7.277 6.218 -6.486
20 HB VAL 4 HB VAL 4 7.830 7.126 -4.243
21 HG11 VAL 4 1HG1 VAL 4 9.946 6.040 -3.849
22 HG12 VAL 4 2HG1 VAL 4 10.672 6.877 -5.222
23 HG13 VAL 4 3HG1 VAL 4 10.173 7.788 -3.796
24 HG21 VAL 4 1HG2 VAL 4 7.572 8.519 -6.352
25 HG22 VAL 4 2HG2 VAL 4 8.412 9.280 -5.002
26 HG23 VAL 4 3HG2 VAL 4 9.331 8.639 -6.363
27 H CYS 5 H CYS 5 8.298 7.287 -8.206
28 HA CYS 5 HA CYS 5 10.998 6.389 -8.912
29 HB2 CYS 5 2HB CYS 5 8.698 6.370 -10.873
30 HB3 CYS 5 3HB CYS 5 10.349 5.835 -11.169
31 H SER 6 H SER 6 12.231 7.893 -9.933
32 HA SER 6 HA SER 6 11.210 10.596 -9.985
33 HB2 SER 6 2HB SER 6 13.651 11.019 -10.818
34 HB3 SER 6 3HB SER 6 13.382 10.540 -9.143
35 HG SER 6 HG SER 6 15.025 9.287 -10.046
36 H GLY 7 H GLY 7 9.633 9.924 -11.729
37 HA2 GLY 7 2HA GLY 7 10.354 11.085 -14.169
38 HA3 GLY 7 3HA GLY 7 10.502 9.343 -14.349
39 H SER 8 H SER 8 8.669 8.068 -14.405
40 HA SER 8 HA SER 8 6.100 9.511 -14.405
41 HB2 SER 8 2HB SER 8 7.210 8.653 -16.682
42 HB3 SER 8 3HB SER 8 6.425 7.152 -16.193
43 HG SER 8 HG SER 8 4.559 7.995 -16.666
44 H THR 9 H THR 9 4.242 7.771 -14.453
45 HA THR 9 HA THR 9 4.532 6.267 -12.022
46 HB THR 9 HB THR 9 2.189 6.340 -13.933
47 HG1 THR 9 HG1 THR 9 2.723 7.869 -11.583
48 HG21 THR 9 1HG2 THR 9 1.509 5.918 -11.182
49 HG22 THR 9 2HG2 THR 9 2.699 4.717 -11.683
50 HG23 THR 9 3HG2 THR 9 1.187 4.886 -12.575
51 H ALA 10 H ALA 10 4.251 5.531 -15.458
52 HA ALA 10 HA ALA 10 3.836 2.790 -15.345
53 HB1 ALA 10 1HB ALA 10 4.432 2.715 -17.581
54 HB2 ALA 10 2HB ALA 10 3.939 4.396 -17.373
55 HB3 ALA 10 3HB ALA 10 5.652 3.976 -17.405
56 H VAL 11 H VAL 11 6.814 4.635 -14.991
57 HA VAL 11 HA VAL 11 8.463 2.260 -14.896
58 HB VAL 11 HB VAL 11 9.393 4.296 -15.859
59 HG11 VAL 11 1HG1 VAL 11 9.943 6.213 -14.371
60 HG12 VAL 11 2HG1 VAL 11 8.212 5.979 -14.621
61 HG13 VAL 11 3HG1 VAL 11 8.964 5.461 -13.112
62 HG21 VAL 11 1HG2 VAL 11 10.623 2.642 -13.998
63 HG22 VAL 11 2HG2 VAL 11 11.424 3.696 -15.163
64 HG23 VAL 11 3HG2 VAL 11 11.106 4.271 -13.527
65 H ALA 12 H ALS 12 6.888 4.417 -12.661
66 HB1 ALA 12 1HB ALS 12 5.447 4.595 -10.539
67 HB2 ALA 12 2HB ALS 12 6.474 4.719 -9.110
68 HB3 ALA 12 3HB ALS 12 6.811 5.714 -10.526
69 H ASN 13 H ASN 13 5.326 2.420 -11.613
70 HA ASN 13 HA ASN 13 5.155 0.445 -9.548
71 HB2 ASN 13 2HB ASN 13 3.190 -0.289 -10.608
72 HB3 ASN 13 3HB ASN 13 3.233 1.439 -10.946
73 HD21 ASN 13 1HD2 ASN 13 3.913 2.129 -13.035
74 HD22 ASN 13 2HD2 ASN 13 3.734 1.085 -14.400
75 H SER 14 H SER 14 6.615 0.633 -12.692
76 HA SER 14 HA SER 14 6.824 -2.023 -13.419
77 HB2 SER 14 2HB SER 14 8.192 0.452 -14.075
78 HB3 SER 14 3HB SER 14 9.299 -0.920 -14.101
79 HG SER 14 HG SER 14 7.311 -0.267 -15.834
80 H HIS 15 H HIS 15 8.725 -0.206 -11.080
81 HA HIS 15 HA HIS 15 10.364 -2.561 -10.514
82 HB2 HIS 15 2HB HIS 15 11.048 0.067 -10.655
83 HB3 HIS 15 3HB HIS 15 10.779 -0.110 -8.923
84 HD1 HIS 15 HD1 HIS 15 13.226 -0.764 -11.556
85 HD2 HIS 15 HD2 HIS 15 12.471 -2.141 -7.709
86 HE1 HIS 15 HE1 HIS 15 15.339 -1.916 -10.827
87 H ASN 16 H NSS 16 8.593 -0.124 -8.597
88 HB2 ASN 16 2HB NSS 16 6.291 -1.952 -8.240
89 HB3 ASN 16 3HB NSS 16 6.778 -3.085 -6.982
90 HD21 ASN 16 1HD2 NSS 16 5.092 -0.046 -7.554
91 HD22 ASN 16 2HD2 NSS 16 4.022 -0.177 -6.204
92 H ALA 17 H ALA 17 7.144 -2.218 -4.730
93 HA ALA 17 HA ALA 17 9.453 -3.809 -4.224
94 HB1 ALA 17 1HB ALA 17 10.105 -1.330 -3.725
95 HB2 ALA 17 2HB ALA 17 9.193 -1.597 -2.239
96 HB3 ALA 17 3HB ALA 17 10.583 -2.615 -2.615
97 H GLY 18 H GLY 18 7.210 -1.936 -2.167
98 HA2 GLY 18 2HA GLY 18 5.263 -3.700 -1.607
99 HA3 GLY 18 3HA GLY 18 6.594 -4.329 -0.646
100 HA PRO 19 HA PRO 19 4.201 -0.853 1.547
101 HB2 PRO 19 2HB PRO 19 2.867 -2.384 3.349
102 HB3 PRO 19 3HB PRO 19 2.199 -1.959 1.769
103 HG2 PRO 19 2HG PRO 19 3.542 -4.489 2.638
104 HG3 PRO 19 3HG PRO 19 2.089 -4.278 1.643
105 HD2 PRO 19 2HD PRO 19 4.518 -4.823 0.577
106 HD3 PRO 19 3HD PRO 19 3.306 -3.835 -0.264
107 H ALA 20 H ALA 20 6.163 -3.568 2.357
108 HA ALA 20 HA ALA 20 6.847 -2.416 4.969
109 HB1 ALA 20 1HB ALA 20 6.965 -5.142 3.818
110 HB2 ALA 20 2HB ALA 20 8.214 -4.702 4.983
111 HB3 ALA 20 3HB ALA 20 6.513 -4.611 5.438
112 H TYR 21 H TYR 21 8.075 -2.979 1.782
113 HA TYR 21 HA TYR 21 10.773 -2.174 2.617
114 HB2 TYR 21 2HB TYR 21 9.887 -3.298 -0.046
115 HB3 TYR 21 3HB TYR 21 11.545 -3.028 0.480
116 HD1 TYR 21 HD1 TYR 21 8.542 -5.110 0.973
117 HD2 TYR 21 HD2 TYR 21 12.663 -4.598 1.895
118 HE1 TYR 21 HE1 TYR 21 8.615 -7.393 1.886
119 HE2 TYR 21 HE2 TYR 21 12.748 -6.879 2.810
120 HH TYR 21 HH TYR 21 9.932 -9.022 2.668
121 H CYS 22 H CYS 22 11.681 -0.305 1.945
122 HA CYS 22 HA CYS 22 9.988 1.486 0.339
123 HB2 CYS 22 2HB CYS 22 12.175 2.139 2.325
124 HB3 CYS 22 3HB CYS 22 11.278 3.329 1.387
125 H VAL 23 H VAL 23 10.735 2.377 -1.509
126 HA VAL 23 HA VAL 23 13.568 2.064 -2.193
127 HB VAL 23 HB VAL 23 11.311 1.230 -4.021
128 HG11 VAL 23 1HG1 VAL 23 12.732 1.560 -5.693
129 HG12 VAL 23 2HG1 VAL 23 13.989 2.073 -4.565
130 HG13 VAL 23 3HG1 VAL 23 13.814 0.367 -4.977
131 HG21 VAL 23 1HG2 VAL 23 12.183 -1.019 -3.798
132 HG22 VAL 23 2HG2 VAL 23 13.456 -0.447 -2.719
133 HG23 VAL 23 3HG2 VAL 23 11.769 -0.379 -2.208
134 H GLY 24 H GLY 24 14.331 3.983 -2.770
135 HA2 GLY 24 2HA GLY 24 12.466 5.919 -3.991
136 HA3 GLY 24 3HA GLY 24 13.858 6.360 -3.013
137 H TYR 25 H TYR 25 12.718 5.544 -6.155
138 HA TYR 25 HA TYR 25 15.176 5.015 -7.427
139 HB2 TYR 25 2HB TYR 25 12.614 4.867 -8.221
140 HB3 TYR 25 3HB TYR 25 13.051 6.397 -8.974
141 HD1 TYR 25 HD1 TYR 25 13.705 6.246 -11.172
142 HD2 TYR 25 HD2 TYR 25 14.600 3.013 -8.555
143 HE1 TYR 25 HE1 TYR 25 14.752 5.034 -13.038
144 HE2 TYR 25 HE2 TYR 25 15.650 1.791 -10.414
145 HH TYR 25 HH TYR 25 15.966 3.252 -13.626
146 H CYS 26 H CYS 26 16.855 6.344 -7.498
147 HA CYS 26 HA CYS 26 16.361 9.199 -8.029
148 HB2 CYS 26 2HB CYS 26 18.465 8.015 -6.206
149 HB3 CYS 26 3HB CYS 26 18.350 9.718 -6.640
150 H GLY 27 H GLY 27 17.194 9.812 -9.907
151 HA2 GLY 27 2HA GLY 27 19.822 8.852 -10.716
152 HA3 GLY 27 3HA GLY 27 18.489 8.434 -11.782
153 H ASN 28 H ASN 28 20.952 10.402 -11.696
154 HA ASN 28 HA ASN 28 21.494 12.376 -12.685
155 HB2 ASN 28 2HB ASN 28 18.737 12.283 -13.919
156 HB3 ASN 28 3HB ASN 28 20.148 13.144 -14.525
157 HD21 ASN 28 1HD2 ASN 28 18.637 11.316 -16.017
158 HD22 ASN 28 2HD2 ASN 28 19.642 9.962 -16.393
159 H ASN 29 H ASN 29 20.448 12.486 -10.081
160 HA ASN 29 HA ASN 29 19.306 15.188 -10.113
161 HB2 ASN 29 2HB ASN 29 18.378 13.154 -8.098
162 HB3 ASN 29 3HB ASN 29 17.638 14.693 -8.528
163 HD21 ASN 29 1HD2 ASN 29 17.100 11.566 -8.676
164 HD22 ASN 29 2HD2 ASN 29 16.244 11.438 -10.172
165 H GLY 30 H GLY 30 20.517 12.679 -7.875
166 HA2 GLY 30 2HA GLY 30 22.828 13.441 -6.983
167 HA3 GLY 30 3HA GLY 30 21.893 14.797 -6.369
168 H VAL 31 H VAL 31 22.923 13.889 -4.340
169 HA VAL 31 HA VAL 31 21.895 11.452 -3.264
170 HB VAL 31 HB VAL 31 23.208 13.753 -1.811
171 HG11 VAL 31 1HG1 VAL 31 23.839 11.532 -0.410
172 HG12 VAL 31 2HG1 VAL 31 22.467 12.577 -0.036
173 HG13 VAL 31 3HG1 VAL 31 22.225 11.106 -0.978
174 HG21 VAL 31 1HG2 VAL 31 24.638 12.891 -3.582
175 HG22 VAL 31 2HG2 VAL 31 25.269 12.434 -1.999
176 HG23 VAL 31 3HG2 VAL 31 24.413 11.247 -2.984
177 H VAL 32 H VAL 32 21.154 14.885 -2.780
178 HA VAL 32 HA VAL 32 19.333 14.712 -0.713
179 HB VAL 32 HB VAL 32 19.183 16.561 -3.099
180 HG11 VAL 32 1HG1 VAL 32 18.015 18.059 -1.434
181 HG12 VAL 32 2HG1 VAL 32 17.095 16.657 -1.986
182 HG13 VAL 32 3HG1 VAL 32 17.861 16.641 -0.397
183 HG21 VAL 32 1HG2 VAL 32 20.655 16.723 -0.483
184 HG22 VAL 32 2HG2 VAL 32 21.304 16.866 -2.117
185 HG23 VAL 32 3HG2 VAL 32 20.294 18.151 -1.454
186 H THR 33 H THR 33 18.580 14.656 -4.200
187 HA THR 33 HA THR 33 15.847 14.189 -3.980
188 HB THR 33 HB THR 33 17.218 12.826 -6.223
189 HG1 THR 33 HG1 THR 33 18.589 14.473 -6.340
190 HG21 THR 33 1HG2 THR 33 15.393 15.010 -6.813
191 HG22 THR 33 2HG2 THR 33 14.689 13.831 -5.705
192 HG23 THR 33 3HG2 THR 33 15.304 13.311 -7.274
193 H ARG 34 H RSS 34 18.516 11.857 -4.214
194 HB2 ARG 34 2HB RSS 34 19.458 9.450 -4.595
195 HB3 ARG 34 3HB RSS 34 19.694 10.111 -2.983
196 HG2 ARG 34 2HG RSS 34 18.172 7.645 -2.938
197 HG3 ARG 34 3HG RSS 34 19.753 7.447 -3.696
198 HD2 ARG 34 2HD RSS 34 19.716 9.026 -1.209
199 HD3 ARG 34 3HD RSS 34 19.319 7.317 -1.032
200 HE ARG 34 HE RSS 34 21.591 7.400 -2.583
201 HH11 ARG 34 1HH2 RSS 34 23.689 7.163 -1.720
202 HH12 ARG 34 2HH2 RSS 34 23.974 7.547 -0.056
203 HH21 ARG 34 1HH1 RSS 34 20.663 8.461 0.600
204 HH22 ARG 34 2HH1 RSS 34 22.254 8.284 1.265
205 H ASN 35 H ASN 35 17.599 11.600 -1.623
206 HA ASN 35 HA ASN 35 16.602 9.683 0.295
207 HB2 ASN 35 2HB ASN 35 17.267 12.623 0.555
208 HB3 ASN 35 3HB ASN 35 16.780 11.590 1.895
209 HD21 ASN 35 1HD2 ASN 35 19.353 12.969 0.534
210 HD22 ASN 35 2HD2 ASN 35 20.585 11.834 0.957
211 H ALA 36 H ALA 36 15.446 12.662 -1.239
212 HA ALA 36 HA ALA 36 13.041 12.983 0.086
213 HB1 ALA 36 1HB ALA 36 12.707 14.622 -1.390
214 HB2 ALA 36 2HB ALA 36 14.282 14.186 -2.055
215 HB3 ALA 36 3HB ALA 36 12.811 13.521 -2.765
216 H ASN 37 H ASN 37 13.738 10.986 -2.766
217 HA ASN 37 HA ASN 37 11.100 10.086 -3.180
218 HB2 ASN 37 2HB ASN 37 13.795 8.995 -3.970
219 HB3 ASN 37 3HB ASN 37 12.304 8.153 -4.381
220 HD21 ASN 37 1HD2 ASN 37 12.020 8.452 -6.477
221 HD22 ASN 37 2HD2 ASN 37 12.059 9.975 -7.292
222 H ALA 38 H ALA 38 13.851 8.526 -1.539
223 HA ALA 38 HA ALA 38 12.537 6.207 -0.726
224 HB1 ALA 38 1HB ALA 38 14.296 6.023 0.991
225 HB2 ALA 38 2HB ALA 38 14.943 6.419 -0.602
226 HB3 ALA 38 3HB ALA 38 14.796 7.675 0.628
227 H ASN 39 H ASN 39 12.373 9.439 0.516
228 HA ASN 39 HA ASN 39 11.352 8.796 3.094
229 HB2 ASN 39 2HB ASN 39 11.753 11.235 1.483
230 HB3 ASN 39 3HB ASN 39 10.422 11.316 2.634
231 HD21 ASN 39 1HD2 ASN 39 13.119 12.606 2.503
232 HD22 ASN 39 2HD2 ASN 39 13.830 12.286 4.046
233 H VAL 40 H VAL 40 9.917 9.322 -0.055
234 HA VAL 40 HA VAL 40 7.219 9.471 0.918
235 HB VAL 40 HB VAL 40 8.237 8.978 -1.884
236 HG11 VAL 40 1HG1 VAL 40 5.862 9.993 -2.341
237 HG12 VAL 40 2HG1 VAL 40 6.057 8.268 -2.023
238 HG13 VAL 40 3HG1 VAL 40 5.510 9.346 -0.738
239 HG21 VAL 40 1HG2 VAL 40 8.948 11.105 -1.598
240 HG22 VAL 40 2HG2 VAL 40 7.256 11.481 -1.922
241 HG23 VAL 40 3HG2 VAL 40 7.841 11.411 -0.259
242 H ALA 41 H ALA 41 9.322 6.965 -0.368
243 HA ALA 41 HA ALA 41 7.230 4.992 -0.514
244 HB1 ALA 41 1HB ALA 41 9.580 5.212 -1.781
245 HB2 ALA 41 2HB ALA 41 10.053 4.121 -0.478
246 HB3 ALA 41 3HB ALA 41 8.739 3.677 -1.567
247 H LYS 42 H KSS 42 10.097 5.463 1.551
248 HB2 LYS 42 2HB KSS 42 11.756 4.640 3.389
249 HB3 LYS 42 3HB KSS 42 10.846 6.091 3.788
250 HG2 LYS 42 2HG KSS 42 10.480 3.864 5.659
251 HG3 LYS 42 3HG KSS 42 12.117 4.518 5.589
252 HD2 LYS 42 2HD KSS 42 11.299 6.737 6.069
253 HD3 LYS 42 3HD KSS 42 9.627 6.174 5.993
254 HE2 LYS 42 2HE KSS 42 9.696 5.645 8.147
255 HE3 LYS 42 3HE KSS 42 11.038 4.543 7.846
256 HZ1 LYS 42 1HZ KSS 42 12.082 7.114 7.827
257 HZ2 LYS 42 2HZ KSS 42 12.323 5.912 8.992
258 HZ3 LYS 42 3HZ KSS 42 11.064 7.028 9.175
259 H THR 43 H THR 43 8.023 6.340 3.148
260 HA THR 43 HA THR 43 6.709 5.854 5.695
261 HB THR 43 HB THR 43 6.230 8.056 3.677
262 HG1 THR 43 HG1 THR 43 8.333 8.105 4.638
263 HG21 THR 43 1HG2 THR 43 5.447 9.022 6.094
264 HG22 THR 43 2HG2 THR 43 4.971 7.330 6.234
265 HG23 THR 43 3HG2 THR 43 4.356 8.313 4.905
266 H ALA 44 H ALA 44 5.972 5.777 2.251
267 HA ALA 44 HA ALA 44 3.180 5.315 2.553
268 HB1 ALA 44 1HB ALA 44 3.417 4.494 0.134
269 HB2 ALA 44 2HB ALA 44 3.803 6.180 0.478
270 HB3 ALA 44 3HB ALA 44 5.100 5.004 0.271
Start of MODEL 3
1 H1 TRP 1 H TRP 1 2.191 0.590 0.731
2 HA TRP 1 HA TRP 1 3.020 -0.791 -1.540
3 HB2 TRP 1 2HB TRP 1 0.586 0.941 -1.951
4 HB3 TRP 1 3HB TRP 1 1.700 0.565 -3.262
5 HD1 TRP 1 HD1 TRP 1 -0.456 -1.388 -0.686
6 HE1 TRP 1 HE1 TRP 1 -1.316 -3.523 -1.838
7 HE3 TRP 1 HE3 TRP 1 1.883 -0.872 -5.203
8 HZ2 TRP 1 HZ2 TRP 1 -1.039 -4.817 -4.332
9 HZ3 TRP 1 HZ3 TRP 1 1.534 -2.602 -6.917
10 HH2 TRP 1 HH2 TRP 1 0.103 -4.534 -6.488
11 H GLY 2 H GLY 2 4.878 0.278 -0.604
12 HA2 GLY 2 2HA GLY 2 5.021 3.170 -1.116
13 HA3 GLY 2 3HA GLY 2 6.116 2.258 -0.087
14 H CYS 3 H CYS 3 5.288 3.089 -3.382
15 HA CYS 3 HA CYS 3 8.008 2.339 -4.185
16 HB2 CYS 3 2HB CYS 3 5.684 0.970 -4.997
17 HB3 CYS 3 3HB CYS 3 6.177 1.947 -6.376
18 H VAL 4 H VAL 4 8.977 4.143 -4.813
19 HA VAL 4 HA VAL 4 7.416 6.114 -6.355
20 HB VAL 4 HB VAL 4 8.031 6.932 -4.090
21 HG11 VAL 4 1HG1 VAL 4 10.786 7.500 -4.568
22 HG12 VAL 4 2HG1 VAL 4 10.054 6.590 -3.244
23 HG13 VAL 4 3HG1 VAL 4 10.520 5.764 -4.732
24 HG21 VAL 4 1HG2 VAL 4 8.421 9.060 -4.823
25 HG22 VAL 4 2HG2 VAL 4 9.660 8.557 -5.973
26 HG23 VAL 4 3HG2 VAL 4 7.955 8.308 -6.348
27 H CYS 5 H CYS 5 8.476 7.195 -8.048
28 HA CYS 5 HA CYS 5 11.120 6.180 -8.810
29 HB2 CYS 5 2HB CYS 5 8.810 6.372 -10.750
30 HB3 CYS 5 3HB CYS 5 10.423 5.750 -11.079
31 H SER 6 H SER 6 12.352 7.575 -10.089
32 HA SER 6 HA SER 6 11.528 10.364 -9.918
33 HB2 SER 6 2HB SER 6 13.754 9.857 -9.111
34 HB3 SER 6 3HB SER 6 14.175 9.086 -10.640
35 HG SER 6 HG SER 6 14.827 10.994 -11.208
36 H GLY 7 H GLY 7 9.895 9.446 -11.689
37 HA2 GLY 7 2HA GLY 7 10.607 10.765 -14.111
38 HA3 GLY 7 3HA GLY 7 10.646 9.020 -14.316
39 H SER 8 H SER 8 8.754 7.882 -14.448
40 HA SER 8 HA SER 8 6.282 9.488 -14.395
41 HB2 SER 8 2HB SER 8 7.259 7.420 -16.326
42 HB3 SER 8 3HB SER 8 5.524 7.591 -16.064
43 HG SER 8 HG SER 8 6.525 8.912 -17.787
44 H THR 9 H THR 9 4.292 7.953 -14.265
45 HA THR 9 HA THR 9 4.543 6.514 -11.790
46 HB THR 9 HB THR 9 2.061 6.005 -12.245
47 HG1 THR 9 HG1 THR 9 1.468 6.521 -14.209
48 HG21 THR 9 1HG2 THR 9 3.069 7.869 -10.806
49 HG22 THR 9 2HG2 THR 9 1.404 8.076 -11.348
50 HG23 THR 9 3HG2 THR 9 2.710 8.939 -12.160
51 H ALA 10 H ALA 10 4.155 5.701 -15.181
52 HA ALA 10 HA ALA 10 3.436 3.012 -14.936
53 HB1 ALA 10 1HB ALA 10 3.263 4.031 -17.066
54 HB2 ALA 10 2HB ALA 10 4.971 4.470 -17.073
55 HB3 ALA 10 3HB ALA 10 4.495 2.778 -17.212
56 H VAL 11 H VAL 11 6.599 4.571 -14.863
57 HA VAL 11 HA VAL 11 8.019 2.060 -14.730
58 HB VAL 11 HB VAL 11 9.108 3.922 -15.824
59 HG11 VAL 11 1HG1 VAL 11 8.131 5.800 -14.736
60 HG12 VAL 11 2HG1 VAL 11 8.791 5.316 -13.173
61 HG13 VAL 11 3HG1 VAL 11 9.869 5.879 -14.451
62 HG21 VAL 11 1HG2 VAL 11 10.258 2.298 -13.912
63 HG22 VAL 11 2HG2 VAL 11 11.119 3.256 -15.118
64 HG23 VAL 11 3HG2 VAL 11 10.853 3.906 -13.500
65 H ALA 12 H ALS 12 6.760 4.424 -12.508
66 HB1 ALA 12 1HB ALS 12 5.431 4.758 -10.317
67 HB2 ALA 12 2HB ALS 12 6.547 4.881 -8.957
68 HB3 ALA 12 3HB ALS 12 6.855 5.791 -10.436
69 H ASN 13 H ASN 13 5.135 2.547 -11.324
70 HA ASN 13 HA ASN 13 5.014 0.631 -9.175
71 HB2 ASN 13 2HB ASN 13 2.879 0.085 -9.962
72 HB3 ASN 13 3HB ASN 13 3.034 1.789 -10.379
73 HD21 ASN 13 1HD2 ASN 13 3.690 2.292 -12.583
74 HD22 ASN 13 2HD2 ASN 13 3.188 1.243 -13.861
75 H SER 14 H SER 14 6.076 0.693 -12.484
76 HA SER 14 HA SER 14 5.994 -1.987 -13.171
77 HB2 SER 14 2HB SER 14 6.628 -0.477 -14.871
78 HB3 SER 14 3HB SER 14 7.924 0.212 -13.893
79 HG SER 14 HG SER 14 9.209 -1.364 -14.473
80 H HIS 15 H HIS 15 8.136 -0.318 -10.991
81 HA HIS 15 HA HIS 15 9.827 -2.692 -10.713
82 HB2 HIS 15 2HB HIS 15 10.318 0.096 -10.554
83 HB3 HIS 15 3HB HIS 15 10.597 -0.570 -8.947
84 HD1 HIS 15 HD1 HIS 15 12.287 0.024 -12.035
85 HD2 HIS 15 HD2 HIS 15 12.426 -2.955 -9.142
86 HE1 HIS 15 HE1 HIS 15 14.488 -1.144 -12.377
87 H ASN 16 H NSS 16 8.271 -0.354 -8.507
88 HB2 ASN 16 2HB NSS 16 5.986 -2.177 -8.035
89 HB3 ASN 16 3HB NSS 16 6.572 -3.385 -6.896
90 HD21 ASN 16 1HD2 NSS 16 4.802 -0.371 -7.194
91 HD22 ASN 16 2HD2 NSS 16 3.896 -0.542 -5.733
92 H ALA 17 H ALA 17 7.163 -2.653 -4.643
93 HA ALA 17 HA ALA 17 9.528 -4.254 -4.457
94 HB1 ALA 17 1HB ALA 17 10.802 -3.124 -2.965
95 HB2 ALA 17 2HB ALA 17 10.030 -1.732 -3.726
96 HB3 ALA 17 3HB ALA 17 9.414 -2.354 -2.194
97 H GLY 18 H GLY 18 7.224 -2.637 -2.251
98 HA2 GLY 18 2HA GLY 18 5.606 -4.818 -1.725
99 HA3 GLY 18 3HA GLY 18 6.941 -4.930 -0.588
100 HA PRO 19 HA PRO 19 3.508 -2.044 0.939
101 HB2 PRO 19 2HB PRO 19 2.606 -3.611 2.964
102 HB3 PRO 19 3HB PRO 19 1.942 -3.680 1.328
103 HG2 PRO 19 2HG PRO 19 3.949 -5.475 2.635
104 HG3 PRO 19 3HG PRO 19 2.571 -5.901 1.604
105 HD2 PRO 19 2HD PRO 19 5.112 -5.807 0.673
106 HD3 PRO 19 3HD PRO 19 3.708 -5.406 -0.338
107 H ALA 20 H ALA 20 5.940 -4.054 2.482
108 HA ALA 20 HA ALA 20 6.312 -1.968 4.532
109 HB1 ALA 20 1HB ALA 20 7.147 -4.857 4.729
110 HB2 ALA 20 2HB ALA 20 7.197 -3.640 6.004
111 HB3 ALA 20 3HB ALA 20 5.645 -4.207 5.387
112 H TYR 21 H TYR 21 7.427 -2.188 1.753
113 HA TYR 21 HA TYR 21 10.283 -2.147 2.480
114 HB2 TYR 21 2HB TYR 21 8.939 -3.093 -0.046
115 HB3 TYR 21 3HB TYR 21 10.647 -2.670 -0.003
116 HD1 TYR 21 HD1 TYR 21 8.181 -4.803 1.824
117 HD2 TYR 21 HD2 TYR 21 12.180 -4.340 0.448
118 HE1 TYR 21 HE1 TYR 21 8.713 -7.065 2.629
119 HE2 TYR 21 HE2 TYR 21 12.724 -6.601 1.249
120 HH TYR 21 HH TYR 21 10.783 -8.881 1.780
121 H CYS 22 H CYS 22 11.497 -0.426 1.833
122 HA CYS 22 HA CYS 22 10.045 1.764 0.498
123 HB2 CYS 22 2HB CYS 22 12.293 1.887 2.518
124 HB3 CYS 22 3HB CYS 22 11.628 3.286 1.681
125 H VAL 23 H VAL 23 10.687 2.138 -1.508
126 HA VAL 23 HA VAL 23 13.538 1.817 -2.165
127 HB VAL 23 HB VAL 23 11.220 1.009 -3.927
128 HG11 VAL 23 1HG1 VAL 23 14.102 1.444 -4.443
129 HG12 VAL 23 2HG1 VAL 23 13.360 0.024 -5.183
130 HG13 VAL 23 3HG1 VAL 23 12.715 1.632 -5.516
131 HG21 VAL 23 1HG2 VAL 23 12.160 -1.260 -3.704
132 HG22 VAL 23 2HG2 VAL 23 13.329 -0.642 -2.536
133 HG23 VAL 23 3HG2 VAL 23 11.606 -0.606 -2.162
134 H GLY 24 H GLY 24 14.336 3.739 -2.689
135 HA2 GLY 24 2HA GLY 24 12.563 5.664 -4.056
136 HA3 GLY 24 3HA GLY 24 13.900 6.117 -3.010
137 H TYR 25 H TYR 25 12.916 5.538 -6.189
138 HA TYR 25 HA TYR 25 15.526 4.954 -7.262
139 HB2 TYR 25 2HB TYR 25 13.168 4.332 -8.219
140 HB3 TYR 25 3HB TYR 25 13.240 5.941 -8.931
141 HD1 TYR 25 HD1 TYR 25 14.187 6.179 -11.027
142 HD2 TYR 25 HD2 TYR 25 15.305 2.841 -8.638
143 HE1 TYR 25 HE1 TYR 25 15.524 5.298 -12.894
144 HE2 TYR 25 HE2 TYR 25 16.646 1.951 -10.497
145 HH TYR 25 HH TYR 25 17.781 2.815 -12.528
146 H CYS 26 H CYS 26 17.057 6.444 -7.385
147 HA CYS 26 HA CYS 26 16.274 9.225 -7.972
148 HB2 CYS 26 2HB CYS 26 18.686 8.245 -6.430
149 HB3 CYS 26 3HB CYS 26 18.306 9.929 -6.775
150 H GLY 27 H GLY 27 17.003 10.079 -9.810
151 HA2 GLY 27 2HA GLY 27 18.729 8.503 -11.515
152 HA3 GLY 27 3HA GLY 27 17.939 10.015 -11.937
153 H ASN 28 H ASN 28 19.533 11.287 -12.658
154 HA ASN 28 HA ASN 28 22.002 11.466 -11.072
155 HB2 ASN 28 2HB ASN 28 22.812 12.709 -13.200
156 HB3 ASN 28 3HB ASN 28 22.632 10.959 -13.265
157 HD21 ASN 28 1HD2 ASN 28 21.312 14.018 -14.259
158 HD22 ASN 28 2HD2 ASN 28 20.280 13.398 -15.497
159 H ASN 29 H ASN 29 19.711 12.744 -10.098
160 HA ASN 29 HA ASN 29 19.932 15.555 -10.812
161 HB2 ASN 29 2HB ASN 29 18.183 14.258 -8.711
162 HB3 ASN 29 3HB ASN 29 18.028 15.893 -9.345
163 HD21 ASN 29 1HD2 ASN 29 16.786 12.883 -9.505
164 HD22 ASN 29 2HD2 ASN 29 16.081 12.933 -11.082
165 H GLY 30 H GLY 30 20.494 13.459 -8.006
166 HA2 GLY 30 2HA GLY 30 22.751 14.525 -7.011
167 HA3 GLY 30 3HA GLY 30 21.542 15.667 -6.443
168 H VAL 31 H VAL 31 22.953 14.474 -4.542
169 HA VAL 31 HA VAL 31 21.993 11.979 -3.634
170 HB VAL 31 HB VAL 31 23.131 14.191 -1.923
171 HG11 VAL 31 1HG1 VAL 31 22.183 12.446 -0.592
172 HG12 VAL 31 2HG1 VAL 31 22.960 11.203 -1.575
173 HG13 VAL 31 3HG1 VAL 31 23.937 12.262 -0.558
174 HG21 VAL 31 1HG2 VAL 31 24.986 13.999 -3.146
175 HG22 VAL 31 2HG2 VAL 31 25.161 12.386 -2.455
176 HG23 VAL 31 3HG2 VAL 31 24.361 12.596 -4.013
177 H VAL 32 H VAL 32 20.965 15.297 -3.036
178 HA VAL 32 HA VAL 32 19.230 14.927 -0.913
179 HB VAL 32 HB VAL 32 18.854 16.789 -3.263
180 HG11 VAL 32 1HG1 VAL 32 16.845 17.093 -2.296
181 HG12 VAL 32 2HG1 VAL 32 17.356 16.376 -0.767
182 HG13 VAL 32 3HG1 VAL 32 17.760 18.053 -1.135
183 HG21 VAL 32 1HG2 VAL 32 21.027 16.960 -2.010
184 HG22 VAL 32 2HG2 VAL 32 20.045 18.425 -2.011
185 HG23 VAL 32 3HG2 VAL 32 20.087 17.393 -0.582
186 H THR 33 H THR 33 18.450 14.775 -4.388
187 HA THR 33 HA THR 33 15.762 14.121 -4.168
188 HB THR 33 HB THR 33 17.277 12.779 -6.340
189 HG1 THR 33 HG1 THR 33 18.475 14.568 -6.474
190 HG21 THR 33 1HG2 THR 33 15.201 12.819 -7.156
191 HG22 THR 33 2HG2 THR 33 15.365 14.566 -7.331
192 HG23 THR 33 3HG2 THR 33 14.658 13.889 -5.865
193 H ARG 34 H RSS 34 18.579 11.961 -4.293
194 HB2 ARG 34 2HB RSS 34 19.679 9.607 -4.573
195 HB3 ARG 34 3HB RSS 34 19.861 10.346 -2.988
196 HG2 ARG 34 2HG RSS 34 18.508 7.770 -2.896
197 HG3 ARG 34 3HG RSS 34 20.139 7.683 -3.565
198 HD2 ARG 34 2HD RSS 34 21.111 8.517 -1.616
199 HD3 ARG 34 3HD RSS 34 19.588 9.189 -1.034
200 HE ARG 34 HE RSS 34 19.406 6.375 -1.237
201 HH11 ARG 34 1HH2 RSS 34 19.442 5.110 0.661
202 HH12 ARG 34 2HH2 RSS 34 20.072 5.787 2.124
203 HH21 ARG 34 1HH1 RSS 34 20.829 8.891 0.703
204 HH22 ARG 34 2HH1 RSS 34 20.860 7.938 2.150
205 H ASN 35 H ASN 35 17.664 11.749 -1.698
206 HA ASN 35 HA ASN 35 16.787 9.851 0.295
207 HB2 ASN 35 2HB ASN 35 17.270 12.835 0.415
208 HB3 ASN 35 3HB ASN 35 16.798 11.857 1.801
209 HD21 ASN 35 1HD2 ASN 35 19.341 13.247 0.336
210 HD22 ASN 35 2HD2 ASN 35 20.613 12.217 0.890
211 H ALA 36 H ALA 36 15.431 12.648 -1.403
212 HA ALA 36 HA ALA 36 12.987 12.820 -0.083
213 HB1 ALA 36 1HB ALA 36 14.174 13.942 -2.407
214 HB2 ALA 36 2HB ALA 36 12.546 13.405 -2.820
215 HB3 ALA 36 3HB ALA 36 12.791 14.528 -1.482
216 H ASN 37 H ASN 37 13.939 10.814 -2.841
217 HA ASN 37 HA ASN 37 11.400 9.752 -3.409
218 HB2 ASN 37 2HB ASN 37 14.198 8.753 -3.914
219 HB3 ASN 37 3HB ASN 37 12.783 7.831 -4.414
220 HD21 ASN 37 1HD2 ASN 37 11.857 8.307 -6.290
221 HD22 ASN 37 2HD2 ASN 37 12.224 9.686 -7.264
222 H ALA 38 H ALA 38 14.103 8.200 -1.667
223 HA ALA 38 HA ALA 38 12.695 5.974 -0.766
224 HB1 ALA 38 1HB ALA 38 15.126 6.128 -0.687
225 HB2 ALA 38 2HB ALA 38 15.016 7.364 0.567
226 HB3 ALA 38 3HB ALA 38 14.468 5.720 0.898
227 H ASN 39 H ASN 39 12.673 9.245 0.367
228 HA ASN 39 HA ASN 39 11.669 8.731 2.980
229 HB2 ASN 39 2HB ASN 39 12.792 10.840 2.406
230 HB3 ASN 39 3HB ASN 39 11.485 11.238 1.295
231 HD21 ASN 39 1HD2 ASN 39 11.242 13.173 2.538
232 HD22 ASN 39 2HD2 ASN 39 10.351 13.144 4.018
233 H VAL 40 H VAL 40 10.208 9.212 -0.165
234 HA VAL 40 HA VAL 40 7.532 9.487 0.845
235 HB VAL 40 HB VAL 40 8.402 8.826 -1.971
236 HG11 VAL 40 1HG1 VAL 40 5.835 9.940 -0.848
237 HG12 VAL 40 2HG1 VAL 40 6.220 9.840 -2.567
238 HG13 VAL 40 3HG1 VAL 40 6.066 8.367 -1.609
239 HG21 VAL 40 1HG2 VAL 40 7.638 11.504 -1.831
240 HG22 VAL 40 2HG2 VAL 40 8.684 11.252 -0.433
241 HG23 VAL 40 3HG2 VAL 40 9.270 10.874 -2.053
242 H ALA 41 H ALA 41 9.578 6.872 -0.222
243 HA ALA 41 HA ALA 41 7.402 4.968 -0.368
244 HB1 ALA 41 1HB ALA 41 9.648 5.023 -1.723
245 HB2 ALA 41 2HB ALA 41 10.259 4.125 -0.333
246 HB3 ALA 41 3HB ALA 41 8.905 3.490 -1.268
247 H LYS 42 H KSS 42 10.281 5.425 1.682
248 HB2 LYS 42 2HB KSS 42 11.329 4.500 4.963
249 HB3 LYS 42 3HB KSS 42 11.865 4.914 3.340
250 HG2 LYS 42 2HG KSS 42 11.879 7.001 4.163
251 HG3 LYS 42 3HG KSS 42 10.153 6.940 3.803
252 HD2 LYS 42 2HD KSS 42 10.300 7.739 6.013
253 HD3 LYS 42 3HD KSS 42 9.850 6.039 6.163
254 HE2 LYS 42 2HE KSS 42 12.631 6.033 6.133
255 HE3 LYS 42 3HE KSS 42 12.202 7.426 7.125
256 HZ1 LYS 42 1HZ KSS 42 12.428 5.330 8.387
257 HZ2 LYS 42 2HZ KSS 42 11.113 4.695 7.533
258 HZ3 LYS 42 3HZ KSS 42 10.899 6.036 8.542
259 H THR 43 H THR 43 8.239 6.418 3.244
260 HA THR 43 HA THR 43 6.982 6.202 5.828
261 HB THR 43 HB THR 43 5.569 8.127 4.969
262 HG1 THR 43 HG1 THR 43 7.466 8.186 2.853
263 HG21 THR 43 1HG2 THR 43 8.568 8.262 5.122
264 HG22 THR 43 2HG2 THR 43 7.379 8.716 6.344
265 HG23 THR 43 3HG2 THR 43 7.585 9.709 4.901
266 H ALA 44 H ALA 44 6.142 5.497 2.489
267 HA ALA 44 HA ALA 44 3.388 4.907 3.089
268 HB1 ALA 44 1HB ALA 44 4.992 4.319 0.603
269 HB2 ALA 44 2HB ALA 44 3.238 4.212 0.760
270 HB3 ALA 44 3HB ALA 44 4.041 5.776 0.897
Start of MODEL 4
1 H1 TRP 1 H TRP 1 1.176 0.331 0.604
2 HA TRP 1 HA TRP 1 2.225 -0.595 -1.464
3 HB2 TRP 1 2HB TRP 1 0.374 1.470 -2.668
4 HB3 TRP 1 3HB TRP 1 1.682 0.692 -3.554
5 HD1 TRP 1 HD1 TRP 1 -1.429 -0.462 -1.522
6 HE1 TRP 1 HE1 TRP 1 -2.443 -2.497 -2.730
7 HE3 TRP 1 HE3 TRP 1 1.960 -0.922 -5.322
8 HZ2 TRP 1 HZ2 TRP 1 -1.880 -4.087 -4.993
9 HZ3 TRP 1 HZ3 TRP 1 1.650 -2.727 -6.966
10 HH2 TRP 1 HH2 TRP 1 -0.230 -4.276 -6.803
11 H GLY 2 H GLY 2 4.260 0.106 -1.526
12 HA2 GLY 2 2HA GLY 2 4.748 3.004 -1.253
13 HA3 GLY 2 3HA GLY 2 5.636 1.844 -0.275
14 H CYS 3 H CYS 3 5.171 3.137 -3.491
15 HA CYS 3 HA CYS 3 7.875 2.309 -4.183
16 HB2 CYS 3 2HB CYS 3 5.638 0.872 -5.118
17 HB3 CYS 3 3HB CYS 3 6.192 1.847 -6.475
18 H VAL 4 H VAL 4 8.832 4.130 -4.778
19 HA VAL 4 HA VAL 4 7.290 6.078 -6.367
20 HB VAL 4 HB VAL 4 7.922 6.893 -4.103
21 HG11 VAL 4 1HG1 VAL 4 10.670 7.464 -4.594
22 HG12 VAL 4 2HG1 VAL 4 9.951 6.538 -3.276
23 HG13 VAL 4 3HG1 VAL 4 10.410 5.730 -4.775
24 HG21 VAL 4 1HG2 VAL 4 8.726 9.042 -4.831
25 HG22 VAL 4 2HG2 VAL 4 9.343 8.348 -6.331
26 HG23 VAL 4 3HG2 VAL 4 7.605 8.413 -6.039
27 H CYS 5 H CYS 5 8.358 7.162 -8.058
28 HA CYS 5 HA CYS 5 11.003 6.162 -8.820
29 HB2 CYS 5 2HB CYS 5 8.673 6.241 -10.746
30 HB3 CYS 5 3HB CYS 5 10.305 5.673 -11.083
31 H SER 6 H SER 6 12.241 7.591 -9.994
32 HA SER 6 HA SER 6 11.316 10.346 -9.959
33 HB2 SER 6 2HB SER 6 13.543 9.890 -9.082
34 HB3 SER 6 3HB SER 6 14.023 9.156 -10.613
35 HG SER 6 HG SER 6 13.129 11.834 -10.413
36 H GLY 7 H GLY 7 9.727 9.548 -11.720
37 HA2 GLY 7 2HA GLY 7 10.472 10.754 -14.158
38 HA3 GLY 7 3HA GLY 7 10.571 9.008 -14.332
39 H SER 8 H SER 8 8.703 7.783 -14.376
40 HA SER 8 HA SER 8 6.183 9.312 -14.429
41 HB2 SER 8 2HB SER 8 7.415 7.802 -16.524
42 HB3 SER 8 3HB SER 8 5.918 6.995 -16.055
43 HG SER 8 HG SER 8 6.306 9.572 -17.100
44 H THR 9 H THR 9 4.253 7.681 -14.361
45 HA THR 9 HA THR 9 4.501 6.263 -11.873
46 HB THR 9 HB THR 9 2.037 5.840 -13.427
47 HG1 THR 9 HG1 THR 9 3.075 8.411 -12.930
48 HG21 THR 9 1HG2 THR 9 2.782 5.725 -10.791
49 HG22 THR 9 2HG2 THR 9 1.120 5.786 -11.377
50 HG23 THR 9 3HG2 THR 9 1.933 7.268 -10.875
51 H ALA 10 H ALA 10 4.109 5.406 -15.271
52 HA ALA 10 HA ALA 10 3.556 2.696 -15.027
53 HB1 ALA 10 1HB ALA 10 5.316 3.859 -17.172
54 HB2 ALA 10 2HB ALA 10 4.242 2.464 -17.280
55 HB3 ALA 10 3HB ALA 10 3.567 4.087 -17.134
56 H VAL 11 H VAL 11 6.641 4.395 -14.875
57 HA VAL 11 HA VAL 11 8.173 1.952 -14.719
58 HB VAL 11 HB VAL 11 9.182 3.893 -15.776
59 HG11 VAL 11 1HG1 VAL 11 9.835 5.854 -14.389
60 HG12 VAL 11 2HG1 VAL 11 8.092 5.682 -14.604
61 HG13 VAL 11 3HG1 VAL 11 8.846 5.204 -13.082
62 HG21 VAL 11 1HG2 VAL 11 10.902 3.876 -13.431
63 HG22 VAL 11 2HG2 VAL 11 10.381 2.259 -13.904
64 HG23 VAL 11 3HG2 VAL 11 11.213 3.292 -15.066
65 H ALA 12 H ALS 12 6.777 4.265 -12.517
66 HB1 ALA 12 1HB ALS 12 6.461 4.690 -8.969
67 HB2 ALA 12 2HB ALS 12 6.791 5.624 -10.428
68 HB3 ALA 12 3HB ALS 12 5.390 4.556 -10.364
69 H ASN 13 H ASN 13 5.210 2.310 -11.418
70 HA ASN 13 HA ASN 13 5.056 0.401 -9.266
71 HB2 ASN 13 2HB ASN 13 2.988 -0.242 -10.164
72 HB3 ASN 13 3HB ASN 13 3.091 1.472 -10.555
73 HD21 ASN 13 1HD2 ASN 13 3.603 2.081 -12.701
74 HD22 ASN 13 2HD2 ASN 13 3.298 1.009 -14.020
75 H SER 14 H SER 14 6.290 0.491 -12.511
76 HA SER 14 HA SER 14 6.334 -2.183 -13.207
77 HB2 SER 14 2HB SER 14 7.045 -0.682 -14.869
78 HB3 SER 14 3HB SER 14 8.217 0.089 -13.801
79 HG SER 14 HG SER 14 8.938 -1.537 -15.491
80 H HIS 15 H HIS 15 8.403 -0.430 -10.985
81 HA HIS 15 HA HIS 15 10.074 -2.789 -10.563
82 HB2 HIS 15 2HB HIS 15 10.592 -0.042 -10.510
83 HB3 HIS 15 3HB HIS 15 10.659 -0.544 -8.823
84 HD1 HIS 15 HD1 HIS 15 12.722 -1.758 -8.074
85 HD2 HIS 15 HD2 HIS 15 12.471 -1.440 -12.208
86 HE1 HIS 15 HE1 HIS 15 14.934 -2.578 -8.946
87 H ASN 16 H NSS 16 8.409 -0.434 -8.457
88 HB2 ASN 16 2HB NSS 16 6.107 -2.254 -8.069
89 HB3 ASN 16 3HB NSS 16 6.643 -3.450 -6.893
90 HD21 ASN 16 1HD2 NSS 16 4.818 -0.504 -7.351
91 HD22 ASN 16 2HD2 NSS 16 3.874 -0.637 -5.910
92 H ALA 17 H ALA 17 7.133 -2.696 -4.624
93 HA ALA 17 HA ALA 17 9.430 -4.345 -4.311
94 HB1 ALA 17 1HB ALA 17 9.925 -1.741 -3.628
95 HB2 ALA 17 2HB ALA 17 9.479 -2.461 -2.081
96 HB3 ALA 17 3HB ALA 17 10.806 -3.144 -3.021
97 H GLY 18 H GLY 18 7.028 -2.536 -2.386
98 HA2 GLY 18 2HA GLY 18 5.246 -4.375 -1.697
99 HA3 GLY 18 3HA GLY 18 6.605 -4.883 -0.705
100 HA PRO 19 HA PRO 19 3.994 -1.491 1.352
101 HB2 PRO 19 2HB PRO 19 2.801 -3.033 3.242
102 HB3 PRO 19 3HB PRO 19 2.087 -2.737 1.652
103 HG2 PRO 19 2HG PRO 19 3.632 -5.110 2.622
104 HG3 PRO 19 3HG PRO 19 2.157 -5.061 1.638
105 HD2 PRO 19 2HD PRO 19 4.610 -5.466 0.566
106 HD3 PRO 19 3HD PRO 19 3.316 -4.617 -0.304
107 H ALA 20 H ALA 20 5.812 -4.250 2.587
108 HA ALA 20 HA ALA 20 6.634 -2.711 4.937
109 HB1 ALA 20 1HB ALA 20 7.333 -5.571 4.311
110 HB2 ALA 20 2HB ALA 20 7.408 -4.747 5.870
111 HB3 ALA 20 3HB ALA 20 5.845 -5.096 5.132
112 H TYR 21 H TYR 21 7.562 -2.221 2.124
113 HA TYR 21 HA TYR 21 10.429 -2.248 2.729
114 HB2 TYR 21 2HB TYR 21 9.218 -3.105 0.093
115 HB3 TYR 21 3HB TYR 21 10.937 -2.860 0.381
116 HD1 TYR 21 HD1 TYR 21 12.215 -4.446 1.716
117 HD2 TYR 21 HD2 TYR 21 8.067 -5.047 0.980
118 HE1 TYR 21 HE1 TYR 21 12.426 -6.779 2.465
119 HE2 TYR 21 HE2 TYR 21 8.267 -7.381 1.729
