NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644232 |
6qbl   |
34346 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 HT1 PCA 1 1.794 -2.972 11.568
2 HA PCA 1 HA PCA 1 1.027 -3.576 9.101
3 HB2 PCA 1 HB2 PCA 1 0.007 -0.905 9.143
4 HB3 PCA 1 HB3 PCA 1 -0.840 -2.382 8.666
5 HG2 PCA 1 HG2 PCA 1 -1.194 -0.875 11.082
6 HG3 PCA 1 HG3 PCA 1 -1.959 -2.431 10.653
7 HT2 PCA 1 HT2 PCA 1 0.890 -4.196 11.110
8 H ALA 2 HN ALA 2 2.057 -2.011 7.560
9 HA ALA 2 HA ALA 2 3.931 -0.894 6.880
10 HB1 ALA 2 HB1 ALA 2 4.431 1.204 8.023
11 HB2 ALA 2 HB2 ALA 2 3.443 0.710 9.397
12 HB3 ALA 2 HB3 ALA 2 2.689 1.002 7.830
13 H GLN 3 HN GLN 3 4.694 -3.153 7.777
14 HA GLN 3 HA GLN 3 7.246 -2.930 8.880
15 HB2 GLN 3 HB2 GLN 3 6.222 -2.482 10.971
16 HB3 GLN 3 HB3 GLN 3 5.026 -3.746 10.753
17 HG2 GLN 3 HG2 GLN 3 6.592 -4.479 12.369
18 HG3 GLN 3 HG1 GLN 3 6.866 -5.401 10.894
19 HE21 GLN 3 HE21 GLN 3 8.806 -5.271 9.889
20 HE22 GLN 3 HE22 GLN 3 10.145 -4.353 10.485
21 H ALA 4 HN ALA 4 8.298 -4.610 8.123
22 HA ALA 4 HA ALA 4 8.764 -6.557 7.031
23 HB1 ALA 4 HB1 ALA 4 8.313 -7.480 9.257
24 HB2 ALA 4 HB2 ALA 4 7.840 -8.601 7.980
25 HB3 ALA 4 HB3 ALA 4 6.611 -7.667 8.832
26 H LEU 5 HN LEU 5 7.799 -5.441 5.146
27 HA LEU 5 HA LEU 5 5.135 -6.353 4.350
28 HB2 LEU 5 HB2 LEU 5 6.956 -4.398 2.929
29 HB3 LEU 5 HB3 LEU 5 5.262 -4.684 2.599
30 HG LEU 5 HG LEU 5 5.312 -2.635 3.701
31 HD11 LEU 5 HD11 LEU 5 4.173 -3.007 5.816
32 HD12 LEU 5 HD12 LEU 5 4.702 -4.690 5.813
33 HD13 LEU 5 HD13 LEU 5 3.592 -4.111 4.569
34 HD21 LEU 5 HD21 LEU 5 6.529 -2.163 5.729
35 HD22 LEU 5 HD22 LEU 5 7.630 -2.771 4.495
36 HD23 LEU 5 HD23 LEU 5 7.105 -3.827 5.806
37 H LEU 6 HN LEU 6 5.499 -6.195 1.587
38 HA LEU 6 HA LEU 6 6.572 -8.576 0.715
39 HB2 LEU 6 HB2 LEU 6 6.106 -5.927 -0.603
40 HB3 LEU 6 HB3 LEU 6 6.945 -7.193 -1.487
41 HG LEU 6 HG LEU 6 4.618 -7.177 -2.108
42 HD11 LEU 6 HD11 LEU 6 4.023 -9.472 -1.654
43 HD12 LEU 6 HD12 LEU 6 5.169 -9.534 -0.318
44 HD13 LEU 6 HD13 LEU 6 5.751 -9.342 -1.972
45 HD21 LEU 6 HD21 LEU 6 3.998 -7.586 0.812
46 HD22 LEU 6 HD22 LEU 6 2.830 -7.600 -0.509
47 HD23 LEU 6 HD23 LEU 6 3.699 -6.117 -0.116
48 HA PRO 7 HA PRO 7 10.990 -8.293 0.947
49 HB2 PRO 7 HB2 PRO 7 11.498 -9.417 -1.555
50 HB3 PRO 7 HB3 PRO 7 11.319 -10.304 -0.048
51 HG2 PRO 7 HG2 PRO 7 9.325 -9.785 -2.183
52 HG3 PRO 7 HG3 PRO 7 9.566 -11.252 -1.220
53 HD2 PRO 7 HD2 PRO 7 7.549 -9.596 -0.714
54 HD3 PRO 7 HD3 PRO 7 8.452 -10.351 0.618
55 H ILE 8 HN ILE 8 12.713 -7.148 0.082
56 HA ILE 8 HA ILE 8 12.085 -4.743 -1.209
57 HB ILE 8 HB ILE 8 14.731 -4.817 -1.647
58 HG12 ILE 8 HG12 ILE 8 15.819 -5.964 0.256
59 HG13 ILE 8 HG11 ILE 8 14.276 -6.676 0.699
60 HG21 ILE 8 HG21 ILE 8 14.972 -3.618 0.425
61 HG22 ILE 8 HG22 ILE 8 13.468 -4.319 1.041
62 HG23 ILE 8 HG23 ILE 8 13.427 -3.205 -0.326
63 HD11 ILE 8 HD11 ILE 8 15.699 -8.256 -0.486
64 HD12 ILE 8 HD12 ILE 8 15.767 -7.163 -1.869
65 HD13 ILE 8 HD13 ILE 8 14.235 -7.903 -1.404
66 H ALA 9 HN ALA 9 12.665 -7.826 -2.519
67 HA ALA 9 HA ALA 9 13.544 -6.941 -5.097
68 HB1 ALA 9 HB1 ALA 9 12.360 -9.587 -4.280
69 HB2 ALA 9 HB2 ALA 9 14.076 -9.183 -4.286
70 HB3 ALA 9 HB3 ALA 9 13.177 -9.237 -5.802
71 H SER 10 HN SER 10 10.497 -7.420 -3.491
72 HA SER 10 HA SER 10 8.869 -7.526 -5.817
73 HB2 SER 10 HB2 SER 10 8.148 -6.627 -3.022
74 HB3 SER 10 HB3 SER 10 7.010 -7.094 -4.287
75 HG SER 10 HG SER 10 7.400 -9.122 -3.883
76 H TYR 11 HN TYR 11 10.461 -4.934 -4.184
77 HA TYR 11 HA TYR 11 8.979 -3.000 -5.838
78 HB2 TYR 11 HB2 TYR 11 10.808 -2.095 -3.683
79 HB3 TYR 11 HB3 TYR 11 9.348 -1.340 -4.296
80 HD1 TYR 11 HD1 TYR 11 7.133 -2.154 -3.527
81 HD2 TYR 11 HD2 TYR 11 10.771 -3.591 -1.885
82 HE1 TYR 11 HE1 TYR 11 5.903 -3.011 -1.577
83 HE2 TYR 11 HE2 TYR 11 9.562 -4.459 0.075
84 HH TYR 11 HH TYR 11 7.574 -4.306 1.203
85 H ALA 12 HN ALA 12 11.466 -4.829 -6.319
86 HA ALA 12 HA ALA 12 13.750 -3.232 -6.486
87 HB1 ALA 12 HB1 ALA 12 14.651 -4.926 -7.973
88 HB2 ALA 12 HB2 ALA 12 13.036 -5.587 -8.228
89 HB3 ALA 12 HB3 ALA 12 13.786 -5.678 -6.635
90 H GLY 13 HN GLY 13 13.791 -1.346 -7.486
91 HA2 GLY 13 HA2 GLY 13 13.997 0.055 -9.333
92 HA3 GLY 13 HA1 GLY 13 13.401 -1.241 -10.352
93 H LEU 14 HN LEU 14 11.767 -0.038 -7.485
94 HA LEU 14 HA LEU 14 9.725 1.171 -9.231
95 HB2 LEU 14 HB2 LEU 14 9.221 -0.438 -6.728
96 HB3 LEU 14 HB3 LEU 14 7.996 0.385 -7.672
97 HG LEU 14 HG LEU 14 9.654 -1.982 -8.536
98 HD11 LEU 14 HD11 LEU 14 7.621 -3.208 -8.476
99 HD12 LEU 14 HD12 LEU 14 6.670 -1.747 -8.218
100 HD13 LEU 14 HD13 LEU 14 7.731 -2.340 -6.945
101 HD21 LEU 14 HD21 LEU 14 7.589 -0.409 -10.075
102 HD22 LEU 14 HD22 LEU 14 8.312 -1.931 -10.593
103 HD23 LEU 14 HD23 LEU 14 9.317 -0.492 -10.421
104 H THR 15 HN THR 15 8.179 2.519 -7.881
105 HA THR 15 HA THR 15 9.696 4.109 -5.915
106 HB THR 15 HB THR 15 7.365 5.284 -7.343
107 HG1 THR 15 HG1 THR 15 8.254 4.864 -9.228
108 HG21 THR 15 HG21 THR 15 8.560 7.314 -7.113
109 HG22 THR 15 HG22 THR 15 10.080 6.475 -6.825
110 HG23 THR 15 HG23 THR 15 8.815 6.446 -5.597
111 H VAL 16 HN VAL 16 8.944 3.456 -3.965
112 HA VAL 16 HA VAL 16 6.190 2.502 -3.722
113 HB VAL 16 HB VAL 16 6.818 1.603 -1.577
114 HG11 VAL 16 HG11 VAL 16 8.868 1.013 -3.704
115 HG12 VAL 16 HG12 VAL 16 7.286 0.252 -3.528
116 HG13 VAL 16 HG13 VAL 16 8.527 -0.002 -2.301
117 HG21 VAL 16 HG21 VAL 16 9.511 2.872 -2.039
118 HG22 VAL 16 HG22 VAL 16 9.098 1.778 -0.717
119 HG23 VAL 16 HG23 VAL 16 8.321 3.358 -0.832
120 H SER 17 HN SER 17 4.949 3.096 -1.834
121 HA SER 17 HA SER 17 4.829 5.934 -1.585
122 HB2 SER 17 HB2 SER 17 3.037 4.626 0.180
123 HB3 SER 17 HB3 SER 17 2.671 5.399 -1.365
124 HG SER 17 HG SER 17 2.192 3.041 -1.107
125 H ALA 18 HN ALA 18 4.624 7.002 0.591
126 HA ALA 18 HA ALA 18 6.967 6.620 2.046
127 HB1 ALA 18 HB1 ALA 18 5.741 8.729 2.001
128 HB2 ALA 18 HB2 ALA 18 6.091 8.208 3.647
129 HB3 ALA 18 HB3 ALA 18 4.471 8.013 2.987
130 HA PRO 19 HA PRO 19 4.034 4.392 5.470
131 HB2 PRO 19 HB2 PRO 19 2.484 3.005 3.320
132 HB3 PRO 19 HB3 PRO 19 1.994 3.420 4.967
133 HG2 PRO 19 HG2 PRO 19 1.170 4.883 2.917
134 HG3 PRO 19 HG3 PRO 19 1.648 5.656 4.437
135 HD2 PRO 19 HD2 PRO 19 3.082 5.542 1.843
136 HD3 PRO 19 HD3 PRO 19 3.087 6.802 3.084
137 H VAL 20 HN VAL 20 4.673 2.942 2.280
138 HA VAL 20 HA VAL 20 5.570 0.478 3.485
139 HB VAL 20 HB VAL 20 4.580 -0.156 1.553
140 HG11 VAL 20 HG11 VAL 20 4.456 1.171 -0.503
141 HG12 VAL 20 HG12 VAL 20 5.442 2.416 0.265
142 HG13 VAL 20 HG13 VAL 20 3.843 2.035 0.906
143 HG21 VAL 20 HG21 VAL 20 7.303 0.594 0.500
144 HG22 VAL 20 HG22 VAL 20 6.162 -0.450 -0.350
145 HG23 VAL 20 HG23 VAL 20 6.831 -0.953 1.207
146 H PHE 21 HN PHE 21 6.937 3.286 1.914
147 HA PHE 21 HA PHE 21 9.586 2.448 1.638
148 HB2 PHE 21 HB2 PHE 21 8.514 4.534 0.695
149 HB3 PHE 21 HB3 PHE 21 8.669 5.245 2.295
150 HD1 PHE 21 HD1 PHE 21 10.817 5.880 3.169
151 HD2 PHE 21 HD2 PHE 21 10.428 4.129 -0.681
152 HE1 PHE 21 HE1 PHE 21 13.126 6.545 2.640
153 HE2 PHE 21 HE2 PHE 21 12.738 4.771 -1.216
154 HZ PHE 21 HZ PHE 21 14.096 5.980 0.443
155 H ALA 22 HN ALA 22 8.110 4.375 4.249
156 HA ALA 22 HA ALA 22 10.407 4.477 5.875
157 HB1 ALA 22 HB1 ALA 22 8.911 5.225 7.646
158 HB2 ALA 22 HB2 ALA 22 7.515 4.693 6.709
159 HB3 ALA 22 HB3 ALA 22 8.517 6.019 6.121
160 H ALA 23 HN ALA 23 7.808 2.154 5.603
161 HA ALA 23 HA ALA 23 8.442 0.656 7.944
162 HB1 ALA 23 HB1 ALA 23 6.246 0.656 6.821
163 HB2 ALA 23 HB2 ALA 23 6.915 -0.952 7.092
164 HB3 ALA 23 HB3 ALA 23 6.973 -0.228 5.480
165 H LEU 24 HN LEU 24 9.158 0.360 4.509
166 HA LEU 24 HA LEU 24 10.715 -1.952 4.543
167 HB2 LEU 24 HB2 LEU 24 10.189 0.295 2.798
168 HB3 LEU 24 HB3 LEU 24 11.850 -0.239 2.679
169 HG LEU 24 HG LEU 24 11.262 -2.304 1.788
170 HD11 LEU 24 HD11 LEU 24 9.609 -2.954 3.468
171 HD12 LEU 24 HD12 LEU 24 9.019 -3.255 1.837
172 HD13 LEU 24 HD13 LEU 24 8.436 -1.856 2.742
173 HD21 LEU 24 HD21 LEU 24 10.851 -0.488 0.257
174 HD22 LEU 24 HD22 LEU 24 9.208 -0.315 0.871
175 HD23 LEU 24 HD23 LEU 24 9.673 -1.775 -0.006
176 H VAL 25 HN VAL 25 11.714 1.456 4.831
177 HA VAL 25 HA VAL 25 14.433 0.986 5.302
178 HB VAL 25 HB VAL 25 12.731 3.213 6.451
179 HG11 VAL 25 HG11 VAL 25 14.849 4.444 6.637
180 HG12 VAL 25 HG12 VAL 25 15.721 2.999 6.119
181 HG13 VAL 25 HG13 VAL 25 14.835 2.996 7.647
182 HG21 VAL 25 HG21 VAL 25 13.568 4.531 4.563
183 HG22 VAL 25 HG22 VAL 25 12.638 3.134 4.018
184 HG23 VAL 25 HG23 VAL 25 14.400 3.105 3.941
185 H THR 26 HN THR 26 11.677 0.626 7.339
186 HA THR 26 HA THR 26 13.029 0.560 9.838
187 HB THR 26 HB THR 26 10.308 -0.469 8.988
188 HG1 THR 26 HG1 THR 26 10.749 1.853 9.057
189 HG21 THR 26 HG21 THR 26 9.778 -0.655 11.380
190 HG22 THR 26 HG22 THR 26 11.457 -0.290 11.781
191 HG23 THR 26 HG23 THR 26 11.059 -1.773 10.912
192 H VAL 27 HN VAL 27 12.364 -1.864 7.388
193 HA VAL 27 HA VAL 27 13.443 -3.935 9.175
194 HB VAL 27 HB VAL 27 11.408 -4.834 8.670
195 HG11 VAL 27 HG11 VAL 27 10.607 -2.963 7.336
196 HG12 VAL 27 HG12 VAL 27 10.180 -4.495 6.574
197 HG13 VAL 27 HG13 VAL 27 11.525 -3.544 5.947
198 HG21 VAL 27 HG21 VAL 27 11.563 -6.481 6.911
199 HG22 VAL 27 HG22 VAL 27 13.110 -6.358 7.752
200 HG23 VAL 27 HG23 VAL 27 12.897 -5.596 6.174
201 H TYR 28 HN TYR 28 13.514 -2.813 5.821
202 HA TYR 28 HA TYR 28 15.814 -4.490 5.228
203 HB2 TYR 28 HB2 TYR 28 14.253 -2.614 3.445
204 HB3 TYR 28 HB3 TYR 28 15.437 -3.803 2.914
205 HD1 TYR 28 HD1 TYR 28 12.015 -3.183 3.555
206 HD2 TYR 28 HD2 TYR 28 14.930 -6.277 3.529
207 HE1 TYR 28 HE1 TYR 28 10.225 -4.856 3.441
208 HE2 TYR 28 HE2 TYR 28 13.147 -7.962 3.405
209 HH TYR 28 HH TYR 28 10.668 -8.054 4.116
210 H GLY 29 HN GLY 29 14.954 -1.165 5.782
211 HA2 GLY 29 HA2 GLY 29 16.399 0.541 6.447
212 HA3 GLY 29 HA1 GLY 29 17.760 -0.459 5.961
213 H ALA 30 HN ALA 30 17.571 2.269 5.351
214 HA ALA 30 HA ALA 30 16.680 2.714 2.700
215 HB1 ALA 30 HB1 ALA 30 18.080 4.719 2.768
216 HB2 ALA 30 HB2 ALA 30 18.853 4.136 4.242
217 HB3 ALA 30 HB3 ALA 30 17.138 4.553 4.249
218 H TYR 31 HN TYR 31 19.444 1.230 4.085
219 HA TYR 31 HA TYR 31 21.283 1.270 2.001
220 HB2 TYR 31 HB2 TYR 31 21.815 0.577 4.258
221 HB3 TYR 31 HB3 TYR 31 20.682 -0.761 4.157
222 HD1 TYR 31 HD1 TYR 31 21.641 -2.793 4.009
223 HD2 TYR 31 HD2 TYR 31 23.567 0.496 2.157
224 HE1 TYR 31 HE1 TYR 31 23.471 -4.285 3.304
225 HE2 TYR 31 HE2 TYR 31 25.410 -0.975 1.434
226 HH TYR 31 HH TYR 31 25.227 -4.414 1.703
227 H ALA 32 HN ALA 32 18.911 -1.289 2.807
228 HA ALA 32 HA ALA 32 19.390 -2.737 0.431
229 HB1 ALA 32 HB1 ALA 32 17.033 -2.852 2.299
230 HB2 ALA 32 HB2 ALA 32 18.503 -3.817 2.419
231 HB3 ALA 32 HB3 ALA 32 17.413 -4.036 1.050
232 H LEU 33 HN LEU 33 16.968 -0.322 1.375
233 HA LEU 33 HA LEU 33 15.388 -0.564 -0.931
234 HB2 LEU 33 HB2 LEU 33 15.623 1.284 1.321
235 HB3 LEU 33 HB3 LEU 33 15.104 2.074 -0.160
236 HG LEU 33 HG LEU 33 13.230 0.528 -0.343
237 HD11 LEU 33 HD11 LEU 33 14.427 -1.378 0.770
238 HD12 LEU 33 HD12 LEU 33 12.760 -1.129 1.278
239 HD13 LEU 33 HD13 LEU 33 14.083 -0.595 2.313
240 HD21 LEU 33 HD21 LEU 33 13.434 1.717 2.409
241 HD22 LEU 33 HD22 LEU 33 11.954 1.340 1.526
242 HD23 LEU 33 HD23 LEU 33 13.027 2.615 0.948
243 H TYR 34 HN TYR 34 18.287 1.329 -0.280
244 HA TYR 34 HA TYR 34 18.228 2.771 -2.734
245 HB2 TYR 34 HB2 TYR 34 19.647 3.757 -1.178
246 HB3 TYR 34 HB3 TYR 34 20.275 2.214 -0.617
247 HD1 TYR 34 HD1 TYR 34 20.435 4.660 -3.400
248 HD2 TYR 34 HD2 TYR 34 22.253 1.311 -1.502
249 HE1 TYR 34 HE1 TYR 34 22.431 4.950 -4.809
250 HE2 TYR 34 HE2 TYR 34 24.254 1.595 -2.908
251 HH TYR 34 HH TYR 34 24.778 4.392 -4.817
252 H ARG 35 HN ARG 35 19.361 -0.335 -1.680
253 HA ARG 35 HA ARG 35 21.070 -0.901 -3.851
254 HB2 ARG 35 HB2 ARG 35 19.813 -2.427 -1.646
255 HB3 ARG 35 HB3 ARG 35 20.433 -3.347 -3.017
256 HG2 ARG 35 HG2 ARG 35 22.604 -2.126 -2.687
257 HG3 ARG 35 HG3 ARG 35 21.933 -1.521 -1.171
258 HD2 ARG 35 HD2 ARG 35 21.692 -3.719 -0.311
259 HD3 ARG 35 HD3 ARG 35 22.076 -4.439 -1.872
260 HE ARG 35 HE ARG 35 24.109 -2.795 -0.564
261 HH11 ARG 35 HH11 ARG 35 22.958 -5.972 -1.486
262 HH12 ARG 35 HH12 ARG 35 24.514 -6.722 -1.336
263 HH21 ARG 35 HH21 ARG 35 26.166 -3.782 -0.364
264 HH22 ARG 35 HH22 ARG 35 26.340 -5.478 -0.691
265 H TYR 36 HN TYR 36 17.676 -1.611 -3.233
266 HA TYR 36 HA TYR 36 17.492 -2.987 -5.803
267 HB2 TYR 36 HB2 TYR 36 15.561 -2.717 -3.505
268 HB3 TYR 36 HB3 TYR 36 15.165 -3.533 -5.016
269 HD1 TYR 36 HD1 TYR 36 17.428 -3.585 -2.110
270 HD2 TYR 36 HD2 TYR 36 15.897 -5.737 -5.433
271 HE1 TYR 36 HE1 TYR 36 18.495 -5.610 -1.261
272 HE2 TYR 36 HE2 TYR 36 16.956 -7.795 -4.592
273 HH TYR 36 HH TYR 36 18.863 -8.416 -3.127
274 H ASN 37 HN ASN 37 17.716 -0.002 -5.353
275 HA ASN 37 HA ASN 37 16.904 1.935 -6.224
276 HB2 ASN 37 HB2 ASN 37 17.315 0.427 -8.278
277 HB3 ASN 37 HB3 ASN 37 15.570 0.262 -8.338
278 HD21 ASN 37 HD21 ASN 37 14.307 2.109 -8.805
279 HD22 ASN 37 HD22 ASN 37 15.001 3.467 -9.616
280 H ILE 38 HN ILE 38 15.392 0.920 -4.174
281 HA ILE 38 HA ILE 38 12.610 1.287 -4.936
282 HB ILE 38 HB ILE 38 13.845 0.706 -2.241
283 HG12 ILE 38 HG12 ILE 38 12.390 -1.110 -4.173
284 HG13 ILE 38 HG11 ILE 38 14.125 -1.101 -3.909
285 HG21 ILE 38 HG21 ILE 38 11.539 0.132 -1.574
286 HG22 ILE 38 HG22 ILE 38 10.965 0.726 -3.132
287 HG23 ILE 38 HG23 ILE 38 11.724 1.836 -1.990
288 HD11 ILE 38 HD11 ILE 38 13.792 -1.775 -1.606
289 HD12 ILE 38 HD12 ILE 38 13.067 -2.923 -2.731
290 HD13 ILE 38 HD13 ILE 38 12.047 -1.780 -1.855
291 H ARG 39 HN ARG 39 11.968 3.266 -5.181
292 HA ARG 39 HA ARG 39 13.203 5.428 -3.618
293 HB2 ARG 39 HB2 ARG 39 11.516 5.556 -6.119
294 HB3 ARG 39 HB3 ARG 39 12.240 6.933 -5.318
295 HG2 ARG 39 HG2 ARG 39 13.786 6.641 -6.905
296 HG3 ARG 39 HG3 ARG 39 14.439 5.490 -5.738
297 HD2 ARG 39 HD2 ARG 39 14.326 4.553 -8.007
298 HD3 ARG 39 HD3 ARG 39 13.308 3.666 -6.873
299 HE ARG 39 HE ARG 39 11.397 4.578 -7.903
300 HH11 ARG 39 HH11 ARG 39 14.360 5.604 -9.473
301 HH12 ARG 39 HH12 ARG 39 13.562 6.078 -10.939
302 HH21 ARG 39 HH21 ARG 39 10.348 5.220 -9.812
303 HH22 ARG 39 HH22 ARG 39 11.283 5.847 -11.138
304 H ARG 40 HN ARG 40 11.621 7.299 -3.181
305 HA ARG 40 HA ARG 40 9.108 6.170 -2.135
306 HB2 ARG 40 HB2 ARG 40 10.838 7.160 -0.522
307 HB3 ARG 40 HB3 ARG 40 10.402 8.719 -1.205
308 HG2 ARG 40 HG2 ARG 40 8.094 8.403 -0.499
309 HG3 ARG 40 HG3 ARG 40 8.515 6.825 0.171
310 HD2 ARG 40 HD2 ARG 40 8.521 8.319 1.998
311 HD3 ARG 40 HD3 ARG 40 10.211 8.033 1.603
312 HE ARG 40 HE ARG 40 9.050 10.355 0.341
313 HH11 ARG 40 HH11 ARG 40 10.712 9.135 3.163
314 HH12 ARG 40 HH12 ARG 40 11.422 10.664 3.568
315 HH21 ARG 40 HH21 ARG 40 9.958 12.375 0.872
316 HH22 ARG 40 HH22 ARG 40 10.988 12.515 2.264
317 H ARG 41 HN ARG 41 7.254 6.943 -2.881
318 HA ARG 41 HA ARG 41 7.399 9.277 -4.689
319 HB2 ARG 41 HB2 ARG 41 5.657 8.320 -6.027
320 HB3 ARG 41 HB3 ARG 41 6.909 7.108 -5.806
321 HG2 ARG 41 HG2 ARG 41 5.595 5.931 -4.205
322 HG3 ARG 41 HG3 ARG 41 4.399 7.229 -4.156
323 HD2 ARG 41 HD2 ARG 41 5.026 5.433 -6.492
324 HD3 ARG 41 HD3 ARG 41 3.568 5.408 -5.500
325 HE ARG 41 HE ARG 41 3.772 7.965 -6.533
326 HH11 ARG 41 HH11 ARG 41 3.429 4.725 -7.793
327 HH12 ARG 41 HH12 ARG 41 2.560 5.222 -9.203
328 HH21 ARG 41 HH21 ARG 41 2.644 8.634 -8.401
329 HH22 ARG 41 HH22 ARG 41 2.110 7.452 -9.550
330 H GLU 42 HN GLU 42 4.963 9.987 -5.142
331 HA GLU 42 HA GLU 42 3.972 11.250 -2.834
332 HB2 GLU 42 HB2 GLU 42 2.914 10.818 -5.608
333 HB3 GLU 42 HB3 GLU 42 1.926 11.602 -4.384
334 HG2 GLU 42 HG2 GLU 42 4.661 12.538 -5.195
335 HG3 GLU 42 HG3 GLU 42 3.157 13.155 -5.875
336 H ASN 43 HN ASN 43 1.619 11.086 -2.215
337 HA ASN 43 HA ASN 43 0.649 8.322 -2.164
338 HB2 ASN 43 HB2 ASN 43 0.899 10.074 0.290
339 HB3 ASN 43 HB3 ASN 43 0.190 8.468 0.235
340 HD21 ASN 43 HD21 ASN 43 3.131 10.308 0.130
341 HD22 ASN 43 HD22 ASN 43 4.203 8.985 0.406
342 H SER 44 HN SER 44 -0.370 10.231 -3.783
343 HA SER 44 HA SER 44 -2.478 11.694 -2.456
344 HB2 SER 44 HB2 SER 44 -1.194 12.599 -4.413
345 HB3 SER 44 HB3 SER 44 -1.973 11.385 -5.425
346 HG SER 44 HG SER 44 -3.636 12.981 -3.861
347 H TYR 45 HN TYR 45 -2.147 8.557 -3.393
348 HA TYR 45 HA TYR 45 -5.016 8.133 -3.489
349 HB2 TYR 45 HB2 TYR 45 -5.003 6.913 -5.555
350 HB3 TYR 45 HB3 TYR 45 -4.231 8.465 -5.861
351 HD1 TYR 45 HD1 TYR 45 -1.526 8.273 -5.228
352 HD2 TYR 45 HD2 TYR 45 -4.040 5.171 -6.708
353 HE1 TYR 45 HE1 TYR 45 0.444 7.115 -6.106
354 HE2 TYR 45 HE2 TYR 45 -2.070 4.009 -7.606
355 HH TYR 45 HH TYR 45 0.226 4.530 -8.298
356 H GLN 46 HN GLN 46 -5.046 5.479 -4.151
357 HA GLN 46 HA GLN 46 -3.969 4.229 -1.798
358 HB2 GLN 46 HB2 GLN 46 -4.994 2.166 -2.671
359 HB3 GLN 46 HB3 GLN 46 -6.136 3.500 -2.714
360 HG2 GLN 46 HG2 GLN 46 -4.555 3.068 -5.163
361 HG3 GLN 46 HG1 GLN 46 -5.723 1.815 -4.759
362 HE21 GLN 46 HE21 GLN 46 -6.446 4.973 -3.697
363 HE22 GLN 46 HE22 GLN 46 -7.644 5.341 -4.889
364 H ARG 47 HN ARG 47 -1.932 3.510 -1.639
365 HA ARG 47 HA ARG 47 -0.608 2.584 -4.086
366 HB2 ARG 47 HB2 ARG 47 -0.106 5.063 -3.206
367 HB3 ARG 47 HB3 ARG 47 1.023 4.187 -2.187
368 HG2 ARG 47 HG2 ARG 47 0.959 4.286 -5.193
369 HG3 ARG 47 HG3 ARG 47 2.195 4.933 -4.115
370 HD2 ARG 47 HD2 ARG 47 2.601 2.557 -3.360
371 HD3 ARG 47 HD3 ARG 47 1.562 2.045 -4.686
372 HE ARG 47 HE ARG 47 4.119 3.475 -5.012
373 HH11 ARG 47 HH11 ARG 47 1.662 1.294 -6.237
374 HH12 ARG 47 HH12 ARG 47 2.597 0.829 -7.622
375 HH21 ARG 47 HH21 ARG 47 5.344 2.861 -6.841
376 HH22 ARG 47 HH22 ARG 47 4.680 1.713 -7.968
377 H ILE 48 HN ILE 48 -0.842 0.481 -3.324
378 HA ILE 48 HA ILE 48 1.200 -0.222 -1.351
379 HB ILE 48 HB ILE 48 -1.318 -1.845 -1.383
380 HG12 ILE 48 HG12 ILE 48 -1.835 -0.480 0.820
381 HG13 ILE 48 HG11 ILE 48 -0.961 0.797 -0.018
382 HG21 ILE 48 HG21 ILE 48 0.657 -2.739 -0.311
383 HG22 ILE 48 HG22 ILE 48 -0.580 -2.386 0.896
384 HG23 ILE 48 HG23 ILE 48 0.793 -1.297 0.695
385 HD11 ILE 48 HD11 ILE 48 -3.359 0.992 -0.349
386 HD12 ILE 48 HD12 ILE 48 -3.405 -0.629 -1.043
387 HD13 ILE 48 HD13 ILE 48 -2.535 0.661 -1.873
388 H ARG 49 HN ARG 49 2.104 -2.306 -1.697
389 HA ARG 49 HA ARG 49 1.996 -3.148 -4.463
390 HB2 ARG 49 HB2 ARG 49 4.122 -2.877 -3.081
391 HB3 ARG 49 HB3 ARG 49 3.646 -4.337 -2.230
392 HG2 ARG 49 HG2 ARG 49 5.279 -4.862 -3.920
393 HG3 ARG 49 HG3 ARG 49 3.725 -5.580 -4.350
394 HD2 ARG 49 HD2 ARG 49 3.313 -3.895 -5.981
395 HD3 ARG 49 HD3 ARG 49 4.681 -2.934 -5.425
396 HE ARG 49 HE ARG 49 6.079 -4.886 -6.222
397 HH11 ARG 49 HH11 ARG 49 2.966 -4.134 -7.658
398 HH12 ARG 49 HH12 ARG 49 3.393 -4.768 -9.215
399 HH21 ARG 49 HH21 ARG 49 6.632 -5.728 -8.268
400 HH22 ARG 49 HH22 ARG 49 5.480 -5.668 -9.563
401 H SER 50 HN SER 50 -0.415 -3.614 -3.418
402 HA SER 50 HA SER 50 -2.038 -5.178 -3.121
403 HB2 SER 50 HB2 SER 50 -0.928 -6.021 -5.224
404 HB3 SER 50 HB3 SER 50 -0.018 -7.145 -4.215
405 HG SER 50 HG SER 50 -2.198 -7.752 -5.247
406 H ASP 51 HN ASP 51 -1.933 -7.877 -2.480
407 HA ASP 51 HA ASP 51 -0.228 -8.418 -0.255
408 HB2 ASP 51 HB2 ASP 51 -1.854 -6.925 0.859
409 HB3 ASP 51 HB3 ASP 51 -3.156 -7.983 0.345
410 H HIS 52 HN HIS 52 -3.557 -9.446 -0.628
411 HA HIS 52 HA HIS 52 -2.564 -11.983 -1.693
412 HB2 HIS 52 HB2 HIS 52 -2.842 -11.886 0.916
413 HB3 HIS 52 HB3 HIS 52 -4.551 -12.092 0.531
414 HD1 HIS 52 HD1 HIS 52 -5.318 -14.430 0.064
415 HD2 HIS 52 HD2 HIS 52 -1.187 -13.966 -0.150
416 HE1 HIS 52 HE1 HIS 52 -4.395 -16.754 -0.264
417 HE2 HIS 52 HE2 HIS 52 -1.905 -16.439 -0.505
418 H ASP 53 HN ASP 53 -5.675 -11.082 -0.301
419 HA ASP 53 HA ASP 53 -6.949 -11.802 -2.827
420 HB2 ASP 53 HB2 ASP 53 -8.098 -11.222 -0.083
421 HB3 ASP 53 HB3 ASP 53 -9.066 -11.626 -1.498
422 H SER 54 HN SER 54 -5.355 -9.412 -2.478
423 HA SER 54 HA SER 54 -7.087 -7.160 -2.283
424 HB2 SER 54 HB2 SER 54 -4.248 -7.572 -3.086
425 HB3 SER 54 HB3 SER 54 -5.003 -5.997 -3.251
426 HG SER 54 HG SER 54 -5.431 -6.061 -1.019
427 H HIS 55 HN HIS 55 -7.586 -5.682 -3.921
428 HA HIS 55 HA HIS 55 -7.253 -6.172 -6.661
429 HB2 HIS 55 HB2 HIS 55 -9.642 -6.655 -7.256
430 HB3 HIS 55 HB3 HIS 55 -8.786 -7.992 -6.514
431 HD1 HIS 55 HD1 HIS 55 -11.870 -6.067 -6.259
432 HD2 HIS 55 HD2 HIS 55 -9.493 -8.322 -3.706
433 HE1 HIS 55 HE1 HIS 55 -13.351 -6.675 -4.326
434 HE2 HIS 55 HE2 HIS 55 -11.961 -8.251 -2.929
435 H SER 56 HN SER 56 -8.960 -4.820 -7.931
436 HA SER 56 HA SER 56 -8.896 -2.194 -6.756
437 HB2 SER 56 HB2 SER 56 -9.957 -1.537 -8.956
438 HB3 SER 56 HB3 SER 56 -8.398 -2.351 -9.091
439 HG SER 56 HG SER 56 -10.811 -3.815 -9.201
440 H CYS 57 HN CYS 57 -10.597 -0.944 -6.097
441 HA CYS 57 HA CYS 57 -13.327 -1.857 -6.520
442 HB2 CYS 57 HB2 CYS 57 -13.908 -1.548 -4.134
443 HB3 CYS 57 HB3 CYS 57 -12.760 -2.863 -4.369
444 H ALA 58 HN ALA 58 -14.817 -0.058 -5.416
445 HA ALA 58 HA ALA 58 -15.574 2.075 -5.559
446 HB1 ALA 58 HB1 ALA 58 -12.703 2.781 -4.926
447 HB2 ALA 58 HB2 ALA 58 -13.970 2.450 -3.744
448 HB3 ALA 58 HB3 ALA 58 -14.089 3.862 -4.792
449 H ASN 59 HN ASN 59 -14.966 0.842 -7.964
450 HA ASN 59 HA ASN 59 -14.651 1.216 -10.189
451 HB2 ASN 59 HB2 ASN 59 -14.632 4.163 -9.488
452 HB3 ASN 59 HB3 ASN 59 -14.947 3.459 -11.070
453 HD21 ASN 59 HD21 ASN 59 -16.933 2.484 -11.464
454 HD22 ASN 59 HD22 ASN 59 -18.298 2.728 -10.432
455 H ASN 60 HN ASN 60 -12.448 0.618 -8.687
456 HA ASN 60 HA ASN 60 -10.209 0.740 -8.429
457 HB2 ASN 60 HB2 ASN 60 -10.353 0.158 -10.845
458 HB3 ASN 60 HB3 ASN 60 -10.234 1.870 -11.232
459 HD21 ASN 60 HD21 ASN 60 -8.416 0.567 -8.544
460 HD22 ASN 60 HD22 ASN 60 -6.872 0.646 -9.318
461 H ARG 61 HN ARG 61 -11.668 2.923 -7.436
462 HA ARG 61 HA ARG 61 -9.549 4.962 -7.517
463 HB2 ARG 61 HB2 ARG 61 -12.420 5.172 -6.589
464 HB3 ARG 61 HB3 ARG 61 -11.223 6.446 -6.395
465 HG2 ARG 61 HG2 ARG 61 -11.002 6.665 -8.781
466 HG3 ARG 61 HG3 ARG 61 -12.082 5.295 -9.039
467 HD2 ARG 61 HD2 ARG 61 -12.863 7.848 -7.644
468 HD3 ARG 61 HD3 ARG 61 -13.174 7.506 -9.345
469 HE ARG 61 HE ARG 61 -14.240 5.384 -7.941
470 HH11 ARG 61 HH11 ARG 61 -14.699 8.854 -7.998
471 HH12 ARG 61 HH12 ARG 61 -16.390 8.765 -7.624
472 HH21 ARG 61 HH21 ARG 61 -16.473 5.261 -7.437
473 HH22 ARG 61 HH22 ARG 61 -17.396 6.722 -7.287
474 H GLY 62 HN GLY 62 -10.311 2.275 -6.025
475 HA2 GLY 62 HA2 GLY 62 -8.753 3.008 -3.688
476 HA3 GLY 62 HA1 GLY 62 -10.359 2.354 -3.370
477 H TRP 63 HN TRP 63 -7.410 1.391 -3.120
478 HA TRP 63 HA TRP 63 -7.707 -1.170 -4.477
479 HB2 TRP 63 HB2 TRP 63 -5.489 -0.058 -4.460
480 HB3 TRP 63 HB3 TRP 63 -5.443 -0.205 -2.707
481 HD1 TRP 63 HD1 TRP 63 -4.497 -2.400 -1.744
482 HE1 TRP 63 HE1 TRP 63 -3.736 -4.639 -2.747
483 HE3 TRP 63 HE3 TRP 63 -6.093 -1.707 -6.545
484 HZ2 TRP 63 HZ2 TRP 63 -3.788 -5.936 -5.270
485 HZ3 TRP 63 HZ3 TRP 63 -5.706 -3.480 -8.187