120 HH TYR 21 HH TYR 21 9.766 -9.049 2.176
121 H CYS 22 H CYS 22 11.536 -0.459 2.067
122 HA CYS 22 HA CYS 22 9.949 1.635 0.733
123 HB2 CYS 22 2HB CYS 22 12.126 1.877 2.815
124 HB3 CYS 22 3HB CYS 22 11.469 3.247 1.926
125 H VAL 23 H VAL 23 10.603 2.129 -1.244
126 HA VAL 23 HA VAL 23 13.470 1.923 -1.882
127 HB VAL 23 HB VAL 23 11.237 1.181 -3.775
128 HG11 VAL 23 1HG1 VAL 23 13.589 0.089 -4.694
129 HG12 VAL 23 2HG1 VAL 23 12.824 1.558 -5.303
130 HG13 VAL 23 3HG1 VAL 23 14.092 1.664 -4.082
131 HG21 VAL 23 1HG2 VAL 23 11.442 -0.439 -1.939
132 HG22 VAL 23 2HG2 VAL 23 11.939 -1.128 -3.485
133 HG23 VAL 23 3HG2 VAL 23 13.156 -0.629 -2.309
134 H GLY 24 H GLY 24 14.331 3.627 -2.929
135 HA2 GLY 24 2HA GLY 24 12.472 5.633 -4.042
136 HA3 GLY 24 3HA GLY 24 13.796 6.107 -2.988
137 H TYR 25 H TYR 25 12.833 5.543 -6.174
138 HA TYR 25 HA TYR 25 15.434 4.988 -7.262
139 HB2 TYR 25 2HB TYR 25 13.191 4.328 -8.289
140 HB3 TYR 25 3HB TYR 25 13.043 6.008 -8.792
141 HD1 TYR 25 HD1 TYR 25 15.709 3.378 -8.868
142 HD2 TYR 25 HD2 TYR 25 13.584 6.390 -10.993
143 HE1 TYR 25 HE1 TYR 25 17.033 2.883 -10.881
144 HE2 TYR 25 HE2 TYR 25 14.901 5.903 -13.012
145 HH TYR 25 HH TYR 25 17.708 4.305 -13.034
146 H CYS 26 H CYS 26 16.978 6.404 -7.722
147 HA CYS 26 HA CYS 26 16.241 9.226 -8.114
148 HB2 CYS 26 2HB CYS 26 18.553 8.146 -6.491
149 HB3 CYS 26 3HB CYS 26 18.361 9.839 -6.934
150 H GLY 27 H GLY 27 17.673 10.451 -9.449
151 HA2 GLY 27 2HA GLY 27 19.213 8.744 -11.301
152 HA3 GLY 27 3HA GLY 27 18.402 10.233 -11.762
153 H ASN 28 H ASN 28 19.886 11.685 -12.304
154 HA ASN 28 HA ASN 28 22.311 11.890 -10.645
155 HB2 ASN 28 2HB ASN 28 23.179 13.165 -12.732
156 HB3 ASN 28 3HB ASN 28 23.068 11.409 -12.803
157 HD21 ASN 28 1HD2 ASN 28 21.671 14.417 -13.855
158 HD22 ASN 28 2HD2 ASN 28 20.730 13.759 -15.146
159 H ASN 29 H ASN 29 19.825 13.094 -9.912
160 HA ASN 29 HA ASN 29 20.050 15.912 -10.564
161 HB2 ASN 29 2HB ASN 29 18.188 14.739 -8.509
162 HB3 ASN 29 3HB ASN 29 17.979 16.197 -9.476
163 HD21 ASN 29 1HD2 ASN 29 16.854 13.203 -9.087
164 HD22 ASN 29 2HD2 ASN 29 16.338 12.846 -10.696
165 H GLY 30 H GLY 30 20.585 13.776 -7.806
166 HA2 GLY 30 2HA GLY 30 22.666 14.958 -6.613
167 HA3 GLY 30 3HA GLY 30 21.349 16.001 -6.098
168 H VAL 31 H VAL 31 22.967 14.524 -4.332
169 HA VAL 31 HA VAL 31 21.964 12.059 -3.526
170 HB VAL 31 HB VAL 31 23.060 14.210 -1.710
171 HG11 VAL 31 1HG1 VAL 31 22.312 12.643 -0.230
172 HG12 VAL 31 2HG1 VAL 31 22.464 11.317 -1.385
173 HG13 VAL 31 3HG1 VAL 31 23.899 11.965 -0.590
174 HG21 VAL 31 1HG2 VAL 31 25.098 12.444 -2.180
175 HG22 VAL 31 2HG2 VAL 31 24.322 12.552 -3.761
176 HG23 VAL 31 3HG2 VAL 31 24.907 14.012 -2.964
177 H VAL 32 H VAL 32 20.880 15.322 -2.728
178 HA VAL 32 HA VAL 32 19.103 14.789 -0.679
179 HB VAL 32 HB VAL 32 18.714 16.792 -2.907
180 HG11 VAL 32 1HG1 VAL 32 16.678 16.802 -1.841
181 HG12 VAL 32 2HG1 VAL 32 17.370 16.348 -0.282
182 HG13 VAL 32 3HG1 VAL 32 17.559 17.994 -0.886
183 HG21 VAL 32 1HG2 VAL 32 20.669 16.633 -0.819
184 HG22 VAL 32 2HG2 VAL 32 20.490 17.846 -2.086
185 HG23 VAL 32 3HG2 VAL 32 19.630 18.034 -0.558
186 H THR 33 H THR 33 18.360 14.910 -4.165
187 HA THR 33 HA THR 33 15.693 14.199 -4.053
188 HB THR 33 HB THR 33 17.400 13.082 -6.245
189 HG1 THR 33 HG1 THR 33 18.256 15.004 -6.485
190 HG21 THR 33 1HG2 THR 33 14.771 13.089 -5.995
191 HG22 THR 33 2HG2 THR 33 15.538 13.357 -7.560
192 HG23 THR 33 3HG2 THR 33 14.944 14.727 -6.622
193 H ARG 34 H RSS 34 18.514 12.049 -4.321
194 HB2 ARG 34 2HB RSS 34 19.598 9.713 -4.764
195 HB3 ARG 34 3HB RSS 34 19.809 10.352 -3.139
196 HG2 ARG 34 2HG RSS 34 18.442 7.793 -3.148
197 HG3 ARG 34 3HG RSS 34 20.034 7.716 -3.905
198 HD2 ARG 34 2HD RSS 34 19.952 9.254 -1.413
199 HD3 ARG 34 3HD RSS 34 19.555 7.547 -1.223
200 HE ARG 34 HE RSS 34 22.124 8.661 -1.795
201 HH11 ARG 34 1HH2 RSS 34 23.883 7.231 -2.046
202 HH12 ARG 34 2HH2 RSS 34 23.580 5.549 -2.323
203 HH21 ARG 34 1HH1 RSS 34 20.099 5.866 -2.247
204 HH22 ARG 34 2HH1 RSS 34 21.428 4.772 -2.439
205 H ASN 35 H ASN 35 17.641 11.681 -1.728
206 HA ASN 35 HA ASN 35 16.790 9.667 0.159
207 HB2 ASN 35 2HB ASN 35 17.310 12.631 0.437
208 HB3 ASN 35 3HB ASN 35 16.811 11.601 1.775
209 HD21 ASN 35 1HD2 ASN 35 19.395 12.965 0.300
210 HD22 ASN 35 2HD2 ASN 35 20.640 11.897 0.842
211 H ALA 36 H ALA 36 15.411 12.551 -1.360
212 HA ALA 36 HA ALA 36 13.002 12.693 0.006
213 HB1 ALA 36 1HB ALA 36 12.442 14.270 -1.497
214 HB2 ALA 36 2HB ALA 36 14.118 14.096 -2.016
215 HB3 ALA 36 3HB ALA 36 12.836 13.245 -2.877
216 H ASN 37 H ASN 37 13.809 10.811 -2.896
217 HA ASN 37 HA ASN 37 11.280 9.755 -3.404
218 HB2 ASN 37 2HB ASN 37 14.068 8.805 -3.989
219 HB3 ASN 37 3HB ASN 37 12.685 7.790 -4.388
220 HD21 ASN 37 1HD2 ASN 37 11.591 8.180 -6.203
221 HD22 ASN 37 2HD2 ASN 37 11.857 9.528 -7.251
222 H ALA 38 H ALA 38 13.973 8.175 -1.674
223 HA ALA 38 HA ALA 38 12.558 5.938 -0.804
224 HB1 ALA 38 1HB ALA 38 14.992 6.097 -0.715
225 HB2 ALA 38 2HB ALA 38 14.872 7.309 0.561
226 HB3 ALA 38 3HB ALA 38 14.324 5.660 0.858
227 H ASN 39 H ASN 39 12.553 9.198 0.373
228 HA ASN 39 HA ASN 39 11.536 8.663 2.973
229 HB2 ASN 39 2HB ASN 39 12.105 11.016 1.331
230 HB3 ASN 39 3HB ASN 39 10.682 11.217 2.350
231 HD21 ASN 39 1HD2 ASN 39 13.970 11.514 2.210
232 HD22 ASN 39 2HD2 ASN 39 14.317 11.569 3.901
233 H VAL 40 H VAL 40 10.090 9.080 -0.174
234 HA VAL 40 HA VAL 40 7.409 9.406 0.809
235 HB VAL 40 HB VAL 40 8.307 8.652 -1.975
236 HG11 VAL 40 1HG1 VAL 40 5.714 9.754 -0.904
237 HG12 VAL 40 2HG1 VAL 40 6.119 9.651 -2.618
238 HG13 VAL 40 3HG1 VAL 40 5.977 8.180 -1.654
239 HG21 VAL 40 1HG2 VAL 40 8.366 11.194 -0.513
240 HG22 VAL 40 2HG2 VAL 40 9.257 10.689 -1.949
241 HG23 VAL 40 3HG2 VAL 40 7.601 11.275 -2.100
242 H ALA 41 H ALA 41 9.431 6.743 -0.214
243 HA ALA 41 HA ALA 41 7.240 4.854 -0.262
244 HB1 ALA 41 1HB ALA 41 10.105 4.021 -0.270
245 HB2 ALA 41 2HB ALA 41 8.727 3.321 -1.121
246 HB3 ALA 41 3HB ALA 41 9.431 4.839 -1.680
247 H LYS 42 H KSS 42 10.157 5.351 1.722
248 HB2 LYS 42 2HB KSS 42 11.293 4.434 4.976
249 HB3 LYS 42 3HB KSS 42 11.787 4.775 3.323
250 HG2 LYS 42 2HG KSS 42 11.926 6.887 4.046
251 HG3 LYS 42 3HG KSS 42 10.175 6.894 3.822
252 HD2 LYS 42 2HD KSS 42 9.770 6.946 6.037
253 HD3 LYS 42 3HD KSS 42 11.086 5.828 6.405
254 HE2 LYS 42 2HE KSS 42 12.657 7.766 5.911
255 HE3 LYS 42 3HE KSS 42 11.228 8.798 5.952
256 HZ1 LYS 42 1HZ KSS 42 11.340 7.085 8.222
257 HZ2 LYS 42 2HZ KSS 42 11.235 8.772 8.157
258 HZ3 LYS 42 3HZ KSS 42 12.747 8.015 8.099
259 H THR 43 H THR 43 8.185 6.415 3.246
260 HA THR 43 HA THR 43 6.964 6.258 5.885
261 HB THR 43 HB THR 43 6.634 8.318 3.695
262 HG1 THR 43 HG1 THR 43 8.598 8.704 4.513
263 HG21 THR 43 1HG2 THR 43 5.674 9.679 5.614
264 HG22 THR 43 2HG2 THR 43 5.539 8.158 6.496
265 HG23 THR 43 3HG2 THR 43 4.653 8.386 4.988
266 H ALA 44 H ALA 44 6.218 5.572 2.573
267 HA ALA 44 HA ALA 44 3.406 5.645 2.696
268 HB1 ALA 44 1HB ALA 44 4.579 5.585 0.579
269 HB2 ALA 44 2HB ALA 44 5.210 3.979 0.945
270 HB3 ALA 44 3HB ALA 44 3.480 4.210 0.697
Start of MODEL 5
1 H1 TRP 1 H TRP 1 3.340 -0.423 0.731
2 HA TRP 1 HA TRP 1 2.705 -0.649 -2.132
3 HB2 TRP 1 2HB TRP 1 0.828 -0.264 -0.064
4 HB3 TRP 1 3HB TRP 1 1.008 1.298 -0.857
5 HD1 TRP 1 HD1 TRP 1 -1.424 -1.106 -1.005
6 HE1 TRP 1 HE1 TRP 1 -2.349 -1.569 -3.362
7 HE3 TRP 1 HE3 TRP 1 2.374 0.901 -3.778
8 HZ2 TRP 1 HZ2 TRP 1 -1.572 -1.141 -6.041
9 HZ3 TRP 1 HZ3 TRP 1 2.206 0.833 -6.232
10 HH2 TRP 1 HH2 TRP 1 0.273 -0.168 -7.338
11 H GLY 2 H GLY 2 5.030 0.411 -0.608
12 HA2 GLY 2 2HA GLY 2 4.838 3.272 -1.279
13 HA3 GLY 2 3HA GLY 2 6.021 2.560 -0.193
14 H CYS 3 H CYS 3 5.184 3.219 -3.498
15 HA CYS 3 HA CYS 3 7.944 2.582 -4.269
16 HB2 CYS 3 2HB CYS 3 5.650 1.153 -5.118
17 HB3 CYS 3 3HB CYS 3 6.195 2.109 -6.492
18 H VAL 4 H VAL 4 8.852 4.415 -4.905
19 HA VAL 4 HA VAL 4 7.223 6.332 -6.444
20 HB VAL 4 HB VAL 4 7.819 7.202 -4.214
21 HG11 VAL 4 1HG1 VAL 4 10.641 6.785 -5.183
22 HG12 VAL 4 2HG1 VAL 4 10.213 7.787 -3.794
23 HG13 VAL 4 3HG1 VAL 4 9.869 6.057 -3.775
24 HG21 VAL 4 1HG2 VAL 4 9.472 8.761 -6.147
25 HG22 VAL 4 2HG2 VAL 4 7.745 8.569 -6.445
26 HG23 VAL 4 3HG2 VAL 4 8.304 9.328 -4.954
27 H CYS 5 H CYS 5 8.206 7.400 -8.177
28 HA CYS 5 HA CYS 5 10.889 6.513 -8.950
29 HB2 CYS 5 2HB CYS 5 8.576 6.506 -10.892
30 HB3 CYS 5 3HB CYS 5 10.212 5.915 -11.170
31 H SER 6 H SER 6 12.047 7.971 -10.181
32 HA SER 6 HA SER 6 10.991 10.685 -10.179
33 HB2 SER 6 2HB SER 6 13.251 10.260 -9.269
34 HB3 SER 6 3HB SER 6 13.770 9.685 -10.853
35 HG SER 6 HG SER 6 13.436 12.245 -9.940
36 H GLY 7 H GLY 7 9.538 9.487 -11.977
37 HA2 GLY 7 2HA GLY 7 10.270 10.761 -14.435
38 HA3 GLY 7 3HA GLY 7 10.401 9.012 -14.538
39 H SER 8 H SER 8 8.578 7.782 -14.713
40 HA SER 8 HA SER 8 6.028 9.257 -14.822
41 HB2 SER 8 2HB SER 8 6.880 8.471 -17.042
42 HB3 SER 8 3HB SER 8 6.770 6.814 -16.448
43 HG SER 8 HG SER 8 4.827 8.404 -17.430
44 H THR 9 H THR 9 4.126 7.575 -14.750
45 HA THR 9 HA THR 9 4.323 6.288 -12.186
46 HB THR 9 HB THR 9 1.892 5.506 -13.094
47 HG1 THR 9 HG1 THR 9 2.041 6.515 -15.088
48 HG21 THR 9 1HG2 THR 9 2.952 7.569 -11.412
49 HG22 THR 9 2HG2 THR 9 1.414 6.716 -11.285
50 HG23 THR 9 3HG2 THR 9 1.534 8.178 -12.263
51 H ALA 10 H ALA 10 4.198 5.280 -15.545
52 HA ALA 10 HA ALA 10 3.654 2.560 -15.189
53 HB1 ALA 10 1HB ALA 10 4.392 4.263 -17.330
54 HB2 ALA 10 2HB ALA 10 5.460 2.859 -17.361
55 HB3 ALA 10 3HB ALA 10 3.711 2.638 -17.403
56 H VAL 11 H VAL 11 6.678 4.359 -15.009
57 HA VAL 11 HA VAL 11 8.278 1.976 -14.696
58 HB VAL 11 HB VAL 11 9.245 3.928 -15.798
59 HG11 VAL 11 1HG1 VAL 11 8.072 5.698 -14.651
60 HG12 VAL 11 2HG1 VAL 11 8.870 5.288 -13.131
61 HG13 VAL 11 3HG1 VAL 11 9.809 5.940 -14.475
62 HG21 VAL 11 1HG2 VAL 11 10.427 2.404 -13.772
63 HG22 VAL 11 2HG2 VAL 11 11.243 3.281 -15.066
64 HG23 VAL 11 3HG2 VAL 11 10.979 4.058 -13.505
65 H ALA 12 H ALS 12 6.743 4.341 -12.643
66 HB1 ALA 12 1HB ALS 12 6.247 4.873 -9.131
67 HB2 ALA 12 2HB ALS 12 6.590 5.769 -10.611
68 HB3 ALA 12 3HB ALS 12 5.246 4.629 -10.562
69 H ASN 13 H ASN 13 5.222 2.334 -11.509
70 HA ASN 13 HA ASN 13 5.110 0.505 -9.283
71 HB2 ASN 13 2HB ASN 13 3.101 -0.282 -10.204
72 HB3 ASN 13 3HB ASN 13 3.123 1.420 -10.656
73 HD21 ASN 13 1HD2 ASN 13 3.717 1.973 -12.813
74 HD22 ASN 13 2HD2 ASN 13 3.478 0.842 -14.098
75 H SER 14 H SER 14 6.456 0.552 -12.476
76 HA SER 14 HA SER 14 6.643 -2.134 -13.097
77 HB2 SER 14 2HB SER 14 7.341 -0.530 -14.722
78 HB3 SER 14 3HB SER 14 8.559 0.139 -13.636
79 HG SER 14 HG SER 14 9.601 -1.208 -15.059
80 H HIS 15 H HIS 15 8.783 -0.185 -11.055
81 HA HIS 15 HA HIS 15 10.458 -2.465 -10.442
82 HB2 HIS 15 2HB HIS 15 10.897 0.250 -10.486
83 HB3 HIS 15 3HB HIS 15 10.770 -0.081 -8.761
84 HD1 HIS 15 HD1 HIS 15 12.648 -1.451 -7.677
85 HD2 HIS 15 HD2 HIS 15 13.125 -0.904 -11.768
86 HE1 HIS 15 HE1 HIS 15 15.002 -2.178 -8.182
87 H ASN 16 H NSS 16 8.550 -0.198 -8.449
88 HB2 ASN 16 2HB NSS 16 6.381 -2.184 -8.109
89 HB3 ASN 16 3HB NSS 16 6.959 -3.310 -6.884
90 HD21 ASN 16 1HD2 NSS 16 5.118 -0.330 -7.315
91 HD22 ASN 16 2HD2 NSS 16 4.056 -0.583 -5.976
92 H ALA 17 H ALA 17 7.294 -2.472 -4.616
93 HA ALA 17 HA ALA 17 9.707 -3.920 -4.174
94 HB1 ALA 17 1HB ALA 17 9.738 -1.212 -3.364
95 HB2 ALA 17 2HB ALA 17 9.648 -2.199 -1.905
96 HB3 ALA 17 3HB ALA 17 10.951 -2.458 -3.065
97 H GLY 18 H GLY 18 7.036 -2.316 -2.434
98 HA2 GLY 18 2HA GLY 18 5.291 -4.047 -1.734
99 HA3 GLY 18 3HA GLY 18 6.645 -4.817 -0.920
100 HA PRO 19 HA PRO 19 4.464 -1.635 1.828
101 HB2 PRO 19 2HB PRO 19 3.375 -3.386 3.594
102 HB3 PRO 19 3HB PRO 19 2.533 -2.840 2.139
103 HG2 PRO 19 2HG PRO 19 4.040 -5.382 2.613
104 HG3 PRO 19 3HG PRO 19 2.485 -5.139 1.796
105 HD2 PRO 19 2HD PRO 19 4.806 -5.477 0.442
106 HD3 PRO 19 3HD PRO 19 3.481 -4.465 -0.170
107 H ALA 20 H ALA 20 6.349 -4.541 2.387
108 HA ALA 20 HA ALA 20 7.390 -3.460 4.900
109 HB1 ALA 20 1HB ALA 20 6.617 -5.901 4.556
110 HB2 ALA 20 2HB ALA 20 8.173 -6.111 3.753
111 HB3 ALA 20 3HB ALA 20 8.113 -5.597 5.438
112 H TYR 21 H TYR 21 8.042 -2.429 2.156
113 HA TYR 21 HA TYR 21 10.916 -2.311 2.546
114 HB2 TYR 21 2HB TYR 21 9.708 -3.271 -0.056
115 HB3 TYR 21 3HB TYR 21 11.404 -2.867 0.185
116 HD1 TYR 21 HD1 TYR 21 12.782 -4.262 1.749
117 HD2 TYR 21 HD2 TYR 21 8.853 -5.390 0.566
118 HE1 TYR 21 HE1 TYR 21 13.233 -6.570 2.471
119 HE2 TYR 21 HE2 TYR 21 9.293 -7.700 1.287
120 HH TYR 21 HH TYR 21 11.206 -8.693 3.217
121 H CYS 22 H CYS 22 11.918 -0.560 1.432
122 HA CYS 22 HA CYS 22 10.048 1.400 0.283
123 HB2 CYS 22 2HB CYS 22 12.195 1.890 2.350
124 HB3 CYS 22 3HB CYS 22 11.435 3.180 1.425
125 H VAL 23 H VAL 23 10.680 2.258 -1.594
126 HA VAL 23 HA VAL 23 13.525 2.119 -2.328
127 HB VAL 23 HB VAL 23 11.237 1.402 -4.168
128 HG11 VAL 23 1HG1 VAL 23 13.693 0.594 -5.243
129 HG12 VAL 23 2HG1 VAL 23 12.646 1.894 -5.815
130 HG13 VAL 23 3HG1 VAL 23 13.940 2.242 -4.669
131 HG21 VAL 23 1HG2 VAL 23 13.385 -0.351 -2.978
132 HG22 VAL 23 2HG2 VAL 23 11.688 -0.338 -2.499
133 HG23 VAL 23 3HG2 VAL 23 12.142 -0.859 -4.122
134 H GLY 24 H GLY 24 14.320 3.918 -3.257
135 HA2 GLY 24 2HA GLY 24 12.388 5.948 -4.188
136 HA3 GLY 24 3HA GLY 24 13.733 6.378 -3.142
137 H TYR 25 H TYR 25 12.697 5.877 -6.347
138 HA TYR 25 HA TYR 25 15.253 5.477 -7.548
139 HB2 TYR 25 2HB TYR 25 12.869 5.000 -8.497
140 HB3 TYR 25 3HB TYR 25 12.925 6.683 -9.007
141 HD1 TYR 25 HD1 TYR 25 14.988 3.572 -9.173
142 HD2 TYR 25 HD2 TYR 25 13.786 7.172 -11.095
143 HE1 TYR 25 HE1 TYR 25 16.251 2.915 -11.178
144 HE2 TYR 25 HE2 TYR 25 15.045 6.525 -13.107
145 HH TYR 25 HH TYR 25 17.216 4.865 -13.463
146 H CYS 26 H CYS 26 16.789 6.973 -7.280
147 HA CYS 26 HA CYS 26 16.516 9.536 -8.482
148 HB2 CYS 26 2HB CYS 26 17.042 10.820 -6.351
149 HB3 CYS 26 3HB CYS 26 15.392 10.226 -6.510
150 H GLY 27 H GLY 27 18.307 8.292 -9.494
151 HA2 GLY 27 2HA GLY 27 20.819 8.794 -8.025
152 HA3 GLY 27 3HA GLY 27 20.573 7.312 -8.937
153 H ASN 28 H ASN 28 19.437 10.437 -10.032
154 HA ASN 28 HA ASN 28 21.681 10.697 -11.878
155 HB2 ASN 28 2HB ASN 28 18.823 10.234 -12.702
156 HB3 ASN 28 3HB ASN 28 19.948 11.092 -13.751
157 HD21 ASN 28 1HD2 ASN 28 21.991 9.948 -14.237
158 HD22 ASN 28 2HD2 ASN 28 21.922 8.236 -14.461
159 H ASN 29 H ASN 29 20.796 12.221 -9.597
160 HA ASN 29 HA ASN 29 20.651 14.821 -10.873
161 HB2 ASN 29 2HB ASN 29 18.548 13.923 -8.889
162 HB3 ASN 29 3HB ASN 29 18.746 15.571 -9.478
163 HD21 ASN 29 1HD2 ASN 29 17.490 12.458 -10.106
164 HD22 ASN 29 2HD2 ASN 29 16.769 12.808 -11.637
165 H GLY 30 H GLY 30 20.230 13.369 -7.633
166 HA2 GLY 30 2HA GLY 30 22.736 14.241 -6.663
167 HA3 GLY 30 3HA GLY 30 21.501 15.406 -6.208
168 H VAL 31 H VAL 31 22.721 14.326 -4.157
169 HA VAL 31 HA VAL 31 21.636 11.849 -3.257
170 HB VAL 31 HB VAL 31 22.865 14.023 -1.561
171 HG11 VAL 31 1HG1 VAL 31 23.585 11.857 -0.296
172 HG12 VAL 31 2HG1 VAL 31 21.963 12.515 -0.068
173 HG13 VAL 31 3HG1 VAL 31 22.215 11.139 -1.143
174 HG21 VAL 31 1HG2 VAL 31 24.983 12.753 -1.858
175 HG22 VAL 31 2HG2 VAL 31 24.184 11.790 -3.101
176 HG23 VAL 31 3HG2 VAL 31 24.406 13.524 -3.335
177 H VAL 32 H VAL 32 20.753 15.224 -2.855
178 HA VAL 32 HA VAL 32 18.976 15.070 -0.741
179 HB VAL 32 HB VAL 32 18.630 16.770 -3.215
180 HG11 VAL 32 1HG1 VAL 32 17.813 18.073 -0.837
181 HG12 VAL 32 2HG1 VAL 32 16.824 17.586 -2.215
182 HG13 VAL 32 3HG1 VAL 32 17.058 16.480 -0.861
183 HG21 VAL 32 1HG2 VAL 32 20.458 16.959 -0.885
184 HG22 VAL 32 2HG2 VAL 32 20.708 17.445 -2.562
185 HG23 VAL 32 3HG2 VAL 32 19.739 18.452 -1.487
186 H THR 33 H THR 33 18.174 14.809 -4.208
187 HA THR 33 HA THR 33 15.478 14.202 -3.923
188 HB THR 33 HB THR 33 16.944 12.824 -6.111
189 HG1 THR 33 HG1 THR 33 18.025 14.567 -6.609
190 HG21 THR 33 1HG2 THR 33 14.368 14.195 -5.660
191 HG22 THR 33 2HG2 THR 33 14.743 12.778 -6.640
192 HG23 THR 33 3HG2 THR 33 15.076 14.393 -7.262
193 H ARG 34 H RSS 34 18.267 12.011 -4.062
194 HB2 ARG 34 2HB RSS 34 19.341 9.643 -4.324
195 HB3 ARG 34 3HB RSS 34 19.546 10.399 -2.749
196 HG2 ARG 34 2HG RSS 34 18.177 7.821 -2.649
197 HG3 ARG 34 3HG RSS 34 19.824 7.740 -3.276
198 HD2 ARG 34 2HD RSS 34 20.678 8.827 -1.303
199 HD3 ARG 34 3HD RSS 34 19.043 9.094 -0.699
200 HE ARG 34 HE RSS 34 19.063 6.970 0.125
201 HH11 ARG 34 1HH2 RSS 34 19.875 4.868 0.485
202 HH12 ARG 34 2HH2 RSS 34 21.193 4.288 -0.476
203 HH21 ARG 34 1HH1 RSS 34 21.490 7.220 -2.359
204 HH22 ARG 34 2HH1 RSS 34 22.113 5.625 -2.093
205 H ASN 35 H ASN 35 17.377 11.839 -1.455
206 HA ASN 35 HA ASN 35 16.502 9.974 0.570
207 HB2 ASN 35 2HB ASN 35 17.038 12.948 0.637
208 HB3 ASN 35 3HB ASN 35 16.532 12.016 2.043
209 HD21 ASN 35 1HD2 ASN 35 19.120 13.308 0.569
210 HD22 ASN 35 2HD2 ASN 35 20.361 12.259 1.154
211 H ALA 36 H ALA 36 15.155 12.761 -1.150
212 HA ALA 36 HA ALA 36 12.710 12.914 0.205
213 HB1 ALA 36 1HB ALA 36 11.931 14.242 -1.624
214 HB2 ALA 36 2HB ALA 36 13.630 14.630 -1.355
215 HB3 ALA 36 3HB ALA 36 13.166 13.583 -2.696
216 H ASN 37 H ASN 37 13.697 10.994 -2.593
217 HA ASN 37 HA ASN 37 11.139 9.977 -3.220
218 HB2 ASN 37 2HB ASN 37 13.933 9.006 -3.804
219 HB3 ASN 37 3HB ASN 37 12.508 8.130 -4.355
220 HD21 ASN 37 1HD2 ASN 37 11.646 8.697 -6.226
221 HD22 ASN 37 2HD2 ASN 37 11.996 10.147 -7.099
222 H ALA 38 H ALA 38 13.868 8.381 -1.562
223 HA ALA 38 HA ALA 38 12.523 6.076 -0.789
224 HB1 ALA 38 1HB ALA 38 14.262 5.884 0.980
225 HB2 ALA 38 2HB ALA 38 14.911 6.202 -0.629
226 HB3 ALA 38 3HB ALA 38 14.810 7.506 0.555
227 H ASN 39 H ASN 39 12.368 9.283 0.510
228 HA ASN 39 HA ASN 39 11.327 8.598 3.069
229 HB2 ASN 39 2HB ASN 39 11.646 11.090 1.478
230 HB3 ASN 39 3HB ASN 39 10.445 11.110 2.766
231 HD21 ASN 39 1HD2 ASN 39 12.914 12.595 2.571
232 HD22 ASN 39 2HD2 ASN 39 13.861 12.161 3.949
233 H VAL 40 H VAL 40 9.916 9.217 -0.077
234 HA VAL 40 HA VAL 40 7.213 9.345 0.890
235 HB VAL 40 HB VAL 40 8.194 8.913 -1.935
236 HG11 VAL 40 1HG1 VAL 40 5.900 10.029 -2.378
237 HG12 VAL 40 2HG1 VAL 40 5.953 8.314 -1.967
238 HG13 VAL 40 3HG1 VAL 40 5.514 9.502 -0.740
239 HG21 VAL 40 1HG2 VAL 40 7.249 11.510 -1.684
240 HG22 VAL 40 2HG2 VAL 40 8.207 11.252 -0.226
241 HG23 VAL 40 3HG2 VAL 40 8.936 11.012 -1.814
242 H ALA 41 H ALA 41 9.362 6.867 -0.301
243 HA ALA 41 HA ALA 41 7.256 4.908 -0.609
244 HB1 ALA 41 1HB ALA 41 10.256 4.658 -0.777
245 HB2 ALA 41 2HB ALA 41 9.118 3.353 -1.110
246 HB3 ALA 41 3HB ALA 41 9.125 4.796 -2.123
247 H LYS 42 H KSS 42 10.068 5.331 1.539
248 HB2 LYS 42 2HB KSS 42 11.076 4.233 4.777
249 HB3 LYS 42 3HB KSS 42 11.626 4.780 3.198
250 HG2 LYS 42 2HG KSS 42 10.320 6.850 3.492
251 HG3 LYS 42 3HG KSS 42 9.865 6.304 5.108
252 HD2 LYS 42 2HD KSS 42 12.721 6.646 4.209
253 HD3 LYS 42 3HD KSS 42 11.797 7.913 5.021
254 HE2 LYS 42 2HE KSS 42 11.360 5.882 6.718
255 HE3 LYS 42 3HE KSS 42 12.935 5.400 6.089
256 HZ1 LYS 42 1HZ KSS 42 13.379 7.969 6.589
257 HZ2 LYS 42 2HZ KSS 42 13.655 6.746 7.724
258 HZ3 LYS 42 3HZ KSS 42 12.226 7.649 7.785
259 H THR 43 H THR 43 7.985 6.185 3.135
260 HA THR 43 HA THR 43 6.667 5.761 5.657
261 HB THR 43 HB THR 43 5.222 7.697 4.898
262 HG1 THR 43 HG1 THR 43 5.367 7.723 2.720
263 HG21 THR 43 1HG2 THR 43 8.152 7.750 5.337
264 HG22 THR 43 2HG2 THR 43 6.853 8.498 6.267
265 HG23 THR 43 3HG2 THR 43 7.406 9.243 4.767
266 H ALA 44 H ALA 44 5.879 5.326 2.248
267 HA ALA 44 HA ALA 44 3.160 4.527 2.810
268 HB1 ALA 44 1HB ALA 44 3.108 5.438 0.749
269 HB2 ALA 44 2HB ALA 44 4.786 5.019 0.403
270 HB3 ALA 44 3HB ALA 44 3.521 3.800 0.241
Start of MODEL 6
1 H1 TRP 1 H TRP 1 1.444 -1.061 0.138
2 HA TRP 1 HA TRP 1 2.998 -0.910 -1.539
3 HB2 TRP 1 2HB TRP 1 0.760 0.903 -2.414
4 HB3 TRP 1 3HB TRP 1 2.150 0.596 -3.452
5 HD1 TRP 1 HD1 TRP 1 -0.288 -1.675 -1.433
6 HE1 TRP 1 HE1 TRP 1 -0.950 -3.648 -2.947
7 HE3 TRP 1 HE3 TRP 1 2.428 -0.457 -5.589
8 HZ2 TRP 1 HZ2 TRP 1 -0.394 -4.568 -5.557
9 HZ3 TRP 1 HZ3 TRP 1 2.308 -1.936 -7.552
10 HH2 TRP 1 HH2 TRP 1 0.926 -3.949 -7.534
11 H GLY 2 H GLY 2 4.959 -0.050 -1.436
12 HA2 GLY 2 2HA GLY 2 5.184 2.884 -1.189
13 HA3 GLY 2 3HA GLY 2 6.174 1.807 -0.215
14 H CYS 3 H CYS 3 5.641 3.146 -3.383
15 HA CYS 3 HA CYS 3 8.385 2.500 -4.097
16 HB2 CYS 3 2HB CYS 3 6.142 1.060 -5.164
17 HB3 CYS 3 3HB CYS 3 6.900 1.992 -6.451
18 H VAL 4 H VAL 4 9.232 4.387 -4.649
19 HA VAL 4 HA VAL 4 7.579 6.272 -6.204
20 HB VAL 4 HB VAL 4 8.086 7.072 -3.905
21 HG11 VAL 4 1HG1 VAL 4 10.801 7.848 -4.299
22 HG12 VAL 4 2HG1 VAL 4 10.110 6.844 -3.023
23 HG13 VAL 4 3HG1 VAL 4 10.668 6.104 -4.524
24 HG21 VAL 4 1HG2 VAL 4 8.556 9.276 -4.547
25 HG22 VAL 4 2HG2 VAL 4 9.565 8.762 -5.899
26 HG23 VAL 4 3HG2 VAL 4 7.816 8.553 -5.975
27 H CYS 5 H CYS 5 8.602 7.470 -7.842
28 HA CYS 5 HA CYS 5 11.337 6.704 -8.550
29 HB2 CYS 5 2HB CYS 5 9.062 6.630 -10.539
30 HB3 CYS 5 3HB CYS 5 10.743 6.204 -10.839
31 H SER 6 H SER 6 12.468 8.235 -9.734
32 HA SER 6 HA SER 6 11.382 10.918 -9.590
33 HB2 SER 6 2HB SER 6 13.672 10.571 -8.844
34 HB3 SER 6 3HB SER 6 14.113 9.906 -10.416
35 HG SER 6 HG SER 6 14.070 12.461 -9.637
36 H GLY 7 H GLY 7 9.840 9.724 -11.359
37 HA2 GLY 7 2HA GLY 7 10.355 11.172 -13.778
38 HA3 GLY 7 3HA GLY 7 10.548 9.438 -13.993
39 H SER 8 H SER 8 8.794 8.264 -14.439
40 HA SER 8 HA SER 8 6.179 9.591 -14.192
41 HB2 SER 8 2HB SER 8 7.429 8.198 -16.354
42 HB3 SER 8 3HB SER 8 5.996 7.295 -15.862
43 HG SER 8 HG SER 8 6.175 9.978 -16.730
44 H THR 9 H THR 9 4.346 7.827 -14.144
45 HA THR 9 HA THR 9 4.718 6.394 -11.679
46 HB THR 9 HB THR 9 2.301 6.256 -13.480
47 HG1 THR 9 HG1 THR 9 2.029 8.299 -13.027
48 HG21 THR 9 1HG2 THR 9 1.170 5.991 -11.226
49 HG22 THR 9 2HG2 THR 9 2.783 5.770 -10.546
50 HG23 THR 9 3HG2 THR 9 2.171 4.638 -11.752
51 H ALA 10 H ALA 10 4.646 5.620 -15.074
52 HA ALA 10 HA ALA 10 4.177 2.844 -14.864
53 HB1 ALA 10 1HB ALA 10 4.651 2.722 -17.123
54 HB2 ALA 10 2HB ALA 10 4.140 4.400 -16.941
55 HB3 ALA 10 3HB ALA 10 5.856 4.008 -17.046
56 H VAL 11 H VAL 11 7.081 4.800 -14.633
57 HA VAL 11 HA VAL 11 8.838 2.502 -14.604
58 HB VAL 11 HB VAL 11 9.645 4.580 -15.586
59 HG11 VAL 11 1HG1 VAL 11 9.289 5.724 -12.819
60 HG12 VAL 11 2HG1 VAL 11 10.135 6.528 -14.143
61 HG13 VAL 11 3HG1 VAL 11 8.409 6.186 -14.276
62 HG21 VAL 11 1HG2 VAL 11 11.393 4.569 -13.252
63 HG22 VAL 11 2HG2 VAL 11 11.023 2.953 -13.854
64 HG23 VAL 11 3HG2 VAL 11 11.741 4.152 -14.930
65 H ALA 12 H ALS 12 7.279 4.616 -12.304
66 HB1 ALA 12 1HB ALS 12 5.891 4.711 -10.133
67 HB2 ALA 12 2HB ALS 12 6.962 4.879 -8.742
68 HB3 ALA 12 3HB ALS 12 7.203 5.889 -10.167
69 H ASN 13 H ASN 13 5.852 2.519 -11.242
70 HA ASN 13 HA ASN 13 5.852 0.529 -9.171
71 HB2 ASN 13 2HB ASN 13 3.848 -0.238 -10.097
72 HB3 ASN 13 3HB ASN 13 3.829 1.479 -10.489
73 HD21 ASN 13 1HD2 ASN 13 4.331 2.124 -12.627
74 HD22 ASN 13 2HD2 ASN 13 4.126 1.031 -13.950
75 H SER 14 H SER 14 7.162 0.826 -12.364
76 HA SER 14 HA SER 14 7.419 -1.806 -13.165
77 HB2 SER 14 2HB SER 14 8.066 -0.139 -14.714
78 HB3 SER 14 3HB SER 14 9.206 0.587 -13.581
79 HG SER 14 HG SER 14 9.745 -1.183 -15.414
80 H HIS 15 H HIS 15 9.180 -0.057 -10.717
81 HA HIS 15 HA HIS 15 11.038 -2.292 -10.356
82 HB2 HIS 15 2HB HIS 15 11.608 0.306 -10.349
83 HB3 HIS 15 3HB HIS 15 11.162 0.153 -8.652
84 HD1 HIS 15 HD1 HIS 15 13.945 -0.305 -10.931
85 HD2 HIS 15 HD2 HIS 15 12.782 -1.874 -7.263
86 HE1 HIS 15 HE1 HIS 15 16.015 -1.353 -9.961
87 H ASN 16 H NSS 16 9.113 -0.171 -8.223
88 HB2 ASN 16 2HB NSS 16 6.937 -2.169 -8.030
89 HB3 ASN 16 3HB NSS 16 7.508 -3.382 -6.888
90 HD21 ASN 16 1HD2 NSS 16 5.672 -0.377 -7.114
91 HD22 ASN 16 2HD2 NSS 16 4.609 -0.719 -5.796
92 H ALA 17 H ALA 17 7.842 -2.709 -4.565
93 HA ALA 17 HA ALA 17 10.232 -4.209 -4.221
94 HB1 ALA 17 1HB ALA 17 11.316 -2.264 -3.512
95 HB2 ALA 17 2HB ALA 17 9.906 -1.694 -2.619
96 HB3 ALA 17 3HB ALA 17 10.838 -3.063 -2.014
97 H GLY 18 H GLY 18 7.398 -2.773 -2.659
98 HA2 GLY 18 2HA GLY 18 6.066 -5.055 -2.013
99 HA3 GLY 18 3HA GLY 18 7.208 -4.868 -0.690
100 HA PRO 19 HA PRO 19 3.250 -2.302 -0.096
101 HB2 PRO 19 2HB PRO 19 2.095 -3.824 1.833
102 HB3 PRO 19 3HB PRO 19 1.783 -4.059 0.109
103 HG2 PRO 19 2HG PRO 19 3.632 -5.562 1.921
104 HG3 PRO 19 3HG PRO 19 2.532 -6.186 0.679
105 HD2 PRO 19 2HD PRO 19 5.190 -5.895 0.256
106 HD3 PRO 19 3HD PRO 19 3.991 -5.698 -1.038
107 H ALA 20 H ALA 20 5.159 -4.140 2.275
108 HA ALA 20 HA ALA 20 5.056 -1.832 4.092
109 HB1 ALA 20 1HB ALA 20 5.834 -4.697 4.625
110 HB2 ALA 20 2HB ALA 20 5.844 -3.400 5.822
111 HB3 ALA 20 3HB ALA 20 4.324 -3.911 5.088
112 H TYR 21 H TYR 21 6.784 -2.161 1.659
113 HA TYR 21 HA TYR 21 9.411 -1.956 2.978
114 HB2 TYR 21 2HB TYR 21 8.638 -2.927 0.236
115 HB3 TYR 21 3HB TYR 21 10.281 -2.406 0.596
116 HD1 TYR 21 HD1 TYR 21 7.681 -4.598 2.165
117 HD2 TYR 21 HD2 TYR 21 11.766 -4.090 1.089
118 HE1 TYR 21 HE1 TYR 21 8.187 -6.834 3.055
119 HE2 TYR 21 HE2 TYR 21 12.283 -6.326 1.975
120 HH TYR 21 HH TYR 21 9.752 -8.495 3.082
121 H CYS 22 H CYS 22 10.856 -0.329 2.249
122 HA CYS 22 HA CYS 22 9.555 1.894 0.817
123 HB2 CYS 22 2HB CYS 22 11.462 2.079 3.159
124 HB3 CYS 22 3HB CYS 22 10.835 3.451 2.251
125 H VAL 23 H VAL 23 10.570 2.498 -0.972
126 HA VAL 23 HA VAL 23 13.481 2.249 -1.145
127 HB VAL 23 HB VAL 23 11.637 1.189 -3.291
128 HG11 VAL 23 1HG1 VAL 23 14.569 1.654 -3.117
129 HG12 VAL 23 2HG1 VAL 23 13.996 0.233 -3.994
130 HG13 VAL 23 3HG1 VAL 23 13.473 1.845 -4.485
131 HG21 VAL 23 1HG2 VAL 23 11.526 -0.457 -1.674
132 HG22 VAL 23 2HG2 VAL 23 12.906 -0.987 -2.635
133 HG23 VAL 23 3HG2 VAL 23 13.167 -0.155 -1.102
134 H GLY 24 H GLY 24 14.466 3.713 -2.536
135 HA2 GLY 24 2HA GLY 24 12.665 5.670 -3.821
136 HA3 GLY 24 3HA GLY 24 14.035 6.188 -2.850
137 H TYR 25 H TYR 25 13.005 5.722 -5.932
138 HA TYR 25 HA TYR 25 15.680 5.057 -6.952
139 HB2 TYR 25 2HB TYR 25 13.793 3.679 -7.773
140 HB3 TYR 25 3HB TYR 25 13.039 5.128 -8.429
141 HD1 TYR 25 HD1 TYR 25 13.983 6.240 -10.394
142 HD2 TYR 25 HD2 TYR 25 15.689 2.656 -8.862
143 HE1 TYR 25 HE1 TYR 25 15.228 5.943 -12.494
144 HE2 TYR 25 HE2 TYR 25 16.940 2.350 -10.958
145 HH TYR 25 HH TYR 25 17.754 3.679 -12.828
146 H CYS 26 H CYS 26 16.906 6.767 -7.361
147 HA CYS 26 HA CYS 26 15.628 9.193 -8.439
148 HB2 CYS 26 2HB CYS 26 18.292 9.060 -7.023
149 HB3 CYS 26 3HB CYS 26 17.362 10.499 -7.430
150 H GLY 27 H GLY 27 16.418 10.120 -10.282
151 HA2 GLY 27 2HA GLY 27 18.872 9.077 -11.470
152 HA3 GLY 27 3HA GLY 27 17.385 8.802 -12.366
153 H ASN 28 H ASN 28 19.967 10.616 -12.503
154 HA ASN 28 HA ASN 28 20.501 12.598 -13.480
155 HB2 ASN 28 2HB ASN 28 18.263 11.713 -14.826
156 HB3 ASN 28 3HB ASN 28 17.805 13.345 -14.346
157 HD21 ASN 28 1HD2 ASN 28 18.125 12.592 -16.990
158 HD22 ASN 28 2HD2 ASN 28 19.488 13.424 -17.650
159 H ASN 29 H ASN 29 19.445 12.447 -10.710
160 HA ASN 29 HA ASN 29 18.612 15.260 -10.432
161 HB2 ASN 29 2HB ASN 29 17.988 13.199 -8.343
162 HB3 ASN 29 3HB ASN 29 17.178 14.728 -8.672
163 HD21 ASN 29 1HD2 ASN 29 16.421 14.734 -11.138
164 HD22 ASN 29 2HD2 ASN 29 15.442 13.370 -11.549
165 H GLY 30 H GLY 30 19.912 12.685 -8.325
166 HA2 GLY 30 2HA GLY 30 22.443 13.363 -7.886
167 HA3 GLY 30 3HA GLY 30 21.623 14.654 -7.021
168 H VAL 31 H VAL 31 22.766 13.789 -5.148
169 HA VAL 31 HA VAL 31 21.906 11.205 -4.147
170 HB VAL 31 HB VAL 31 23.602 13.269 -2.740
171 HG11 VAL 31 1HG1 VAL 31 22.681 10.559 -2.110
172 HG12 VAL 31 2HG1 VAL 31 24.411 10.818 -1.880
173 HG13 VAL 31 3HG1 VAL 31 23.245 11.844 -1.043
174 HG21 VAL 31 1HG2 VAL 31 25.541 12.022 -3.545
175 HG22 VAL 31 2HG2 VAL 31 24.482 10.961 -4.475
176 HG23 VAL 31 3HG2 VAL 31 24.603 12.670 -4.891
177 H VAL 32 H VAL 32 21.434 14.624 -3.401
178 HA VAL 32 HA VAL 32 20.095 14.435 -0.987
179 HB VAL 32 HB VAL 32 19.516 16.380 -3.226
180 HG11 VAL 32 1HG1 VAL 32 18.232 15.996 -0.732
181 HG12 VAL 32 2HG1 VAL 32 19.167 17.489 -0.629
182 HG13 VAL 32 3HG1 VAL 32 17.973 17.282 -1.911
183 HG21 VAL 32 1HG2 VAL 32 21.737 16.766 -2.817
184 HG22 VAL 32 2HG2 VAL 32 21.009 17.817 -1.602
185 HG23 VAL 32 3HG2 VAL 32 21.635 16.235 -1.138
186 H THR 33 H THR 33 18.507 14.787 -4.165
187 HA THR 33 HA THR 33 15.923 14.210 -3.284
188 HB THR 33 HB THR 33 16.413 13.269 -6.000
189 HG1 THR 33 HG1 THR 33 17.599 14.872 -6.721
190 HG21 THR 33 1HG2 THR 33 14.817 15.544 -4.816
191 HG22 THR 33 2HG2 THR 33 14.218 13.938 -5.231
192 HG23 THR 33 3HG2 THR 33 14.748 15.037 -6.503
193 H ARG 34 H RSS 34 18.462 12.071 -4.497
194 HB2 ARG 34 2HB RSS 34 19.340 9.812 -5.473
195 HB3 ARG 34 3HB RSS 34 19.872 10.190 -3.840
196 HG2 ARG 34 2HG RSS 34 18.406 7.664 -4.094
197 HG3 ARG 34 3HG RSS 34 19.944 7.726 -4.958
198 HD2 ARG 34 2HD RSS 34 20.769 8.766 -2.669
199 HD3 ARG 34 3HD RSS 34 19.387 7.868 -2.041
200 HE ARG 34 HE RSS 34 21.858 6.780 -3.042
201 HH11 ARG 34 1HH2 RSS 34 22.146 4.524 -2.873
202 HH12 ARG 34 2HH2 RSS 34 20.782 3.514 -2.530
203 HH21 ARG 34 1HH1 RSS 34 18.497 6.158 -2.381
204 HH22 ARG 34 2HH1 RSS 34 18.706 4.443 -2.251
205 H ASN 35 H ASN 35 18.058 11.326 -1.870
206 HA ASN 35 HA ASN 35 17.465 9.061 -0.177
207 HB2 ASN 35 2HB ASN 35 18.211 11.928 0.416
208 HB3 ASN 35 3HB ASN 35 17.865 10.744 1.673
209 HD21 ASN 35 1HD2 ASN 35 20.299 12.239 0.252
210 HD22 ASN 35 2HD2 ASN 35 21.523 11.022 0.317
211 H ALA 36 H ALA 36 16.050 12.269 -0.772
212 HA ALA 36 HA ALA 36 13.913 12.167 0.971
213 HB1 ALA 36 1HB ALA 36 14.755 13.877 -1.020
214 HB2 ALA 36 2HB ALA 36 13.171 13.342 -1.582
215 HB3 ALA 36 3HB ALA 36 13.336 14.093 0.006