486 HH2 TRP 63 HH2 TRP 63 -4.582 -5.557 -7.568
487 H CYS 64 HN CYS 64 -8.395 -2.981 -3.537
488 HA CYS 64 HA CYS 64 -9.318 -3.019 -0.837
489 HB2 CYS 64 HB2 CYS 64 -8.959 -5.219 -2.858
490 HB3 CYS 64 HB3 CYS 64 -9.689 -5.460 -1.282
491 H ARG 65 HN ARG 65 -8.051 -3.101 0.844
492 HA ARG 65 HA ARG 65 -5.753 -4.936 0.801
493 HB2 ARG 65 HB2 ARG 65 -5.665 -2.090 0.931
494 HB3 ARG 65 HB3 ARG 65 -5.202 -2.709 2.503
495 HG2 ARG 65 HG2 ARG 65 -3.899 -4.157 0.375
496 HG3 ARG 65 HG3 ARG 65 -3.573 -2.424 0.294
497 HD2 ARG 65 HD2 ARG 65 -2.617 -2.380 2.420
498 HD3 ARG 65 HD3 ARG 65 -3.344 -3.919 2.882
499 HE ARG 65 HE ARG 65 -1.429 -3.996 0.702
500 HH11 ARG 65 HH11 ARG 65 -1.943 -4.355 4.135
501 HH12 ARG 65 HH12 ARG 65 -0.610 -5.438 4.358
502 HH21 ARG 65 HH21 ARG 65 0.330 -5.430 0.975
503 HH22 ARG 65 HH22 ARG 65 0.696 -6.042 2.559
504 HA PRO 66 HA PRO 66 -7.495 -6.400 4.613
505 HB2 PRO 66 HB2 PRO 66 -5.144 -7.157 5.869
506 HB3 PRO 66 HB3 PRO 66 -6.071 -8.151 4.745
507 HG2 PRO 66 HG2 PRO 66 -3.571 -6.639 4.307
508 HG3 PRO 66 HG3 PRO 66 -4.172 -8.100 3.505
509 HD2 PRO 66 HD2 PRO 66 -4.183 -5.589 2.386
510 HD3 PRO 66 HD3 PRO 66 -5.247 -6.918 1.897
511 H THR 67 HN THR 67 -5.032 -4.001 4.453
512 HA THR 67 HA THR 67 -6.079 -2.675 6.817
513 HB THR 67 HB THR 67 -3.094 -2.899 6.549
514 HG1 THR 67 HG1 THR 67 -4.697 -4.584 8.207
515 HG21 THR 67 HG21 THR 67 -4.003 -1.132 7.970
516 HG22 THR 67 HG22 THR 67 -3.145 -2.337 8.930
517 HG23 THR 67 HG23 THR 67 -4.908 -2.331 8.891
518 H CYS 68 HN CYS 68 -5.847 -0.443 6.666
519 HA CYS 68 HA CYS 68 -4.898 0.504 4.053
520 HB2 CYS 68 HB2 CYS 68 -6.872 1.724 5.990
521 HB3 CYS 68 HB3 CYS 68 -6.361 2.475 4.482
522 H PHE 69 HN PHE 69 -3.449 2.147 3.871
523 HA PHE 69 HA PHE 69 -1.953 2.756 6.323
524 HB2 PHE 69 HB2 PHE 69 -1.209 2.979 3.401
525 HB3 PHE 69 HB3 PHE 69 -0.160 3.464 4.727
526 HD1 PHE 69 HD1 PHE 69 0.682 1.758 6.314
527 HD2 PHE 69 HD2 PHE 69 -1.418 0.685 2.765
528 HE1 PHE 69 HE1 PHE 69 1.552 -0.531 6.490
529 HE2 PHE 69 HE2 PHE 69 -0.549 -1.601 2.942
530 HZ PHE 69 HZ PHE 69 0.937 -2.217 4.804
531 H SER 70 HN SER 70 -0.850 4.979 6.266
532 HA SER 70 HA SER 70 -2.944 6.912 6.373
533 HB2 SER 70 HB2 SER 70 0.041 7.228 6.725
534 HB3 SER 70 HB3 SER 70 -1.163 8.449 7.134
535 HG SER 70 HG SER 70 -1.256 5.837 8.218
536 H HIS 71 HN HIS 71 -3.747 7.263 4.376
537 HA HIS 71 HA HIS 71 -3.128 9.150 2.666
538 HB2 HIS 71 HB2 HIS 71 -1.868 8.261 0.752
539 HB3 HIS 71 HB3 HIS 71 -0.882 8.241 2.199
540 HD1 HIS 71 HD1 HIS 71 0.456 6.518 0.480
541 HD2 HIS 71 HD2 HIS 71 -3.027 5.197 2.283
542 HE1 HIS 71 HE1 HIS 71 0.523 4.007 0.311
543 HE2 HIS 71 HE2 HIS 71 -1.682 3.237 1.282
544 H GLU 72 HN GLU 72 -4.346 6.200 3.468
545 HA GLU 72 HA GLU 72 -6.641 6.632 1.738
546 HB2 GLU 72 HB2 GLU 72 -6.797 4.251 1.190
547 HB3 GLU 72 HB3 GLU 72 -5.277 4.926 0.597
548 HG2 GLU 72 HG2 GLU 72 -4.544 4.045 3.055
549 HG3 GLU 72 HG3 GLU 72 -5.769 2.858 2.616
550 H TYR 73 HN TYR 73 -8.474 5.146 2.579
551 HA TYR 73 HA TYR 73 -8.214 4.573 5.429
552 HB2 TYR 73 HB2 TYR 73 -10.325 5.810 5.913
553 HB3 TYR 73 HB3 TYR 73 -8.991 6.857 5.445
554 HD1 TYR 73 HD1 TYR 73 -12.040 5.193 4.095
555 HD2 TYR 73 HD2 TYR 73 -9.229 8.371 3.703
556 HE1 TYR 73 HE1 TYR 73 -13.447 6.189 2.339
557 HE2 TYR 73 HE2 TYR 73 -10.634 9.383 1.947
558 HH TYR 73 HH TYR 73 -12.371 8.737 0.346
559 H THR 74 HN THR 74 -10.350 3.647 6.240
560 HA THR 74 HA THR 74 -11.016 1.434 4.531
561 HB THR 74 HB THR 74 -12.082 2.167 7.270
562 HG1 THR 74 HG1 THR 74 -9.737 1.686 7.009
563 HG21 THR 74 HG21 THR 74 -12.091 -0.541 5.968
564 HG22 THR 74 HG22 THR 74 -13.447 0.576 5.823
565 HG23 THR 74 HG23 THR 74 -12.957 -0.020 7.411
566 H ASP 75 HN ASP 75 -12.225 2.280 2.809
567 HA ASP 75 HA ASP 75 -14.711 3.640 3.368
568 HB2 ASP 75 HB2 ASP 75 -13.578 4.065 1.228
569 HB3 ASP 75 HB3 ASP 75 -13.719 2.362 0.806
570 H TRP 76 HN TRP 76 -16.382 2.633 4.176
571 HA TRP 76 HA TRP 76 -16.397 -0.223 4.397
572 HB2 TRP 76 HB2 TRP 76 -18.185 1.953 5.451
573 HB3 TRP 76 HB3 TRP 76 -18.539 0.243 5.695
574 HD1 TRP 76 HD1 TRP 76 -16.301 3.024 6.947
575 HE1 TRP 76 HE1 TRP 76 -14.871 2.150 8.900
576 HE3 TRP 76 HE3 TRP 76 -17.377 -1.949 6.560
577 HZ2 TRP 76 HZ2 TRP 76 -14.275 -0.331 10.110
578 HZ3 TRP 76 HZ3 TRP 76 -16.332 -3.508 8.144
579 HH2 TRP 76 HH2 TRP 76 -14.812 -2.716 9.881
580 H PHE 77 HN PHE 77 -17.846 2.037 2.254
581 HA PHE 77 HA PHE 77 -20.085 0.435 1.506
582 HB2 PHE 77 HB2 PHE 77 -20.135 2.782 0.977
583 HB3 PHE 77 HB3 PHE 77 -18.630 2.666 0.071
584 HD1 PHE 77 HD1 PHE 77 -21.985 1.021 0.083
585 HD2 PHE 77 HD2 PHE 77 -18.827 2.728 -2.200
586 HE1 PHE 77 HE1 PHE 77 -23.264 0.619 -1.978
587 HE2 PHE 77 HE2 PHE 77 -20.102 2.335 -4.265
588 HZ PHE 77 HZ PHE 77 -22.322 1.277 -4.153
589 H ASN 78 HN ASN 78 -16.965 1.074 -0.076
590 HA ASN 78 HA ASN 78 -17.355 -1.122 -1.893
591 HB2 ASN 78 HB2 ASN 78 -14.941 0.618 -1.377
592 HB3 ASN 78 HB3 ASN 78 -15.065 -0.571 -2.669
593 HD21 ASN 78 HD21 ASN 78 -16.000 2.560 -1.547
594 HD22 ASN 78 HD22 ASN 78 -16.763 3.071 -3.019
595 H ASN 79 HN ASN 79 -16.154 -0.779 1.273
596 HA ASN 79 HA ASN 79 -14.466 -2.986 1.526
597 HB2 ASN 79 HB2 ASN 79 -15.132 -1.325 3.320
598 HB3 ASN 79 HB3 ASN 79 -16.651 -2.195 3.468
599 HD21 ASN 79 HD21 ASN 79 -14.554 -1.698 5.403
600 HD22 ASN 79 HD22 ASN 79 -14.056 -3.247 5.979
601 H ASP 80 HN ASP 80 -17.955 -2.717 1.341
602 HA ASP 80 HA ASP 80 -18.601 -5.425 1.750
603 HB2 ASP 80 HB2 ASP 80 -20.273 -3.673 1.947
604 HB3 ASP 80 HB3 ASP 80 -20.074 -3.250 0.252
605 H VAL 81 HN VAL 81 -17.871 -3.571 -1.213
606 HA VAL 81 HA VAL 81 -18.358 -5.804 -2.934
607 HB VAL 81 HB VAL 81 -17.568 -4.539 -4.734
608 HG11 VAL 81 HG11 VAL 81 -19.624 -3.647 -3.849
609 HG12 VAL 81 HG12 VAL 81 -18.630 -2.338 -4.490
610 HG13 VAL 81 HG13 VAL 81 -18.727 -2.601 -2.749
611 HG21 VAL 81 HG21 VAL 81 -15.388 -3.912 -3.893
612 HG22 VAL 81 HG22 VAL 81 -16.127 -2.727 -2.815
613 HG23 VAL 81 HG23 VAL 81 -16.222 -2.510 -4.563
614 H CYS 82 HN CYS 82 -15.722 -4.851 -0.974
615 HA CYS 82 HA CYS 82 -13.725 -6.351 -2.391
616 HB2 CYS 82 HB2 CYS 82 -13.757 -5.105 0.356
617 HB3 CYS 82 HB3 CYS 82 -12.367 -5.957 -0.307
618 H GLY 83 HN GLY 83 -15.703 -6.864 0.502
619 HA2 GLY 83 HA2 GLY 83 -16.565 -9.070 0.957
620 HA3 GLY 83 HA1 GLY 83 -15.099 -9.739 0.253
621 H SER 84 HN SER 84 -13.175 -9.739 1.465
622 HA SER 84 HA SER 84 -13.641 -9.548 4.350
623 HB2 SER 84 HB2 SER 84 -12.731 -11.673 3.357
624 HB3 SER 84 HB3 SER 84 -11.277 -10.780 2.917
625 HG SER 84 HG SER 84 -10.722 -10.611 4.996
626 H TYR 85 HN TYR 85 -11.562 -8.355 1.774
627 HA TYR 85 HA TYR 85 -9.975 -6.713 3.506
628 HB2 TYR 85 HB2 TYR 85 -10.318 -6.865 0.518
629 HB3 TYR 85 HB3 TYR 85 -9.362 -5.585 1.269
630 HD1 TYR 85 HD1 TYR 85 -7.657 -6.773 -0.389
631 HD2 TYR 85 HD2 TYR 85 -9.102 -8.481 3.238
632 HE1 TYR 85 HE1 TYR 85 -5.748 -8.248 -0.323
633 HE2 TYR 85 HE2 TYR 85 -7.166 -9.965 3.309
634 HH TYR 85 HH TYR 85 -4.444 -9.557 1.697
635 H ARG 86 HN ARG 86 -9.929 -4.413 3.449
636 HA ARG 86 HA ARG 86 -12.586 -3.233 3.089
637 HB2 ARG 86 HB2 ARG 86 -11.639 -1.351 4.442
638 HB3 ARG 86 HB3 ARG 86 -11.748 -2.877 5.307
639 HG2 ARG 86 HG2 ARG 86 -9.201 -2.871 4.181
640 HG3 ARG 86 HG3 ARG 86 -9.451 -1.222 4.759
641 HD2 ARG 86 HD2 ARG 86 -9.896 -3.709 6.401
642 HD3 ARG 86 HD3 ARG 86 -8.434 -2.729 6.450
643 HE ARG 86 HE ARG 86 -10.097 -0.869 7.114
644 HH11 ARG 86 HH11 ARG 86 -10.417 -4.253 7.988
645 HH12 ARG 86 HH12 ARG 86 -11.195 -3.920 9.501
646 HH21 ARG 86 HH21 ARG 86 -11.126 -0.432 9.111
647 HH22 ARG 86 HH22 ARG 86 -11.596 -1.742 10.146
648 H CYS 87 HN CYS 87 -12.807 -1.286 1.893
649 HA CYS 87 HA CYS 87 -10.942 -1.193 -0.306
650 HB2 CYS 87 HB2 CYS 87 -13.400 -1.012 -0.647
651 HB3 CYS 87 HB3 CYS 87 -13.365 0.540 0.183
652 H CYS 88 HN CYS 88 -9.147 -0.084 -0.151
653 HA CYS 88 HA CYS 88 -8.923 2.053 1.769
654 HB2 CYS 88 HB2 CYS 88 -6.936 0.762 -0.101
655 HB3 CYS 88 HB3 CYS 88 -6.527 2.062 1.015
656 H ARG 89 HN ARG 89 -10.245 3.610 0.962
657 HA ARG 89 HA ARG 89 -9.749 4.793 -1.642
658 HB2 ARG 89 HB2 ARG 89 -11.737 5.181 0.553
659 HB3 ARG 89 HB3 ARG 89 -11.490 6.489 -0.592
660 HG2 ARG 89 HG2 ARG 89 -12.148 3.687 -1.445
661 HG3 ARG 89 HG3 ARG 89 -13.386 4.883 -1.056
662 HD2 ARG 89 HD2 ARG 89 -11.263 5.132 -3.183
663 HD3 ARG 89 HD3 ARG 89 -12.975 4.818 -3.450
664 HE ARG 89 HE ARG 89 -11.911 7.331 -2.328
665 HH11 ARG 89 HH11 ARG 89 -14.301 5.594 -4.210
666 HH12 ARG 89 HH12 ARG 89 -15.126 7.030 -4.715
667 HH21 ARG 89 HH21 ARG 89 -12.995 9.216 -3.006
668 HH22 ARG 89 HH22 ARG 89 -14.380 9.086 -4.044
669 HA PRO 90 HA PRO 90 -6.496 7.500 -0.389
670 HB2 PRO 90 HB2 PRO 90 -7.923 9.433 -2.160
671 HB3 PRO 90 HB3 PRO 90 -6.214 8.979 -2.133
672 HG2 PRO 90 HG2 PRO 90 -7.807 8.003 -4.005
673 HG3 PRO 90 HG3 PRO 90 -6.598 6.964 -3.228
674 HD2 PRO 90 HD2 PRO 90 -9.551 7.069 -2.809
675 HD3 PRO 90 HD3 PRO 90 -8.454 5.675 -2.803
676 H GLY 91 HN GLY 91 -6.280 8.675 1.371
677 HA2 GLY 91 HA2 GLY 91 -6.992 11.021 2.181
678 HA3 GLY 91 HA1 GLY 91 -8.564 10.247 2.329
679 H ARG 92 HN ARG 92 -8.754 10.391 4.521
680 HA ARG 92 HA ARG 92 -7.454 8.341 6.016
681 HB2 ARG 92 HB2 ARG 92 -5.803 10.287 5.900
682 HB3 ARG 92 HB3 ARG 92 -6.913 11.145 6.961
683 HG2 ARG 92 HG2 ARG 92 -6.677 9.391 8.634
684 HG3 ARG 92 HG3 ARG 92 -5.570 8.521 7.571
685 HD2 ARG 92 HD2 ARG 92 -5.120 11.294 8.670
686 HD3 ARG 92 HD3 ARG 92 -4.407 9.820 9.317
687 HE ARG 92 HE ARG 92 -3.883 10.400 6.512
688 HH11 ARG 92 HH11 ARG 92 -2.742 10.511 9.823
689 HH12 ARG 92 HH12 ARG 92 -1.077 10.706 9.375
690 HH21 ARG 92 HH21 ARG 92 -1.696 10.662 5.926
691 HH22 ARG 92 HH22 ARG 92 -0.481 10.802 7.156
692 H AAR 93 HN AAR 93 -10.099 9.026 5.351
693 HA AAR 93 HA AAR 93 -11.495 10.276 7.455
694 HB2 AAR 93 HB2 AAR 93 -12.303 8.338 5.294
695 HB3 AAR 93 HB3 AAR 93 -13.449 8.992 6.444
696 HG2 AAR 93 HG2 AAR 93 -13.075 11.219 5.660
697 HG3 AAR 93 HG3 AAR 93 -11.743 10.679 4.640
698 HD2 AAR 93 HD2 AAR 93 -13.824 11.068 3.373
699 HD3 AAR 93 HD3 AAR 93 -13.250 9.406 3.261
700 HE AAR 93 HE AAR 93 -15.260 9.965 5.291
701 HH11 AAR 93 HH21 AAR 93 -17.211 8.805 5.125
702 HH12 AAR 93 HH22 AAR 93 -17.557 7.892 3.689
703 HH21 AAR 93 HH11 AAR 93 -14.541 8.715 2.087
704 HH22 AAR 93 HH12 AAR 93 -16.036 7.839 1.965
705 HNT1 AAR 93 HNT1 AAR 93 -12.306 6.940 6.667
706 HNT2 AAR 93 HNT2 AAR 93 -12.097 6.302 8.274
Start of MODEL 2
1 H PCA 1 HT1 PCA 1 1.140 -3.296 10.454
2 HA PCA 1 HA PCA 1 0.815 -2.525 7.873
3 HB2 PCA 1 HB2 PCA 1 0.712 -0.005 9.284
4 HB3 PCA 1 HB3 PCA 1 -0.324 -0.584 7.973
5 HG2 PCA 1 HG2 PCA 1 -0.972 -0.436 10.758
6 HG3 PCA 1 HG3 PCA 1 -1.961 -1.149 9.453
7 HT2 PCA 1 HT2 PCA 1 0.206 -3.921 9.329
8 H ALA 2 HN ALA 2 2.495 -0.700 7.475
9 HA ALA 2 HA ALA 2 4.701 -0.213 7.406
10 HB1 ALA 2 HB1 ALA 2 4.488 -0.414 10.418
11 HB2 ALA 2 HB2 ALA 2 4.158 1.023 9.452
12 HB3 ALA 2 HB3 ALA 2 5.792 0.363 9.520
13 H GLN 3 HN GLN 3 6.118 -1.578 10.052
14 HA GLN 3 HA GLN 3 7.845 -3.241 8.842
15 HB2 GLN 3 HB2 GLN 3 7.505 -2.625 11.359
16 HB3 GLN 3 HB3 GLN 3 6.628 -4.140 11.433
17 HG2 GLN 3 HG2 GLN 3 9.503 -3.837 10.592
18 HG3 GLN 3 HG1 GLN 3 8.955 -4.332 12.186
19 HE21 GLN 3 HE21 GLN 3 9.709 -5.332 9.004
20 HE22 GLN 3 HE22 GLN 3 9.283 -7.004 9.198
21 H ALA 4 HN ALA 4 7.842 -5.074 7.785
22 HA ALA 4 HA ALA 4 7.293 -7.125 6.994
23 HB1 ALA 4 HB1 ALA 4 6.248 -7.773 9.105
24 HB2 ALA 4 HB2 ALA 4 5.343 -8.380 7.718
25 HB3 ALA 4 HB3 ALA 4 4.754 -6.978 8.611
26 H LEU 5 HN LEU 5 7.262 -5.361 5.313
27 HA LEU 5 HA LEU 5 4.657 -5.037 4.026
28 HB2 LEU 5 HB2 LEU 5 7.409 -4.046 3.250
29 HB3 LEU 5 HB3 LEU 5 5.955 -3.718 2.344
30 HG LEU 5 HG LEU 5 6.390 -1.758 3.489
31 HD11 LEU 5 HD11 LEU 5 4.571 -1.491 5.073
32 HD12 LEU 5 HD12 LEU 5 4.401 -3.243 5.184
33 HD13 LEU 5 HD13 LEU 5 4.066 -2.418 3.660
34 HD21 LEU 5 HD21 LEU 5 6.934 -1.605 5.860
35 HD22 LEU 5 HD22 LEU 5 8.109 -2.590 4.986
36 HD23 LEU 5 HD23 LEU 5 6.879 -3.364 5.989
37 H LEU 6 HN LEU 6 5.260 -5.141 1.387
38 HA LEU 6 HA LEU 6 5.811 -7.783 0.606
39 HB2 LEU 6 HB2 LEU 6 5.926 -5.120 -0.803
40 HB3 LEU 6 HB3 LEU 6 6.422 -6.588 -1.626
41 HG LEU 6 HG LEU 6 4.153 -5.984 -2.254
42 HD11 LEU 6 HD11 LEU 6 4.211 -8.411 -0.462
43 HD12 LEU 6 HD12 LEU 6 4.691 -8.350 -2.158
44 HD13 LEU 6 HD13 LEU 6 3.009 -8.073 -1.705
45 HD21 LEU 6 HD21 LEU 6 2.329 -5.990 -0.622
46 HD22 LEU 6 HD22 LEU 6 3.510 -4.724 -0.283
47 HD23 LEU 6 HD23 LEU 6 3.498 -6.200 0.683
48 HA PRO 7 HA PRO 7 10.270 -8.170 0.868
49 HB2 PRO 7 HB2 PRO 7 10.636 -9.277 -1.669
50 HB3 PRO 7 HB3 PRO 7 10.337 -10.172 -0.185
51 HG2 PRO 7 HG2 PRO 7 8.434 -9.340 -2.303
52 HG3 PRO 7 HG3 PRO 7 8.476 -10.847 -1.376
53 HD2 PRO 7 HD2 PRO 7 6.691 -8.951 -0.837
54 HD3 PRO 7 HD3 PRO 7 7.480 -9.848 0.481
55 H ILE 8 HN ILE 8 12.138 -7.207 0.077
56 HA ILE 8 HA ILE 8 11.888 -4.698 -1.117
57 HB ILE 8 HB ILE 8 14.494 -5.197 -1.611
58 HG12 ILE 8 HG12 ILE 8 15.377 -6.510 0.307
59 HG13 ILE 8 HG11 ILE 8 13.736 -7.004 0.689
60 HG21 ILE 8 HG21 ILE 8 14.823 -4.350 0.806
61 HG22 ILE 8 HG22 ILE 8 13.053 -4.277 0.835
62 HG23 ILE 8 HG23 ILE 8 13.961 -3.351 -0.365
63 HD11 ILE 8 HD11 ILE 8 15.197 -7.616 -1.870
64 HD12 ILE 8 HD12 ILE 8 13.574 -8.156 -1.444
65 HD13 ILE 8 HD13 ILE 8 14.965 -8.732 -0.522
66 H ALA 9 HN ALA 9 12.238 -7.806 -2.593
67 HA ALA 9 HA ALA 9 13.166 -6.841 -5.115
68 HB1 ALA 9 HB1 ALA 9 13.548 -9.149 -4.424
69 HB2 ALA 9 HB2 ALA 9 12.656 -9.071 -5.943
70 HB3 ALA 9 HB3 ALA 9 11.810 -9.445 -4.442
71 H SER 10 HN SER 10 10.089 -7.128 -3.552
72 HA SER 10 HA SER 10 8.523 -7.009 -5.940
73 HB2 SER 10 HB2 SER 10 7.777 -6.403 -3.077
74 HB3 SER 10 HB3 SER 10 6.633 -6.575 -4.411
75 HG SER 10 HG SER 10 8.374 -8.669 -4.241
76 H TYR 11 HN TYR 11 10.335 -4.684 -4.243
77 HA TYR 11 HA TYR 11 8.949 -2.558 -5.744
78 HB2 TYR 11 HB2 TYR 11 10.882 -1.925 -3.590
79 HB3 TYR 11 HB3 TYR 11 9.521 -0.987 -4.160
80 HD1 TYR 11 HD1 TYR 11 10.714 -3.346 -1.774
81 HD2 TYR 11 HD2 TYR 11 7.203 -1.677 -3.469
82 HE1 TYR 11 HE1 TYR 11 9.422 -4.112 0.170
83 HE2 TYR 11 HE2 TYR 11 5.894 -2.442 -1.546
84 HH TYR 11 HH TYR 11 7.428 -3.741 1.274
85 H ALA 12 HN ALA 12 11.262 -4.557 -6.372
86 HA ALA 12 HA ALA 12 13.669 -3.153 -6.532
87 HB1 ALA 12 HB1 ALA 12 13.495 -5.572 -6.859
88 HB2 ALA 12 HB2 ALA 12 14.350 -4.800 -8.194
89 HB3 ALA 12 HB3 ALA 12 12.674 -5.308 -8.395
90 H GLY 13 HN GLY 13 13.984 -1.267 -7.503
91 HA2 GLY 13 HA2 GLY 13 14.125 0.313 -9.177
92 HA3 GLY 13 HA1 GLY 13 13.488 -0.886 -10.297
93 H LEU 14 HN LEU 14 11.862 0.038 -7.350
94 HA LEU 14 HA LEU 14 9.793 1.347 -8.984
95 HB2 LEU 14 HB2 LEU 14 9.338 -0.605 -6.728
96 HB3 LEU 14 HB3 LEU 14 8.081 0.271 -7.582
97 HG LEU 14 HG LEU 14 9.919 -1.802 -8.779
98 HD11 LEU 14 HD11 LEU 14 7.014 -1.868 -8.001
99 HD12 LEU 14 HD12 LEU 14 8.327 -2.857 -7.362
100 HD13 LEU 14 HD13 LEU 14 7.788 -3.077 -9.026
101 HD21 LEU 14 HD21 LEU 14 7.649 -0.245 -10.013
102 HD22 LEU 14 HD22 LEU 14 8.484 -1.604 -10.766
103 HD23 LEU 14 HD23 LEU 14 9.361 -0.114 -10.420
104 H THR 15 HN THR 15 8.337 2.698 -7.767
105 HA THR 15 HA THR 15 9.789 4.116 -5.646
106 HB THR 15 HB THR 15 7.401 5.329 -6.928
107 HG1 THR 15 HG1 THR 15 8.359 4.516 -8.777
108 HG21 THR 15 HG21 THR 15 10.157 6.454 -6.451
109 HG22 THR 15 HG22 THR 15 8.881 6.460 -5.236
110 HG23 THR 15 HG23 THR 15 8.666 7.347 -6.745
111 H VAL 16 HN VAL 16 9.083 3.879 -3.648
112 HA VAL 16 HA VAL 16 6.339 2.878 -3.210
113 HB VAL 16 HB VAL 16 7.127 1.841 -1.182
114 HG11 VAL 16 HG11 VAL 16 8.618 0.158 -2.165
115 HG12 VAL 16 HG12 VAL 16 8.882 1.221 -3.549
116 HG13 VAL 16 HG13 VAL 16 7.275 0.566 -3.233
117 HG21 VAL 16 HG21 VAL 16 9.473 1.835 -0.551
118 HG22 VAL 16 HG22 VAL 16 8.834 3.479 -0.586
119 HG23 VAL 16 HG23 VAL 16 9.851 2.900 -1.905
120 H SER 17 HN SER 17 5.259 3.572 -1.310
121 HA SER 17 HA SER 17 5.439 6.393 -1.014
122 HB2 SER 17 HB2 SER 17 3.712 4.598 0.657
123 HB3 SER 17 HB3 SER 17 3.384 6.220 0.062
124 HG SER 17 HG SER 17 3.495 5.211 -2.098
125 H ALA 18 HN ALA 18 5.530 7.490 1.136
126 HA ALA 18 HA ALA 18 7.885 6.910 2.449
127 HB1 ALA 18 HB1 ALA 18 5.550 8.424 3.602
128 HB2 ALA 18 HB2 ALA 18 6.773 9.088 2.521
129 HB3 ALA 18 HB3 ALA 18 7.230 8.518 4.127
130 HA PRO 19 HA PRO 19 5.199 4.799 6.052
131 HB2 PRO 19 HB2 PRO 19 3.196 3.552 4.229
132 HB3 PRO 19 HB3 PRO 19 3.010 4.108 5.898
133 HG2 PRO 19 HG2 PRO 19 2.043 5.558 3.913
134 HG3 PRO 19 HG3 PRO 19 2.865 6.347 5.268
135 HD2 PRO 19 HD2 PRO 19 3.865 5.797 2.508
136 HD3 PRO 19 HD3 PRO 19 4.114 7.220 3.537
137 H VAL 20 HN VAL 20 5.437 3.395 2.796
138 HA VAL 20 HA VAL 20 6.215 0.830 3.884
139 HB VAL 20 HB VAL 20 5.008 0.301 2.038
140 HG11 VAL 20 HG11 VAL 20 4.389 2.539 1.444
141 HG12 VAL 20 HG12 VAL 20 4.839 1.647 -0.009
142 HG13 VAL 20 HG13 VAL 20 5.962 2.811 0.695
143 HG21 VAL 20 HG21 VAL 20 7.692 0.834 0.771
144 HG22 VAL 20 HG22 VAL 20 6.412 -0.127 0.025
145 HG23 VAL 20 HG23 VAL 20 7.165 -0.668 1.530
146 H PHE 21 HN PHE 21 7.638 3.561 2.212
147 HA PHE 21 HA PHE 21 10.186 2.514 1.705
148 HB2 PHE 21 HB2 PHE 21 9.196 4.661 0.800
149 HB3 PHE 21 HB3 PHE 21 9.525 5.386 2.365
150 HD1 PHE 21 HD1 PHE 21 11.756 5.917 3.043
151 HD2 PHE 21 HD2 PHE 21 10.986 4.048 -0.690
152 HE1 PHE 21 HE1 PHE 21 14.063 6.396 2.336
153 HE2 PHE 21 HE2 PHE 21 13.289 4.505 -1.405
154 HZ PHE 21 HZ PHE 21 14.838 5.675 0.105
155 H ALA 22 HN ALA 22 9.034 4.547 4.388
156 HA ALA 22 HA ALA 22 11.474 4.557 5.796
157 HB1 ALA 22 HB1 ALA 22 9.750 6.242 6.148
158 HB2 ALA 22 HB2 ALA 22 10.173 5.446 7.663
159 HB3 ALA 22 HB3 ALA 22 8.680 5.018 6.829
160 H ALA 23 HN ALA 23 8.659 2.443 5.915
161 HA ALA 23 HA ALA 23 9.507 1.016 8.234
162 HB1 ALA 23 HB1 ALA 23 7.521 0.322 6.076
163 HB2 ALA 23 HB2 ALA 23 7.176 1.046 7.647
164 HB3 ALA 23 HB3 ALA 23 7.768 -0.612 7.555
165 H LEU 24 HN LEU 24 9.837 0.620 4.769
166 HA LEU 24 HA LEU 24 11.195 -1.827 4.720
167 HB2 LEU 24 HB2 LEU 24 10.707 0.424 2.970
168 HB3 LEU 24 HB3 LEU 24 12.320 -0.211 2.753
169 HG LEU 24 HG LEU 24 11.549 -2.246 1.928
170 HD11 LEU 24 HD11 LEU 24 8.844 -1.598 3.089
171 HD12 LEU 24 HD12 LEU 24 9.981 -2.802 3.698
172 HD13 LEU 24 HD13 LEU 24 9.232 -3.020 2.117
173 HD21 LEU 24 HD21 LEU 24 11.159 -0.429 0.395
174 HD22 LEU 24 HD22 LEU 24 9.582 -0.126 1.120
175 HD23 LEU 24 HD23 LEU 24 9.873 -1.627 0.235
176 H VAL 25 HN VAL 25 12.459 1.509 4.860
177 HA VAL 25 HA VAL 25 15.171 0.802 5.139
178 HB VAL 25 HB VAL 25 13.770 3.261 6.217
179 HG11 VAL 25 HG11 VAL 25 15.896 2.929 7.330
180 HG12 VAL 25 HG12 VAL 25 16.020 4.274 6.192
181 HG13 VAL 25 HG13 VAL 25 16.700 2.700 5.776
182 HG21 VAL 25 HG21 VAL 25 15.285 2.820 3.646
183 HG22 VAL 25 HG22 VAL 25 14.618 4.356 4.200
184 HG23 VAL 25 HG23 VAL 25 13.539 3.020 3.801
185 H THR 26 HN THR 26 12.561 0.958 7.408
186 HA THR 26 HA THR 26 14.077 0.793 9.791
187 HB THR 26 HB THR 26 11.234 -0.077 9.195
188 HG1 THR 26 HG1 THR 26 11.802 2.218 9.048
189 HG21 THR 26 HG21 THR 26 12.602 0.265 11.868
190 HG22 THR 26 HG22 THR 26 12.098 -1.266 11.149
191 HG23 THR 26 HG23 THR 26 10.888 -0.070 11.617
192 H VAL 27 HN VAL 27 12.980 -1.575 7.471
193 HA VAL 27 HA VAL 27 13.755 -3.784 9.225
194 HB VAL 27 HB VAL 27 12.039 -3.647 6.747
195 HG11 VAL 27 HG11 VAL 27 13.273 -5.725 6.762
196 HG12 VAL 27 HG12 VAL 27 11.556 -5.980 7.054
197 HG13 VAL 27 HG13 VAL 27 12.700 -6.059 8.396
198 HG21 VAL 27 HG21 VAL 27 10.215 -4.075 8.164
199 HG22 VAL 27 HG22 VAL 27 11.139 -2.762 8.891
200 HG23 VAL 27 HG23 VAL 27 11.273 -4.398 9.538
201 H TYR 28 HN TYR 28 13.903 -2.928 5.804
202 HA TYR 28 HA TYR 28 16.086 -4.753 5.285
203 HB2 TYR 28 HB2 TYR 28 14.662 -2.817 3.452
204 HB3 TYR 28 HB3 TYR 28 15.729 -4.122 2.948
205 HD1 TYR 28 HD1 TYR 28 15.023 -6.509 3.424
206 HD2 TYR 28 HD2 TYR 28 12.400 -3.199 3.877
207 HE1 TYR 28 HE1 TYR 28 13.098 -8.036 3.403
208 HE2 TYR 28 HE2 TYR 28 10.472 -4.709 3.858
209 HH TYR 28 HH TYR 28 10.784 -8.078 4.183
210 H GLY 29 HN GLY 29 15.550 -1.371 5.780
211 HA2 GLY 29 HA2 GLY 29 17.182 0.187 6.382
212 HA3 GLY 29 HA1 GLY 29 18.416 -0.921 5.801
213 H ALA 30 HN ALA 30 18.478 1.784 5.216
214 HA ALA 30 HA ALA 30 17.419 2.354 2.649
215 HB1 ALA 30 HB1 ALA 30 19.813 3.556 4.042
216 HB2 ALA 30 HB2 ALA 30 18.147 4.119 4.178
217 HB3 ALA 30 HB3 ALA 30 18.994 4.228 2.633
218 H TYR 31 HN TYR 31 20.123 0.583 3.801
219 HA TYR 31 HA TYR 31 21.778 0.575 1.523
220 HB2 TYR 31 HB2 TYR 31 22.055 -0.308 4.020
221 HB3 TYR 31 HB3 TYR 31 21.562 -1.825 3.281
222 HD1 TYR 31 HD1 TYR 31 23.069 -3.044 1.858
223 HD2 TYR 31 HD2 TYR 31 24.131 0.795 3.337
224 HE1 TYR 31 HE1 TYR 31 25.396 -3.422 1.158
225 HE2 TYR 31 HE2 TYR 31 26.460 0.432 2.641
226 HH TYR 31 HH TYR 31 27.972 -1.354 2.137
227 H ALA 32 HN ALA 32 19.403 -1.861 2.644
228 HA ALA 32 HA ALA 32 19.571 -3.432 0.320
229 HB1 ALA 32 HB1 ALA 32 17.531 -4.522 1.138
230 HB2 ALA 32 HB2 ALA 32 17.367 -3.259 2.359
231 HB3 ALA 32 HB3 ALA 32 18.751 -4.350 2.399
232 H LEU 33 HN LEU 33 17.366 -0.810 1.270
233 HA LEU 33 HA LEU 33 15.662 -1.052 -0.945
234 HB2 LEU 33 HB2 LEU 33 16.156 0.917 1.167
235 HB3 LEU 33 HB3 LEU 33 15.611 1.644 -0.338
236 HG LEU 33 HG LEU 33 13.625 0.230 -0.317
237 HD11 LEU 33 HD11 LEU 33 14.545 -0.776 2.363
238 HD12 LEU 33 HD12 LEU 33 14.752 -1.680 0.864
239 HD13 LEU 33 HD13 LEU 33 13.134 -1.282 1.435
240 HD21 LEU 33 HD21 LEU 33 13.651 2.410 0.848
241 HD22 LEU 33 HD22 LEU 33 14.048 1.562 2.343
242 HD23 LEU 33 HD23 LEU 33 12.507 1.261 1.540
243 H TYR 34 HN TYR 34 18.686 0.698 -0.502
244 HA TYR 34 HA TYR 34 18.659 2.004 -3.025
245 HB2 TYR 34 HB2 TYR 34 20.135 2.962 -1.491
246 HB3 TYR 34 HB3 TYR 34 20.738 1.403 -0.947
247 HD1 TYR 34 HD1 TYR 34 20.977 3.966 -3.577
248 HD2 TYR 34 HD2 TYR 34 22.532 0.298 -2.070
249 HE1 TYR 34 HE1 TYR 34 22.922 4.188 -5.066
250 HE2 TYR 34 HE2 TYR 34 24.486 0.515 -3.557
251 HH TYR 34 HH TYR 34 25.271 3.381 -5.154
252 H ARG 35 HN ARG 35 19.541 -1.132 -1.868
253 HA ARG 35 HA ARG 35 21.226 -1.915 -4.003
254 HB2 ARG 35 HB2 ARG 35 19.792 -3.274 -1.785
255 HB3 ARG 35 HB3 ARG 35 20.426 -4.267 -3.095
256 HG2 ARG 35 HG2 ARG 35 22.653 -3.331 -2.669
257 HG3 ARG 35 HG3 ARG 35 21.988 -2.400 -1.328
258 HD2 ARG 35 HD2 ARG 35 21.381 -4.393 -0.160
259 HD3 ARG 35 HD3 ARG 35 21.816 -5.396 -1.541
260 HE ARG 35 HE ARG 35 24.079 -3.948 -0.792
261 HH11 ARG 35 HH11 ARG 35 21.994 -6.400 0.584
262 HH12 ARG 35 HH12 ARG 35 23.278 -7.197 1.437
263 HH21 ARG 35 HH21 ARG 35 25.779 -5.013 0.326
264 HH22 ARG 35 HH22 ARG 35 25.425 -6.409 1.292
265 H TYR 36 HN TYR 36 17.794 -2.061 -3.431
266 HA TYR 36 HA TYR 36 17.409 -3.507 -5.948
267 HB2 TYR 36 HB2 TYR 36 15.594 -2.994 -3.600
268 HB3 TYR 36 HB3 TYR 36 15.018 -3.695 -5.111
269 HD1 TYR 36 HD1 TYR 36 15.369 -5.969 -5.601
270 HD2 TYR 36 HD2 TYR 36 17.372 -4.187 -2.311
271 HE1 TYR 36 HE1 TYR 36 16.134 -8.188 -4.872
272 HE2 TYR 36 HE2 TYR 36 18.144 -6.386 -1.566
273 HH TYR 36 HH TYR 36 17.693 -8.693 -1.808
274 H ASN 37 HN ASN 37 17.882 -0.481 -5.287
275 HA ASN 37 HA ASN 37 17.238 1.558 -6.037
276 HB2 ASN 37 HB2 ASN 37 17.670 0.363 -8.230
277 HB3 ASN 37 HB3 ASN 37 15.932 0.113 -8.344
278 HD21 ASN 37 HD21 ASN 37 15.632 1.391 -10.138
279 HD22 ASN 37 HD22 ASN 37 15.837 3.104 -10.128
280 H ILE 38 HN ILE 38 15.645 0.671 -4.107
281 HA ILE 38 HA ILE 38 12.897 1.143 -4.915
282 HB ILE 38 HB ILE 38 14.074 0.604 -2.188
283 HG12 ILE 38 HG12 ILE 38 12.605 -1.215 -4.106
284 HG13 ILE 38 HG11 ILE 38 14.331 -1.259 -3.785
285 HG21 ILE 38 HG21 ILE 38 11.209 0.657 -3.124
286 HG22 ILE 38 HG22 ILE 38 11.976 1.820 -2.041
287 HG23 ILE 38 HG23 ILE 38 11.753 0.149 -1.525
288 HD11 ILE 38 HD11 ILE 38 13.224 -3.011 -2.590
289 HD12 ILE 38 HD12 ILE 38 12.143 -1.844 -1.823
290 HD13 ILE 38 HD13 ILE 38 13.867 -1.822 -1.457
291 H ARG 39 HN ARG 39 12.105 3.088 -4.990
292 HA ARG 39 HA ARG 39 13.568 5.252 -3.652
293 HB2 ARG 39 HB2 ARG 39 12.425 6.592 -5.605
294 HB3 ARG 39 HB3 ARG 39 13.924 5.724 -5.858
295 HG2 ARG 39 HG2 ARG 39 12.541 3.805 -6.678
296 HG3 ARG 39 HG3 ARG 39 11.173 4.904 -6.642
297 HD2 ARG 39 HD2 ARG 39 12.661 6.445 -8.075
298 HD3 ARG 39 HD3 ARG 39 13.606 4.982 -8.368
299 HE ARG 39 HE ARG 39 10.757 4.772 -8.849
300 HH11 ARG 39 HH11 ARG 39 13.920 5.402 -10.207
301 HH12 ARG 39 HH12 ARG 39 13.448 5.008 -11.830
302 HH21 ARG 39 HH21 ARG 39 10.131 4.230 -10.997
303 HH22 ARG 39 HH22 ARG 39 11.299 4.337 -12.274
304 H ARG 40 HN ARG 40 12.115 7.261 -3.386
305 HA ARG 40 HA ARG 40 9.692 6.229 -2.075
306 HB2 ARG 40 HB2 ARG 40 11.577 7.333 -0.735
307 HB3 ARG 40 HB3 ARG 40 11.011 8.849 -1.423
308 HG2 ARG 40 HG2 ARG 40 8.827 8.516 -0.427
309 HG3 ARG 40 HG3 ARG 40 9.337 6.949 0.204
310 HD2 ARG 40 HD2 ARG 40 9.550 8.427 2.012
311 HD3 ARG 40 HD3 ARG 40 11.184 8.209 1.404
312 HE ARG 40 HE ARG 40 9.792 10.477 0.296
313 HH11 ARG 40 HH11 ARG 40 11.831 9.347 2.905
314 HH12 ARG 40 HH12 ARG 40 12.473 10.920 3.251
315 HH21 ARG 40 HH21 ARG 40 10.612 12.543 0.758
316 HH22 ARG 40 HH22 ARG 40 11.776 12.744 2.029
317 H ARG 41 HN ARG 41 7.749 7.021 -2.486
318 HA ARG 41 HA ARG 41 7.552 9.077 -4.607
319 HB2 ARG 41 HB2 ARG 41 5.628 7.913 -5.476
320 HB3 ARG 41 HB3 ARG 41 6.941 6.754 -5.311
321 HG2 ARG 41 HG2 ARG 41 5.983 5.922 -3.245
322 HG3 ARG 41 HG3 ARG 41 4.694 7.120 -3.341
323 HD2 ARG 41 HD2 ARG 41 5.195 4.812 -5.208
324 HD3 ARG 41 HD3 ARG 41 3.846 5.019 -4.086
325 HE ARG 41 HE ARG 41 3.789 7.201 -5.776
326 HH11 ARG 41 HH11 ARG 41 3.500 3.722 -6.101
327 HH12 ARG 41 HH12 ARG 41 2.500 3.813 -7.515
328 HH21 ARG 41 HH21 ARG 41 2.496 7.319 -7.624
329 HH22 ARG 41 HH22 ARG 41 1.919 5.866 -8.377
330 H GLU 42 HN GLU 42 5.251 9.956 -4.733
331 HA GLU 42 HA GLU 42 4.356 11.024 -2.236
332 HB2 GLU 42 HB2 GLU 42 3.172 11.040 -5.017
333 HB3 GLU 42 HB3 GLU 42 2.472 11.903 -3.655
334 HG2 GLU 42 HG2 GLU 42 4.333 13.352 -3.501
335 HG3 GLU 42 HG3 GLU 42 5.289 12.354 -4.596
336 H ASN 43 HN ASN 43 1.924 10.812 -1.707
337 HA ASN 43 HA ASN 43 0.760 8.282 -2.305
338 HB2 ASN 43 HB2 ASN 43 0.870 7.298 -0.093
339 HB3 ASN 43 HB3 ASN 43 2.466 7.572 -0.755
340 HD21 ASN 43 HD21 ASN 43 2.690 10.351 -0.051
341 HD22 ASN 43 HD22 ASN 43 2.798 10.431 1.670
342 H SER 44 HN SER 44 -0.803 9.871 -2.947
343 HA SER 44 HA SER 44 -2.475 10.756 -0.713
344 HB2 SER 44 HB2 SER 44 -2.197 11.814 -3.528
345 HB3 SER 44 HB3 SER 44 -3.321 12.423 -2.330
346 HG SER 44 HG SER 44 -0.664 12.907 -2.614
347 H TYR 45 HN TYR 45 -2.315 8.201 -2.637
348 HA TYR 45 HA TYR 45 -5.159 7.786 -2.682
349 HB2 TYR 45 HB2 TYR 45 -5.386 7.451 -5.056
350 HB3 TYR 45 HB3 TYR 45 -4.720 9.050 -4.760
351 HD1 TYR 45 HD1 TYR 45 -2.267 9.434 -5.105
352 HD2 TYR 45 HD2 TYR 45 -4.228 5.881 -6.394
353 HE1 TYR 45 HE1 TYR 45 -0.409 8.979 -6.630
354 HE2 TYR 45 HE2 TYR 45 -2.371 5.416 -7.934
355 HH TYR 45 HH TYR 45 -0.600 6.538 -9.063
356 H GLN 46 HN GLN 46 -5.189 5.683 -4.509
357 HA GLN 46 HA GLN 46 -4.390 3.566 -2.766
358 HB2 GLN 46 HB2 GLN 46 -5.425 2.148 -4.443
359 HB3 GLN 46 HB3 GLN 46 -6.479 3.482 -3.987
360 HG2 GLN 46 HG2 GLN 46 -5.821 4.683 -6.010
361 HG3 GLN 46 HG1 GLN 46 -4.752 3.361 -6.458
362 HE21 GLN 46 HE21 GLN 46 -7.951 4.532 -6.345
363 HE22 GLN 46 HE22 GLN 46 -8.685 3.253 -7.249
364 H ARG 47 HN ARG 47 -2.015 4.407 -3.272
365 HA ARG 47 HA ARG 47 -0.943 3.176 -5.663
366 HB2 ARG 47 HB2 ARG 47 0.992 4.436 -5.375
367 HB3 ARG 47 HB3 ARG 47 -0.290 5.505 -4.860
368 HG2 ARG 47 HG2 ARG 47 1.314 3.898 -2.908
369 HG3 ARG 47 HG3 ARG 47 1.867 5.454 -3.512
370 HD2 ARG 47 HD2 ARG 47 0.831 6.002 -1.523
371 HD3 ARG 47 HD3 ARG 47 -0.416 6.332 -2.717
372 HE ARG 47 HE ARG 47 -1.725 4.846 -1.622
373 HH11 ARG 47 HH11 ARG 47 1.615 3.894 -1.045
374 HH12 ARG 47 HH12 ARG 47 1.179 2.622 0.050
375 HH21 ARG 47 HH21 ARG 47 -2.287 3.209 -0.151
376 HH22 ARG 47 HH22 ARG 47 -1.035 2.233 0.559
377 H ILE 48 HN ILE 48 -1.959 1.332 -4.028
378 HA ILE 48 HA ILE 48 0.141 0.169 -2.380
379 HB ILE 48 HB ILE 48 -2.619 -0.922 -2.962
380 HG12 ILE 48 HG12 ILE 48 -1.706 0.696 -0.574
381 HG13 ILE 48 HG11 ILE 48 -2.643 1.349 -1.913
382 HG21 ILE 48 HG21 ILE 48 -1.049 -2.588 -2.136
383 HG22 ILE 48 HG22 ILE 48 -2.257 -2.215 -0.908
384 HG23 ILE 48 HG23 ILE 48 -0.632 -1.544 -0.776
385 HD11 ILE 48 HD11 ILE 48 -4.499 -0.065 -1.367
386 HD12 ILE 48 HD12 ILE 48 -3.990 0.803 0.082
387 HD13 ILE 48 HD13 ILE 48 -3.556 -0.893 -0.131
388 H ARG 49 HN ARG 49 1.351 -1.569 -2.938
389 HA ARG 49 HA ARG 49 1.036 -2.636 -5.629
390 HB2 ARG 49 HB2 ARG 49 3.277 -2.749 -3.631
391 HB3 ARG 49 HB3 ARG 49 3.273 -3.742 -5.084
392 HG2 ARG 49 HG2 ARG 49 3.035 -0.746 -5.091
393 HG3 ARG 49 HG3 ARG 49 4.558 -1.621 -5.301
394 HD2 ARG 49 HD2 ARG 49 3.679 -2.704 -7.287
395 HD3 ARG 49 HD3 ARG 49 2.120 -1.925 -7.052
396 HE ARG 49 HE ARG 49 4.240 -0.030 -7.277
397 HH11 ARG 49 HH11 ARG 49 2.095 -2.102 -9.110
398 HH12 ARG 49 HH12 ARG 49 2.188 -1.140 -10.552
399 HH21 ARG 49 HH21 ARG 49 4.354 1.247 -9.180
400 HH22 ARG 49 HH22 ARG 49 3.463 0.768 -10.591
401 H SER 50 HN SER 50 -0.998 -3.502 -4.400
402 HA SER 50 HA SER 50 -2.227 -5.295 -3.838
403 HB2 SER 50 HB2 SER 50 0.161 -6.827 -4.876
404 HB3 SER 50 HB3 SER 50 -1.486 -7.416 -4.712
405 HG SER 50 HG SER 50 -0.403 -5.686 -6.596
406 H ASP 51 HN ASP 51 -1.866 -7.696 -2.786
407 HA ASP 51 HA ASP 51 0.070 -7.755 -0.664
408 HB2 ASP 51 HB2 ASP 51 -1.853 -6.317 0.207
409 HB3 ASP 51 HB3 ASP 51 -2.836 -7.772 0.147
410 H HIS 52 HN HIS 52 -3.169 -9.154 -0.957
411 HA HIS 52 HA HIS 52 -2.051 -11.677 -1.871
412 HB2 HIS 52 HB2 HIS 52 -2.283 -11.394 0.818
413 HB3 HIS 52 HB3 HIS 52 -3.885 -12.010 0.428
414 HD1 HIS 52 HD1 HIS 52 -4.065 -14.499 0.249
415 HD2 HIS 52 HD2 HIS 52 -0.157 -13.154 -0.195
416 HE1 HIS 52 HE1 HIS 52 -2.649 -16.571 0.107
417 HE2 HIS 52 HE2 HIS 52 -0.310 -15.733 -0.311
418 H ASP 53 HN ASP 53 -5.101 -10.678 -0.327
419 HA ASP 53 HA ASP 53 -6.586 -11.748 -2.619
420 HB2 ASP 53 HB2 ASP 53 -7.748 -10.583 -0.078
421 HB3 ASP 53 HB3 ASP 53 -8.539 -11.647 -1.235
422 H SER 54 HN SER 54 -4.988 -9.230 -2.558
423 HA SER 54 HA SER 54 -6.783 -7.036 -2.363
424 HB2 SER 54 HB2 SER 54 -4.753 -5.858 -3.455
425 HB3 SER 54 HB3 SER 54 -4.567 -6.538 -1.839
426 HG SER 54 HG SER 54 -3.851 -7.860 -4.257
427 H HIS 55 HN HIS 55 -7.565 -5.708 -3.961
428 HA HIS 55 HA HIS 55 -7.205 -6.191 -6.729
429 HB2 HIS 55 HB2 HIS 55 -9.564 -6.791 -7.270
430 HB3 HIS 55 HB3 HIS 55 -8.683 -8.067 -6.450
431 HD1 HIS 55 HD1 HIS 55 -11.778 -6.149 -6.278
432 HD2 HIS 55 HD2 HIS 55 -9.359 -8.239 -3.631
433 HE1 HIS 55 HE1 HIS 55 -13.219 -6.606 -4.271
434 HE2 HIS 55 HE2 HIS 55 -11.804 -8.094 -2.802
435 H SER 56 HN SER 56 -9.111 -4.952 -7.935
436 HA SER 56 HA SER 56 -9.054 -2.292 -6.804
437 HB2 SER 56 HB2 SER 56 -10.280 -1.791 -9.034
438 HB3 SER 56 HB3 SER 56 -8.595 -2.310 -9.102
439 HG SER 56 HG SER 56 -10.935 -3.737 -9.744
440 H CYS 57 HN CYS 57 -10.851 -1.011 -6.335
441 HA CYS 57 HA CYS 57 -13.530 -2.073 -6.607
442 HB2 CYS 57 HB2 CYS 57 -14.062 -1.713 -4.203
443 HB3 CYS 57 HB3 CYS 57 -12.924 -3.031 -4.459
444 H ALA 58 HN ALA 58 -15.055 -0.336 -5.410
445 HA ALA 58 HA ALA 58 -15.897 1.766 -5.423
446 HB1 ALA 58 HB1 ALA 58 -13.007 2.588 -5.116
447 HB2 ALA 58 HB2 ALA 58 -14.119 2.209 -3.801
448 HB3 ALA 58 HB3 ALA 58 -14.410 3.615 -4.824
449 H ASN 59 HN ASN 59 -15.395 0.531 -7.905
450 HA ASN 59 HA ASN 59 -15.138 0.875 -10.139
451 HB2 ASN 59 HB2 ASN 59 -15.768 3.719 -9.313
452 HB3 ASN 59 HB3 ASN 59 -15.627 3.205 -10.991
453 HD21 ASN 59 HD21 ASN 59 -17.764 3.731 -11.431
454 HD22 ASN 59 HD22 ASN 59 -19.087 2.780 -10.847
455 H ASN 60 HN ASN 60 -12.889 0.589 -8.764
456 HA ASN 60 HA ASN 60 -10.646 0.775 -8.798
457 HB2 ASN 60 HB2 ASN 60 -11.262 0.886 -11.371
458 HB3 ASN 60 HB3 ASN 60 -10.642 2.525 -11.211
459 HD21 ASN 60 HD21 ASN 60 -8.743 1.528 -9.035
460 HD22 ASN 60 HD22 ASN 60 -7.468 0.774 -9.933
461 H ARG 61 HN ARG 61 -12.442 3.024 -7.726
462 HA ARG 61 HA ARG 61 -10.453 5.161 -7.638
463 HB2 ARG 61 HB2 ARG 61 -13.261 4.966 -6.547
464 HB3 ARG 61 HB3 ARG 61 -12.192 6.322 -6.211
465 HG2 ARG 61 HG2 ARG 61 -12.099 6.896 -8.541
466 HG3 ARG 61 HG3 ARG 61 -13.014 5.450 -8.972
467 HD2 ARG 61 HD2 ARG 61 -14.049 7.675 -7.219
468 HD3 ARG 61 HD3 ARG 61 -14.378 7.526 -8.946
469 HE ARG 61 HE ARG 61 -15.100 5.122 -7.721
470 HH11 ARG 61 HH11 ARG 61 -16.083 8.480 -7.660
471 HH12 ARG 61 HH12 ARG 61 -17.754 8.116 -7.375
472 HH21 ARG 61 HH21 ARG 61 -17.310 4.641 -7.356
473 HH22 ARG 61 HH22 ARG 61 -18.454 5.936 -7.224
474 H GLY 62 HN GLY 62 -10.971 2.306 -6.145
475 HA2 GLY 62 HA2 GLY 62 -9.211 3.117 -3.968
476 HA3 GLY 62 HA1 GLY 62 -10.728 2.349 -3.517
477 H TRP 63 HN TRP 63 -7.706 1.599 -3.532
478 HA TRP 63 HA TRP 63 -7.954 -1.020 -4.783
479 HB2 TRP 63 HB2 TRP 63 -5.795 0.175 -4.909
480 HB3 TRP 63 HB3 TRP 63 -5.679 0.139 -3.152
481 HD1 TRP 63 HD1 TRP 63 -4.623 -1.973 -2.086
482 HE1 TRP 63 HE1 TRP 63 -3.770 -4.218 -2.992
483 HE3 TRP 63 HE3 TRP 63 -6.343 -1.593 -6.870
484 HZ2 TRP 63 HZ2 TRP 63 -3.810 -5.640 -5.453
485 HZ3 TRP 63 HZ3 TRP 63 -5.904 -3.422 -8.437
486 HH2 TRP 63 HH2 TRP 63 -4.671 -5.411 -7.745
487 H CYS 64 HN CYS 64 -8.211 -2.936 -3.700
488 HA CYS 64 HA CYS 64 -9.168 -2.779 -0.970
489 HB2 CYS 64 HB2 CYS 64 -8.982 -5.089 -2.897
490 HB3 CYS 64 HB3 CYS 64 -9.677 -5.198 -1.287
491 H ARG 65 HN ARG 65 -7.979 -3.118 0.754
492 HA ARG 65 HA ARG 65 -5.733 -5.008 0.618
493 HB2 ARG 65 HB2 ARG 65 -5.396 -2.229 0.792
494 HB3 ARG 65 HB3 ARG 65 -5.203 -2.801 2.434
495 HG2 ARG 65 HG2 ARG 65 -3.615 -4.553 1.331
496 HG3 ARG 65 HG3 ARG 65 -3.545 -3.359 0.037
497 HD2 ARG 65 HD2 ARG 65 -2.637 -1.713 1.460
498 HD3 ARG 65 HD3 ARG 65 -3.072 -2.616 2.910
499 HE ARG 65 HE ARG 65 -1.090 -3.706 1.040
500 HH11 ARG 65 HH11 ARG 65 -1.901 -2.471 4.210
501 HH12 ARG 65 HH12 ARG 65 -0.452 -3.070 4.955
502 HH21 ARG 65 HH21 ARG 65 0.816 -4.512 2.027
503 HH22 ARG 65 HH22 ARG 65 1.090 -4.228 3.715
504 HA PRO 66 HA PRO 66 -7.470 -6.368 4.493
505 HB2 PRO 66 HB2 PRO 66 -4.949 -6.735 5.842
506 HB3 PRO 66 HB3 PRO 66 -6.020 -7.956 5.168
507 HG2 PRO 66 HG2 PRO 66 -3.533 -7.299 4.170
508 HG3 PRO 66 HG3 PRO 66 -4.809 -8.123 3.261
509 HD2 PRO 66 HD2 PRO 66 -3.915 -5.300 3.155
510 HD3 PRO 66 HD3 PRO 66 -4.623 -6.313 1.881
511 H THR 67 HN THR 67 -5.035 -3.886 4.507
512 HA THR 67 HA THR 67 -6.429 -2.452 6.608
513 HB THR 67 HB THR 67 -3.462 -2.906 6.915
514 HG1 THR 67 HG1 THR 67 -5.659 -4.313 8.065
515 HG21 THR 67 HG21 THR 67 -5.572 -1.859 8.802
516 HG22 THR 67 HG22 THR 67 -4.348 -0.894 7.977
517 HG23 THR 67 HG23 THR 67 -3.866 -2.077 9.193
518 H CYS 68 HN CYS 68 -5.973 -0.218 6.561
519 HA CYS 68 HA CYS 68 -4.765 0.638 4.017
520 HB2 CYS 68 HB2 CYS 68 -6.957 1.931 5.652
521 HB3 CYS 68 HB3 CYS 68 -6.341 2.530 4.119
522 H PHE 69 HN PHE 69 -3.607 2.632 3.953
523 HA PHE 69 HA PHE 69 -2.346 3.291 6.526
524 HB2 PHE 69 HB2 PHE 69 -1.444 3.879 3.701
525 HB3 PHE 69 HB3 PHE 69 -0.570 4.334 5.156
526 HD1 PHE 69 HD1 PHE 69 0.395 2.593 6.605
527 HD2 PHE 69 HD2 PHE 69 -1.305 1.674 2.815
528 HE1 PHE 69 HE1 PHE 69 1.568 0.444 6.604
529 HE2 PHE 69 HE2 PHE 69 -0.133 -0.482 2.808
530 HZ PHE 69 HZ PHE 69 1.307 -1.106 4.703
531 H SER 70 HN SER 70 -1.684 5.590 6.796
532 HA SER 70 HA SER 70 -4.029 7.185 6.804
533 HB2 SER 70 HB2 SER 70 -2.370 8.944 7.680
534 HB3 SER 70 HB3 SER 70 -2.591 7.475 8.629
535 HG SER 70 HG SER 70 -0.499 7.933 6.758
536 H HIS 71 HN HIS 71 -4.716 7.614 4.742
537 HA HIS 71 HA HIS 71 -4.257 9.713 3.244
538 HB2 HIS 71 HB2 HIS 71 -2.685 9.085 1.403
539 HB3 HIS 71 HB3 HIS 71 -1.883 9.332 2.944
540 HD1 HIS 71 HD1 HIS 71 0.098 7.796 2.723
541 HD2 HIS 71 HD2 HIS 71 -3.494 5.949 1.783
542 HE1 HIS 71 HE1 HIS 71 0.659 5.372 2.354
543 HE2 HIS 71 HE2 HIS 71 -1.575 4.251 1.972
544 H GLU 72 HN GLU 72 -4.973 6.500 3.649
545 HA GLU 72 HA GLU 72 -7.162 6.791 1.754
546 HB2 GLU 72 HB2 GLU 72 -6.960 4.482 1.001
547 HB3 GLU 72 HB3 GLU 72 -5.483 5.375 0.630
548 HG2 GLU 72 HG2 GLU 72 -4.953 4.325 3.108
549 HG3 GLU 72 HG3 GLU 72 -5.893 3.051 2.339
550 H TYR 73 HN TYR 73 -9.072 5.840 2.517
551 HA TYR 73 HA TYR 73 -8.912 5.042 5.351
552 HB2 TYR 73 HB2 TYR 73 -11.197 6.049 5.568
553 HB3 TYR 73 HB3 TYR 73 -9.932 7.212 5.196
554 HD1 TYR 73 HD1 TYR 73 -10.031 8.538 3.263
555 HD2 TYR 73 HD2 TYR 73 -12.726 5.280 3.711
556 HE1 TYR 73 HE1 TYR 73 -11.310 9.333 1.326
557 HE2 TYR 73 HE2 TYR 73 -14.013 6.054 1.769
558 HH TYR 73 HH TYR 73 -14.398 8.046 0.503
559 H THR 74 HN THR 74 -10.899 3.868 6.085
560 HA THR 74 HA THR 74 -11.336 1.587 4.395
561 HB THR 74 HB THR 74 -12.559 2.298 7.073
562 HG1 THR 74 HG1 THR 74 -10.143 1.870 6.777
563 HG21 THR 74 HG21 THR 74 -13.075 -0.108 7.208
564 HG22 THR 74 HG22 THR 74 -12.496 -0.303 5.558
565 HG23 THR 74 HG23 THR 74 -13.918 0.684 5.876
566 H ASP 75 HN ASP 75 -12.569 2.185 2.622
567 HA ASP 75 HA ASP 75 -15.123 3.474 3.028
568 HB2 ASP 75 HB2 ASP 75 -13.926 3.777 0.888
569 HB3 ASP 75 HB3 ASP 75 -14.056 2.051 0.578
570 H TRP 76 HN TRP 76 -16.780 2.460 3.856
571 HA TRP 76 HA TRP 76 -16.695 -0.385 4.243
572 HB2 TRP 76 HB2 TRP 76 -18.577 1.771 5.167
573 HB3 TRP 76 HB3 TRP 76 -18.860 0.066 5.500
574 HD1 TRP 76 HD1 TRP 76 -16.794 3.011 6.648
575 HE1 TRP 76 HE1 TRP 76 -15.348 2.311 8.658
576 HE3 TRP 76 HE3 TRP 76 -17.571 -2.033 6.475
577 HZ2 TRP 76 HZ2 TRP 76 -14.621 -0.069 9.979
578 HZ3 TRP 76 HZ3 TRP 76 -16.453 -3.454 8.142
579 HH2 TRP 76 HH2 TRP 76 -15.006 -2.489 9.853
580 H PHE 77 HN PHE 77 -18.201 1.738 2.006
581 HA PHE 77 HA PHE 77 -20.385 0.084 1.257
582 HB2 PHE 77 HB2 PHE 77 -20.276 2.458 0.645
583 HB3 PHE 77 HB3 PHE 77 -18.859 2.148 -0.352
584 HD1 PHE 77 HD1 PHE 77 -19.107 1.616 -2.594
585 HD2 PHE 77 HD2 PHE 77 -22.427 1.214 0.034
586 HE1 PHE 77 HE1 PHE 77 -20.566 1.145 -4.517
587 HE2 PHE 77 HE2 PHE 77 -23.896 0.747 -1.884
588 HZ PHE 77 HZ PHE 77 -22.963 0.710 -4.165
589 H ASN 78 HN ASN 78 -17.187 0.608 -0.199
590 HA ASN 78 HA ASN 78 -17.518 -1.683 -1.915
591 HB2 ASN 78 HB2 ASN 78 -15.159 0.132 -1.441
592 HB3 ASN 78 HB3 ASN 78 -15.188 -1.167 -2.628
593 HD21 ASN 78 HD21 ASN 78 -16.273 2.006 -1.817
594 HD22 ASN 78 HD22 ASN 78 -16.965 2.374 -3.367
595 H ASN 79 HN ASN 79 -16.517 -1.205 1.271
596 HA ASN 79 HA ASN 79 -14.784 -3.378 1.639
597 HB2 ASN 79 HB2 ASN 79 -15.455 -1.630 3.347
598 HB3 ASN 79 HB3 ASN 79 -16.973 -2.496 3.536
599 HD21 ASN 79 HD21 ASN 79 -14.739 -1.907 5.374
600 HD22 ASN 79 HD22 ASN 79 -14.276 -3.433 6.030
601 H ASP 80 HN ASP 80 -18.244 -3.126 1.200
602 HA ASP 80 HA ASP 80 -18.870 -5.842 1.696
603 HB2 ASP 80 HB2 ASP 80 -20.288 -3.714 0.098
604 HB3 ASP 80 HB3 ASP 80 -20.931 -5.339 0.306
605 H VAL 81 HN VAL 81 -18.004 -4.058 -1.268
606 HA VAL 81 HA VAL 81 -18.381 -6.335 -2.949
607 HB VAL 81 HB VAL 81 -17.533 -5.098 -4.740
608 HG11 VAL 81 HG11 VAL 81 -18.609 -2.902 -4.570
609 HG12 VAL 81 HG12 VAL 81 -18.746 -3.120 -2.826
610 HG13 VAL 81 HG13 VAL 81 -19.615 -4.197 -3.919
611 HG21 VAL 81 HG21 VAL 81 -15.377 -4.463 -3.821
612 HG22 VAL 81 HG22 VAL 81 -16.155 -3.254 -2.800
613 HG23 VAL 81 HG23 VAL 81 -16.180 -3.074 -4.555
614 H CYS 82 HN CYS 82 -15.779 -5.256 -0.959
615 HA CYS 82 HA CYS 82 -13.825 -6.980 -2.216
616 HB2 CYS 82 HB2 CYS 82 -13.706 -5.387 0.351
617 HB3 CYS 82 HB3 CYS 82 -12.351 -6.263 -0.356
618 H GLY 83 HN GLY 83 -16.053 -7.089 0.451
619 HA2 GLY 83 HA2 GLY 83 -16.862 -8.970 1.528
620 HA3 GLY 83 HA1 GLY 83 -15.683 -9.939 0.660
621 H SER 84 HN SER 84 -13.600 -10.197 1.512
622 HA SER 84 HA SER 84 -13.497 -10.094 4.377
623 HB2 SER 84 HB2 SER 84 -11.262 -10.807 2.467
624 HB3 SER 84 HB3 SER 84 -11.401 -11.262 4.164
625 HG SER 84 HG SER 84 -13.526 -12.236 3.307
626 H TYR 85 HN TYR 85 -11.757 -8.498 1.729
627 HA TYR 85 HA TYR 85 -10.176 -6.895 3.515
628 HB2 TYR 85 HB2 TYR 85 -10.529 -7.009 0.541
629 HB3 TYR 85 HB3 TYR 85 -9.665 -5.665 1.289
630 HD1 TYR 85 HD1 TYR 85 -9.187 -8.566 3.230
631 HD2 TYR 85 HD2 TYR 85 -7.918 -6.680 -0.360
632 HE1 TYR 85 HE1 TYR 85 -7.132 -9.897 3.265
633 HE2 TYR 85 HE2 TYR 85 -5.869 -8.011 -0.346
634 HH TYR 85 HH TYR 85 -5.490 -10.747 1.610
635 H ARG 86 HN ARG 86 -10.100 -4.560 3.324
636 HA ARG 86 HA ARG 86 -12.774 -3.382 3.036
637 HB2 ARG 86 HB2 ARG 86 -11.935 -1.570 4.458
638 HB3 ARG 86 HB3 ARG 86 -11.813 -3.119 5.274
639 HG2 ARG 86 HG2 ARG 86 -9.411 -3.194 4.649
640 HG3 ARG 86 HG3 ARG 86 -9.578 -1.569 3.979
641 HD2 ARG 86 HD2 ARG 86 -8.681 -1.398 6.200
642 HD3 ARG 86 HD3 ARG 86 -10.335 -0.787 6.210
643 HE ARG 86 HE ARG 86 -10.089 -3.572 6.925
644 HH11 ARG 86 HH11 ARG 86 -10.199 -0.267 8.088
645 HH12 ARG 86 HH12 ARG 86 -10.509 -0.727 9.736
646 HH21 ARG 86 HH21 ARG 86 -10.523 -4.171 9.084
647 HH22 ARG 86 HH22 ARG 86 -10.711 -2.944 10.298
648 H CYS 87 HN CYS 87 -12.920 -1.363 1.882
649 HA CYS 87 HA CYS 87 -11.022 -1.339 -0.312
650 HB2 CYS 87 HB2 CYS 87 -13.454 -1.253 -0.742
651 HB3 CYS 87 HB3 CYS 87 -13.528 0.299 0.080
652 H CYS 88 HN CYS 88 -9.303 -0.094 -0.295
653 HA CYS 88 HA CYS 88 -9.104 2.073 1.611
654 HB2 CYS 88 HB2 CYS 88 -7.110 0.934 -0.359
655 HB3 CYS 88 HB3 CYS 88 -6.748 2.196 0.812
656 H ARG 89 HN ARG 89 -10.425 3.661 0.878
657 HA ARG 89 HA ARG 89 -10.049 4.752 -1.803
658 HB2 ARG 89 HB2 ARG 89 -12.057 5.094 0.377
659 HB3 ARG 89 HB3 ARG 89 -11.860 6.396 -0.781
660 HG2 ARG 89 HG2 ARG 89 -12.324 3.595 -1.712
661 HG3 ARG 89 HG3 ARG 89 -13.669 4.600 -1.167
662 HD2 ARG 89 HD2 ARG 89 -11.726 5.240 -3.381
663 HD3 ARG 89 HD3 ARG 89 -13.414 4.775 -3.568
664 HE ARG 89 HE ARG 89 -12.509 7.299 -2.329
665 HH11 ARG 89 HH11 ARG 89 -14.904 5.456 -4.118
666 HH12 ARG 89 HH12 ARG 89 -15.893 6.838 -4.449
667 HH21 ARG 89 HH21 ARG 89 -13.799 9.108 -2.787
668 HH22 ARG 89 HH22 ARG 89 -15.268 8.915 -3.694
669 HA PRO 90 HA PRO 90 -6.944 7.656 -0.583
670 HB2 PRO 90 HB2 PRO 90 -8.370 9.454 -2.484
671 HB3 PRO 90 HB3 PRO 90 -6.658 9.021 -2.416
672 HG2 PRO 90 HG2 PRO 90 -8.248 7.957 -4.261
673 HG3 PRO 90 HG3 PRO 90 -6.999 6.978 -3.466
674 HD2 PRO 90 HD2 PRO 90 -9.952 7.009 -3.025
675 HD3 PRO 90 HD3 PRO 90 -8.814 5.648 -2.982
676 H GLY 91 HN GLY 91 -6.941 8.817 1.234
677 HA2 GLY 91 HA2 GLY 91 -7.776 11.157 1.924
678 HA3 GLY 91 HA1 GLY 91 -9.345 10.370 1.904
679 H ARG 92 HN ARG 92 -9.725 10.688 4.057
680 HA ARG 92 HA ARG 92 -8.816 8.717 5.851
681 HB2 ARG 92 HB2 ARG 92 -6.800 10.242 5.697
682 HB3 ARG 92 HB3 ARG 92 -7.785 11.485 6.451
683 HG2 ARG 92 HG2 ARG 92 -7.970 10.228 8.463
684 HG3 ARG 92 HG3 ARG 92 -7.241 8.809 7.705
685 HD2 ARG 92 HD2 ARG 92 -5.704 10.141 9.189
686 HD3 ARG 92 HD3 ARG 92 -5.123 9.876 7.546
687 HE ARG 92 HE ARG 92 -6.527 12.379 8.111
688 HH11 ARG 92 HH11 ARG 92 -3.473 10.739 7.596
689 HH12 ARG 92 HH12 ARG 92 -2.622 12.187 7.165
690 HH21 ARG 92 HH21 ARG 92 -5.402 14.282 7.529
691 HH22 ARG 92 HH22 ARG 92 -3.716 14.192 7.122
692 H AAR 93 HN AAR 93 -11.261 9.676 4.973
693 HA AAR 93 HA AAR 93 -12.422 11.518 6.774
694 HB2 AAR 93 HB2 AAR 93 -14.560 10.837 5.783
695 HB3 AAR 93 HB3 AAR 93 -13.358 11.204 4.564
696 HG2 AAR 93 HG2 AAR 93 -12.995 8.845 4.171
697 HG3 AAR 93 HG3 AAR 93 -14.138 8.437 5.451
698 HD2 AAR 93 HD2 AAR 93 -15.188 8.244 3.265
699 HD3 AAR 93 HD3 AAR 93 -15.929 9.539 4.200
700 HE AAR 93 HE AAR 93 -13.838 10.482 2.491
701 HH11 AAR 93 HH21 AAR 93 -14.401 11.751 0.679
702 HH12 AAR 93 HH22 AAR 93 -16.043 11.773 0.121
703 HH21 AAR 93 HH11 AAR 93 -17.216 9.573 2.586
704 HH22 AAR 93 HH12 AAR 93 -17.648 10.541 1.213
705 HNT1 AAR 93 HNT1 AAR 93 -12.872 11.208 8.838
706 HNT2 AAR 93 HNT2 AAR 93 -13.249 9.681 9.587
Start of MODEL 3
1 H PCA 1 HT1 PCA 1 0.376 -0.219 11.584
2 HA PCA 1 HA PCA 1 0.466 -2.155 9.663
3 HB2 PCA 1 HB2 PCA 1 0.266 0.308 8.148
4 HB3 PCA 1 HB3 PCA 1 -0.578 -1.223 7.892
5 HG2 PCA 1 HG2 PCA 1 -1.629 1.174 9.069
6 HG3 PCA 1 HG3 PCA 1 -2.447 -0.404 8.901
7 HT2 PCA 1 HT2 PCA 1 -0.354 -1.631 11.538
8 H ALA 2 HN ALA 2 2.161 -1.125 7.930
9 HA ALA 2 HA ALA 2 4.277 -0.415 7.560
10 HB1 ALA 2 HB1 ALA 2 3.477 1.793 8.235
11 HB2 ALA 2 HB2 ALA 2 5.145 1.531 8.745
12 HB3 ALA 2 HB3 ALA 2 3.834 1.414 9.919
13 H GLN 3 HN GLN 3 6.493 -0.223 8.692
14 HA GLN 3 HA GLN 3 8.158 -1.504 9.526
15 HB2 GLN 3 HB2 GLN 3 6.804 -0.314 11.577
16 HB3 GLN 3 HB3 GLN 3 6.772 -1.999 12.057
17 HG2 GLN 3 HG2 GLN 3 9.230 -0.374 11.451
18 HG3 GLN 3 HG1 GLN 3 8.662 -0.842 13.051
19 HE21 GLN 3 HE21 GLN 3 10.207 -1.896 10.136
20 HE22 GLN 3 HE22 GLN 3 10.748 -3.426 10.729
21 H ALA 4 HN ALA 4 6.244 -2.843 8.098
22 HA ALA 4 HA ALA 4 6.924 -5.508 8.334
23 HB1 ALA 4 HB1 ALA 4 5.625 -5.504 10.430
24 HB2 ALA 4 HB2 ALA 4 4.904 -6.559 9.215
25 HB3 ALA 4 HB3 ALA 4 4.201 -4.974 9.536
26 H LEU 5 HN LEU 5 7.029 -4.623 6.093
27 HA LEU 5 HA LEU 5 4.398 -4.479 4.790
28 HB2 LEU 5 HB2 LEU 5 7.058 -3.529 3.718
29 HB3 LEU 5 HB3 LEU 5 5.493 -3.280 2.981
30 HG LEU 5 HG LEU 5 6.026 -1.215 3.885
31 HD11 LEU 5 HD11 LEU 5 4.382 -2.528 6.035
32 HD12 LEU 5 HD12 LEU 5 3.766 -1.945 4.489
33 HD13 LEU 5 HD13 LEU 5 4.446 -0.807 5.651
34 HD21 LEU 5 HD21 LEU 5 7.966 -1.865 5.165
35 HD22 LEU 5 HD22 LEU 5 6.943 -2.626 6.379
36 HD23 LEU 5 HD23 LEU 5 6.891 -0.878 6.157
37 H LEU 6 HN LEU 6 5.022 -4.955 2.232
38 HA LEU 6 HA LEU 6 5.557 -7.692 1.927
39 HB2 LEU 6 HB2 LEU 6 5.346 -5.324 0.106
40 HB3 LEU 6 HB3 LEU 6 5.945 -6.842 -0.539
41 HG LEU 6 HG LEU 6 3.595 -6.611 -1.037
42 HD11 LEU 6 HD11 LEU 6 2.731 -8.667 -0.095
43 HD12 LEU 6 HD12 LEU 6 3.981 -8.649 1.146
44 HD13 LEU 6 HD13 LEU 6 4.427 -8.856 -0.548