216 H ASN 37 H ASN 37 14.264 10.662 -2.186
217 HA ASN 37 HA ASN 37 11.655 9.962 -2.750
218 HB2 ASN 37 2HB ASN 37 14.288 8.644 -3.330
219 HB3 ASN 37 3HB ASN 37 12.786 7.852 -3.797
220 HD21 ASN 37 1HD2 ASN 37 12.294 8.188 -5.827
221 HD22 ASN 37 2HD2 ASN 37 12.578 9.637 -6.724
222 H ALA 38 H ALA 38 14.025 8.113 -0.842
223 HA ALA 38 HA ALA 38 12.392 5.946 -0.201
224 HB1 ALA 38 1HB ALA 38 13.916 5.635 1.744
225 HB2 ALA 38 2HB ALA 38 14.750 5.841 0.203
226 HB3 ALA 38 3HB ALA 38 14.664 7.182 1.345
227 H ASN 39 H ASN 39 12.415 9.184 1.026
228 HA ASN 39 HA ASN 39 11.071 8.670 3.480
229 HB2 ASN 39 2HB ASN 39 12.403 10.782 2.681
230 HB3 ASN 39 3HB ASN 39 10.843 11.289 2.039
231 HD21 ASN 39 1HD2 ASN 39 11.387 13.038 3.644
232 HD22 ASN 39 2HD2 ASN 39 10.796 12.824 5.253
233 H VAL 40 H VAL 40 10.031 9.265 0.195
234 HA VAL 40 HA VAL 40 7.273 9.690 0.872
235 HB VAL 40 HB VAL 40 8.528 9.044 -1.799
236 HG11 VAL 40 1HG1 VAL 40 5.770 10.031 -1.087
237 HG12 VAL 40 2HG1 VAL 40 6.427 9.983 -2.724
238 HG13 VAL 40 3HG1 VAL 40 6.187 8.485 -1.825
239 HG21 VAL 40 1HG2 VAL 40 9.433 11.097 -1.178
240 HG22 VAL 40 2HG2 VAL 40 8.022 11.549 -2.134
241 HG23 VAL 40 3HG2 VAL 40 7.953 11.617 -0.373
242 H ALA 41 H ALA 41 9.277 6.961 0.026
243 HA ALA 41 HA ALA 41 7.026 5.189 -0.384
244 HB1 ALA 41 1HB ALA 41 9.998 4.874 -0.479
245 HB2 ALA 41 2HB ALA 41 8.954 3.454 -0.409
246 HB3 ALA 41 3HB ALA 41 8.800 4.596 -1.744
247 H LYS 42 H KSS 42 9.665 5.488 1.990
248 HB2 LYS 42 2HB KSS 42 10.264 4.517 5.372
249 HB3 LYS 42 3HB KSS 42 11.018 4.888 3.826
250 HG2 LYS 42 2HG KSS 42 11.034 6.982 4.623
251 HG3 LYS 42 3HG KSS 42 9.356 6.999 4.077
252 HD2 LYS 42 2HD KSS 42 9.078 7.725 6.229
253 HD3 LYS 42 3HD KSS 42 8.929 5.984 6.476
254 HE2 LYS 42 2HE KSS 42 10.737 5.942 7.775
255 HE3 LYS 42 3HE KSS 42 11.691 6.817 6.578
256 HZ1 LYS 42 1HZ KSS 42 10.210 7.837 8.883
257 HZ2 LYS 42 2HZ KSS 42 10.282 8.818 7.507
258 HZ3 LYS 42 3HZ KSS 42 11.710 8.317 8.264
259 H THR 43 H THR 43 7.499 6.571 3.312
260 HA THR 43 HA THR 43 5.926 6.380 5.723
261 HB THR 43 HB THR 43 4.717 8.388 4.682
262 HG1 THR 43 HG1 THR 43 5.653 7.787 2.516
263 HG21 THR 43 1HG2 THR 43 6.427 9.906 5.375
264 HG22 THR 43 2HG2 THR 43 7.689 8.710 5.082
265 HG23 THR 43 3HG2 THR 43 6.546 8.479 6.404
266 H ALA 44 H ALA 44 5.455 5.842 2.275
267 HA ALA 44 HA ALA 44 2.630 5.408 2.483
268 HB1 ALA 44 1HB ALA 44 2.727 5.627 0.279
269 HB2 ALA 44 2HB ALA 44 4.482 5.768 0.397
270 HB3 ALA 44 3HB ALA 44 3.739 4.188 0.145
Start of MODEL 7
1 H1 TRP 1 H TRP 1 1.707 -2.020 -0.229
2 HA TRP 1 HA TRP 1 2.144 -0.929 -2.179
3 HB2 TRP 1 2HB TRP 1 -0.317 -0.337 -1.998
4 HB3 TRP 1 3HB TRP 1 0.189 1.195 -1.291
5 HD1 TRP 1 HD1 TRP 1 0.230 3.074 -3.011
6 HE1 TRP 1 HE1 TRP 1 0.682 3.268 -5.537
7 HE3 TRP 1 HE3 TRP 1 1.247 -1.831 -4.033
8 HZ2 TRP 1 HZ2 TRP 1 1.377 1.567 -7.680
9 HZ3 TRP 1 HZ3 TRP 1 1.795 -2.464 -6.347
10 HH2 TRP 1 HH2 TRP 1 1.858 -0.799 -8.131
11 H GLY 2 H GLY 2 4.202 -0.253 -2.054
12 HA2 GLY 2 2HA GLY 2 4.670 2.501 -1.218
13 HA3 GLY 2 3HA GLY 2 5.556 1.260 -0.344
14 H CYS 3 H CYS 3 5.186 2.937 -3.374
15 HA CYS 3 HA CYS 3 7.904 2.241 -4.092
16 HB2 CYS 3 2HB CYS 3 5.664 0.888 -5.276
17 HB3 CYS 3 3HB CYS 3 6.466 1.868 -6.499
18 H VAL 4 H VAL 4 8.844 4.060 -4.714
19 HA VAL 4 HA VAL 4 7.202 6.108 -6.058
20 HB VAL 4 HB VAL 4 7.913 6.775 -3.777
21 HG11 VAL 4 1HG1 VAL 4 10.390 5.686 -4.628
22 HG12 VAL 4 2HG1 VAL 4 10.637 7.399 -4.284
23 HG13 VAL 4 3HG1 VAL 4 9.962 6.339 -3.047
24 HG21 VAL 4 1HG2 VAL 4 8.509 8.970 -4.357
25 HG22 VAL 4 2HG2 VAL 4 9.369 8.446 -5.806
26 HG23 VAL 4 3HG2 VAL 4 7.608 8.368 -5.748
27 H CYS 5 H CYS 5 8.174 7.324 -7.714
28 HA CYS 5 HA CYS 5 10.805 6.452 -8.653
29 HB2 CYS 5 2HB CYS 5 8.378 6.543 -10.456
30 HB3 CYS 5 3HB CYS 5 10.015 6.087 -10.918
31 H SER 6 H SER 6 11.907 7.966 -9.899
32 HA SER 6 HA SER 6 10.876 10.687 -9.660
33 HB2 SER 6 2HB SER 6 13.308 11.176 -10.515
34 HB3 SER 6 3HB SER 6 13.053 10.656 -8.849
35 HG SER 6 HG SER 6 14.741 9.517 -10.022
36 H GLY 7 H GLY 7 9.340 9.733 -11.470
37 HA2 GLY 7 2HA GLY 7 10.004 11.125 -13.858
38 HA3 GLY 7 3HA GLY 7 10.171 9.391 -14.092
39 H SER 8 H SER 8 8.317 8.057 -13.926
40 HA SER 8 HA SER 8 5.747 9.487 -13.956
41 HB2 SER 8 2HB SER 8 6.761 8.750 -16.271
42 HB3 SER 8 3HB SER 8 6.173 7.158 -15.792
43 HG SER 8 HG SER 8 4.728 8.727 -17.016
44 H THR 9 H THR 9 3.894 7.777 -13.937
45 HA THR 9 HA THR 9 4.247 6.238 -11.544
46 HB THR 9 HB THR 9 1.858 6.238 -13.395
47 HG1 THR 9 HG1 THR 9 1.522 8.198 -12.695
48 HG21 THR 9 1HG2 THR 9 1.798 4.423 -11.805
49 HG22 THR 9 2HG2 THR 9 0.641 5.657 -11.306
50 HG23 THR 9 3HG2 THR 9 2.194 5.519 -10.482
51 H ALA 10 H ALA 10 3.797 5.502 -14.974
52 HA ALA 10 HA ALA 10 3.442 2.768 -14.869
53 HB1 ALA 10 1HB ALA 10 4.911 4.434 -16.902
54 HB2 ALA 10 2HB ALA 10 4.523 2.728 -17.126
55 HB3 ALA 10 3HB ALA 10 3.227 3.911 -16.949
56 H VAL 11 H VAL 11 6.450 4.614 -14.698
57 HA VAL 11 HA VAL 11 8.093 2.244 -14.610
58 HB VAL 11 HB VAL 11 8.980 4.280 -15.621
59 HG11 VAL 11 1HG1 VAL 11 8.708 5.452 -12.856
60 HG12 VAL 11 2HG1 VAL 11 9.580 6.208 -14.191
61 HG13 VAL 11 3HG1 VAL 11 7.838 5.950 -14.307
62 HG21 VAL 11 1HG2 VAL 11 11.056 3.742 -14.993
63 HG22 VAL 11 2HG2 VAL 11 10.762 4.209 -13.318
64 HG23 VAL 11 3HG2 VAL 11 10.297 2.603 -13.880
65 H ALA 12 H ALS 12 6.625 4.440 -12.333
66 HB1 ALA 12 1HB ALS 12 6.314 4.752 -8.776
67 HB2 ALA 12 2HB ALS 12 6.517 5.720 -10.237
68 HB3 ALA 12 3HB ALS 12 5.215 4.534 -10.139
69 H ASN 13 H ASN 13 5.159 2.353 -11.229
70 HA ASN 13 HA ASN 13 5.189 0.375 -9.141
71 HB2 ASN 13 2HB ASN 13 3.163 -0.410 -10.046
72 HB3 ASN 13 3HB ASN 13 3.125 1.326 -10.342
73 HD21 ASN 13 1HD2 ASN 13 3.629 2.082 -12.467
74 HD22 ASN 13 2HD2 ASN 13 3.350 1.065 -13.836
75 H SER 14 H SER 14 6.376 0.642 -12.390
76 HA SER 14 HA SER 14 6.588 -1.998 -13.175
77 HB2 SER 14 2HB SER 14 7.162 -0.179 -14.677
78 HB3 SER 14 3HB SER 14 8.528 0.276 -13.658
79 HG SER 14 HG SER 14 9.062 -1.036 -15.528
80 H HIS 15 H HIS 15 8.538 -0.200 -10.887
81 HA HIS 15 HA HIS 15 10.383 -2.441 -10.569
82 HB2 HIS 15 2HB HIS 15 10.560 0.392 -10.210
83 HB3 HIS 15 3HB HIS 15 10.923 -0.394 -8.676
84 HD1 HIS 15 HD1 HIS 15 13.104 -1.716 -8.512
85 HD2 HIS 15 HD2 HIS 15 12.396 -0.144 -12.292
86 HE1 HIS 15 HE1 HIS 15 15.261 -2.000 -9.773
87 H ASN 16 H NSS 16 8.530 -0.341 -8.352
88 HB2 ASN 16 2HB NSS 16 6.376 -2.354 -8.079
89 HB3 ASN 16 3HB NSS 16 7.001 -3.566 -6.965
90 HD21 ASN 16 1HD2 NSS 16 5.086 -0.618 -7.156
91 HD22 ASN 16 2HD2 NSS 16 4.100 -0.954 -5.777
92 H ALA 17 H ALA 17 7.424 -2.901 -4.656
93 HA ALA 17 HA ALA 17 9.827 -4.395 -4.414
94 HB1 ALA 17 1HB ALA 17 9.853 -1.729 -3.331
95 HB2 ALA 17 2HB ALA 17 10.053 -2.925 -2.050
96 HB3 ALA 17 3HB ALA 17 11.155 -2.915 -3.426
97 H GLY 18 H GLY 18 7.339 -2.824 -2.390
98 HA2 GLY 18 2HA GLY 18 5.772 -4.954 -1.793
99 HA3 GLY 18 3HA GLY 18 7.126 -5.148 -0.690
100 HA PRO 19 HA PRO 19 3.818 -2.190 0.988
101 HB2 PRO 19 2HB PRO 19 2.846 -3.804 2.942
102 HB3 PRO 19 3HB PRO 19 2.176 -3.764 1.307
103 HG2 PRO 19 2HG PRO 19 4.097 -5.714 2.520
104 HG3 PRO 19 3HG PRO 19 2.696 -6.024 1.477
105 HD2 PRO 19 2HD PRO 19 5.237 -6.009 0.539
106 HD3 PRO 19 3HD PRO 19 3.852 -5.494 -0.446
107 H ALA 20 H ALA 20 6.135 -4.399 2.441
108 HA ALA 20 HA ALA 20 6.572 -2.477 4.628
109 HB1 ALA 20 1HB ALA 20 7.306 -5.398 4.478
110 HB2 ALA 20 2HB ALA 20 7.631 -4.326 5.841
111 HB3 ALA 20 3HB ALA 20 5.968 -4.704 5.393
112 H TYR 21 H TYR 21 7.634 -2.407 1.821
113 HA TYR 21 HA TYR 21 10.495 -2.325 2.518
114 HB2 TYR 21 2HB TYR 21 9.217 -3.162 -0.087
115 HB3 TYR 21 3HB TYR 21 10.931 -2.800 0.078
116 HD1 TYR 21 HD1 TYR 21 12.409 -4.499 0.649
117 HD2 TYR 21 HD2 TYR 21 8.271 -4.986 1.512
118 HE1 TYR 21 HE1 TYR 21 12.834 -6.817 1.356
119 HE2 TYR 21 HE2 TYR 21 8.685 -7.304 2.222
120 HH TYR 21 HH TYR 21 10.182 -8.952 2.344
121 H CYS 22 H CYS 22 11.590 -0.499 2.021
122 HA CYS 22 HA CYS 22 10.052 1.658 0.736
123 HB2 CYS 22 2HB CYS 22 12.209 1.726 2.844
124 HB3 CYS 22 3HB CYS 22 11.708 3.164 1.960
125 H VAL 23 H VAL 23 10.656 2.062 -1.278
126 HA VAL 23 HA VAL 23 13.522 1.916 -1.945
127 HB VAL 23 HB VAL 23 11.252 1.133 -3.778
128 HG11 VAL 23 1HG1 VAL 23 13.390 0.174 -5.005
129 HG12 VAL 23 2HG1 VAL 23 12.846 1.834 -5.254
130 HG13 VAL 23 3HG1 VAL 23 14.177 1.498 -4.147
131 HG21 VAL 23 1HG2 VAL 23 12.180 -1.149 -3.580
132 HG22 VAL 23 2HG2 VAL 23 13.281 -0.568 -2.331
133 HG23 VAL 23 3HG2 VAL 23 11.540 -0.537 -2.054
134 H GLY 24 H GLY 24 14.353 3.617 -3.034
135 HA2 GLY 24 2HA GLY 24 12.457 5.627 -4.072
136 HA3 GLY 24 3HA GLY 24 13.820 6.095 -3.068
137 H TYR 25 H TYR 25 12.767 5.960 -6.162
138 HA TYR 25 HA TYR 25 15.104 5.066 -7.524
139 HB2 TYR 25 2HB TYR 25 12.592 5.436 -8.335
140 HB3 TYR 25 3HB TYR 25 13.244 6.996 -8.825
141 HD1 TYR 25 HD1 TYR 25 13.127 3.442 -9.528
142 HD2 TYR 25 HD2 TYR 25 15.088 7.094 -10.488
143 HE1 TYR 25 HE1 TYR 25 14.021 2.416 -11.577
144 HE2 TYR 25 HE2 TYR 25 15.987 6.078 -12.539
145 HH TYR 25 HH TYR 25 14.933 3.730 -14.045
146 H CYS 26 H CYS 26 16.979 6.081 -7.686
147 HA CYS 26 HA CYS 26 17.046 8.986 -7.942
148 HB2 CYS 26 2HB CYS 26 18.466 7.439 -5.774
149 HB3 CYS 26 3HB CYS 26 18.953 9.058 -6.264
150 H GLY 27 H GLY 27 18.770 9.754 -9.122
151 HA2 GLY 27 2HA GLY 27 21.198 8.613 -9.645
152 HA3 GLY 27 3HA GLY 27 20.110 7.830 -10.781
153 H ASN 28 H ASN 28 22.380 9.969 -10.849
154 HA ASN 28 HA ASN 28 22.938 11.734 -12.170
155 HB2 ASN 28 2HB ASN 28 21.885 10.231 -13.900
156 HB3 ASN 28 3HB ASN 28 20.392 11.142 -13.687
157 HD21 ASN 28 1HD2 ASN 28 20.763 11.472 -16.027
158 HD22 ASN 28 2HD2 ASN 28 21.728 12.822 -16.507
159 H ASN 29 H ASN 29 21.157 12.085 -9.830
160 HA ASN 29 HA ASN 29 20.051 14.708 -10.580
161 HB2 ASN 29 2HB ASN 29 18.832 12.950 -8.454
162 HB3 ASN 29 3HB ASN 29 18.145 14.389 -9.202
163 HD21 ASN 29 1HD2 ASN 29 17.619 11.294 -9.009
164 HD22 ASN 29 2HD2 ASN 29 17.076 10.925 -10.607
165 H GLY 30 H GLY 30 20.950 12.729 -7.746
166 HA2 GLY 30 2HA GLY 30 23.014 14.036 -6.695
167 HA3 GLY 30 3HA GLY 30 21.708 15.142 -6.297
168 H VAL 31 H VAL 31 22.575 14.602 -4.090
169 HA VAL 31 HA VAL 31 21.857 11.999 -3.046
170 HB VAL 31 HB VAL 31 22.856 14.444 -1.577
171 HG11 VAL 31 1HG1 VAL 31 23.526 12.690 0.124
172 HG12 VAL 31 2HG1 VAL 31 21.799 13.031 -0.007
173 HG13 VAL 31 3HG1 VAL 31 22.472 11.578 -0.748
174 HG21 VAL 31 1HG2 VAL 31 24.198 12.554 -3.288
175 HG22 VAL 31 2HG2 VAL 31 24.826 14.011 -2.518
176 HG23 VAL 31 3HG2 VAL 31 24.838 12.477 -1.647
177 H VAL 32 H VAL 32 20.750 15.348 -2.712
178 HA VAL 32 HA VAL 32 18.838 15.045 -0.742
179 HB VAL 32 HB VAL 32 18.570 16.796 -3.189
180 HG11 VAL 32 1HG1 VAL 32 16.618 17.366 -2.288
181 HG12 VAL 32 2HG1 VAL 32 16.940 16.414 -0.838
182 HG13 VAL 32 3HG1 VAL 32 17.520 18.076 -0.950
183 HG21 VAL 32 1HG2 VAL 32 19.582 18.538 -1.681
184 HG22 VAL 32 2HG2 VAL 32 20.017 17.229 -0.583
185 HG23 VAL 32 3HG2 VAL 32 20.686 17.270 -2.214
186 H THR 33 H THR 33 18.278 14.857 -4.262
187 HA THR 33 HA THR 33 15.607 14.118 -4.189
188 HB THR 33 HB THR 33 17.199 12.798 -6.295
189 HG1 THR 33 HG1 THR 33 18.417 14.486 -6.647
190 HG21 THR 33 1HG2 THR 33 14.751 13.040 -6.393
191 HG22 THR 33 2HG2 THR 33 15.546 13.862 -7.736
192 HG23 THR 33 3HG2 THR 33 14.933 14.794 -6.370
193 H ARG 34 H RSS 34 18.482 12.026 -4.228
194 HB2 ARG 34 2HB RSS 34 19.638 9.698 -4.494
195 HB3 ARG 34 3HB RSS 34 19.762 10.429 -2.900
196 HG2 ARG 34 2HG RSS 34 18.473 7.805 -2.908
197 HG3 ARG 34 3HG RSS 34 20.151 7.795 -3.457
198 HD2 ARG 34 2HD RSS 34 20.734 9.096 -1.395
199 HD3 ARG 34 3HD RSS 34 19.082 8.835 -0.840
200 HE ARG 34 HE RSS 34 19.649 6.690 -0.286
201 HH11 ARG 34 1HH2 RSS 34 21.046 4.903 -0.048
202 HH12 ARG 34 2HH2 RSS 34 22.552 4.878 -0.902
203 HH21 ARG 34 1HH1 RSS 34 22.065 7.984 -2.434
204 HH22 ARG 34 2HH1 RSS 34 23.132 6.631 -2.259
205 H ASN 35 H ASN 35 17.503 11.777 -1.660
206 HA ASN 35 HA ASN 35 16.612 9.847 0.296
207 HB2 ASN 35 2HB ASN 35 17.071 12.831 0.433
208 HB3 ASN 35 3HB ASN 35 16.519 11.870 1.802
209 HD21 ASN 35 1HD2 ASN 35 19.139 13.259 0.525
210 HD22 ASN 35 2HD2 ASN 35 20.376 12.216 1.132
211 H ALA 36 H ALA 36 15.253 12.696 -1.328
212 HA ALA 36 HA ALA 36 12.781 12.810 -0.105
213 HB1 ALA 36 1HB ALA 36 13.878 14.300 -1.954
214 HB2 ALA 36 2HB ALA 36 12.955 13.266 -3.046
215 HB3 ALA 36 3HB ALA 36 12.123 14.205 -1.808
216 H ASN 37 H ASN 37 13.808 10.782 -2.819
217 HA ASN 37 HA ASN 37 11.291 9.676 -3.410
218 HB2 ASN 37 2HB ASN 37 14.102 8.672 -3.854
219 HB3 ASN 37 3HB ASN 37 12.685 7.788 -4.412
220 HD21 ASN 37 1HD2 ASN 37 11.905 8.267 -6.342
221 HD22 ASN 37 2HD2 ASN 37 12.300 9.671 -7.268
222 H ALA 38 H ALA 38 13.997 8.195 -1.612
223 HA ALA 38 HA ALA 38 12.624 5.949 -0.710
224 HB1 ALA 38 1HB ALA 38 14.961 5.921 -0.503
225 HB2 ALA 38 2HB ALA 38 14.985 7.435 0.401
226 HB3 ALA 38 3HB ALA 38 14.359 5.969 1.155
227 H ASN 39 H ASN 39 12.512 9.231 0.391
228 HA ASN 39 HA ASN 39 11.468 8.722 2.989
229 HB2 ASN 39 2HB ASN 39 12.477 10.844 2.649
230 HB3 ASN 39 3HB ASN 39 11.498 11.164 1.220
231 HD21 ASN 39 1HD2 ASN 39 10.198 12.790 1.649
232 HD22 ASN 39 2HD2 ASN 39 9.256 12.989 3.083
233 H VAL 40 H VAL 40 10.059 9.111 -0.189
234 HA VAL 40 HA VAL 40 7.358 9.351 0.761
235 HB VAL 40 HB VAL 40 8.359 8.696 -2.013
236 HG11 VAL 40 1HG1 VAL 40 5.657 9.657 -1.079
237 HG12 VAL 40 2HG1 VAL 40 6.145 9.410 -2.757
238 HG13 VAL 40 3HG1 VAL 40 6.034 8.035 -1.657
239 HG21 VAL 40 1HG2 VAL 40 8.892 10.838 -2.252
240 HG22 VAL 40 2HG2 VAL 40 7.281 11.331 -1.731
241 HG23 VAL 40 3HG2 VAL 40 8.557 11.087 -0.538
242 H ALA 41 H ALA 41 9.482 6.757 -0.195
243 HA ALA 41 HA ALA 41 7.347 4.805 -0.340
244 HB1 ALA 41 1HB ALA 41 10.164 3.915 -0.209
245 HB2 ALA 41 2HB ALA 41 8.859 3.405 -1.280
246 HB3 ALA 41 3HB ALA 41 9.709 4.919 -1.587
247 H LYS 42 H KSS 42 10.187 5.356 1.742
248 HB2 LYS 42 2HB KSS 42 11.209 4.512 5.051
249 HB3 LYS 42 3HB KSS 42 11.753 4.912 3.427
250 HG2 LYS 42 2HG KSS 42 10.495 7.027 3.557
251 HG3 LYS 42 3HG KSS 42 10.043 6.628 5.216
252 HD2 LYS 42 2HD KSS 42 12.681 6.333 5.438
253 HD3 LYS 42 3HD KSS 42 12.657 7.492 4.107
254 HE2 LYS 42 2HE KSS 42 11.770 9.160 5.395
255 HE3 LYS 42 3HE KSS 42 10.936 8.037 6.468
256 HZ1 LYS 42 1HZ KSS 42 12.847 9.222 7.492
257 HZ2 LYS 42 2HZ KSS 42 13.880 8.397 6.437
258 HZ3 LYS 42 3HZ KSS 42 12.964 7.536 7.569
259 H THR 43 H THR 43 8.146 6.390 3.285
260 HA THR 43 HA THR 43 6.791 6.089 5.830
261 HB THR 43 HB THR 43 6.362 8.140 3.648
262 HG1 THR 43 HG1 THR 43 8.075 9.054 4.468
263 HG21 THR 43 1HG2 THR 43 5.332 9.434 5.563
264 HG22 THR 43 2HG2 THR 43 5.330 7.922 6.471
265 HG23 THR 43 3HG2 THR 43 4.398 8.057 4.980
266 H ALA 44 H ALA 44 6.130 5.625 2.421
267 HA ALA 44 HA ALA 44 3.314 5.310 2.671
268 HB1 ALA 44 1HB ALA 44 3.548 4.207 0.401
269 HB2 ALA 44 2HB ALA 44 4.121 5.870 0.529
270 HB3 ALA 44 3HB ALA 44 5.276 4.537 0.529
Start of MODEL 8
1 H1 TRP 1 H TRP 1 2.091 -0.230 1.273
2 HA TRP 1 HA TRP 1 3.429 -1.252 -0.578
3 HB2 TRP 1 2HB TRP 1 2.586 -0.942 -2.845
4 HB3 TRP 1 3HB TRP 1 1.421 -1.848 -1.884
5 HD1 TRP 1 HD1 TRP 1 -0.561 -0.073 -0.727
6 HE1 TRP 1 HE1 TRP 1 -1.888 1.728 -2.000
7 HE3 TRP 1 HE3 TRP 1 2.546 0.539 -4.741
8 HZ2 TRP 1 HZ2 TRP 1 -1.649 3.212 -4.389
9 HZ3 TRP 1 HZ3 TRP 1 1.924 2.169 -6.476
10 HH2 TRP 1 HH2 TRP 1 -0.130 3.476 -6.302
11 H GLY 2 H GLY 2 5.123 0.019 -0.988
12 HA2 GLY 2 2HA GLY 2 4.642 2.899 -1.404
13 HA3 GLY 2 3HA GLY 2 5.838 2.356 -0.237
14 H CYS 3 H CYS 3 5.233 3.139 -3.482
15 HA CYS 3 HA CYS 3 8.011 2.543 -4.152
16 HB2 CYS 3 2HB CYS 3 5.933 0.908 -5.047
17 HB3 CYS 3 3HB CYS 3 6.285 1.960 -6.414
18 H VAL 4 H VAL 4 8.884 4.358 -4.873
19 HA VAL 4 HA VAL 4 7.200 6.214 -6.427
20 HB VAL 4 HB VAL 4 7.750 7.117 -4.194
21 HG11 VAL 4 1HG1 VAL 4 9.848 6.050 -3.754
22 HG12 VAL 4 2HG1 VAL 4 10.593 6.826 -5.153
23 HG13 VAL 4 3HG1 VAL 4 10.110 7.793 -3.759
24 HG21 VAL 4 1HG2 VAL 4 7.722 8.429 -6.515
25 HG22 VAL 4 2HG2 VAL 4 8.026 9.233 -4.976
26 HG23 VAL 4 3HG2 VAL 4 9.376 8.790 -6.020
27 H CYS 5 H CYS 5 8.161 7.298 -8.161
28 HA CYS 5 HA CYS 5 10.879 6.492 -8.904
29 HB2 CYS 5 2HB CYS 5 8.549 6.377 -10.827
30 HB3 CYS 5 3HB CYS 5 10.216 5.914 -11.155
31 H SER 6 H SER 6 12.029 8.012 -10.021
32 HA SER 6 HA SER 6 10.916 10.686 -10.043
33 HB2 SER 6 2HB SER 6 13.182 10.377 -9.195
34 HB3 SER 6 3HB SER 6 13.686 9.675 -10.732
35 HG SER 6 HG SER 6 13.515 12.269 -10.018
36 H GLY 7 H GLY 7 9.444 9.433 -11.815
37 HA2 GLY 7 2HA GLY 7 10.062 10.765 -14.276
38 HA3 GLY 7 3HA GLY 7 10.246 9.022 -14.404
39 H SER 8 H SER 8 8.493 7.824 -14.816
40 HA SER 8 HA SER 8 5.885 9.188 -14.742
41 HB2 SER 8 2HB SER 8 7.176 7.423 -16.702
42 HB3 SER 8 3HB SER 8 5.509 6.980 -16.336
43 HG SER 8 HG SER 8 4.883 8.634 -17.454
44 H THR 9 H THR 9 4.032 7.456 -14.666
45 HA THR 9 HA THR 9 4.315 6.121 -12.135
46 HB THR 9 HB THR 9 1.919 5.387 -12.614
47 HG1 THR 9 HG1 THR 9 1.396 5.650 -14.654
48 HG21 THR 9 1HG2 THR 9 1.069 7.391 -11.819
49 HG22 THR 9 2HG2 THR 9 2.163 8.364 -12.802
50 HG23 THR 9 3HG2 THR 9 2.772 7.518 -11.379
51 H ALA 10 H ALA 10 4.379 5.216 -15.488
52 HA ALA 10 HA ALA 10 3.841 2.455 -15.188
53 HB1 ALA 10 1HB ALA 10 5.363 3.937 -17.326
54 HB2 ALA 10 2HB ALA 10 4.894 2.240 -17.423
55 HB3 ALA 10 3HB ALA 10 3.656 3.494 -17.348
56 H VAL 11 H VAL 11 6.778 4.372 -14.962
57 HA VAL 11 HA VAL 11 8.488 2.050 -14.764
58 HB VAL 11 HB VAL 11 9.380 4.052 -15.808
59 HG11 VAL 11 1HG1 VAL 11 9.840 6.069 -14.428
60 HG12 VAL 11 2HG1 VAL 11 8.122 5.761 -14.685
61 HG13 VAL 11 3HG1 VAL 11 8.870 5.357 -13.139
62 HG21 VAL 11 1HG2 VAL 11 11.046 4.211 -13.444
63 HG22 VAL 11 2HG2 VAL 11 10.635 2.544 -13.848
64 HG23 VAL 11 3HG2 VAL 11 11.420 3.573 -15.046
65 H ALA 12 H ALS 12 6.852 4.249 -12.616
66 HB1 ALA 12 1HB ALS 12 6.706 5.618 -10.540
67 HB2 ALA 12 2HB ALS 12 5.392 4.441 -10.499
68 HB3 ALA 12 3HB ALS 12 6.415 4.671 -9.080
69 H ASN 13 H ASN 13 5.402 2.197 -11.527
70 HA ASN 13 HA ASN 13 5.329 0.296 -9.372
71 HB2 ASN 13 2HB ASN 13 3.364 -0.532 -10.351
72 HB3 ASN 13 3HB ASN 13 3.339 1.182 -10.755
73 HD21 ASN 13 1HD2 ASN 13 3.954 1.813 -12.886
74 HD22 ASN 13 2HD2 ASN 13 3.773 0.712 -14.205
75 H SER 14 H SER 14 6.736 0.465 -12.533
76 HA SER 14 HA SER 14 7.015 -2.196 -13.219
77 HB2 SER 14 2HB SER 14 7.700 -0.540 -14.792
78 HB3 SER 14 3HB SER 14 8.864 0.151 -13.662
79 HG SER 14 HG SER 14 9.396 -1.593 -15.471
80 H HIS 15 H HIS 15 8.999 -0.252 -11.033
81 HA HIS 15 HA HIS 15 10.699 -2.538 -10.431
82 HB2 HIS 15 2HB HIS 15 10.853 0.373 -10.060
83 HB3 HIS 15 3HB HIS 15 11.474 -0.558 -8.700
84 HD1 HIS 15 HD1 HIS 15 12.151 0.241 -12.285
85 HD2 HIS 15 HD2 HIS 15 13.828 -1.992 -9.209
86 HE1 HIS 15 HE1 HIS 15 14.449 -0.390 -13.088
87 H ASN 16 H NSS 16 8.850 -0.190 -8.476
88 HB2 ASN 16 2HB NSS 16 6.625 -2.107 -8.103
89 HB3 ASN 16 3HB NSS 16 7.171 -3.231 -6.863
90 HD21 ASN 16 1HD2 NSS 16 5.167 -0.467 -7.548
91 HD22 ASN 16 2HD2 NSS 16 4.198 -0.567 -6.121
92 H ALA 17 H ALA 17 7.536 -2.370 -4.608
93 HA ALA 17 HA ALA 17 9.988 -3.796 -4.154
94 HB1 ALA 17 1HB ALA 17 9.566 -2.021 -1.880
95 HB2 ALA 17 2HB ALA 17 11.056 -2.459 -2.718
96 HB3 ALA 17 3HB ALA 17 10.031 -1.172 -3.355
97 H GLY 18 H GLY 18 7.367 -2.347 -2.200
98 HA2 GLY 18 2HA GLY 18 5.632 -4.287 -1.776
99 HA3 GLY 18 3HA GLY 18 6.995 -4.923 -0.867
100 HA PRO 19 HA PRO 19 4.337 -1.900 1.660
101 HB2 PRO 19 2HB PRO 19 3.131 -3.718 3.276
102 HB3 PRO 19 3HB PRO 19 2.432 -3.181 1.744
103 HG2 PRO 19 2HG PRO 19 3.976 -5.672 2.352
104 HG3 PRO 19 3HG PRO 19 2.512 -5.475 1.371
105 HD2 PRO 19 2HD PRO 19 4.978 -5.704 0.277
106 HD3 PRO 19 3HD PRO 19 3.690 -4.734 -0.466
107 H ALA 20 H ALA 20 6.405 -4.626 2.279
108 HA ALA 20 HA ALA 20 7.080 -3.579 4.940
109 HB1 ALA 20 1HB ALA 20 7.970 -5.706 5.471
110 HB2 ALA 20 2HB ALA 20 6.435 -6.002 4.654
111 HB3 ALA 20 3HB ALA 20 7.954 -6.215 3.783
112 H TYR 21 H TYR 21 7.962 -2.498 2.281
113 HA TYR 21 HA TYR 21 10.784 -2.298 2.953
114 HB2 TYR 21 2HB TYR 21 9.902 -3.111 0.177
115 HB3 TYR 21 3HB TYR 21 11.556 -2.829 0.709
116 HD1 TYR 21 HD1 TYR 21 8.820 -5.194 0.560
117 HD2 TYR 21 HD2 TYR 21 12.616 -4.412 2.317
118 HE1 TYR 21 HE1 TYR 21 9.017 -7.567 1.177
119 HE2 TYR 21 HE2 TYR 21 12.824 -6.783 2.937
120 HH TYR 21 HH TYR 21 11.923 -8.962 2.213
121 H CYS 22 H CYS 22 11.872 -0.678 1.413
122 HA CYS 22 HA CYS 22 10.017 1.341 0.405
123 HB2 CYS 22 2HB CYS 22 12.086 1.821 2.550
124 HB3 CYS 22 3HB CYS 22 11.394 3.121 1.586
125 H VAL 23 H VAL 23 10.720 2.295 -1.412
126 HA VAL 23 HA VAL 23 13.576 2.157 -2.075
127 HB VAL 23 HB VAL 23 11.350 1.358 -3.956
128 HG11 VAL 23 1HG1 VAL 23 14.325 1.585 -4.386
129 HG12 VAL 23 2HG1 VAL 23 13.204 0.819 -5.513
130 HG13 VAL 23 3HG1 VAL 23 13.064 2.542 -5.162
131 HG21 VAL 23 1HG2 VAL 23 13.617 -0.343 -2.943
132 HG22 VAL 23 2HG2 VAL 23 12.030 -0.300 -2.174
133 HG23 VAL 23 3HG2 VAL 23 12.187 -0.855 -3.840
134 H GLY 24 H GLY 24 14.366 3.896 -3.175
135 HA2 GLY 24 2HA GLY 24 12.415 5.930 -4.052
136 HA3 GLY 24 3HA GLY 24 13.792 6.371 -3.054
137 H TYR 25 H TYR 25 12.667 5.742 -6.224
138 HA TYR 25 HA TYR 25 15.218 5.389 -7.464
139 HB2 TYR 25 2HB TYR 25 12.767 4.819 -8.302
140 HB3 TYR 25 3HB TYR 25 12.879 6.432 -8.998
141 HD1 TYR 25 HD1 TYR 25 14.495 3.095 -8.945
142 HD2 TYR 25 HD2 TYR 25 14.109 6.815 -10.974
143 HE1 TYR 25 HE1 TYR 25 15.742 2.176 -10.855
144 HE2 TYR 25 HE2 TYR 25 15.353 5.905 -12.891
145 HH TYR 25 HH TYR 25 15.888 2.675 -13.370
146 H CYS 26 H CYS 26 16.704 6.920 -7.623
147 HA CYS 26 HA CYS 26 16.215 9.431 -8.810
148 HB2 CYS 26 2HB CYS 26 16.862 10.822 -6.781
149 HB3 CYS 26 3HB CYS 26 15.232 10.156 -6.778
150 H GLY 27 H GLY 27 17.983 7.667 -9.593
151 HA2 GLY 27 2HA GLY 27 20.580 8.432 -8.431
152 HA3 GLY 27 3HA GLY 27 20.286 6.992 -9.394
153 H ASN 28 H ASN 28 19.518 10.426 -9.941
154 HA ASN 28 HA ASN 28 21.499 10.748 -11.962
155 HB2 ASN 28 2HB ASN 28 19.744 9.296 -13.094
156 HB3 ASN 28 3HB ASN 28 18.656 10.675 -12.976
157 HD21 ASN 28 1HD2 ASN 28 18.543 10.666 -15.264
158 HD22 ASN 28 2HD2 ASN 28 19.812 11.355 -16.212
159 H ASN 29 H ASN 29 20.505 12.097 -9.592
160 HA ASN 29 HA ASN 29 20.150 14.742 -10.766
161 HB2 ASN 29 2HB ASN 29 18.269 13.535 -8.732
162 HB3 ASN 29 3HB ASN 29 18.359 15.263 -9.063
163 HD21 ASN 29 1HD2 ASN 29 17.139 12.245 -10.062
164 HD22 ASN 29 2HD2 ASN 29 16.312 12.786 -11.479
165 H GLY 30 H GLY 30 20.374 12.959 -7.685
166 HA2 GLY 30 2HA GLY 30 22.799 13.995 -6.856
167 HA3 GLY 30 3HA GLY 30 21.582 15.125 -6.281
168 H VAL 31 H VAL 31 22.600 14.389 -4.195
169 HA VAL 31 HA VAL 31 21.847 11.753 -3.270
170 HB VAL 31 HB VAL 31 23.068 14.061 -1.748
171 HG11 VAL 31 1HG1 VAL 31 21.977 11.556 -0.877
172 HG12 VAL 31 2HG1 VAL 31 23.712 11.602 -0.562
173 HG13 VAL 31 3HG1 VAL 31 22.664 12.867 0.080
174 HG21 VAL 31 1HG2 VAL 31 24.822 13.557 -3.074
175 HG22 VAL 31 2HG2 VAL 31 25.024 12.212 -1.952
176 HG23 VAL 31 3HG2 VAL 31 24.190 11.963 -3.486
177 H VAL 32 H VAL 32 20.893 15.107 -2.650
178 HA VAL 32 HA VAL 32 19.114 14.716 -0.562
179 HB VAL 32 HB VAL 32 18.802 16.689 -2.829
180 HG11 VAL 32 1HG1 VAL 32 17.616 18.035 -1.097
181 HG12 VAL 32 2HG1 VAL 32 16.774 16.555 -1.562
182 HG13 VAL 32 3HG1 VAL 32 17.663 16.624 -0.040
183 HG21 VAL 32 1HG2 VAL 32 20.911 17.161 -2.002
184 HG22 VAL 32 2HG2 VAL 32 19.886 18.209 -1.021
185 HG23 VAL 32 3HG2 VAL 32 20.485 16.689 -0.357
186 H THR 33 H THR 33 18.378 14.766 -4.050
187 HA THR 33 HA THR 33 15.665 14.191 -3.880
188 HB THR 33 HB THR 33 17.064 12.911 -6.140
189 HG1 THR 33 HG1 THR 33 18.187 14.608 -6.742
190 HG21 THR 33 1HG2 THR 33 15.453 14.497 -7.354
191 HG22 THR 33 2HG2 THR 33 14.793 14.842 -5.755
192 HG23 THR 33 3HG2 THR 33 14.749 13.198 -6.392
193 H ARG 34 H RSS 34 18.402 11.944 -4.212
194 HB2 ARG 34 2HB RSS 34 19.393 9.573 -4.685
195 HB3 ARG 34 3HB RSS 34 19.658 10.196 -3.062
196 HG2 ARG 34 2HG RSS 34 18.200 7.686 -3.060
197 HG3 ARG 34 3HG RSS 34 19.778 7.559 -3.840
198 HD2 ARG 34 2HD RSS 34 20.779 8.652 -1.837
199 HD3 ARG 34 3HD RSS 34 19.197 8.574 -1.062
200 HE ARG 34 HE RSS 34 20.026 6.018 -1.989
201 HH11 ARG 34 1HH2 RSS 34 20.654 4.448 -0.458
202 HH12 ARG 34 2HH2 RSS 34 21.071 4.942 1.147
203 HH21 ARG 34 1HH1 RSS 34 20.511 8.343 0.556
204 HH22 ARG 34 2HH1 RSS 34 20.989 7.158 1.726
205 H ASN 35 H ASN 35 17.564 11.594 -1.605
206 HA ASN 35 HA ASN 35 16.672 9.601 0.287
207 HB2 ASN 35 2HB ASN 35 17.284 12.548 0.595
208 HB3 ASN 35 3HB ASN 35 16.829 11.488 1.926
209 HD21 ASN 35 1HD2 ASN 35 19.360 12.960 0.682
210 HD22 ASN 35 2HD2 ASN 35 20.614 11.820 1.019
211 H ALA 36 H ALA 36 15.386 12.557 -1.178
212 HA ALA 36 HA ALA 36 12.999 12.746 0.240
213 HB1 ALA 36 1HB ALA 36 12.649 14.489 -1.096
214 HB2 ALA 36 2HB ALA 36 14.175 14.087 -1.884
215 HB3 ALA 36 3HB ALA 36 12.656 13.474 -2.538
216 H ASN 37 H ASN 37 13.821 10.804 -2.587
217 HA ASN 37 HA ASN 37 11.203 9.916 -3.167
218 HB2 ASN 37 2HB ASN 37 13.924 8.769 -3.796
219 HB3 ASN 37 3HB ASN 37 12.428 8.033 -4.363
220 HD21 ASN 37 1HD2 ASN 37 11.435 8.848 -6.110
221 HD22 ASN 37 2HD2 ASN 37 11.975 10.236 -6.986
222 H ALA 38 H ALA 38 13.880 8.251 -1.497
223 HA ALA 38 HA ALA 38 12.489 5.971 -0.735
224 HB1 ALA 38 1HB ALA 38 14.805 7.383 0.566
225 HB2 ALA 38 2HB ALA 38 14.195 5.820 1.111
226 HB3 ALA 38 3HB ALA 38 14.849 5.993 -0.518
227 H ASN 39 H ASN 39 12.363 9.186 0.547
228 HA ASN 39 HA ASN 39 11.273 8.529 3.093
229 HB2 ASN 39 2HB ASN 39 11.578 11.025 1.481
230 HB3 ASN 39 3HB ASN 39 10.453 11.037 2.836
231 HD21 ASN 39 1HD2 ASN 39 13.384 11.971 2.064
232 HD22 ASN 39 2HD2 ASN 39 14.224 11.733 3.555
233 H VAL 40 H VAL 40 9.918 9.149 -0.077
234 HA VAL 40 HA VAL 40 7.204 9.327 0.844
235 HB VAL 40 HB VAL 40 8.222 8.844 -1.959
236 HG11 VAL 40 1HG1 VAL 40 6.057 8.477 -2.376
237 HG12 VAL 40 2HG1 VAL 40 5.561 9.082 -0.794
238 HG13 VAL 40 3HG1 VAL 40 5.843 10.209 -2.121
239 HG21 VAL 40 1HG2 VAL 40 9.088 10.906 -1.674
240 HG22 VAL 40 2HG2 VAL 40 7.421 11.424 -1.928
241 HG23 VAL 40 3HG2 VAL 40 8.054 11.264 -0.290
242 H ALA 41 H ALA 41 9.334 6.800 -0.265
243 HA ALA 41 HA ALA 41 7.199 4.871 -0.586
244 HB1 ALA 41 1HB ALA 41 8.728 3.527 -1.583
245 HB2 ALA 41 2HB ALA 41 9.579 5.060 -1.779
246 HB3 ALA 41 3HB ALA 41 10.015 3.972 -0.462
247 H LYS 42 H KSS 42 9.994 5.265 1.590
248 HB2 LYS 42 2HB KSS 42 10.945 4.182 4.850
249 HB3 LYS 42 3HB KSS 42 11.523 4.693 3.270
250 HG2 LYS 42 2HG KSS 42 10.262 6.799 3.526
251 HG3 LYS 42 3HG KSS 42 9.792 6.287 5.149
252 HD2 LYS 42 2HD KSS 42 12.428 5.970 5.374
253 HD3 LYS 42 3HD KSS 42 12.418 7.221 4.129
254 HE2 LYS 42 2HE KSS 42 11.085 8.663 5.552
255 HE3 LYS 42 3HE KSS 42 10.983 7.400 6.778
256 HZ1 LYS 42 1HZ KSS 42 12.764 9.312 6.907
257 HZ2 LYS 42 2HZ KSS 42 13.645 8.255 5.924
258 HZ3 LYS 42 3HZ KSS 42 13.111 7.746 7.446
259 H THR 43 H THR 43 7.934 6.203 3.166
260 HA THR 43 HA THR 43 6.514 5.714 5.649
261 HB THR 43 HB THR 43 6.164 7.950 3.642
262 HG1 THR 43 HG1 THR 43 7.915 8.704 4.542
263 HG21 THR 43 1HG2 THR 43 5.150 9.081 5.696
264 HG22 THR 43 2HG2 THR 43 5.041 7.463 6.390
265 HG23 THR 43 3HG2 THR 43 4.177 7.844 4.901
266 H ALA 44 H ALA 44 5.945 5.538 2.198
267 HA ALA 44 HA ALA 44 3.106 5.174 2.428
268 HB1 ALA 44 1HB ALA 44 3.273 4.548 0.010
269 HB2 ALA 44 2HB ALA 44 3.927 6.138 0.408
270 HB3 ALA 44 3HB ALA 44 5.017 4.779 0.134
Start of MODEL 9
1 H1 TRP 1 H TRP 1 1.195 -1.372 -0.420
2 HA TRP 1 HA TRP 1 2.197 -0.612 -2.404
3 HB2 TRP 1 2HB TRP 1 -0.210 -0.013 -2.357
4 HB3 TRP 1 3HB TRP 1 0.216 1.559 -1.685
5 HD1 TRP 1 HD1 TRP 1 0.591 3.435 -3.393
6 HE1 TRP 1 HE1 TRP 1 0.946 3.557 -5.939
7 HE3 TRP 1 HE3 TRP 1 0.939 -1.564 -4.404
8 HZ2 TRP 1 HZ2 TRP 1 1.323 1.770 -8.092
9 HZ3 TRP 1 HZ3 TRP 1 1.296 -2.275 -6.732
10 HH2 TRP 1 HH2 TRP 1 1.483 -0.641 -8.537
11 H GLY 2 H GLY 2 4.302 -0.137 -1.230
12 HA2 GLY 2 2HA GLY 2 4.814 2.771 -1.190
13 HA3 GLY 2 3HA GLY 2 5.715 1.592 -0.248
14 H CYS 3 H CYS 3 5.287 3.060 -3.368
15 HA CYS 3 HA CYS 3 7.958 2.239 -4.127
16 HB2 CYS 3 2HB CYS 3 5.755 0.754 -5.052
17 HB3 CYS 3 3HB CYS 3 6.251 1.767 -6.404
18 H VAL 4 H VAL 4 8.873 4.084 -4.715
19 HA VAL 4 HA VAL 4 7.281 6.006 -6.287
20 HB VAL 4 HB VAL 4 7.850 6.827 -4.013
21 HG11 VAL 4 1HG1 VAL 4 10.594 7.469 -4.449
22 HG12 VAL 4 2HG1 VAL 4 9.871 6.526 -3.145
23 HG13 VAL 4 3HG1 VAL 4 10.378 5.729 -4.636
24 HG21 VAL 4 1HG2 VAL 4 9.480 8.545 -5.779
25 HG22 VAL 4 2HG2 VAL 4 7.842 8.189 -6.327
26 HG23 VAL 4 3HG2 VAL 4 8.101 8.951 -4.758
27 H CYS 5 H CYS 5 8.323 7.120 -7.968
28 HA CYS 5 HA CYS 5 11.016 6.230 -8.695
29 HB2 CYS 5 2HB CYS 5 8.713 6.217 -10.653
30 HB3 CYS 5 3HB CYS 5 10.370 5.711 -10.965
31 H SER 6 H SER 6 12.193 7.691 -9.920
32 HA SER 6 HA SER 6 11.190 10.417 -9.845
33 HB2 SER 6 2HB SER 6 13.440 10.065 -9.026
34 HB3 SER 6 3HB SER 6 13.910 9.283 -10.535
35 HG SER 6 HG SER 6 12.939 11.935 -10.476
36 H GLY 7 H GLY 7 9.565 9.874 -11.541
37 HA2 GLY 7 2HA GLY 7 10.225 11.018 -13.989
38 HA3 GLY 7 3HA GLY 7 10.357 9.278 -14.196
39 H SER 8 H SER 8 8.490 7.982 -14.008
40 HA SER 8 HA SER 8 5.942 9.453 -13.999
41 HB2 SER 8 2HB SER 8 6.623 7.197 -15.899
42 HB3 SER 8 3HB SER 8 5.123 8.124 -15.858
43 HG SER 8 HG SER 8 7.685 9.241 -16.354
44 H THR 9 H THR 9 4.055 7.813 -13.882
45 HA THR 9 HA THR 9 4.462 6.255 -11.506
46 HB THR 9 HB THR 9 1.958 6.196 -13.173
47 HG1 THR 9 HG1 THR 9 1.450 8.050 -11.608