45 HD21 LEU 6 HD21 LEU 6 2.965 -5.077 0.746
46 HD22 LEU 6 HD22 LEU 6 3.157 -6.364 1.937
47 HD23 LEU 6 HD23 LEU 6 1.894 -6.478 0.710
48 HA PRO 7 HA PRO 7 9.986 -7.886 1.716
49 HB2 PRO 7 HB2 PRO 7 9.991 -9.251 -0.874
50 HB3 PRO 7 HB3 PRO 7 10.439 -9.877 0.711
51 HG2 PRO 7 HG2 PRO 7 8.210 -10.674 -0.589
52 HG3 PRO 7 HG3 PRO 7 8.314 -10.593 1.173
53 HD2 PRO 7 HD2 PRO 7 7.023 -8.696 -0.733
54 HD3 PRO 7 HD3 PRO 7 6.470 -9.234 0.867
55 H ILE 8 HN ILE 8 11.849 -7.038 0.672
56 HA ILE 8 HA ILE 8 11.484 -4.719 -0.835
57 HB ILE 8 HB ILE 8 14.040 -5.259 -1.458
58 HG12 ILE 8 HG12 ILE 8 15.107 -6.404 0.446
59 HG13 ILE 8 HG11 ILE 8 13.523 -6.796 1.097
60 HG21 ILE 8 HG21 ILE 8 12.957 -4.240 1.162
61 HG22 ILE 8 HG22 ILE 8 13.316 -3.307 -0.294
62 HG23 ILE 8 HG23 ILE 8 14.630 -4.043 0.625
63 HD11 ILE 8 HD11 ILE 8 13.061 -8.169 -0.872
64 HD12 ILE 8 HD12 ILE 8 14.509 -8.707 -0.021
65 HD13 ILE 8 HD13 ILE 8 14.657 -7.777 -1.511
66 H ALA 9 HN ALA 9 11.482 -7.968 -1.880
67 HA ALA 9 HA ALA 9 12.265 -7.467 -4.585
68 HB1 ALA 9 HB1 ALA 9 11.459 -9.722 -5.032
69 HB2 ALA 9 HB2 ALA 9 10.760 -9.798 -3.416
70 HB3 ALA 9 HB3 ALA 9 12.508 -9.683 -3.616
71 H SER 10 HN SER 10 9.256 -7.379 -2.777
72 HA SER 10 HA SER 10 7.483 -7.420 -4.970
73 HB2 SER 10 HB2 SER 10 5.848 -6.345 -3.491
74 HB3 SER 10 HB3 SER 10 6.698 -7.628 -2.630
75 HG SER 10 HG SER 10 7.913 -6.085 -1.584
76 H TYR 11 HN TYR 11 9.519 -4.913 -3.667
77 HA TYR 11 HA TYR 11 8.233 -2.938 -5.422
78 HB2 TYR 11 HB2 TYR 11 10.268 -2.104 -3.447
79 HB3 TYR 11 HB3 TYR 11 8.820 -1.269 -3.977
80 HD1 TYR 11 HD1 TYR 11 6.566 -2.130 -3.092
81 HD2 TYR 11 HD2 TYR 11 10.315 -3.258 -1.438
82 HE1 TYR 11 HE1 TYR 11 5.442 -2.826 -1.029
83 HE2 TYR 11 HE2 TYR 11 9.190 -3.943 0.648
84 HH TYR 11 HH TYR 11 7.248 -3.727 1.806
85 H ALA 12 HN ALA 12 10.489 -5.087 -5.831
86 HA ALA 12 HA ALA 12 12.899 -3.773 -6.306
87 HB1 ALA 12 HB1 ALA 12 12.624 -6.219 -6.228
88 HB2 ALA 12 HB2 ALA 12 13.509 -5.684 -7.655
89 HB3 ALA 12 HB3 ALA 12 11.817 -6.162 -7.795
90 H GLY 13 HN GLY 13 13.139 -2.036 -7.512
91 HA2 GLY 13 HA2 GLY 13 13.297 -0.777 -9.454
92 HA3 GLY 13 HA1 GLY 13 12.530 -2.094 -10.331
93 H LEU 14 HN LEU 14 11.227 -0.472 -7.491
94 HA LEU 14 HA LEU 14 9.140 0.738 -9.167
95 HB2 LEU 14 HB2 LEU 14 8.677 -0.953 -6.713
96 HB3 LEU 14 HB3 LEU 14 7.435 -0.054 -7.566
97 HG LEU 14 HG LEU 14 9.072 -2.268 -8.787
98 HD11 LEU 14 HD11 LEU 14 6.932 -3.548 -8.648
99 HD12 LEU 14 HD12 LEU 14 6.317 -2.285 -7.580
100 HD13 LEU 14 HD13 LEU 14 7.717 -3.245 -7.100
101 HD21 LEU 14 HD21 LEU 14 7.372 -2.185 -10.549
102 HD22 LEU 14 HD22 LEU 14 8.256 -0.667 -10.406
103 HD23 LEU 14 HD23 LEU 14 6.623 -0.801 -9.752
104 H THR 15 HN THR 15 7.745 2.233 -7.897
105 HA THR 15 HA THR 15 9.378 3.725 -5.952
106 HB THR 15 HB THR 15 7.019 4.906 -7.384
107 HG1 THR 15 HG1 THR 15 8.304 5.377 -9.152
108 HG21 THR 15 HG21 THR 15 9.668 6.094 -6.555
109 HG22 THR 15 HG22 THR 15 8.205 6.138 -5.572
110 HG23 THR 15 HG23 THR 15 8.247 6.964 -7.129
111 H VAL 16 HN VAL 16 8.706 3.551 -3.904
112 HA VAL 16 HA VAL 16 5.939 2.665 -3.429
113 HB VAL 16 HB VAL 16 6.680 1.788 -1.306
114 HG11 VAL 16 HG11 VAL 16 8.163 0.010 -2.135
115 HG12 VAL 16 HG12 VAL 16 8.437 0.949 -3.603
116 HG13 VAL 16 HG13 VAL 16 6.824 0.341 -3.234
117 HG21 VAL 16 HG21 VAL 16 9.061 1.768 -0.704
118 HG22 VAL 16 HG22 VAL 16 8.391 3.397 -0.762
119 HG23 VAL 16 HG23 VAL 16 9.401 2.814 -2.083
120 H SER 17 HN SER 17 4.817 3.470 -1.635
121 HA SER 17 HA SER 17 4.855 6.272 -1.483
122 HB2 SER 17 HB2 SER 17 3.299 5.077 0.630
123 HB3 SER 17 HB3 SER 17 2.745 5.871 -0.855
124 HG SER 17 HG SER 17 2.111 3.626 -0.658
125 H ALA 18 HN ALA 18 5.338 7.643 0.316
126 HA ALA 18 HA ALA 18 7.738 7.207 1.548
127 HB1 ALA 18 HB1 ALA 18 6.641 9.393 1.404
128 HB2 ALA 18 HB2 ALA 18 7.235 9.049 3.028
129 HB3 ALA 18 HB3 ALA 18 5.517 8.906 2.672
130 HA PRO 19 HA PRO 19 5.331 5.657 5.627
131 HB2 PRO 19 HB2 PRO 19 3.227 4.180 4.119
132 HB3 PRO 19 HB3 PRO 19 3.139 4.960 5.704
133 HG2 PRO 19 HG2 PRO 19 2.047 6.123 3.595
134 HG3 PRO 19 HG3 PRO 19 2.934 7.085 4.785
135 HD2 PRO 19 HD2 PRO 19 3.776 6.198 2.073
136 HD3 PRO 19 HD3 PRO 19 4.082 7.730 2.908
137 H VAL 20 HN VAL 20 5.214 3.769 2.602
138 HA VAL 20 HA VAL 20 6.070 1.379 3.977
139 HB VAL 20 HB VAL 20 4.795 0.556 2.313
140 HG11 VAL 20 HG11 VAL 20 4.282 1.660 0.215
141 HG12 VAL 20 HG12 VAL 20 5.466 2.914 0.585
142 HG13 VAL 20 HG13 VAL 20 4.031 2.728 1.594
143 HG21 VAL 20 HG21 VAL 20 5.986 -0.037 0.218
144 HG22 VAL 20 HG22 VAL 20 6.948 -0.356 1.667
145 HG23 VAL 20 HG23 VAL 20 7.281 1.070 0.683
146 H PHE 21 HN PHE 21 7.432 3.834 1.891
147 HA PHE 21 HA PHE 21 9.945 2.697 1.398
148 HB2 PHE 21 HB2 PHE 21 8.967 4.771 0.335
149 HB3 PHE 21 HB3 PHE 21 9.370 5.630 1.810
150 HD1 PHE 21 HD1 PHE 21 11.610 6.233 2.320
151 HD2 PHE 21 HD2 PHE 21 10.720 3.923 -1.127
152 HE1 PHE 21 HE1 PHE 21 13.894 6.618 1.481
153 HE2 PHE 21 HE2 PHE 21 12.994 4.293 -1.975
154 HZ PHE 21 HZ PHE 21 14.585 5.645 -0.677
155 H ALA 22 HN ALA 22 8.987 5.052 3.886
156 HA ALA 22 HA ALA 22 11.500 5.120 5.162
157 HB1 ALA 22 HB1 ALA 22 8.811 5.819 6.326
158 HB2 ALA 22 HB2 ALA 22 9.792 6.891 5.328
159 HB3 ALA 22 HB3 ALA 22 10.387 6.363 6.903
160 H ALA 23 HN ALA 23 8.640 3.141 5.624
161 HA ALA 23 HA ALA 23 9.522 1.932 8.055
162 HB1 ALA 23 HB1 ALA 23 7.749 0.285 7.592
163 HB2 ALA 23 HB2 ALA 23 7.489 1.038 6.014
164 HB3 ALA 23 HB3 ALA 23 7.175 1.948 7.491
165 H LEU 24 HN LEU 24 9.731 1.167 4.633
166 HA LEU 24 HA LEU 24 11.032 -1.301 4.772
167 HB2 LEU 24 HB2 LEU 24 10.566 0.800 2.834
168 HB3 LEU 24 HB3 LEU 24 12.138 0.064 2.628
169 HG LEU 24 HG LEU 24 11.246 -1.995 2.028
170 HD11 LEU 24 HD11 LEU 24 8.889 -2.623 2.378
171 HD12 LEU 24 HD12 LEU 24 8.642 -1.120 3.269
172 HD13 LEU 24 HD13 LEU 24 9.750 -2.344 3.891
173 HD21 LEU 24 HD21 LEU 24 9.554 -1.483 0.339
174 HD22 LEU 24 HD22 LEU 24 10.845 -0.283 0.357
175 HD23 LEU 24 HD23 LEU 24 9.290 0.088 1.097
176 H VAL 25 HN VAL 25 12.411 1.980 4.517
177 HA VAL 25 HA VAL 25 15.101 1.252 4.792
178 HB VAL 25 HB VAL 25 13.767 3.798 5.741
179 HG11 VAL 25 HG11 VAL 25 15.946 3.487 6.782
180 HG12 VAL 25 HG12 VAL 25 16.002 4.793 5.595
181 HG13 VAL 25 HG13 VAL 25 16.674 3.208 5.198
182 HG21 VAL 25 HG21 VAL 25 13.427 3.401 3.367
183 HG22 VAL 25 HG22 VAL 25 15.159 3.140 3.148
184 HG23 VAL 25 HG23 VAL 25 14.558 4.731 3.614
185 H THR 26 HN THR 26 12.567 1.530 7.114
186 HA THR 26 HA THR 26 14.146 1.593 9.458
187 HB THR 26 HB THR 26 11.293 0.691 9.002
188 HG1 THR 26 HG1 THR 26 11.753 2.950 8.724
189 HG21 THR 26 HG21 THR 26 11.009 0.814 11.438
190 HG22 THR 26 HG22 THR 26 12.736 1.113 11.625
191 HG23 THR 26 HG23 THR 26 12.174 -0.432 10.985
192 H VAL 27 HN VAL 27 12.911 -1.049 7.463
193 HA VAL 27 HA VAL 27 14.092 -2.977 9.337
194 HB VAL 27 HB VAL 27 11.985 -3.807 9.097
195 HG11 VAL 27 HG11 VAL 27 11.162 -2.009 7.676
196 HG12 VAL 27 HG12 VAL 27 10.567 -3.574 7.122
197 HG13 VAL 27 HG13 VAL 27 11.889 -2.779 6.266
198 HG21 VAL 27 HG21 VAL 27 13.468 -5.532 8.192
199 HG22 VAL 27 HG22 VAL 27 13.213 -4.882 6.569
200 HG23 VAL 27 HG23 VAL 27 11.865 -5.593 7.454
201 H TYR 28 HN TYR 28 13.779 -2.452 5.830
202 HA TYR 28 HA TYR 28 15.910 -4.296 5.245
203 HB2 TYR 28 HB2 TYR 28 14.384 -2.420 3.436
204 HB3 TYR 28 HB3 TYR 28 15.423 -3.740 2.909
205 HD1 TYR 28 HD1 TYR 28 12.149 -2.797 4.026
206 HD2 TYR 28 HD2 TYR 28 14.755 -6.107 3.478
207 HE1 TYR 28 HE1 TYR 28 10.226 -4.311 4.150
208 HE2 TYR 28 HE2 TYR 28 12.838 -7.640 3.591
209 HH TYR 28 HH TYR 28 10.621 -7.768 4.322
210 H GLY 29 HN GLY 29 15.463 -0.871 5.567
211 HA2 GLY 29 HA2 GLY 29 17.143 0.695 5.962
212 HA3 GLY 29 HA1 GLY 29 18.335 -0.484 5.434
213 H ALA 30 HN ALA 30 18.391 2.179 4.626
214 HA ALA 30 HA ALA 30 17.208 2.584 2.091
215 HB1 ALA 30 HB1 ALA 30 19.726 3.816 3.211
216 HB2 ALA 30 HB2 ALA 30 18.087 4.417 3.465
217 HB3 ALA 30 HB3 ALA 30 18.786 4.422 1.846
218 H TYR 31 HN TYR 31 20.036 0.913 3.173
219 HA TYR 31 HA TYR 31 21.457 0.690 0.765
220 HB2 TYR 31 HB2 TYR 31 22.041 0.048 3.249
221 HB3 TYR 31 HB3 TYR 31 21.403 -1.522 2.779
222 HD1 TYR 31 HD1 TYR 31 22.731 -3.033 1.550
223 HD2 TYR 31 HD2 TYR 31 23.945 1.020 1.934
224 HE1 TYR 31 HE1 TYR 31 24.920 -3.605 0.586
225 HE2 TYR 31 HE2 TYR 31 26.137 0.464 0.967
226 HH TYR 31 HH TYR 31 27.587 -1.563 0.764
227 H ALA 32 HN ALA 32 19.115 -1.589 2.263
228 HA ALA 32 HA ALA 32 19.159 -3.382 0.089
229 HB1 ALA 32 HB1 ALA 32 17.071 -2.989 2.219
230 HB2 ALA 32 HB2 ALA 32 18.433 -4.108 2.272
231 HB3 ALA 32 HB3 ALA 32 17.138 -4.351 1.101
232 H LEU 33 HN LEU 33 17.010 -0.662 0.911
233 HA LEU 33 HA LEU 33 15.227 -1.049 -1.225
234 HB2 LEU 33 HB2 LEU 33 15.821 1.063 0.711
235 HB3 LEU 33 HB3 LEU 33 15.225 1.673 -0.826
236 HG LEU 33 HG LEU 33 13.227 0.304 -0.624
237 HD11 LEU 33 HD11 LEU 33 12.791 -1.084 1.246
238 HD12 LEU 33 HD12 LEU 33 14.251 -0.544 2.074
239 HD13 LEU 33 HD13 LEU 33 14.376 -1.544 0.628
240 HD21 LEU 33 HD21 LEU 33 12.207 1.441 1.247
241 HD22 LEU 33 HD22 LEU 33 13.281 2.542 0.381
242 HD23 LEU 33 HD23 LEU 33 13.797 1.822 1.908
243 H TYR 34 HN TYR 34 18.298 0.601 -1.013
244 HA TYR 34 HA TYR 34 18.228 1.752 -3.614
245 HB2 TYR 34 HB2 TYR 34 19.732 2.742 -2.095
246 HB3 TYR 34 HB3 TYR 34 20.378 1.191 -1.584
247 HD1 TYR 34 HD1 TYR 34 20.448 3.763 -4.208
248 HD2 TYR 34 HD2 TYR 34 22.134 0.118 -2.790
249 HE1 TYR 34 HE1 TYR 34 22.336 4.044 -5.759
250 HE2 TYR 34 HE2 TYR 34 24.031 0.392 -4.343
251 HH TYR 34 HH TYR 34 24.511 1.570 -6.481
252 H ARG 35 HN ARG 35 19.108 -1.311 -2.262
253 HA ARG 35 HA ARG 35 20.647 -2.275 -4.433
254 HB2 ARG 35 HB2 ARG 35 19.394 -3.408 -2.005
255 HB3 ARG 35 HB3 ARG 35 19.827 -4.539 -3.284
256 HG2 ARG 35 HG2 ARG 35 22.133 -3.556 -3.197
257 HG3 ARG 35 HG3 ARG 35 21.622 -2.692 -1.746
258 HD2 ARG 35 HD2 ARG 35 21.121 -4.760 -0.632
259 HD3 ARG 35 HD3 ARG 35 21.460 -5.677 -2.098
260 HE ARG 35 HE ARG 35 23.659 -4.079 -1.096
261 HH11 ARG 35 HH11 ARG 35 22.096 -7.210 -1.163
262 HH12 ARG 35 HH12 ARG 35 23.521 -8.077 -0.687
263 HH21 ARG 35 HH21 ARG 35 25.544 -5.223 -0.476
264 HH22 ARG 35 HH22 ARG 35 25.482 -6.947 -0.299
265 H TYR 36 HN TYR 36 17.254 -2.478 -3.560
266 HA TYR 36 HA TYR 36 16.713 -4.098 -5.927
267 HB2 TYR 36 HB2 TYR 36 15.011 -3.310 -3.567
268 HB3 TYR 36 HB3 TYR 36 14.394 -4.213 -4.948
269 HD1 TYR 36 HD1 TYR 36 16.879 -4.283 -2.224
270 HD2 TYR 36 HD2 TYR 36 14.754 -6.534 -5.130
271 HE1 TYR 36 HE1 TYR 36 17.735 -6.346 -1.220
272 HE2 TYR 36 HE2 TYR 36 15.590 -8.625 -4.125
273 HH TYR 36 HH TYR 36 17.101 -8.721 -1.084
274 H ASN 37 HN ASN 37 17.289 -1.072 -5.644
275 HA ASN 37 HA ASN 37 16.713 0.863 -6.677
276 HB2 ASN 37 HB2 ASN 37 16.884 -0.901 -8.608
277 HB3 ASN 37 HB3 ASN 37 15.142 -0.693 -8.701
278 HD21 ASN 37 HD21 ASN 37 14.311 1.358 -9.238
279 HD22 ASN 37 HD22 ASN 37 15.277 2.512 -10.093
280 H ILE 38 HN ILE 38 15.129 0.283 -4.564
281 HA ILE 38 HA ILE 38 12.368 0.758 -5.340
282 HB ILE 38 HB ILE 38 13.614 0.470 -2.603
283 HG12 ILE 38 HG12 ILE 38 12.015 -1.509 -4.238
284 HG13 ILE 38 HG11 ILE 38 13.757 -1.564 -4.020
285 HG21 ILE 38 HG21 ILE 38 10.726 0.510 -3.461
286 HG22 ILE 38 HG22 ILE 38 11.561 1.750 -2.522
287 HG23 ILE 38 HG23 ILE 38 11.305 0.147 -1.834
288 HD11 ILE 38 HD11 ILE 38 13.459 -1.896 -1.636
289 HD12 ILE 38 HD12 ILE 38 12.636 -3.144 -2.572
290 HD13 ILE 38 HD13 ILE 38 11.709 -1.831 -1.841
291 H ARG 39 HN ARG 39 11.595 2.711 -5.562
292 HA ARG 39 HA ARG 39 13.147 4.996 -4.539
293 HB2 ARG 39 HB2 ARG 39 11.061 4.881 -6.726
294 HB3 ARG 39 HB3 ARG 39 11.886 6.338 -6.206
295 HG2 ARG 39 HG2 ARG 39 13.116 5.837 -8.026
296 HG3 ARG 39 HG3 ARG 39 14.020 4.909 -6.827
297 HD2 ARG 39 HD2 ARG 39 13.606 3.596 -8.847
298 HD3 ARG 39 HD3 ARG 39 12.793 2.897 -7.449
299 HE ARG 39 HE ARG 39 10.723 3.949 -8.307
300 HH11 ARG 39 HH11 ARG 39 13.377 3.487 -10.550
301 HH12 ARG 39 HH12 ARG 39 12.341 3.336 -11.932
302 HH21 ARG 39 HH21 ARG 39 9.372 3.760 -10.120
303 HH22 ARG 39 HH22 ARG 39 10.067 3.489 -11.689
304 H ARG 40 HN ARG 40 11.701 6.971 -4.085
305 HA ARG 40 HA ARG 40 9.401 6.078 -2.476
306 HB2 ARG 40 HB2 ARG 40 11.362 6.998 -1.210
307 HB3 ARG 40 HB3 ARG 40 11.089 8.535 -2.017
308 HG2 ARG 40 HG2 ARG 40 8.866 8.671 -1.016
309 HG3 ARG 40 HG3 ARG 40 9.141 7.128 -0.203
310 HD2 ARG 40 HD2 ARG 40 9.593 8.841 1.382
311 HD3 ARG 40 HD3 ARG 40 11.144 8.171 0.886
312 HE ARG 40 HE ARG 40 10.147 10.597 -0.417
313 HH11 ARG 40 HH11 ARG 40 12.456 9.061 1.717
314 HH12 ARG 40 HH12 ARG 40 13.574 10.385 1.668
315 HH21 ARG 40 HH21 ARG 40 11.611 12.344 -0.483
316 HH22 ARG 40 HH22 ARG 40 13.095 12.255 0.414
317 H ARG 41 HN ARG 41 7.492 7.024 -2.762
318 HA ARG 41 HA ARG 41 7.349 9.468 -4.389
319 HB2 ARG 41 HB2 ARG 41 5.233 8.566 -5.408
320 HB3 ARG 41 HB3 ARG 41 6.717 7.802 -5.950
321 HG2 ARG 41 HG2 ARG 41 6.254 5.827 -4.866
322 HG3 ARG 41 HG3 ARG 41 5.183 6.599 -3.697
323 HD2 ARG 41 HD2 ARG 41 4.109 5.140 -5.490
324 HD3 ARG 41 HD3 ARG 41 3.421 6.738 -5.224
325 HE ARG 41 HE ARG 41 4.499 7.471 -7.256
326 HH11 ARG 41 HH11 ARG 41 4.603 4.002 -6.746
327 HH12 ARG 41 HH12 ARG 41 4.684 3.630 -8.436
328 HH21 ARG 41 HH21 ARG 41 4.596 6.965 -9.487
329 HH22 ARG 41 HH22 ARG 41 4.664 5.305 -9.988
330 H GLU 42 HN GLU 42 4.882 10.128 -4.404
331 HA GLU 42 HA GLU 42 4.276 11.037 -1.811
332 HB2 GLU 42 HB2 GLU 42 2.568 10.901 -4.296
333 HB3 GLU 42 HB3 GLU 42 2.187 11.849 -2.863
334 HG2 GLU 42 HG2 GLU 42 4.163 13.207 -3.216
335 HG3 GLU 42 HG3 GLU 42 4.613 12.223 -4.607
336 H ASN 43 HN ASN 43 2.060 10.703 -0.817
337 HA ASN 43 HA ASN 43 1.000 8.036 -1.241
338 HB2 ASN 43 HB2 ASN 43 1.188 7.346 1.037
339 HB3 ASN 43 HB3 ASN 43 2.778 7.901 0.530
340 HD21 ASN 43 HD21 ASN 43 3.462 10.012 1.221
341 HD22 ASN 43 HD22 ASN 43 2.841 10.667 2.691
342 H SER 44 HN SER 44 0.037 10.610 -1.833
343 HA SER 44 HA SER 44 -1.911 11.419 0.084
344 HB2 SER 44 HB2 SER 44 -1.766 12.021 -2.879
345 HB3 SER 44 HB3 SER 44 -2.722 12.897 -1.685
346 HG SER 44 HG SER 44 -0.672 13.350 -0.617
347 H TYR 45 HN TYR 45 -1.816 9.169 -2.535
348 HA TYR 45 HA TYR 45 -4.664 8.546 -2.155
349 HB2 TYR 45 HB2 TYR 45 -4.651 7.622 -4.413
350 HB3 TYR 45 HB3 TYR 45 -4.063 9.281 -4.448
351 HD1 TYR 45 HD1 TYR 45 -1.541 9.656 -4.572
352 HD2 TYR 45 HD2 TYR 45 -3.354 5.862 -5.267
353 HE1 TYR 45 HE1 TYR 45 0.489 8.904 -5.726
354 HE2 TYR 45 HE2 TYR 45 -1.323 5.109 -6.425
355 HH TYR 45 HH TYR 45 0.598 6.083 -7.607
356 H GLN 46 HN GLN 46 -4.779 6.054 -3.221
357 HA GLN 46 HA GLN 46 -3.481 4.472 -1.191
358 HB2 GLN 46 HB2 GLN 46 -4.847 2.651 -1.919
359 HB3 GLN 46 HB3 GLN 46 -5.860 4.084 -1.928
360 HG2 GLN 46 HG2 GLN 46 -4.548 2.912 -4.370
361 HG3 GLN 46 HG1 GLN 46 -6.196 2.565 -3.864
362 HE21 GLN 46 HE21 GLN 46 -6.715 5.276 -2.988
363 HE22 GLN 46 HE22 GLN 46 -6.900 6.224 -4.429
364 H ARG 47 HN ARG 47 -1.452 3.834 -1.452
365 HA ARG 47 HA ARG 47 -0.603 2.952 -4.129
366 HB2 ARG 47 HB2 ARG 47 0.351 5.212 -3.086
367 HB3 ARG 47 HB3 ARG 47 1.413 4.091 -2.251
368 HG2 ARG 47 HG2 ARG 47 1.112 4.415 -5.222
369 HG3 ARG 47 HG3 ARG 47 2.487 4.907 -4.243
370 HD2 ARG 47 HD2 ARG 47 1.561 2.104 -4.850
371 HD3 ARG 47 HD3 ARG 47 3.043 2.882 -5.396
372 HE ARG 47 HE ARG 47 2.854 2.747 -2.541
373 HH11 ARG 47 HH11 ARG 47 3.782 1.015 -5.434
374 HH12 ARG 47 HH12 ARG 47 4.773 -0.132 -4.593
375 HH21 ARG 47 HH21 ARG 47 4.127 1.212 -1.412
376 HH22 ARG 47 HH22 ARG 47 4.969 -0.021 -2.289
377 H ILE 48 HN ILE 48 -0.900 0.812 -3.700
378 HA ILE 48 HA ILE 48 0.730 -0.309 -1.520
379 HB ILE 48 HB ILE 48 -1.812 -1.588 -2.517
380 HG12 ILE 48 HG12 ILE 48 -2.426 0.637 -1.688
381 HG13 ILE 48 HG11 ILE 48 -3.004 -0.615 -0.599
382 HG21 ILE 48 HG21 ILE 48 -0.278 -1.874 0.064
383 HG22 ILE 48 HG22 ILE 48 -0.258 -3.007 -1.287
384 HG23 ILE 48 HG23 ILE 48 -1.744 -2.753 -0.374
385 HD11 ILE 48 HD11 ILE 48 -0.639 1.199 -0.196
386 HD12 ILE 48 HD12 ILE 48 -1.047 -0.147 0.865
387 HD13 ILE 48 HD13 ILE 48 -2.163 1.211 0.693
388 H ARG 49 HN ARG 49 1.459 -2.561 -1.945
389 HA ARG 49 HA ARG 49 1.851 -2.966 -4.824
390 HB2 ARG 49 HB2 ARG 49 3.916 -2.472 -3.562
391 HB3 ARG 49 HB3 ARG 49 3.616 -3.867 -2.539
392 HG2 ARG 49 HG2 ARG 49 5.333 -4.215 -4.312
393 HG3 ARG 49 HG3 ARG 49 4.004 -5.374 -4.338
394 HD2 ARG 49 HD2 ARG 49 2.957 -4.167 -6.165
395 HD3 ARG 49 HD3 ARG 49 4.225 -2.942 -6.111
396 HE ARG 49 HE ARG 49 5.706 -5.061 -6.556
397 HH11 ARG 49 HH11 ARG 49 2.599 -4.280 -7.988
398 HH12 ARG 49 HH12 ARG 49 2.946 -5.083 -9.486
399 HH21 ARG 49 HH21 ARG 49 6.152 -6.133 -8.521
400 HH22 ARG 49 HH22 ARG 49 4.958 -6.152 -9.780
401 H SER 50 HN SER 50 -0.455 -3.803 -3.592
402 HA SER 50 HA SER 50 -1.900 -5.516 -3.591
403 HB2 SER 50 HB2 SER 50 0.166 -7.058 -5.118
404 HB3 SER 50 HB3 SER 50 -1.583 -7.176 -5.215
405 HG SER 50 HG SER 50 -1.393 -5.815 -6.796
406 H ASP 51 HN ASP 51 -2.404 -6.605 -1.851
407 HA ASP 51 HA ASP 51 -0.476 -8.393 -0.590
408 HB2 ASP 51 HB2 ASP 51 -3.280 -7.614 0.257
409 HB3 ASP 51 HB3 ASP 51 -2.187 -8.636 1.183
410 H HIS 52 HN HIS 52 -1.943 -10.470 0.317
411 HA HIS 52 HA HIS 52 -1.867 -12.101 -1.909
412 HB2 HIS 52 HB2 HIS 52 -2.934 -13.842 -0.440
413 HB3 HIS 52 HB3 HIS 52 -1.449 -13.131 0.150
414 HD1 HIS 52 HD1 HIS 52 -4.989 -13.683 1.012
415 HD2 HIS 52 HD2 HIS 52 -1.814 -11.391 2.408
416 HE1 HIS 52 HE1 HIS 52 -5.623 -12.993 3.340
417 HE2 HIS 52 HE2 HIS 52 -3.601 -11.791 4.233
418 H ASP 53 HN ASP 53 -4.772 -10.612 -0.458
419 HA ASP 53 HA ASP 53 -6.250 -11.719 -2.770
420 HB2 ASP 53 HB2 ASP 53 -7.357 -11.019 -0.043
421 HB3 ASP 53 HB3 ASP 53 -8.326 -11.497 -1.428
422 H SER 54 HN SER 54 -4.718 -9.237 -2.610
423 HA SER 54 HA SER 54 -6.622 -7.105 -2.310
424 HB2 SER 54 HB2 SER 54 -3.749 -7.243 -3.077
425 HB3 SER 54 HB3 SER 54 -4.644 -5.740 -3.209
426 HG SER 54 HG SER 54 -5.028 -5.830 -1.002
427 H HIS 55 HN HIS 55 -7.056 -5.533 -3.918
428 HA HIS 55 HA HIS 55 -6.482 -5.865 -6.641
429 HB2 HIS 55 HB2 HIS 55 -8.870 -6.313 -7.421
430 HB3 HIS 55 HB3 HIS 55 -7.952 -7.689 -6.832
431 HD1 HIS 55 HD1 HIS 55 -11.048 -5.776 -6.258
432 HD2 HIS 55 HD2 HIS 55 -8.762 -8.594 -4.239
433 HE1 HIS 55 HE1 HIS 55 -12.570 -6.748 -4.527
434 HE2 HIS 55 HE2 HIS 55 -11.228 -8.589 -3.442
435 H SER 56 HN SER 56 -8.172 -4.471 -7.975
436 HA SER 56 HA SER 56 -8.240 -1.919 -6.647
437 HB2 SER 56 HB2 SER 56 -9.205 -1.219 -8.933
438 HB3 SER 56 HB3 SER 56 -7.546 -1.817 -8.894
439 HG SER 56 HG SER 56 -8.772 -2.770 -10.580
440 H CYS 57 HN CYS 57 -10.041 -0.672 -6.186
441 HA CYS 57 HA CYS 57 -12.703 -1.705 -6.753
442 HB2 CYS 57 HB2 CYS 57 -13.399 -1.363 -4.383
443 HB3 CYS 57 HB3 CYS 57 -12.281 -2.704 -4.592
444 H ALA 58 HN ALA 58 -14.353 -0.020 -5.793
445 HA ALA 58 HA ALA 58 -15.221 2.073 -5.866
446 HB1 ALA 58 HB1 ALA 58 -12.423 2.945 -5.139
447 HB2 ALA 58 HB2 ALA 58 -13.687 2.488 -3.996
448 HB3 ALA 58 HB3 ALA 58 -13.882 3.924 -5.003
449 H ASN 59 HN ASN 59 -14.477 0.944 -8.269
450 HA ASN 59 HA ASN 59 -13.979 1.329 -10.453
451 HB2 ASN 59 HB2 ASN 59 -14.499 4.195 -9.631
452 HB3 ASN 59 HB3 ASN 59 -14.237 3.688 -11.296
453 HD21 ASN 59 HD21 ASN 59 -16.426 3.710 -8.623
454 HD22 ASN 59 HD22 ASN 59 -17.794 3.080 -9.468
455 H ASN 60 HN ASN 60 -11.900 0.961 -8.743
456 HA ASN 60 HA ASN 60 -9.699 1.186 -8.363
457 HB2 ASN 60 HB2 ASN 60 -9.669 0.649 -10.804
458 HB3 ASN 60 HB3 ASN 60 -9.556 2.375 -11.133
459 HD21 ASN 60 HD21 ASN 60 -7.958 0.971 -8.344
460 HD22 ASN 60 HD22 ASN 60 -6.351 1.127 -8.965
461 H ARG 61 HN ARG 61 -11.232 3.195 -7.318
462 HA ARG 61 HA ARG 61 -9.316 5.434 -7.369
463 HB2 ARG 61 HB2 ARG 61 -12.141 5.303 -6.296
464 HB3 ARG 61 HB3 ARG 61 -11.071 6.681 -6.092
465 HG2 ARG 61 HG2 ARG 61 -11.003 6.995 -8.508
466 HG3 ARG 61 HG3 ARG 61 -12.060 5.595 -8.721
467 HD2 ARG 61 HD2 ARG 61 -12.725 8.163 -7.288
468 HD3 ARG 61 HD3 ARG 61 -13.366 7.626 -8.841
469 HE ARG 61 HE ARG 61 -14.152 5.623 -7.324
470 HH11 ARG 61 HH11 ARG 61 -14.260 9.063 -6.666
471 HH12 ARG 61 HH12 ARG 61 -15.613 8.944 -5.585
472 HH21 ARG 61 HH21 ARG 61 -15.944 5.466 -5.908
473 HH22 ARG 61 HH22 ARG 61 -16.561 6.898 -5.152
474 H GLY 62 HN GLY 62 -9.761 2.618 -5.996
475 HA2 GLY 62 HA2 GLY 62 -8.263 3.314 -3.633
476 HA3 GLY 62 HA1 GLY 62 -9.866 2.662 -3.314
477 H TRP 63 HN TRP 63 -7.140 1.591 -2.814
478 HA TRP 63 HA TRP 63 -7.287 -0.892 -4.362
479 HB2 TRP 63 HB2 TRP 63 -5.089 0.251 -4.162
480 HB3 TRP 63 HB3 TRP 63 -5.140 0.010 -2.420
481 HD1 TRP 63 HD1 TRP 63 -4.296 -2.245 -1.507
482 HE1 TRP 63 HE1 TRP 63 -3.410 -4.404 -2.571
483 HE3 TRP 63 HE3 TRP 63 -5.451 -1.247 -6.373
484 HZ2 TRP 63 HZ2 TRP 63 -3.223 -5.536 -5.174
485 HZ3 TRP 63 HZ3 TRP 63 -4.891 -2.904 -8.086
486 HH2 TRP 63 HH2 TRP 63 -3.803 -5.009 -7.501
487 H CYS 64 HN CYS 64 -7.827 -2.826 -3.493
488 HA CYS 64 HA CYS 64 -9.052 -2.903 -0.895
489 HB2 CYS 64 HB2 CYS 64 -8.442 -5.198 -2.767
490 HB3 CYS 64 HB3 CYS 64 -9.557 -5.228 -1.413
491 H ARG 65 HN ARG 65 -7.979 -3.123 0.927
492 HA ARG 65 HA ARG 65 -5.543 -4.794 0.965
493 HB2 ARG 65 HB2 ARG 65 -6.083 -2.167 2.329
494 HB3 ARG 65 HB3 ARG 65 -4.858 -3.278 2.909
495 HG2 ARG 65 HG2 ARG 65 -4.169 -3.082 0.308
496 HG3 ARG 65 HG3 ARG 65 -4.822 -1.467 0.621
497 HD2 ARG 65 HD2 ARG 65 -2.527 -1.348 1.179
498 HD3 ARG 65 HD3 ARG 65 -3.391 -1.445 2.712
499 HE ARG 65 HE ARG 65 -2.218 -3.852 1.470
500 HH11 ARG 65 HH11 ARG 65 -2.544 -1.700 4.221
501 HH12 ARG 65 HH12 ARG 65 -1.568 -2.695 5.256
502 HH21 ARG 65 HH21 ARG 65 -0.959 -5.142 2.822
503 HH22 ARG 65 HH22 ARG 65 -0.661 -4.642 4.463
504 HA PRO 66 HA PRO 66 -7.356 -6.612 4.667
505 HB2 PRO 66 HB2 PRO 66 -4.848 -6.963 5.999
506 HB3 PRO 66 HB3 PRO 66 -5.785 -8.167 5.120
507 HG2 PRO 66 HG2 PRO 66 -3.323 -7.154 4.337
508 HG3 PRO 66 HG3 PRO 66 -4.468 -8.001 3.287
509 HD2 PRO 66 HD2 PRO 66 -3.913 -5.093 3.535
510 HD3 PRO 66 HD3 PRO 66 -4.421 -6.033 2.118
511 H THR 67 HN THR 67 -5.123 -3.959 4.816
512 HA THR 67 HA THR 67 -6.581 -2.767 7.019
513 HB THR 67 HB THR 67 -3.581 -3.061 7.252
514 HG1 THR 67 HG1 THR 67 -5.612 -4.778 7.972
515 HG21 THR 67 HG21 THR 67 -3.925 -2.264 9.531
516 HG22 THR 67 HG22 THR 67 -5.660 -2.161 9.243
517 HG23 THR 67 HG23 THR 67 -4.560 -1.100 8.365
518 H CYS 68 HN CYS 68 -6.224 -0.485 7.129
519 HA CYS 68 HA CYS 68 -5.195 0.556 4.586
520 HB2 CYS 68 HB2 CYS 68 -7.281 1.623 6.489
521 HB3 CYS 68 HB3 CYS 68 -6.708 2.504 5.078
522 H PHE 69 HN PHE 69 -3.842 2.279 4.471
523 HA PHE 69 HA PHE 69 -2.233 2.828 6.835
524 HB2 PHE 69 HB2 PHE 69 -1.977 3.620 3.937
525 HB3 PHE 69 HB3 PHE 69 -0.858 4.184 5.160
526 HD1 PHE 69 HD1 PHE 69 -1.836 1.387 3.055
527 HD2 PHE 69 HD2 PHE 69 0.584 2.589 6.345
528 HE1 PHE 69 HE1 PHE 69 -0.486 -0.644 2.804