48 HG21 THR 9 1HG2 THR 9 2.739 5.528 -10.403
49 HG22 THR 9 2HG2 THR 9 1.499 4.816 -11.435
50 HG23 THR 9 3HG2 THR 9 1.184 6.335 -10.596
51 H ALA 10 H ALA 10 4.067 5.601 -14.927
52 HA ALA 10 HA ALA 10 3.511 2.864 -14.821
53 HB1 ALA 10 1HB ALA 10 4.962 4.495 -16.896
54 HB2 ALA 10 2HB ALA 10 4.510 2.804 -17.118
55 HB3 ALA 10 3HB ALA 10 3.261 4.026 -16.885
56 H VAL 11 H VAL 11 6.569 4.606 -14.658
57 HA VAL 11 HA VAL 11 8.141 2.181 -14.690
58 HB VAL 11 HB VAL 11 9.097 4.172 -15.687
59 HG11 VAL 11 1HG1 VAL 11 9.759 6.087 -14.227
60 HG12 VAL 11 2HG1 VAL 11 8.017 5.906 -14.442
61 HG13 VAL 11 3HG1 VAL 11 8.782 5.377 -12.943
62 HG21 VAL 11 1HG2 VAL 11 10.367 2.507 -13.873
63 HG22 VAL 11 2HG2 VAL 11 11.146 3.553 -15.061
64 HG23 VAL 11 3HG2 VAL 11 10.894 4.126 -13.412
65 H ALA 12 H ALS 12 6.779 4.349 -12.330
66 HB1 ALA 12 1HB ALS 12 5.476 4.523 -10.115
67 HB2 ALA 12 2HB ALS 12 6.597 4.605 -8.756
68 HB3 ALA 12 3HB ALS 12 6.863 5.611 -10.180
69 H ASN 13 H ASN 13 5.262 2.348 -11.251
70 HA ASN 13 HA ASN 13 5.192 0.338 -9.198
71 HB2 ASN 13 2HB ASN 13 3.114 -0.297 -10.081
72 HB3 ASN 13 3HB ASN 13 3.187 1.433 -10.402
73 HD21 ASN 13 1HD2 ASN 13 3.738 2.123 -12.540
74 HD22 ASN 13 2HD2 ASN 13 3.385 1.108 -13.894
75 H SER 14 H SER 14 6.382 0.583 -12.446
76 HA SER 14 HA SER 14 6.436 -2.047 -13.280
77 HB2 SER 14 2HB SER 14 8.077 0.360 -13.837
78 HB3 SER 14 3HB SER 14 8.788 -1.191 -14.284
79 HG SER 14 HG SER 14 7.584 -0.998 -15.993
80 H HIS 15 H HIS 15 8.413 -0.451 -10.891
81 HA HIS 15 HA HIS 15 10.073 -2.852 -10.597
82 HB2 HIS 15 2HB HIS 15 10.557 -0.024 -10.286
83 HB3 HIS 15 3HB HIS 15 10.958 -0.879 -8.799
84 HD1 HIS 15 HD1 HIS 15 11.810 -0.919 -12.489
85 HD2 HIS 15 HD2 HIS 15 13.347 -2.201 -8.848
86 HE1 HIS 15 HE1 HIS 15 14.120 -1.772 -12.997
87 H ASN 16 H NSS 16 8.493 -0.473 -8.453
88 HB2 ASN 16 2HB NSS 16 6.166 -2.257 -8.046
89 HB3 ASN 16 3HB NSS 16 6.695 -3.465 -6.879
90 HD21 ASN 16 1HD2 NSS 16 4.805 -0.597 -7.383
91 HD22 ASN 16 2HD2 NSS 16 3.917 -0.678 -5.903
92 H ALA 17 H ALA 17 7.222 -2.726 -4.613
93 HA ALA 17 HA ALA 17 9.510 -4.400 -4.332
94 HB1 ALA 17 1HB ALA 17 9.614 -1.712 -3.193
95 HB2 ALA 17 2HB ALA 17 9.944 -2.994 -2.027
96 HB3 ALA 17 3HB ALA 17 10.911 -2.869 -3.496
97 H GLY 18 H GLY 18 7.145 -2.603 -2.347
98 HA2 GLY 18 2HA GLY 18 5.364 -4.486 -1.697
99 HA3 GLY 18 3HA GLY 18 6.722 -4.950 -0.683
100 HA PRO 19 HA PRO 19 4.005 -1.603 1.307
101 HB2 PRO 19 2HB PRO 19 2.841 -3.152 3.208
102 HB3 PRO 19 3HB PRO 19 2.131 -2.898 1.610
103 HG2 PRO 19 2HG PRO 19 3.735 -5.213 2.623
104 HG3 PRO 19 3HG PRO 19 2.268 -5.219 1.628
105 HD2 PRO 19 2HD PRO 19 4.740 -5.569 0.580
106 HD3 PRO 19 3HD PRO 19 3.430 -4.768 -0.311
107 H ALA 20 H ALA 20 5.971 -4.250 2.522
108 HA ALA 20 HA ALA 20 6.721 -2.650 4.866
109 HB1 ALA 20 1HB ALA 20 6.725 -5.556 4.258
110 HB2 ALA 20 2HB ALA 20 7.946 -4.942 5.373
111 HB3 ALA 20 3HB ALA 20 6.234 -4.705 5.723
112 H TYR 21 H TYR 21 7.653 -2.249 2.041
113 HA TYR 21 HA TYR 21 10.524 -2.265 2.647
114 HB2 TYR 21 2HB TYR 21 9.254 -3.194 0.067
115 HB3 TYR 21 3HB TYR 21 10.969 -2.839 0.241
116 HD1 TYR 21 HD1 TYR 21 12.422 -4.314 1.521
117 HD2 TYR 21 HD2 TYR 21 8.280 -5.176 1.073
118 HE1 TYR 21 HE1 TYR 21 12.822 -6.610 2.306
119 HE2 TYR 21 HE2 TYR 21 8.668 -7.474 1.859
120 HH TYR 21 HH TYR 21 11.905 -8.705 2.412
121 H CYS 22 H CYS 22 11.660 -0.507 1.915
122 HA CYS 22 HA CYS 22 10.070 1.598 0.600
123 HB2 CYS 22 2HB CYS 22 12.302 1.873 2.623
124 HB3 CYS 22 3HB CYS 22 11.550 3.222 1.777
125 H VAL 23 H VAL 23 10.707 2.047 -1.393
126 HA VAL 23 HA VAL 23 13.570 1.835 -2.047
127 HB VAL 23 HB VAL 23 11.296 1.014 -3.860
128 HG11 VAL 23 1HG1 VAL 23 12.966 1.838 -5.266
129 HG12 VAL 23 2HG1 VAL 23 14.264 1.210 -4.248
130 HG13 VAL 23 3HG1 VAL 23 13.283 0.104 -5.210
131 HG21 VAL 23 1HG2 VAL 23 13.223 -0.551 -2.181
132 HG22 VAL 23 2HG2 VAL 23 11.473 -0.724 -2.320
133 HG23 VAL 23 3HG2 VAL 23 12.518 -1.245 -3.641
134 H GLY 24 H GLY 24 14.337 3.756 -2.614
135 HA2 GLY 24 2HA GLY 24 12.487 5.687 -3.864
136 HA3 GLY 24 3HA GLY 24 13.881 6.129 -2.890
137 H TYR 25 H TYR 25 12.718 5.527 -6.020
138 HA TYR 25 HA TYR 25 15.191 4.902 -7.291
139 HB2 TYR 25 2HB TYR 25 12.592 4.786 -8.070
140 HB3 TYR 25 3HB TYR 25 13.109 6.253 -8.894
141 HD1 TYR 25 HD1 TYR 25 13.989 2.666 -8.439
142 HD2 TYR 25 HD2 TYR 25 14.295 6.120 -10.905
143 HE1 TYR 25 HE1 TYR 25 15.005 1.301 -10.215
144 HE2 TYR 25 HE2 TYR 25 15.310 4.765 -12.688
145 HH TYR 25 HH TYR 25 15.143 1.560 -12.884
146 H CYS 26 H CYS 26 16.854 6.236 -7.457
147 HA CYS 26 HA CYS 26 16.327 9.094 -7.938
148 HB2 CYS 26 2HB CYS 26 18.516 7.909 -6.218
149 HB3 CYS 26 3HB CYS 26 18.355 9.616 -6.616
150 H GLY 27 H GLY 27 17.028 9.667 -9.880
151 HA2 GLY 27 2HA GLY 27 18.937 8.034 -11.311
152 HA3 GLY 27 3HA GLY 27 18.105 9.454 -11.928
153 H ASN 28 H ASN 28 19.688 10.724 -12.683
154 HA ASN 28 HA ASN 28 22.073 11.143 -11.028
155 HB2 ASN 28 2HB ASN 28 22.231 10.485 -13.496
156 HB3 ASN 28 3HB ASN 28 21.674 12.116 -13.854
157 HD21 ASN 28 1HD2 ASN 28 23.514 12.832 -14.813
158 HD22 ASN 28 2HD2 ASN 28 25.011 13.042 -13.976
159 H ASN 29 H ASN 29 19.606 12.329 -10.244
160 HA ASN 29 HA ASN 29 19.725 15.118 -11.022
161 HB2 ASN 29 2HB ASN 29 17.966 13.645 -9.051
162 HB3 ASN 29 3HB ASN 29 17.819 15.361 -9.418
163 HD21 ASN 29 1HD2 ASN 29 16.715 12.338 -10.157
164 HD22 ASN 29 2HD2 ASN 29 16.001 12.669 -11.695
165 H GLY 30 H GLY 30 20.688 13.091 -8.341
166 HA2 GLY 30 2HA GLY 30 22.721 14.419 -7.298
167 HA3 GLY 30 3HA GLY 30 21.395 15.412 -6.713
168 H VAL 31 H VAL 31 22.283 14.810 -4.593
169 HA VAL 31 HA VAL 31 21.746 12.063 -3.757
170 HB VAL 31 HB VAL 31 22.913 14.326 -2.132
171 HG11 VAL 31 1HG1 VAL 31 23.709 11.689 -1.339
172 HG12 VAL 31 2HG1 VAL 31 22.877 12.932 -0.403
173 HG13 VAL 31 3HG1 VAL 31 21.950 11.795 -1.382
174 HG21 VAL 31 1HG2 VAL 31 25.035 12.830 -2.554
175 HG22 VAL 31 2HG2 VAL 31 24.150 12.372 -4.009
176 HG23 VAL 31 3HG2 VAL 31 24.549 14.064 -3.717
177 H VAL 32 H VAL 32 20.618 15.348 -3.223
178 HA VAL 32 HA VAL 32 18.985 14.973 -1.010
179 HB VAL 32 HB VAL 32 18.473 16.780 -3.378
180 HG11 VAL 32 1HG1 VAL 32 17.415 18.055 -1.242
181 HG12 VAL 32 2HG1 VAL 32 16.488 17.033 -2.342
182 HG13 VAL 32 3HG1 VAL 32 17.081 16.376 -0.817
183 HG21 VAL 32 1HG2 VAL 32 20.014 17.177 -0.822
184 HG22 VAL 32 2HG2 VAL 32 20.614 17.292 -2.476
185 HG23 VAL 32 3HG2 VAL 32 19.494 18.506 -1.858
186 H THR 33 H THR 33 18.115 14.694 -4.453
187 HA THR 33 HA THR 33 15.447 13.973 -4.116
188 HB THR 33 HB THR 33 16.794 12.601 -6.340
189 HG1 THR 33 HG1 THR 33 18.038 14.224 -6.857
190 HG21 THR 33 1HG2 THR 33 14.381 12.921 -6.271
191 HG22 THR 33 2HG2 THR 33 15.073 13.802 -7.633
192 HG23 THR 33 3HG2 THR 33 14.598 14.668 -6.173
193 H ARG 34 H RSS 34 18.332 11.913 -4.334
194 HB2 ARG 34 2HB RSS 34 19.503 9.597 -4.634
195 HB3 ARG 34 3HB RSS 34 19.722 10.359 -3.065
196 HG2 ARG 34 2HG RSS 34 18.475 7.717 -2.943
197 HG3 ARG 34 3HG RSS 34 20.114 7.722 -3.599
198 HD2 ARG 34 2HD RSS 34 19.825 9.408 -1.242
199 HD3 ARG 34 3HD RSS 34 19.430 7.718 -0.929
200 HE ARG 34 HE RSS 34 21.829 7.808 -2.361
201 HH11 ARG 34 1HH2 RSS 34 23.833 7.541 -1.304
202 HH12 ARG 34 2HH2 RSS 34 23.944 7.838 0.397
203 HH21 ARG 34 1HH1 RSS 34 20.574 8.694 0.763
204 HH22 ARG 34 2HH1 RSS 34 22.091 8.493 1.574
205 H ASN 35 H ASN 35 17.529 11.698 -1.702
206 HA ASN 35 HA ASN 35 16.807 9.795 0.346
207 HB2 ASN 35 2HB ASN 35 17.209 12.790 0.386
208 HB3 ASN 35 3HB ASN 35 16.761 11.855 1.809
209 HD21 ASN 35 1HD2 ASN 35 19.280 13.171 0.172
210 HD22 ASN 35 2HD2 ASN 35 20.568 12.200 0.792
211 H ALA 36 H ALA 36 15.283 12.614 -1.194
212 HA ALA 36 HA ALA 36 12.883 12.635 0.184
213 HB1 ALA 36 1HB ALA 36 13.899 14.124 -1.800
214 HB2 ALA 36 2HB ALA 36 12.720 13.183 -2.714
215 HB3 ALA 36 3HB ALA 36 12.196 14.157 -1.340
216 H ASN 37 H ASN 37 13.695 10.848 -2.784
217 HA ASN 37 HA ASN 37 11.238 9.673 -3.275
218 HB2 ASN 37 2HB ASN 37 14.048 8.699 -3.773
219 HB3 ASN 37 3HB ASN 37 12.637 7.785 -4.298
220 HD21 ASN 37 1HD2 ASN 37 11.626 8.353 -6.125
221 HD22 ASN 37 2HD2 ASN 37 12.042 9.720 -7.096
222 H ALA 38 H ALA 38 13.955 8.205 -1.485
223 HA ALA 38 HA ALA 38 12.618 5.923 -0.620
224 HB1 ALA 38 1HB ALA 38 14.932 5.893 -0.361
225 HB2 ALA 38 2HB ALA 38 14.955 7.444 0.478
226 HB3 ALA 38 3HB ALA 38 14.332 6.010 1.293
227 H ASN 39 H ASN 39 12.430 9.192 0.514
228 HA ASN 39 HA ASN 39 11.364 8.633 3.093
229 HB2 ASN 39 2HB ASN 39 12.199 10.916 1.694
230 HB3 ASN 39 3HB ASN 39 10.490 11.177 2.027
231 HD21 ASN 39 1HD2 ASN 39 12.873 12.491 3.111
232 HD22 ASN 39 2HD2 ASN 39 12.769 12.309 4.827
233 H VAL 40 H VAL 40 9.985 9.043 -0.097
234 HA VAL 40 HA VAL 40 7.269 9.215 0.826
235 HB VAL 40 HB VAL 40 8.322 8.633 -1.946
236 HG11 VAL 40 1HG1 VAL 40 5.601 8.975 -0.823
237 HG12 VAL 40 2HG1 VAL 40 5.934 9.727 -2.384
238 HG13 VAL 40 3HG1 VAL 40 6.154 7.989 -2.176
239 HG21 VAL 40 1HG2 VAL 40 7.554 11.204 -0.580
240 HG22 VAL 40 2HG2 VAL 40 9.113 10.775 -1.284
241 HG23 VAL 40 3HG2 VAL 40 7.719 11.046 -2.329
242 H ALA 41 H ALA 41 9.452 6.679 -0.157
243 HA ALA 41 HA ALA 41 7.359 4.688 -0.356
244 HB1 ALA 41 1HB ALA 41 10.015 4.920 -1.280
245 HB2 ALA 41 2HB ALA 41 9.957 3.515 -0.214
246 HB3 ALA 41 3HB ALA 41 8.861 3.622 -1.591
247 H LYS 42 H KSS 42 10.156 5.273 1.773
248 HB2 LYS 42 2HB KSS 42 11.155 4.397 5.081
249 HB3 LYS 42 3HB KSS 42 11.711 4.837 3.472
250 HG2 LYS 42 2HG KSS 42 10.401 6.918 3.617
251 HG3 LYS 42 3HG KSS 42 9.933 6.481 5.262
252 HD2 LYS 42 2HD KSS 42 12.815 6.673 4.435
253 HD3 LYS 42 3HD KSS 42 11.906 8.088 4.971
254 HE2 LYS 42 2HE KSS 42 11.494 5.902 6.786
255 HE3 LYS 42 3HE KSS 42 13.220 6.179 6.559
256 HZ1 LYS 42 1HZ KSS 42 13.087 8.287 7.420
257 HZ2 LYS 42 2HZ KSS 42 11.928 7.491 8.360
258 HZ3 LYS 42 3HZ KSS 42 11.442 8.466 7.065
259 H THR 43 H THR 43 8.080 6.235 3.315
260 HA THR 43 HA THR 43 6.673 5.808 5.822
261 HB THR 43 HB THR 43 6.105 7.962 3.787
262 HG1 THR 43 HG1 THR 43 8.101 7.809 5.797
263 HG21 THR 43 1HG2 THR 43 5.464 7.527 6.684
264 HG22 THR 43 2HG2 THR 43 4.389 7.981 5.361
265 HG23 THR 43 3HG2 THR 43 5.530 9.157 6.014
266 H ALA 44 H ALA 44 6.146 5.455 2.390
267 HA ALA 44 HA ALA 44 3.318 5.194 2.486
268 HB1 ALA 44 1HB ALA 44 3.596 4.171 0.222
269 HB2 ALA 44 2HB ALA 44 4.342 5.759 0.407
270 HB3 ALA 44 3HB ALA 44 5.341 4.306 0.439
Start of MODEL 10
1 H1 TRP 1 H TRP 1 1.621 0.117 0.742
2 HA TRP 1 HA TRP 1 3.079 -0.704 -1.635
3 HB2 TRP 1 2HB TRP 1 0.677 1.058 -1.177
4 HB3 TRP 1 3HB TRP 1 1.458 0.934 -2.751
5 HD1 TRP 1 HD1 TRP 1 -0.850 -0.941 -0.404
6 HE1 TRP 1 HE1 TRP 1 -1.738 -3.044 -1.593
7 HE3 TRP 1 HE3 TRP 1 2.145 -0.858 -4.547
8 HZ2 TRP 1 HZ2 TRP 1 -1.236 -4.478 -3.971
9 HZ3 TRP 1 HZ3 TRP 1 1.878 -2.632 -6.231
10 HH2 TRP 1 HH2 TRP 1 0.222 -4.404 -5.947
11 H GLY 2 H GLY 2 5.089 0.251 -0.634
12 HA2 GLY 2 2HA GLY 2 5.210 3.170 -1.014
13 HA3 GLY 2 3HA GLY 2 6.340 2.226 -0.055
14 H CYS 3 H CYS 3 5.427 3.227 -3.266
15 HA CYS 3 HA CYS 3 8.116 2.571 -4.193
16 HB2 CYS 3 2HB CYS 3 5.982 0.921 -4.829
17 HB3 CYS 3 3HB CYS 3 6.119 1.972 -6.236
18 H VAL 4 H VAL 4 8.913 4.421 -4.918
19 HA VAL 4 HA VAL 4 7.143 6.210 -6.454
20 HB VAL 4 HB VAL 4 7.710 7.157 -4.236
21 HG11 VAL 4 1HG1 VAL 4 10.041 7.923 -3.856
22 HG12 VAL 4 2HG1 VAL 4 9.870 6.166 -3.866
23 HG13 VAL 4 3HG1 VAL 4 10.537 6.996 -5.272
24 HG21 VAL 4 1HG2 VAL 4 8.110 9.317 -5.016
25 HG22 VAL 4 2HG2 VAL 4 9.145 8.756 -6.328
26 HG23 VAL 4 3HG2 VAL 4 7.402 8.501 -6.410
27 H CYS 5 H CYS 5 8.051 7.307 -8.213
28 HA CYS 5 HA CYS 5 10.771 6.541 -8.996
29 HB2 CYS 5 2HB CYS 5 8.426 6.420 -10.898
30 HB3 CYS 5 3HB CYS 5 10.088 5.936 -11.223
31 H SER 6 H SER 6 11.874 8.054 -10.192
32 HA SER 6 HA SER 6 10.757 10.728 -10.154
33 HB2 SER 6 2HB SER 6 13.089 10.305 -9.416
34 HB3 SER 6 3HB SER 6 13.494 9.798 -11.055
35 HG SER 6 HG SER 6 12.340 12.322 -10.568
36 H GLY 7 H GLY 7 9.104 10.138 -11.791
37 HA2 GLY 7 2HA GLY 7 9.634 11.270 -14.266
38 HA3 GLY 7 3HA GLY 7 9.851 9.538 -14.467
39 H SER 8 H SER 8 8.072 8.166 -14.352
40 HA SER 8 HA SER 8 5.447 9.493 -14.220
41 HB2 SER 8 2HB SER 8 6.588 8.455 -16.530
42 HB3 SER 8 3HB SER 8 5.498 7.177 -15.993
43 HG SER 8 HG SER 8 4.539 8.815 -17.380
44 H THR 9 H THR 9 3.677 7.646 -14.195
45 HA THR 9 HA THR 9 4.177 6.157 -11.786
46 HB THR 9 HB THR 9 1.723 6.024 -13.543
47 HG1 THR 9 HG1 THR 9 1.084 7.866 -12.667
48 HG21 THR 9 1HG2 THR 9 2.419 4.516 -11.347
49 HG22 THR 9 2HG2 THR 9 0.777 4.781 -11.934
50 HG23 THR 9 3HG2 THR 9 1.429 5.798 -10.649
51 H ALA 10 H ALA 10 3.707 5.410 -15.203
52 HA ALA 10 HA ALA 10 3.445 2.658 -15.089
53 HB1 ALA 10 1HB ALA 10 4.443 4.575 -17.114
54 HB2 ALA 10 2HB ALA 10 4.821 2.869 -17.358
55 HB3 ALA 10 3HB ALA 10 3.142 3.389 -17.217
56 H VAL 11 H VAL 11 6.355 4.633 -14.892
57 HA VAL 11 HA VAL 11 8.110 2.335 -14.887
58 HB VAL 11 HB VAL 11 8.920 4.390 -15.887
59 HG11 VAL 11 1HG1 VAL 11 7.697 6.040 -14.658
60 HG12 VAL 11 2HG1 VAL 11 8.492 5.581 -13.152
61 HG13 VAL 11 3HG1 VAL 11 9.417 6.358 -14.437
62 HG21 VAL 11 1HG2 VAL 11 10.367 3.740 -13.321
63 HG22 VAL 11 2HG2 VAL 11 10.564 2.913 -14.866
64 HG23 VAL 11 3HG2 VAL 11 11.057 4.598 -14.698
65 H ALA 12 H ALS 12 6.561 4.417 -12.562
66 HB1 ALA 12 1HB ALS 12 5.227 4.535 -10.374
67 HB2 ALA 12 2HB ALS 12 6.313 4.685 -8.992
68 HB3 ALA 12 3HB ALS 12 6.548 5.704 -10.413
69 H ASN 13 H ASN 13 5.108 2.378 -11.402
70 HA ASN 13 HA ASN 13 5.134 0.386 -9.356
71 HB2 ASN 13 2HB ASN 13 3.139 -0.403 -10.292
72 HB3 ASN 13 3HB ASN 13 3.112 1.316 -10.675
73 HD21 ASN 13 1HD2 ASN 13 3.672 1.970 -12.813
74 HD22 ASN 13 2HD2 ASN 13 3.454 0.885 -14.140
75 H SER 14 H SER 14 6.452 0.646 -12.549
76 HA SER 14 HA SER 14 6.714 -1.993 -13.322
77 HB2 SER 14 2HB SER 14 8.069 0.530 -13.939
78 HB3 SER 14 3HB SER 14 9.104 -0.884 -14.138
79 HG SER 14 HG SER 14 7.815 -1.634 -15.695
80 H HIS 15 H HIS 15 8.756 -0.117 -11.128
81 HA HIS 15 HA HIS 15 10.454 -2.433 -10.631
82 HB2 HIS 15 2HB HIS 15 11.028 0.223 -10.740
83 HB3 HIS 15 3HB HIS 15 10.838 0.000 -9.004
84 HD1 HIS 15 HD1 HIS 15 12.417 -1.918 -7.937
85 HD2 HIS 15 HD2 HIS 15 13.440 -0.566 -11.730
86 HE1 HIS 15 HE1 HIS 15 14.800 -2.640 -8.288
87 H ASN 16 H NSS 16 8.684 -0.103 -8.583
88 HB2 ASN 16 2HB NSS 16 6.457 -2.012 -8.177
89 HB3 ASN 16 3HB NSS 16 7.032 -3.159 -6.971
90 HD21 ASN 16 1HD2 NSS 16 5.184 -0.206 -7.430
91 HD22 ASN 16 2HD2 NSS 16 4.195 -0.388 -6.025
92 H ALA 17 H ALA 17 7.467 -2.338 -4.714
93 HA ALA 17 HA ALA 17 9.948 -3.755 -4.354
94 HB1 ALA 17 1HB ALA 17 9.635 -2.211 -1.962
95 HB2 ALA 17 2HB ALA 17 11.033 -2.342 -3.031
96 HB3 ALA 17 3HB ALA 17 9.787 -1.136 -3.352
97 H GLY 18 H GLY 18 7.406 -2.428 -2.221
98 HA2 GLY 18 2HA GLY 18 5.829 -4.656 -1.935
99 HA3 GLY 18 3HA GLY 18 7.151 -4.903 -0.804
100 HA PRO 19 HA PRO 19 3.713 -2.344 1.133
101 HB2 PRO 19 2HB PRO 19 3.129 -4.086 3.131
102 HB3 PRO 19 3HB PRO 19 2.344 -4.141 1.549
103 HG2 PRO 19 2HG PRO 19 4.610 -5.793 2.596
104 HG3 PRO 19 3HG PRO 19 3.197 -6.301 1.652
105 HD2 PRO 19 2HD PRO 19 5.634 -5.915 0.536
106 HD3 PRO 19 3HD PRO 19 4.122 -5.604 -0.341
107 H ALA 20 H ALA 20 6.264 -4.338 2.580
108 HA ALA 20 HA ALA 20 6.701 -2.230 4.590
109 HB1 ALA 20 1HB ALA 20 7.431 -5.154 4.658
110 HB2 ALA 20 2HB ALA 20 7.892 -3.977 5.888
111 HB3 ALA 20 3HB ALA 20 6.190 -4.345 5.614
112 H TYR 21 H TYR 21 7.687 -2.381 1.759
113 HA TYR 21 HA TYR 21 10.561 -2.160 2.368
114 HB2 TYR 21 2HB TYR 21 9.250 -3.291 -0.107
115 HB3 TYR 21 3HB TYR 21 10.954 -2.860 -0.026
116 HD1 TYR 21 HD1 TYR 21 8.393 -5.005 1.621
117 HD2 TYR 21 HD2 TYR 21 12.513 -4.415 0.742
118 HE1 TYR 21 HE1 TYR 21 8.902 -7.227 2.545
119 HE2 TYR 21 HE2 TYR 21 13.034 -6.636 1.662
120 HH TYR 21 HH TYR 21 10.469 -8.764 2.888
121 H CYS 22 H CYS 22 11.548 -0.327 1.747
122 HA CYS 22 HA CYS 22 9.947 1.610 0.210
123 HB2 CYS 22 2HB CYS 22 12.125 2.113 2.250
124 HB3 CYS 22 3HB CYS 22 11.275 3.362 1.347
125 H VAL 23 H VAL 23 10.754 2.463 -1.621
126 HA VAL 23 HA VAL 23 13.598 2.163 -2.225
127 HB VAL 23 HB VAL 23 11.423 1.192 -4.085
128 HG11 VAL 23 1HG1 VAL 23 13.533 0.359 -5.340
129 HG12 VAL 23 2HG1 VAL 23 13.042 2.046 -5.506
130 HG13 VAL 23 3HG1 VAL 23 14.366 1.614 -4.423
131 HG21 VAL 23 1HG2 VAL 23 11.858 -0.353 -2.236
132 HG22 VAL 23 2HG2 VAL 23 12.410 -1.017 -3.774
133 HG23 VAL 23 3HG2 VAL 23 13.576 -0.345 -2.634
134 H GLY 24 H GLY 24 14.310 4.099 -2.809
135 HA2 GLY 24 2HA GLY 24 12.427 5.950 -4.122
136 HA3 GLY 24 3HA GLY 24 13.828 6.438 -3.180
137 H TYR 25 H TYR 25 12.636 6.059 -6.253
138 HA TYR 25 HA TYR 25 15.034 5.271 -7.603
139 HB2 TYR 25 2HB TYR 25 12.583 5.096 -8.425
140 HB3 TYR 25 3HB TYR 25 12.780 6.779 -8.900
141 HD1 TYR 25 HD1 TYR 25 15.058 7.211 -10.267
142 HD2 TYR 25 HD2 TYR 25 12.980 3.506 -10.041
143 HE1 TYR 25 HE1 TYR 25 16.113 6.498 -12.372
144 HE2 TYR 25 HE2 TYR 25 14.030 2.782 -12.144
145 HH TYR 25 HH TYR 25 15.136 4.393 -14.297
146 H CYS 26 H CYS 26 16.777 6.536 -7.448
147 HA CYS 26 HA CYS 26 16.439 9.415 -7.985
148 HB2 CYS 26 2HB CYS 26 18.493 8.099 -6.193
149 HB3 CYS 26 3HB CYS 26 18.407 9.820 -6.554
150 H GLY 27 H GLY 27 17.057 9.696 -10.039
151 HA2 GLY 27 2HA GLY 27 18.974 8.062 -11.360
152 HA3 GLY 27 3HA GLY 27 18.296 9.563 -11.973
153 H ASN 28 H ASN 28 19.909 10.859 -12.542
154 HA ASN 28 HA ASN 28 22.371 10.873 -10.965
155 HB2 ASN 28 2HB ASN 28 22.030 10.850 -13.650
156 HB3 ASN 28 3HB ASN 28 22.160 12.584 -13.371
157 HD21 ASN 28 1HD2 ASN 28 24.006 11.049 -14.827
158 HD22 ASN 28 2HD2 ASN 28 25.515 11.083 -13.987
159 H ASN 29 H ASN 29 19.827 12.119 -10.073
160 HA ASN 29 HA ASN 29 20.160 14.955 -10.265
161 HB2 ASN 29 2HB ASN 29 18.403 14.953 -8.419
162 HB3 ASN 29 3HB ASN 29 17.936 14.202 -9.942
163 HD21 ASN 29 1HD2 ASN 29 17.004 12.300 -9.802
164 HD22 ASN 29 2HD2 ASN 29 17.137 11.194 -8.481
165 H GLY 30 H GLY 30 21.078 12.464 -7.969
166 HA2 GLY 30 2HA GLY 30 23.227 13.119 -6.797
167 HA3 GLY 30 3HA GLY 30 22.330 14.541 -6.285
168 H VAL 31 H VAL 31 22.916 13.814 -4.117
169 HA VAL 31 HA VAL 31 21.641 11.406 -3.129
170 HB VAL 31 HB VAL 31 23.073 13.532 -1.535
171 HG11 VAL 31 1HG1 VAL 31 22.089 12.292 0.089
172 HG12 VAL 31 2HG1 VAL 31 21.937 10.865 -0.938
173 HG13 VAL 31 3HG1 VAL 31 23.489 11.259 -0.196
174 HG21 VAL 31 1HG2 VAL 31 24.971 11.804 -1.648
175 HG22 VAL 31 2HG2 VAL 31 24.118 11.165 -3.053
176 HG23 VAL 31 3HG2 VAL 31 24.699 12.830 -3.057
177 H VAL 32 H VAL 32 21.054 14.834 -3.189
178 HA VAL 32 HA VAL 32 19.282 15.141 -1.075
179 HB VAL 32 HB VAL 32 19.169 16.499 -3.772
180 HG11 VAL 32 1HG1 VAL 32 17.410 16.636 -1.536
181 HG12 VAL 32 2HG1 VAL 32 18.265 18.173 -1.681
182 HG13 VAL 32 3HG1 VAL 32 17.348 17.540 -3.049
183 HG21 VAL 32 1HG2 VAL 32 20.285 18.344 -2.299
184 HG22 VAL 32 2HG2 VAL 32 20.762 16.977 -1.292
185 HG23 VAL 32 3HG2 VAL 32 21.265 17.046 -2.981
186 H THR 33 H THR 33 18.296 14.778 -4.485
187 HA THR 33 HA THR 33 15.610 14.246 -3.972
188 HB THR 33 HB THR 33 16.677 12.841 -6.319
189 HG1 THR 33 HG1 THR 33 18.207 14.427 -6.401
190 HG21 THR 33 1HG2 THR 33 14.463 14.648 -5.584
191 HG22 THR 33 2HG2 THR 33 14.472 13.234 -6.639
192 HG23 THR 33 3HG2 THR 33 15.047 14.789 -7.241
193 H ARG 34 H RSS 34 18.366 12.057 -4.210
194 HB2 ARG 34 2HB RSS 34 19.467 9.707 -4.510
195 HB3 ARG 34 3HB RSS 34 19.635 10.425 -2.914
196 HG2 ARG 34 2HG RSS 34 18.283 7.844 -2.878
197 HG3 ARG 34 3HG RSS 34 19.927 7.773 -3.515
198 HD2 ARG 34 2HD RSS 34 20.653 9.067 -1.483
199 HD3 ARG 34 3HD RSS 34 19.029 8.823 -0.840
200 HE ARG 34 HE RSS 34 19.842 6.314 -1.449
201 HH11 ARG 34 1HH2 RSS 34 20.939 4.910 -0.025
202 HH12 ARG 34 2HH2 RSS 34 21.903 5.573 1.251
203 HH21 ARG 34 1HH1 RSS 34 21.234 8.902 0.419
204 HH22 ARG 34 2HH1 RSS 34 22.071 7.843 1.505
205 H ASN 35 H ASN 35 17.428 11.814 -1.626
206 HA ASN 35 HA ASN 35 16.531 9.891 0.335
207 HB2 ASN 35 2HB ASN 35 17.066 12.861 0.474
208 HB3 ASN 35 3HB ASN 35 16.501 11.916 1.849
209 HD21 ASN 35 1HD2 ASN 35 19.121 13.309 0.758
210 HD22 ASN 35 2HD2 ASN 35 20.344 12.200 1.269
211 H ALA 36 H ALA 36 15.211 12.831 -1.171
212 HA ALA 36 HA ALA 36 12.754 12.933 0.081
213 HB1 ALA 36 1HB ALA 36 12.629 13.534 -2.781
214 HB2 ALA 36 2HB ALA 36 12.290 14.561 -1.387
215 HB3 ALA 36 3HB ALA 36 13.953 14.329 -1.929
216 H ASN 37 H ASN 37 13.727 10.992 -2.712
217 HA ASN 37 HA ASN 37 11.178 9.970 -3.334
218 HB2 ASN 37 2HB ASN 37 13.970 8.964 -3.863
219 HB3 ASN 37 3HB ASN 37 12.545 8.089 -4.415
220 HD21 ASN 37 1HD2 ASN 37 11.849 8.556 -6.366
221 HD22 ASN 37 2HD2 ASN 37 12.169 10.011 -7.240
222 H ALA 38 H ALA 38 13.868 8.400 -1.592
223 HA ALA 38 HA ALA 38 12.497 6.115 -0.798
224 HB1 ALA 38 1HB ALA 38 14.208 5.931 0.986
225 HB2 ALA 38 2HB ALA 38 14.890 6.253 -0.608
226 HB3 ALA 38 3HB ALA 38 14.762 7.554 0.575
227 H ASN 39 H ASN 39 12.341 9.349 0.429
228 HA ASN 39 HA ASN 39 11.255 8.725 2.986
229 HB2 ASN 39 2HB ASN 39 11.875 11.117 1.451
230 HB3 ASN 39 3HB ASN 39 10.361 11.281 2.336
231 HD21 ASN 39 1HD2 ASN 39 13.040 12.517 2.684
232 HD22 ASN 39 2HD2 ASN 39 13.462 12.212 4.332
233 H VAL 40 H VAL 40 9.898 9.288 -0.194
234 HA VAL 40 HA VAL 40 7.181 9.450 0.727
235 HB VAL 40 HB VAL 40 8.209 8.964 -2.072
236 HG11 VAL 40 1HG1 VAL 40 5.993 8.395 -2.229
237 HG12 VAL 40 2HG1 VAL 40 5.510 9.473 -0.918
238 HG13 VAL 40 3HG1 VAL 40 5.896 10.134 -2.507
239 HG21 VAL 40 1HG2 VAL 40 8.073 11.365 -0.407
240 HG22 VAL 40 2HG2 VAL 40 9.006 11.051 -1.870
241 HG23 VAL 40 3HG2 VAL 40 7.317 11.545 -1.990
242 H ALA 41 H ALA 41 9.337 6.938 -0.367
243 HA ALA 41 HA ALA 41 7.224 4.984 -0.677
244 HB1 ALA 41 1HB ALA 41 9.924 3.918 -0.534
245 HB2 ALA 41 2HB ALA 41 8.730 3.810 -1.828
246 HB3 ALA 41 3HB ALA 41 9.770 5.229 -1.704
247 H LYS 42 H KSS 42 10.002 5.437 1.509
248 HB2 LYS 42 2HB KSS 42 10.949 4.405 4.786
249 HB3 LYS 42 3HB KSS 42 11.528 4.920 3.208
250 HG2 LYS 42 2HG KSS 42 10.233 6.998 3.433
251 HG3 LYS 42 3HG KSS 42 9.723 6.484 5.043
252 HD2 LYS 42 2HD KSS 42 12.599 6.843 4.207
253 HD3 LYS 42 3HD KSS 42 11.645 8.075 5.037
254 HE2 LYS 42 2HE KSS 42 11.222 5.972 6.665
255 HE3 LYS 42 3HE KSS 42 12.829 5.572 6.062
256 HZ1 LYS 42 1HZ KSS 42 13.086 8.178 6.656
257 HZ2 LYS 42 2HZ KSS 42 13.509 6.915 7.698
258 HZ3 LYS 42 3HZ KSS 42 12.007 7.677 7.859
259 H THR 43 H THR 43 7.898 6.332 3.061
260 HA THR 43 HA THR 43 6.478 5.834 5.539
261 HB THR 43 HB THR 43 5.246 7.927 4.980
262 HG1 THR 43 HG1 THR 43 5.389 7.860 2.716
263 HG21 THR 43 1HG2 THR 43 8.260 7.986 4.960
264 HG22 THR 43 2HG2 THR 43 7.182 8.165 6.344
265 HG23 THR 43 3HG2 THR 43 7.266 9.433 5.122
266 H ALA 44 H ALA 44 5.809 5.828 2.067
267 HA ALA 44 HA ALA 44 3.034 5.153 2.420
268 HB1 ALA 44 1HB ALA 44 4.756 5.139 -0.056
269 HB2 ALA 44 2HB ALA 44 3.003 4.941 -0.025
270 HB3 ALA 44 3HB ALA 44 3.728 6.462 0.496
Start of MODEL 11
1 H1 TRP 1 H TRP 1 0.666 1.039 -0.283
2 HA TRP 1 HA TRP 1 2.912 -0.577 -1.241
3 HB2 TRP 1 2HB TRP 1 0.512 0.539 -2.449
4 HB3 TRP 1 3HB TRP 1 1.955 0.915 -3.387
5 HD1 TRP 1 HD1 TRP 1 1.431 -2.397 -1.488
6 HE1 TRP 1 HE1 TRP 1 1.414 -4.315 -3.205
7 HE3 TRP 1 HE3 TRP 1 1.602 0.361 -5.789
8 HZ2 TRP 1 HZ2 TRP 1 1.467 -4.619 -6.010
9 HZ3 TRP 1 HZ3 TRP 1 1.617 -0.820 -7.948
10 HH2 TRP 1 HH2 TRP 1 1.551 -3.259 -8.054
11 H GLY 2 H GLY 2 4.797 0.378 -0.708
12 HA2 GLY 2 2HA GLY 2 5.069 3.273 -1.183
13 HA3 GLY 2 3HA GLY 2 6.101 2.316 -0.130
14 H CYS 3 H CYS 3 5.574 3.476 -3.318
15 HA CYS 3 HA CYS 3 8.213 2.542 -4.097
16 HB2 CYS 3 2HB CYS 3 5.905 1.168 -4.950
17 HB3 CYS 3 3HB CYS 3 6.444 2.118 -6.331
18 H VAL 4 H VAL 4 9.204 4.333 -4.728
19 HA VAL 4 HA VAL 4 7.698 6.272 -6.361
20 HB VAL 4 HB VAL 4 8.187 7.166 -4.113
21 HG11 VAL 4 1HG1 VAL 4 10.565 7.713 -3.572
22 HG12 VAL 4 2HG1 VAL 4 10.188 5.989 -3.546
23 HG13 VAL 4 3HG1 VAL 4 11.050 6.684 -4.919
24 HG21 VAL 4 1HG2 VAL 4 8.325 8.468 -6.417
25 HG22 VAL 4 2HG2 VAL 4 8.670 9.261 -4.880
26 HG23 VAL 4 3HG2 VAL 4 9.995 8.702 -5.900
27 H CYS 5 H CYS 5 8.800 7.289 -8.052
28 HA CYS 5 HA CYS 5 11.489 6.290 -8.671
29 HB2 CYS 5 2HB CYS 5 9.278 6.429 -10.726
30 HB3 CYS 5 3HB CYS 5 10.899 5.777 -10.943
31 H SER 6 H SER 6 12.762 7.664 -9.936
32 HA SER 6 HA SER 6 11.965 10.452 -9.810
33 HB2 SER 6 2HB SER 6 14.254 9.629 -9.117
34 HB3 SER 6 3HB SER 6 14.582 9.325 -10.822
35 HG SER 6 HG SER 6 15.103 11.502 -9.705
36 H GLY 7 H GLY 7 10.247 9.923 -11.480
37 HA2 GLY 7 2HA GLY 7 10.905 11.110 -13.924
38 HA3 GLY 7 3HA GLY 7 10.939 9.368 -14.160
39 H SER 8 H SER 8 9.022 8.184 -14.046
40 HA SER 8 HA SER 8 6.552 9.782 -13.904
41 HB2 SER 8 2HB SER 8 7.302 7.694 -15.957
42 HB3 SER 8 3HB SER 8 5.649 8.262 -15.719
43 HG SER 8 HG SER 8 7.533 9.373 -17.183
44 H THR 9 H THR 9 4.595 8.145 -13.891
45 HA THR 9 HA THR 9 4.935 6.567 -11.511
46 HB THR 9 HB THR 9 2.400 6.177 -12.892
47 HG1 THR 9 HG1 THR 9 1.849 8.500 -12.418
48 HG21 THR 9 1HG2 THR 9 2.588 7.725 -10.379
49 HG22 THR 9 2HG2 THR 9 3.246 6.089 -10.340
50 HG23 THR 9 3HG2 THR 9 1.562 6.351 -10.791
51 H ALA 10 H ALA 10 4.334 5.931 -14.934
52 HA ALA 10 HA ALA 10 3.783 3.225 -14.861
53 HB1 ALA 10 1HB ALA 10 5.358 4.750 -16.930
54 HB2 ALA 10 2HB ALA 10 4.684 3.135 -17.154
55 HB3 ALA 10 3HB ALA 10 3.611 4.511 -16.900
56 H VAL 11 H VAL 11 6.893 4.865 -14.666
57 HA VAL 11 HA VAL 11 8.380 2.384 -14.710
58 HB VAL 11 HB VAL 11 9.395 4.351 -15.712
59 HG11 VAL 11 1HG1 VAL 11 8.383 6.100 -14.412
60 HG12 VAL 11 2HG1 VAL 11 9.197 5.542 -12.949
61 HG13 VAL 11 3HG1 VAL 11 10.136 6.234 -14.272
62 HG21 VAL 11 1HG2 VAL 11 11.412 3.612 -15.126
63 HG22 VAL 11 2HG2 VAL 11 11.232 4.229 -13.484
64 HG23 VAL 11 3HG2 VAL 11 10.616 2.629 -13.897
65 H ALA 12 H ALS 12 7.121 4.620 -12.351
66 HB1 ALA 12 1HB ALS 12 7.239 5.876 -10.206
67 HB2 ALA 12 2HB ALS 12 5.818 4.833 -10.135
68 HB3 ALA 12 3HB ALS 12 6.944 4.883 -8.778
69 H ASN 13 H ASN 13 5.534 2.660 -11.263
70 HA ASN 13 HA ASN 13 5.373 0.678 -9.199
71 HB2 ASN 13 2HB ASN 13 3.308 0.078 -10.128
72 HB3 ASN 13 3HB ASN 13 3.433 1.796 -10.493
73 HD21 ASN 13 1HD2 ASN 13 3.941 2.437 -12.621
74 HD22 ASN 13 2HD2 ASN 13 3.653 1.385 -13.960
75 H SER 14 H SER 14 6.686 0.839 -12.401
76 HA SER 14 HA SER 14 6.700 -1.805 -13.194
77 HB2 SER 14 2HB SER 14 7.622 0.344 -14.366
78 HB3 SER 14 3HB SER 14 9.145 -0.112 -13.603
79 HG SER 14 HG SER 14 9.201 -1.946 -14.777
80 H HIS 15 H HIS 15 8.723 -0.191 -10.829
81 HA HIS 15 HA HIS 15 10.289 -2.630 -10.422
82 HB2 HIS 15 2HB HIS 15 10.940 0.090 -10.319
83 HB3 HIS 15 3HB HIS 15 10.954 -0.444 -8.640
84 HD1 HIS 15 HD1 HIS 15 13.029 -0.314 -11.581
85 HD2 HIS 15 HD2 HIS 15 12.690 -2.833 -8.294
86 HE1 HIS 15 HE1 HIS 15 15.190 -1.598 -11.491
87 H ASN 16 H NSS 16 8.673 -0.220 -8.341
88 HB2 ASN 16 2HB NSS 16 6.295 -1.953 -8.021
89 HB3 ASN 16 3HB NSS 16 6.755 -3.173 -6.837
90 HD21 ASN 16 1HD2 NSS 16 5.190 -0.044 -7.219
91 HD22 ASN 16 2HD2 NSS 16 4.152 -0.192 -5.845
92 H ALA 17 H ALA 17 7.214 -2.446 -4.552
93 HA ALA 17 HA ALA 17 9.539 -4.095 -4.192
94 HB1 ALA 17 1HB ALA 17 10.649 -2.246 -3.346
95 HB2 ALA 17 2HB ALA 17 9.194 -1.589 -2.594
96 HB3 ALA 17 3HB ALA 17 9.990 -2.998 -1.893
97 H GLY 18 H GLY 18 7.106 -2.516 -2.102
98 HA2 GLY 18 2HA GLY 18 5.399 -4.684 -1.811
99 HA3 GLY 18 3HA GLY 18 6.635 -4.865 -0.575
100 HA PRO 19 HA PRO 19 3.138 -2.025 0.841
101 HB2 PRO 19 2HB PRO 19 2.203 -3.622 2.826
102 HB3 PRO 19 3HB PRO 19 1.599 -3.699 1.167
103 HG2 PRO 19 2HG PRO 19 3.602 -5.453 2.536
104 HG3 PRO 19 3HG PRO 19 2.271 -5.906 1.456
105 HD2 PRO 19 2HD PRO 19 4.840 -5.746 0.615
106 HD3 PRO 19 3HD PRO 19 3.464 -5.374 -0.443
107 H ALA 20 H ALA 20 5.407 -4.090 2.606
108 HA ALA 20 HA ALA 20 5.724 -1.957 4.611
109 HB1 ALA 20 1HB ALA 20 5.022 -4.076 5.564
110 HB2 ALA 20 2HB ALA 20 6.398 -4.889 4.817
111 HB3 ALA 20 3HB ALA 20 6.664 -3.686 6.079
112 H TYR 21 H TYR 21 6.981 -2.197 1.895
113 HA TYR 21 HA TYR 21 9.796 -2.155 2.769
114 HB2 TYR 21 2HB TYR 21 8.594 -3.084 0.163
115 HB3 TYR 21 3HB TYR 21 10.305 -2.704 0.330
116 HD1 TYR 21 HD1 TYR 21 7.644 -4.812 1.883
117 HD2 TYR 21 HD2 TYR 21 11.776 -4.380 0.968
118 HE1 TYR 21 HE1 TYR 21 8.060 -7.088 2.716
119 HE2 TYR 21 HE2 TYR 21 12.204 -6.656 1.796
120 HH TYR 21 HH TYR 21 9.664 -8.855 2.522
121 H CYS 22 H CYS 22 11.193 -0.666 1.610
122 HA CYS 22 HA CYS 22 9.780 1.577 0.343
123 HB2 CYS 22 2HB CYS 22 11.889 1.823 2.500
124 HB3 CYS 22 3HB CYS 22 11.193 3.167 1.600
125 H VAL 23 H VAL 23 10.768 2.408 -1.410
126 HA VAL 23 HA VAL 23 13.601 1.888 -1.872
127 HB VAL 23 HB VAL 23 11.470 1.048 -3.842
128 HG11 VAL 23 1HG1 VAL 23 14.466 1.185 -4.039
129 HG12 VAL 23 2HG1 VAL 23 13.494 0.151 -5.089
130 HG13 VAL 23 3HG1 VAL 23 13.262 1.899 -5.111
131 HG21 VAL 23 1HG2 VAL 23 11.661 -0.566 -2.072
132 HG22 VAL 23 2HG2 VAL 23 12.448 -1.213 -3.511
133 HG23 VAL 23 3HG2 VAL 23 13.421 -0.556 -2.195
134 H GLY 24 H GLY 24 14.483 3.756 -2.446
135 HA2 GLY 24 2HA GLY 24 12.793 5.740 -3.825
136 HA3 GLY 24 3HA GLY 24 14.193 6.123 -2.834
137 H TYR 25 H TYR 25 13.053 5.430 -5.972
138 HA TYR 25 HA TYR 25 15.717 4.957 -7.052
139 HB2 TYR 25 2HB TYR 25 13.505 3.806 -7.809
140 HB3 TYR 25 3HB TYR 25 13.246 5.287 -8.724
141 HD1 TYR 25 HD1 TYR 25 15.832 2.652 -8.166
142 HD2 TYR 25 HD2 TYR 25 14.106 5.447 -10.870
143 HE1 TYR 25 HE1 TYR 25 17.257 1.778 -9.970
144 HE2 TYR 25 HE2 TYR 25 15.526 4.580 -12.682
145 HH TYR 25 HH TYR 25 16.857 1.870 -12.840
146 H CYS 26 H CYS 26 16.964 6.678 -7.351