529 HE2 PHE 69 HE2 PHE 69 1.939 0.553 6.094
530 HZ PHE 69 HZ PHE 69 1.405 -1.069 4.319
531 H SER 70 HN SER 70 -1.421 5.339 6.681
532 HA SER 70 HA SER 70 -3.862 6.747 7.448
533 HB2 SER 70 HB2 SER 70 -1.931 6.584 9.047
534 HB3 SER 70 HB3 SER 70 -0.995 7.582 7.936
535 HG SER 70 HG SER 70 -3.218 8.264 9.517
536 H HIS 71 HN HIS 71 -4.722 7.473 5.581
537 HA HIS 71 HA HIS 71 -4.324 9.617 4.163
538 HB2 HIS 71 HB2 HIS 71 -2.846 9.186 2.237
539 HB3 HIS 71 HB3 HIS 71 -1.941 9.157 3.740
540 HD1 HIS 71 HD1 HIS 71 -0.059 7.631 3.070
541 HD2 HIS 71 HD2 HIS 71 -3.795 6.032 2.248
542 HE1 HIS 71 HE1 HIS 71 0.367 5.258 2.324
543 HE2 HIS 71 HE2 HIS 71 -1.917 4.348 1.721
544 H GLU 72 HN GLU 72 -5.133 6.458 4.490
545 HA GLU 72 HA GLU 72 -7.224 6.714 2.473
546 HB2 GLU 72 HB2 GLU 72 -6.953 4.317 1.891
547 HB3 GLU 72 HB3 GLU 72 -5.543 5.287 1.443
548 HG2 GLU 72 HG2 GLU 72 -4.606 4.567 3.730
549 HG3 GLU 72 HG3 GLU 72 -5.840 3.318 3.666
550 H TYR 73 HN TYR 73 -8.965 5.008 2.958
551 HA TYR 73 HA TYR 73 -9.060 4.246 5.767
552 HB2 TYR 73 HB2 TYR 73 -11.293 5.291 6.057
553 HB3 TYR 73 HB3 TYR 73 -10.013 6.472 5.827
554 HD1 TYR 73 HD1 TYR 73 -10.194 8.098 4.183
555 HD2 TYR 73 HD2 TYR 73 -12.705 4.667 3.992
556 HE1 TYR 73 HE1 TYR 73 -11.452 9.120 2.333
557 HE2 TYR 73 HE2 TYR 73 -13.967 5.677 2.144
558 HH TYR 73 HH TYR 73 -12.899 8.475 0.500
559 H THR 74 HN THR 74 -11.165 3.112 6.218
560 HA THR 74 HA THR 74 -11.548 1.059 4.263
561 HB THR 74 HB THR 74 -12.935 1.540 6.908
562 HG1 THR 74 HG1 THR 74 -10.669 1.138 7.084
563 HG21 THR 74 HG21 THR 74 -14.331 0.116 5.636
564 HG22 THR 74 HG22 THR 74 -13.411 -0.943 6.710
565 HG23 THR 74 HG23 THR 74 -12.961 -0.793 5.014
566 H ASP 75 HN ASP 75 -12.558 1.996 2.484
567 HA ASP 75 HA ASP 75 -15.133 3.252 2.735
568 HB2 ASP 75 HB2 ASP 75 -13.640 3.575 0.735
569 HB3 ASP 75 HB3 ASP 75 -13.919 1.896 0.306
570 H TRP 76 HN TRP 76 -16.847 2.185 3.408
571 HA TRP 76 HA TRP 76 -16.787 -0.671 3.627
572 HB2 TRP 76 HB2 TRP 76 -18.741 1.427 4.535
573 HB3 TRP 76 HB3 TRP 76 -19.026 -0.296 4.761
574 HD1 TRP 76 HD1 TRP 76 -17.051 2.599 6.183
575 HE1 TRP 76 HE1 TRP 76 -15.742 1.808 8.255
576 HE3 TRP 76 HE3 TRP 76 -17.808 -2.428 5.729
577 HZ2 TRP 76 HZ2 TRP 76 -15.103 -0.635 9.510
578 HZ3 TRP 76 HZ3 TRP 76 -16.802 -3.926 7.395
579 HH2 TRP 76 HH2 TRP 76 -15.472 -3.048 9.244
580 H PHE 77 HN PHE 77 -18.225 1.630 1.494
581 HA PHE 77 HA PHE 77 -20.260 -0.012 0.396
582 HB2 PHE 77 HB2 PHE 77 -20.115 2.435 0.030
583 HB3 PHE 77 HB3 PHE 77 -18.649 2.199 -0.912
584 HD1 PHE 77 HD1 PHE 77 -22.225 1.207 -0.808
585 HD2 PHE 77 HD2 PHE 77 -18.797 1.962 -3.208
586 HE1 PHE 77 HE1 PHE 77 -23.600 0.969 -2.836
587 HE2 PHE 77 HE2 PHE 77 -20.162 1.724 -5.241
588 HZ PHE 77 HZ PHE 77 -22.567 1.229 -5.058
589 H ASN 78 HN ASN 78 -16.988 0.761 -0.756
590 HA ASN 78 HA ASN 78 -17.059 -1.445 -2.619
591 HB2 ASN 78 HB2 ASN 78 -14.837 0.456 -1.868
592 HB3 ASN 78 HB3 ASN 78 -14.742 -0.747 -3.147
593 HD21 ASN 78 HD21 ASN 78 -16.002 2.313 -2.181
594 HD22 ASN 78 HD22 ASN 78 -16.615 2.766 -3.739
595 H ASN 79 HN ASN 79 -16.765 -1.398 0.585
596 HA ASN 79 HA ASN 79 -14.619 -3.247 0.955
597 HB2 ASN 79 HB2 ASN 79 -15.561 -1.746 2.732
598 HB3 ASN 79 HB3 ASN 79 -17.002 -2.751 2.751
599 HD21 ASN 79 HD21 ASN 79 -15.009 -2.111 4.796
600 HD22 ASN 79 HD22 ASN 79 -14.442 -3.629 5.380
601 H ASP 80 HN ASP 80 -18.120 -3.462 0.461
602 HA ASP 80 HA ASP 80 -18.108 -6.308 0.773
603 HB2 ASP 80 HB2 ASP 80 -20.425 -6.310 0.132
604 HB3 ASP 80 HB3 ASP 80 -20.145 -5.000 1.264
605 H VAL 81 HN VAL 81 -17.599 -4.123 -1.921
606 HA VAL 81 HA VAL 81 -17.940 -6.124 -3.923
607 HB VAL 81 HB VAL 81 -16.954 -4.685 -5.479
608 HG11 VAL 81 HG11 VAL 81 -18.246 -2.993 -3.358
609 HG12 VAL 81 HG12 VAL 81 -19.034 -3.798 -4.716
610 HG13 VAL 81 HG13 VAL 81 -17.926 -2.457 -5.008
611 HG21 VAL 81 HG21 VAL 81 -15.541 -2.766 -4.943
612 HG22 VAL 81 HG22 VAL 81 -14.832 -4.282 -4.387
613 HG23 VAL 81 HG23 VAL 81 -15.611 -3.198 -3.234
614 H CYS 82 HN CYS 82 -15.429 -5.414 -1.679
615 HA CYS 82 HA CYS 82 -13.515 -7.135 -3.023
616 HB2 CYS 82 HB2 CYS 82 -13.344 -5.642 -0.402
617 HB3 CYS 82 HB3 CYS 82 -12.032 -6.574 -1.114
618 H GLY 83 HN GLY 83 -15.634 -7.146 -0.225
619 HA2 GLY 83 HA2 GLY 83 -16.651 -9.071 0.645
620 HA3 GLY 83 HA1 GLY 83 -15.452 -10.057 -0.180
621 H SER 84 HN SER 84 -13.354 -10.262 0.754
622 HA SER 84 HA SER 84 -13.487 -10.261 3.639
623 HB2 SER 84 HB2 SER 84 -11.196 -11.372 3.379
624 HB3 SER 84 HB3 SER 84 -12.581 -12.242 2.721
625 HG SER 84 HG SER 84 -10.451 -11.737 1.433
626 H TYR 85 HN TYR 85 -11.513 -8.733 1.117
627 HA TYR 85 HA TYR 85 -10.013 -7.192 3.023
628 HB2 TYR 85 HB2 TYR 85 -10.128 -7.339 0.044
629 HB3 TYR 85 HB3 TYR 85 -9.431 -5.902 0.793
630 HD1 TYR 85 HD1 TYR 85 -8.981 -8.791 2.816
631 HD2 TYR 85 HD2 TYR 85 -7.372 -6.739 -0.561
632 HE1 TYR 85 HE1 TYR 85 -6.843 -9.946 3.127
633 HE2 TYR 85 HE2 TYR 85 -5.266 -7.888 -0.257
634 HH TYR 85 HH TYR 85 -4.893 -10.500 2.036
635 H ARG 86 HN ARG 86 -9.933 -4.881 3.018
636 HA ARG 86 HA ARG 86 -12.601 -3.686 2.723
637 HB2 ARG 86 HB2 ARG 86 -11.848 -2.028 4.356
638 HB3 ARG 86 HB3 ARG 86 -11.662 -3.645 5.009
639 HG2 ARG 86 HG2 ARG 86 -9.258 -3.553 4.416
640 HG3 ARG 86 HG3 ARG 86 -9.488 -1.884 3.892
641 HD2 ARG 86 HD2 ARG 86 -8.620 -1.847 6.117
642 HD3 ARG 86 HD3 ARG 86 -10.312 -1.355 6.183
643 HE ARG 86 HE ARG 86 -9.623 -4.152 6.723
644 HH11 ARG 86 HH11 ARG 86 -10.833 -1.066 7.863
645 HH12 ARG 86 HH12 ARG 86 -11.385 -1.711 9.381
646 HH21 ARG 86 HH21 ARG 86 -10.354 -4.989 8.709
647 HH22 ARG 86 HH22 ARG 86 -11.119 -3.934 9.858
648 H CYS 87 HN CYS 87 -12.757 -1.594 1.698
649 HA CYS 87 HA CYS 87 -10.729 -1.346 -0.374
650 HB2 CYS 87 HB2 CYS 87 -13.114 -1.310 -0.989
651 HB3 CYS 87 HB3 CYS 87 -13.332 0.145 -0.025
652 H CYS 88 HN CYS 88 -9.028 -0.090 -0.037
653 HA CYS 88 HA CYS 88 -9.166 1.971 1.990
654 HB2 CYS 88 HB2 CYS 88 -6.869 0.884 0.360
655 HB3 CYS 88 HB3 CYS 88 -6.703 2.162 1.565
656 H ARG 89 HN ARG 89 -10.290 3.620 1.263
657 HA ARG 89 HA ARG 89 -9.593 4.879 -1.290
658 HB2 ARG 89 HB2 ARG 89 -11.957 4.987 0.544
659 HB3 ARG 89 HB3 ARG 89 -11.655 6.339 -0.538
660 HG2 ARG 89 HG2 ARG 89 -11.757 3.539 -1.580
661 HG3 ARG 89 HG3 ARG 89 -13.237 4.457 -1.291
662 HD2 ARG 89 HD2 ARG 89 -10.945 5.431 -2.983
663 HD3 ARG 89 HD3 ARG 89 -12.368 4.611 -3.624
664 HE ARG 89 HE ARG 89 -13.575 6.551 -2.388
665 HH11 ARG 89 HH11 ARG 89 -10.538 6.788 -4.115
666 HH12 ARG 89 HH12 ARG 89 -10.801 8.437 -4.592
667 HH21 ARG 89 HH21 ARG 89 -13.931 8.705 -3.041
668 HH22 ARG 89 HH22 ARG 89 -12.719 9.530 -3.974
669 HA PRO 90 HA PRO 90 -6.858 7.810 0.508
670 HB2 PRO 90 HB2 PRO 90 -8.243 9.750 -1.282
671 HB3 PRO 90 HB3 PRO 90 -6.517 9.425 -1.093
672 HG2 PRO 90 HG2 PRO 90 -7.864 8.497 -3.196
673 HG3 PRO 90 HG3 PRO 90 -6.589 7.537 -2.424
674 HD2 PRO 90 HD2 PRO 90 -9.541 7.205 -2.306
675 HD3 PRO 90 HD3 PRO 90 -8.264 5.986 -2.221
676 H GLY 91 HN GLY 91 -7.059 8.700 2.449
677 HA2 GLY 91 HA2 GLY 91 -7.987 10.938 3.341
678 HA3 GLY 91 HA1 GLY 91 -9.530 10.136 3.119
679 H ARG 92 HN ARG 92 -10.198 9.997 5.146
680 HA ARG 92 HA ARG 92 -9.020 7.926 6.776
681 HB2 ARG 92 HB2 ARG 92 -7.875 9.969 7.546
682 HB3 ARG 92 HB3 ARG 92 -9.432 10.702 7.898
683 HG2 ARG 92 HG2 ARG 92 -9.880 8.938 9.545
684 HG3 ARG 92 HG3 ARG 92 -8.294 8.241 9.211
685 HD2 ARG 92 HD2 ARG 92 -8.220 9.599 11.220
686 HD3 ARG 92 HD3 ARG 92 -7.233 10.323 9.951
687 HE ARG 92 HE ARG 92 -9.750 11.481 9.779
688 HH11 ARG 92 HH11 ARG 92 -7.137 11.296 12.095
689 HH12 ARG 92 HH12 ARG 92 -7.471 12.848 12.791
690 HH21 ARG 92 HH21 ARG 92 -10.199 13.526 10.684
691 HH22 ARG 92 HH22 ARG 92 -9.223 14.115 11.991
692 H AAR 93 HN AAR 93 -11.479 10.441 6.455
693 HA AAR 93 HA AAR 93 -13.733 10.408 6.582
694 HB2 AAR 93 HB2 AAR 93 -13.384 8.704 4.859
695 HB3 AAR 93 HB3 AAR 93 -13.317 7.468 6.101
696 HG2 AAR 93 HG2 AAR 93 -15.623 7.830 6.659
697 HG3 AAR 93 HG3 AAR 93 -15.712 9.206 5.557
698 HD2 AAR 93 HD2 AAR 93 -15.186 7.690 3.683
699 HD3 AAR 93 HD3 AAR 93 -15.203 6.332 4.805
700 HE AAR 93 HE AAR 93 -17.611 7.099 5.232
701 HH11 AAR 93 HH21 AAR 93 -19.523 6.922 3.997
702 HH12 AAR 93 HH22 AAR 93 -19.435 7.010 2.266
703 HH21 AAR 93 HH11 AAR 93 -15.959 7.407 2.156
704 HH22 AAR 93 HH12 AAR 93 -17.411 7.270 1.223
705 HNT1 AAR 93 HNT1 AAR 93 -13.898 11.039 8.740
706 HNT2 AAR 93 HNT2 AAR 93 -14.355 9.923 9.997
Start of MODEL 4
1 H PCA 1 HT1 PCA 1 -0.163 0.312 11.349
2 HA PCA 1 HA PCA 1 -1.190 0.325 8.919
3 HB2 PCA 1 HB2 PCA 1 -0.114 2.924 8.689
4 HB3 PCA 1 HB3 PCA 1 -1.808 2.460 8.484
5 HG2 PCA 1 HG2 PCA 1 -0.585 3.866 10.712
6 HG3 PCA 1 HG3 PCA 1 -2.311 3.478 10.459
7 HT2 PCA 1 HT2 PCA 1 -1.695 0.122 10.963
8 H ALA 2 HN ALA 2 0.520 0.156 7.415
9 HA ALA 2 HA ALA 2 2.634 -0.200 6.660
10 HB1 ALA 2 HB1 ALA 2 3.328 1.754 8.854
11 HB2 ALA 2 HB2 ALA 2 3.030 2.125 7.155
12 HB3 ALA 2 HB3 ALA 2 4.449 1.190 7.620
13 H GLN 3 HN GLN 3 5.061 -0.493 8.013
14 HA GLN 3 HA GLN 3 6.346 -1.929 9.191
15 HB2 GLN 3 HB2 GLN 3 4.548 -1.081 10.990
16 HB3 GLN 3 HB3 GLN 3 4.136 -2.780 10.964
17 HG2 GLN 3 HG2 GLN 3 6.791 -1.564 11.669
18 HG3 GLN 3 HG1 GLN 3 5.666 -2.369 12.754
19 HE21 GLN 3 HE21 GLN 3 8.164 -2.753 10.429
20 HE22 GLN 3 HE22 GLN 3 8.356 -4.464 10.595
21 H ALA 4 HN ALA 4 6.982 -3.839 8.482
22 HA ALA 4 HA ALA 4 7.004 -5.901 7.532
23 HB1 ALA 4 HB1 ALA 4 4.502 -6.307 9.168
24 HB2 ALA 4 HB2 ALA 4 6.153 -6.538 9.739
25 HB3 ALA 4 HB3 ALA 4 5.506 -7.576 8.469
26 H LEU 5 HN LEU 5 6.605 -4.902 5.476
27 HA LEU 5 HA LEU 5 3.878 -5.258 4.434
28 HB2 LEU 5 HB2 LEU 5 6.128 -3.656 3.189
29 HB3 LEU 5 HB3 LEU 5 4.462 -3.705 2.665
30 HG LEU 5 HG LEU 5 4.601 -1.655 3.709
31 HD11 LEU 5 HD11 LEU 5 2.696 -2.873 4.548
32 HD12 LEU 5 HD12 LEU 5 3.341 -1.798 5.789
33 HD13 LEU 5 HD13 LEU 5 3.668 -3.529 5.866
34 HD21 LEU 5 HD21 LEU 5 6.852 -1.961 4.643
35 HD22 LEU 5 HD22 LEU 5 6.159 -2.881 5.980
36 HD23 LEU 5 HD23 LEU 5 5.754 -1.174 5.773
37 H LEU 6 HN LEU 6 4.487 -5.320 1.744
38 HA LEU 6 HA LEU 6 5.199 -7.899 1.089
39 HB2 LEU 6 HB2 LEU 6 5.369 -5.314 -0.449
40 HB3 LEU 6 HB3 LEU 6 5.844 -6.840 -1.177
41 HG LEU 6 HG LEU 6 3.623 -6.294 -1.888
42 HD11 LEU 6 HD11 LEU 6 3.477 -8.460 0.195
43 HD12 LEU 6 HD12 LEU 6 4.099 -8.650 -1.444
44 HD13 LEU 6 HD13 LEU 6 2.399 -8.256 -1.186
45 HD21 LEU 6 HD21 LEU 6 2.996 -4.772 -0.106
46 HD22 LEU 6 HD22 LEU 6 2.897 -6.117 1.029
47 HD23 LEU 6 HD23 LEU 6 1.765 -6.018 -0.320
48 HA PRO 7 HA PRO 7 9.606 -8.113 1.427
49 HB2 PRO 7 HB2 PRO 7 9.801 -9.478 -1.157
50 HB3 PRO 7 HB3 PRO 7 10.118 -10.110 0.457
51 HG2 PRO 7 HG2 PRO 7 7.987 -10.865 -1.033
52 HG3 PRO 7 HG3 PRO 7 7.975 -10.836 0.731
53 HD2 PRO 7 HD2 PRO 7 6.779 -8.915 -1.197
54 HD3 PRO 7 HD3 PRO 7 6.174 -9.455 0.382
55 H ILE 8 HN ILE 8 11.536 -7.279 0.547
56 HA ILE 8 HA ILE 8 11.250 -4.914 -0.918
57 HB ILE 8 HB ILE 8 13.875 -5.360 -1.267
58 HG12 ILE 8 HG12 ILE 8 14.757 -6.497 0.740
59 HG13 ILE 8 HG11 ILE 8 13.124 -6.957 1.193
60 HG21 ILE 8 HG21 ILE 8 12.884 -3.471 -0.156
61 HG22 ILE 8 HG22 ILE 8 14.191 -4.123 0.830
62 HG23 ILE 8 HG23 ILE 8 12.506 -4.454 1.258
63 HD11 ILE 8 HD11 ILE 8 12.955 -8.318 -0.830
64 HD12 ILE 8 HD12 ILE 8 14.314 -8.811 0.180
65 HD13 ILE 8 HD13 ILE 8 14.596 -7.853 -1.275
66 H ALA 9 HN ALA 9 11.518 -8.140 -2.014
67 HA ALA 9 HA ALA 9 12.507 -7.524 -4.624
68 HB1 ALA 9 HB1 ALA 9 11.003 -9.944 -3.650
69 HB2 ALA 9 HB2 ALA 9 12.756 -9.755 -3.683
70 HB3 ALA 9 HB3 ALA 9 11.843 -9.800 -5.192
71 H SER 10 HN SER 10 9.389 -7.581 -3.062
72 HA SER 10 HA SER 10 7.788 -7.680 -5.387
73 HB2 SER 10 HB2 SER 10 6.998 -8.110 -3.038
74 HB3 SER 10 HB3 SER 10 7.074 -6.373 -2.755
75 HG SER 10 HG SER 10 5.291 -7.864 -4.296
76 H TYR 11 HN TYR 11 9.580 -5.115 -3.881
77 HA TYR 11 HA TYR 11 8.297 -3.168 -5.679
78 HB2 TYR 11 HB2 TYR 11 10.206 -2.311 -3.580
79 HB3 TYR 11 HB3 TYR 11 8.820 -1.465 -4.237
80 HD1 TYR 11 HD1 TYR 11 6.553 -1.996 -3.406
81 HD2 TYR 11 HD2 TYR 11 10.036 -3.707 -1.695
82 HE1 TYR 11 HE1 TYR 11 5.264 -2.586 -1.400
83 HE2 TYR 11 HE2 TYR 11 8.762 -4.309 0.327
84 HH TYR 11 HH TYR 11 6.799 -3.792 1.461
85 H ALA 12 HN ALA 12 10.641 -5.228 -6.035
86 HA ALA 12 HA ALA 12 13.065 -3.883 -6.217
87 HB1 ALA 12 HB1 ALA 12 12.137 -6.157 -7.967
88 HB2 ALA 12 HB2 ALA 12 12.811 -6.324 -6.346
89 HB3 ALA 12 HB3 ALA 12 13.808 -5.685 -7.653
90 H GLY 13 HN GLY 13 13.511 -2.116 -7.303
91 HA2 GLY 13 HA2 GLY 13 13.721 -0.597 -9.008
92 HA3 GLY 13 HA1 GLY 13 13.290 -1.892 -10.121
93 H LEU 14 HN LEU 14 11.399 -0.590 -7.460
94 HA LEU 14 HA LEU 14 9.464 0.495 -9.388
95 HB2 LEU 14 HB2 LEU 14 8.822 -1.259 -7.019
96 HB3 LEU 14 HB3 LEU 14 7.636 -0.464 -8.040
97 HG LEU 14 HG LEU 14 9.621 -2.497 -9.052
98 HD11 LEU 14 HD11 LEU 14 6.763 -2.852 -8.182
99 HD12 LEU 14 HD12 LEU 14 8.197 -3.591 -7.469
100 HD13 LEU 14 HD13 LEU 14 7.689 -4.041 -9.096
101 HD21 LEU 14 HD21 LEU 14 7.129 -1.309 -10.267
102 HD22 LEU 14 HD22 LEU 14 8.097 -2.600 -10.977
103 HD23 LEU 14 HD23 LEU 14 8.791 -0.993 -10.762
104 H THR 15 HN THR 15 7.992 2.054 -8.457
105 HA THR 15 HA THR 15 9.318 3.547 -6.309
106 HB THR 15 HB THR 15 7.191 4.633 -8.135
107 HG1 THR 15 HG1 THR 15 8.943 3.757 -9.399
108 HG21 THR 15 HG21 THR 15 9.505 5.972 -6.737
109 HG22 THR 15 HG22 THR 15 7.848 5.942 -6.140
110 HG23 THR 15 HG23 THR 15 8.226 6.763 -7.653
111 H VAL 16 HN VAL 16 8.455 3.361 -4.374
112 HA VAL 16 HA VAL 16 5.607 2.659 -4.097
113 HB VAL 16 HB VAL 16 6.128 1.781 -1.918
114 HG11 VAL 16 HG11 VAL 16 8.031 0.835 -4.055
115 HG12 VAL 16 HG12 VAL 16 6.379 0.280 -3.783
116 HG13 VAL 16 HG13 VAL 16 7.633 -0.062 -2.590
117 HG21 VAL 16 HG21 VAL 16 8.426 1.684 -1.081
118 HG22 VAL 16 HG22 VAL 16 7.870 3.347 -1.265
119 HG23 VAL 16 HG23 VAL 16 8.966 2.647 -2.456
120 H SER 17 HN SER 17 4.440 3.615 -2.290
121 HA SER 17 HA SER 17 4.800 6.438 -2.300
122 HB2 SER 17 HB2 SER 17 2.555 5.291 -2.238
123 HB3 SER 17 HB3 SER 17 2.897 4.873 -0.565
124 HG SER 17 HG SER 17 2.278 7.341 -1.703
125 H ALA 18 HN ALA 18 4.975 7.780 -0.336
126 HA ALA 18 HA ALA 18 7.245 7.211 1.131
127 HB1 ALA 18 HB1 ALA 18 4.995 9.015 1.989
128 HB2 ALA 18 HB2 ALA 18 6.303 9.454 0.895
129 HB3 ALA 18 HB3 ALA 18 6.654 9.056 2.576
130 HA PRO 19 HA PRO 19 4.182 5.782 4.832
131 HB2 PRO 19 HB2 PRO 19 2.338 4.347 2.988
132 HB3 PRO 19 HB3 PRO 19 2.000 5.128 4.536
133 HG2 PRO 19 HG2 PRO 19 1.323 6.274 2.224
134 HG3 PRO 19 HG3 PRO 19 1.892 7.235 3.599
135 HD2 PRO 19 HD2 PRO 19 3.276 6.524 1.079
136 HD3 PRO 19 HD3 PRO 19 3.459 7.955 2.102
137 H VAL 20 HN VAL 20 4.485 3.906 1.824
138 HA VAL 20 HA VAL 20 5.057 1.481 3.287
139 HB VAL 20 HB VAL 20 3.908 0.771 1.475
140 HG11 VAL 20 HG11 VAL 20 3.844 1.882 -0.713
141 HG12 VAL 20 HG12 VAL 20 5.009 3.067 -0.120
142 HG13 VAL 20 HG13 VAL 20 3.410 2.954 0.618
143 HG21 VAL 20 HG21 VAL 20 6.025 -0.348 1.133
144 HG22 VAL 20 HG22 VAL 20 6.647 1.035 0.233
145 HG23 VAL 20 HG23 VAL 20 5.339 0.063 -0.444
146 H PHE 21 HN PHE 21 6.743 3.854 1.349
147 HA PHE 21 HA PHE 21 9.243 2.639 1.105
148 HB2 PHE 21 HB2 PHE 21 8.439 4.740 -0.032
149 HB3 PHE 21 HB3 PHE 21 8.717 5.586 1.484
150 HD1 PHE 21 HD1 PHE 21 10.254 3.987 -1.391
151 HD2 PHE 21 HD2 PHE 21 10.959 6.005 2.281
152 HE1 PHE 21 HE1 PHE 21 12.607 4.297 -2.019
153 HE2 PHE 21 HE2 PHE 21 13.313 6.337 1.655
154 HZ PHE 21 HZ PHE 21 14.145 5.481 -0.506
155 H ALA 22 HN ALA 22 8.121 4.982 3.539
156 HA ALA 22 HA ALA 22 10.493 4.928 5.068
157 HB1 ALA 22 HB1 ALA 22 7.710 5.728 5.900
158 HB2 ALA 22 HB2 ALA 22 8.916 6.781 5.161
159 HB3 ALA 22 HB3 ALA 22 9.196 6.109 6.768
160 H ALA 23 HN ALA 23 7.565 3.005 5.147
161 HA ALA 23 HA ALA 23 8.105 1.747 7.650
162 HB1 ALA 23 HB1 ALA 23 6.380 0.794 5.373
163 HB2 ALA 23 HB2 ALA 23 5.862 1.913 6.630
164 HB3 ALA 23 HB3 ALA 23 6.314 0.261 7.055
165 H LEU 24 HN LEU 24 8.650 0.981 4.273
166 HA LEU 24 HA LEU 24 9.921 -1.490 4.518
167 HB2 LEU 24 HB2 LEU 24 9.656 0.647 2.583
168 HB3 LEU 24 HB3 LEU 24 11.243 -0.082 2.523
169 HG LEU 24 HG LEU 24 10.424 -2.124 1.785
170 HD11 LEU 24 HD11 LEU 24 8.727 -2.452 3.518
171 HD12 LEU 24 HD12 LEU 24 8.105 -2.829 1.915
172 HD13 LEU 24 HD13 LEU 24 7.669 -1.306 2.694
173 HD21 LEU 24 HD21 LEU 24 8.905 -1.570 -0.053
174 HD22 LEU 24 HD22 LEU 24 10.191 -0.375 0.123
175 HD23 LEU 24 HD23 LEU 24 8.568 -0.016 0.710
176 H VAL 25 HN VAL 25 11.295 1.791 4.531
177 HA VAL 25 HA VAL 25 13.950 1.048 5.070
178 HB VAL 25 HB VAL 25 12.514 3.580 5.900
179 HG11 VAL 25 HG11 VAL 25 14.748 4.575 6.021
180 HG12 VAL 25 HG12 VAL 25 15.464 3.000 5.670
181 HG13 VAL 25 HG13 VAL 25 14.568 3.246 7.170
182 HG21 VAL 25 HG21 VAL 25 12.428 3.225 3.507
183 HG22 VAL 25 HG22 VAL 25 14.167 2.934 3.465
184 HG23 VAL 25 HG23 VAL 25 13.551 4.533 3.883
185 H THR 26 HN THR 26 11.175 1.268 7.106
186 HA THR 26 HA THR 26 12.503 1.296 9.603
187 HB THR 26 HB THR 26 9.715 0.376 8.850
188 HG1 THR 26 HG1 THR 26 10.303 2.665 8.666
189 HG21 THR 26 HG21 THR 26 9.185 0.458 11.237
190 HG22 THR 26 HG22 THR 26 10.870 0.819 11.613
191 HG23 THR 26 HG23 THR 26 10.436 -0.743 10.916
192 H VAL 27 HN VAL 27 11.460 -1.311 7.456
193 HA VAL 27 HA VAL 27 12.415 -3.274 9.419
194 HB VAL 27 HB VAL 27 10.326 -4.056 8.952
195 HG11 VAL 27 HG11 VAL 27 9.695 -2.232 7.466
196 HG12 VAL 27 HG12 VAL 27 9.137 -3.780 6.828
197 HG13 VAL 27 HG13 VAL 27 10.562 -3.004 6.137
198 HG21 VAL 27 HG21 VAL 27 11.751 -5.139 6.536
199 HG22 VAL 27 HG22 VAL 27 10.356 -5.853 7.348
200 HG23 VAL 27 HG23 VAL 27 11.915 -5.777 8.172
201 H TYR 28 HN TYR 28 12.546 -2.602 5.937
202 HA TYR 28 HA TYR 28 14.676 -4.516 5.552
203 HB2 TYR 28 HB2 TYR 28 13.367 -2.623 3.592
204 HB3 TYR 28 HB3 TYR 28 14.419 -3.972 3.178
205 HD1 TYR 28 HD1 TYR 28 13.628 -6.331 3.913
206 HD2 TYR 28 HD2 TYR 28 11.078 -2.934 3.741
207 HE1 TYR 28 HE1 TYR 28 11.665 -7.810 3.860
208 HE2 TYR 28 HE2 TYR 28 9.115 -4.402 3.689
209 HH TYR 28 HH TYR 28 8.569 -6.725 3.038
210 H GLY 29 HN GLY 29 14.221 -1.104 5.876
211 HA2 GLY 29 HA2 GLY 29 15.872 0.422 6.493
212 HA3 GLY 29 HA1 GLY 29 17.093 -0.745 6.013
213 H ALA 30 HN ALA 30 17.136 1.994 5.354
214 HA ALA 30 HA ALA 30 16.274 2.457 2.705
215 HB1 ALA 30 HB1 ALA 30 17.833 4.335 2.720
216 HB2 ALA 30 HB2 ALA 30 18.589 3.709 4.184
217 HB3 ALA 30 HB3 ALA 30 16.918 4.269 4.225
218 H TYR 31 HN TYR 31 18.928 0.732 4.076
219 HA TYR 31 HA TYR 31 20.635 0.649 1.852
220 HB2 TYR 31 HB2 TYR 31 21.169 0.007 4.244
221 HB3 TYR 31 HB3 TYR 31 20.310 -1.501 3.945
222 HD1 TYR 31 HD1 TYR 31 21.449 -3.315 3.035
223 HD2 TYR 31 HD2 TYR 31 23.072 0.583 2.661
224 HE1 TYR 31 HE1 TYR 31 23.497 -4.278 2.063
225 HE2 TYR 31 HE2 TYR 31 25.136 -0.355 1.689
226 HH TYR 31 HH TYR 31 26.361 -2.502 1.680
227 H ALA 32 HN ALA 32 18.182 -1.724 2.985
228 HA ALA 32 HA ALA 32 18.499 -3.462 0.797
229 HB1 ALA 32 HB1 ALA 32 17.429 -4.207 2.837
230 HB2 ALA 32 HB2 ALA 32 16.343 -4.423 1.466
231 HB3 ALA 32 HB3 ALA 32 16.103 -3.076 2.579
232 H LEU 33 HN LEU 33 16.266 -0.769 1.381
233 HA LEU 33 HA LEU 33 14.781 -1.116 -0.972
234 HB2 LEU 33 HB2 LEU 33 15.109 0.956 1.076
235 HB3 LEU 33 HB3 LEU 33 14.674 1.587 -0.504
236 HG LEU 33 HG LEU 33 12.695 0.170 -0.547
237 HD11 LEU 33 HD11 LEU 33 13.424 -0.679 2.245
238 HD12 LEU 33 HD12 LEU 33 13.721 -1.667 0.817
239 HD13 LEU 33 HD13 LEU 33 12.071 -1.232 1.258
240 HD21 LEU 33 HD21 LEU 33 11.446 1.307 1.157
241 HD22 LEU 33 HD22 LEU 33 12.644 2.415 0.485
242 HD23 LEU 33 HD23 LEU 33 12.923 1.656 2.054
243 H TYR 34 HN TYR 34 17.730 0.685 -0.310
244 HA TYR 34 HA TYR 34 17.988 1.875 -2.860
245 HB2 TYR 34 HB2 TYR 34 19.326 2.822 -1.179
246 HB3 TYR 34 HB3 TYR 34 19.877 1.254 -0.605
247 HD1 TYR 34 HD1 TYR 34 20.287 3.802 -3.229
248 HD2 TYR 34 HD2 TYR 34 21.775 0.180 -1.563
249 HE1 TYR 34 HE1 TYR 34 22.337 4.037 -4.564
250 HE2 TYR 34 HE2 TYR 34 23.832 0.410 -2.896
251 HH TYR 34 HH TYR 34 24.590 1.513 -4.941
252 H ARG 35 HN ARG 35 18.822 -1.209 -1.486
253 HA ARG 35 HA ARG 35 20.602 -2.072 -3.487
254 HB2 ARG 35 HB2 ARG 35 19.055 -3.366 -1.302
255 HB3 ARG 35 HB3 ARG 35 19.765 -4.399 -2.540
256 HG2 ARG 35 HG2 ARG 35 21.955 -3.235 -2.031
257 HG3 ARG 35 HG3 ARG 35 21.147 -2.561 -0.615
258 HD2 ARG 35 HD2 ARG 35 21.235 -5.500 -1.219
259 HD3 ARG 35 HD3 ARG 35 22.451 -4.692 -0.238
260 HE ARG 35 HE ARG 35 20.333 -4.001 1.118
261 HH11 ARG 35 HH11 ARG 35 20.942 -7.078 -0.427
262 HH12 ARG 35 HH12 ARG 35 20.036 -7.990 0.737
263 HH21 ARG 35 HH21 ARG 35 19.147 -5.208 2.677
264 HH22 ARG 35 HH22 ARG 35 19.012 -6.927 2.498
265 H TYR 36 HN TYR 36 17.145 -2.517 -3.008
266 HA TYR 36 HA TYR 36 16.949 -4.049 -5.476
267 HB2 TYR 36 HB2 TYR 36 14.959 -3.403 -3.308
268 HB3 TYR 36 HB3 TYR 36 14.542 -4.300 -4.766
269 HD1 TYR 36 HD1 TYR 36 16.762 -4.318 -1.817
270 HD2 TYR 36 HD2 TYR 36 14.976 -6.597 -4.915
271 HE1 TYR 36 HE1 TYR 36 17.589 -6.358 -0.757
272 HE2 TYR 36 HE2 TYR 36 15.783 -8.672 -3.864
273 HH TYR 36 HH TYR 36 17.639 -9.346 -2.318
274 H ASN 37 HN ASN 37 17.369 -1.012 -5.164
275 HA ASN 37 HA ASN 37 16.747 0.924 -6.181
276 HB2 ASN 37 HB2 ASN 37 17.262 -0.677 -8.136
277 HB3 ASN 37 HB3 ASN 37 15.524 -0.761 -8.355
278 HD21 ASN 37 HD21 ASN 37 14.422 1.032 -9.123
279 HD22 ASN 37 HD22 ASN 37 15.233 2.384 -9.830
280 H ILE 38 HN ILE 38 14.991 0.117 -4.248
281 HA ILE 38 HA ILE 38 12.306 0.455 -5.284
282 HB ILE 38 HB ILE 38 13.294 0.273 -2.437
283 HG12 ILE 38 HG12 ILE 38 11.970 -1.795 -4.204
284 HG13 ILE 38 HG11 ILE 38 13.680 -1.758 -3.809
285 HG21 ILE 38 HG21 ILE 38 11.173 1.456 -2.607
286 HG22 ILE 38 HG22 ILE 38 10.941 -0.138 -1.884
287 HG23 ILE 38 HG23 ILE 38 10.503 0.138 -3.571
288 HD11 ILE 38 HD11 ILE 38 13.137 -2.077 -1.460
289 HD12 ILE 38 HD12 ILE 38 12.535 -3.388 -2.472
290 HD13 ILE 38 HD13 ILE 38 11.426 -2.152 -1.871
291 H ARG 39 HN ARG 39 11.499 2.359 -5.675
292 HA ARG 39 HA ARG 39 12.959 4.706 -4.712
293 HB2 ARG 39 HB2 ARG 39 10.812 4.725 -6.804
294 HB3 ARG 39 HB3 ARG 39 12.090 5.893 -6.550
295 HG2 ARG 39 HG2 ARG 39 12.276 3.166 -7.765
296 HG3 ARG 39 HG3 ARG 39 12.583 4.732 -8.498
297 HD2 ARG 39 HD2 ARG 39 14.241 3.397 -6.373
298 HD3 ARG 39 HD3 ARG 39 14.663 3.578 -8.071
299 HE ARG 39 HE ARG 39 14.193 6.023 -6.547
300 HH11 ARG 39 HH11 ARG 39 16.473 3.807 -8.026
301 HH12 ARG 39 HH12 ARG 39 17.792 4.929 -7.972
302 HH21 ARG 39 HH21 ARG 39 15.937 7.508 -6.494
303 HH22 ARG 39 HH22 ARG 39 17.489 7.032 -7.108
304 H ARG 40 HN ARG 40 11.391 6.699 -4.637
305 HA ARG 40 HA ARG 40 9.047 5.944 -3.011
306 HB2 ARG 40 HB2 ARG 40 10.984 6.811 -1.645
307 HB3 ARG 40 HB3 ARG 40 10.793 8.348 -2.481
308 HG2 ARG 40 HG2 ARG 40 8.497 8.512 -1.624
309 HG3 ARG 40 HG3 ARG 40 8.731 6.999 -0.748
310 HD2 ARG 40 HD2 ARG 40 9.093 8.755 0.805
311 HD3 ARG 40 HD3 ARG 40 10.675 8.090 0.406
312 HE ARG 40 HE ARG 40 9.716 10.469 -1.013
313 HH11 ARG 40 HH11 ARG 40 11.937 9.004 1.258
314 HH12 ARG 40 HH12 ARG 40 13.049 10.332 1.229
315 HH21 ARG 40 HH21 ARG 40 11.157 12.250 -1.015
316 HH22 ARG 40 HH22 ARG 40 12.598 12.188 -0.051
317 H ARG 41 HN ARG 41 7.197 6.984 -3.436
318 HA ARG 41 HA ARG 41 7.338 9.351 -5.176
319 HB2 ARG 41 HB2 ARG 41 5.172 8.582 -6.226
320 HB3 ARG 41 HB3 ARG 41 6.615 7.688 -6.671
321 HG2 ARG 41 HG2 ARG 41 6.003 5.885 -5.192
322 HG3 ARG 41 HG3 ARG 41 4.611 6.801 -4.610
323 HD2 ARG 41 HD2 ARG 41 4.160 5.023 -6.365
324 HD3 ARG 41 HD3 ARG 41 3.499 6.626 -6.674
325 HE ARG 41 HE ARG 41 5.720 6.837 -8.043
326 HH11 ARG 41 HH11 ARG 41 3.698 4.001 -7.783
327 HH12 ARG 41 HH12 ARG 41 3.999 3.468 -9.400
328 HH21 ARG 41 HH21 ARG 41 6.152 6.132 -10.170
329 HH22 ARG 41 HH22 ARG 41 5.421 4.672 -10.756
330 H GLU 42 HN GLU 42 5.067 10.360 -5.308
331 HA GLU 42 HA GLU 42 4.543 11.230 -2.590
332 HB2 GLU 42 HB2 GLU 42 3.158 12.862 -4.328
333 HB3 GLU 42 HB3 GLU 42 4.753 13.175 -3.646
334 HG2 GLU 42 HG2 GLU 42 4.871 13.556 -5.979
335 HG3 GLU 42 HG3 GLU 42 5.749 12.071 -5.634
336 H ASN 43 HN ASN 43 2.298 12.320 -2.509
337 HA ASN 43 HA ASN 43 0.121 12.538 -2.858
338 HB2 ASN 43 HB2 ASN 43 0.757 10.571 -4.956
339 HB3 ASN 43 HB3 ASN 43 -0.930 10.820 -4.522
340 HD21 ASN 43 HD21 ASN 43 0.416 11.446 -7.006
341 HD22 ASN 43 HD22 ASN 43 0.253 13.151 -7.243
342 H SER 44 HN SER 44 -1.536 11.999 -1.875
343 HA SER 44 HA SER 44 -1.430 10.194 0.263
344 HB2 SER 44 HB2 SER 44 -2.644 12.341 0.227
345 HB3 SER 44 HB3 SER 44 -3.781 11.649 -0.929
346 HG SER 44 HG SER 44 -4.004 9.955 0.867
347 H TYR 45 HN TYR 45 -2.921 9.933 -2.912
348 HA TYR 45 HA TYR 45 -4.917 8.100 -2.187
349 HB2 TYR 45 HB2 TYR 45 -5.310 7.737 -4.524
350 HB3 TYR 45 HB3 TYR 45 -4.924 9.441 -4.298
351 HD1 TYR 45 HD1 TYR 45 -2.633 10.238 -4.849
352 HD2 TYR 45 HD2 TYR 45 -4.006 6.366 -5.938
353 HE1 TYR 45 HE1 TYR 45 -0.806 10.083 -6.465
354 HE2 TYR 45 HE2 TYR 45 -2.192 6.192 -7.592
355 HH TYR 45 HH TYR 45 0.468 8.265 -7.645
356 H GLN 46 HN GLN 46 -5.060 5.914 -3.361
357 HA GLN 46 HA GLN 46 -3.287 4.243 -1.956
358 HB2 GLN 46 HB2 GLN 46 -4.551 2.422 -2.822
359 HB3 GLN 46 HB3 GLN 46 -5.680 3.734 -2.528
360 HG2 GLN 46 HG2 GLN 46 -4.527 3.064 -5.226
361 HG3 GLN 46 HG1 GLN 46 -6.073 2.473 -4.632
362 HE21 GLN 46 HE21 GLN 46 -6.749 4.961 -3.298
363 HE22 GLN 46 HE22 GLN 46 -7.174 6.081 -4.548
364 H ARG 47 HN ARG 47 -1.393 3.429 -2.490
365 HA ARG 47 HA ARG 47 -0.753 2.840 -5.256
366 HB2 ARG 47 HB2 ARG 47 -0.021 5.246 -4.723
367 HB3 ARG 47 HB3 ARG 47 1.177 4.522 -3.661
368 HG2 ARG 47 HG2 ARG 47 2.188 5.043 -5.774
369 HG3 ARG 47 HG3 ARG 47 2.103 3.291 -5.587
370 HD2 ARG 47 HD2 ARG 47 0.007 4.854 -7.072
371 HD3 ARG 47 HD3 ARG 47 1.467 4.268 -7.861
372 HE ARG 47 HE ARG 47 0.663 1.986 -7.002
373 HH11 ARG 47 HH11 ARG 47 -1.467 4.588 -7.970
374 HH12 ARG 47 HH12 ARG 47 -2.741 3.531 -8.482
375 HH21 ARG 47 HH21 ARG 47 -1.015 0.588 -7.689
376 HH22 ARG 47 HH22 ARG 47 -2.479 1.258 -8.336
377 H ILE 48 HN ILE 48 -1.334 1.067 -3.440
378 HA ILE 48 HA ILE 48 1.022 0.202 -1.973
379 HB ILE 48 HB ILE 48 -1.688 -1.119 -2.123
380 HG12 ILE 48 HG12 ILE 48 -0.727 0.800 0.004
381 HG13 ILE 48 HG11 ILE 48 -1.705 1.314 -1.367
382 HG21 ILE 48 HG21 ILE 48 0.555 -1.295 -0.113
383 HG22 ILE 48 HG22 ILE 48 0.078 -2.545 -1.263
384 HG23 ILE 48 HG23 ILE 48 -1.015 -2.081 0.040
385 HD11 ILE 48 HD11 ILE 48 -3.499 -0.150 -0.652
386 HD12 ILE 48 HD12 ILE 48 -3.041 0.959 0.639
387 HD13 ILE 48 HD13 ILE 48 -2.514 -0.721 0.691
388 H ARG 49 HN ARG 49 2.110 -1.719 -2.370
389 HA ARG 49 HA ARG 49 1.963 -2.665 -5.094
390 HB2 ARG 49 HB2 ARG 49 4.126 -2.168 -3.970
391 HB3 ARG 49 HB3 ARG 49 3.823 -3.489 -2.855
392 HG2 ARG 49 HG2 ARG 49 5.392 -4.118 -4.612
393 HG3 ARG 49 HG3 ARG 49 3.921 -5.086 -4.678
394 HD2 ARG 49 HD2 ARG 49 3.087 -3.771 -6.519
395 HD3 ARG 49 HD3 ARG 49 4.464 -2.674 -6.402
396 HE ARG 49 HE ARG 49 5.738 -4.942 -6.831
397 HH11 ARG 49 HH11 ARG 49 2.824 -3.753 -8.370
398 HH12 ARG 49 HH12 ARG 49 3.146 -4.541 -9.880
399 HH21 ARG 49 HH21 ARG 49 6.163 -5.979 -8.826
400 HH22 ARG 49 HH22 ARG 49 5.039 -5.810 -10.138
401 H SER 50 HN SER 50 -0.340 -3.308 -3.929
402 HA SER 50 HA SER 50 -1.816 -5.010 -3.664
403 HB2 SER 50 HB2 SER 50 -0.558 -5.709 -5.777
404 HB3 SER 50 HB3 SER 50 0.317 -6.841 -4.752
405 HG SER 50 HG SER 50 -2.029 -7.190 -5.882
406 H ASP 51 HN ASP 51 -1.370 -7.720 -3.125
407 HA ASP 51 HA ASP 51 0.266 -8.252 -0.896
408 HB2 ASP 51 HB2 ASP 51 -1.630 -6.644 0.003
409 HB3 ASP 51 HB3 ASP 51 -2.610 -8.094 -0.052
410 H HIS 52 HN HIS 52 -1.742 -10.109 0.319
411 HA HIS 52 HA HIS 52 -1.315 -12.160 -1.635
412 HB2 HIS 52 HB2 HIS 52 -2.245 -13.720 -0.006
413 HB3 HIS 52 HB3 HIS 52 -0.982 -12.731 0.681
414 HD1 HIS 52 HD1 HIS 52 -4.770 -13.088 0.731
415 HD2 HIS 52 HD2 HIS 52 -1.670 -11.462 2.989
416 HE1 HIS 52 HE1 HIS 52 -5.803 -12.395 2.916
417 HE2 HIS 52 HE2 HIS 52 -3.919 -11.416 4.265
418 H ASP 53 HN ASP 53 -4.134 -10.306 -0.631
419 HA ASP 53 HA ASP 53 -5.557 -11.529 -2.905
420 HB2 ASP 53 HB2 ASP 53 -6.655 -11.108 -0.129
421 HB3 ASP 53 HB3 ASP 53 -7.707 -11.196 -1.530
422 H SER 54 HN SER 54 -4.129 -9.105 -2.938
423 HA SER 54 HA SER 54 -6.031 -6.967 -2.468
424 HB2 SER 54 HB2 SER 54 -3.139 -7.098 -3.107
425 HB3 SER 54 HB3 SER 54 -4.005 -5.607 -3.441
426 HG SER 54 HG SER 54 -4.611 -5.560 -1.249
427 H HIS 55 HN HIS 55 -6.660 -5.451 -3.983
428 HA HIS 55 HA HIS 55 -6.158 -5.672 -6.748
429 HB2 HIS 55 HB2 HIS 55 -8.569 -6.221 -7.391
430 HB3 HIS 55 HB3 HIS 55 -7.553 -7.558 -6.887
431 HD1 HIS 55 HD1 HIS 55 -10.741 -5.910 -6.176
432 HD2 HIS 55 HD2 HIS 55 -8.127 -8.465 -4.196
433 HE1 HIS 55 HE1 HIS 55 -12.085 -6.957 -4.344
434 HE2 HIS 55 HE2 HIS 55 -10.545 -8.649 -3.291
435 H SER 56 HN SER 56 -8.070 -4.338 -7.932
436 HA SER 56 HA SER 56 -8.077 -1.812 -6.511
437 HB2 SER 56 HB2 SER 56 -8.950 -2.485 -9.290
438 HB3 SER 56 HB3 SER 56 -8.819 -0.860 -8.640
439 HG SER 56 HG SER 56 -6.674 -2.717 -8.837
440 H CYS 57 HN CYS 57 -9.861 -0.611 -5.945
441 HA CYS 57 HA CYS 57 -12.536 -1.571 -6.580
442 HB2 CYS 57 HB2 CYS 57 -13.231 -1.461 -4.198
443 HB3 CYS 57 HB3 CYS 57 -12.063 -2.743 -4.503
444 H ALA 58 HN ALA 58 -14.132 0.062 -5.338
445 HA ALA 58 HA ALA 58 -14.957 2.168 -5.190
446 HB1 ALA 58 HB1 ALA 58 -12.103 2.899 -4.526
447 HB2 ALA 58 HB2 ALA 58 -13.332 2.378 -3.372
448 HB3 ALA 58 HB3 ALA 58 -13.524 3.902 -4.239
449 H ASN 59 HN ASN 59 -14.400 1.286 -7.736
450 HA ASN 59 HA ASN 59 -14.001 1.889 -9.899
451 HB2 ASN 59 HB2 ASN 59 -15.577 3.760 -9.153
452 HB3 ASN 59 HB3 ASN 59 -14.144 4.765 -8.970
453 HD21 ASN 59 HD21 ASN 59 -16.189 3.068 -11.211
454 HD22 ASN 59 HD22 ASN 59 -15.646 3.884 -12.637
455 H ASN 60 HN ASN 60 -11.843 1.234 -8.436
456 HA ASN 60 HA ASN 60 -9.618 1.359 -8.123
457 HB2 ASN 60 HB2 ASN 60 -9.722 1.139 -10.610
458 HB3 ASN 60 HB3 ASN 60 -9.580 2.888 -10.726
459 HD21 ASN 60 HD21 ASN 60 -7.870 1.135 -8.235
460 HD22 ASN 60 HD22 ASN 60 -6.297 1.333 -8.918
461 H ARG 61 HN ARG 61 -11.317 3.600 -7.145
462 HA ARG 61 HA ARG 61 -9.221 5.630 -6.841
463 HB2 ARG 61 HB2 ARG 61 -12.121 5.634 -5.970
464 HB3 ARG 61 HB3 ARG 61 -10.984 6.940 -5.657
465 HG2 ARG 61 HG2 ARG 61 -10.768 7.402 -7.993
466 HG3 ARG 61 HG3 ARG 61 -11.711 5.970 -8.412
467 HD2 ARG 61 HD2 ARG 61 -12.748 8.329 -6.846
468 HD3 ARG 61 HD3 ARG 61 -13.008 8.070 -8.571
469 HE ARG 61 HE ARG 61 -13.858 5.809 -7.088
470 HH11 ARG 61 HH11 ARG 61 -14.782 9.094 -7.874
471 HH12 ARG 61 HH12 ARG 61 -16.479 8.802 -7.668
472 HH21 ARG 61 HH21 ARG 61 -16.097 5.417 -6.827
473 HH22 ARG 61 HH22 ARG 61 -17.228 6.709 -7.075
474 H GLY 62 HN GLY 62 -9.758 2.782 -5.685
475 HA2 GLY 62 HA2 GLY 62 -8.382 3.363 -3.212
476 HA3 GLY 62 HA1 GLY 62 -9.967 2.617 -3.020
477 H TRP 63 HN TRP 63 -6.951 1.796 -2.791
478 HA TRP 63 HA TRP 63 -7.073 -0.676 -4.324
479 HB2 TRP 63 HB2 TRP 63 -4.928 0.576 -4.054
480 HB3 TRP 63 HB3 TRP 63 -4.979 0.222 -2.330
481 HD1 TRP 63 HD1 TRP 63 -3.922 -2.014 -1.579
482 HE1 TRP 63 HE1 TRP 63 -2.999 -4.082 -2.793
483 HE3 TRP 63 HE3 TRP 63 -5.380 -0.859 -6.323
484 HZ2 TRP 63 HZ2 TRP 63 -2.898 -5.086 -5.452
485 HZ3 TRP 63 HZ3 TRP 63 -4.840 -2.405 -8.141
486 HH2 TRP 63 HH2 TRP 63 -3.629 -4.482 -7.719
487 H CYS 64 HN CYS 64 -7.523 -2.673 -3.508
488 HA CYS 64 HA CYS 64 -8.639 -2.877 -0.860
489 HB2 CYS 64 HB2 CYS 64 -8.042 -5.095 -2.826
490 HB3 CYS 64 HB3 CYS 64 -9.105 -5.189 -1.432
491 H ARG 65 HN ARG 65 -7.403 -3.088 0.887
492 HA ARG 65 HA ARG 65 -5.103 -4.911 0.747
493 HB2 ARG 65 HB2 ARG 65 -4.872 -2.115 0.933
494 HB3 ARG 65 HB3 ARG 65 -4.579 -2.715 2.555
495 HG2 ARG 65 HG2 ARG 65 -3.094 -4.419 0.985
496 HG3 ARG 65 HG3 ARG 65 -2.908 -2.857 0.189
497 HD2 ARG 65 HD2 ARG 65 -2.001 -1.860 2.109
498 HD3 ARG 65 HD3 ARG 65 -2.568 -3.161 3.154
499 HE ARG 65 HE ARG 65 -0.628 -3.893 1.125
500 HH11 ARG 65 HH11 ARG 65 -1.172 -2.895 4.423
501 HH12 ARG 65 HH12 ARG 65 0.253 -3.669 5.039
502 HH21 ARG 65 HH21 ARG 65 1.252 -4.946 1.922
503 HH22 ARG 65 HH22 ARG 65 1.633 -4.836 3.612
504 HA PRO 66 HA PRO 66 -6.789 -6.436 4.529
505 HB2 PRO 66 HB2 PRO 66 -4.532 -7.290 5.831
506 HB3 PRO 66 HB3 PRO 66 -5.331 -8.176 4.533
507 HG2 PRO 66 HG2 PRO 66 -2.831 -6.623 4.490
508 HG3 PRO 66 HG3 PRO 66 -3.351 -7.963 3.457
509 HD2 PRO 66 HD2 PRO 66 -3.328 -5.254 2.772
510 HD3 PRO 66 HD3 PRO 66 -4.148 -6.553 1.890
511 H THR 67 HN THR 67 -4.439 -3.957 4.530
512 HA THR 67 HA THR 67 -5.574 -2.728 6.872
513 HB THR 67 HB THR 67 -2.594 -3.182 6.894
514 HG1 THR 67 HG1 THR 67 -4.613 -4.894 7.645
515 HG21 THR 67 HG21 THR 67 -4.539 -2.291 9.022
516 HG22 THR 67 HG22 THR 67 -3.393 -1.261 8.165
517 HG23 THR 67 HG23 THR 67 -2.807 -2.521 9.252
518 H CYS 68 HN CYS 68 -5.220 -0.524 6.847
519 HA CYS 68 HA CYS 68 -4.319 0.444 4.236
520 HB2 CYS 68 HB2 CYS 68 -6.182 1.652 6.289
521 HB3 CYS 68 HB3 CYS 68 -5.748 2.423 4.768
522 H PHE 69 HN PHE 69 -3.092 2.345 4.022
523 HA PHE 69 HA PHE 69 -1.218 2.773 6.228
524 HB2 PHE 69 HB2 PHE 69 -1.209 3.649 3.339
525 HB3 PHE 69 HB3 PHE 69 0.021 4.118 4.500
526 HD1 PHE 69 HD1 PHE 69 1.590 2.509 5.366
527 HD2 PHE 69 HD2 PHE 69 -1.274 1.394 2.427
528 HE1 PHE 69 HE1 PHE 69 2.896 0.489 4.862
529 HE2 PHE 69 HE2 PHE 69 0.017 -0.630 1.928
530 HZ PHE 69 HZ PHE 69 2.109 -1.090 3.143
531 H SER 70 HN SER 70 -0.479 5.114 6.510
532 HA SER 70 HA SER 70 -2.801 6.671 7.200
533 HB2 SER 70 HB2 SER 70 -0.797 6.546 8.671
534 HB3 SER 70 HB3 SER 70 0.132 7.394 7.437
535 HG SER 70 HG SER 70 -0.833 8.676 9.222
536 H HIS 71 HN HIS 71 -3.776 7.282 5.322
537 HA HIS 71 HA HIS 71 -3.425 9.456 3.902
538 HB2 HIS 71 HB2 HIS 71 -2.103 9.116 1.928
539 HB3 HIS 71 HB3 HIS 71 -1.083 8.705 3.294
540 HD1 HIS 71 HD1 HIS 71 -0.177 7.651 0.672
541 HD2 HIS 71 HD2 HIS 71 -2.902 5.603 3.028
542 HE1 HIS 71 HE1 HIS 71 -0.040 5.250 -0.069
543 HE2 HIS 71 HE2 HIS 71 -1.834 4.064 1.258
544 H GLU 72 HN GLU 72 -4.405 6.345 4.322
545 HA GLU 72 HA GLU 72 -6.739 6.805 2.663
546 HB2 GLU 72 HB2 GLU 72 -6.697 4.558 1.717
547 HB3 GLU 72 HB3 GLU 72 -5.239 5.443 1.262
548 HG2 GLU 72 HG2 GLU 72 -4.290 4.247 3.423
549 HG3 GLU 72 HG3 GLU 72 -5.569 3.098 3.038
550 H TYR 73 HN TYR 73 -8.501 5.235 3.278
551 HA TYR 73 HA TYR 73 -8.222 4.311 6.051
552 HB2 TYR 73 HB2 TYR 73 -10.460 5.286 6.566
553 HB3 TYR 73 HB3 TYR 73 -9.224 6.495 6.248
554 HD1 TYR 73 HD1 TYR 73 -12.087 4.709 4.668
555 HD2 TYR 73 HD2 TYR 73 -9.542 8.122 4.613
556 HE1 TYR 73 HE1 TYR 73 -13.531 5.733 2.957
557 HE2 TYR 73 HE2 TYR 73 -10.981 9.163 2.909
558 HH TYR 73 HH TYR 73 -12.608 8.533 1.220
559 H THR 74 HN THR 74 -10.335 3.174 6.709
560 HA THR 74 HA THR 74 -10.777 1.046 4.826
561 HB THR 74 HB THR 74 -12.026 1.537 7.540
562 HG1 THR 74 HG1 THR 74 -9.563 1.087 7.103
563 HG21 THR 74 HG21 THR 74 -12.636 -0.791 7.511
564 HG22 THR 74 HG22 THR 74 -11.832 -1.024 5.965
565 HG23 THR 74 HG23 THR 74 -13.280 -0.026 6.057
566 H ASP 75 HN ASP 75 -12.002 1.783 3.100
567 HA ASP 75 HA ASP 75 -14.576 3.015 3.619
568 HB2 ASP 75 HB2 ASP 75 -13.297 3.560 1.546
569 HB3 ASP 75 HB3 ASP 75 -13.498 1.894 1.020
570 H TRP 76 HN TRP 76 -16.222 1.864 4.302
571 HA TRP 76 HA TRP 76 -16.051 -1.000 4.358
572 HB2 TRP 76 HB2 TRP 76 -18.030 0.967 5.488
573 HB3 TRP 76 HB3 TRP 76 -18.206 -0.778 5.660
574 HD1 TRP 76 HD1 TRP 76 -16.268 2.169 7.036
575 HE1 TRP 76 HE1 TRP 76 -14.786 1.383 8.987
576 HE3 TRP 76 HE3 TRP 76 -16.845 -2.871 6.493
577 HZ2 TRP 76 HZ2 TRP 76 -13.967 -1.059 10.136
578 HZ3 TRP 76 HZ3 TRP 76 -15.670 -4.363 8.046
579 HH2 TRP 76 HH2 TRP 76 -14.258 -3.479 9.831
580 H PHE 77 HN PHE 77 -17.618 1.331 2.373
581 HA PHE 77 HA PHE 77 -19.733 -0.341 1.435
582 HB2 PHE 77 HB2 PHE 77 -19.671 2.162 1.231
583 HB3 PHE 77 HB3 PHE 77 -18.424 1.982 0.004
584 HD1 PHE 77 HD1 PHE 77 -19.027 1.769 -2.226
585 HD2 PHE 77 HD2 PHE 77 -21.900 0.948 0.803
586 HE1 PHE 77 HE1 PHE 77 -20.775 1.544 -3.946
587 HE2 PHE 77 HE2 PHE 77 -23.651 0.722 -0.910
588 HZ PHE 77 HZ PHE 77 -23.088 1.022 -3.290
589 H ASN 78 HN ASN 78 -16.619 0.641 0.012
590 HA ASN 78 HA ASN 78 -16.794 -1.406 -2.002
591 HB2 ASN 78 HB2 ASN 78 -14.524 0.418 -1.209
592 HB3 ASN 78 HB3 ASN 78 -14.467 -0.702 -2.566
593 HD21 ASN 78 HD21 ASN 78 -15.638 2.313 -1.382
594 HD22 ASN 78 HD22 ASN 78 -16.309 2.860 -2.888
595 H ASN 79 HN ASN 79 -15.949 -1.391 1.246
596 HA ASN 79 HA ASN 79 -14.065 -3.483 1.327
597 HB2 ASN 79 HB2 ASN 79 -14.846 -2.044 3.260
598 HB3 ASN 79 HB3 ASN 79 -16.313 -3.009 3.295
599 HD21 ASN 79 HD21 ASN 79 -14.227 -2.596 5.285
600 HD22 ASN 79 HD22 ASN 79 -13.651 -4.165 5.703
601 H ASP 80 HN ASP 80 -17.549 -3.371 0.933
602 HA ASP 80 HA ASP 80 -18.039 -6.148 1.062
603 HB2 ASP 80 HB2 ASP 80 -19.535 -3.846 -0.150
604 HB3 ASP 80 HB3 ASP 80 -20.084 -5.500 -0.394
605 H VAL 81 HN VAL 81 -17.263 -3.987 -1.667
606 HA VAL 81 HA VAL 81 -17.539 -6.035 -3.624
607 HB VAL 81 HB VAL 81 -16.589 -4.585 -5.217
608 HG11 VAL 81 HG11 VAL 81 -17.791 -2.477 -4.878
609 HG12 VAL 81 HG12 VAL 81 -18.036 -2.904 -3.185
610 HG13 VAL 81 HG13 VAL 81 -18.771 -3.882 -4.457
611 HG21 VAL 81 HG21 VAL 81 -15.363 -2.542 -4.695
612 HG22 VAL 81 HG22 VAL 81 -14.543 -3.973 -4.069
613 HG23 VAL 81 HG23 VAL 81 -15.453 -2.930 -2.977
614 H CYS 82 HN CYS 82 -15.075 -5.352 -1.372
615 HA CYS 82 HA CYS 82 -13.101 -6.896 -2.848
616 HB2 CYS 82 HB2 CYS 82 -12.919 -5.417 -0.226
617 HB3 CYS 82 HB3 CYS 82 -11.592 -6.327 -0.940
618 H GLY 83 HN GLY 83 -15.146 -7.125 -0.011
619 HA2 GLY 83 HA2 GLY 83 -15.979 -9.061 0.945
620 HA3 GLY 83 HA1 GLY 83 -14.956 -10.000 -0.128
621 H SER 84 HN SER 84 -12.583 -9.958 0.415
622 HA SER 84 HA SER 84 -12.349 -10.606 3.228
623 HB2 SER 84 HB2 SER 84 -11.396 -12.093 1.475
624 HB3 SER 84 HB3 SER 84 -10.271 -10.809 1.033
625 HG SER 84 HG SER 84 -10.452 -11.873 3.653
626 H TYR 85 HN TYR 85 -10.644 -8.493 0.931
627 HA TYR 85 HA TYR 85 -9.299 -7.099 3.067
628 HB2 TYR 85 HB2 TYR 85 -9.329 -6.850 0.078
629 HB3 TYR 85 HB3 TYR 85 -8.613 -5.584 1.077
630 HD1 TYR 85 HD1 TYR 85 -6.715 -6.483 -0.627
631 HD2 TYR 85 HD2 TYR 85 -8.118 -8.539 2.828
632 HE1 TYR 85 HE1 TYR 85 -4.642 -7.718 -0.522
633 HE2 TYR 85 HE2 TYR 85 -6.017 -9.781 2.937
634 HH TYR 85 HH TYR 85 -3.290 -8.941 1.452
635 H ARG 86 HN ARG 86 -9.431 -4.869 3.432
636 HA ARG 86 HA ARG 86 -12.071 -3.719 3.001
637 HB2 ARG 86 HB2 ARG 86 -11.322 -1.968 4.531
638 HB3 ARG 86 HB3 ARG 86 -11.089 -3.554 5.250
639 HG2 ARG 86 HG2 ARG 86 -8.683 -3.406 4.501
640 HG3 ARG 86 HG3 ARG 86 -9.005 -1.718 4.096
641 HD2 ARG 86 HD2 ARG 86 -8.025 -1.859 6.300
642 HD3 ARG 86 HD3 ARG 86 -9.700 -1.323 6.427
643 HE ARG 86 HE ARG 86 -9.112 -4.168 6.776
644 HH11 ARG 86 HH11 ARG 86 -10.077 -1.104 8.185
645 HH12 ARG 86 HH12 ARG 86 -10.618 -1.823 9.673
646 HH21 ARG 86 HH21 ARG 86 -9.828 -5.106 8.720
647 HH22 ARG 86 HH22 ARG 86 -10.477 -4.103 9.976
648 H CYS 87 HN CYS 87 -12.324 -1.672 1.946
649 HA CYS 87 HA CYS 87 -10.383 -1.350 -0.181
650 HB2 CYS 87 HB2 CYS 87 -12.824 -1.298 -0.648
651 HB3 CYS 87 HB3 CYS 87 -12.940 0.183 0.293
652 H CYS 88 HN CYS 88 -8.692 -0.103 0.086
653 HA CYS 88 HA CYS 88 -8.656 1.871 2.186
654 HB2 CYS 88 HB2 CYS 88 -6.563 0.909 0.237
655 HB3 CYS 88 HB3 CYS 88 -6.264 2.145 1.455
656 H ARG 89 HN ARG 89 -9.963 3.489 1.617
657 HA ARG 89 HA ARG 89 -9.590 4.869 -0.929
658 HB2 ARG 89 HB2 ARG 89 -11.652 4.900 1.218
659 HB3 ARG 89 HB3 ARG 89 -11.468 6.340 0.235
660 HG2 ARG 89 HG2 ARG 89 -11.878 3.618 -0.956
661 HG3 ARG 89 HG3 ARG 89 -13.222 4.661 -0.479
662 HD2 ARG 89 HD2 ARG 89 -11.057 5.323 -2.470
663 HD3 ARG 89 HD3 ARG 89 -12.732 4.930 -2.840
664 HE ARG 89 HE ARG 89 -11.859 7.360 -1.414
665 HH11 ARG 89 HH11 ARG 89 -14.159 5.671 -3.459
666 HH12 ARG 89 HH12 ARG 89 -15.097 7.094 -3.777
667 HH21 ARG 89 HH21 ARG 89 -13.087 9.215 -1.845
668 HH22 ARG 89 HH22 ARG 89 -14.492 9.102 -2.858
669 HA PRO 90 HA PRO 90 -6.552 7.633 0.635
670 HB2 PRO 90 HB2 PRO 90 -7.998 9.582 -1.106
671 HB3 PRO 90 HB3 PRO 90 -6.270 9.216 -1.018
672 HG2 PRO 90 HG2 PRO 90 -7.700 8.242 -3.013
673 HG3 PRO 90 HG3 PRO 90 -6.507 7.211 -2.196
674 HD2 PRO 90 HD2 PRO 90 -9.484 7.225 -1.927
675 HD3 PRO 90 HD3 PRO 90 -8.351 5.859 -1.963
676 H GLY 91 HN GLY 91 -6.468 8.706 2.468
677 HA2 GLY 91 HA2 GLY 91 -7.391 10.899 3.468
678 HA3 GLY 91 HA1 GLY 91 -8.900 9.998 3.474
679 H ARG 92 HN ARG 92 -9.145 9.965 5.687
680 HA ARG 92 HA ARG 92 -7.876 7.757 6.958
681 HB2 ARG 92 HB2 ARG 92 -6.231 9.722 7.157
682 HB3 ARG 92 HB3 ARG 92 -7.371 10.379 8.325
683 HG2 ARG 92 HG2 ARG 92 -7.122 8.430 9.726
684 HG3 ARG 92 HG3 ARG 92 -6.071 7.672 8.528
685 HD2 ARG 92 HD2 ARG 92 -4.466 9.525 8.818
686 HD3 ARG 92 HD3 ARG 92 -5.503 10.194 10.077
687 HE ARG 92 HE ARG 92 -4.956 7.556 10.767
688 HH11 ARG 92 HH11 ARG 92 -3.223 10.560 10.336
689 HH12 ARG 92 HH12 ARG 92 -2.008 10.185 11.517
690 HH21 ARG 92 HH21 ARG 92 -3.340 7.032 12.300
691 HH22 ARG 92 HH22 ARG 92 -2.062 8.161 12.619
692 H AAR 93 HN AAR 93 -10.489 8.454 6.330
693 HA AAR 93 HA AAR 93 -11.942 9.395 8.567
694 HB2 AAR 93 HB2 AAR 93 -12.646 7.860 6.086
695 HB3 AAR 93 HB3 AAR 93 -13.843 8.161 7.328
696 HG2 AAR 93 HG2 AAR 93 -13.612 10.536 7.056
697 HG3 AAR 93 HG3 AAR 93 -12.273 10.304 5.932
698 HD2 AAR 93 HD2 AAR 93 -14.371 10.808 4.766
699 HD3 AAR 93 HD3 AAR 93 -13.750 9.211 4.350
700 HE AAR 93 HE AAR 93 -15.538 8.912 6.476
701 HH11 AAR 93 HH21 AAR 93 -17.675 8.193 6.127
702 HH12 AAR 93 HH22 AAR 93 -18.392 8.365 4.557
703 HH21 AAR 93 HH11 AAR 93 -15.562 9.847 3.107
704 HH22 AAR 93 HH12 AAR 93 -17.186 9.308 2.835
705 HNT1 AAR 93 HNT1 AAR 93 -12.647 6.197 7.266
706 HNT2 AAR 93 HNT2 AAR 93 -12.486 5.332 8.768
Start of MODEL 5
1 H PCA 1 HT1 PCA 1 1.389 -0.007 12.393
2 HA PCA 1 HA PCA 1 0.603 -1.417 10.232
3 HB2 PCA 1 HB2 PCA 1 0.055 1.256 9.329
4 HB3 PCA 1 HB3 PCA 1 -0.989 -0.168 9.239
5 HG2 PCA 1 HG2 PCA 1 -1.185 2.054 11.063
6 HG3 PCA 1 HG3 PCA 1 -2.216 0.599 11.001
7 HT2 PCA 1 HT2 PCA 1 0.455 -1.292 12.325
8 H ALA 2 HN ALA 2 1.680 -0.133 8.225
9 HA ALA 2 HA ALA 2 3.632 0.542 7.272
10 HB1 ALA 2 HB1 ALA 2 3.029 2.696 8.275
11 HB2 ALA 2 HB2 ALA 2 4.774 2.459 8.261
12 HB3 ALA 2 HB3 ALA 2 3.871 2.247 9.758
13 H GLN 3 HN GLN 3 3.900 -1.840 8.229
14 HA GLN 3 HA GLN 3 6.626 -2.131 8.929
15 HB2 GLN 3 HB2 GLN 3 4.882 -1.793 11.096
16 HB3 GLN 3 HB3 GLN 3 5.153 -3.528 11.003
17 HG2 GLN 3 HG2 GLN 3 7.347 -1.488 11.060
18 HG3 GLN 3 HG1 GLN 3 6.714 -2.296 12.493
19 HE21 GLN 3 HE21 GLN 3 8.656 -2.612 9.649
20 HE22 GLN 3 HE22 GLN 3 9.306 -4.175 10.017
21 H ALA 4 HN ALA 4 7.303 -4.050 8.148
22 HA ALA 4 HA ALA 4 7.279 -6.011 7.007
23 HB1 ALA 4 HB1 ALA 4 4.992 -6.664 8.864
24 HB2 ALA 4 HB2 ALA 4 6.706 -6.854 9.235
25 HB3 ALA 4 HB3 ALA 4 5.968 -7.822 7.960
26 H LEU 5 HN LEU 5 6.522 -4.673 5.163
27 HA LEU 5 HA LEU 5 3.723 -5.131 4.404
28 HB2 LEU 5 HB2 LEU 5 5.734 -3.376 2.990
29 HB3 LEU 5 HB3 LEU 5 4.000 -3.404 2.757
30 HG LEU 5 HG LEU 5 4.330 -1.456 3.948
31 HD11 LEU 5 HD11 LEU 5 3.805 -3.494 6.099
32 HD12 LEU 5 HD12 LEU 5 2.604 -2.862 4.974
33 HD13 LEU 5 HD13 LEU 5 3.375 -1.784 6.137
34 HD21 LEU 5 HD21 LEU 5 6.264 -2.914 5.738
35 HD22 LEU 5 HD22 LEU 5 5.802 -1.217 5.872
36 HD23 LEU 5 HD23 LEU 5 6.685 -1.778 4.456
37 H LEU 6 HN LEU 6 4.002 -4.924 1.658
38 HA LEU 6 HA LEU 6 4.709 -7.361 0.645
39 HB2 LEU 6 HB2 LEU 6 4.722 -4.614 -0.590
40 HB3 LEU 6 HB3 LEU 6 5.191 -6.028 -1.524
41 HG LEU 6 HG LEU 6 2.895 -5.552 -2.044
42 HD11 LEU 6 HD11 LEU 6 2.942 -7.824 -0.046
43 HD12 LEU 6 HD12 LEU 6 3.532 -7.929 -1.705
44 HD13 LEU 6 HD13 LEU 6 1.825 -7.611 -1.394
45 HD21 LEU 6 HD21 LEU 6 2.392 -4.167 -0.086
46 HD22 LEU 6 HD22 LEU 6 2.386 -5.602 0.938
47 HD23 LEU 6 HD23 LEU 6 1.167 -5.414 -0.323
48 HA PRO 7 HA PRO 7 9.104 -7.877 0.887
49 HB2 PRO 7 HB2 PRO 7 8.536 -9.040 -1.798
50 HB3 PRO 7 HB3 PRO 7 9.472 -9.715 -0.463
51 HG2 PRO 7 HG2 PRO 7 6.986 -10.535 -0.999
52 HG3 PRO 7 HG3 PRO 7 7.602 -10.457 0.652
53 HD2 PRO 7 HD2 PRO 7 5.617 -8.742 -0.711
54 HD3 PRO 7 HD3 PRO 7 5.844 -9.068 1.016
55 H ILE 8 HN ILE 8 10.945 -7.010 -0.080
56 HA ILE 8 HA ILE 8 10.619 -4.541 -1.356
57 HB ILE 8 HB ILE 8 13.196 -5.006 -1.944
58 HG12 ILE 8 HG12 ILE 8 14.201 -6.278 -0.065
59 HG13 ILE 8 HG11 ILE 8 12.591 -6.781 0.429
60 HG21 ILE 8 HG21 ILE 8 12.262 -3.199 -0.595
61 HG22 ILE 8 HG22 ILE 8 13.730 -3.868 0.119
62 HG23 ILE 8 HG23 ILE 8 12.148 -4.292 0.786
63 HD11 ILE 8 HD11 ILE 8 12.318 -7.963 -1.691
64 HD12 ILE 8 HD12 ILE 8 13.728 -8.535 -0.799
65 HD13 ILE 8 HD13 ILE 8 13.935 -7.454 -2.178
66 H ALA 9 HN ALA 9 10.724 -7.675 -2.705
67 HA ALA 9 HA ALA 9 11.598 -6.920 -5.314
68 HB1 ALA 9 HB1 ALA 9 10.801 -9.111 -6.005
69 HB2 ALA 9 HB2 ALA 9 10.004 -9.323 -4.446
70 HB3 ALA 9 HB3 ALA 9 11.763 -9.223 -4.532
71 H SER 10 HN SER 10 8.629 -6.722 -3.578
72 HA SER 10 HA SER 10 6.876 -6.646 -5.832
73 HB2 SER 10 HB2 SER 10 6.118 -7.240 -3.528
74 HB3 SER 10 HB3 SER 10 6.413 -5.575 -3.034
75 HG SER 10 HG SER 10 4.581 -6.443 -5.027
76 H TYR 11 HN TYR 11 8.954 -4.383 -4.278
77 HA TYR 11 HA TYR 11 7.745 -2.198 -5.833
78 HB2 TYR 11 HB2 TYR 11 9.788 -1.677 -3.759
79 HB3 TYR 11 HB3 TYR 11 8.469 -0.660 -4.297
80 HD1 TYR 11 HD1 TYR 11 6.141 -1.165 -3.489
81 HD2 TYR 11 HD2 TYR 11 9.582 -3.094 -1.928
82 HE1 TYR 11 HE1 TYR 11 4.854 -1.823 -1.504
83 HE2 TYR 11 HE2 TYR 11 8.306 -3.765 0.072
84 HH TYR 11 HH TYR 11 6.378 -3.246 1.266
85 H ALA 12 HN ALA 12 9.901 -4.416 -6.400
86 HA ALA 12 HA ALA 12 12.393 -3.214 -6.725
87 HB1 ALA 12 HB1 ALA 12 12.882 -5.004 -8.305
88 HB2 ALA 12 HB2 ALA 12 11.165 -5.392 -8.412
89 HB3 ALA 12 HB3 ALA 12 12.027 -5.623 -6.892