147 HA CYS 26 HA CYS 26 16.165 8.800 -9.072
148 HB2 CYS 26 2HB CYS 26 16.578 10.621 -7.342
149 HB3 CYS 26 3HB CYS 26 15.053 9.751 -7.206
150 H GLY 27 H GLY 27 17.938 9.136 -10.228
151 HA2 GLY 27 2HA GLY 27 20.470 9.649 -8.917
152 HA3 GLY 27 3HA GLY 27 20.434 8.184 -9.885
153 H ASN 28 H ASN 28 18.684 11.131 -10.660
154 HA ASN 28 HA ASN 28 20.616 11.736 -12.780
155 HB2 ASN 28 2HB ASN 28 17.677 11.184 -13.145
156 HB3 ASN 28 3HB ASN 28 18.582 12.158 -14.299
157 HD21 ASN 28 1HD2 ASN 28 17.716 9.051 -13.348
158 HD22 ASN 28 2HD2 ASN 28 18.764 8.165 -14.398
159 H ASN 29 H ASN 29 19.926 12.979 -10.208
160 HA ASN 29 HA ASN 29 19.506 15.674 -11.213
161 HB2 ASN 29 2HB ASN 29 17.764 14.466 -9.053
162 HB3 ASN 29 3HB ASN 29 17.803 16.176 -9.474
163 HD21 ASN 29 1HD2 ASN 29 16.502 13.130 -10.182
164 HD22 ASN 29 2HD2 ASN 29 15.588 13.578 -11.578
165 H GLY 30 H GLY 30 19.556 14.023 -8.045
166 HA2 GLY 30 2HA GLY 30 22.165 14.949 -7.388
167 HA3 GLY 30 3HA GLY 30 20.941 15.969 -6.646
168 H VAL 31 H VAL 31 22.492 14.836 -4.889
169 HA VAL 31 HA VAL 31 21.753 12.199 -4.102
170 HB VAL 31 HB VAL 31 23.065 14.373 -2.463
171 HG11 VAL 31 1HG1 VAL 31 22.744 11.414 -2.019
172 HG12 VAL 31 2HG1 VAL 31 23.935 12.396 -1.163
173 HG13 VAL 31 3HG1 VAL 31 22.214 12.734 -0.977
174 HG21 VAL 31 1HG2 VAL 31 24.074 12.472 -4.492
175 HG22 VAL 31 2HG2 VAL 31 24.658 14.077 -4.051
176 HG23 VAL 31 3HG2 VAL 31 25.058 12.686 -3.044
177 H VAL 32 H VAL 32 20.701 15.436 -3.187
178 HA VAL 32 HA VAL 32 19.198 14.853 -0.930
179 HB VAL 32 HB VAL 32 18.520 16.885 -3.061
180 HG11 VAL 32 1HG1 VAL 32 17.368 18.070 -1.260
181 HG12 VAL 32 2HG1 VAL 32 16.677 16.466 -1.514
182 HG13 VAL 32 3HG1 VAL 32 17.752 16.759 -0.146
183 HG21 VAL 32 1HG2 VAL 32 20.437 17.861 -2.478
184 HG22 VAL 32 2HG2 VAL 32 19.704 18.173 -0.905
185 HG23 VAL 32 3HG2 VAL 32 20.689 16.731 -1.148
186 H THR 33 H THR 33 18.105 14.943 -4.320
187 HA THR 33 HA THR 33 15.455 14.208 -3.887
188 HB THR 33 HB THR 33 16.802 13.145 -6.320
189 HG1 THR 33 HG1 THR 33 17.692 15.002 -6.768
190 HG21 THR 33 1HG2 THR 33 14.190 13.694 -5.534
191 HG22 THR 33 2HG2 THR 33 14.740 13.308 -7.165
192 HG23 THR 33 3HG2 THR 33 14.595 14.991 -6.659
193 H ARG 34 H RSS 34 18.257 12.137 -4.621
194 HB2 ARG 34 2HB RSS 34 19.306 9.842 -5.299
195 HB3 ARG 34 3HB RSS 34 19.739 10.431 -3.700
196 HG2 ARG 34 2HG RSS 34 18.439 7.794 -3.766
197 HG3 ARG 34 3HG RSS 34 20.039 7.881 -4.505
198 HD2 ARG 34 2HD RSS 34 20.631 9.183 -2.302
199 HD3 ARG 34 3HD RSS 34 19.223 8.328 -1.673
200 HE ARG 34 HE RSS 34 21.792 7.231 -2.164
201 HH11 ARG 34 1HH2 RSS 34 22.111 4.990 -1.880
202 HH12 ARG 34 2HH2 RSS 34 20.742 3.931 -1.853
203 HH21 ARG 34 1HH1 RSS 34 18.395 6.482 -2.319
204 HH22 ARG 34 2HH1 RSS 34 18.628 4.779 -2.103
205 H ASN 35 H ASN 35 17.775 11.663 -1.944
206 HA ASN 35 HA ASN 35 17.238 9.567 -0.029
207 HB2 ASN 35 2HB ASN 35 17.791 12.523 0.255
208 HB3 ASN 35 3HB ASN 35 17.442 11.477 1.629
209 HD21 ASN 35 1HD2 ASN 35 19.866 12.947 0.193
210 HD22 ASN 35 2HD2 ASN 35 21.147 11.815 0.444
211 H ALA 36 H ALA 36 15.683 12.637 -0.952
212 HA ALA 36 HA ALA 36 13.461 12.518 0.682
213 HB1 ALA 36 1HB ALA 36 13.170 13.502 -2.122
214 HB2 ALA 36 2HB ALA 36 12.543 14.183 -0.621
215 HB3 ALA 36 3HB ALA 36 14.256 14.333 -1.009
216 H ASN 37 H ASN 37 14.109 10.796 -2.298
217 HA ASN 37 HA ASN 37 11.520 9.929 -2.905
218 HB2 ASN 37 2HB ASN 37 14.258 8.837 -3.477
219 HB3 ASN 37 3HB ASN 37 12.826 7.922 -3.938
220 HD21 ASN 37 1HD2 ASN 37 12.867 8.109 -6.091
221 HD22 ASN 37 2HD2 ASN 37 12.817 9.606 -6.953
222 H ALA 38 H ALA 38 14.074 8.237 -1.080
223 HA ALA 38 HA ALA 38 12.606 5.985 -0.370
224 HB1 ALA 38 1HB ALA 38 14.936 5.937 -0.013
225 HB2 ALA 38 2HB ALA 38 14.889 7.380 1.002
226 HB3 ALA 38 3HB ALA 38 14.206 5.864 1.591
227 H ASN 39 H ASN 39 12.457 9.220 0.855
228 HA ASN 39 HA ASN 39 11.220 8.613 3.349
229 HB2 ASN 39 2HB ASN 39 12.344 10.854 2.286
230 HB3 ASN 39 3HB ASN 39 10.632 11.237 2.133
231 HD21 ASN 39 1HD2 ASN 39 12.012 12.826 3.713
232 HD22 ASN 39 2HD2 ASN 39 11.694 12.511 5.382
233 H VAL 40 H VAL 40 10.052 9.262 0.105
234 HA VAL 40 HA VAL 40 7.294 9.469 0.883
235 HB VAL 40 HB VAL 40 8.464 9.016 -1.866
236 HG11 VAL 40 1HG1 VAL 40 5.743 10.023 -1.039
237 HG12 VAL 40 2HG1 VAL 40 6.331 9.841 -2.693
238 HG13 VAL 40 3HG1 VAL 40 6.091 8.417 -1.679
239 HG21 VAL 40 1HG2 VAL 40 9.208 11.107 -1.726
240 HG22 VAL 40 2HG2 VAL 40 7.528 11.637 -1.636
241 HG23 VAL 40 3HG2 VAL 40 8.439 11.336 -0.156
242 H ALA 41 H ALA 41 9.449 6.926 -0.133
243 HA ALA 41 HA ALA 41 7.314 5.030 -0.606
244 HB1 ALA 41 1HB ALA 41 8.886 3.674 -1.517
245 HB2 ALA 41 2HB ALA 41 9.766 5.198 -1.645
246 HB3 ALA 41 3HB ALA 41 10.106 4.093 -0.313
247 H LYS 42 H KSS 42 9.970 5.364 1.747
248 HB2 LYS 42 2HB KSS 42 10.694 4.241 5.052
249 HB3 LYS 42 3HB KSS 42 11.379 4.763 3.518
250 HG2 LYS 42 2HG KSS 42 10.102 6.874 3.718
251 HG3 LYS 42 3HG KSS 42 9.555 6.350 5.313
252 HD2 LYS 42 2HD KSS 42 12.438 6.718 4.497
253 HD3 LYS 42 3HD KSS 42 11.488 7.881 5.425
254 HE2 LYS 42 2HE KSS 42 11.081 5.747 6.950
255 HE3 LYS 42 3HE KSS 42 12.617 5.255 6.237
256 HZ1 LYS 42 1HZ KSS 42 13.346 7.624 6.926
257 HZ2 LYS 42 2HZ KSS 42 13.285 6.403 8.095
258 HZ3 LYS 42 3HZ KSS 42 12.037 7.541 7.995
259 H THR 43 H THR 43 7.820 6.310 3.201
260 HA THR 43 HA THR 43 6.276 5.885 5.601
261 HB THR 43 HB THR 43 5.045 7.948 4.855
262 HG1 THR 43 HG1 THR 43 5.306 7.996 2.674
263 HG21 THR 43 1HG2 THR 43 6.975 9.471 5.209
264 HG22 THR 43 2HG2 THR 43 8.056 8.088 5.041
265 HG23 THR 43 3HG2 THR 43 6.908 8.154 6.378
266 H ALA 44 H ALA 44 5.829 5.529 2.138
267 HA ALA 44 HA ALA 44 3.003 4.986 2.363
268 HB1 ALA 44 1HB ALA 44 3.534 4.203 -0.125
269 HB2 ALA 44 2HB ALA 44 3.359 5.902 0.316
270 HB3 ALA 44 3HB ALA 44 4.966 5.194 0.154
Start of MODEL 12
1 H1 TRP 1 H TRP 1 0.612 0.849 -0.846
2 HA TRP 1 HA TRP 1 2.584 -1.208 -1.157
3 HB2 TRP 1 2HB TRP 1 2.858 -0.853 -3.628
4 HB3 TRP 1 3HB TRP 1 1.381 -1.700 -3.174
5 HD1 TRP 1 HD1 TRP 1 -0.916 -0.118 -3.170
6 HE1 TRP 1 HE1 TRP 1 -1.553 1.790 -4.776
7 HE3 TRP 1 HE3 TRP 1 3.721 0.958 -5.035
8 HZ2 TRP 1 HZ2 TRP 1 -0.262 3.521 -6.593
9 HZ3 TRP 1 HZ3 TRP 1 3.934 2.754 -6.703
10 HH2 TRP 1 HH2 TRP 1 1.982 4.007 -7.465
11 H GLY 2 H GLY 2 4.571 -0.352 -0.972
12 HA2 GLY 2 2HA GLY 2 4.776 2.585 -1.103
13 HA3 GLY 2 3HA GLY 2 5.799 1.544 -0.125
14 H CYS 3 H CYS 3 5.187 2.797 -3.321
15 HA CYS 3 HA CYS 3 7.938 2.151 -4.057
16 HB2 CYS 3 2HB CYS 3 5.770 0.662 -5.035
17 HB3 CYS 3 3HB CYS 3 6.212 1.754 -6.343
18 H VAL 4 H VAL 4 8.828 4.027 -4.577
19 HA VAL 4 HA VAL 4 7.196 6.009 -6.027
20 HB VAL 4 HB VAL 4 7.843 6.726 -3.739
21 HG11 VAL 4 1HG1 VAL 4 10.573 7.385 -4.240
22 HG12 VAL 4 2HG1 VAL 4 9.891 6.386 -2.955
23 HG13 VAL 4 3HG1 VAL 4 10.346 5.655 -4.495
24 HG21 VAL 4 1HG2 VAL 4 7.489 8.313 -5.646
25 HG22 VAL 4 2HG2 VAL 4 8.519 8.930 -4.354
26 HG23 VAL 4 3HG2 VAL 4 9.240 8.352 -5.856
27 H CYS 5 H CYS 5 8.181 7.196 -7.691
28 HA CYS 5 HA CYS 5 10.835 6.304 -8.562
29 HB2 CYS 5 2HB CYS 5 8.441 6.477 -10.404
30 HB3 CYS 5 3HB CYS 5 10.077 6.002 -10.852
31 H SER 6 H SER 6 12.013 7.811 -9.731
32 HA SER 6 HA SER 6 11.048 10.553 -9.482
33 HB2 SER 6 2HB SER 6 13.742 9.292 -9.863
34 HB3 SER 6 3HB SER 6 13.507 10.987 -10.290
35 HG SER 6 HG SER 6 14.102 11.002 -8.184
36 H GLY 7 H GLY 7 9.560 9.503 -11.365
37 HA2 GLY 7 2HA GLY 7 10.284 10.973 -13.711
38 HA3 GLY 7 3HA GLY 7 10.417 9.239 -13.961
39 H SER 8 H SER 8 8.570 7.980 -14.068
40 HA SER 8 HA SER 8 6.019 9.454 -14.057
41 HB2 SER 8 2HB SER 8 7.064 7.474 -16.076
42 HB3 SER 8 3HB SER 8 5.343 7.822 -15.920
43 HG SER 8 HG SER 8 6.238 10.146 -16.072
44 H THR 9 H THR 9 4.138 7.747 -14.167
45 HA THR 9 HA THR 9 4.364 6.187 -11.771
46 HB THR 9 HB THR 9 1.973 5.487 -13.100
47 HG1 THR 9 HG1 THR 9 1.165 7.638 -13.527
48 HG21 THR 9 1HG2 THR 9 2.460 5.949 -10.646
49 HG22 THR 9 2HG2 THR 9 0.924 6.551 -11.268
50 HG23 THR 9 3HG2 THR 9 2.277 7.658 -11.037
51 H ALA 10 H ALA 10 4.102 5.492 -15.225
52 HA ALA 10 HA ALA 10 3.706 2.759 -15.170
53 HB1 ALA 10 1HB ALA 10 3.935 2.947 -17.374
54 HB2 ALA 10 2HB ALA 10 4.296 4.654 -17.111
55 HB3 ALA 10 3HB ALA 10 5.609 3.482 -17.223
56 H VAL 11 H VAL 11 6.713 4.570 -14.788
57 HA VAL 11 HA VAL 11 8.319 2.174 -14.632
58 HB VAL 11 HB VAL 11 9.292 4.194 -15.592
59 HG11 VAL 11 1HG1 VAL 11 8.100 5.882 -14.343
60 HG12 VAL 11 2HG1 VAL 11 8.889 5.379 -12.847
61 HG13 VAL 11 3HG1 VAL 11 9.835 6.119 -14.139
62 HG21 VAL 11 1HG2 VAL 11 11.273 3.476 -14.890
63 HG22 VAL 11 2HG2 VAL 11 11.019 4.200 -13.302
64 HG23 VAL 11 3HG2 VAL 11 10.455 2.560 -13.624
65 H ALA 12 H ALS 12 6.783 4.410 -12.433
66 HB1 ALA 12 1HB ALS 12 5.248 4.513 -10.331
67 HB2 ALA 12 2HB ALS 12 6.261 4.708 -8.900
68 HB3 ALA 12 3HB ALS 12 6.568 5.683 -10.338
69 H ASN 13 H ASN 13 5.244 2.315 -11.424
70 HA ASN 13 HA ASN 13 5.162 0.332 -9.333
71 HB2 ASN 13 2HB ASN 13 3.149 -0.394 -10.283
72 HB3 ASN 13 3HB ASN 13 3.162 1.332 -10.634
73 HD21 ASN 13 1HD2 ASN 13 3.820 1.998 -12.766
74 HD22 ASN 13 2HD2 ASN 13 3.545 0.949 -14.110
75 H SER 14 H SER 14 6.478 0.614 -12.527
76 HA SER 14 HA SER 14 6.682 -2.025 -13.329
77 HB2 SER 14 2HB SER 14 7.340 -0.329 -14.865
78 HB3 SER 14 3HB SER 14 8.545 0.314 -13.750
79 HG SER 14 HG SER 14 8.615 -2.197 -15.070
80 H HIS 15 H HIS 15 8.697 -0.221 -11.070
81 HA HIS 15 HA HIS 15 10.437 -2.521 -10.659
82 HB2 HIS 15 2HB HIS 15 10.830 0.233 -10.517
83 HB3 HIS 15 3HB HIS 15 10.850 -0.292 -8.836
84 HD1 HIS 15 HD1 HIS 15 12.673 -0.785 -12.092
85 HD2 HIS 15 HD2 HIS 15 13.104 -1.691 -8.060
86 HE1 HIS 15 HE1 HIS 15 15.020 -1.652 -11.845
87 H ASN 16 H NSS 16 8.623 -0.329 -8.501
88 HB2 ASN 16 2HB NSS 16 6.399 -2.264 -8.230
89 HB3 ASN 16 3HB NSS 16 6.967 -3.480 -7.090
90 HD21 ASN 16 1HD2 NSS 16 5.093 -0.529 -7.405
91 HD22 ASN 16 2HD2 NSS 16 4.102 -0.789 -6.014
92 H ALA 17 H ALA 17 7.381 -2.795 -4.784
93 HA ALA 17 HA ALA 17 9.757 -4.340 -4.490
94 HB1 ALA 17 1HB ALA 17 9.691 -2.641 -2.146
95 HB2 ALA 17 2HB ALA 17 11.048 -3.082 -3.184
96 HB3 ALA 17 3HB ALA 17 10.012 -1.723 -3.617
97 H GLY 18 H GLY 18 7.434 -2.725 -2.303
98 HA2 GLY 18 2HA GLY 18 5.786 -4.912 -1.843
99 HA3 GLY 18 3HA GLY 18 7.090 -5.021 -0.671
100 HA PRO 19 HA PRO 19 3.609 -2.141 0.759
101 HB2 PRO 19 2HB PRO 19 2.647 -3.712 2.754
102 HB3 PRO 19 3HB PRO 19 2.032 -3.778 1.098
103 HG2 PRO 19 2HG PRO 19 4.000 -5.575 2.461
104 HG3 PRO 19 3HG PRO 19 2.653 -6.000 1.389
105 HD2 PRO 19 2HD PRO 19 5.220 -5.903 0.534
106 HD3 PRO 19 3HD PRO 19 3.848 -5.500 -0.518
107 H ALA 20 H ALA 20 5.904 -4.216 2.455
108 HA ALA 20 HA ALA 20 6.243 -2.116 4.493
109 HB1 ALA 20 1HB ALA 20 7.260 -3.894 5.891
110 HB2 ALA 20 2HB ALA 20 5.573 -4.204 5.478
111 HB3 ALA 20 3HB ALA 20 6.860 -5.063 4.632
112 H TYR 21 H TYR 21 7.455 -2.320 1.753
113 HA TYR 21 HA TYR 21 10.283 -2.279 2.582
114 HB2 TYR 21 2HB TYR 21 9.016 -3.255 0.033
115 HB3 TYR 21 3HB TYR 21 10.708 -2.774 0.085
116 HD1 TYR 21 HD1 TYR 21 12.209 -4.500 0.311
117 HD2 TYR 21 HD2 TYR 21 8.389 -4.867 2.150
118 HE1 TYR 21 HE1 TYR 21 12.824 -6.737 1.129
119 HE2 TYR 21 HE2 TYR 21 8.994 -7.104 2.973
120 HH TYR 21 HH TYR 21 12.043 -8.238 3.147
121 H CYS 22 H CYS 22 11.430 -0.484 2.157
122 HA CYS 22 HA CYS 22 10.041 1.696 0.757
123 HB2 CYS 22 2HB CYS 22 12.297 1.779 2.770
124 HB3 CYS 22 3HB CYS 22 11.620 3.192 1.968
125 H VAL 23 H VAL 23 10.671 2.046 -1.258
126 HA VAL 23 HA VAL 23 13.530 1.802 -1.907
127 HB VAL 23 HB VAL 23 11.270 0.875 -3.684
128 HG11 VAL 23 1HG1 VAL 23 12.697 1.002 -5.378
129 HG12 VAL 23 2HG1 VAL 23 13.901 1.718 -4.305
130 HG13 VAL 23 3HG1 VAL 23 13.835 -0.032 -4.516
131 HG21 VAL 23 1HG2 VAL 23 13.336 -0.675 -2.129
132 HG22 VAL 23 2HG2 VAL 23 11.588 -0.694 -1.889
133 HG23 VAL 23 3HG2 VAL 23 12.284 -1.371 -3.361
134 H GLY 24 H GLY 24 14.282 3.695 -2.576
135 HA2 GLY 24 2HA GLY 24 12.412 5.547 -3.915
136 HA3 GLY 24 3HA GLY 24 13.787 6.055 -2.945
137 H TYR 25 H TYR 25 12.674 5.539 -6.048
138 HA TYR 25 HA TYR 25 15.175 4.821 -7.273
139 HB2 TYR 25 2HB TYR 25 12.696 4.466 -8.113
140 HB3 TYR 25 3HB TYR 25 12.937 6.059 -8.822
141 HD1 TYR 25 HD1 TYR 25 13.451 5.972 -11.061
142 HD2 TYR 25 HD2 TYR 25 15.003 2.952 -8.498
143 HE1 TYR 25 HE1 TYR 25 14.605 4.949 -12.977
144 HE2 TYR 25 HE2 TYR 25 16.163 1.920 -10.406
145 HH TYR 25 HH TYR 25 16.390 3.483 -13.482
146 H CYS 26 H CYS 26 16.812 6.192 -7.419
147 HA CYS 26 HA CYS 26 16.227 9.025 -7.985
148 HB2 CYS 26 2HB CYS 26 18.414 7.874 -6.241
149 HB3 CYS 26 3HB CYS 26 18.321 9.565 -6.726
150 H GLY 27 H GLY 27 16.866 9.551 -9.963
151 HA2 GLY 27 2HA GLY 27 18.705 7.929 -11.450
152 HA3 GLY 27 3HA GLY 27 17.956 9.424 -11.994
153 H ASN 28 H ASN 28 19.418 10.894 -12.516
154 HA ASN 28 HA ASN 28 21.849 11.095 -10.862
155 HB2 ASN 28 2HB ASN 28 22.845 12.102 -13.037
156 HB3 ASN 28 3HB ASN 28 22.666 10.354 -12.921
157 HD21 ASN 28 1HD2 ASN 28 21.393 9.312 -14.338
158 HD22 ASN 28 2HD2 ASN 28 20.490 10.084 -15.593
159 H ASN 29 H ASN 29 19.877 12.498 -9.879
160 HA ASN 29 HA ASN 29 20.093 15.220 -10.970
161 HB2 ASN 29 2HB ASN 29 18.063 14.091 -9.030
162 HB3 ASN 29 3HB ASN 29 18.064 15.726 -9.682
163 HD21 ASN 29 1HD2 ASN 29 17.561 12.356 -10.391
164 HD22 ASN 29 2HD2 ASN 29 16.714 12.590 -11.878
165 H GLY 30 H GLY 30 20.635 13.246 -8.137
166 HA2 GLY 30 2HA GLY 30 22.678 14.516 -6.986
167 HA3 GLY 30 3HA GLY 30 21.340 15.546 -6.499
168 H VAL 31 H VAL 31 22.647 14.557 -4.469
169 HA VAL 31 HA VAL 31 21.768 11.962 -3.637
170 HB VAL 31 HB VAL 31 22.951 14.167 -1.945
171 HG11 VAL 31 1HG1 VAL 31 23.764 11.884 -0.799
172 HG12 VAL 31 2HG1 VAL 31 22.275 12.714 -0.345
173 HG13 VAL 31 3HG1 VAL 31 22.219 11.346 -1.457
174 HG21 VAL 31 1HG2 VAL 31 24.776 13.870 -3.203
175 HG22 VAL 31 2HG2 VAL 31 24.932 12.316 -2.384
176 HG23 VAL 31 3HG2 VAL 31 24.132 12.409 -3.952
177 H VAL 32 H VAL 32 20.724 15.272 -3.073
178 HA VAL 32 HA VAL 32 19.004 14.917 -0.930
179 HB VAL 32 HB VAL 32 18.526 16.746 -3.286
180 HG11 VAL 32 1HG1 VAL 32 16.571 16.727 -1.987
181 HG12 VAL 32 2HG1 VAL 32 17.475 16.680 -0.473
182 HG13 VAL 32 3HG1 VAL 32 17.459 18.151 -1.446
183 HG21 VAL 32 1HG2 VAL 32 19.626 18.373 -1.512
184 HG22 VAL 32 2HG2 VAL 32 20.411 16.882 -0.992
185 HG23 VAL 32 3HG2 VAL 32 20.605 17.448 -2.651
186 H THR 33 H THR 33 18.188 14.771 -4.398
187 HA THR 33 HA THR 33 15.512 14.089 -4.150
188 HB THR 33 HB THR 33 16.976 12.753 -6.350
189 HG1 THR 33 HG1 THR 33 18.037 14.476 -6.947
190 HG21 THR 33 1HG2 THR 33 15.212 14.153 -7.620
191 HG22 THR 33 2HG2 THR 33 14.527 14.454 -6.024
192 HG23 THR 33 3HG2 THR 33 14.661 12.803 -6.629
193 H ARG 34 H RSS 34 18.343 11.950 -4.333
194 HB2 ARG 34 2HB RSS 34 19.453 9.605 -4.646
195 HB3 ARG 34 3HB RSS 34 19.659 10.336 -3.060
196 HG2 ARG 34 2HG RSS 34 18.345 7.711 -3.056
197 HG3 ARG 34 3HG RSS 34 20.025 7.716 -3.598
198 HD2 ARG 34 2HD RSS 34 20.155 9.324 -1.407
199 HD3 ARG 34 3HD RSS 34 18.894 8.188 -0.931
200 HE ARG 34 HE RSS 34 20.480 6.542 -0.774
201 HH11 ARG 34 1HH2 RSS 34 22.600 5.701 -0.788
202 HH12 ARG 34 2HH2 RSS 34 23.868 6.600 -1.550
203 HH21 ARG 34 1HH1 RSS 34 21.802 9.250 -2.518
204 HH22 ARG 34 2HH1 RSS 34 23.416 8.619 -2.533
205 H ASN 35 H ASN 35 17.477 11.718 -1.723
206 HA ASN 35 HA ASN 35 16.654 9.806 0.277
207 HB2 ASN 35 2HB ASN 35 17.148 12.785 0.375
208 HB3 ASN 35 3HB ASN 35 16.638 11.843 1.773
209 HD21 ASN 35 1HD2 ASN 35 19.230 13.142 0.287
210 HD22 ASN 35 2HD2 ASN 35 20.474 12.106 0.891
211 H ALA 36 H ALA 36 15.240 12.626 -1.342
212 HA ALA 36 HA ALA 36 12.819 12.750 0.009
213 HB1 ALA 36 1HB ALA 36 12.946 13.267 -2.933
214 HB2 ALA 36 2HB ALA 36 12.074 14.147 -1.677
215 HB3 ALA 36 3HB ALA 36 13.826 14.302 -1.808
216 H ASN 37 H ASN 37 13.780 10.718 -2.714
217 HA ASN 37 HA ASN 37 11.228 9.649 -3.269
218 HB2 ASN 37 2HB ASN 37 14.029 8.686 -3.821
219 HB3 ASN 37 3HB ASN 37 12.619 7.743 -4.295
220 HD21 ASN 37 1HD2 ASN 37 11.644 8.210 -6.150
221 HD22 ASN 37 2HD2 ASN 37 11.978 9.591 -7.133
222 H ALA 38 H ALA 38 13.976 8.110 -1.587
223 HA ALA 38 HA ALA 38 12.610 5.872 -0.664
224 HB1 ALA 38 1HB ALA 38 15.002 7.322 0.441
225 HB2 ALA 38 2HB ALA 38 14.403 5.807 1.117
226 HB3 ALA 38 3HB ALA 38 14.971 5.865 -0.552
227 H ASN 39 H ASN 39 12.587 9.140 0.498
228 HA ASN 39 HA ASN 39 11.615 8.607 3.115
229 HB2 ASN 39 2HB ASN 39 12.655 10.725 2.705
230 HB3 ASN 39 3HB ASN 39 11.542 11.084 1.388
231 HD21 ASN 39 1HD2 ASN 39 9.918 12.369 1.853
232 HD22 ASN 39 2HD2 ASN 39 9.268 12.660 3.427
233 H VAL 40 H VAL 40 10.114 8.983 -0.011
234 HA VAL 40 HA VAL 40 7.445 9.280 1.013
235 HB VAL 40 HB VAL 40 8.341 8.549 -1.779
236 HG11 VAL 40 1HG1 VAL 40 5.702 9.171 -0.554
237 HG12 VAL 40 2HG1 VAL 40 6.021 9.724 -2.199
238 HG13 VAL 40 3HG1 VAL 40 6.118 8.006 -1.810
239 HG21 VAL 40 1HG2 VAL 40 9.088 10.642 -1.909
240 HG22 VAL 40 2HG2 VAL 40 7.417 11.177 -1.738
241 HG23 VAL 40 3HG2 VAL 40 8.447 11.036 -0.314
242 H ALA 41 H ALA 41 9.470 6.638 -0.086
243 HA ALA 41 HA ALA 41 7.309 4.721 -0.072
244 HB1 ALA 41 1HB ALA 41 8.827 3.181 -0.903
245 HB2 ALA 41 2HB ALA 41 9.440 4.706 -1.543
246 HB3 ALA 41 3HB ALA 41 10.204 3.970 -0.134
247 H LYS 42 H KSS 42 10.257 5.241 1.863
248 HB2 LYS 42 2HB KSS 42 11.420 4.408 5.131
249 HB3 LYS 42 3HB KSS 42 11.902 4.755 3.476
250 HG2 LYS 42 2HG KSS 42 11.987 6.863 4.265
251 HG3 LYS 42 3HG KSS 42 10.263 6.827 3.888
252 HD2 LYS 42 2HD KSS 42 9.878 7.345 6.020
253 HD3 LYS 42 3HD KSS 42 10.463 5.735 6.446
254 HE2 LYS 42 2HE KSS 42 12.733 6.610 6.649
255 HE3 LYS 42 3HE KSS 42 12.164 8.215 6.194
256 HZ1 LYS 42 1HZ KSS 42 10.920 6.875 8.488
257 HZ2 LYS 42 2HZ KSS 42 11.148 8.526 8.201
258 HZ3 LYS 42 3HZ KSS 42 12.452 7.564 8.687
259 H THR 43 H THR 43 8.279 6.292 3.457
260 HA THR 43 HA THR 43 7.078 6.086 6.088
261 HB THR 43 HB THR 43 6.581 8.069 3.859
262 HG1 THR 43 HG1 THR 43 8.262 9.060 4.662
263 HG21 THR 43 1HG2 THR 43 5.617 8.008 6.719
264 HG22 THR 43 2HG2 THR 43 4.628 7.950 5.259
265 HG23 THR 43 3HG2 THR 43 5.515 9.419 5.666
266 H ALA 44 H ALA 44 6.148 5.657 2.715
267 HA ALA 44 HA ALA 44 3.406 5.443 2.940
268 HB1 ALA 44 1HB ALA 44 4.336 3.429 1.137
269 HB2 ALA 44 2HB ALA 44 3.598 4.990 0.777
270 HB3 ALA 44 3HB ALA 44 5.345 4.867 0.982
Start of MODEL 13
1 H1 TRP 1 H TRP 1 0.977 0.245 0.962
2 HA TRP 1 HA TRP 1 2.918 -1.155 -0.752
3 HB2 TRP 1 2HB TRP 1 0.438 0.233 -1.319
4 HB3 TRP 1 3HB TRP 1 1.773 0.923 -2.239
5 HD1 TRP 1 HD1 TRP 1 1.269 -2.823 -1.406
6 HE1 TRP 1 HE1 TRP 1 1.127 -4.119 -3.625
7 HE3 TRP 1 HE3 TRP 1 1.404 1.119 -4.659
8 HZ2 TRP 1 HZ2 TRP 1 1.080 -3.547 -6.389
9 HZ3 TRP 1 HZ3 TRP 1 1.307 0.658 -7.075
10 HH2 TRP 1 HH2 TRP 1 1.148 -1.627 -7.919
11 H GLY 2 H GLY 2 4.626 0.017 -1.698
12 HA2 GLY 2 2HA GLY 2 5.036 2.794 -1.038
13 HA3 GLY 2 3HA GLY 2 6.080 1.701 -0.142
14 H CYS 3 H CYS 3 5.286 2.984 -3.293
15 HA CYS 3 HA CYS 3 7.976 2.322 -4.201
16 HB2 CYS 3 2HB CYS 3 5.669 0.882 -5.062
17 HB3 CYS 3 3HB CYS 3 6.244 1.852 -6.415
18 H VAL 4 H VAL 4 8.813 4.191 -4.825
19 HA VAL 4 HA VAL 4 7.087 6.096 -6.270
20 HB VAL 4 HB VAL 4 7.709 6.903 -4.008
21 HG11 VAL 4 1HG1 VAL 4 10.258 5.911 -4.752
22 HG12 VAL 4 2HG1 VAL 4 10.407 7.651 -4.495
23 HG13 VAL 4 3HG1 VAL 4 9.762 6.621 -3.216
24 HG21 VAL 4 1HG2 VAL 4 9.191 8.638 -5.923
25 HG22 VAL 4 2HG2 VAL 4 7.477 8.332 -6.202
26 HG23 VAL 4 3HG2 VAL 4 8.006 9.074 -4.692
27 H CYS 5 H CYS 5 8.029 7.286 -7.961
28 HA CYS 5 HA CYS 5 10.711 6.471 -8.819
29 HB2 CYS 5 2HB CYS 5 8.333 6.513 -10.685
30 HB3 CYS 5 3HB CYS 5 9.980 6.034 -11.080
31 H SER 6 H SER 6 11.797 7.973 -10.112
32 HA SER 6 HA SER 6 10.774 10.690 -9.870
33 HB2 SER 6 2HB SER 6 13.159 11.178 -10.830
34 HB3 SER 6 3HB SER 6 12.991 10.638 -9.160
35 HG SER 6 HG SER 6 14.125 9.368 -11.322
36 H GLY 7 H GLY 7 9.228 9.471 -11.651
37 HA2 GLY 7 2HA GLY 7 9.753 10.942 -14.064
38 HA3 GLY 7 3HA GLY 7 9.907 9.205 -14.282
39 H SER 8 H SER 8 8.121 8.037 -14.652
40 HA SER 8 HA SER 8 5.541 9.438 -14.446
41 HB2 SER 8 2HB SER 8 6.543 7.312 -16.331
42 HB3 SER 8 3HB SER 8 4.818 7.618 -16.126
43 HG SER 8 HG SER 8 5.596 8.863 -17.825
44 H THR 9 H THR 9 3.656 7.765 -14.301
45 HA THR 9 HA THR 9 4.024 6.364 -11.816
46 HB THR 9 HB THR 9 1.596 6.509 -13.614
47 HG1 THR 9 HG1 THR 9 1.850 8.524 -12.837
48 HG21 THR 9 1HG2 THR 9 0.396 5.872 -11.490
49 HG22 THR 9 2HG2 THR 9 1.972 5.471 -10.809
50 HG23 THR 9 3HG2 THR 9 1.370 4.594 -12.214
51 H ALA 10 H ALA 10 3.862 5.532 -15.190
52 HA ALA 10 HA ALA 10 3.272 2.781 -14.913
53 HB1 ALA 10 1HB ALA 10 4.849 3.090 -17.211
54 HB2 ALA 10 2HB ALA 10 3.089 3.044 -17.108
55 HB3 ALA 10 3HB ALA 10 3.936 4.589 -17.038
56 H VAL 11 H VAL 11 6.259 4.619 -14.791
57 HA VAL 11 HA VAL 11 7.922 2.253 -14.763
58 HB VAL 11 HB VAL 11 8.784 4.287 -15.794
59 HG11 VAL 11 1HG1 VAL 11 9.409 6.218 -14.360
60 HG12 VAL 11 2HG1 VAL 11 7.666 5.970 -14.490
61 HG13 VAL 11 3HG1 VAL 11 8.524 5.469 -13.032
62 HG21 VAL 11 1HG2 VAL 11 10.120 2.667 -13.949
63 HG22 VAL 11 2HG2 VAL 11 10.838 3.648 -15.227
64 HG23 VAL 11 3HG2 VAL 11 10.653 4.313 -13.604
65 H ALA 12 H ALS 12 6.476 4.436 -12.462
66 HB1 ALA 12 1HB ALS 12 6.217 4.738 -8.898
67 HB2 ALA 12 2HB ALS 12 6.432 5.727 -10.343
68 HB3 ALA 12 3HB ALS 12 5.118 4.554 -10.265
69 H ASN 13 H ASN 13 5.044 2.352 -11.335
70 HA ASN 13 HA ASN 13 5.101 0.382 -9.242
71 HB2 ASN 13 2HB ASN 13 3.072 -0.418 -10.131
72 HB3 ASN 13 3HB ASN 13 3.022 1.318 -10.426
73 HD21 ASN 13 1HD2 ASN 13 3.610 2.061 -12.567
74 HD22 ASN 13 2HD2 ASN 13 3.284 1.050 -13.930
75 H SER 14 H SER 14 6.277 0.642 -12.492
76 HA SER 14 HA SER 14 6.490 -2.010 -13.259
77 HB2 SER 14 2HB SER 14 7.021 -0.161 -14.768
78 HB3 SER 14 3HB SER 14 8.434 0.250 -13.796
79 HG SER 14 HG SER 14 8.200 -1.577 -15.754
80 H HIS 15 H HIS 15 8.375 -0.202 -10.951
81 HA HIS 15 HA HIS 15 10.275 -2.409 -10.657
82 HB2 HIS 15 2HB HIS 15 10.599 0.338 -10.544
83 HB3 HIS 15 3HB HIS 15 10.619 -0.141 -8.849
84 HD1 HIS 15 HD1 HIS 15 12.746 -1.127 -7.980
85 HD2 HIS 15 HD2 HIS 15 12.640 -0.999 -12.131
86 HE1 HIS 15 HE1 HIS 15 15.047 -1.806 -8.733
87 H ASN 16 H NSS 16 8.444 -0.295 -8.437
88 HB2 ASN 16 2HB NSS 16 6.296 -2.306 -8.119
89 HB3 ASN 16 3HB NSS 16 6.936 -3.510 -7.004
90 HD21 ASN 16 1HD2 NSS 16 5.091 -0.502 -7.123
91 HD22 ASN 16 2HD2 NSS 16 4.095 -0.852 -5.755
92 H ALA 17 H ALA 17 7.390 -2.826 -4.705
93 HA ALA 17 HA ALA 17 9.790 -4.323 -4.484
94 HB1 ALA 17 1HB ALA 17 9.740 -1.657 -3.274
95 HB2 ALA 17 2HB ALA 17 10.216 -2.949 -2.172
96 HB3 ALA 17 3HB ALA 17 11.105 -2.699 -3.674
97 H GLY 18 H GLY 18 7.222 -2.759 -2.576
98 HA2 GLY 18 2HA GLY 18 5.734 -4.900 -1.883
99 HA3 GLY 18 3HA GLY 18 7.079 -5.005 -0.756
100 HA PRO 19 HA PRO 19 3.669 -2.154 0.838
101 HB2 PRO 19 2HB PRO 19 2.945 -3.670 2.970
102 HB3 PRO 19 3HB PRO 19 2.197 -3.834 1.377
103 HG2 PRO 19 2HG PRO 19 4.347 -5.491 2.640
104 HG3 PRO 19 3HG PRO 19 2.935 -6.015 1.705
105 HD2 PRO 19 2HD PRO 19 5.415 -5.856 0.630
106 HD3 PRO 19 3HD PRO 19 3.943 -5.555 -0.316
107 H ALA 20 H ALA 20 5.983 -4.171 2.635
108 HA ALA 20 HA ALA 20 6.476 -1.925 4.461
109 HB1 ALA 20 1HB ALA 20 7.508 -4.726 4.803
110 HB2 ALA 20 2HB ALA 20 7.323 -3.465 6.023
111 HB3 ALA 20 3HB ALA 20 5.897 -4.241 5.334
112 H TYR 21 H TYR 21 7.510 -2.237 1.660
113 HA TYR 21 HA TYR 21 10.389 -2.141 2.284
114 HB2 TYR 21 2HB TYR 21 8.983 -3.040 -0.232
115 HB3 TYR 21 3HB TYR 21 10.711 -2.711 -0.161
116 HD1 TYR 21 HD1 TYR 21 8.112 -4.721 1.622
117 HD2 TYR 21 HD2 TYR 21 12.140 -4.472 0.277
118 HE1 TYR 21 HE1 TYR 21 8.510 -7.017 2.409
119 HE2 TYR 21 HE2 TYR 21 12.549 -6.768 1.058
120 HH TYR 21 HH TYR 21 11.724 -8.491 2.223
121 H CYS 22 H CYS 22 11.543 -0.388 1.653
122 HA CYS 22 HA CYS 22 10.044 1.769 0.318
123 HB2 CYS 22 2HB CYS 22 12.354 1.998 2.259
124 HB3 CYS 22 3HB CYS 22 11.510 3.346 1.503
125 H VAL 23 H VAL 23 10.722 2.347 -1.631
126 HA VAL 23 HA VAL 23 13.556 2.027 -2.321
127 HB VAL 23 HB VAL 23 11.268 1.125 -4.076
128 HG11 VAL 23 1HG1 VAL 23 13.488 0.204 -5.288
129 HG12 VAL 23 2HG1 VAL 23 12.721 1.741 -5.692
130 HG13 VAL 23 3HG1 VAL 23 14.110 1.707 -4.606
131 HG21 VAL 23 1HG2 VAL 23 13.414 -0.421 -2.629
132 HG22 VAL 23 2HG2 VAL 23 11.676 -0.483 -2.335
133 HG23 VAL 23 3HG2 VAL 23 12.338 -1.107 -3.845
134 H GLY 24 H GLY 24 14.277 3.981 -2.843
135 HA2 GLY 24 2HA GLY 24 12.423 5.862 -4.153
136 HA3 GLY 24 3HA GLY 24 13.831 6.326 -3.209
137 H TYR 25 H TYR 25 12.651 6.100 -6.267
138 HA TYR 25 HA TYR 25 15.033 5.242 -7.630
139 HB2 TYR 25 2HB TYR 25 12.416 5.381 -8.356
140 HB3 TYR 25 3HB TYR 25 13.048 6.828 -9.133
141 HD1 TYR 25 HD1 TYR 25 14.203 6.673 -11.163
142 HD2 TYR 25 HD2 TYR 25 13.591 3.160 -8.841
143 HE1 TYR 25 HE1 TYR 25 15.066 5.305 -13.016
144 HE2 TYR 25 HE2 TYR 25 14.454 1.783 -10.687
145 HH TYR 25 HH TYR 25 15.653 1.873 -12.648
146 H CYS 26 H CYS 26 16.796 6.474 -7.509
147 HA CYS 26 HA CYS 26 16.496 9.368 -7.981
148 HB2 CYS 26 2HB CYS 26 18.538 7.974 -6.236
149 HB3 CYS 26 3HB CYS 26 18.512 9.700 -6.583
150 H GLY 27 H GLY 27 17.084 9.681 -10.039
151 HA2 GLY 27 2HA GLY 27 18.970 8.042 -11.410
152 HA3 GLY 27 3HA GLY 27 18.280 9.547 -12.001
153 H ASN 28 H ASN 28 20.156 10.414 -12.807
154 HA ASN 28 HA ASN 28 22.445 10.698 -11.015
155 HB2 ASN 28 2HB ASN 28 22.610 9.971 -13.481
156 HB3 ASN 28 3HB ASN 28 22.316 11.665 -13.864
157 HD21 ASN 28 1HD2 ASN 28 24.117 12.669 -14.341
158 HD22 ASN 28 2HD2 ASN 28 25.650 12.441 -13.577
159 H ASN 29 H ASN 29 20.466 12.145 -9.997
160 HA ASN 29 HA ASN 29 20.768 14.896 -10.961
161 HB2 ASN 29 2HB ASN 29 18.861 13.757 -8.904
162 HB3 ASN 29 3HB ASN 29 18.864 15.417 -9.495
163 HD21 ASN 29 1HD2 ASN 29 17.550 12.392 -9.870
164 HD22 ASN 29 2HD2 ASN 29 16.850 12.592 -11.437
165 H GLY 30 H GLY 30 20.587 13.298 -7.769
166 HA2 GLY 30 2HA GLY 30 23.068 14.314 -6.865
167 HA3 GLY 30 3HA GLY 30 21.769 15.360 -6.312
168 H VAL 31 H VAL 31 22.515 14.719 -4.165
169 HA VAL 31 HA VAL 31 21.883 11.982 -3.372
170 HB VAL 31 HB VAL 31 22.990 14.224 -1.678
171 HG11 VAL 31 1HG1 VAL 31 23.668 11.545 -0.867
172 HG12 VAL 31 2HG1 VAL 31 22.876 12.829 0.050
173 HG13 VAL 31 3HG1 VAL 31 21.919 11.745 -0.961
174 HG21 VAL 31 1HG2 VAL 31 24.343 12.131 -3.351
175 HG22 VAL 31 2HG2 VAL 31 24.628 13.871 -3.314
176 HG23 VAL 31 3HG2 VAL 31 25.143 12.864 -1.961
177 H VAL 32 H VAL 32 20.836 15.298 -2.766
178 HA VAL 32 HA VAL 32 19.042 14.889 -0.698
179 HB VAL 32 HB VAL 32 18.745 16.808 -3.012
180 HG11 VAL 32 1HG1 VAL 32 17.244 16.429 -0.478
181 HG12 VAL 32 2HG1 VAL 32 17.550 18.081 -1.018
182 HG13 VAL 32 3HG1 VAL 32 16.677 16.958 -2.062
183 HG21 VAL 32 1HG2 VAL 32 19.968 18.376 -1.773
184 HG22 VAL 32 2HG2 VAL 32 19.840 17.435 -0.287
185 HG23 VAL 32 3HG2 VAL 32 20.877 16.874 -1.599
186 H THR 33 H THR 33 18.392 14.774 -4.198
187 HA THR 33 HA THR 33 15.685 14.147 -4.072
188 HB THR 33 HB THR 33 17.120 12.784 -6.242
189 HG1 THR 33 HG1 THR 33 18.485 14.352 -6.603
190 HG21 THR 33 1HG2 THR 33 14.722 13.241 -6.311
191 HG22 THR 33 2HG2 THR 33 15.555 14.093 -7.611
192 HG23 THR 33 3HG2 THR 33 15.036 14.970 -6.172
193 H ARG 34 H RSS 34 18.490 11.967 -4.194
194 HB2 ARG 34 2HB RSS 34 19.569 9.608 -4.512
195 HB3 ARG 34 3HB RSS 34 19.741 10.312 -2.910
196 HG2 ARG 34 2HG RSS 34 18.392 7.700 -3.008
197 HG3 ARG 34 3HG RSS 34 20.097 7.703 -3.461
198 HD2 ARG 34 2HD RSS 34 20.198 9.239 -1.256
199 HD3 ARG 34 3HD RSS 34 18.819 8.218 -0.849
200 HE ARG 34 HE RSS 34 20.912 6.597 -1.781
201 HH11 ARG 34 1HH2 RSS 34 22.185 5.402 -0.313
202 HH12 ARG 34 2HH2 RSS 34 22.244 5.881 1.350
203 HH21 ARG 34 1HH1 RSS 34 20.084 8.601 0.943
204 HH22 ARG 34 2HH1 RSS 34 21.049 7.699 2.065
205 H ASN 35 H ASN 35 17.544 11.709 -1.614
206 HA ASN 35 HA ASN 35 16.620 9.776 0.325
207 HB2 ASN 35 2HB ASN 35 17.177 12.742 0.506
208 HB3 ASN 35 3HB ASN 35 16.625 11.770 1.868
209 HD21 ASN 35 1HD2 ASN 35 19.268 13.049 0.435
210 HD22 ASN 35 2HD2 ASN 35 20.482 11.981 1.045
211 H ALA 36 H ALA 36 15.319 12.587 -1.376
212 HA ALA 36 HA ALA 36 12.873 12.816 -0.068
213 HB1 ALA 36 1HB ALA 36 12.336 14.322 -1.666
214 HB2 ALA 36 2HB ALA 36 14.052 14.179 -2.051
215 HB3 ALA 36 3HB ALA 36 12.860 13.275 -2.985
216 H ASN 37 H ASN 37 13.704 10.890 -2.943
217 HA ASN 37 HA ASN 37 11.158 9.816 -3.394
218 HB2 ASN 37 2HB ASN 37 13.915 8.766 -4.038
219 HB3 ASN 37 3HB ASN 37 12.439 7.965 -4.570
220 HD21 ASN 37 1HD2 ASN 37 11.792 8.472 -6.523
221 HD22 ASN 37 2HD2 ASN 37 12.117 9.951 -7.356
222 H ALA 38 H ALA 38 13.943 8.275 -1.780
223 HA ALA 38 HA ALA 38 12.601 5.995 -0.896
224 HB1 ALA 38 1HB ALA 38 14.938 5.922 -0.811
225 HB2 ALA 38 2HB ALA 38 15.041 7.422 0.111
226 HB3 ALA 38 3HB ALA 38 14.439 5.954 0.881
227 H ASN 39 H ASN 39 12.574 9.237 0.318
228 HA ASN 39 HA ASN 39 11.672 8.642 2.952
229 HB2 ASN 39 2HB ASN 39 11.944 11.081 1.275
230 HB3 ASN 39 3HB ASN 39 10.811 11.161 2.621
231 HD21 ASN 39 1HD2 ASN 39 12.692 12.862 2.913
232 HD22 ASN 39 2HD2 ASN 39 13.933 12.347 3.998
233 H VAL 40 H VAL 40 10.092 9.193 -0.125
234 HA VAL 40 HA VAL 40 7.452 9.407 0.982
235 HB VAL 40 HB VAL 40 8.320 8.888 -1.865
236 HG11 VAL 40 1HG1 VAL 40 6.079 8.155 -1.664
237 HG12 VAL 40 2HG1 VAL 40 5.639 9.541 -0.664
238 HG13 VAL 40 3HG1 VAL 40 6.008 9.768 -2.374
239 HG21 VAL 40 1HG2 VAL 40 7.320 11.480 -0.724
240 HG22 VAL 40 2HG2 VAL 40 9.033 11.061 -0.728
241 HG23 VAL 40 3HG2 VAL 40 8.155 11.198 -2.252
242 H ALA 41 H ALA 41 9.486 6.839 -0.217