90 H GLY 13 HN GLY 13 12.844 -1.446 -7.809
91 HA2 GLY 13 HA2 GLY 13 13.121 -0.043 -9.625
92 HA3 GLY 13 HA1 GLY 13 12.259 -1.212 -10.612
93 H LEU 14 HN LEU 14 10.966 0.171 -7.669
94 HA LEU 14 HA LEU 14 9.052 1.722 -9.271
95 HB2 LEU 14 HB2 LEU 14 8.356 -0.076 -6.948
96 HB3 LEU 14 HB3 LEU 14 7.232 0.938 -7.830
97 HG LEU 14 HG LEU 14 8.736 -1.416 -8.973
98 HD11 LEU 14 HD11 LEU 14 6.495 -2.449 -9.083
99 HD12 LEU 14 HD12 LEU 14 5.851 -1.084 -8.172
100 HD13 LEU 14 HD13 LEU 14 7.044 -2.151 -7.436
101 HD21 LEU 14 HD21 LEU 14 7.280 -1.098 -10.923
102 HD22 LEU 14 HD22 LEU 14 8.344 0.283 -10.650
103 HD23 LEU 14 HD23 LEU 14 6.642 0.375 -10.194
104 H THR 15 HN THR 15 7.954 3.381 -8.104
105 HA THR 15 HA THR 15 9.518 4.434 -5.857
106 HB THR 15 HB THR 15 7.408 5.941 -7.379
107 HG1 THR 15 HG1 THR 15 9.525 6.708 -8.502
108 HG21 THR 15 HG21 THR 15 8.379 6.876 -5.276
109 HG22 THR 15 HG22 THR 15 8.633 7.883 -6.701
110 HG23 THR 15 HG23 THR 15 9.951 6.896 -6.075
111 H VAL 16 HN VAL 16 8.688 4.041 -3.909
112 HA VAL 16 HA VAL 16 5.857 3.313 -3.695
113 HB VAL 16 HB VAL 16 6.401 2.333 -1.552
114 HG11 VAL 16 HG11 VAL 16 8.324 1.558 -3.733
115 HG12 VAL 16 HG12 VAL 16 6.666 0.986 -3.543
116 HG13 VAL 16 HG13 VAL 16 7.890 0.556 -2.347
117 HG21 VAL 16 HG21 VAL 16 9.221 3.254 -2.070
118 HG22 VAL 16 HG22 VAL 16 8.692 2.230 -0.734
119 HG23 VAL 16 HG23 VAL 16 8.132 3.898 -0.844
120 H SER 17 HN SER 17 4.679 3.993 -1.798
121 HA SER 17 HA SER 17 4.730 6.826 -1.632
122 HB2 SER 17 HB2 SER 17 2.719 5.129 -1.520
123 HB3 SER 17 HB3 SER 17 3.082 5.138 0.202
124 HG SER 17 HG SER 17 2.758 7.539 -1.243
125 H ALA 18 HN ALA 18 5.101 8.114 0.266
126 HA ALA 18 HA ALA 18 7.350 7.515 1.725
127 HB1 ALA 18 HB1 ALA 18 5.096 9.292 2.644
128 HB2 ALA 18 HB2 ALA 18 6.400 9.761 1.557
129 HB3 ALA 18 HB3 ALA 18 6.758 9.322 3.227
130 HA PRO 19 HA PRO 19 4.356 5.945 5.409
131 HB2 PRO 19 HB2 PRO 19 2.437 4.580 3.601
132 HB3 PRO 19 HB3 PRO 19 2.154 5.370 5.156
133 HG2 PRO 19 HG2 PRO 19 1.453 6.511 2.835
134 HG3 PRO 19 HG3 PRO 19 2.021 7.467 4.213
135 HD2 PRO 19 HD2 PRO 19 3.392 6.778 1.684
136 HD3 PRO 19 HD3 PRO 19 3.582 8.199 2.722
137 H VAL 20 HN VAL 20 4.581 4.204 2.312
138 HA VAL 20 HA VAL 20 5.139 1.712 3.674
139 HB VAL 20 HB VAL 20 3.999 0.996 1.884
140 HG11 VAL 20 HG11 VAL 20 3.309 3.196 1.215
141 HG12 VAL 20 HG12 VAL 20 3.697 2.233 -0.211
142 HG13 VAL 20 HG13 VAL 20 4.835 3.450 0.369
143 HG21 VAL 20 HG21 VAL 20 5.318 0.497 -0.169
144 HG22 VAL 20 HG22 VAL 20 6.148 0.044 1.324
145 HG23 VAL 20 HG23 VAL 20 6.614 1.513 0.469
146 H PHE 21 HN PHE 21 6.826 4.187 1.902
147 HA PHE 21 HA PHE 21 9.288 2.923 1.501
148 HB2 PHE 21 HB2 PHE 21 8.541 5.124 0.534
149 HB3 PHE 21 HB3 PHE 21 8.843 5.847 2.109
150 HD1 PHE 21 HD1 PHE 21 11.066 6.235 2.888
151 HD2 PHE 21 HD2 PHE 21 10.359 4.330 -0.837
152 HE1 PHE 21 HE1 PHE 21 13.434 6.539 2.291
153 HE2 PHE 21 HE2 PHE 21 12.721 4.613 -1.442
154 HZ PHE 21 HZ PHE 21 14.263 5.722 0.116
155 H ALA 22 HN ALA 22 8.264 5.105 4.123
156 HA ALA 22 HA ALA 22 10.620 4.837 5.644
157 HB1 ALA 22 HB1 ALA 22 9.326 5.841 7.470
158 HB2 ALA 22 HB2 ALA 22 7.843 5.602 6.543
159 HB3 ALA 22 HB3 ALA 22 9.088 6.700 5.949
160 H ALA 23 HN ALA 23 7.651 2.989 5.511
161 HA ALA 23 HA ALA 23 8.108 1.411 7.836
162 HB1 ALA 23 HB1 ALA 23 5.917 1.771 6.676
163 HB2 ALA 23 HB2 ALA 23 6.304 0.103 7.092
164 HB3 ALA 23 HB3 ALA 23 6.485 0.664 5.425
165 H LEU 24 HN LEU 24 8.767 1.076 4.410
166 HA LEU 24 HA LEU 24 9.866 -1.495 4.385
167 HB2 LEU 24 HB2 LEU 24 9.705 0.823 2.668
168 HB3 LEU 24 HB3 LEU 24 11.245 0.012 2.507
169 HG LEU 24 HG LEU 24 10.292 -1.909 1.612
170 HD11 LEU 24 HD11 LEU 24 7.596 -1.013 2.627
171 HD12 LEU 24 HD12 LEU 24 8.592 -2.281 3.342
172 HD13 LEU 24 HD13 LEU 24 7.936 -2.490 1.722
173 HD21 LEU 24 HD21 LEU 24 8.564 0.399 0.763
174 HD22 LEU 24 HD22 LEU 24 8.782 -1.103 -0.140
175 HD23 LEU 24 HD23 LEU 24 10.149 -0.016 0.113
176 H VAL 25 HN VAL 25 11.507 1.668 4.631
177 HA VAL 25 HA VAL 25 14.088 0.662 5.064
178 HB VAL 25 HB VAL 25 12.878 3.213 6.158
179 HG11 VAL 25 HG11 VAL 25 15.772 2.409 5.874
180 HG12 VAL 25 HG12 VAL 25 14.886 2.582 7.391
181 HG13 VAL 25 HG13 VAL 25 15.188 3.996 6.379
182 HG21 VAL 25 HG21 VAL 25 13.966 4.281 4.246
183 HG22 VAL 25 HG22 VAL 25 12.806 3.059 3.719
184 HG23 VAL 25 HG23 VAL 25 14.535 2.707 3.689
185 H THR 26 HN THR 26 11.354 0.866 7.117
186 HA THR 26 HA THR 26 12.676 0.550 9.612
187 HB THR 26 HB THR 26 9.811 0.019 8.777
188 HG1 THR 26 HG1 THR 26 10.480 2.220 8.765
189 HG21 THR 26 HG21 THR 26 10.985 0.046 11.566
190 HG22 THR 26 HG22 THR 26 10.356 -1.368 10.721
191 HG23 THR 26 HG23 THR 26 9.270 -0.051 11.169
192 H VAL 27 HN VAL 27 11.463 -1.709 7.195
193 HA VAL 27 HA VAL 27 12.201 -3.948 8.947
194 HB VAL 27 HB VAL 27 10.042 -4.452 8.377
195 HG11 VAL 27 HG11 VAL 27 9.637 -2.477 7.014
196 HG12 VAL 27 HG12 VAL 27 8.957 -3.916 6.252
197 HG13 VAL 27 HG13 VAL 27 10.469 -3.232 5.654
198 HG21 VAL 27 HG21 VAL 27 11.476 -6.260 7.526
199 HG22 VAL 27 HG22 VAL 27 11.458 -5.489 5.937
200 HG23 VAL 27 HG23 VAL 27 9.963 -6.115 6.633
201 H TYR 28 HN TYR 28 12.428 -2.918 5.561
202 HA TYR 28 HA TYR 28 14.410 -4.943 4.956
203 HB2 TYR 28 HB2 TYR 28 13.221 -2.770 3.225
204 HB3 TYR 28 HB3 TYR 28 14.167 -4.140 2.659
205 HD1 TYR 28 HD1 TYR 28 13.222 -6.498 3.194
206 HD2 TYR 28 HD2 TYR 28 10.927 -2.929 3.349
207 HE1 TYR 28 HE1 TYR 28 11.159 -7.820 3.016
208 HE2 TYR 28 HE2 TYR 28 8.862 -4.237 3.170
209 HH TYR 28 HH TYR 28 8.142 -6.426 2.328
210 H GLY 29 HN GLY 29 14.218 -1.568 5.670
211 HA2 GLY 29 HA2 GLY 29 15.975 -0.183 6.314
212 HA3 GLY 29 HA1 GLY 29 17.110 -1.393 5.733
213 H ALA 30 HN ALA 30 17.589 1.218 5.176
214 HA ALA 30 HA ALA 30 16.575 2.030 2.650
215 HB1 ALA 30 HB1 ALA 30 19.111 2.826 4.080
216 HB2 ALA 30 HB2 ALA 30 17.549 3.640 4.177
217 HB3 ALA 30 HB3 ALA 30 18.447 3.633 2.660
218 H TYR 31 HN TYR 31 19.127 -0.049 3.711
219 HA TYR 31 HA TYR 31 20.708 -0.321 1.463
220 HB2 TYR 31 HB2 TYR 31 21.017 -1.307 3.778
221 HB3 TYR 31 HB3 TYR 31 19.868 -2.552 3.312
222 HD1 TYR 31 HD1 TYR 31 22.773 -0.957 1.634
223 HD2 TYR 31 HD2 TYR 31 20.929 -4.549 2.933
224 HE1 TYR 31 HE1 TYR 31 24.640 -2.250 0.678
225 HE2 TYR 31 HE2 TYR 31 22.783 -5.862 1.981
226 HH TYR 31 HH TYR 31 25.701 -4.404 0.930
227 H ALA 32 HN ALA 32 18.007 -2.461 2.388
228 HA ALA 32 HA ALA 32 17.940 -3.896 0.007
229 HB1 ALA 32 HB1 ALA 32 15.653 -3.304 1.870
230 HB2 ALA 32 HB2 ALA 32 16.815 -4.615 2.053
231 HB3 ALA 32 HB3 ALA 32 15.711 -4.603 0.678
232 H LEU 33 HN LEU 33 16.130 -0.988 0.971
233 HA LEU 33 HA LEU 33 14.528 -0.903 -1.321
234 HB2 LEU 33 HB2 LEU 33 15.145 0.874 0.935
235 HB3 LEU 33 HB3 LEU 33 14.692 1.725 -0.534
236 HG LEU 33 HG LEU 33 12.592 0.492 -0.618
237 HD11 LEU 33 HD11 LEU 33 13.485 -1.577 0.465
238 HD12 LEU 33 HD12 LEU 33 11.927 -1.031 1.078
239 HD13 LEU 33 HD13 LEU 33 13.393 -0.735 2.012
240 HD21 LEU 33 HD21 LEU 33 11.543 1.524 1.283
241 HD22 LEU 33 HD22 LEU 33 12.785 2.601 0.643
242 HD23 LEU 33 HD23 LEU 33 13.097 1.661 2.103
243 H TYR 34 HN TYR 34 17.731 0.405 -0.687
244 HA TYR 34 HA TYR 34 17.867 1.955 -3.089
245 HB2 TYR 34 HB2 TYR 34 19.363 2.667 -1.442
246 HB3 TYR 34 HB3 TYR 34 19.820 1.027 -1.004
247 HD1 TYR 34 HD1 TYR 34 21.639 -0.064 -2.051
248 HD2 TYR 34 HD2 TYR 34 20.298 3.706 -3.500
249 HE1 TYR 34 HE1 TYR 34 23.667 0.121 -3.432
250 HE2 TYR 34 HE2 TYR 34 22.321 3.898 -4.887
251 HH TYR 34 HH TYR 34 24.661 2.983 -4.864
252 H ARG 35 HN ARG 35 18.472 -1.297 -2.147
253 HA ARG 35 HA ARG 35 20.117 -2.053 -4.345
254 HB2 ARG 35 HB2 ARG 35 18.710 -3.422 -2.102
255 HB3 ARG 35 HB3 ARG 35 19.365 -4.390 -3.422
256 HG2 ARG 35 HG2 ARG 35 21.533 -3.800 -2.932
257 HG3 ARG 35 HG3 ARG 35 21.059 -2.357 -2.051
258 HD2 ARG 35 HD2 ARG 35 21.891 -4.411 -0.727
259 HD3 ARG 35 HD3 ARG 35 20.473 -3.538 -0.160
260 HE ARG 35 HE ARG 35 19.169 -5.358 -0.653
261 HH11 ARG 35 HH11 ARG 35 22.402 -5.850 -1.893
262 HH12 ARG 35 HH12 ARG 35 22.161 -7.534 -2.217
263 HH21 ARG 35 HH21 ARG 35 18.852 -7.584 -1.058
264 HH22 ARG 35 HH22 ARG 35 20.140 -8.525 -1.740
265 H TYR 36 HN TYR 36 16.689 -2.171 -3.659
266 HA TYR 36 HA TYR 36 16.221 -3.638 -6.148
267 HB2 TYR 36 HB2 TYR 36 14.440 -3.034 -3.794
268 HB3 TYR 36 HB3 TYR 36 13.859 -3.794 -5.277
269 HD1 TYR 36 HD1 TYR 36 14.079 -6.094 -5.579
270 HD2 TYR 36 HD2 TYR 36 16.364 -4.150 -2.585
271 HE1 TYR 36 HE1 TYR 36 14.874 -8.281 -4.777
272 HE2 TYR 36 HE2 TYR 36 17.178 -6.298 -1.764
273 HH TYR 36 HH TYR 36 16.726 -9.219 -3.533
274 H ASN 37 HN ASN 37 16.860 -0.672 -5.688
275 HA ASN 37 HA ASN 37 16.362 1.314 -6.659
276 HB2 ASN 37 HB2 ASN 37 16.619 -0.159 -8.671
277 HB3 ASN 37 HB3 ASN 37 14.877 -0.380 -8.677
278 HD21 ASN 37 HD21 ASN 37 14.830 0.490 -10.766
279 HD22 ASN 37 HD22 ASN 37 14.944 2.199 -11.032
280 H ILE 38 HN ILE 38 14.734 0.557 -4.568
281 HA ILE 38 HA ILE 38 12.022 1.315 -5.289
282 HB ILE 38 HB ILE 38 13.225 0.622 -2.601
283 HG12 ILE 38 HG12 ILE 38 11.483 -1.028 -4.445
284 HG13 ILE 38 HG11 ILE 38 13.210 -1.248 -4.235
285 HG21 ILE 38 HG21 ILE 38 10.875 0.381 -1.886
286 HG22 ILE 38 HG22 ILE 38 10.362 1.015 -3.451
287 HG23 ILE 38 HG23 ILE 38 11.284 2.034 -2.346
288 HD11 ILE 38 HD11 ILE 38 11.920 -2.875 -2.976
289 HD12 ILE 38 HD12 ILE 38 11.153 -1.565 -2.077
290 HD13 ILE 38 HD13 ILE 38 12.886 -1.845 -1.923
291 H ARG 39 HN ARG 39 11.504 3.358 -5.407
292 HA ARG 39 HA ARG 39 13.122 5.355 -3.966
293 HB2 ARG 39 HB2 ARG 39 11.295 5.669 -6.355
294 HB3 ARG 39 HB3 ARG 39 12.115 6.999 -5.557
295 HG2 ARG 39 HG2 ARG 39 13.494 6.633 -7.321
296 HG3 ARG 39 HG3 ARG 39 14.254 5.591 -6.116
297 HD2 ARG 39 HD2 ARG 39 14.039 4.468 -8.282
298 HD3 ARG 39 HD3 ARG 39 13.092 3.661 -7.032
299 HE ARG 39 HE ARG 39 11.324 5.381 -8.195
300 HH11 ARG 39 HH11 ARG 39 13.420 2.860 -9.403
301 HH12 ARG 39 HH12 ARG 39 12.362 2.438 -10.713
302 HH21 ARG 39 HH21 ARG 39 9.919 4.811 -9.896
303 HH22 ARG 39 HH22 ARG 39 10.371 3.538 -10.991
304 H ARG 40 HN ARG 40 11.667 7.452 -3.610
305 HA ARG 40 HA ARG 40 9.234 6.546 -2.210
306 HB2 ARG 40 HB2 ARG 40 11.153 7.290 -0.759
307 HB3 ARG 40 HB3 ARG 40 10.964 8.893 -1.455
308 HG2 ARG 40 HG2 ARG 40 8.647 8.949 -0.605
309 HG3 ARG 40 HG3 ARG 40 8.936 7.393 0.180
310 HD2 ARG 40 HD2 ARG 40 9.272 9.125 1.801
311 HD3 ARG 40 HD3 ARG 40 10.838 8.431 1.394
312 HE ARG 40 HE ARG 40 10.075 10.777 -0.120
313 HH11 ARG 40 HH11 ARG 40 11.735 9.550 2.697
314 HH12 ARG 40 HH12 ARG 40 12.815 10.902 2.819
315 HH21 ARG 40 HH21 ARG 40 11.496 12.574 0.020
316 HH22 ARG 40 HH22 ARG 40 12.675 12.632 1.292
317 H ARG 41 HN ARG 41 7.388 7.549 -2.653
318 HA ARG 41 HA ARG 41 7.482 10.049 -4.211
319 HB2 ARG 41 HB2 ARG 41 5.646 9.333 -5.594
320 HB3 ARG 41 HB3 ARG 41 6.899 8.109 -5.666
321 HG2 ARG 41 HG2 ARG 41 5.675 6.629 -4.306
322 HG3 ARG 41 HG3 ARG 41 4.543 7.895 -3.821
323 HD2 ARG 41 HD2 ARG 41 3.510 6.437 -5.455
324 HD3 ARG 41 HD3 ARG 41 3.745 8.045 -6.138
325 HE ARG 41 HE ARG 41 5.690 5.915 -6.684
326 HH11 ARG 41 HH11 ARG 41 3.293 8.191 -7.835
327 HH12 ARG 41 HH12 ARG 41 3.669 7.937 -9.507
328 HH21 ARG 41 HH21 ARG 41 6.188 5.583 -8.912
329 HH22 ARG 41 HH22 ARG 41 5.314 6.473 -10.118
330 H GLU 42 HN GLU 42 4.983 10.770 -4.394
331 HA GLU 42 HA GLU 42 4.212 11.709 -1.857
332 HB2 GLU 42 HB2 GLU 42 2.192 12.506 -3.005
333 HB3 GLU 42 HB3 GLU 42 3.642 12.868 -3.931
334 HG2 GLU 42 HG2 GLU 42 3.201 10.925 -5.358
335 HG3 GLU 42 HG3 GLU 42 1.729 10.604 -4.445
336 H ASN 43 HN ASN 43 1.865 11.414 -1.087
337 HA ASN 43 HA ASN 43 1.094 8.604 -1.277
338 HB2 ASN 43 HB2 ASN 43 0.620 8.620 1.177
339 HB3 ASN 43 HB3 ASN 43 2.315 8.682 0.734
340 HD21 ASN 43 HD21 ASN 43 -0.018 11.369 0.822
341 HD22 ASN 43 HD22 ASN 43 0.822 12.260 2.042
342 H SER 44 HN SER 44 -0.058 10.700 -2.642
343 HA SER 44 HA SER 44 -2.440 11.575 -1.338
344 HB2 SER 44 HB2 SER 44 -1.920 11.530 -4.308
345 HB3 SER 44 HB3 SER 44 -2.916 12.650 -3.391
346 HG SER 44 HG SER 44 -0.337 12.861 -4.021
347 H TYR 45 HN TYR 45 -1.518 8.621 -2.532
348 HA TYR 45 HA TYR 45 -4.202 7.606 -2.716
349 HB2 TYR 45 HB2 TYR 45 -4.130 6.924 -5.009
350 HB3 TYR 45 HB3 TYR 45 -3.687 8.631 -4.976
351 HD1 TYR 45 HD1 TYR 45 -1.109 9.102 -4.777
352 HD2 TYR 45 HD2 TYR 45 -2.793 5.454 -6.195
353 HE1 TYR 45 HE1 TYR 45 1.005 8.584 -5.890
354 HE2 TYR 45 HE2 TYR 45 -0.680 4.937 -7.343
355 HH TYR 45 HH TYR 45 1.288 6.139 -8.225
356 H GLN 46 HN GLN 46 -3.934 5.240 -3.750
357 HA GLN 46 HA GLN 46 -1.902 3.884 -2.141
358 HB2 GLN 46 HB2 GLN 46 -4.557 3.133 -3.302
359 HB3 GLN 46 HB3 GLN 46 -3.409 1.868 -2.879
360 HG2 GLN 46 HG2 GLN 46 -5.039 2.283 -1.116
361 HG3 GLN 46 HG1 GLN 46 -3.392 2.616 -0.587
362 HE21 GLN 46 HE21 GLN 46 -2.825 4.672 -0.041
363 HE22 GLN 46 HE22 GLN 46 -3.955 5.971 0.079
364 H ARG 47 HN ARG 47 -0.066 3.418 -3.240
365 HA ARG 47 HA ARG 47 -0.333 2.604 -6.021
366 HB2 ARG 47 HB2 ARG 47 2.138 3.003 -6.156
367 HB3 ARG 47 HB3 ARG 47 1.183 4.436 -5.849
368 HG2 ARG 47 HG2 ARG 47 3.066 4.623 -4.465
369 HG3 ARG 47 HG3 ARG 47 1.761 4.117 -3.394
370 HD2 ARG 47 HD2 ARG 47 3.832 2.907 -2.918
371 HD3 ARG 47 HD3 ARG 47 2.569 1.817 -3.483
372 HE ARG 47 HE ARG 47 4.427 2.791 -5.505
373 HH11 ARG 47 HH11 ARG 47 3.556 0.207 -3.302
374 HH12 ARG 47 HH12 ARG 47 4.453 -1.003 -4.156
375 HH21 ARG 47 HH21 ARG 47 5.615 1.205 -6.623
376 HH22 ARG 47 HH22 ARG 47 5.644 -0.427 -6.037
377 H ILE 48 HN ILE 48 -0.821 1.001 -3.640
378 HA ILE 48 HA ILE 48 1.358 -0.927 -3.562
379 HB ILE 48 HB ILE 48 -1.327 -1.000 -2.153
380 HG12 ILE 48 HG12 ILE 48 0.304 -0.622 -0.121
381 HG13 ILE 48 HG11 ILE 48 1.358 0.069 -1.348
382 HG21 ILE 48 HG21 ILE 48 1.128 -2.700 -1.757
383 HG22 ILE 48 HG22 ILE 48 -0.408 -3.222 -2.450
384 HG23 ILE 48 HG23 ILE 48 -0.321 -2.744 -0.754
385 HD11 ILE 48 HD11 ILE 48 -0.376 1.690 -1.925
386 HD12 ILE 48 HD12 ILE 48 0.067 1.787 -0.221
387 HD13 ILE 48 HD13 ILE 48 -1.434 0.993 -0.697
388 H ARG 49 HN ARG 49 1.376 -2.830 -4.732
389 HA ARG 49 HA ARG 49 -1.166 -3.669 -5.882
390 HB2 ARG 49 HB2 ARG 49 1.382 -3.259 -7.416
391 HB3 ARG 49 HB3 ARG 49 0.120 -4.333 -7.997
392 HG2 ARG 49 HG2 ARG 49 -0.523 -2.470 -9.093
393 HG3 ARG 49 HG3 ARG 49 -1.356 -2.147 -7.573
394 HD2 ARG 49 HD2 ARG 49 -0.192 -0.163 -8.273
395 HD3 ARG 49 HD3 ARG 49 0.596 -0.816 -6.837
396 HE ARG 49 HE ARG 49 1.998 -1.916 -8.882
397 HH11 ARG 49 HH11 ARG 49 1.110 1.371 -8.091
398 HH12 ARG 49 HH12 ARG 49 2.527 2.063 -8.807
399 HH21 ARG 49 HH21 ARG 49 3.862 -1.010 -9.842
400 HH22 ARG 49 HH22 ARG 49 4.092 0.710 -9.813
401 H SER 50 HN SER 50 -0.451 -4.888 -3.741
402 HA SER 50 HA SER 50 -0.664 -7.537 -4.417
403 HB2 SER 50 HB2 SER 50 1.745 -7.250 -5.184
404 HB3 SER 50 HB3 SER 50 2.171 -7.000 -3.493
405 HG SER 50 HG SER 50 1.241 -9.317 -4.785
406 H ASP 51 HN ASP 51 -0.297 -8.979 -2.468
407 HA ASP 51 HA ASP 51 0.371 -8.197 0.076
408 HB2 ASP 51 HB2 ASP 51 -1.549 -6.576 -0.135
409 HB3 ASP 51 HB3 ASP 51 -2.621 -7.960 -0.272
410 H HIS 52 HN HIS 52 -2.665 -9.650 -0.947
411 HA HIS 52 HA HIS 52 -1.724 -12.333 -0.729
412 HB2 HIS 52 HB2 HIS 52 -2.055 -11.299 1.715
413 HB3 HIS 52 HB3 HIS 52 -3.725 -11.751 1.399
414 HD1 HIS 52 HD1 HIS 52 -4.325 -14.196 1.621
415 HD2 HIS 52 HD2 HIS 52 -0.231 -13.461 1.717
416 HE1 HIS 52 HE1 HIS 52 -3.261 -16.386 2.278
417 HE2 HIS 52 HE2 HIS 52 -0.797 -15.873 2.485
418 H ASP 53 HN ASP 53 -4.776 -10.856 0.261
419 HA ASP 53 HA ASP 53 -6.080 -12.093 -2.076
420 HB2 ASP 53 HB2 ASP 53 -7.274 -11.215 0.572
421 HB3 ASP 53 HB3 ASP 53 -8.184 -11.888 -0.777
422 H SER 54 HN SER 54 -4.560 -9.700 -2.093
423 HA SER 54 HA SER 54 -6.265 -7.426 -1.818
424 HB2 SER 54 HB2 SER 54 -4.164 -6.358 -2.939
425 HB3 SER 54 HB3 SER 54 -4.051 -6.983 -1.293
426 HG SER 54 HG SER 54 -3.272 -8.324 -3.680
427 H HIS 55 HN HIS 55 -6.716 -5.915 -3.484
428 HA HIS 55 HA HIS 55 -6.321 -6.443 -6.210
429 HB2 HIS 55 HB2 HIS 55 -8.703 -6.827 -6.893
430 HB3 HIS 55 HB3 HIS 55 -7.932 -8.192 -6.114
431 HD1 HIS 55 HD1 HIS 55 -11.003 -6.393 -6.123
432 HD2 HIS 55 HD2 HIS 55 -8.698 -8.252 -3.207
433 HE1 HIS 55 HE1 HIS 55 -12.567 -6.835 -4.212
434 HE2 HIS 55 HE2 HIS 55 -11.202 -8.176 -2.564
435 H SER 56 HN SER 56 -7.874 -5.034 -7.566
436 HA SER 56 HA SER 56 -7.725 -2.411 -6.334
437 HB2 SER 56 HB2 SER 56 -8.398 -1.748 -8.767
438 HB3 SER 56 HB3 SER 56 -6.781 -2.384 -8.466
439 HG SER 56 HG SER 56 -7.294 -4.231 -9.444
440 H CYS 57 HN CYS 57 -9.421 -1.169 -5.762
441 HA CYS 57 HA CYS 57 -12.119 -1.998 -6.585
442 HB2 CYS 57 HB2 CYS 57 -12.923 -1.492 -4.296
443 HB3 CYS 57 HB3 CYS 57 -11.824 -2.867 -4.339
444 H ALA 58 HN ALA 58 -13.723 -0.198 -5.914
445 HA ALA 58 HA ALA 58 -14.478 1.922 -6.195
446 HB1 ALA 58 HB1 ALA 58 -13.174 2.375 -4.176
447 HB2 ALA 58 HB2 ALA 58 -13.117 3.754 -5.276
448 HB3 ALA 58 HB3 ALA 58 -11.737 2.664 -5.158
449 H ASN 59 HN ASN 59 -13.480 0.614 -8.431
450 HA ASN 59 HA ASN 59 -12.865 0.900 -10.593
451 HB2 ASN 59 HB2 ASN 59 -14.408 2.923 -10.339
452 HB3 ASN 59 HB3 ASN 59 -12.952 3.887 -10.127
453 HD21 ASN 59 HD21 ASN 59 -14.794 1.927 -12.346
454 HD22 ASN 59 HD22 ASN 59 -14.037 2.502 -13.789
455 H ASN 60 HN ASN 60 -10.948 0.475 -8.685
456 HA ASN 60 HA ASN 60 -8.745 0.543 -8.202
457 HB2 ASN 60 HB2 ASN 60 -8.679 -0.228 -10.575
458 HB3 ASN 60 HB3 ASN 60 -8.436 1.440 -11.071
459 HD21 ASN 60 HD21 ASN 60 -6.967 0.250 -8.129
460 HD22 ASN 60 HD22 ASN 60 -5.349 0.214 -8.738
461 H ARG 61 HN ARG 61 -10.138 2.814 -7.438
462 HA ARG 61 HA ARG 61 -8.080 4.891 -7.709
463 HB2 ARG 61 HB2 ARG 61 -10.876 4.968 -6.570
464 HB3 ARG 61 HB3 ARG 61 -9.732 6.290 -6.383
465 HG2 ARG 61 HG2 ARG 61 -9.604 6.540 -8.802
466 HG3 ARG 61 HG3 ARG 61 -10.725 5.193 -9.006
467 HD2 ARG 61 HD2 ARG 61 -11.352 7.752 -7.542
468 HD3 ARG 61 HD3 ARG 61 -11.807 7.409 -9.210
469 HE ARG 61 HE ARG 61 -12.762 5.325 -7.623
470 HH11 ARG 61 HH11 ARG 61 -13.304 8.756 -8.074
471 HH12 ARG 61 HH12 ARG 61 -14.966 8.690 -7.584
472 HH21 ARG 61 HH21 ARG 61 -14.958 5.235 -6.973
473 HH22 ARG 61 HH22 ARG 61 -15.909 6.685 -6.959
474 H GLY 62 HN GLY 62 -9.066 2.343 -5.797
475 HA2 GLY 62 HA2 GLY 62 -7.090 3.076 -3.775
476 HA3 GLY 62 HA1 GLY 62 -8.712 2.666 -3.221
477 H TRP 63 HN TRP 63 -6.131 1.308 -2.782
478 HA TRP 63 HA TRP 63 -6.578 -1.229 -4.177
479 HB2 TRP 63 HB2 TRP 63 -4.279 -0.276 -4.063
480 HB3 TRP 63 HB3 TRP 63 -4.321 -0.464 -2.314
481 HD1 TRP 63 HD1 TRP 63 -3.562 -2.739 -1.373
482 HE1 TRP 63 HE1 TRP 63 -2.913 -5.004 -2.394
483 HE3 TRP 63 HE3 TRP 63 -4.942 -1.856 -6.207
484 HZ2 TRP 63 HZ2 TRP 63 -2.974 -6.252 -4.937
485 HZ3 TRP 63 HZ3 TRP 63 -4.614 -3.624 -7.868
486 HH2 TRP 63 HH2 TRP 63 -3.650 -5.782 -7.253
487 H CYS 64 HN CYS 64 -7.351 -3.025 -3.219
488 HA CYS 64 HA CYS 64 -8.476 -2.888 -0.591
489 HB2 CYS 64 HB2 CYS 64 -8.165 -5.169 -2.538
490 HB3 CYS 64 HB3 CYS 64 -8.994 -5.315 -0.997
491 H ARG 65 HN ARG 65 -7.447 -3.206 1.237
492 HA ARG 65 HA ARG 65 -5.159 -5.054 1.313
493 HB2 ARG 65 HB2 ARG 65 -5.345 -2.284 2.497
494 HB3 ARG 65 HB3 ARG 65 -4.138 -3.456 2.994
495 HG2 ARG 65 HG2 ARG 65 -3.349 -3.541 0.634
496 HG3 ARG 65 HG3 ARG 65 -4.456 -2.208 0.283
497 HD2 ARG 65 HD2 ARG 65 -2.033 -1.595 0.809
498 HD3 ARG 65 HD3 ARG 65 -3.292 -0.726 1.688
499 HE ARG 65 HE ARG 65 -2.605 -1.720 3.636
500 HH11 ARG 65 HH11 ARG 65 -1.040 -3.309 0.933
501 HH12 ARG 65 HH12 ARG 65 0.017 -4.250 1.932
502 HH21 ARG 65 HH21 ARG 65 -1.192 -2.954 4.947
503 HH22 ARG 65 HH22 ARG 65 -0.059 -4.035 4.206
504 HA PRO 66 HA PRO 66 -7.071 -6.444 5.124
505 HB2 PRO 66 HB2 PRO 66 -4.594 -6.949 6.476
506 HB3 PRO 66 HB3 PRO 66 -5.659 -8.110 5.687
507 HG2 PRO 66 HG2 PRO 66 -3.126 -7.415 4.816
508 HG3 PRO 66 HG3 PRO 66 -4.375 -8.183 3.827
509 HD2 PRO 66 HD2 PRO 66 -3.498 -5.343 3.905
510 HD3 PRO 66 HD3 PRO 66 -4.123 -6.300 2.548
511 H THR 67 HN THR 67 -4.507 -4.085 5.206
512 HA THR 67 HA THR 67 -5.789 -2.719 7.447
513 HB THR 67 HB THR 67 -2.799 -2.975 7.400
514 HG1 THR 67 HG1 THR 67 -4.668 -4.698 8.704
515 HG21 THR 67 HG21 THR 67 -4.764 -2.389 9.612
516 HG22 THR 67 HG22 THR 67 -3.786 -1.195 8.758
517 HG23 THR 67 HG23 THR 67 -3.008 -2.413 9.770
518 H CYS 68 HN CYS 68 -5.612 -0.528 7.329
519 HA CYS 68 HA CYS 68 -4.575 0.515 4.789
520 HB2 CYS 68 HB2 CYS 68 -6.647 1.626 6.684
521 HB3 CYS 68 HB3 CYS 68 -6.164 2.379 5.176
522 H PHE 69 HN PHE 69 -3.136 2.102 4.668
523 HA PHE 69 HA PHE 69 -1.679 2.854 7.066
524 HB2 PHE 69 HB2 PHE 69 -1.208 3.664 4.187
525 HB3 PHE 69 HB3 PHE 69 -0.107 3.933 5.532
526 HD1 PHE 69 HD1 PHE 69 -0.860 1.868 2.833
527 HD2 PHE 69 HD2 PHE 69 0.556 1.756 6.839
528 HE1 PHE 69 HE1 PHE 69 0.190 -0.306 2.396
529 HE2 PHE 69 HE2 PHE 69 1.609 -0.410 6.414
530 HZ PHE 69 HZ PHE 69 1.426 -1.451 4.185
531 H SER 70 HN SER 70 -0.912 5.211 7.127
532 HA SER 70 HA SER 70 -3.278 6.867 7.282
533 HB2 SER 70 HB2 SER 70 -0.397 7.474 7.974
534 HB3 SER 70 HB3 SER 70 -1.784 8.491 8.370
535 HG SER 70 HG SER 70 -0.823 6.440 9.745
536 H HIS 71 HN HIS 71 -3.907 7.256 5.224
537 HA HIS 71 HA HIS 71 -3.342 9.289 3.660
538 HB2 HIS 71 HB2 HIS 71 -1.689 8.835 2.016
539 HB3 HIS 71 HB3 HIS 71 -0.918 8.428 3.540
540 HD1 HIS 71 HD1 HIS 71 -0.286 7.302 0.573
541 HD2 HIS 71 HD2 HIS 71 -2.236 5.336 3.656
542 HE1 HIS 71 HE1 HIS 71 0.031 4.855 0.111
543 HE2 HIS 71 HE2 HIS 71 -1.452 3.717 1.810
544 H GLU 72 HN GLU 72 -4.233 6.166 4.223
545 HA GLU 72 HA GLU 72 -6.326 6.356 2.188
546 HB2 GLU 72 HB2 GLU 72 -6.275 3.853 2.050
547 HB3 GLU 72 HB3 GLU 72 -4.837 4.635 1.380
548 HG2 GLU 72 HG2 GLU 72 -3.838 4.258 3.728
549 HG3 GLU 72 HG3 GLU 72 -5.134 3.095 3.915
550 H TYR 73 HN TYR 73 -8.206 4.885 2.892
551 HA TYR 73 HA TYR 73 -8.343 4.455 5.765
552 HB2 TYR 73 HB2 TYR 73 -10.496 5.692 5.947
553 HB3 TYR 73 HB3 TYR 73 -9.127 6.740 5.594
554 HD1 TYR 73 HD1 TYR 73 -12.032 5.032 4.022
555 HD2 TYR 73 HD2 TYR 73 -9.131 8.136 3.729
556 HE1 TYR 73 HE1 TYR 73 -13.218 5.927 2.066
557 HE2 TYR 73 HE2 TYR 73 -10.309 9.037 1.762
558 HH TYR 73 HH TYR 73 -11.868 8.275 0.015
559 H THR 74 HN THR 74 -10.463 3.447 6.347
560 HA THR 74 HA THR 74 -10.927 1.227 4.592
561 HB THR 74 HB THR 74 -12.260 1.959 7.207
562 HG1 THR 74 HG1 THR 74 -9.938 1.576 7.279
563 HG21 THR 74 HG21 THR 74 -13.150 -0.202 7.289
564 HG22 THR 74 HG22 THR 74 -12.073 -0.793 6.032
565 HG23 THR 74 HG23 THR 74 -13.409 0.284 5.611
566 H ASP 75 HN ASP 75 -11.983 1.982 2.760
567 HA ASP 75 HA ASP 75 -14.524 3.339 3.035
568 HB2 ASP 75 HB2 ASP 75 -13.124 3.732 1.038
569 HB3 ASP 75 HB3 ASP 75 -13.271 2.034 0.604
570 H TRP 76 HN TRP 76 -16.226 2.305 3.733
571 HA TRP 76 HA TRP 76 -16.267 -0.554 3.904
572 HB2 TRP 76 HB2 TRP 76 -18.159 1.598 4.822
573 HB3 TRP 76 HB3 TRP 76 -18.496 -0.118 5.035