243 HA ALA 41 HA ALA 41 7.326 4.913 -0.319
244 HB1 ALA 41 1HB ALA 41 9.585 5.051 -1.714
245 HB2 ALA 41 2HB ALA 41 10.154 4.027 -0.395
246 HB3 ALA 41 3HB ALA 41 8.778 3.520 -1.375
247 H LYS 42 H KSS 42 10.283 5.350 1.622
248 HB2 LYS 42 2HB KSS 42 11.481 4.350 4.827
249 HB3 LYS 42 3HB KSS 42 11.937 4.815 3.193
250 HG2 LYS 42 2HG KSS 42 12.000 6.865 4.128
251 HG3 LYS 42 3HG KSS 42 10.275 6.829 3.758
252 HD2 LYS 42 2HD KSS 42 9.707 6.815 5.924
253 HD3 LYS 42 3HD KSS 42 10.922 5.598 6.321
254 HE2 LYS 42 2HE KSS 42 11.810 7.335 7.479
255 HE3 LYS 42 3HE KSS 42 12.539 7.680 5.912
256 HZ1 LYS 42 1HZ KSS 42 10.556 9.163 7.380
257 HZ2 LYS 42 2HZ KSS 42 10.162 8.944 5.750
258 HZ3 LYS 42 3HZ KSS 42 11.623 9.684 6.175
259 H THR 43 H THR 43 8.338 6.327 3.313
260 HA THR 43 HA THR 43 7.133 5.940 5.921
261 HB THR 43 HB THR 43 6.612 8.073 3.840
262 HG1 THR 43 HG1 THR 43 8.659 8.369 4.623
263 HG21 THR 43 1HG2 THR 43 5.590 7.632 6.623
264 HG22 THR 43 2HG2 THR 43 4.704 8.097 5.170
265 HG23 THR 43 3HG2 THR 43 5.751 9.265 5.977
266 H ALA 44 H ALA 44 6.235 5.678 2.532
267 HA ALA 44 HA ALA 44 3.450 5.344 2.944
268 HB1 ALA 44 1HB ALA 44 5.292 4.706 0.664
269 HB2 ALA 44 2HB ALA 44 3.579 4.285 0.617
270 HB3 ALA 44 3HB ALA 44 4.068 5.971 0.780
Start of MODEL 14
1 H1 TRP 1 H TRP 1 2.578 0.247 1.592
2 HA TRP 1 HA TRP 1 3.699 -1.103 -0.467
3 HB2 TRP 1 2HB TRP 1 0.929 -0.482 -1.088
4 HB3 TRP 1 3HB TRP 1 2.032 0.224 -2.266
5 HD1 TRP 1 HD1 TRP 1 2.388 -3.219 -0.527
6 HE1 TRP 1 HE1 TRP 1 2.482 -5.026 -2.357
7 HE3 TRP 1 HE3 TRP 1 1.602 -0.265 -4.626
8 HZ2 TRP 1 HZ2 TRP 1 2.254 -5.179 -5.167
9 HZ3 TRP 1 HZ3 TRP 1 1.555 -1.321 -6.848
10 HH2 TRP 1 HH2 TRP 1 1.875 -3.727 -7.111
11 H GLY 2 H GLY 2 5.422 0.128 -0.804
12 HA2 GLY 2 2HA GLY 2 5.018 3.034 -1.129
13 HA3 GLY 2 3HA GLY 2 6.306 2.405 -0.113
14 H CYS 3 H CYS 3 5.337 3.214 -3.290
15 HA CYS 3 HA CYS 3 8.027 2.609 -4.255
16 HB2 CYS 3 2HB CYS 3 5.808 1.022 -4.935
17 HB3 CYS 3 3HB CYS 3 6.115 2.037 -6.341
18 H VAL 4 H VAL 4 8.812 4.458 -4.995
19 HA VAL 4 HA VAL 4 7.005 6.272 -6.456
20 HB VAL 4 HB VAL 4 7.615 7.186 -4.237
21 HG11 VAL 4 1HG1 VAL 4 9.780 6.195 -3.919
22 HG12 VAL 4 2HG1 VAL 4 10.422 7.038 -5.330
23 HG13 VAL 4 3HG1 VAL 4 9.954 7.949 -3.893
24 HG21 VAL 4 1HG2 VAL 4 9.017 8.826 -6.315
25 HG22 VAL 4 2HG2 VAL 4 7.276 8.557 -6.400
26 HG23 VAL 4 3HG2 VAL 4 7.977 9.356 -4.992
27 H CYS 5 H CYS 5 7.877 7.404 -8.213
28 HA CYS 5 HA CYS 5 10.580 6.650 -9.067
29 HB2 CYS 5 2HB CYS 5 8.202 6.575 -10.929
30 HB3 CYS 5 3HB CYS 5 9.853 6.079 -11.285
31 H SER 6 H SER 6 11.653 8.177 -10.280
32 HA SER 6 HA SER 6 10.505 10.848 -10.199
33 HB2 SER 6 2HB SER 6 12.814 10.483 -9.394
34 HB3 SER 6 3HB SER 6 13.283 9.952 -11.010
35 HG SER 6 HG SER 6 13.316 11.960 -11.663
36 H GLY 7 H GLY 7 8.973 9.776 -11.939
37 HA2 GLY 7 2HA GLY 7 9.563 11.081 -14.398
38 HA3 GLY 7 3HA GLY 7 9.759 9.342 -14.557
39 H SER 8 H SER 8 7.968 8.017 -14.573
40 HA SER 8 HA SER 8 5.364 9.398 -14.571
41 HB2 SER 8 2HB SER 8 6.621 7.980 -16.685
42 HB3 SER 8 3HB SER 8 5.257 7.003 -16.141
43 HG SER 8 HG SER 8 3.886 8.669 -16.579
44 H THR 9 H THR 9 3.525 7.688 -14.398
45 HA THR 9 HA THR 9 3.925 6.323 -11.900
46 HB THR 9 HB THR 9 1.496 5.581 -12.328
47 HG1 THR 9 HG1 THR 9 0.638 6.173 -14.165
48 HG21 THR 9 1HG2 THR 9 1.175 8.418 -12.303
49 HG22 THR 9 2HG2 THR 9 2.627 8.002 -11.392
50 HG23 THR 9 3HG2 THR 9 1.077 7.284 -10.956
51 H ALA 10 H ALA 10 3.604 5.422 -15.273
52 HA ALA 10 HA ALA 10 3.130 2.681 -14.975
53 HB1 ALA 10 1HB ALA 10 4.722 2.950 -17.252
54 HB2 ALA 10 2HB ALA 10 2.960 2.956 -17.172
55 HB3 ALA 10 3HB ALA 10 3.851 4.477 -17.107
56 H VAL 11 H VAL 11 6.135 4.528 -14.959
57 HA VAL 11 HA VAL 11 7.788 2.168 -14.812
58 HB VAL 11 HB VAL 11 8.685 4.119 -15.926
59 HG11 VAL 11 1HG1 VAL 11 7.528 5.893 -14.821
60 HG12 VAL 11 2HG1 VAL 11 8.281 5.496 -13.276
61 HG13 VAL 11 3HG1 VAL 11 9.256 6.154 -14.591
62 HG21 VAL 11 1HG2 VAL 11 10.002 2.619 -14.029
63 HG22 VAL 11 2HG2 VAL 11 10.759 3.666 -15.229
64 HG23 VAL 11 3HG2 VAL 11 10.435 4.275 -13.606
65 H ALA 12 H ALS 12 6.338 4.432 -12.597
66 HB1 ALA 12 1HB ALS 12 6.303 5.809 -10.520
67 HB2 ALA 12 2HB ALS 12 4.985 4.641 -10.417
68 HB3 ALA 12 3HB ALS 12 6.073 4.867 -9.047
69 H ASN 13 H ASN 13 4.923 2.385 -11.397
70 HA ASN 13 HA ASN 13 5.004 0.492 -9.228
71 HB2 ASN 13 2HB ASN 13 2.945 -0.291 -10.012
72 HB3 ASN 13 3HB ASN 13 2.917 1.412 -10.461
73 HD21 ASN 13 1HD2 ASN 13 3.366 1.971 -12.654
74 HD22 ASN 13 2HD2 ASN 13 3.052 0.839 -13.921
75 H SER 14 H SER 14 6.126 0.648 -12.503
76 HA SER 14 HA SER 14 6.316 -2.012 -13.216
77 HB2 SER 14 2HB SER 14 6.883 -0.204 -14.756
78 HB3 SER 14 3HB SER 14 8.294 0.211 -13.782
79 HG SER 14 HG SER 14 7.914 -1.872 -15.568
80 H HIS 15 H HIS 15 8.406 -0.131 -11.098
81 HA HIS 15 HA HIS 15 10.170 -2.419 -10.691
82 HB2 HIS 15 2HB HIS 15 10.357 0.479 -10.296
83 HB3 HIS 15 3HB HIS 15 11.033 -0.455 -8.965
84 HD1 HIS 15 HD1 HIS 15 13.121 -1.907 -9.476
85 HD2 HIS 15 HD2 HIS 15 11.784 0.361 -12.690
86 HE1 HIS 15 HE1 HIS 15 14.981 -1.975 -11.167
87 H ASN 16 H NSS 16 8.463 -0.120 -8.556
88 HB2 ASN 16 2HB NSS 16 6.264 -2.043 -8.079
89 HB3 ASN 16 3HB NSS 16 6.892 -3.199 -6.908
90 HD21 ASN 16 1HD2 NSS 16 4.987 -0.276 -7.285
91 HD22 ASN 16 2HD2 NSS 16 4.067 -0.465 -5.835
92 H ALA 17 H ALA 17 7.414 -2.396 -4.663
93 HA ALA 17 HA ALA 17 9.885 -3.839 -4.416
94 HB1 ALA 17 1HB ALA 17 11.084 -2.426 -3.197
95 HB2 ALA 17 2HB ALA 17 9.837 -1.200 -3.436
96 HB3 ALA 17 3HB ALA 17 9.770 -2.265 -2.032
97 H GLY 18 H GLY 18 7.525 -2.417 -2.140
98 HA2 GLY 18 2HA GLY 18 5.882 -4.560 -1.722
99 HA3 GLY 18 3HA GLY 18 7.280 -4.899 -0.714
100 HA PRO 19 HA PRO 19 4.149 -2.076 1.443
101 HB2 PRO 19 2HB PRO 19 3.313 -3.851 3.318
102 HB3 PRO 19 3HB PRO 19 2.526 -3.673 1.745
103 HG2 PRO 19 2HG PRO 19 4.520 -5.717 2.645
104 HG3 PRO 19 3HG PRO 19 3.046 -5.939 1.684
105 HD2 PRO 19 2HD PRO 19 5.512 -5.841 0.569
106 HD3 PRO 19 3HD PRO 19 4.062 -5.245 -0.265
107 H ALA 20 H ALA 20 6.620 -4.336 2.461
108 HA ALA 20 HA ALA 20 7.185 -2.650 4.809
109 HB1 ALA 20 1HB ALA 20 6.860 -4.757 5.681
110 HB2 ALA 20 2HB ALA 20 7.568 -5.563 4.280
111 HB3 ALA 20 3HB ALA 20 8.608 -4.740 5.443
112 H TYR 21 H TYR 21 8.009 -2.258 1.949
113 HA TYR 21 HA TYR 21 10.887 -1.999 2.474
114 HB2 TYR 21 2HB TYR 21 9.678 -2.944 -0.134
115 HB3 TYR 21 3HB TYR 21 11.386 -2.630 0.150
116 HD1 TYR 21 HD1 TYR 21 8.590 -4.905 0.843
117 HD2 TYR 21 HD2 TYR 21 12.747 -4.189 1.396
118 HE1 TYR 21 HE1 TYR 21 8.885 -7.230 1.589
119 HE2 TYR 21 HE2 TYR 21 13.054 -6.512 2.143
120 HH TYR 21 HH TYR 21 11.830 -8.342 3.013
121 H CYS 22 H CYS 22 11.763 -0.089 1.890
122 HA CYS 22 HA CYS 22 9.992 1.828 0.524
123 HB2 CYS 22 2HB CYS 22 12.133 2.257 2.610
124 HB3 CYS 22 3HB CYS 22 11.412 3.574 1.689
125 H VAL 23 H VAL 23 10.579 2.363 -1.463
126 HA VAL 23 HA VAL 23 13.447 2.423 -2.128
127 HB VAL 23 HB VAL 23 11.248 1.399 -3.929
128 HG11 VAL 23 1HG1 VAL 23 14.096 2.105 -4.375
129 HG12 VAL 23 2HG1 VAL 23 13.462 0.678 -5.195
130 HG13 VAL 23 3HG1 VAL 23 12.710 2.252 -5.455
131 HG21 VAL 23 1HG2 VAL 23 12.271 -0.771 -3.697
132 HG22 VAL 23 2HG2 VAL 23 13.542 -0.104 -2.673
133 HG23 VAL 23 3HG2 VAL 23 11.876 -0.146 -2.096
134 H GLY 24 H GLY 24 14.135 4.175 -3.236
135 HA2 GLY 24 2HA GLY 24 12.089 5.981 -4.356
136 HA3 GLY 24 3HA GLY 24 13.340 6.600 -3.288
137 H TYR 25 H TYR 25 12.477 6.045 -6.471
138 HA TYR 25 HA TYR 25 15.061 5.594 -7.595
139 HB2 TYR 25 2HB TYR 25 12.851 5.043 -8.693
140 HB3 TYR 25 3HB TYR 25 12.655 6.766 -8.997
141 HD1 TYR 25 HD1 TYR 25 14.977 3.924 -9.633
142 HD2 TYR 25 HD2 TYR 25 13.552 7.719 -10.927
143 HE1 TYR 25 HE1 TYR 25 16.277 3.698 -11.709
144 HE2 TYR 25 HE2 TYR 25 14.847 7.502 -13.007
145 HH TYR 25 HH TYR 25 17.227 5.087 -13.447
146 H CYS 26 H CYS 26 16.655 7.021 -7.613
147 HA CYS 26 HA CYS 26 15.984 9.883 -7.832
148 HB2 CYS 26 2HB CYS 26 18.474 8.727 -6.569
149 HB3 CYS 26 3HB CYS 26 17.939 10.404 -6.534
150 H GLY 27 H GLY 27 18.628 7.577 -8.501
151 HA2 GLY 27 2HA GLY 27 19.650 7.247 -10.595
152 HA3 GLY 27 3HA GLY 27 18.906 8.733 -11.168
153 H ASN 28 H ASN 28 20.737 9.685 -11.971
154 HA ASN 28 HA ASN 28 22.999 10.070 -10.151
155 HB2 ASN 28 2HB ASN 28 22.684 10.414 -13.131
156 HB3 ASN 28 3HB ASN 28 24.098 11.003 -12.262
157 HD21 ASN 28 1HD2 ASN 28 22.665 8.377 -13.788
158 HD22 ASN 28 2HD2 ASN 28 23.793 7.158 -13.310
159 H ASN 29 H ASN 29 20.497 11.492 -9.776
160 HA ASN 29 HA ASN 29 20.922 14.196 -10.682
161 HB2 ASN 29 2HB ASN 29 18.903 12.977 -8.790
162 HB3 ASN 29 3HB ASN 29 18.927 14.684 -9.225
163 HD21 ASN 29 1HD2 ASN 29 16.935 12.545 -9.688
164 HD22 ASN 29 2HD2 ASN 29 16.648 12.554 -11.391
165 H GLY 30 H GLY 30 21.001 12.507 -7.549
166 HA2 GLY 30 2HA GLY 30 23.226 13.708 -6.499
167 HA3 GLY 30 3HA GLY 30 21.922 14.826 -6.132
168 H VAL 31 H VAL 31 22.827 14.177 -3.920
169 HA VAL 31 HA VAL 31 21.951 11.602 -2.936
170 HB VAL 31 HB VAL 31 23.013 13.930 -1.334
171 HG11 VAL 31 1HG1 VAL 31 23.682 12.123 0.240
172 HG12 VAL 31 2HG1 VAL 31 21.936 12.289 0.047
173 HG13 VAL 31 3HG1 VAL 31 22.794 10.978 -0.765
174 HG21 VAL 31 1HG2 VAL 31 24.357 12.100 -3.170
175 HG22 VAL 31 2HG2 VAL 31 24.915 13.623 -2.476
176 HG23 VAL 31 3HG2 VAL 31 25.066 12.126 -1.555
177 H VAL 32 H VAL 32 21.060 15.005 -2.462
178 HA VAL 32 HA VAL 32 19.108 14.729 -0.529
179 HB VAL 32 HB VAL 32 18.984 16.623 -2.880
180 HG11 VAL 32 1HG1 VAL 32 16.915 16.414 -1.514
181 HG12 VAL 32 2HG1 VAL 32 17.845 16.925 -0.104
182 HG13 VAL 32 3HG1 VAL 32 17.637 18.022 -1.471
183 HG21 VAL 32 1HG2 VAL 32 21.069 17.068 -1.982
184 HG22 VAL 32 2HG2 VAL 32 20.036 18.180 -1.084
185 HG23 VAL 32 3HG2 VAL 32 20.563 16.670 -0.340
186 H THR 33 H THR 33 18.629 14.685 -4.062
187 HA THR 33 HA THR 33 15.905 14.191 -4.100
188 HB THR 33 HB THR 33 17.408 12.729 -6.164
189 HG1 THR 33 HG1 THR 33 18.709 14.305 -6.727
190 HG21 THR 33 1HG2 THR 33 15.127 14.610 -5.943
191 HG22 THR 33 2HG2 THR 33 15.280 13.118 -6.871
192 HG23 THR 33 3HG2 THR 33 16.016 14.606 -7.465
193 H ARG 34 H RSS 34 18.570 11.836 -4.065
194 HB2 ARG 34 2HB RSS 34 19.507 9.410 -4.319
195 HB3 ARG 34 3HB RSS 34 19.649 10.114 -2.713
196 HG2 ARG 34 2HG RSS 34 18.121 7.619 -2.805
197 HG3 ARG 34 3HG RSS 34 19.814 7.464 -3.277
198 HD2 ARG 34 2HD RSS 34 19.134 9.016 -0.826
199 HD3 ARG 34 3HD RSS 34 19.077 7.256 -0.760
200 HE ARG 34 HE RSS 34 21.416 8.902 -0.874
201 HH11 ARG 34 1HH2 RSS 34 23.449 7.868 -0.845
202 HH12 ARG 34 2HH2 RSS 34 23.547 6.173 -1.184
203 HH21 ARG 34 1HH1 RSS 34 20.108 5.777 -1.677
204 HH22 ARG 34 2HH1 RSS 34 21.648 4.983 -1.658
205 H ASN 35 H ASN 35 17.489 11.662 -1.531
206 HA ASN 35 HA ASN 35 16.352 9.809 0.373
207 HB2 ASN 35 2HB ASN 35 17.092 12.734 0.565
208 HB3 ASN 35 3HB ASN 35 16.415 11.812 1.904
209 HD21 ASN 35 1HD2 ASN 35 19.203 12.884 0.550
210 HD22 ASN 35 2HD2 ASN 35 20.314 11.753 1.237
211 H ALA 36 H ALA 36 15.328 12.750 -1.320
212 HA ALA 36 HA ALA 36 12.855 13.151 -0.161
213 HB1 ALA 36 1HB ALA 36 12.831 14.796 -1.645
214 HB2 ALA 36 2HB ALA 36 14.227 14.083 -2.455
215 HB3 ALA 36 3HB ALA 36 12.595 13.635 -2.952
216 H ASN 37 H ASN 37 13.669 11.038 -2.901
217 HA ASN 37 HA ASN 37 11.038 10.136 -3.379
218 HB2 ASN 37 2HB ASN 37 13.728 8.918 -4.021
219 HB3 ASN 37 3HB ASN 37 12.201 8.228 -4.565
220 HD21 ASN 37 1HD2 ASN 37 11.323 8.970 -6.379
221 HD22 ASN 37 2HD2 ASN 37 11.865 10.357 -7.256
222 H ALA 38 H ALA 38 13.748 8.543 -1.692
223 HA ALA 38 HA ALA 38 12.389 6.279 -0.833
224 HB1 ALA 38 1HB ALA 38 14.122 6.074 0.883
225 HB2 ALA 38 2HB ALA 38 14.808 6.505 -0.685
226 HB3 ALA 38 3HB ALA 38 14.629 7.734 0.567
227 H ASN 39 H ASN 39 12.243 9.537 0.337
228 HA ASN 39 HA ASN 39 11.187 8.970 2.915
229 HB2 ASN 39 2HB ASN 39 11.615 11.359 1.242
230 HB3 ASN 39 3HB ASN 39 10.266 11.478 2.367
231 HD21 ASN 39 1HD2 ASN 39 13.390 12.197 2.027
232 HD22 ASN 39 2HD2 ASN 39 13.910 12.139 3.674
233 H VAL 40 H VAL 40 9.795 9.347 -0.265
234 HA VAL 40 HA VAL 40 7.084 9.567 0.661
235 HB VAL 40 HB VAL 40 8.139 8.922 -2.096
236 HG11 VAL 40 1HG1 VAL 40 5.899 9.599 -2.864
237 HG12 VAL 40 2HG1 VAL 40 5.850 8.166 -1.835
238 HG13 VAL 40 3HG1 VAL 40 5.382 9.738 -1.184
239 HG21 VAL 40 1HG2 VAL 40 8.757 11.062 -2.126
240 HG22 VAL 40 2HG2 VAL 40 7.042 11.472 -2.088
241 HG23 VAL 40 3HG2 VAL 40 7.962 11.386 -0.586
242 H ALA 41 H ALA 41 9.201 6.985 -0.424
243 HA ALA 41 HA ALA 41 7.092 5.019 -0.500
244 HB1 ALA 41 1HB ALA 41 10.085 4.685 -0.653
245 HB2 ALA 41 2HB ALA 41 8.892 3.422 -0.960
246 HB3 ALA 41 3HB ALA 41 8.981 4.828 -2.021
247 H LYS 42 H KSS 42 9.934 5.609 1.565
248 HB2 LYS 42 2HB KSS 42 10.994 4.762 4.862
249 HB3 LYS 42 3HB KSS 42 11.524 5.166 3.234
250 HG2 LYS 42 2HG KSS 42 11.496 7.257 4.070
251 HG3 LYS 42 3HG KSS 42 9.789 7.163 3.630
252 HD2 LYS 42 2HD KSS 42 9.632 7.904 5.799
253 HD3 LYS 42 3HD KSS 42 9.548 6.158 6.044
254 HE2 LYS 42 2HE KSS 42 12.192 6.458 6.170
255 HE3 LYS 42 3HE KSS 42 11.719 8.075 6.691
256 HZ1 LYS 42 1HZ KSS 42 11.370 5.513 8.034
257 HZ2 LYS 42 2HZ KSS 42 10.112 6.631 8.204
258 HZ3 LYS 42 3HZ KSS 42 11.680 7.044 8.685
259 H THR 43 H THR 43 7.844 6.554 3.070
260 HA THR 43 HA THR 43 6.568 6.330 5.655
261 HB THR 43 HB THR 43 6.001 8.205 3.350
262 HG1 THR 43 HG1 THR 43 7.676 8.307 5.610
263 HG21 THR 43 1HG2 THR 43 5.106 9.374 5.691
264 HG22 THR 43 2HG2 THR 43 4.593 7.694 5.844
265 HG23 THR 43 3HG2 THR 43 4.098 8.643 4.443
266 H ALA 44 H ALA 44 5.776 5.698 2.285
267 HA ALA 44 HA ALA 44 3.028 5.029 2.877
268 HB1 ALA 44 1HB ALA 44 4.352 4.324 0.297
269 HB2 ALA 44 2HB ALA 44 2.701 4.863 0.604
270 HB3 ALA 44 3HB ALA 44 4.033 6.016 0.681
Start of MODEL 15
1 H1 TRP 1 H TRP 1 2.529 0.494 1.229
2 HA TRP 1 HA TRP 1 3.353 -0.893 -1.074
3 HB2 TRP 1 2HB TRP 1 0.630 0.212 -1.129
4 HB3 TRP 1 3HB TRP 1 1.640 0.723 -2.479
5 HD1 TRP 1 HD1 TRP 1 0.820 -2.664 -0.741
6 HE1 TRP 1 HE1 TRP 1 0.544 -4.441 -2.582
7 HE3 TRP 1 HE3 TRP 1 1.799 0.245 -4.830
8 HZ2 TRP 1 HZ2 TRP 1 0.719 -4.590 -5.396
9 HZ3 TRP 1 HZ3 TRP 1 1.725 -0.792 -7.060
10 HH2 TRP 1 HH2 TRP 1 1.197 -3.160 -7.335
11 H GLY 2 H GLY 2 5.233 0.273 -0.532
12 HA2 GLY 2 2HA GLY 2 5.089 3.176 -1.057
13 HA3 GLY 2 3HA GLY 2 6.299 2.409 -0.039
14 H CYS 3 H CYS 3 5.433 3.344 -3.223
15 HA CYS 3 HA CYS 3 8.104 2.640 -4.150
16 HB2 CYS 3 2HB CYS 3 5.946 1.011 -4.793
17 HB3 CYS 3 3HB CYS 3 6.131 2.043 -6.207
18 H VAL 4 H VAL 4 8.908 4.494 -4.859
19 HA VAL 4 HA VAL 4 7.155 6.281 -6.419
20 HB VAL 4 HB VAL 4 7.699 7.244 -4.211
21 HG11 VAL 4 1HG1 VAL 4 10.541 7.004 -5.187
22 HG12 VAL 4 2HG1 VAL 4 10.045 7.988 -3.808
23 HG13 VAL 4 3HG1 VAL 4 9.828 6.238 -3.768
24 HG21 VAL 4 1HG2 VAL 4 7.326 8.677 -6.189
25 HG22 VAL 4 2HG2 VAL 4 8.414 9.412 -5.011
26 HG23 VAL 4 3HG2 VAL 4 9.066 8.688 -6.481
27 H CYS 5 H CYS 5 8.080 7.373 -8.173
28 HA CYS 5 HA CYS 5 10.795 6.568 -8.945
29 HB2 CYS 5 2HB CYS 5 8.479 6.548 -10.883
30 HB3 CYS 5 3HB CYS 5 10.121 5.980 -11.166
31 H SER 6 H SER 6 11.905 8.036 -10.237
32 HA SER 6 HA SER 6 10.803 10.740 -10.194
33 HB2 SER 6 2HB SER 6 13.015 10.519 -9.251
34 HB3 SER 6 3HB SER 6 13.602 9.708 -10.703
35 HG SER 6 HG SER 6 13.485 12.327 -10.186
36 H GLY 7 H GLY 7 9.324 9.807 -11.983
37 HA2 GLY 7 2HA GLY 7 10.089 11.005 -14.430
38 HA3 GLY 7 3HA GLY 7 10.242 9.259 -14.555
39 H SER 8 H SER 8 8.388 7.963 -14.482
40 HA SER 8 HA SER 8 5.841 9.426 -14.707
41 HB2 SER 8 2HB SER 8 7.127 8.037 -16.757
42 HB3 SER 8 3HB SER 8 5.871 6.932 -16.198
43 HG SER 8 HG SER 8 5.516 8.879 -17.829
44 H THR 9 H THR 9 3.935 7.824 -14.527
45 HA THR 9 HA THR 9 4.200 6.497 -11.990
46 HB THR 9 HB THR 9 1.707 5.805 -12.821
47 HG1 THR 9 HG1 THR 9 1.897 6.895 -14.804
48 HG21 THR 9 1HG2 THR 9 1.208 8.275 -11.836
49 HG22 THR 9 2HG2 THR 9 2.873 8.046 -11.300
50 HG23 THR 9 3HG2 THR 9 1.629 6.885 -10.836
51 H ALA 10 H ALA 10 3.998 5.548 -15.348
52 HA ALA 10 HA ALA 10 3.356 2.833 -14.996
53 HB1 ALA 10 1HB ALA 10 4.924 4.170 -17.197
54 HB2 ALA 10 2HB ALA 10 4.287 2.526 -17.258
55 HB3 ALA 10 3HB ALA 10 3.182 3.897 -17.160
56 H VAL 11 H VAL 11 6.420 4.562 -14.921
57 HA VAL 11 HA VAL 11 7.987 2.144 -14.736
58 HB VAL 11 HB VAL 11 8.947 4.099 -15.829
59 HG11 VAL 11 1HG1 VAL 11 8.667 5.408 -13.128
60 HG12 VAL 11 2HG1 VAL 11 9.607 6.069 -14.467
61 HG13 VAL 11 3HG1 VAL 11 7.861 5.874 -14.625
62 HG21 VAL 11 1HG2 VAL 11 10.767 4.158 -13.602
63 HG22 VAL 11 2HG2 VAL 11 10.182 2.517 -13.878
64 HG23 VAL 11 3HG2 VAL 11 10.961 3.408 -15.186
65 H ALA 12 H ALS 12 6.577 4.474 -12.559
66 HB1 ALA 12 1HB ALS 12 5.166 4.705 -10.393
67 HB2 ALA 12 2HB ALS 12 6.249 4.932 -9.019
68 HB3 ALA 12 3HB ALS 12 6.507 5.845 -10.505
69 H ASN 13 H ASN 13 5.081 2.451 -11.406
70 HA ASN 13 HA ASN 13 5.046 0.568 -9.226
71 HB2 ASN 13 2HB ASN 13 3.007 -0.211 -10.114
72 HB3 ASN 13 3HB ASN 13 3.006 1.516 -10.461
73 HD21 ASN 13 1HD2 ASN 13 3.497 2.203 -12.602
74 HD22 ASN 13 2HD2 ASN 13 3.213 1.151 -13.943
75 H SER 14 H SER 14 6.267 0.681 -12.468
76 HA SER 14 HA SER 14 6.409 -1.987 -13.163
77 HB2 SER 14 2HB SER 14 7.071 -0.368 -14.777
78 HB3 SER 14 3HB SER 14 8.310 0.294 -13.711
79 HG SER 14 HG SER 14 9.427 -0.999 -15.047
80 H HIS 15 H HIS 15 8.593 -0.123 -11.098
81 HA HIS 15 HA HIS 15 10.242 -2.465 -10.595
82 HB2 HIS 15 2HB HIS 15 10.581 0.391 -10.393
83 HB3 HIS 15 3HB HIS 15 11.010 -0.378 -8.868
84 HD1 HIS 15 HD1 HIS 15 12.968 -2.146 -8.960
85 HD2 HIS 15 HD2 HIS 15 12.387 0.040 -12.445
86 HE1 HIS 15 HE1 HIS 15 15.051 -2.492 -10.326
87 H ASN 16 H NSS 16 8.580 -0.086 -8.515
88 HB2 ASN 16 2HB NSS 16 6.306 -1.925 -8.052
89 HB3 ASN 16 3HB NSS 16 6.875 -3.089 -6.859
90 HD21 ASN 16 1HD2 NSS 16 5.004 -0.178 -7.352
91 HD22 ASN 16 2HD2 NSS 16 4.086 -0.291 -5.894
92 H ALA 17 H ALA 17 7.391 -2.280 -4.614
93 HA ALA 17 HA ALA 17 9.817 -3.793 -4.313
94 HB1 ALA 17 1HB ALA 17 9.490 -1.972 -2.026
95 HB2 ALA 17 2HB ALA 17 10.955 -2.573 -2.803
96 HB3 ALA 17 3HB ALA 17 10.068 -1.226 -3.516
97 H GLY 18 H GLY 18 7.351 -2.315 -2.187
98 HA2 GLY 18 2HA GLY 18 5.657 -4.376 -1.770
99 HA3 GLY 18 3HA GLY 18 7.028 -4.812 -0.761
100 HA PRO 19 HA PRO 19 4.034 -1.921 1.476
101 HB2 PRO 19 2HB PRO 19 3.199 -3.695 3.354
102 HB3 PRO 19 3HB PRO 19 2.386 -3.489 1.798
103 HG2 PRO 19 2HG PRO 19 4.356 -5.578 2.642
104 HG3 PRO 19 3HG PRO 19 2.860 -5.764 1.708
105 HD2 PRO 19 2HD PRO 19 5.305 -5.704 0.546
106 HD3 PRO 19 3HD PRO 19 3.852 -5.074 -0.255
107 H ALA 20 H ALA 20 6.323 -4.368 2.593
108 HA ALA 20 HA ALA 20 7.030 -2.652 4.872
109 HB1 ALA 20 1HB ALA 20 7.634 -5.562 4.361
110 HB2 ALA 20 2HB ALA 20 8.175 -4.647 5.769
111 HB3 ALA 20 3HB ALA 20 6.452 -4.911 5.497
112 H TYR 21 H TYR 21 7.853 -2.315 2.004
113 HA TYR 21 HA TYR 21 10.743 -2.185 2.508
114 HB2 TYR 21 2HB TYR 21 9.404 -3.198 -0.003
115 HB3 TYR 21 3HB TYR 21 11.105 -2.757 0.083
116 HD1 TYR 21 HD1 TYR 21 12.673 -4.369 0.663
117 HD2 TYR 21 HD2 TYR 21 8.596 -4.986 1.711
118 HE1 TYR 21 HE1 TYR 21 13.225 -6.633 1.449
119 HE2 TYR 21 HE2 TYR 21 9.136 -7.251 2.501
120 HH TYR 21 HH TYR 21 12.076 -8.289 3.243
121 H CYS 22 H CYS 22 11.707 -0.323 1.901
122 HA CYS 22 HA CYS 22 10.018 1.668 0.535
123 HB2 CYS 22 2HB CYS 22 12.160 2.005 2.636
124 HB3 CYS 22 3HB CYS 22 11.523 3.352 1.698
125 H VAL 23 H VAL 23 10.697 2.460 -1.350
126 HA VAL 23 HA VAL 23 13.544 2.336 -2.029
127 HB VAL 23 HB VAL 23 11.377 1.339 -3.882
128 HG11 VAL 23 1HG1 VAL 23 13.408 0.565 -5.198
129 HG12 VAL 23 2HG1 VAL 23 13.078 2.299 -5.199
130 HG13 VAL 23 3HG1 VAL 23 14.353 1.643 -4.171
131 HG21 VAL 23 1HG2 VAL 23 12.578 -0.857 -3.606
132 HG22 VAL 23 2HG2 VAL 23 13.426 -0.134 -2.239
133 HG23 VAL 23 3HG2 VAL 23 11.671 -0.309 -2.196
134 H GLY 24 H GLY 24 14.261 4.065 -3.156
135 HA2 GLY 24 2HA GLY 24 12.233 5.897 -4.273
136 HA3 GLY 24 3HA GLY 24 13.543 6.494 -3.265
137 H TYR 25 H TYR 25 12.541 5.926 -6.401
138 HA TYR 25 HA TYR 25 15.140 5.465 -7.560
139 HB2 TYR 25 2HB TYR 25 12.706 4.854 -8.447
140 HB3 TYR 25 3HB TYR 25 12.852 6.434 -9.208
141 HD1 TYR 25 HD1 TYR 25 14.015 6.668 -11.220
142 HD2 TYR 25 HD2 TYR 25 14.582 3.156 -8.887
143 HE1 TYR 25 HE1 TYR 25 15.323 5.672 -13.049
144 HE2 TYR 25 HE2 TYR 25 15.893 2.150 -10.709
145 HH TYR 25 HH TYR 25 15.992 2.482 -13.305
146 H CYS 26 H CYS 26 16.578 7.070 -7.408
147 HA CYS 26 HA CYS 26 15.691 9.832 -7.842
148 HB2 CYS 26 2HB CYS 26 18.383 8.875 -6.855
149 HB3 CYS 26 3HB CYS 26 17.761 10.521 -6.814
150 H GLY 27 H GLY 27 18.036 7.441 -8.989
151 HA2 GLY 27 2HA GLY 27 18.903 7.205 -11.127
152 HA3 GLY 27 3HA GLY 27 18.036 8.657 -11.605
153 H ASN 28 H ASN 28 19.236 10.374 -12.060
154 HA ASN 28 HA ASN 28 21.846 10.663 -10.737
155 HB2 ASN 28 2HB ASN 28 21.246 10.865 -13.687
156 HB3 ASN 28 3HB ASN 28 22.686 11.579 -12.968
157 HD21 ASN 28 1HD2 ASN 28 20.965 8.572 -13.516
158 HD22 ASN 28 2HD2 ASN 28 22.347 7.542 -13.395
159 H ASN 29 H ASN 29 21.243 12.312 -9.400
160 HA ASN 29 HA ASN 29 20.882 14.903 -10.642
161 HB2 ASN 29 2HB ASN 29 18.828 13.813 -8.703
162 HB3 ASN 29 3HB ASN 29 18.886 15.468 -9.302
163 HD21 ASN 29 1HD2 ASN 29 17.750 12.341 -9.834
164 HD22 ASN 29 2HD2 ASN 29 17.100 12.579 -11.417
165 H GLY 30 H GLY 30 20.577 13.326 -7.449
166 HA2 GLY 30 2HA GLY 30 22.956 14.375 -6.397
167 HA3 GLY 30 3HA GLY 30 21.649 15.474 -5.983
168 H VAL 31 H VAL 31 22.940 14.393 -3.926
169 HA VAL 31 HA VAL 31 21.947 11.890 -3.036
170 HB VAL 31 HB VAL 31 22.976 14.136 -1.301
171 HG11 VAL 31 1HG1 VAL 31 21.918 12.348 -0.056
172 HG12 VAL 31 2HG1 VAL 31 22.886 11.145 -0.911
173 HG13 VAL 31 3HG1 VAL 31 23.665 12.291 0.181
174 HG21 VAL 31 1HG2 VAL 31 25.177 12.901 -1.532
175 HG22 VAL 31 2HG2 VAL 31 24.457 12.070 -2.911
176 HG23 VAL 31 3HG2 VAL 31 24.648 13.823 -2.940
177 H VAL 32 H VAL 32 20.935 15.233 -2.485
178 HA VAL 32 HA VAL 32 19.034 14.843 -0.507
179 HB VAL 32 HB VAL 32 18.903 16.800 -2.805
180 HG11 VAL 32 1HG1 VAL 32 17.050 16.227 -0.703
181 HG12 VAL 32 2HG1 VAL 32 17.714 17.847 -0.478
182 HG13 VAL 32 3HG1 VAL 32 16.929 17.417 -1.998
183 HG21 VAL 32 1HG2 VAL 32 19.864 17.368 -0.019
184 HG22 VAL 32 2HG2 VAL 32 20.958 16.788 -1.275
185 HG23 VAL 32 3HG2 VAL 32 20.105 18.317 -1.487
186 H THR 33 H THR 33 18.539 14.820 -4.035
187 HA THR 33 HA THR 33 15.820 14.248 -4.048
188 HB THR 33 HB THR 33 17.411 12.924 -6.160
189 HG1 THR 33 HG1 THR 33 18.624 14.600 -6.567
190 HG21 THR 33 1HG2 THR 33 14.972 13.247 -6.304
191 HG22 THR 33 2HG2 THR 33 15.826 14.076 -7.606
192 HG23 THR 33 3HG2 THR 33 15.212 14.993 -6.231
193 H ARG 34 H RSS 34 18.571 11.994 -4.125
194 HB2 ARG 34 2HB RSS 34 19.590 9.612 -4.466
195 HB3 ARG 34 3HB RSS 34 19.740 10.277 -2.844
196 HG2 ARG 34 2HG RSS 34 18.323 7.704 -3.046
197 HG3 ARG 34 3HG RSS 34 20.045 7.675 -3.434
198 HD2 ARG 34 2HD RSS 34 20.598 8.622 -1.296
199 HD3 ARG 34 3HD RSS 34 18.894 8.872 -0.919
200 HE ARG 34 HE RSS 34 18.722 6.655 -0.341
201 HH11 ARG 34 1HH2 RSS 34 19.547 4.584 0.143
202 HH12 ARG 34 2HH2 RSS 34 21.123 4.142 -0.420
203 HH21 ARG 34 1HH1 RSS 34 21.734 7.201 -2.000
204 HH22 ARG 34 2HH1 RSS 34 22.369 5.630 -1.638
205 H ASN 35 H ASN 35 17.580 11.697 -1.563
206 HA ASN 35 HA ASN 35 16.527 9.754 0.298
207 HB2 ASN 35 2HB ASN 35 17.138 12.700 0.615
208 HB3 ASN 35 3HB ASN 35 16.629 11.637 1.924
209 HD21 ASN 35 1HD2 ASN 35 19.204 13.128 0.811
210 HD22 ASN 35 2HD2 ASN 35 20.449 11.994 1.200
211 H ALA 36 H ALA 36 15.401 12.725 -1.272
212 HA ALA 36 HA ALA 36 12.951 13.038 -0.043
213 HB1 ALA 36 1HB ALA 36 14.080 14.521 -1.787
214 HB2 ALA 36 2HB ALA 36 13.314 13.483 -2.990
215 HB3 ALA 36 3HB ALA 36 12.322 14.392 -1.849
216 H ASN 37 H ASN 37 13.786 10.956 -2.787
217 HA ASN 37 HA ASN 37 11.162 10.042 -3.296
218 HB2 ASN 37 2HB ASN 37 13.874 8.874 -3.932
219 HB3 ASN 37 3HB ASN 37 12.367 8.133 -4.462
220 HD21 ASN 37 1HD2 ASN 37 11.660 8.702 -6.382
221 HD22 ASN 37 2HD2 ASN 37 12.078 10.145 -7.235
222 H ALA 38 H ALA 38 13.873 8.442 -1.617
223 HA ALA 38 HA ALA 38 12.498 6.181 -0.763
224 HB1 ALA 38 1HB ALA 38 14.241 6.067 1.038
225 HB2 ALA 38 2HB ALA 38 14.870 6.228 -0.602
226 HB3 ALA 38 3HB ALA 38 14.833 7.629 0.469
227 H ASN 39 H ASN 39 12.396 9.434 0.421
228 HA ASN 39 HA ASN 39 11.363 8.859 3.010
229 HB2 ASN 39 2HB ASN 39 12.381 10.987 2.708
230 HB3 ASN 39 3HB ASN 39 11.377 11.350 1.308
231 HD21 ASN 39 1HD2 ASN 39 10.108 12.979 1.818
232 HD22 ASN 39 2HD2 ASN 39 9.184 13.131 3.270
233 H VAL 40 H VAL 40 9.939 9.352 -0.149
234 HA VAL 40 HA VAL 40 7.243 9.560 0.825
235 HB VAL 40 HB VAL 40 8.165 8.952 -1.987
236 HG11 VAL 40 1HG1 VAL 40 5.837 8.449 -1.680
237 HG12 VAL 40 2HG1 VAL 40 5.563 9.996 -0.877
238 HG13 VAL 40 3HG1 VAL 40 5.972 9.951 -2.593
239 HG21 VAL 40 1HG2 VAL 40 9.025 11.008 -1.996
240 HG22 VAL 40 2HG2 VAL 40 7.371 11.607 -1.866
241 HG23 VAL 40 3HG2 VAL 40 8.342 11.378 -0.412
242 H ALA 41 H ALA 41 9.346 7.003 -0.300
243 HA ALA 41 HA ALA 41 7.215 5.059 -0.483
244 HB1 ALA 41 1HB ALA 41 9.051 3.458 -0.932
245 HB2 ALA 41 2HB ALA 41 9.061 4.853 -2.013
246 HB3 ALA 41 3HB ALA 41 10.208 4.765 -0.676
247 H LYS 42 H KSS 42 10.047 5.558 1.619
248 HB2 LYS 42 2HB KSS 42 11.073 4.610 4.897
249 HB3 LYS 42 3HB KSS 42 11.612 5.090 3.294
250 HG2 LYS 42 2HG KSS 42 10.340 7.173 3.497
251 HG3 LYS 42 3HG KSS 42 9.828 6.692 5.117
252 HD2 LYS 42 2HD KSS 42 12.719 6.960 4.314
253 HD3 LYS 42 3HD KSS 42 11.783 8.286 5.009
254 HE2 LYS 42 2HE KSS 42 12.560 7.478 6.961
255 HE3 LYS 42 3HE KSS 42 11.247 6.316 6.781
256 HZ1 LYS 42 1HZ KSS 42 12.729 4.694 6.706
257 HZ2 LYS 42 2HZ KSS 42 13.986 5.806 6.914
258 HZ3 LYS 42 3HZ KSS 42 13.478 5.386 5.356
259 H THR 43 H THR 43 7.964 6.476 3.185
260 HA THR 43 HA THR 43 6.646 6.124 5.728
261 HB THR 43 HB THR 43 5.995 8.063 3.500
262 HG1 THR 43 HG1 THR 43 8.111 8.360 4.352
263 HG21 THR 43 1HG2 THR 43 5.233 8.076 6.423
264 HG22 THR 43 2HG2 THR 43 4.148 7.730 5.076
265 HG23 THR 43 3HG2 THR 43 4.854 9.337 5.251
266 H ALA 44 H ALA 44 5.893 5.609 2.328
267 HA ALA 44 HA ALA 44 3.133 5.005 2.752
268 HB1 ALA 44 1HB ALA 44 3.648 5.750 0.597
269 HB2 ALA 44 2HB ALA 44 5.008 4.638 0.438
270 HB3 ALA 44 3HB ALA 44 3.355 4.022 0.400
Start of MODEL 16
1 H1 TRP 1 H TRP 1 1.334 -0.451 1.111
2 HA TRP 1 HA TRP 1 3.086 -1.001 -0.253
3 HB2 TRP 1 2HB TRP 1 2.858 -0.893 -2.681
4 HB3 TRP 1 3HB TRP 1 1.423 -1.622 -1.965
5 HD1 TRP 1 HD1 TRP 1 -0.804 -0.002 -1.840
6 HE1 TRP 1 HE1 TRP 1 -1.561 1.866 -3.441
7 HE3 TRP 1 HE3 TRP 1 3.641 0.893 -4.203
8 HZ2 TRP 1 HZ2 TRP 1 -0.425 3.502 -5.441
9 HZ3 TRP 1 HZ3 TRP 1 3.720 2.625 -5.949
10 HH2 TRP 1 HH2 TRP 1 1.729 3.901 -6.554
11 H GLY 2 H GLY 2 4.926 0.051 -1.112
12 HA2 GLY 2 2HA GLY 2 4.737 2.978 -1.348
13 HA3 GLY 2 3HA GLY 2 5.894 2.276 -0.226
14 H CYS 3 H CYS 3 5.207 3.056 -3.502
15 HA CYS 3 HA CYS 3 7.949 2.334 -4.225
16 HB2 CYS 3 2HB CYS 3 5.714 0.847 -5.075
17 HB3 CYS 3 3HB CYS 3 6.202 1.818 -6.461
18 H VAL 4 H VAL 4 8.864 4.159 -4.871
19 HA VAL 4 HA VAL 4 7.263 6.044 -6.478
20 HB VAL 4 HB VAL 4 7.815 6.954 -4.253
21 HG11 VAL 4 1HG1 VAL 4 10.202 7.552 -3.802
22 HG12 VAL 4 2HG1 VAL 4 9.857 5.822 -3.751
23 HG13 VAL 4 3HG1 VAL 4 10.656 6.522 -5.159
24 HG21 VAL 4 1HG2 VAL 4 8.673 9.078 -5.009
25 HG22 VAL 4 2HG2 VAL 4 9.339 8.333 -6.462
26 HG23 VAL 4 3HG2 VAL 4 7.592 8.420 -6.238
27 H CYS 5 H CYS 5 8.278 7.084 -8.210
28 HA CYS 5 HA CYS 5 10.976 6.187 -8.918
29 HB2 CYS 5 2HB CYS 5 8.688 6.136 -10.891
30 HB3 CYS 5 3HB CYS 5 10.335 5.567 -11.148
31 H SER 6 H SER 6 12.148 7.615 -10.181
32 HA SER 6 HA SER 6 11.127 10.338 -10.199
33 HB2 SER 6 2HB SER 6 13.354 10.094 -9.341
34 HB3 SER 6 3HB SER 6 13.861 9.173 -10.757
35 HG SER 6 HG SER 6 13.885 11.819 -10.393
36 H GLY 7 H GLY 7 9.533 9.584 -11.907
37 HA2 GLY 7 2HA GLY 7 10.243 10.686 -14.393
38 HA3 GLY 7 3HA GLY 7 10.343 8.935 -14.517
39 H SER 8 H SER 8 8.403 7.696 -13.985
40 HA SER 8 HA SER 8 5.896 9.190 -14.104
41 HB2 SER 8 2HB SER 8 6.978 8.170 -16.422
42 HB3 SER 8 3HB SER 8 5.886 6.883 -15.913
43 HG SER 8 HG SER 8 5.033 8.704 -17.269
44 H THR 9 H THR 9 4.001 7.526 -14.044
45 HA THR 9 HA THR 9 4.378 5.964 -11.673
46 HB THR 9 HB THR 9 1.931 5.860 -13.424
47 HG1 THR 9 HG1 THR 9 1.241 7.753 -12.484
48 HG21 THR 9 1HG2 THR 9 1.325 6.022 -10.679
49 HG22 THR 9 2HG2 THR 9 2.655 4.873 -10.828
50 HG23 THR 9 3HG2 THR 9 1.166 4.621 -11.738
51 H ALA 10 H ALA 10 3.919 5.266 -15.101
52 HA ALA 10 HA ALA 10 3.480 2.538 -15.018
53 HB1 ALA 10 1HB ALA 10 3.455 4.039 -17.042
54 HB2 ALA 10 2HB ALA 10 5.212 3.880 -17.080
55 HB3 ALA 10 3HB ALA 10 4.194 2.454 -17.275
56 H VAL 11 H VAL 11 6.539 4.301 -14.838
57 HA VAL 11 HA VAL 11 8.097 1.868 -14.727
58 HB VAL 11 HB VAL 11 9.086 3.790 -15.815
59 HG11 VAL 11 1HG1 VAL 11 8.005 5.608 -14.721
60 HG12 VAL 11 2HG1 VAL 11 8.692 5.157 -13.160
61 HG13 VAL 11 3HG1 VAL 11 9.736 5.782 -14.437
62 HG21 VAL 11 1HG2 VAL 11 10.826 3.867 -13.491
63 HG22 VAL 11 2HG2 VAL 11 10.319 2.227 -13.897
64 HG23 VAL 11 3HG2 VAL 11 11.126 3.225 -15.106
65 H ALA 12 H ALS 12 6.704 4.152 -12.504
66 HB1 ALA 12 1HB ALS 12 5.358 4.416 -10.308
67 HB2 ALA 12 2HB ALS 12 6.472 4.599 -8.952
68 HB3 ALA 12 3HB ALS 12 6.728 5.521 -10.434
69 H ASN 13 H ASN 13 5.207 2.172 -11.370
70 HA ASN 13 HA ASN 13 5.114 0.279 -9.206
71 HB2 ASN 13 2HB ASN 13 3.059 -0.416 -10.082
72 HB3 ASN 13 3HB ASN 13 3.126 1.287 -10.527
73 HD21 ASN 13 1HD2 ASN 13 3.659 1.834 -12.694
74 HD22 ASN 13 2HD2 ASN 13 3.365 0.716 -13.978
75 H SER 14 H SER 14 6.370 0.368 -12.438
76 HA SER 14 HA SER 14 6.474 -2.304 -13.126
77 HB2 SER 14 2HB SER 14 8.233 0.044 -13.724
78 HB3 SER 14 3HB SER 14 8.751 -1.564 -14.229
79 HG SER 14 HG SER 14 7.511 -1.169 -15.884
80 H HIS 15 H HIS 15 8.619 -0.480 -10.997
81 HA HIS 15 HA HIS 15 10.254 -2.835 -10.496
82 HB2 HIS 15 2HB HIS 15 10.474 0.072 -9.905
83 HB3 HIS 15 3HB HIS 15 11.279 -1.039 -8.801
84 HD1 HIS 15 HD1 HIS 15 11.280 -0.014 -12.434
85 HD2 HIS 15 HD2 HIS 15 13.640 -2.099 -9.723
86 HE1 HIS 15 HE1 HIS 15 13.453 -0.445 -13.626
87 H ASN 16 H NSS 16 8.519 -0.473 -8.456
88 HB2 ASN 16 2HB NSS 16 6.272 -2.356 -8.041
89 HB3 ASN 16 3HB NSS 16 6.834 -3.502 -6.828
90 HD21 ASN 16 1HD2 NSS 16 4.914 -0.637 -7.388
91 HD22 ASN 16 2HD2 NSS 16 3.962 -0.760 -5.951
92 H ALA 17 H ALA 17 7.276 -2.672 -4.575
93 HA ALA 17 HA ALA 17 9.676 -4.184 -4.202
94 HB1 ALA 17 1HB ALA 17 9.291 -2.018 -2.168
95 HB2 ALA 17 2HB ALA 17 10.711 -3.019 -2.474
96 HB3 ALA 17 3HB ALA 17 10.266 -1.749 -3.613
97 H GLY 18 H GLY 18 7.135 -2.581 -2.265
98 HA2 GLY 18 2HA GLY 18 5.430 -4.547 -1.708
99 HA3 GLY 18 3HA GLY 18 6.792 -5.014 -0.700
100 HA PRO 19 HA PRO 19 3.940 -1.893 1.442
101 HB2 PRO 19 2HB PRO 19 2.898 -3.578 3.298
102 HB3 PRO 19 3HB PRO 19 2.152 -3.309 1.718
103 HG2 PRO 19 2HG PRO 19 3.906 -5.559 2.626
104 HG3 PRO 19 3HG PRO 19 2.428 -5.617 1.648
105 HD2 PRO 19 2HD PRO 19 4.902 -5.778 0.559
106 HD3 PRO 19 3HD PRO 19 3.534 -5.026 -0.286
107 H ALA 20 H ALA 20 6.186 -4.374 2.432
108 HA ALA 20 HA ALA 20 6.869 -2.807 4.830
109 HB1 ALA 20 1HB ALA 20 7.848 -5.594 4.421
110 HB2 ALA 20 2HB ALA 20 7.496 -4.731 5.919
111 HB3 ALA 20 3HB ALA 20 6.175 -5.328 4.914
112 H TYR 21 H TYR 21 7.739 -2.396 1.986
113 HA TYR 21 HA TYR 21 10.615 -2.316 2.546
114 HB2 TYR 21 2HB TYR 21 9.314 -3.454 0.076
115 HB3 TYR 21 3HB TYR 21 10.984 -2.900 0.085
116 HD1 TYR 21 HD1 TYR 21 12.710 -4.179 1.156
117 HD2 TYR 21 HD2 TYR 21 8.646 -5.413 1.414
118 HE1 TYR 21 HE1 TYR 21 13.435 -6.365 2.019
119 HE2 TYR 21 HE2 TYR 21 9.360 -7.602 2.279
120 HH TYR 21 HH TYR 21 11.078 -8.912 2.783
121 H CYS 22 H CYS 22 11.583 -0.456 1.965
122 HA CYS 22 HA CYS 22 9.944 1.511 0.510
123 HB2 CYS 22 2HB CYS 22 12.094 1.894 2.598
124 HB3 CYS 22 3HB CYS 22 11.408 3.214 1.658
125 H VAL 23 H VAL 23 10.669 2.322 -1.356
126 HA VAL 23 HA VAL 23 13.514 2.080 -2.020
127 HB VAL 23 HB VAL 23 11.301 1.220 -3.888
128 HG11 VAL 23 1HG1 VAL 23 13.066 2.172 -5.160
129 HG12 VAL 23 2HG1 VAL 23 14.293 1.346 -4.198
130 HG13 VAL 23 3HG1 VAL 23 13.243 0.422 -5.272
131 HG21 VAL 23 1HG2 VAL 23 11.567 -0.453 -2.200
132 HG22 VAL 23 2HG2 VAL 23 12.364 -1.032 -3.663
133 HG23 VAL 23 3HG2 VAL 23 13.324 -0.384 -2.333
134 H GLY 24 H GLY 24 14.324 3.748 -3.201
135 HA2 GLY 24 2HA GLY 24 12.398 5.720 -4.254
136 HA3 GLY 24 3HA GLY 24 13.743 6.229 -3.243
137 H TYR 25 H TYR 25 12.699 5.728 -6.386
138 HA TYR 25 HA TYR 25 15.336 5.260 -7.508
139 HB2 TYR 25 2HB TYR 25 12.991 4.416 -8.381
140 HB3 TYR 25 3HB TYR 25 12.968 5.980 -9.186
141 HD1 TYR 25 HD1 TYR 25 15.498 3.276 -8.625
142 HD2 TYR 25 HD2 TYR 25 13.611 5.901 -11.391
143 HE1 TYR 25 HE1 TYR 25 16.886 2.356 -10.435
144 HE2 TYR 25 HE2 TYR 25 14.993 4.988 -13.209
145 HH TYR 25 HH TYR 25 16.936 2.166 -12.802
146 H CYS 26 H CYS 26 16.675 6.953 -7.451
147 HA CYS 26 HA CYS 26 15.940 9.359 -8.874
148 HB2 CYS 26 2HB CYS 26 16.723 10.823 -6.956
149 HB3 CYS 26 3HB CYS 26 15.152 10.056 -6.742
150 H GLY 27 H GLY 27 17.603 9.796 -10.154
151 HA2 GLY 27 2HA GLY 27 20.317 9.692 -9.098
152 HA3 GLY 27 3HA GLY 27 19.964 8.600 -10.429
153 H ASN 28 H ASN 28 21.929 10.503 -10.673
154 HA ASN 28 HA ASN 28 22.685 12.123 -12.079
155 HB2 ASN 28 2HB ASN 28 20.776 10.693 -13.520
156 HB3 ASN 28 3HB ASN 28 20.338 12.379 -13.778
157 HD21 ASN 28 1HD2 ASN 28 23.326 10.469 -13.568
158 HD22 ASN 28 2HD2 ASN 28 24.050 11.136 -14.988
159 H ASN 29 H ASN 29 20.980 12.781 -9.742
160 HA ASN 29 HA ASN 29 20.279 15.515 -10.564
161 HB2 ASN 29 2HB ASN 29 18.667 13.697 -8.763
162 HB3 ASN 29 3HB ASN 29 18.381 15.428 -8.922
163 HD21 ASN 29 1HD2 ASN 29 17.349 12.512 -9.915
164 HD22 ASN 29 2HD2 ASN 29 16.655 12.936 -11.440
165 H GLY 30 H GLY 30 20.230 13.730 -7.480
166 HA2 GLY 30 2HA GLY 30 22.599 14.841 -6.440
167 HA3 GLY 30 3HA GLY 30 21.244 15.848 -5.952
168 H VAL 31 H VAL 31 22.889 14.464 -4.144
169 HA VAL 31 HA VAL 31 21.945 11.978 -3.308
170 HB VAL 31 HB VAL 31 22.968 14.156 -1.485
171 HG11 VAL 31 1HG1 VAL 31 23.944 11.932 -0.434
172 HG12 VAL 31 2HG1 VAL 31 22.323 12.509 -0.042
173 HG13 VAL 31 3HG1 VAL 31 22.539 11.227 -1.234
174 HG21 VAL 31 1HG2 VAL 31 24.387 12.346 -3.394
175 HG22 VAL 31 2HG2 VAL 31 24.651 14.059 -3.068
176 HG23 VAL 31 3HG2 VAL 31 25.178 12.847 -1.900
177 H VAL 32 H VAL 32 20.819 15.234 -2.518
178 HA VAL 32 HA VAL 32 19.029 14.640 -0.483
179 HB VAL 32 HB VAL 32 18.676 16.727 -2.640
180 HG11 VAL 32 1HG1 VAL 32 17.536 17.846 -0.538
181 HG12 VAL 32 2HG1 VAL 32 16.639 16.761 -1.602
182 HG13 VAL 32 3HG1 VAL 32 17.284 16.164 -0.072
183 HG21 VAL 32 1HG2 VAL 32 20.191 16.742 -0.043
184 HG22 VAL 32 2HG2 VAL 32 20.785 17.119 -1.660
185 HG23 VAL 32 3HG2 VAL 32 19.677 18.224 -0.848
186 H THR 33 H THR 33 18.377 14.827 -3.982
187 HA THR 33 HA THR 33 15.688 14.163 -3.939
188 HB THR 33 HB THR 33 17.227 12.971 -6.160
189 HG1 THR 33 HG1 THR 33 18.382 14.688 -6.575
190 HG21 THR 33 1HG2 THR 33 15.574 14.768 -7.269
191 HG22 THR 33 2HG2 THR 33 14.758 14.545 -5.722
192 HG23 THR 33 3HG2 THR 33 15.047 13.160 -6.774
193 H ARG 34 H RSS 34 18.487 11.984 -4.229
194 HB2 ARG 34 2HB RSS 34 19.543 9.645 -4.724
195 HB3 ARG 34 3HB RSS 34 19.749 10.239 -3.082
196 HG2 ARG 34 2HG RSS 34 18.379 7.648 -3.328
197 HG3 ARG 34 3HG RSS 34 20.075 7.671 -3.813
198 HD2 ARG 34 2HD RSS 34 20.413 8.946 -1.567
199 HD3 ARG 34 3HD RSS 34 18.856 8.236 -1.144
200 HE ARG 34 HE RSS 34 19.907 6.233 -0.861
201 HH11 ARG 34 1HH2 RSS 34 21.651 4.762 -0.884
202 HH12 ARG 34 2HH2 RSS 34 23.099 5.171 -1.741
203 HH21 ARG 34 1HH1 RSS 34 21.927 8.285 -2.817
204 HH22 ARG 34 2HH1 RSS 34 23.257 7.175 -2.840
205 H ASN 35 H ASN 35 17.625 11.543 -1.640
206 HA ASN 35 HA ASN 35 16.692 9.491 0.169
207 HB2 ASN 35 2HB ASN 35 17.297 12.426 0.582
208 HB3 ASN 35 3HB ASN 35 16.810 11.327 1.869
209 HD21 ASN 35 1HD2 ASN 35 19.379 12.794 0.587
210 HD22 ASN 35 2HD2 ASN 35 20.621 11.657 0.975
211 H ALA 36 H ALA 36 15.438 12.485 -1.242
212 HA ALA 36 HA ALA 36 13.048 12.724 0.114
213 HB1 ALA 36 1HB ALA 36 12.868 13.249 -2.772
214 HB2 ALA 36 2HB ALA 36 12.544 14.309 -1.400
215 HB3 ALA 36 3HB ALA 36 14.202 14.049 -1.941
216 H ASN 37 H ASN 37 13.656 10.879 -2.872
217 HA ASN 37 HA ASN 37 11.089 9.894 -3.264
218 HB2 ASN 37 2HB ASN 37 13.819 8.919 -4.012
219 HB3 ASN 37 3HB ASN 37 12.427 7.881 -4.304
220 HD21 ASN 37 1HD2 ASN 37 11.830 7.995 -6.334
221 HD22 ASN 37 2HD2 ASN 37 11.765 9.424 -7.302
222 H ALA 38 H ALA 38 13.798 8.271 -1.605
223 HA ALA 38 HA ALA 38 12.419 6.016 -0.750
224 HB1 ALA 38 1HB ALA 38 14.164 5.913 1.063
225 HB2 ALA 38 2HB ALA 38 14.783 6.035 -0.584
226 HB3 ALA 38 3HB ALA 38 14.767 7.457 0.460
227 H ASN 39 H ASN 39 12.332 9.267 0.444
228 HA ASN 39 HA ASN 39 11.301 8.691 3.033
229 HB2 ASN 39 2HB ASN 39 12.019 11.021 1.522
230 HB3 ASN 39 3HB ASN 39 10.418 11.257 2.217
231 HD21 ASN 39 1HD2 ASN 39 13.453 11.989 2.749
232 HD22 ASN 39 2HD2 ASN 39 13.526 11.926 4.474
233 H VAL 40 H VAL 40 9.874 9.167 -0.125
234 HA VAL 40 HA VAL 40 7.180 9.398 0.847
235 HB VAL 40 HB VAL 40 8.145 8.788 -1.951
236 HG11 VAL 40 1HG1 VAL 40 5.958 8.311 -2.208
237 HG12 VAL 40 2HG1 VAL 40 5.488 9.177 -0.744
238 HG13 VAL 40 3HG1 VAL 40 5.783 10.065 -2.240
239 HG21 VAL 40 1HG2 VAL 40 9.071 10.872 -1.419
240 HG22 VAL 40 2HG2 VAL 40 7.573 11.263 -2.263
241 HG23 VAL 40 3HG2 VAL 40 7.648 11.372 -0.505
242 H ALA 41 H ALA 41 9.251 6.820 -0.320
243 HA ALA 41 HA ALA 41 7.113 4.886 -0.444
244 HB1 ALA 41 1HB ALA 41 8.891 4.600 -1.999
245 HB2 ALA 41 2HB ALA 41 10.101 4.633 -0.716
246 HB3 ALA 41 3HB ALA 41 8.989 3.271 -0.844
247 H LYS 42 H KSS 42 9.973 5.378 1.622
248 HB2 LYS 42 2HB KSS 42 11.029 4.443 4.896
249 HB3 LYS 42 3HB KSS 42 11.555 4.902 3.282
250 HG2 LYS 42 2HG KSS 42 11.522 6.964 4.183
251 HG3 LYS 42 3HG KSS 42 9.814 6.879 3.747
252 HD2 LYS 42 2HD KSS 42 9.134 6.674 5.906
253 HD3 LYS 42 3HD KSS 42 10.576 5.776 6.388
254 HE2 LYS 42 2HE KSS 42 11.265 8.461 5.613
255 HE3 LYS 42 3HE KSS 42 10.010 8.481 6.850
256 HZ1 LYS 42 1HZ KSS 42 12.745 8.008 7.173
257 HZ2 LYS 42 2HZ KSS 42 11.935 6.577 7.568
258 HZ3 LYS 42 3HZ KSS 42 11.540 8.018 8.361
259 H THR 43 H THR 43 7.917 6.326 3.203
260 HA THR 43 HA THR 43 6.588 5.925 5.751
261 HB THR 43 HB THR 43 6.140 8.048 3.644
262 HG1 THR 43 HG1 THR 43 8.039 8.610 4.472
263 HG21 THR 43 1HG2 THR 43 4.261 8.454 4.795
264 HG22 THR 43 2HG2 THR 43 5.314 9.034 6.086
265 HG23 THR 43 3HG2 THR 43 4.732 7.369 6.103
266 H ALA 44 H ALA 44 5.869 5.668 2.318
267 HA ALA 44 HA ALA 44 3.083 5.331 2.515
268 HB1 ALA 44 1HB ALA 44 3.272 4.275 0.276
269 HB2 ALA 44 2HB ALA 44 4.096 5.830 0.396
270 HB3 ALA 44 3HB ALA 44 5.027 4.333 0.439
Start of MODEL 17
1 H1 TRP 1 H TRP 1 1.433 0.056 0.813
2 HA TRP 1 HA TRP 1 3.152 -1.268 -0.589
3 HB2 TRP 1 2HB TRP 1 2.814 -1.139 -2.968
4 HB3 TRP 1 3HB TRP 1 1.363 -1.830 -2.247
5 HD1 TRP 1 HD1 TRP 1 -0.838 -0.243 -2.176
6 HE1 TRP 1 HE1 TRP 1 -1.531 1.735 -3.670
7 HE3 TRP 1 HE3 TRP 1 3.699 0.811 -4.283
8 HZ2 TRP 1 HZ2 TRP 1 -0.315 3.507 -5.500
9 HZ3 TRP 1 HZ3 TRP 1 3.848 2.662 -5.896
10 HH2 TRP 1 HH2 TRP 1 1.882 3.981 -6.492
11 H GLY 2 H GLY 2 4.948 -0.092 -1.148
12 HA2 GLY 2 2HA GLY 2 4.605 2.827 -1.396
13 HA3 GLY 2 3HA GLY 2 5.772 2.159 -0.264
14 H CYS 3 H CYS 3 5.080 2.895 -3.568
15 HA CYS 3 HA CYS 3 7.878 2.319 -4.239
16 HB2 CYS 3 2HB CYS 3 5.635 0.890 -5.242
17 HB3 CYS 3 3HB CYS 3 6.268 1.873 -6.559
18 H VAL 4 H VAL 4 8.777 4.182 -4.790
19 HA VAL 4 HA VAL 4 7.169 6.124 -6.320
20 HB VAL 4 HB VAL 4 7.745 6.899 -4.029
21 HG11 VAL 4 1HG1 VAL 4 10.281 5.844 -4.699
22 HG12 VAL 4 2HG1 VAL 4 10.476 7.582 -4.463
23 HG13 VAL 4 3HG1 VAL 4 9.773 6.590 -3.184
24 HG21 VAL 4 1HG2 VAL 4 7.528 8.374 -6.139
25 HG22 VAL 4 2HG2 VAL 4 8.215 9.082 -4.677
26 HG23 VAL 4 3HG2 VAL 4 9.274 8.568 -5.991
27 H CYS 5 H CYS 5 8.216 7.307 -7.962
28 HA CYS 5 HA CYS 5 10.893 6.399 -8.738
29 HB2 CYS 5 2HB CYS 5 8.559 6.527 -10.658
30 HB3 CYS 5 3HB CYS 5 10.209 6.047 -11.043
31 H SER 6 H SER 6 12.059 7.860 -10.032
32 HA SER 6 HA SER 6 11.107 10.615 -9.810
33 HB2 SER 6 2HB SER 6 13.339 10.113 -8.915
34 HB3 SER 6 3HB SER 6 13.853 9.539 -10.501
35 HG SER 6 HG SER 6 13.037 12.176 -9.836
36 H GLY 7 H GLY 7 9.636 9.523 -11.683
37 HA2 GLY 7 2HA GLY 7 10.370 10.950 -14.050
38 HA3 GLY 7 3HA GLY 7 10.524 9.213 -14.267
39 H SER 8 H SER 8 8.731 7.995 -14.600
40 HA SER 8 HA SER 8 6.167 9.447 -14.656
41 HB2 SER 8 2HB SER 8 7.424 8.269 -16.772
42 HB3 SER 8 3HB SER 8 6.374 6.961 -16.229
43 HG SER 8 HG SER 8 5.675 9.539 -17.131
44 H THR 9 H THR 9 4.248 7.849 -14.564
45 HA THR 9 HA THR 9 4.453 6.449 -12.062
46 HB THR 9 HB THR 9 2.030 6.205 -13.790
47 HG1 THR 9 HG1 THR 9 2.983 8.589 -12.577
48 HG21 THR 9 1HG2 THR 9 1.417 7.054 -11.192
49 HG22 THR 9 2HG2 THR 9 2.736 5.897 -11.014
50 HG23 THR 9 3HG2 THR 9 1.256 5.426 -11.850
51 H ALA 10 H ALA 10 4.368 5.596 -15.444
52 HA ALA 10 HA ALA 10 3.702 2.870 -15.180
53 HB1 ALA 10 1HB ALA 10 5.506 3.887 -17.342
54 HB2 ALA 10 2HB ALA 10 4.254 2.648 -17.425
55 HB3 ALA 10 3HB ALA 10 3.804 4.348 -17.294
56 H VAL 11 H VAL 11 6.748 4.605 -14.947
57 HA VAL 11 HA VAL 11 8.321 2.184 -14.813
58 HB VAL 11 HB VAL 11 9.334 4.135 -15.824
59 HG11 VAL 11 1HG1 VAL 11 8.187 5.918 -14.730
60 HG12 VAL 11 2HG1 VAL 11 8.837 5.448 -13.158
61 HG13 VAL 11 3HG1 VAL 11 9.908 6.108 -14.396
62 HG21 VAL 11 1HG2 VAL 11 10.738 3.794 -13.195
63 HG22 VAL 11 2HG2 VAL 11 10.664 2.486 -14.375
64 HG23 VAL 11 3HG2 VAL 11 11.433 4.014 -14.801
65 H ALA 12 H ALS 12 6.823 4.418 -12.605
66 HB1 ALA 12 1HB ALS 12 5.342 4.530 -10.460
67 HB2 ALA 12 2HB ALS 12 6.396 4.763 -9.064
68 HB3 ALA 12 3HB ALS 12 6.646 5.716 -10.527
69 H ASN 13 H ASN 13 5.341 2.323 -11.545
70 HA ASN 13 HA ASN 13 5.299 0.373 -9.428
71 HB2 ASN 13 2HB ASN 13 3.328 -0.473 -10.446
72 HB3 ASN 13 3HB ASN 13 3.259 1.275 -10.651
73 HD21 ASN 13 1HD2 ASN 13 3.781 2.156 -12.714
74 HD22 ASN 13 2HD2 ASN 13 3.578 1.208 -14.144
75 H SER 14 H SER 14 6.609 0.610 -12.630
76 HA SER 14 HA SER 14 6.855 -2.036 -13.382
77 HB2 SER 14 2HB SER 14 7.486 -0.193 -14.856
78 HB3 SER 14 3HB SER 14 8.842 0.211 -13.804
79 HG SER 14 HG SER 14 9.912 -1.537 -14.476
80 H HIS 15 H HIS 15 8.637 -0.248 -10.976
81 HA HIS 15 HA HIS 15 10.481 -2.487 -10.575
82 HB2 HIS 15 2HB HIS 15 10.739 0.324 -10.344
83 HB3 HIS 15 3HB HIS 15 10.910 -0.339 -8.722
84 HD1 HIS 15 HD1 HIS 15 12.637 -0.063 -11.981
85 HD2 HIS 15 HD2 HIS 15 13.134 -2.089 -8.388
86 HE1 HIS 15 HE1 HIS 15 14.996 -0.933 -12.020
87 H ASN 16 H NSS 16 8.575 -0.316 -8.476
88 HB2 ASN 16 2HB NSS 16 6.386 -2.295 -8.242
89 HB3 ASN 16 3HB NSS 16 6.952 -3.491 -7.079
90 HD21 ASN 16 1HD2 NSS 16 5.027 -0.580 -7.461
91 HD22 ASN 16 2HD2 NSS 16 4.008 -0.852 -6.092
92 H ALA 17 H ALA 17 7.297 -2.779 -4.769
93 HA ALA 17 HA ALA 17 9.682 -4.286 -4.406
94 HB1 ALA 17 1HB ALA 17 9.780 -2.767 -2.052
95 HB2 ALA 17 2HB ALA 17 10.968 -2.814 -3.355
96 HB3 ALA 17 3HB ALA 17 9.683 -1.607 -3.378
97 H GLY 18 H GLY 18 7.373 -2.641 -2.228
98 HA2 GLY 18 2HA GLY 18 5.601 -4.662 -1.756
99 HA3 GLY 18 3HA GLY 18 6.961 -5.050 -0.714
100 HA PRO 19 HA PRO 19 3.983 -1.988 1.315
101 HB2 PRO 19 2HB PRO 19 3.078 -3.641 3.269
102 HB3 PRO 19 3HB PRO 19 2.295 -3.500 1.691
103 HG2 PRO 19 2HG PRO 19 4.204 -5.584 2.679
104 HG3 PRO 19 3HG PRO 19 2.719 -5.786 1.731
105 HD2 PRO 19 2HD PRO 19 5.183 -5.843 0.610
106 HD3 PRO 19 3HD PRO 19 3.758 -5.225 -0.249
107 H ALA 20 H ALA 20 6.078 -4.486 2.720
108 HA ALA 20 HA ALA 20 6.799 -2.676 4.902
109 HB1 ALA 20 1HB ALA 20 6.229 -4.926 5.562
110 HB2 ALA 20 2HB ALA 20 7.436 -5.590 4.461
111 HB3 ALA 20 3HB ALA 20 7.944 -4.643 5.860
112 H TYR 21 H TYR 21 7.676 -2.386 2.046
113 HA TYR 21 HA TYR 21 10.564 -2.274 2.593
114 HB2 TYR 21 2HB TYR 21 9.198 -3.253 0.088
115 HB3 TYR 21 3HB TYR 21 10.882 -2.743 0.108
116 HD1 TYR 21 HD1 TYR 21 12.526 -4.315 0.545
117 HD2 TYR 21 HD2 TYR 21 8.552 -5.074 1.862
118 HE1 TYR 21 HE1 TYR 21 13.204 -6.564 1.276
119 HE2 TYR 21 HE2 TYR 21 9.219 -7.324 2.597
120 HH TYR 21 HH TYR 21 12.020 -8.287 3.264
121 H CYS 22 H CYS 22 11.572 -0.420 2.019
122 HA CYS 22 HA CYS 22 9.925 1.634 0.696
123 HB2 CYS 22 2HB CYS 22 12.067 1.927 2.808
124 HB3 CYS 22 3HB CYS 22 11.359 3.284 1.938
125 H VAL 23 H VAL 23 10.564 2.013 -1.313
126 HA VAL 23 HA VAL 23 13.452 1.950 -1.905
127 HB VAL 23 HB VAL 23 11.223 1.222 -3.810
128 HG11 VAL 23 1HG1 VAL 23 13.096 0.439 -5.242
129 HG12 VAL 23 2HG1 VAL 23 13.090 2.185 -4.980
130 HG13 VAL 23 3HG1 VAL 23 14.224 1.163 -4.096
131 HG21 VAL 23 1HG2 VAL 23 12.095 -1.071 -3.635
132 HG22 VAL 23 2HG2 VAL 23 13.211 -0.540 -2.377
133 HG23 VAL 23 3HG2 VAL 23 11.471 -0.480 -2.095
134 H GLY 24 H GLY 24 14.304 3.631 -3.041
135 HA2 GLY 24 2HA GLY 24 12.425 5.703 -3.986
136 HA3 GLY 24 3HA GLY 24 13.822 6.123 -3.006
137 H TYR 25 H TYR 25 12.653 5.680 -6.136
138 HA TYR 25 HA TYR 25 15.149 5.065 -7.411
139 HB2 TYR 25 2HB TYR 25 12.628 4.760 -8.220
140 HB3 TYR 25 3HB TYR 25 12.928 6.342 -8.930
141 HD1 TYR 25 HD1 TYR 25 14.425 2.929 -8.731
142 HD2 TYR 25 HD2 TYR 25 13.904 6.472 -11.029
143 HE1 TYR 25 HE1 TYR 25 15.552 1.853 -10.634
144 HE2 TYR 25 HE2 TYR 25 15.029 5.405 -12.939
145 HH TYR 25 HH TYR 25 16.247 3.636 -13.605
146 H CYS 26 H CYS 26 16.769 6.463 -7.501
147 HA CYS 26 HA CYS 26 16.144 9.310 -7.944
148 HB2 CYS 26 2HB CYS 26 18.523 8.214 -6.431
149 HB3 CYS 26 3HB CYS 26 18.094 9.910 -6.634
150 H GLY 27 H GLY 27 16.489 9.554 -10.083
151 HA2 GLY 27 2HA GLY 27 18.463 8.152 -11.561
152 HA3 GLY 27 3HA GLY 27 17.568 9.560 -12.112
153 H ASN 28 H ASN 28 19.236 10.665 -13.043
154 HA ASN 28 HA ASN 28 21.689 11.118 -11.563
155 HB2 ASN 28 2HB ASN 28 21.014 12.462 -14.161
156 HB3 ASN 28 3HB ASN 28 22.587 11.965 -13.547
157 HD21 ASN 28 1HD2 ASN 28 21.086 11.409 -16.077
158 HD22 ASN 28 2HD2 ASN 28 21.113 9.688 -16.229
159 H ASN 29 H ASN 29 19.867 12.160 -10.001
160 HA ASN 29 HA ASN 29 19.699 15.030 -10.604
161 HB2 ASN 29 2HB ASN 29 18.203 13.368 -8.564
162 HB3 ASN 29 3HB ASN 29 18.004 15.103 -8.792
163 HD21 ASN 29 1HD2 ASN 29 16.450 12.415 -9.297
164 HD22 ASN 29 2HD2 ASN 29 15.685 12.726 -10.815
165 H GLY 30 H GLY 30 20.217 12.935 -7.754
166 HA2 GLY 30 2HA GLY 30 22.661 13.745 -6.929
167 HA3 GLY 30 3HA GLY 30 21.625 15.054 -6.381
168 H VAL 31 H VAL 31 22.721 14.115 -4.334
169 HA VAL 31 HA VAL 31 21.721 11.679 -3.265
170 HB VAL 31 HB VAL 31 22.874 14.030 -1.759
171 HG11 VAL 31 1HG1 VAL 31 22.078 12.749 -0.061
172 HG12 VAL 31 2HG1 VAL 31 22.108 11.266 -1.018
173 HG13 VAL 31 3HG1 VAL 31 23.602 11.903 -0.329
174 HG21 VAL 31 1HG2 VAL 31 24.608 13.526 -3.172
175 HG22 VAL 31 2HG2 VAL 31 24.933 12.394 -1.859
176 HG23 VAL 31 3HG2 VAL 31 24.134 11.835 -3.329
177 H VAL 32 H VAL 32 20.748 15.059 -2.983
178 HA VAL 32 HA VAL 32 18.919 14.895 -0.914
179 HB VAL 32 HB VAL 32 18.657 16.570 -3.415
180 HG11 VAL 32 1HG1 VAL 32 16.727 17.251 -2.551
181 HG12 VAL 32 2HG1 VAL 32 16.979 16.280 -1.099
182 HG13 VAL 32 3HG1 VAL 32 17.627 17.919 -1.189
183 HG21 VAL 32 1HG2 VAL 32 20.217 16.909 -0.885
184 HG22 VAL 32 2HG2 VAL 32 20.721 17.179 -2.553
185 HG23 VAL 32 3HG2 VAL 32 19.632 18.321 -1.765
186 H THR 33 H THR 33 18.226 14.566 -4.398
187 HA THR 33 HA THR 33 15.528 13.918 -4.169
188 HB THR 33 HB THR 33 16.974 12.522 -6.330
189 HG1 THR 33 HG1 THR 33 18.320 14.232 -6.395
190 HG21 THR 33 1HG2 THR 33 14.415 13.493 -5.875
191 HG22 THR 33 2HG2 THR 33 15.049 12.893 -7.407
192 HG23 THR 33 3HG2 THR 33 15.097 14.618 -7.048
193 H ARG 34 H RSS 34 18.363 11.781 -4.266
194 HB2 ARG 34 2HB RSS 34 19.482 9.433 -4.513
195 HB3 ARG 34 3HB RSS 34 19.658 10.195 -2.938
196 HG2 ARG 34 2HG RSS 34 18.352 7.562 -2.918
197 HG3 ARG 34 3HG RSS 34 20.046 7.570 -3.412
198 HD2 ARG 34 2HD RSS 34 20.538 8.913 -1.348
199 HD3 ARG 34 3HD RSS 34 18.875 8.615 -0.842
200 HE ARG 34 HE RSS 34 20.014 6.148 -1.419
201 HH11 ARG 34 1HH2 RSS 34 20.829 4.792 0.224
202 HH12 ARG 34 2HH2 RSS 34 21.293 5.479 1.744
203 HH21 ARG 34 1HH1 RSS 34 20.467 8.756 0.843
204 HH22 ARG 34 2HH1 RSS 34 21.087 7.734 2.097
205 H ASN 35 H ASN 35 17.498 11.578 -1.647
206 HA ASN 35 HA ASN 35 16.592 9.696 0.350
207 HB2 ASN 35 2HB ASN 35 17.164 12.662 0.458
208 HB3 ASN 35 3HB ASN 35 16.638 11.718 1.849
209 HD21 ASN 35 1HD2 ASN 35 19.241 13.055 0.544
210 HD22 ASN 35 2HD2 ASN 35 20.470 11.960 1.070
211 H ALA 36 H ALA 36 15.297 12.559 -1.295
212 HA ALA 36 HA ALA 36 12.861 12.764 0.023
213 HB1 ALA 36 1HB ALA 36 12.295 14.287 -1.560
214 HB2 ALA 36 2HB ALA 36 14.021 14.187 -1.907
215 HB3 ALA 36 3HB ALA 36 12.870 13.284 -2.892
216 H ASN 37 H ASN 37 13.775 10.736 -2.726
217 HA ASN 37 HA ASN 37 11.201 9.744 -3.299
218 HB2 ASN 37 2HB ASN 37 13.976 8.714 -3.849
219 HB3 ASN 37 3HB ASN 37 12.547 7.803 -4.329
220 HD21 ASN 37 1HD2 ASN 37 11.474 8.372 -6.124
221 HD22 ASN 37 2HD2 ASN 37 11.881 9.720 -7.124
222 H ALA 38 H ALA 38 13.887 8.173 -1.551
223 HA ALA 38 HA ALA 38 12.488 5.929 -0.688
224 HB1 ALA 38 1HB ALA 38 14.881 7.371 0.393
225 HB2 ALA 38 2HB ALA 38 14.219 5.959 1.217
226 HB3 ALA 38 3HB ALA 38 14.800 5.820 -0.443
227 H ASN 39 H ASN 39 12.396 9.193 0.462
228 HA ASN 39 HA ASN 39 11.345 8.655 3.050
229 HB2 ASN 39 2HB ASN 39 11.604 11.076 1.316
230 HB3 ASN 39 3HB ASN 39 10.523 11.145 2.704
231 HD21 ASN 39 1HD2 ASN 39 12.825 12.717 2.388
232 HD22 ASN 39 2HD2 ASN 39 13.945 12.289 3.633
233 H VAL 40 H VAL 40 9.943 9.080 -0.125
234 HA VAL 40 HA VAL 40 7.242 9.328 0.822
235 HB VAL 40 HB VAL 40 8.162 8.618 -1.965
236 HG11 VAL 40 1HG1 VAL 40 5.577 9.620 -0.809
237 HG12 VAL 40 2HG1 VAL 40 5.971 9.800 -2.520
238 HG13 VAL 40 3HG1 VAL 40 5.859 8.192 -1.805
239 HG21 VAL 40 1HG2 VAL 40 7.416 11.311 -1.870
240 HG22 VAL 40 2HG2 VAL 40 8.471 11.064 -0.479
241 HG23 VAL 40 3HG2 VAL 40 9.038 10.658 -2.098
242 H ALA 41 H ALA 41 9.349 6.728 -0.164
243 HA ALA 41 HA ALA 41 7.206 4.789 -0.320
244 HB1 ALA 41 1HB ALA 41 8.892 3.199 -0.901
245 HB2 ALA 41 2HB ALA 41 9.231 4.693 -1.776
246 HB3 ALA 41 3HB ALA 41 10.174 4.275 -0.345
247 H LYS 42 H KSS 42 10.044 5.313 1.772
248 HB2 LYS 42 2HB KSS 42 11.057 4.435 5.075
249 HB3 LYS 42 3HB KSS 42 11.605 4.841 3.454
250 HG2 LYS 42 2HG KSS 42 10.370 6.966 3.596
251 HG3 LYS 42 3HG KSS 42 9.905 6.560 5.250
252 HD2 LYS 42 2HD KSS 42 12.778 6.680 4.365
253 HD3 LYS 42 3HD KSS 42 11.913 8.098 4.963
254 HE2 LYS 42 2HE KSS 42 11.320 6.348 6.912
255 HE3 LYS 42 3HE KSS 42 12.884 5.708 6.407
256 HZ1 LYS 42 1HZ KSS 42 12.493 8.575 7.024
257 HZ2 LYS 42 2HZ KSS 42 13.944 7.711 6.928
258 HZ3 LYS 42 3HZ KSS 42 12.888 7.449 8.223
259 H THR 43 H THR 43 7.973 6.314 3.279
260 HA THR 43 HA THR 43 6.595 5.965 5.823
261 HB THR 43 HB THR 43 6.272 8.147 3.753
262 HG1 THR 43 HG1 THR 43 8.367 7.929 4.929
263 HG21 THR 43 1HG2 THR 43 5.211 9.384 5.622
264 HG22 THR 43 2HG2 THR 43 5.293 7.919 6.601
265 HG23 THR 43 3HG2 THR 43 4.301 7.952 5.143
266 H ALA 44 H ALA 44 6.087 5.465 2.435
267 HA ALA 44 HA ALA 44 3.300 5.501 2.293
268 HB1 ALA 44 1HB ALA 44 3.672 3.816 0.399
269 HB2 ALA 44 2HB ALA 44 4.427 5.404 0.250
270 HB3 ALA 44 3HB ALA 44 5.392 4.012 0.743
Start of MODEL 18
1 H1 TRP 1 H TRP 1 0.697 -0.972 0.243
2 HA TRP 1 HA TRP 1 3.111 -0.853 -0.238
3 HB2 TRP 1 2HB TRP 1 3.004 -0.883 -2.709
4 HB3 TRP 1 3HB TRP 1 1.731 -1.855 -1.975
5 HD1 TRP 1 HD1 TRP 1 -0.780 -0.673 -1.940
6 HE1 TRP 1 HE1 TRP 1 -1.862 0.879 -3.685
7 HE3 TRP 1 HE3 TRP 1 3.437 0.857 -4.391
8 HZ2 TRP 1 HZ2 TRP 1 -1.037 2.533 -5.819
9 HZ3 TRP 1 HZ3 TRP 1 3.204 2.425 -6.274
10 HH2 TRP 1 HH2 TRP 1 1.012 3.244 -6.971
11 H GLY 2 H GLY 2 4.801 0.344 -1.374
12 HA2 GLY 2 2HA GLY 2 4.280 3.185 -1.810
13 HA3 GLY 2 3HA GLY 2 5.415 2.773 -0.533
14 H CYS 3 H CYS 3 4.986 3.267 -3.869
15 HA CYS 3 HA CYS 3 7.820 2.678 -4.316
16 HB2 CYS 3 2HB CYS 3 5.591 1.241 -5.484
17 HB3 CYS 3 3HB CYS 3 6.573 2.007 -6.729
18 H VAL 4 H VAL 4 8.728 4.506 -4.961
19 HA VAL 4 HA VAL 4 7.151 6.357 -6.627
20 HB VAL 4 HB VAL 4 7.790 7.284 -4.431
21 HG11 VAL 4 1HG1 VAL 4 9.826 6.101 -3.993
22 HG12 VAL 4 2HG1 VAL 4 10.597 6.800 -5.418
23 HG13 VAL 4 3HG1 VAL 4 10.191 7.825 -4.041
24 HG21 VAL 4 1HG2 VAL 4 7.538 8.724 -6.432
25 HG22 VAL 4 2HG2 VAL 4 8.662 9.380 -5.242
26 HG23 VAL 4 3HG2 VAL 4 9.277 8.602 -6.700
27 H CYS 5 H CYS 5 8.140 7.356 -8.399
28 HA CYS 5 HA CYS 5 10.794 6.388 -9.174
29 HB2 CYS 5 2HB CYS 5 8.438 6.351 -11.067
30 HB3 CYS 5 3HB CYS 5 10.068 5.765 -11.384
31 H SER 6 H SER 6 11.904 7.725 -10.643
32 HA SER 6 HA SER 6 10.998 10.493 -10.588
33 HB2 SER 6 2HB SER 6 13.296 10.058 -9.901
34 HB3 SER 6 3HB SER 6 13.635 9.275 -11.444
35 HG SER 6 HG SER 6 13.763 11.871 -10.829
36 H GLY 7 H GLY 7 9.295 9.381 -12.195
37 HA2 GLY 7 2HA GLY 7 9.792 10.588 -14.728
38 HA3 GLY 7 3HA GLY 7 9.899 8.837 -14.836
39 H SER 8 H SER 8 8.055 7.608 -14.749
40 HA SER 8 HA SER 8 5.519 9.105 -14.620
41 HB2 SER 8 2HB SER 8 6.573 7.646 -16.785
42 HB3 SER 8 3HB SER 8 5.279 6.650 -16.119
43 HG SER 8 HG SER 8 4.702 8.307 -17.753
44 H THR 9 H THR 9 3.625 7.431 -14.346
45 HA THR 9 HA THR 9 4.083 6.154 -11.810
46 HB THR 9 HB THR 9 1.593 5.399 -12.298
47 HG1 THR 9 HG1 THR 9 1.628 7.754 -13.844
48 HG21 THR 9 1HG2 THR 9 1.243 6.915 -10.705
49 HG22 THR 9 2HG2 THR 9 1.393 8.217 -11.885
50 HG23 THR 9 3HG2 THR 9 2.824 7.618 -11.045
51 H ALA 10 H ALA 10 3.469 5.112 -15.123
52 HA ALA 10 HA ALA 10 3.001 2.406 -14.697
53 HB1 ALA 10 1HB ALA 10 2.830 3.705 -16.867
54 HB2 ALA 10 2HB ALA 10 4.569 3.464 -17.032
55 HB3 ALA 10 3HB ALA 10 3.488 2.073 -16.978
56 H VAL 11 H VAL 11 6.038 4.182 -14.849
57 HA VAL 11 HA VAL 11 7.644 1.786 -14.701
58 HB VAL 11 HB VAL 11 8.505 3.714 -15.919
59 HG11 VAL 11 1HG1 VAL 11 9.215 5.740 -14.697
60 HG12 VAL 11 2HG1 VAL 11 7.466 5.504 -14.671
61 HG13 VAL 11 3HG1 VAL 11 8.431 5.112 -13.248
62 HG21 VAL 11 1HG2 VAL 11 10.673 3.424 -15.281
63 HG22 VAL 11 2HG2 VAL 11 10.312 3.614 -13.565
64 HG23 VAL 11 3HG2 VAL 11 9.939 2.096 -14.382
65 H ALA 12 H ALS 12 6.369 4.184 -12.511
66 HB1 ALA 12 1HB ALS 12 6.431 5.622 -10.515
67 HB2 ALA 12 2HB ALS 12 5.109 4.485 -10.252
68 HB3 ALA 12 3HB ALS 12 6.293 4.770 -8.977
69 H ASN 13 H ASN 13 4.934 2.227 -11.160
70 HA ASN 13 HA ASN 13 5.044 0.418 -8.930
71 HB2 ASN 13 2HB ASN 13 2.948 -0.350 -9.624
72 HB3 ASN 13 3HB ASN 13 2.946 1.330 -10.151
73 HD21 ASN 13 1HD2 ASN 13 3.367 1.774 -12.381
74 HD22 ASN 13 2HD2 ASN 13 2.988 0.593 -13.584
75 H SER 14 H SER 14 6.070 0.398 -12.242
76 HA SER 14 HA SER 14 6.189 -2.303 -12.819
77 HB2 SER 14 2HB SER 14 6.714 -0.658 -14.509
78 HB3 SER 14 3HB SER 14 8.111 -0.096 -13.591
79 HG SER 14 HG SER 14 8.204 -1.844 -15.438
80 H HIS 15 H HIS 15 8.196 -0.404 -10.699
81 HA HIS 15 HA HIS 15 10.054 -2.634 -10.326
82 HB2 HIS 15 2HB HIS 15 10.255 0.233 -10.127
83 HB3 HIS 15 3HB HIS 15 10.754 -0.511 -8.611
84 HD1 HIS 15 HD1 HIS 15 13.064 -1.441 -8.535
85 HD2 HIS 15 HD2 HIS 15 11.765 -0.771 -12.424
86 HE1 HIS 15 HE1 HIS 15 15.065 -1.873 -9.996
87 H ASN 16 H NSS 16 8.324 -0.348 -8.197
88 HB2 ASN 16 2HB NSS 16 6.161 -2.303 -7.686
89 HB3 ASN 16 3HB NSS 16 6.818 -3.439 -6.511
90 HD21 ASN 16 1HD2 NSS 16 4.570 -0.905 -7.090
91 HD22 ASN 16 2HD2 NSS 16 3.779 -0.961 -5.555
92 H ALA 17 H ALA 17 7.346 -2.610 -4.277
93 HA ALA 17 HA ALA 17 9.847 -4.005 -4.041
94 HB1 ALA 17 1HB ALA 17 9.911 -1.396 -3.198
95 HB2 ALA 17 2HB ALA 17 9.571 -2.277 -1.708
96 HB3 ALA 17 3HB ALA 17 10.999 -2.676 -2.662
97 H GLY 18 H GLY 18 7.387 -2.633 -1.838
98 HA2 GLY 18 2HA GLY 18 5.758 -4.702 -1.357
99 HA3 GLY 18 3HA GLY 18 7.191 -5.185 -0.462
100 HA PRO 19 HA PRO 19 4.380 -2.447 2.142
101 HB2 PRO 19 2HB PRO 19 3.826 -4.297 4.050
102 HB3 PRO 19 3HB PRO 19 2.845 -4.096 2.594
103 HG2 PRO 19 2HG PRO 19 4.984 -6.109 3.175
104 HG3 PRO 19 3HG PRO 19 3.408 -6.344 2.397
105 HD2 PRO 19 2HD PRO 19 5.712 -6.147 0.989
106 HD3 PRO 19 3HD PRO 19 4.156 -5.568 0.360
107 H ALA 20 H ALA 20 6.895 -4.793 2.931
108 HA ALA 20 HA ALA 20 7.753 -3.104 5.179
109 HB1 ALA 20 1HB ALA 20 8.577 -5.932 4.531
110 HB2 ALA 20 2HB ALA 20 8.995 -5.019 5.981
111 HB3 ALA 20 3HB ALA 20 7.319 -5.477 5.680
112 H TYR 21 H TYR 21 8.245 -2.649 2.252
113 HA TYR 21 HA TYR 21 11.155 -2.340 2.462
114 HB2 TYR 21 2HB TYR 21 9.665 -3.445 0.076
115 HB3 TYR 21 3HB TYR 21 11.342 -2.914 0.027
116 HD1 TYR 21 HD1 TYR 21 9.043 -5.375 1.576
117 HD2 TYR 21 HD2 TYR 21 13.084 -4.333 0.747
118 HE1 TYR 21 HE1 TYR 21 9.764 -7.608 2.313
119 HE2 TYR 21 HE2 TYR 21 13.816 -6.564 1.480
120 HH TYR 21 HH TYR 21 13.003 -8.383 2.931
121 H CYS 22 H CYS 22 12.030 -0.642 1.141
122 HA CYS 22 HA CYS 22 10.062 1.262 0.084
123 HB2 CYS 22 2HB CYS 22 12.220 1.840 2.111
124 HB3 CYS 22 3HB CYS 22 11.486 3.104 1.130
125 H VAL 23 H VAL 23 10.658 2.250 -1.766
126 HA VAL 23 HA VAL 23 13.466 2.079 -2.610
127 HB VAL 23 HB VAL 23 11.110 1.350 -4.356
128 HG11 VAL 23 1HG1 VAL 23 12.470 2.099 -5.979
129 HG12 VAL 23 2HG1 VAL 23 13.895 2.070 -4.938
130 HG13 VAL 23 3HG1 VAL 23 13.336 0.587 -5.711
131 HG21 VAL 23 1HG2 VAL 23 11.869 -0.332 -2.614
132 HG22 VAL 23 2HG2 VAL 23 11.861 -0.886 -4.288
133 HG23 VAL 23 3HG2 VAL 23 13.381 -0.434 -3.516
134 H GLY 24 H GLY 24 14.231 3.897 -3.519
135 HA2 GLY 24 2HA GLY 24 12.278 5.905 -4.446
136 HA3 GLY 24 3HA GLY 24 13.588 6.355 -3.363
137 H TYR 25 H TYR 25 12.638 5.900 -6.593
138 HA TYR 25 HA TYR 25 14.989 5.336 -7.927
139 HB2 TYR 25 2HB TYR 25 12.638 5.660 -8.885
140 HB3 TYR 25 3HB TYR 25 13.007 7.381 -8.919
141 HD1 TYR 25 HD1 TYR 25 13.020 4.455 -10.811
142 HD2 TYR 25 HD2 TYR 25 15.356 7.935 -10.079
143 HE1 TYR 25 HE1 TYR 25 14.119 4.169 -12.993
144 HE2 TYR 25 HE2 TYR 25 16.460 7.659 -12.260
145 HH TYR 25 HH TYR 25 15.308 5.617 -14.659
146 H CYS 26 H CYS 26 16.903 6.259 -7.625
147 HA CYS 26 HA CYS 26 17.065 9.190 -7.690
148 HB2 CYS 26 2HB CYS 26 18.457 7.363 -5.726
149 HB3 CYS 26 3HB CYS 26 18.900 9.048 -5.975
150 H GLY 27 H GLY 27 17.886 9.322 -9.733
151 HA2 GLY 27 2HA GLY 27 20.036 7.594 -10.598
152 HA3 GLY 27 3HA GLY 27 19.304 8.896 -11.523
153 H ASN 28 H ASN 28 20.598 10.548 -11.935
154 HA ASN 28 HA ASN 28 22.844 11.053 -10.096
155 HB2 ASN 28 2HB ASN 28 23.941 12.125 -12.097
156 HB3 ASN 28 3HB ASN 28 23.698 10.386 -12.230
157 HD21 ASN 28 1HD2 ASN 28 22.863 9.692 -14.054
158 HD22 ASN 28 2HD2 ASN 28 21.920 10.624 -15.163
159 H ASN 29 H ASN 29 20.439 12.141 -9.403
160 HA ASN 29 HA ASN 29 20.449 14.907 -10.354
161 HB2 ASN 29 2HB ASN 29 18.506 13.678 -8.399
162 HB3 ASN 29 3HB ASN 29 18.292 15.131 -9.371
163 HD21 ASN 29 1HD2 ASN 29 17.327 12.063 -9.084
164 HD22 ASN 29 2HD2 ASN 29 16.944 11.697 -10.728
165 H GLY 30 H GLY 30 21.058 12.980 -7.489
166 HA2 GLY 30 2HA GLY 30 22.900 14.296 -6.182
167 HA3 GLY 30 3HA GLY 30 21.561 15.401 -5.912
168 H VAL 31 H VAL 31 23.082 13.943 -3.932
169 HA VAL 31 HA VAL 31 21.892 11.655 -2.947
170 HB VAL 31 HB VAL 31 22.981 13.939 -1.295
171 HG11 VAL 31 1HG1 VAL 31 22.203 11.130 -0.677
172 HG12 VAL 31 2HG1 VAL 31 23.574 11.844 0.175
173 HG13 VAL 31 3HG1 VAL 31 21.982 12.598 0.275
174 HG21 VAL 31 1HG2 VAL 31 24.779 13.429 -2.625
175 HG22 VAL 31 2HG2 VAL 31 25.010 12.267 -1.319
176 HG23 VAL 31 3HG2 VAL 31 24.284 11.750 -2.840
177 H VAL 32 H VAL 32 20.925 15.025 -2.484
178 HA VAL 32 HA VAL 32 18.978 14.739 -0.548
179 HB VAL 32 HB VAL 32 18.851 16.572 -2.948
180 HG11 VAL 32 1HG1 VAL 32 17.284 16.377 -0.425
181 HG12 VAL 32 2HG1 VAL 32 17.628 17.976 -1.086
182 HG13 VAL 32 3HG1 VAL 32 16.754 16.789 -2.055
183 HG21 VAL 32 1HG2 VAL 32 20.418 16.624 -0.440
184 HG22 VAL 32 2HG2 VAL 32 20.800 17.284 -2.030
185 HG23 VAL 32 3HG2 VAL 32 19.697 18.147 -0.958
186 H THR 33 H THR 33 18.548 14.519 -4.078
187 HA THR 33 HA THR 33 15.826 13.970 -4.116
188 HB THR 33 HB THR 33 17.438 12.496 -6.106
189 HG1 THR 33 HG1 THR 33 18.813 14.134 -6.213
190 HG21 THR 33 1HG2 THR 33 14.873 13.367 -5.967
191 HG22 THR 33 2HG2 THR 33 15.717 13.013 -7.475
192 HG23 THR 33 3HG2 THR 33 15.616 14.673 -6.889
193 H ARG 34 H RSS 34 18.557 11.699 -3.959
194 HB2 ARG 34 2HB RSS 34 19.571 9.295 -4.107
195 HB3 ARG 34 3HB RSS 34 19.665 10.062 -2.528
196 HG2 ARG 34 2HG RSS 34 18.185 7.585 -2.408
197 HG3 ARG 34 3HG RSS 34 19.800 7.350 -3.078
198 HD2 ARG 34 2HD RSS 34 20.795 8.420 -1.152
199 HD3 ARG 34 3HD RSS 34 19.199 8.798 -0.503
200 HE ARG 34 HE RSS 34 19.474 6.010 -0.909
201 HH11 ARG 34 1HH2 RSS 34 19.742 4.641 0.896
202 HH12 ARG 34 2HH2 RSS 34 20.266 5.312 2.403
203 HH21 ARG 34 1HH1 RSS 34 20.478 8.589 1.202
204 HH22 ARG 34 2HH1 RSS 34 20.684 7.558 2.579
205 H ASN 35 H ASN 35 17.488 11.563 -1.412
206 HA ASN 35 HA ASN 35 16.336 9.747 0.519
207 HB2 ASN 35 2HB ASN 35 17.040 12.685 0.662
208 HB3 ASN 35 3HB ASN 35 16.380 11.768 2.013
209 HD21 ASN 35 1HD2 ASN 35 19.148 12.874 0.647
210 HD22 ASN 35 2HD2 ASN 35 20.279 11.772 1.347
211 H ALA 36 H ALA 36 15.317 12.626 -1.276
212 HA ALA 36 HA ALA 36 12.810 13.002 -0.141
213 HB1 ALA 36 1HB ALA 36 13.191 13.414 -3.072
214 HB2 ALA 36 2HB ALA 36 12.358 14.427 -1.892
215 HB3 ALA 36 3HB ALA 36 14.120 14.381 -1.927
216 H ASN 37 H ASN 37 13.738 10.950 -2.889
217 HA ASN 37 HA ASN 37 11.121 10.020 -3.438
218 HB2 ASN 37 2HB ASN 37 13.876 9.063 -4.165
219 HB3 ASN 37 3HB ASN 37 12.456 8.109 -4.584
220 HD21 ASN 37 1HD2 ASN 37 12.245 8.352 -6.702
221 HD22 ASN 37 2HD2 ASN 37 12.160 9.864 -7.534
222 H ALA 38 H ALA 38 13.866 8.403 -1.833
223 HA ALA 38 HA ALA 38 12.532 6.094 -1.049
224 HB1 ALA 38 1HB ALA 38 14.284 5.968 0.758
225 HB2 ALA 38 2HB ALA 38 14.895 6.151 -0.887
226 HB3 ALA 38 3HB ALA 38 14.857 7.539 0.199
227 H ASN 39 H ASN 39 12.385 9.301 0.252
228 HA ASN 39 HA ASN 39 11.364 8.612 2.819
229 HB2 ASN 39 2HB ASN 39 12.359 10.759 2.612
230 HB3 ASN 39 3HB ASN 39 11.363 11.168 1.218
231 HD21 ASN 39 1HD2 ASN 39 10.213 12.858 1.868
232 HD22 ASN 39 2HD2 ASN 39 9.223 12.910 3.283
233 H VAL 40 H VAL 40 9.928 9.249 -0.313
234 HA VAL 40 HA VAL 40 7.233 9.370 0.677
235 HB VAL 40 HB VAL 40 8.158 8.931 -2.165
236 HG11 VAL 40 1HG1 VAL 40 5.879 8.396 -2.062
237 HG12 VAL 40 2HG1 VAL 40 5.533 9.703 -0.927
238 HG13 VAL 40 3HG1 VAL 40 5.915 10.072 -2.609
239 HG21 VAL 40 1HG2 VAL 40 8.976 11.001 -2.072
240 HG22 VAL 40 2HG2 VAL 40 7.316 11.565 -1.884
241 HG23 VAL 40 3HG2 VAL 40 8.311 11.264 -0.460
242 H ALA 41 H ALA 41 9.376 6.900 -0.535
243 HA ALA 41 HA ALA 41 7.268 4.943 -0.848
244 HB1 ALA 41 1HB ALA 41 8.957 3.450 -1.590
245 HB2 ALA 41 2HB ALA 41 9.329 5.028 -2.285
246 HB3 ALA 41 3HB ALA 41 10.235 4.443 -0.889
247 H LYS 42 H KSS 42 10.096 5.338 1.284
248 HB2 LYS 42 2HB KSS 42 11.121 4.213 4.507
249 HB3 LYS 42 3HB KSS 42 11.662 4.763 2.927
250 HG2 LYS 42 2HG KSS 42 10.354 6.839 3.250
251 HG3 LYS 42 3HG KSS 42 9.951 6.289 4.878
252 HD2 LYS 42 2HD KSS 42 12.514 6.070 5.176
253 HD3 LYS 42 3HD KSS 42 12.604 7.127 3.765
254 HE2 LYS 42 2HE KSS 42 12.174 8.907 5.023
255 HE3 LYS 42 3HE KSS 42 10.691 8.168 5.624
256 HZ1 LYS 42 1HZ KSS 42 12.527 6.856 7.043
257 HZ2 LYS 42 2HZ KSS 42 11.770 8.272 7.575
258 HZ3 LYS 42 3HZ KSS 42 13.304 8.349 6.866
259 H THR 43 H THR 43 8.030 6.199 2.894
260 HA THR 43 HA THR 43 6.677 5.664 5.404
261 HB THR 43 HB THR 43 5.434 7.773 4.900
262 HG1 THR 43 HG1 THR 43 6.627 8.976 3.089
263 HG21 THR 43 1HG2 THR 43 8.281 7.473 5.380
264 HG22 THR 43 2HG2 THR 43 7.118 8.555 6.146
265 HG23 THR 43 3HG2 THR 43 7.897 9.024 4.635
266 H ALA 44 H ALA 44 5.956 5.644 1.953
267 HA ALA 44 HA ALA 44 3.167 5.076 2.312
268 HB1 ALA 44 1HB ALA 44 4.921 4.881 -0.133
269 HB2 ALA 44 2HB ALA 44 3.165 4.711 -0.127
270 HB3 ALA 44 3HB ALA 44 3.904 6.246 0.329
Start of MODEL 19
1 H1 TRP 1 H TRP 1 1.658 -1.573 -0.496
2 HA TRP 1 HA TRP 1 2.170 -0.433 -2.422
3 HB2 TRP 1 2HB TRP 1 -0.225 -0.011 -2.171
4 HB3 TRP 1 3HB TRP 1 0.112 1.403 -1.177
5 HD1 TRP 1 HD1 TRP 1 0.174 3.637 -2.429
6 HE1 TRP 1 HE1 TRP 1 0.366 4.362 -4.891
7 HE3 TRP 1 HE3 TRP 1 0.972 -0.940 -4.562
8 HZ2 TRP 1 HZ2 TRP 1 0.797 3.153 -7.405
9 HZ3 TRP 1 HZ3 TRP 1 1.264 -1.069 -7.002
10 HH2 TRP 1 HH2 TRP 1 1.178 0.936 -8.392
11 H GLY 2 H GLY 2 4.365 0.051 -1.682
12 HA2 GLY 2 2HA GLY 2 4.735 2.963 -1.383
13 HA3 GLY 2 3HA GLY 2 5.644 1.836 -0.386
14 H CYS 3 H CYS 3 5.212 3.130 -3.603
15 HA CYS 3 HA CYS 3 7.962 2.451 -4.232
16 HB2 CYS 3 2HB CYS 3 5.786 0.897 -5.237
17 HB3 CYS 3 3HB CYS 3 6.488 1.799 -6.577
18 H VAL 4 H VAL 4 8.836 4.262 -4.961
19 HA VAL 4 HA VAL 4 7.171 6.080 -6.580
20 HB VAL 4 HB VAL 4 7.728 7.029 -4.368
21 HG11 VAL 4 1HG1 VAL 4 10.096 7.701 -3.955
22 HG12 VAL 4 2HG1 VAL 4 9.818 5.959 -3.901
23 HG13 VAL 4 3HG1 VAL 4 10.567 6.691 -5.321
24 HG21 VAL 4 1HG2 VAL 4 8.455 9.170 -5.156
25 HG22 VAL 4 2HG2 VAL 4 9.196 8.449 -6.585
26 HG23 VAL 4 3HG2 VAL 4 7.442 8.443 -6.404
27 H CYS 5 H CYS 5 8.138 7.122 -8.337
28 HA CYS 5 HA CYS 5 10.849 6.279 -9.065
29 HB2 CYS 5 2HB CYS 5 8.541 6.167 -11.012
30 HB3 CYS 5 3HB CYS 5 10.195 5.628 -11.283
31 H SER 6 H SER 6 11.957 7.698 -10.423
32 HA SER 6 HA SER 6 10.929 10.415 -10.390
33 HB2 SER 6 2HB SER 6 13.233 10.052 -9.671
34 HB3 SER 6 3HB SER 6 13.625 9.317 -11.226
35 HG SER 6 HG SER 6 12.934 12.011 -10.692
36 H GLY 7 H GLY 7 9.250 9.484 -12.011
37 HA2 GLY 7 2HA GLY 7 9.784 10.651 -14.532
38 HA3 GLY 7 3HA GLY 7 9.904 8.902 -14.657
39 H SER 8 H SER 8 8.027 7.626 -14.092
40 HA SER 8 HA SER 8 5.491 9.090 -14.055
41 HB2 SER 8 2HB SER 8 6.469 8.013 -16.403
42 HB3 SER 8 3HB SER 8 5.401 6.743 -15.805
43 HG SER 8 HG SER 8 3.956 7.971 -16.757
44 H THR 9 H THR 9 3.639 7.321 -13.944
45 HA THR 9 HA THR 9 4.157 5.845 -11.531
46 HB THR 9 HB THR 9 1.619 5.177 -12.721
47 HG1 THR 9 HG1 THR 9 1.103 7.027 -13.590
48 HG21 THR 9 1HG2 THR 9 0.750 6.080 -10.662
49 HG22 THR 9 2HG2 THR 9 2.262 6.934 -10.351
50 HG23 THR 9 3HG2 THR 9 2.219 5.172 -10.304
51 H ALA 10 H ALA 10 3.509 5.065 -14.914
52 HA ALA 10 HA ALA 10 3.141 2.332 -14.747
53 HB1 ALA 10 1HB ALA 10 2.930 3.747 -16.799
54 HB2 ALA 10 2HB ALA 10 4.689 3.706 -16.935
55 HB3 ALA 10 3HB ALA 10 3.760 2.211 -17.046
56 H VAL 11 H VAL 11 6.158 4.168 -14.772
57 HA VAL 11 HA VAL 11 7.782 1.774 -14.722
58 HB VAL 11 HB VAL 11 8.655 3.702 -15.895
59 HG11 VAL 11 1HG1 VAL 11 9.335 5.732 -14.593
60 HG12 VAL 11 2HG1 VAL 11 7.592 5.509 -14.757
61 HG13 VAL 11 3HG1 VAL 11 8.396 5.102 -13.240
62 HG21 VAL 11 1HG2 VAL 11 10.494 3.804 -13.622
63 HG22 VAL 11 2HG2 VAL 11 10.051 2.170 -14.114
64 HG23 VAL 11 3HG2 VAL 11 10.771 3.278 -15.282
65 H ALA 12 H ALS 12 6.476 4.071 -12.455
66 HB1 ALA 12 1HB ALS 12 5.242 4.317 -10.197
67 HB2 ALA 12 2HB ALS 12 6.417 4.550 -8.901
68 HB3 ALA 12 3HB ALS 12 6.567 5.464 -10.402
69 H ASN 13 H ASN 13 5.105 2.052 -11.194
70 HA ASN 13 HA ASN 13 5.216 0.191 -9.004
71 HB2 ASN 13 2HB ASN 13 3.138 -0.593 -9.742
72 HB3 ASN 13 3HB ASN 13 3.114 1.106 -10.208
73 HD21 ASN 13 1HD2 ASN 13 3.462 1.647 -12.406
74 HD22 ASN 13 2HD2 ASN 13 3.140 0.501 -13.658
75 H SER 14 H SER 14 6.287 0.279 -12.297
76 HA SER 14 HA SER 14 6.438 -2.400 -12.960
77 HB2 SER 14 2HB SER 14 8.022 0.017 -13.708
78 HB3 SER 14 3HB SER 14 8.650 -1.564 -14.174
79 HG SER 14 HG SER 14 5.958 -1.036 -14.678
80 H HIS 15 H HIS 15 8.434 -0.541 -10.782
81 HA HIS 15 HA HIS 15 10.254 -2.806 -10.416
82 HB2 HIS 15 2HB HIS 15 10.773 -0.131 -10.559
83 HB3 HIS 15 3HB HIS 15 10.696 -0.372 -8.816
84 HD1 HIS 15 HD1 HIS 15 12.961 -0.615 -11.610
85 HD2 HIS 15 HD2 HIS 15 12.536 -2.534 -7.949
86 HE1 HIS 15 HE1 HIS 15 15.178 -1.716 -11.166
87 H ASN 16 H NSS 16 8.560 -0.479 -8.302
88 HB2 ASN 16 2HB NSS 16 6.370 -2.402 -7.780
89 HB3 ASN 16 3HB NSS 16 7.011 -3.537 -6.596
90 HD21 ASN 16 1HD2 NSS 16 4.880 -0.865 -7.149
91 HD22 ASN 16 2HD2 NSS 16 4.053 -0.943 -5.634
92 H ALA 17 H ALA 17 7.546 -2.697 -4.366
93 HA ALA 17 HA ALA 17 10.012 -4.140 -4.113
94 HB1 ALA 17 1HB ALA 17 11.238 -2.727 -2.920
95 HB2 ALA 17 2HB ALA 17 10.025 -1.482 -3.224
96 HB3 ALA 17 3HB ALA 17 9.920 -2.480 -1.774
97 H GLY 18 H GLY 18 7.456 -2.684 -2.083
98 HA2 GLY 18 2HA GLY 18 5.904 -4.801 -1.517
99 HA3 GLY 18 3HA GLY 18 7.295 -5.100 -0.486
100 HA PRO 19 HA PRO 19 4.137 -2.235 1.564
101 HB2 PRO 19 2HB PRO 19 3.341 -3.946 3.515
102 HB3 PRO 19 3HB PRO 19 2.545 -3.848 1.940
103 HG2 PRO 19 2HG PRO 19 4.580 -5.816 2.915
104 HG3 PRO 19 3HG PRO 19 3.107 -6.104 1.971
105 HD2 PRO 19 2HD PRO 19 5.566 -6.008 0.841
106 HD3 PRO 19 3HD PRO 19 4.103 -5.474 -0.010
107 H ALA 20 H ALA 20 6.379 -4.610 2.959
108 HA ALA 20 HA ALA 20 7.001 -2.761 5.140
109 HB1 ALA 20 1HB ALA 20 8.438 -5.304 5.093
110 HB2 ALA 20 2HB ALA 20 7.497 -4.554 6.383
111 HB3 ALA 20 3HB ALA 20 6.683 -5.477 5.120
112 H TYR 21 H TYR 21 7.855 -2.425 2.282
113 HA TYR 21 HA TYR 21 10.734 -2.155 2.820
114 HB2 TYR 21 2HB TYR 21 9.461 -3.085 0.240
115 HB3 TYR 21 3HB TYR 21 11.162 -2.670 0.419
116 HD1 TYR 21 HD1 TYR 21 8.540 -5.015 1.601
117 HD2 TYR 21 HD2 TYR 21 12.708 -4.249 1.227
118 HE1 TYR 21 HE1 TYR 21 9.021 -7.322 2.307
119 HE2 TYR 21 HE2 TYR 21 13.201 -6.554 1.931
120 HH TYR 21 HH TYR 21 10.592 -8.817 2.767
121 H CYS 22 H CYS 22 11.788 -0.550 1.357
122 HA CYS 22 HA CYS 22 9.976 1.508 0.340
123 HB2 CYS 22 2HB CYS 22 12.128 1.984 2.409
124 HB3 CYS 22 3HB CYS 22 11.350 3.270 1.492
125 H VAL 23 H VAL 23 10.631 2.248 -1.569
126 HA VAL 23 HA VAL 23 13.492 2.131 -2.238
127 HB VAL 23 HB VAL 23 11.252 1.235 -4.058
128 HG11 VAL 23 1HG1 VAL 23 12.767 2.172 -5.522
129 HG12 VAL 23 2HG1 VAL 23 14.156 1.770 -4.509
130 HG13 VAL 23 3HG1 VAL 23 13.343 0.507 -5.435
131 HG21 VAL 23 1HG2 VAL 23 11.926 -0.346 -2.226
132 HG22 VAL 23 2HG2 VAL 23 12.134 -0.969 -3.863
133 HG23 VAL 23 3HG2 VAL 23 13.532 -0.396 -2.954
134 H GLY 24 H GLY 24 14.261 3.921 -3.191
135 HA2 GLY 24 2HA GLY 24 12.307 5.836 -4.303
136 HA3 GLY 24 3HA GLY 24 13.592 6.361 -3.225
137 H TYR 25 H TYR 25 12.687 6.014 -6.408
138 HA TYR 25 HA TYR 25 15.180 5.382 -7.613
139 HB2 TYR 25 2HB TYR 25 12.816 5.292 -8.645
140 HB3 TYR 25 3HB TYR 25 13.027 7.015 -8.938
141 HD1 TYR 25 HD1 TYR 25 13.461 3.810 -10.295
142 HD2 TYR 25 HD2 TYR 25 15.288 7.650 -10.158
143 HE1 TYR 25 HE1 TYR 25 14.673 3.301 -12.374
144 HE2 TYR 25 HE2 TYR 25 16.504 7.152 -12.237
145 HH TYR 25 HH TYR 25 15.765 4.436 -14.194
146 H CYS 26 H CYS 26 16.920 6.604 -7.901
147 HA CYS 26 HA CYS 26 16.639 9.521 -7.964
148 HB2 CYS 26 2HB CYS 26 18.757 8.126 -6.320
149 HB3 CYS 26 3HB CYS 26 18.447 9.857 -6.410
150 H GLY 27 H GLY 27 17.226 9.838 -10.041
151 HA2 GLY 27 2HA GLY 27 19.314 8.331 -11.308
152 HA3 GLY 27 3HA GLY 27 18.462 9.709 -11.988
153 H ASN 28 H ASN 28 19.960 11.115 -12.633
154 HA ASN 28 HA ASN 28 22.342 11.536 -10.993
155 HB2 ASN 28 2HB ASN 28 22.400 11.171 -13.537
156 HB3 ASN 28 3HB ASN 28 21.786 12.817 -13.664
157 HD21 ASN 28 1HD2 ASN 28 23.441 13.973 -14.375
158 HD22 ASN 28 2HD2 ASN 28 25.015 14.017 -13.665
159 H ASN 29 H ASN 29 20.162 12.480 -9.712
160 HA ASN 29 HA ASN 29 20.038 15.359 -10.246
161 HB2 ASN 29 2HB ASN 29 18.376 13.692 -8.344
162 HB3 ASN 29 3HB ASN 29 18.109 15.384 -8.750
163 HD21 ASN 29 1HD2 ASN 29 17.862 12.100 -9.830
164 HD22 ASN 29 2HD2 ASN 29 16.869 12.412 -11.209
165 H GLY 30 H GLY 30 20.906 13.023 -7.750
166 HA2 GLY 30 2HA GLY 30 22.987 13.972 -6.539
167 HA3 GLY 30 3HA GLY 30 21.855 15.221 -6.040
168 H VAL 31 H VAL 31 23.153 13.829 -4.119
169 HA VAL 31 HA VAL 31 21.956 11.475 -3.205
170 HB VAL 31 HB VAL 31 23.172 13.671 -1.524
171 HG11 VAL 31 1HG1 VAL 31 22.598 10.768 -0.963
172 HG12 VAL 31 2HG1 VAL 31 23.665 11.764 0.029
173 HG13 VAL 31 3HG1 VAL 31 21.957 12.178 -0.120
174 HG21 VAL 31 1HG2 VAL 31 25.143 13.124 -2.387
175 HG22 VAL 31 2HG2 VAL 31 24.908 11.450 -1.882
176 HG23 VAL 31 3HG2 VAL 31 24.355 11.978 -3.472
177 H VAL 32 H VAL 32 20.975 14.817 -2.911
178 HA VAL 32 HA VAL 32 19.137 14.617 -0.822
179 HB VAL 32 HB VAL 32 18.927 16.386 -3.262
180 HG11 VAL 32 1HG1 VAL 32 17.903 17.747 -1.100
181 HG12 VAL 32 2HG1 VAL 32 16.961 16.945 -2.358
182 HG13 VAL 32 3HG1 VAL 32 17.320 16.102 -0.850
183 HG21 VAL 32 1HG2 VAL 32 20.530 16.570 -0.752
184 HG22 VAL 32 2HG2 VAL 32 20.984 16.970 -2.409
185 HG23 VAL 32 3HG2 VAL 32 19.923 18.047 -1.501
186 H THR 33 H THR 33 18.493 14.454 -4.327
187 HA THR 33 HA THR 33 15.792 13.860 -4.211
188 HB THR 33 HB THR 33 17.498 12.537 -6.289
189 HG1 THR 33 HG1 THR 33 18.449 14.455 -6.462
190 HG21 THR 33 1HG2 THR 33 15.674 13.228 -7.760
191 HG22 THR 33 2HG2 THR 33 14.895 14.065 -6.417
192 HG23 THR 33 3HG2 THR 33 15.056 12.310 -6.389
193 H ARG 34 H RSS 34 18.553 11.629 -4.174
194 HB2 ARG 34 2HB RSS 34 19.607 9.246 -4.369
195 HB3 ARG 34 3HB RSS 34 19.722 10.000 -2.784
196 HG2 ARG 34 2HG RSS 34 18.309 7.447 -2.759
197 HG3 ARG 34 3HG RSS 34 19.984 7.332 -3.301
198 HD2 ARG 34 2HD RSS 34 19.512 9.009 -0.923
199 HD3 ARG 34 3HD RSS 34 19.227 7.282 -0.712
200 HE ARG 34 HE RSS 34 21.724 7.849 -1.992
201 HH11 ARG 34 1HH2 RSS 34 23.639 7.403 -0.836
202 HH12 ARG 34 2HH2 RSS 34 23.563 7.156 0.876
203 HH21 ARG 34 1HH1 RSS 34 20.102 7.614 1.079
204 HH22 ARG 34 2HH1 RSS 34 21.551 7.274 1.966
205 H ASN 35 H ASN 35 17.568 11.438 -1.593
206 HA ASN 35 HA ASN 35 16.472 9.583 0.333
207 HB2 ASN 35 2HB ASN 35 17.135 12.529 0.523
208 HB3 ASN 35 3HB ASN 35 16.558 11.554 1.871
209 HD21 ASN 35 1HD2 ASN 35 19.218 12.872 0.644
210 HD22 ASN 35 2HD2 ASN 35 20.413 11.743 1.175
211 H ALA 36 H ALA 36 15.401 12.529 -1.329
212 HA ALA 36 HA ALA 36 12.931 12.884 -0.153
213 HB1 ALA 36 1HB ALA 36 12.668 14.468 -1.703
214 HB2 ALA 36 2HB ALA 36 14.279 14.018 -2.263
215 HB3 ALA 36 3HB ALA 36 12.853 13.321 -3.031
216 H ASN 37 H ASN 37 13.739 10.835 -2.945
217 HA ASN 37 HA ASN 37 11.125 9.902 -3.417
218 HB2 ASN 37 2HB ASN 37 13.841 8.776 -4.092
219 HB3 ASN 37 3HB ASN 37 12.347 7.981 -4.578
220 HD21 ASN 37 1HD2 ASN 37 11.641 8.470 -6.516
221 HD22 ASN 37 2HD2 ASN 37 11.970 9.926 -7.386
222 H ALA 38 H ALA 38 13.847 8.317 -1.745
223 HA ALA 38 HA ALA 38 12.496 6.037 -0.903
224 HB1 ALA 38 1HB ALA 38 14.750 7.483 0.485
225 HB2 ALA 38 2HB ALA 38 14.244 5.823 0.801
226 HB3 ALA 38 3HB ALA 38 14.914 6.255 -0.771
227 H ASN 39 H ASN 39 12.358 9.285 0.298
228 HA ASN 39 HA ASN 39 11.317 8.686 2.877
229 HB2 ASN 39 2HB ASN 39 11.691 11.112 1.218
230 HB3 ASN 39 3HB ASN 39 10.424 11.198 2.438
231 HD21 ASN 39 1HD2 ASN 39 13.515 11.934 1.901
232 HD22 ASN 39 2HD2 ASN 39 14.150 11.831 3.504
233 H VAL 40 H VAL 40 9.907 9.162 -0.288
234 HA VAL 40 HA VAL 40 7.204 9.360 0.664
235 HB VAL 40 HB VAL 40 8.168 8.743 -2.131
236 HG11 VAL 40 1HG1 VAL 40 6.002 8.436 -2.542
237 HG12 VAL 40 2HG1 VAL 40 5.547 8.990 -0.929
238 HG13 VAL 40 3HG1 VAL 40 5.781 10.157 -2.231
239 HG21 VAL 40 1HG2 VAL 40 9.074 10.804 -1.939
240 HG22 VAL 40 2HG2 VAL 40 7.414 11.324 -2.231
241 HG23 VAL 40 3HG2 VAL 40 8.040 11.252 -0.583
242 H ALA 41 H ALA 41 9.320 6.805 -0.455
243 HA ALA 41 HA ALA 41 7.200 4.848 -0.611
244 HB1 ALA 41 1HB ALA 41 10.136 4.227 -0.611
245 HB2 ALA 41 2HB ALA 41 8.816 3.341 -1.378
246 HB3 ALA 41 3HB ALA 41 9.329 4.898 -2.029
247 H LYS 42 H KSS 42 10.051 5.354 1.466
248 HB2 LYS 42 2HB KSS 42 11.101 4.418 4.742
249 HB3 LYS 42 3HB KSS 42 11.632 4.875 3.129
250 HG2 LYS 42 2HG KSS 42 11.588 6.944 4.001
251 HG3 LYS 42 3HG KSS 42 9.870 6.846 3.609
252 HD2 LYS 42 2HD KSS 42 9.927 7.596 5.830
253 HD3 LYS 42 3HD KSS 42 9.575 5.871 5.955
254 HE2 LYS 42 2HE KSS 42 11.296 5.741 7.364
255 HE3 LYS 42 3HE KSS 42 12.342 5.997 5.968
256 HZ1 LYS 42 1HZ KSS 42 12.566 8.238 6.445
257 HZ2 LYS 42 2HZ KSS 42 12.597 7.533 7.982
258 HZ3 LYS 42 3HZ KSS 42 11.189 8.287 7.426
259 H THR 43 H THR 43 7.969 6.278 3.017
260 HA THR 43 HA THR 43 6.651 5.903 5.575
261 HB THR 43 HB THR 43 6.066 7.975 3.453
262 HG1 THR 43 HG1 THR 43 7.924 7.913 5.592
263 HG21 THR 43 1HG2 THR 43 4.370 7.452 5.320
264 HG22 THR 43 2HG2 THR 43 4.845 9.133 5.078
265 HG23 THR 43 3HG2 THR 43 5.544 8.200 6.401
266 H ALA 44 H ALA 44 5.872 5.691 2.137
267 HA ALA 44 HA ALA 44 3.110 5.028 2.630
268 HB1 ALA 44 1HB ALA 44 2.979 4.716 0.200
269 HB2 ALA 44 2HB ALA 44 3.710 6.264 0.627
270 HB3 ALA 44 3HB ALA 44 4.727 4.928 0.086
Start of MODEL 20
1 H1 TRP 1 H TRP 1 0.834 0.528 0.564
2 HA TRP 1 HA TRP 1 3.144 -0.963 -0.484
3 HB2 TRP 1 2HB TRP 1 0.617 0.006 -1.691
4 HB3 TRP 1 3HB TRP 1 2.056 0.129 -2.700
5 HD1 TRP 1 HD1 TRP 1 1.125 -2.759 -0.288
6 HE1 TRP 1 HE1 TRP 1 1.046 -4.939 -1.655
7 HE3 TRP 1 HE3 TRP 1 1.963 -0.827 -4.947
8 HZ2 TRP 1 HZ2 TRP 1 1.306 -5.734 -4.351
9 HZ3 TRP 1 HZ3 TRP 1 2.033 -2.364 -6.866
10 HH2 TRP 1 HH2 TRP 1 1.712 -4.767 -6.573
11 H GLY 2 H GLY 2 4.976 0.097 -0.877
12 HA2 GLY 2 2HA GLY 2 4.842 3.024 -1.241
13 HA3 GLY 2 3HA GLY 2 6.024 2.293 -0.165
14 H CYS 3 H CYS 3 5.345 3.269 -3.338
15 HA CYS 3 HA CYS 3 7.988 2.394 -4.192
16 HB2 CYS 3 2HB CYS 3 5.735 0.939 -4.947
17 HB3 CYS 3 3HB CYS 3 6.069 1.969 -6.335
18 H VAL 4 H VAL 4 8.970 4.128 -4.969
19 HA VAL 4 HA VAL 4 7.386 6.082 -6.504
20 HB VAL 4 HB VAL 4 7.957 6.949 -4.244
21 HG11 VAL 4 1HG1 VAL 4 10.474 5.818 -4.836
22 HG12 VAL 4 2HG1 VAL 4 10.706 7.563 -4.703
23 HG13 VAL 4 3HG1 VAL 4 9.978 6.665 -3.371
24 HG21 VAL 4 1HG2 VAL 4 8.424 9.087 -4.991
25 HG22 VAL 4 2HG2 VAL 4 9.540 8.522 -6.235
26 HG23 VAL 4 3HG2 VAL 4 7.802 8.317 -6.451
27 H CYS 5 H CYS 5 8.467 7.162 -8.192
28 HA CYS 5 HA CYS 5 11.134 6.171 -8.896
29 HB2 CYS 5 2HB CYS 5 8.836 6.265 -10.859
30 HB3 CYS 5 3HB CYS 5 10.474 5.703 -11.178
31 H SER 6 H SER 6 12.408 7.609 -10.009
32 HA SER 6 HA SER 6 11.579 10.368 -9.902
33 HB2 SER 6 2HB SER 6 13.843 9.863 -9.245
34 HB3 SER 6 3HB SER 6 14.160 9.054 -10.779
35 HG SER 6 HG SER 6 13.478 11.797 -10.543
36 H GLY 7 H GLY 7 9.811 9.984 -11.499
37 HA2 GLY 7 2HA GLY 7 10.375 11.166 -13.949
38 HA3 GLY 7 3HA GLY 7 10.401 9.430 -14.219
39 H SER 8 H SER 8 8.474 8.215 -13.847
40 HA SER 8 HA SER 8 6.015 9.794 -13.599
41 HB2 SER 8 2HB SER 8 6.804 8.029 -15.893
42 HB3 SER 8 3HB SER 8 5.103 8.196 -15.461
43 HG SER 8 HG SER 8 6.647 9.883 -16.841
44 H THR 9 H THR 9 4.068 8.176 -13.559
45 HA THR 9 HA THR 9 4.536 6.432 -11.332
46 HB THR 9 HB THR 9 2.079 5.871 -11.631
47 HG1 THR 9 HG1 THR 9 1.795 6.366 -13.801
48 HG21 THR 9 1HG2 THR 9 3.263 7.951 -10.389
49 HG22 THR 9 2HG2 THR 9 1.524 7.660 -10.357
50 HG23 THR 9 3HG2 THR 9 2.204 8.818 -11.500
51 H ALA 10 H ALA 10 3.789 6.012 -14.759
52 HA ALA 10 HA ALA 10 3.265 3.303 -14.849
53 HB1 ALA 10 1HB ALA 10 2.940 4.372 -16.863
54 HB2 ALA 10 2HB ALA 10 4.492 5.208 -16.793
55 HB3 ALA 10 3HB ALA 10 4.434 3.487 -17.172
56 H VAL 11 H VAL 11 6.383 4.949 -14.708
57 HA VAL 11 HA VAL 11 7.865 2.474 -14.926
58 HB VAL 11 HB VAL 11 8.849 4.462 -15.894
59 HG11 VAL 11 1HG1 VAL 11 9.639 6.304 -14.403
60 HG12 VAL 11 2HG1 VAL 11 7.884 6.188 -14.549
61 HG13 VAL 11 3HG1 VAL 11 8.692 5.584 -13.102
62 HG21 VAL 11 1HG2 VAL 11 10.678 4.193 -13.617
63 HG22 VAL 11 2HG2 VAL 11 10.158 2.664 -14.326
64 HG23 VAL 11 3HG2 VAL 11 10.945 3.880 -15.332
65 H ALA 12 H ALS 12 6.711 4.599 -12.417
66 HB1 ALA 12 1HB ALS 12 5.541 4.759 -10.135
67 HB2 ALA 12 2HB ALS 12 6.729 4.724 -8.831
68 HB3 ALA 12 3HB ALS 12 6.981 5.774 -10.226
69 H ASN 13 H ASN 13 5.119 2.674 -11.273
70 HA ASN 13 HA ASN 13 5.008 0.612 -9.305
71 HB2 ASN 13 2HB ASN 13 2.903 0.082 -10.181
72 HB3 ASN 13 3HB ASN 13 3.053 1.805 -10.511
73 HD21 ASN 13 1HD2 ASN 13 3.448 2.496 -12.631
74 HD22 ASN 13 2HD2 ASN 13 3.120 1.477 -13.987
75 H SER 14 H SER 14 6.230 0.846 -12.538
76 HA SER 14 HA SER 14 6.170 -1.783 -13.396
77 HB2 SER 14 2HB SER 14 6.946 0.154 -14.758
78 HB3 SER 14 3HB SER 14 8.443 0.171 -13.826
79 HG SER 14 HG SER 14 7.525 -1.706 -15.698
80 H HIS 15 H HIS 15 8.233 -0.265 -11.023
81 HA HIS 15 HA HIS 15 9.793 -2.735 -10.743
82 HB2 HIS 15 2HB HIS 15 10.396 0.073 -10.437
83 HB3 HIS 15 3HB HIS 15 10.783 -0.802 -8.958
84 HD1 HIS 15 HD1 HIS 15 12.913 -2.108 -8.945
85 HD2 HIS 15 HD2 HIS 15 11.774 -0.976 -12.776
86 HE1 HIS 15 HE1 HIS 15 14.840 -2.739 -10.433
87 H ASN 16 H NSS 16 8.328 -0.290 -8.591
88 HB2 ASN 16 2HB NSS 16 5.940 -1.985 -8.156
89 HB3 ASN 16 3HB NSS 16 6.435 -3.208 -6.989
90 HD21 ASN 16 1HD2 NSS 16 4.710 -0.214 -7.447
91 HD22 ASN 16 2HD2 NSS 16 3.809 -0.280 -5.974
92 H ALA 17 H ALA 17 7.010 -2.481 -4.731
93 HA ALA 17 HA ALA 17 9.233 -4.241 -4.464
94 HB1 ALA 17 1HB ALA 17 9.276 -1.647 -2.960
95 HB2 ALA 17 2HB ALA 17 10.072 -3.090 -2.329
96 HB3 ALA 17 3HB ALA 17 10.567 -2.418 -3.883
97 H GLY 18 H GLY 18 6.968 -2.337 -2.462
98 HA2 GLY 18 2HA GLY 18 5.096 -4.085 -1.771
99 HA3 GLY 18 3HA GLY 18 6.445 -4.692 -0.821
100 HA PRO 19 HA PRO 19 4.075 -1.242 1.401
101 HB2 PRO 19 2HB PRO 19 2.957 -2.775 3.343
102 HB3 PRO 19 3HB PRO 19 2.161 -2.449 1.799
103 HG2 PRO 19 2HG PRO 19 3.706 -4.864 2.660
104 HG3 PRO 19 3HG PRO 19 2.180 -4.774 1.762
105 HD2 PRO 19 2HD PRO 19 4.559 -5.222 0.550
106 HD3 PRO 19 3HD PRO 19 3.237 -4.337 -0.239
107 H ALA 20 H ALA 20 5.904 -4.049 2.504
108 HA ALA 20 HA ALA 20 6.902 -2.536 4.806
109 HB1 ALA 20 1HB ALA 20 6.069 -4.805 5.219
110 HB2 ALA 20 2HB ALA 20 7.287 -5.446 4.114
111 HB3 ALA 20 3HB ALA 20 7.783 -4.653 5.609
112 H TYR 21 H TYR 21 7.685 -2.097 1.941
113 HA TYR 21 HA TYR 21 10.581 -2.248 2.378
114 HB2 TYR 21 2HB TYR 21 9.196 -2.997 -0.205
115 HB3 TYR 21 3HB TYR 21 10.937 -2.886 0.025
116 HD1 TYR 21 HD1 TYR 21 7.933 -4.864 0.688
117 HD2 TYR 21 HD2 TYR 21 12.134 -4.581 1.304
118 HE1 TYR 21 HE1 TYR 21 7.981 -7.218 1.397
119 HE2 TYR 21 HE2 TYR 21 12.194 -6.935 2.014
120 HH TYR 21 HH TYR 21 10.751 -9.019 1.607
121 H CYS 22 H CYS 22 11.712 -0.488 1.705
122 HA CYS 22 HA CYS 22 10.158 1.667 0.429
123 HB2 CYS 22 2HB CYS 22 12.368 1.814 2.484
124 HB3 CYS 22 3HB CYS 22 11.781 3.216 1.595
125 H VAL 23 H VAL 23 10.794 2.186 -1.548
126 HA VAL 23 HA VAL 23 13.639 1.921 -2.244
127 HB VAL 23 HB VAL 23 11.332 1.083 -4.006
128 HG11 VAL 23 1HG1 VAL 23 12.750 1.640 -5.651
129 HG12 VAL 23 2HG1 VAL 23 14.134 1.728 -4.560
130 HG13 VAL 23 3HG1 VAL 23 13.608 0.168 -5.195
131 HG21 VAL 23 1HG2 VAL 23 13.208 -0.392 -2.250
132 HG22 VAL 23 2HG2 VAL 23 11.536 -0.753 -2.680
133 HG23 VAL 23 3HG2 VAL 23 12.835 -1.111 -3.817
134 H GLY 24 H GLY 24 14.381 3.871 -2.746
135 HA2 GLY 24 2HA GLY 24 12.539 5.777 -4.046
136 HA3 GLY 24 3HA GLY 24 13.892 6.240 -3.024
137 H TYR 25 H TYR 25 12.862 5.432 -6.198
138 HA TYR 25 HA TYR 25 15.526 5.144 -7.276
139 HB2 TYR 25 2HB TYR 25 13.272 4.104 -8.131
140 HB3 TYR 25 3HB TYR 25 13.111 5.638 -8.978
141 HD1 TYR 25 HD1 TYR 25 15.431 2.763 -8.522
142 HD2 TYR 25 HD2 TYR 25 14.180 5.966 -11.029
143 HE1 TYR 25 HE1 TYR 25 16.880 1.915 -10.319
144 HE2 TYR 25 HE2 TYR 25 15.625 5.125 -12.833
145 HH TYR 25 HH TYR 25 17.698 2.285 -12.355
146 H CYS 26 H CYS 26 16.793 6.870 -7.432
147 HA CYS 26 HA CYS 26 15.593 9.470 -8.086
148 HB2 CYS 26 2HB CYS 26 18.362 8.889 -7.016
149 HB3 CYS 26 3HB CYS 26 17.618 10.474 -7.196
150 H GLY 27 H GLY 27 18.628 7.716 -8.783
151 HA2 GLY 27 2HA GLY 27 19.229 7.183 -11.070
152 HA3 GLY 27 3HA GLY 27 18.390 8.642 -11.574
153 H ASN 28 H ASN 28 19.490 10.527 -11.699
154 HA ASN 28 HA ASN 28 22.114 10.743 -10.443
155 HB2 ASN 28 2HB ASN 28 22.367 9.770 -12.783
156 HB3 ASN 28 3HB ASN 28 21.788 11.320 -13.388
157 HD21 ASN 28 1HD2 ASN 28 24.108 10.748 -14.320
158 HD22 ASN 28 2HD2 ASN 28 25.395 11.570 -13.511
159 H ASN 29 H ASN 29 19.560 12.021 -9.990
160 HA ASN 29 HA ASN 29 19.789 14.697 -11.070
161 HB2 ASN 29 2HB ASN 29 17.886 13.617 -8.979
162 HB3 ASN 29 3HB ASN 29 17.747 15.162 -9.812
163 HD21 ASN 29 1HD2 ASN 29 15.889 12.924 -9.711
164 HD22 ASN 29 2HD2 ASN 29 15.621 12.448 -11.350
165 H GLY 30 H GLY 30 20.639 12.981 -8.171
166 HA2 GLY 30 2HA GLY 30 22.572 14.403 -7.124
167 HA3 GLY 30 3HA GLY 30 21.233 15.483 -6.762
168 H VAL 31 H VAL 31 22.755 14.526 -4.719
169 HA VAL 31 HA VAL 31 21.836 12.124 -3.558
170 HB VAL 31 HB VAL 31 22.972 14.537 -2.139
171 HG11 VAL 31 1HG1 VAL 31 22.579 11.669 -1.338
172 HG12 VAL 31 2HG1 VAL 31 23.760 12.711 -0.541
173 HG13 VAL 31 3HG1 VAL 31 22.046 13.129 -0.504
174 HG21 VAL 31 1HG2 VAL 31 24.607 13.995 -3.700
175 HG22 VAL 31 2HG2 VAL 31 25.097 13.076 -2.277
176 HG23 VAL 31 3HG2 VAL 31 24.265 12.267 -3.606
177 H VAL 32 H VAL 32 20.837 15.499 -3.143
178 HA VAL 32 HA VAL 32 19.053 15.238 -1.055
179 HB VAL 32 HB VAL 32 18.745 17.006 -3.486
180 HG11 VAL 32 1HG1 VAL 32 16.708 17.320 -2.558
181 HG12 VAL 32 2HG1 VAL 32 17.222 16.750 -0.969
182 HG13 VAL 32 3HG1 VAL 32 17.611 18.391 -1.486
183 HG21 VAL 32 1HG2 VAL 32 19.666 18.235 -1.020
184 HG22 VAL 32 2HG2 VAL 32 20.773 16.997 -1.612
185 HG23 VAL 32 3HG2 VAL 32 20.323 18.348 -2.652
186 H THR 33 H THR 33 18.274 15.033 -4.530
187 HA THR 33 HA THR 33 15.589 14.351 -4.259
188 HB THR 33 HB THR 33 16.977 13.039 -6.504
189 HG1 THR 33 HG1 THR 33 18.157 14.703 -7.033
190 HG21 THR 33 1HG2 THR 33 14.472 13.557 -6.182
191 HG22 THR 33 2HG2 THR 33 15.194 13.887 -7.757
192 HG23 THR 33 3HG2 THR 33 14.905 15.208 -6.625
193 H ARG 34 H RSS 34 18.432 12.236 -4.531
194 HB2 ARG 34 2HB RSS 34 19.549 9.904 -4.908
195 HB3 ARG 34 3HB RSS 34 19.784 10.609 -3.315
196 HG2 ARG 34 2HG RSS 34 18.466 8.020 -3.212
197 HG3 ARG 34 3HG RSS 34 20.057 7.957 -3.973
198 HD2 ARG 34 2HD RSS 34 21.027 9.089 -2.031
199 HD3 ARG 34 3HD RSS 34 19.436 9.149 -1.273
200 HE ARG 34 HE RSS 34 19.854 6.500 -1.802
201 HH11 ARG 34 1HH2 RSS 34 20.751 5.034 -0.303
202 HH12 ARG 34 2HH2 RSS 34 21.785 5.625 0.953
203 HH21 ARG 34 1HH1 RSS 34 21.557 8.971 -0.037
204 HH22 ARG 34 2HH1 RSS 34 22.243 7.865 1.106
205 H ASN 35 H ASN 35 17.623 11.954 -1.907
206 HA ASN 35 HA ASN 35 16.897 10.017 0.094
207 HB2 ASN 35 2HB ASN 35 17.218 13.021 0.196
208 HB3 ASN 35 3HB ASN 35 16.825 12.033 1.599
209 HD21 ASN 35 1HD2 ASN 35 19.243 13.639 0.351
210 HD22 ASN 35 2HD2 ASN 35 20.584 12.636 0.775
211 H ALA 36 H ALA 36 15.322 12.817 -1.424
212 HA ALA 36 HA ALA 36 12.924 12.805 -0.053
213 HB1 ALA 36 1HB ALA 36 12.454 13.338 -2.841
214 HB2 ALA 36 2HB ALA 36 12.446 14.448 -1.469
215 HB3 ALA 36 3HB ALA 36 13.956 14.094 -2.308
216 H ASN 37 H ASN 37 13.726 11.025 -3.033
217 HA ASN 37 HA ASN 37 11.299 9.788 -3.480
218 HB2 ASN 37 2HB ASN 37 14.116 8.829 -3.981
219 HB3 ASN 37 3HB ASN 37 12.701 7.932 -4.522
220 HD21 ASN 37 1HD2 ASN 37 11.721 8.514 -6.357
221 HD22 ASN 37 2HD2 ASN 37 12.146 9.893 -7.309
222 H ALA 38 H ALA 38 14.057 8.401 -1.689
223 HA ALA 38 HA ALA 38 12.748 6.105 -0.789
224 HB1 ALA 38 1HB ALA 38 15.039 7.635 0.431
225 HB2 ALA 38 2HB ALA 38 14.512 6.040 0.968
226 HB3 ALA 38 3HB ALA 38 15.135 6.258 -0.667
227 H ASN 39 H ASN 39 12.572 9.382 0.312
228 HA ASN 39 HA ASN 39 11.567 8.837 2.922
229 HB2 ASN 39 2HB ASN 39 12.636 11.009 2.081
230 HB3 ASN 39 3HB ASN 39 11.070 11.366 1.357
231 HD21 ASN 39 1HD2 ASN 39 11.537 13.232 2.910
232 HD22 ASN 39 2HD2 ASN 39 10.862 13.076 4.493
233 H VAL 40 H VAL 40 10.125 9.262 -0.240
234 HA VAL 40 HA VAL 40 7.430 9.445 0.740
235 HB VAL 40 HB VAL 40 8.440 8.885 -2.053
236 HG11 VAL 40 1HG1 VAL 40 5.743 9.075 -0.888
237 HG12 VAL 40 2HG1 VAL 40 5.998 9.989 -2.376
238 HG13 VAL 40 3HG1 VAL 40 6.297 8.251 -2.345
239 HG21 VAL 40 1HG2 VAL 40 9.203 11.033 -1.407
240 HG22 VAL 40 2HG2 VAL 40 7.770 11.296 -2.401
241 HG23 VAL 40 3HG2 VAL 40 7.663 11.430 -0.645
242 H ALA 41 H ALA 41 9.556 6.903 -0.389
243 HA ALA 41 HA ALA 41 7.452 4.927 -0.513
244 HB1 ALA 41 1HB ALA 41 10.416 4.414 -0.579
245 HB2 ALA 41 2HB ALA 41 9.120 3.398 -1.212
246 HB3 ALA 41 3HB ALA 41 9.495 4.936 -1.990
247 H LYS 42 H KSS 42 10.317 5.473 1.535
248 HB2 LYS 42 2HB KSS 42 11.983 4.718 3.396
249 HB3 LYS 42 3HB KSS 42 11.060 6.172 3.752
250 HG2 LYS 42 2HG KSS 42 10.681 4.022 5.695
251 HG3 LYS 42 3HG KSS 42 12.337 4.624 5.592
252 HD2 LYS 42 2HD KSS 42 11.654 6.841 6.091
253 HD3 LYS 42 3HD KSS 42 9.949 6.437 5.874
254 HE2 LYS 42 2HE KSS 42 10.048 4.973 7.830
255 HE3 LYS 42 3HE KSS 42 11.755 5.362 8.040
256 HZ1 LYS 42 1HZ KSS 42 9.403 7.090 8.462
257 HZ2 LYS 42 2HZ KSS 42 10.922 7.770 8.160
258 HZ3 LYS 42 3HZ KSS 42 10.694 6.776 9.510
259 H THR 43 H THR 43 8.235 6.379 3.105
260 HA THR 43 HA THR 43 6.946 6.001 5.674
261 HB THR 43 HB THR 43 6.317 8.036 3.527
262 HG1 THR 43 HG1 THR 43 8.255 7.932 5.547
263 HG21 THR 43 1HG2 THR 43 5.288 9.287 5.382
264 HG22 THR 43 2HG2 THR 43 5.623 7.936 6.466
265 HG23 THR 43 3HG2 THR 43 4.500 7.731 5.121
266 H ALA 44 H ALA 44 6.177 5.650 2.256
267 HA ALA 44 HA ALA 44 3.405 5.093 2.660
268 HB1 ALA 44 1HB ALA 44 5.147 4.466 0.279
269 HB2 ALA 44 2HB ALA 44 3.383 4.467 0.313
270 HB3 ALA 44 3HB ALA 44 4.270 5.974 0.540