574 HD1 TRP 76 HD1 TRP 76 -16.420 2.707 6.462
575 HE1 TRP 76 HE1 TRP 76 -15.174 1.870 8.554
576 HE3 TRP 76 HE3 TRP 76 -17.385 -2.283 6.024
577 HZ2 TRP 76 HZ2 TRP 76 -14.665 -0.592 9.840
578 HZ3 TRP 76 HZ3 TRP 76 -16.479 -3.813 7.712
579 HH2 TRP 76 HH2 TRP 76 -15.145 -2.988 9.585
580 H PHE 77 HN PHE 77 -17.498 1.726 1.658
581 HA PHE 77 HA PHE 77 -19.670 0.181 0.654
582 HB2 PHE 77 HB2 PHE 77 -19.544 2.545 0.153
583 HB3 PHE 77 HB3 PHE 77 -17.975 2.341 -0.619
584 HD1 PHE 77 HD1 PHE 77 -17.864 2.086 -2.910
585 HD2 PHE 77 HD2 PHE 77 -21.503 1.211 -0.895
586 HE1 PHE 77 HE1 PHE 77 -18.973 1.747 -5.076
587 HE2 PHE 77 HE2 PHE 77 -22.624 0.869 -3.061
588 HZ PHE 77 HZ PHE 77 -21.358 1.138 -5.155
589 H ASN 78 HN ASN 78 -16.394 0.753 -0.580
590 HA ASN 78 HA ASN 78 -16.592 -1.432 -2.430
591 HB2 ASN 78 HB2 ASN 78 -14.242 0.266 -1.592
592 HB3 ASN 78 HB3 ASN 78 -14.199 -0.930 -2.881
593 HD21 ASN 78 HD21 ASN 78 -15.371 2.186 -1.881
594 HD22 ASN 78 HD22 ASN 78 -15.878 2.710 -3.458
595 H ASN 79 HN ASN 79 -15.848 -1.148 0.864
596 HA ASN 79 HA ASN 79 -14.187 -3.367 1.281
597 HB2 ASN 79 HB2 ASN 79 -14.969 -1.679 2.997
598 HB3 ASN 79 HB3 ASN 79 -16.513 -2.515 3.021
599 HD21 ASN 79 HD21 ASN 79 -14.482 -2.039 5.083
600 HD22 ASN 79 HD22 ASN 79 -14.099 -3.595 5.726
601 H ASP 80 HN ASP 80 -17.645 -3.063 0.725
602 HA ASP 80 HA ASP 80 -18.359 -5.762 1.090
603 HB2 ASP 80 HB2 ASP 80 -20.021 -3.956 0.978
604 HB3 ASP 80 HB3 ASP 80 -19.617 -3.681 -0.713
605 H VAL 81 HN VAL 81 -17.217 -3.968 -1.767
606 HA VAL 81 HA VAL 81 -17.528 -6.209 -3.517
607 HB VAL 81 HB VAL 81 -16.569 -4.966 -5.212
608 HG11 VAL 81 HG11 VAL 81 -17.737 -2.962 -3.306
609 HG12 VAL 81 HG12 VAL 81 -18.603 -3.918 -4.510
610 HG13 VAL 81 HG13 VAL 81 -17.460 -2.676 -5.024
611 HG21 VAL 81 HG21 VAL 81 -15.132 -3.251 -3.200
612 HG22 VAL 81 HG22 VAL 81 -15.069 -3.062 -4.954
613 HG23 VAL 81 HG23 VAL 81 -14.407 -4.511 -4.196
614 H CYS 82 HN CYS 82 -15.149 -5.293 -1.239
615 HA CYS 82 HA CYS 82 -13.079 -6.981 -2.348
616 HB2 CYS 82 HB2 CYS 82 -13.229 -5.467 0.262
617 HB3 CYS 82 HB3 CYS 82 -11.821 -6.366 -0.293
618 H GLY 83 HN GLY 83 -15.504 -7.147 0.172
619 HA2 GLY 83 HA2 GLY 83 -16.432 -9.084 1.060
620 HA3 GLY 83 HA1 GLY 83 -15.183 -10.023 0.256
621 H SER 84 HN SER 84 -13.091 -10.157 1.241
622 HA SER 84 HA SER 84 -13.280 -10.248 4.127
623 HB2 SER 84 HB2 SER 84 -12.218 -12.089 2.819
624 HB3 SER 84 HB3 SER 84 -10.944 -10.971 2.337
625 HG SER 84 HG SER 84 -11.231 -12.368 4.640
626 H TYR 85 HN TYR 85 -11.256 -8.627 1.705
627 HA TYR 85 HA TYR 85 -9.828 -7.095 3.656
628 HB2 TYR 85 HB2 TYR 85 -9.936 -7.146 0.668
629 HB3 TYR 85 HB3 TYR 85 -9.168 -5.789 1.495
630 HD1 TYR 85 HD1 TYR 85 -7.280 -6.802 -0.033
631 HD2 TYR 85 HD2 TYR 85 -8.778 -8.646 3.486
632 HE1 TYR 85 HE1 TYR 85 -5.207 -8.086 0.170
633 HE2 TYR 85 HE2 TYR 85 -6.707 -9.923 3.709
634 HH TYR 85 HH TYR 85 -3.908 -9.235 2.029
635 H ARG 86 HN ARG 86 -9.684 -4.761 3.524
636 HA ARG 86 HA ARG 86 -12.314 -3.520 3.123
637 HB2 ARG 86 HB2 ARG 86 -11.503 -1.761 4.649
638 HB3 ARG 86 HB3 ARG 86 -11.523 -3.337 5.420
639 HG2 ARG 86 HG2 ARG 86 -8.973 -3.241 4.496
640 HG3 ARG 86 HG3 ARG 86 -9.283 -1.539 4.831
641 HD2 ARG 86 HD2 ARG 86 -9.685 -3.812 6.764
642 HD3 ARG 86 HD3 ARG 86 -8.322 -2.699 6.767
643 HE ARG 86 HE ARG 86 -10.213 -0.949 7.082
644 HH11 ARG 86 HH11 ARG 86 -10.134 -4.179 8.448
645 HH12 ARG 86 HH12 ARG 86 -11.043 -3.738 9.855
646 HH21 ARG 86 HH21 ARG 86 -11.427 -0.376 8.927
647 HH22 ARG 86 HH22 ARG 86 -11.783 -1.576 10.129
648 H CYS 87 HN CYS 87 -12.433 -1.625 1.879
649 HA CYS 87 HA CYS 87 -10.360 -1.488 -0.117
650 HB2 CYS 87 HB2 CYS 87 -12.742 -1.305 -0.736
651 HB3 CYS 87 HB3 CYS 87 -12.854 0.189 0.189
652 H CYS 88 HN CYS 88 -8.561 -0.424 0.331
653 HA CYS 88 HA CYS 88 -8.607 1.787 2.181
654 HB2 CYS 88 HB2 CYS 88 -6.347 0.483 0.655
655 HB3 CYS 88 HB3 CYS 88 -6.140 1.783 1.827
656 H ARG 89 HN ARG 89 -9.668 3.399 1.279
657 HA ARG 89 HA ARG 89 -8.946 4.352 -1.381
658 HB2 ARG 89 HB2 ARG 89 -11.226 4.821 0.490
659 HB3 ARG 89 HB3 ARG 89 -10.870 6.033 -0.724
660 HG2 ARG 89 HG2 ARG 89 -11.281 3.143 -1.400
661 HG3 ARG 89 HG3 ARG 89 -12.614 4.298 -1.291
662 HD2 ARG 89 HD2 ARG 89 -10.218 4.482 -3.110
663 HD3 ARG 89 HD3 ARG 89 -11.871 4.098 -3.584
664 HE ARG 89 HE ARG 89 -10.862 6.713 -2.737
665 HH11 ARG 89 HH11 ARG 89 -13.543 4.764 -3.847
666 HH12 ARG 89 HH12 ARG 89 -14.476 6.119 -4.383
667 HH21 ARG 89 HH21 ARG 89 -12.086 8.506 -3.461
668 HH22 ARG 89 HH22 ARG 89 -13.650 8.243 -4.166
669 HA PRO 90 HA PRO 90 -6.010 7.262 0.012
670 HB2 PRO 90 HB2 PRO 90 -7.234 9.080 -2.010
671 HB3 PRO 90 HB3 PRO 90 -5.547 8.601 -1.799
672 HG2 PRO 90 HG2 PRO 90 -6.991 7.550 -3.759
673 HG3 PRO 90 HG3 PRO 90 -5.871 6.528 -2.831
674 HD2 PRO 90 HD2 PRO 90 -8.847 6.728 -2.649
675 HD3 PRO 90 HD3 PRO 90 -7.797 5.307 -2.519
676 H GLY 91 HN GLY 91 -6.162 8.312 1.855
677 HA2 GLY 91 HA2 GLY 91 -6.865 10.775 2.415
678 HA3 GLY 91 HA1 GLY 91 -8.456 10.030 2.398
679 H ARG 92 HN ARG 92 -8.904 10.343 4.538
680 HA ARG 92 HA ARG 92 -7.793 8.366 6.313
681 HB2 ARG 92 HB2 ARG 92 -6.309 10.469 6.367
682 HB3 ARG 92 HB3 ARG 92 -7.639 11.225 7.232
683 HG2 ARG 92 HG2 ARG 92 -7.488 9.495 8.958
684 HG3 ARG 92 HG3 ARG 92 -6.137 8.761 8.093
685 HD2 ARG 92 HD2 ARG 92 -5.219 10.098 9.838
686 HD3 ARG 92 HD3 ARG 92 -4.922 10.939 8.318
687 HE ARG 92 HE ARG 92 -7.218 11.683 9.997
688 HH11 ARG 92 HH11 ARG 92 -4.206 12.533 8.428
689 HH12 ARG 92 HH12 ARG 92 -4.333 14.219 8.810
690 HH21 ARG 92 HH21 ARG 92 -7.377 13.909 10.517
691 HH22 ARG 92 HH22 ARG 92 -6.124 14.997 10.013
692 H AAR 93 HN AAR 93 -10.310 9.042 5.081
693 HA AAR 93 HA AAR 93 -12.093 10.180 6.970
694 HB2 AAR 93 HB2 AAR 93 -12.518 8.457 4.528
695 HB3 AAR 93 HB3 AAR 93 -13.819 9.183 5.445
696 HG2 AAR 93 HG2 AAR 93 -13.027 11.398 4.906
697 HG3 AAR 93 HG3 AAR 93 -11.621 10.717 4.084
698 HD2 AAR 93 HD2 AAR 93 -13.305 11.382 2.466
699 HD3 AAR 93 HD3 AAR 93 -13.106 9.630 2.463
700 HE AAR 93 HE AAR 93 -15.311 10.937 3.924
701 HH11 AAR 93 HH21 AAR 93 -17.361 9.991 3.628
702 HH12 AAR 93 HH22 AAR 93 -17.546 8.650 2.541
703 HH21 AAR 93 HH11 AAR 93 -14.163 8.578 1.590
704 HH22 AAR 93 HH12 AAR 93 -15.724 7.848 1.381
705 HNT1 AAR 93 HNT1 AAR 93 -11.855 9.118 8.938
706 HNT2 AAR 93 HNT2 AAR 93 -12.361 7.468 9.186
Start of MODEL 6
1 H PCA 1 HT1 PCA 1 0.922 -3.484 9.487
2 HA PCA 1 HA PCA 1 -0.531 -1.863 7.922
3 HB2 PCA 1 HB2 PCA 1 -0.879 -0.390 10.311
4 HB3 PCA 1 HB3 PCA 1 -2.147 -1.035 9.260
5 HG2 PCA 1 HG2 PCA 1 -1.229 -2.048 11.841
6 HG3 PCA 1 HG3 PCA 1 -2.637 -2.569 10.875
7 HT2 PCA 1 HT2 PCA 1 -0.268 -3.877 8.511
8 H ALA 2 HN ALA 2 1.532 -1.540 7.174
9 HA ALA 2 HA ALA 2 3.520 -0.480 6.922
10 HB1 ALA 2 HB1 ALA 2 2.872 0.940 9.508
11 HB2 ALA 2 HB2 ALA 2 2.440 1.498 7.892
12 HB3 ALA 2 HB3 ALA 2 4.136 1.381 8.361
13 H GLN 3 HN GLN 3 5.597 -0.964 7.392
14 HA GLN 3 HA GLN 3 7.385 -2.049 8.238
15 HB2 GLN 3 HB2 GLN 3 6.571 -0.915 10.410
16 HB3 GLN 3 HB3 GLN 3 5.911 -2.486 10.822
17 HG2 GLN 3 HG2 GLN 3 8.790 -2.141 10.092
18 HG3 GLN 3 HG1 GLN 3 8.214 -1.851 11.730
19 HE21 GLN 3 HE21 GLN 3 10.087 -3.839 10.762
20 HE22 GLN 3 HE22 GLN 3 9.428 -5.379 11.200
21 H ALA 4 HN ALA 4 8.056 -4.125 8.038
22 HA ALA 4 HA ALA 4 7.947 -6.282 7.354
23 HB1 ALA 4 HB1 ALA 4 6.432 -7.802 8.517
24 HB2 ALA 4 HB2 ALA 4 5.550 -6.426 9.180
25 HB3 ALA 4 HB3 ALA 4 7.227 -6.706 9.647
26 H LEU 5 HN LEU 5 7.352 -5.075 5.347
27 HA LEU 5 HA LEU 5 4.610 -5.568 4.427
28 HB2 LEU 5 HB2 LEU 5 6.792 -3.939 3.102
29 HB3 LEU 5 HB3 LEU 5 5.122 -4.040 2.595
30 HG LEU 5 HG LEU 5 5.272 -1.963 3.601
31 HD11 LEU 5 HD11 LEU 5 3.932 -2.088 5.627
32 HD12 LEU 5 HD12 LEU 5 4.278 -3.811 5.757
33 HD13 LEU 5 HD13 LEU 5 3.342 -3.199 4.392
34 HD21 LEU 5 HD21 LEU 5 6.354 -1.485 5.710
35 HD22 LEU 5 HD22 LEU 5 7.487 -2.260 4.603
36 HD23 LEU 5 HD23 LEU 5 6.762 -3.189 5.914
37 H LEU 6 HN LEU 6 5.170 -5.610 1.687
38 HA LEU 6 HA LEU 6 6.012 -8.156 1.007
39 HB2 LEU 6 HB2 LEU 6 6.016 -5.557 -0.519
40 HB3 LEU 6 HB3 LEU 6 6.554 -7.056 -1.259
41 HG LEU 6 HG LEU 6 4.301 -6.616 -1.941
42 HD11 LEU 6 HD11 LEU 6 3.184 -8.641 -1.226
43 HD12 LEU 6 HD12 LEU 6 4.284 -8.792 0.142
44 HD13 LEU 6 HD13 LEU 6 4.898 -8.952 -1.503
45 HD21 LEU 6 HD21 LEU 6 2.451 -6.425 -0.361
46 HD22 LEU 6 HD22 LEU 6 3.631 -5.135 -0.124
47 HD23 LEU 6 HD23 LEU 6 3.585 -6.504 0.986
48 HA PRO 7 HA PRO 7 10.433 -8.088 1.344
49 HB2 PRO 7 HB2 PRO 7 10.699 -9.443 -1.244
50 HB3 PRO 7 HB3 PRO 7 11.074 -10.046 0.370
51 HG2 PRO 7 HG2 PRO 7 8.987 -10.966 -1.071
52 HG3 PRO 7 HG3 PRO 7 8.965 -10.875 0.692
53 HD2 PRO 7 HD2 PRO 7 7.699 -9.063 -1.309
54 HD3 PRO 7 HD3 PRO 7 7.076 -9.624 0.255
55 H ILE 8 HN ILE 8 12.325 -7.150 0.451
56 HA ILE 8 HA ILE 8 11.922 -4.811 -1.034
57 HB ILE 8 HB ILE 8 14.563 -5.128 -1.395
58 HG12 ILE 8 HG12 ILE 8 15.504 -6.201 0.638
59 HG13 ILE 8 HG11 ILE 8 13.897 -6.779 1.050
60 HG21 ILE 8 HG21 ILE 8 13.491 -3.280 -0.275
61 HG22 ILE 8 HG22 ILE 8 14.855 -3.861 0.681
62 HG23 ILE 8 HG23 ILE 8 13.202 -4.275 1.155
63 HD11 ILE 8 HD11 ILE 8 15.236 -8.527 0.031
64 HD12 ILE 8 HD12 ILE 8 15.466 -7.528 -1.405
65 HD13 ILE 8 HD13 ILE 8 13.857 -8.117 -0.990
66 H ALA 9 HN ALA 9 12.289 -8.023 -2.090
67 HA ALA 9 HA ALA 9 13.252 -7.413 -4.718
68 HB1 ALA 9 HB1 ALA 9 11.857 -9.885 -3.707
69 HB2 ALA 9 HB2 ALA 9 13.600 -9.613 -3.712
70 HB3 ALA 9 HB3 ALA 9 12.719 -9.726 -5.237
71 H SER 10 HN SER 10 10.149 -7.603 -3.132
72 HA SER 10 HA SER 10 8.539 -7.803 -5.454
73 HB2 SER 10 HB2 SER 10 7.755 -8.289 -3.125
74 HB3 SER 10 HB3 SER 10 7.789 -6.559 -2.797
75 HG SER 10 HG SER 10 5.751 -7.751 -3.620
76 H TYR 11 HN TYR 11 10.251 -5.179 -4.003
77 HA TYR 11 HA TYR 11 8.861 -3.285 -5.779
78 HB2 TYR 11 HB2 TYR 11 10.727 -2.321 -3.696
79 HB3 TYR 11 HB3 TYR 11 9.281 -1.566 -4.332
80 HD1 TYR 11 HD1 TYR 11 7.036 -2.374 -3.524
81 HD2 TYR 11 HD2 TYR 11 10.692 -3.584 -1.742
82 HE1 TYR 11 HE1 TYR 11 5.816 -3.046 -1.503
83 HE2 TYR 11 HE2 TYR 11 9.481 -4.264 0.296
84 HH TYR 11 HH TYR 11 7.486 -3.986 1.399
85 H ALA 12 HN ALA 12 11.287 -5.245 -6.122
86 HA ALA 12 HA ALA 12 13.645 -3.784 -6.369
87 HB1 ALA 12 HB1 ALA 12 13.509 -6.239 -6.430
88 HB2 ALA 12 HB2 ALA 12 14.457 -5.582 -7.764
89 HB3 ALA 12 HB3 ALA 12 12.810 -6.146 -8.046
90 H GLY 13 HN GLY 13 13.928 -2.001 -7.488
91 HA2 GLY 13 HA2 GLY 13 14.164 -0.625 -9.326
92 HA3 GLY 13 HA1 GLY 13 13.576 -1.934 -10.336
93 H LEU 14 HN LEU 14 11.839 -0.626 -7.584
94 HA LEU 14 HA LEU 14 9.844 0.446 -9.456
95 HB2 LEU 14 HB2 LEU 14 9.316 -1.284 -7.045
96 HB3 LEU 14 HB3 LEU 14 8.076 -0.508 -8.014
97 HG LEU 14 HG LEU 14 10.022 -2.582 -9.031
98 HD11 LEU 14 HD11 LEU 14 7.987 -4.019 -9.133
99 HD12 LEU 14 HD12 LEU 14 7.147 -2.796 -8.177
100 HD13 LEU 14 HD13 LEU 14 8.543 -3.638 -7.506
101 HD21 LEU 14 HD21 LEU 14 8.558 -2.635 -10.996
102 HD22 LEU 14 HD22 LEU 14 9.297 -1.052 -10.768
103 HD23 LEU 14 HD23 LEU 14 7.610 -1.311 -10.320
104 H THR 15 HN THR 15 8.171 1.756 -8.296
105 HA THR 15 HA THR 15 9.479 3.419 -6.246
106 HB THR 15 HB THR 15 7.177 4.426 -7.874
107 HG1 THR 15 HG1 THR 15 8.357 3.872 -9.594
108 HG21 THR 15 HG21 THR 15 9.727 5.781 -6.999
109 HG22 THR 15 HG22 THR 15 8.275 5.717 -6.005
110 HG23 THR 15 HG23 THR 15 8.240 6.545 -7.563
111 H VAL 16 HN VAL 16 8.607 3.254 -4.279
112 HA VAL 16 HA VAL 16 5.898 2.120 -4.033
113 HB VAL 16 HB VAL 16 6.535 1.363 -1.827
114 HG11 VAL 16 HG11 VAL 16 8.535 0.638 -3.960
115 HG12 VAL 16 HG12 VAL 16 6.955 -0.102 -3.707
116 HG13 VAL 16 HG13 VAL 16 8.223 -0.295 -2.497
117 HG21 VAL 16 HG21 VAL 16 8.076 3.165 -1.253
118 HG22 VAL 16 HG22 VAL 16 9.243 2.543 -2.420
119 HG23 VAL 16 HG23 VAL 16 8.813 1.583 -1.003
120 H SER 17 HN SER 17 4.636 2.830 -2.179
121 HA SER 17 HA SER 17 4.483 5.663 -2.119
122 HB2 SER 17 HB2 SER 17 2.819 4.464 -0.132
123 HB3 SER 17 HB3 SER 17 2.345 5.151 -1.689
124 HG SER 17 HG SER 17 2.314 3.196 -2.563
125 H ALA 18 HN ALA 18 4.617 7.011 -0.186
126 HA ALA 18 HA ALA 18 6.972 6.673 1.214
127 HB1 ALA 18 HB1 ALA 18 4.592 8.281 2.118
128 HB2 ALA 18 HB2 ALA 18 5.827 8.821 0.985
129 HB3 ALA 18 HB3 ALA 18 6.257 8.477 2.659
130 HA PRO 19 HA PRO 19 4.159 4.960 5.007
131 HB2 PRO 19 HB2 PRO 19 2.419 3.390 3.154
132 HB3 PRO 19 HB3 PRO 19 2.054 4.052 4.752
133 HG2 PRO 19 HG2 PRO 19 1.163 5.261 2.565
134 HG3 PRO 19 HG3 PRO 19 1.762 6.204 3.938
135 HD2 PRO 19 HD2 PRO 19 3.042 5.671 1.314
136 HD3 PRO 19 HD3 PRO 19 3.147 7.098 2.358
137 H VAL 20 HN VAL 20 4.618 3.146 1.966
138 HA VAL 20 HA VAL 20 5.490 0.807 3.419
139 HB VAL 20 HB VAL 20 4.467 -0.081 1.621
140 HG11 VAL 20 HG11 VAL 20 5.131 2.376 0.037
141 HG12 VAL 20 HG12 VAL 20 3.595 1.999 0.819
142 HG13 VAL 20 HG13 VAL 20 4.155 1.026 -0.541
143 HG21 VAL 20 HG21 VAL 20 5.922 -0.533 -0.348
144 HG22 VAL 20 HG22 VAL 20 6.728 -0.833 1.195
145 HG23 VAL 20 HG23 VAL 20 7.078 0.640 0.288
146 H PHE 21 HN PHE 21 6.865 3.384 1.500
147 HA PHE 21 HA PHE 21 9.489 2.443 1.245
148 HB2 PHE 21 HB2 PHE 21 8.437 4.433 0.091
149 HB3 PHE 21 HB3 PHE 21 8.663 5.323 1.590
150 HD1 PHE 21 HD1 PHE 21 10.848 5.985 2.329
151 HD2 PHE 21 HD2 PHE 21 10.307 3.817 -1.279
152 HE1 PHE 21 HE1 PHE 21 13.155 6.532 1.662
153 HE2 PHE 21 HE2 PHE 21 12.609 4.342 -1.953
154 HZ PHE 21 HZ PHE 21 14.039 5.710 -0.486
155 H ALA 22 HN ALA 22 8.141 4.711 3.640
156 HA ALA 22 HA ALA 22 10.507 4.972 5.146
157 HB1 ALA 22 HB1 ALA 22 7.652 5.389 6.031
158 HB2 ALA 22 HB2 ALA 22 8.675 6.593 5.248
159 HB3 ALA 22 HB3 ALA 22 9.091 5.993 6.853
160 H ALA 23 HN ALA 23 7.845 2.708 5.278
161 HA ALA 23 HA ALA 23 8.603 1.544 7.775
162 HB1 ALA 23 HB1 ALA 23 6.814 0.540 5.570
163 HB2 ALA 23 HB2 ALA 23 6.316 1.432 7.009
164 HB3 ALA 23 HB3 ALA 23 6.984 -0.193 7.165
165 H LEU 24 HN LEU 24 9.121 0.818 4.367
166 HA LEU 24 HA LEU 24 10.571 -1.551 4.575
167 HB2 LEU 24 HB2 LEU 24 10.147 0.576 2.656
168 HB3 LEU 24 HB3 LEU 24 11.774 -0.058 2.572
169 HG LEU 24 HG LEU 24 11.063 -2.154 1.856
170 HD11 LEU 24 HD11 LEU 24 9.392 -2.579 3.577
171 HD12 LEU 24 HD12 LEU 24 8.757 -2.950 1.978
172 HD13 LEU 24 HD13 LEU 24 8.283 -1.457 2.790
173 HD21 LEU 24 HD21 LEU 24 9.123 -0.131 0.773
174 HD22 LEU 24 HD22 LEU 24 9.498 -1.684 0.023
175 HD23 LEU 24 HD23 LEU 24 10.750 -0.450 0.175
176 H VAL 25 HN VAL 25 11.762 1.808 4.528
177 HA VAL 25 HA VAL 25 14.460 1.229 5.011
178 HB VAL 25 HB VAL 25 12.903 3.669 5.899
179 HG11 VAL 25 HG11 VAL 25 15.084 4.789 5.945
180 HG12 VAL 25 HG12 VAL 25 15.871 3.252 5.574
181 HG13 VAL 25 HG13 VAL 25 15.008 3.456 7.102
182 HG21 VAL 25 HG21 VAL 25 14.516 3.141 3.408
183 HG22 VAL 25 HG22 VAL 25 13.810 4.695 3.857
184 HG23 VAL 25 HG23 VAL 25 12.764 3.318 3.504
185 H THR 26 HN THR 26 11.731 1.270 7.099
186 HA THR 26 HA THR 26 13.104 1.370 9.576
187 HB THR 26 HB THR 26 10.357 0.300 8.879
188 HG1 THR 26 HG1 THR 26 10.798 2.603 8.590
189 HG21 THR 26 HG21 THR 26 9.861 0.476 11.280
190 HG22 THR 26 HG22 THR 26 11.548 0.881 11.596
191 HG23 THR 26 HG23 THR 26 11.127 -0.710 10.960
192 H VAL 27 HN VAL 27 12.159 -1.278 7.423
193 HA VAL 27 HA VAL 27 13.236 -3.198 9.368
194 HB VAL 27 HB VAL 27 11.153 -4.044 8.964
195 HG11 VAL 27 HG11 VAL 27 9.923 -3.871 6.857
196 HG12 VAL 27 HG12 VAL 27 11.307 -3.067 6.116
197 HG13 VAL 27 HG13 VAL 27 10.437 -2.285 7.438
198 HG21 VAL 27 HG21 VAL 27 11.220 -5.861 7.365
199 HG22 VAL 27 HG22 VAL 27 12.759 -5.743 8.222
200 HG23 VAL 27 HG23 VAL 27 12.614 -5.127 6.572
201 H TYR 28 HN TYR 28 13.273 -2.500 5.891
202 HA TYR 28 HA TYR 28 15.499 -4.301 5.456
203 HB2 TYR 28 HB2 TYR 28 14.027 -2.485 3.535
204 HB3 TYR 28 HB3 TYR 28 15.152 -3.767 3.090
205 HD1 TYR 28 HD1 TYR 28 11.763 -2.946 3.695
206 HD2 TYR 28 HD2 TYR 28 14.537 -6.159 3.911
207 HE1 TYR 28 HE1 TYR 28 9.902 -4.544 3.727
208 HE2 TYR 28 HE2 TYR 28 12.683 -7.770 3.933
209 HH TYR 28 HH TYR 28 10.245 -7.740 4.622
210 H GLY 29 HN GLY 29 14.852 -0.911 5.791
211 HA2 GLY 29 HA2 GLY 29 16.437 0.698 6.393
212 HA3 GLY 29 HA1 GLY 29 17.709 -0.397 5.876
213 H ALA 30 HN ALA 30 17.703 2.296 5.208
214 HA ALA 30 HA ALA 30 16.660 2.757 2.617
215 HB1 ALA 30 HB1 ALA 30 18.161 4.681 2.557
216 HB2 ALA 30 HB2 ALA 30 18.999 4.079 3.986
217 HB3 ALA 30 HB3 ALA 30 17.314 4.585 4.101
218 H TYR 31 HN TYR 31 19.531 1.241 3.844
219 HA TYR 31 HA TYR 31 21.100 1.180 1.540
220 HB2 TYR 31 HB2 TYR 31 21.704 0.527 3.942
221 HB3 TYR 31 HB3 TYR 31 20.969 -1.032 3.584
222 HD1 TYR 31 HD1 TYR 31 23.593 1.313 2.489
223 HD2 TYR 31 HD2 TYR 31 22.200 -2.693 2.469
224 HE1 TYR 31 HE1 TYR 31 25.725 0.588 1.482
225 HE2 TYR 31 HE2 TYR 31 24.320 -3.439 1.467
226 HH TYR 31 HH TYR 31 26.148 -2.391 0.045
227 H ALA 32 HN ALA 32 18.833 -1.316 2.798
228 HA ALA 32 HA ALA 32 19.118 -3.039 0.605
229 HB1 ALA 32 HB1 ALA 32 16.747 -2.724 2.433
230 HB2 ALA 32 HB2 ALA 32 18.142 -3.764 2.715
231 HB3 ALA 32 HB3 ALA 32 17.055 -4.095 1.367
232 H LEU 33 HN LEU 33 16.792 -0.433 1.237
233 HA LEU 33 HA LEU 33 15.261 -0.866 -1.073
234 HB2 LEU 33 HB2 LEU 33 15.521 1.224 0.967
235 HB3 LEU 33 HB3 LEU 33 14.994 1.819 -0.600
236 HG LEU 33 HG LEU 33 13.114 0.270 -0.577
237 HD11 LEU 33 HD11 LEU 33 14.284 -1.498 0.754
238 HD12 LEU 33 HD12 LEU 33 12.636 -1.148 1.267
239 HD13 LEU 33 HD13 LEU 33 13.997 -0.516 2.191
240 HD21 LEU 33 HD21 LEU 33 13.335 1.789 2.004
241 HD22 LEU 33 HD22 LEU 33 11.850 1.318 1.175
242 HD23 LEU 33 HD23 LEU 33 12.930 2.504 0.444
243 H TYR 34 HN TYR 34 18.104 1.151 -0.503
244 HA TYR 34 HA TYR 34 18.167 2.315 -3.083
245 HB2 TYR 34 HB2 TYR 34 19.462 3.424 -1.464
246 HB3 TYR 34 HB3 TYR 34 20.190 1.929 -0.887
247 HD1 TYR 34 HD1 TYR 34 20.281 4.505 -3.513
248 HD2 TYR 34 HD2 TYR 34 22.103 0.979 -1.966
249 HE1 TYR 34 HE1 TYR 34 22.240 4.895 -4.951
250 HE2 TYR 34 HE2 TYR 34 24.068 1.366 -3.398
251 HH TYR 34 HH TYR 34 24.635 4.290 -5.013
252 H ARG 35 HN ARG 35 19.277 -0.672 -1.705
253 HA ARG 35 HA ARG 35 21.080 -1.416 -3.739
254 HB2 ARG 35 HB2 ARG 35 19.677 -2.802 -1.520
255 HB3 ARG 35 HB3 ARG 35 20.418 -3.794 -2.771
256 HG2 ARG 35 HG2 ARG 35 22.540 -2.465 -2.310
257 HG3 ARG 35 HG3 ARG 35 21.718 -1.893 -0.856
258 HD2 ARG 35 HD2 ARG 35 22.079 -4.787 -1.571
259 HD3 ARG 35 HD3 ARG 35 23.160 -3.902 -0.503
260 HE ARG 35 HE ARG 35 21.100 -3.545 0.908
261 HH11 ARG 35 HH11 ARG 35 21.396 -6.309 -1.223
262 HH12 ARG 35 HH12 ARG 35 20.445 -7.349 -0.211
263 HH21 ARG 35 HH21 ARG 35 19.838 -4.922 2.235
264 HH22 ARG 35 HH22 ARG 35 19.550 -6.559 1.735
265 H TYR 36 HN TYR 36 17.676 -2.151 -3.171
266 HA TYR 36 HA TYR 36 17.553 -3.714 -5.613
267 HB2 TYR 36 HB2 TYR 36 15.533 -3.126 -3.457
268 HB3 TYR 36 HB3 TYR 36 15.160 -4.069 -4.899
269 HD1 TYR 36 HD1 TYR 36 15.657 -6.351 -4.969
270 HD2 TYR 36 HD2 TYR 36 17.457 -3.913 -2.004
271 HE1 TYR 36 HE1 TYR 36 16.600 -8.359 -3.899
272 HE2 TYR 36 HE2 TYR 36 18.415 -5.888 -0.922
273 HH TYR 36 HH TYR 36 18.463 -8.960 -2.406
274 H ASN 37 HN ASN 37 17.703 -0.610 -5.206
275 HA ASN 37 HA ASN 37 17.076 1.242 -6.345
276 HB2 ASN 37 HB2 ASN 37 17.612 -0.430 -8.263
277 HB3 ASN 37 HB3 ASN 37 15.871 -0.504 -8.476
278 HD21 ASN 37 HD21 ASN 37 14.760 1.365 -9.133
279 HD22 ASN 37 HD22 ASN 37 15.588 2.665 -9.920
280 H ILE 38 HN ILE 38 15.395 0.486 -4.370
281 HA ILE 38 HA ILE 38 12.674 0.760 -5.375
282 HB ILE 38 HB ILE 38 13.684 0.515 -2.537
283 HG12 ILE 38 HG12 ILE 38 12.445 -1.575 -4.341
284 HG13 ILE 38 HG11 ILE 38 14.160 -1.456 -3.983
285 HG21 ILE 38 HG21 ILE 38 11.356 -0.036 -1.997
286 HG22 ILE 38 HG22 ILE 38 10.901 0.277 -3.674
287 HG23 ILE 38 HG23 ILE 38 11.503 1.591 -2.663
288 HD11 ILE 38 HD11 ILE 38 11.987 -1.989 -1.986
289 HD12 ILE 38 HD12 ILE 38 13.712 -1.878 -1.639
290 HD13 ILE 38 HD13 ILE 38 13.103 -3.179 -2.663
291 H ARG 39 HN ARG 39 11.699 2.642 -5.534
292 HA ARG 39 HA ARG 39 13.037 5.009 -4.392
293 HB2 ARG 39 HB2 ARG 39 11.285 4.738 -6.837
294 HB3 ARG 39 HB3 ARG 39 11.844 6.270 -6.202
295 HG2 ARG 39 HG2 ARG 39 13.336 5.899 -7.878
296 HG3 ARG 39 HG3 ARG 39 14.200 5.213 -6.502
297 HD2 ARG 39 HD2 ARG 39 14.274 3.773 -8.513
298 HD3 ARG 39 HD3 ARG 39 13.532 2.989 -7.122
299 HE ARG 39 HE ARG 39 11.385 3.315 -8.159
300 HH11 ARG 39 HH11 ARG 39 14.123 3.979 -10.226
301 HH12 ARG 39 HH12 ARG 39 13.248 3.691 -11.695
302 HH21 ARG 39 HH21 ARG 39 10.227 2.938 -10.099
303 HH22 ARG 39 HH22 ARG 39 11.039 3.097 -11.624
304 H ARG 40 HN ARG 40 11.504 6.875 -4.021
305 HA ARG 40 HA ARG 40 9.037 5.869 -2.762
306 HB2 ARG 40 HB2 ARG 40 10.823 6.900 -1.275
307 HB3 ARG 40 HB3 ARG 40 10.459 8.433 -2.058
308 HG2 ARG 40 HG2 ARG 40 8.135 8.256 -1.292
309 HG3 ARG 40 HG3 ARG 40 8.534 6.742 -0.478
310 HD2 ARG 40 HD2 ARG 40 8.639 8.377 1.203
311 HD3 ARG 40 HD3 ARG 40 10.316 8.069 0.762
312 HE ARG 40 HE ARG 40 9.213 10.218 -0.739
313 HH11 ARG 40 HH11 ARG 40 10.574 9.399 2.382
314 HH12 ARG 40 HH12 ARG 40 11.084 11.022 2.723
315 HH21 ARG 40 HH21 ARG 40 9.906 12.353 -0.289
316 HH22 ARG 40 HH22 ARG 40 10.693 12.693 1.220
317 H ARG 41 HN ARG 41 7.147 6.709 -3.336
318 HA ARG 41 HA ARG 41 7.178 8.942 -5.273
319 HB2 ARG 41 HB2 ARG 41 5.373 7.895 -6.469
320 HB3 ARG 41 HB3 ARG 41 6.673 6.728 -6.295
321 HG2 ARG 41 HG2 ARG 41 5.389 5.923 -4.220
322 HG3 ARG 41 HG3 ARG 41 4.029 6.816 -4.904
323 HD2 ARG 41 HD2 ARG 41 5.541 4.527 -6.131
324 HD3 ARG 41 HD3 ARG 41 3.855 4.556 -5.619
325 HE ARG 41 HE ARG 41 3.916 6.497 -7.481
326 HH11 ARG 41 HH11 ARG 41 5.093 3.193 -7.498
327 HH12 ARG 41 HH12 ARG 41 4.849 2.986 -9.204
328 HH21 ARG 41 HH21 ARG 41 3.605 6.233 -9.714
329 HH22 ARG 41 HH22 ARG 41 3.988 4.717 -10.468
330 H GLU 42 HN GLU 42 4.960 9.950 -5.508
331 HA GLU 42 HA GLU 42 3.881 10.784 -3.035
332 HB2 GLU 42 HB2 GLU 42 2.713 10.916 -5.817
333 HB3 GLU 42 HB3 GLU 42 2.048 11.742 -4.415
334 HG2 GLU 42 HG2 GLU 42 4.139 13.011 -4.199
335 HG3 GLU 42 HG3 GLU 42 4.749 12.215 -5.651
336 H ASN 43 HN ASN 43 1.848 10.283 -2.107
337 HA ASN 43 HA ASN 43 0.584 7.845 -3.066
338 HB2 ASN 43 HB2 ASN 43 0.677 6.790 -0.872
339 HB3 ASN 43 HB3 ASN 43 2.299 7.144 -1.459
340 HD21 ASN 43 HD21 ASN 43 3.379 9.013 -0.600
341 HD22 ASN 43 HD22 ASN 43 3.014 9.551 1.001
342 H SER 44 HN SER 44 -0.241 10.495 -3.177
343 HA SER 44 HA SER 44 -2.177 11.106 -1.201
344 HB2 SER 44 HB2 SER 44 -2.112 11.931 -4.117
345 HB3 SER 44 HB3 SER 44 -3.025 12.718 -2.832
346 HG SER 44 HG SER 44 -0.518 12.577 -2.015
347 H TYR 45 HN TYR 45 -2.106 9.122 -4.030
348 HA TYR 45 HA TYR 45 -4.814 8.161 -3.410
349 HB2 TYR 45 HB2 TYR 45 -5.042 7.444 -5.674
350 HB3 TYR 45 HB3 TYR 45 -4.394 9.076 -5.752
351 HD1 TYR 45 HD1 TYR 45 -1.989 9.418 -6.307
352 HD2 TYR 45 HD2 TYR 45 -3.831 5.585 -6.524
353 HE1 TYR 45 HE1 TYR 45 -0.136 8.615 -7.697
354 HE2 TYR 45 HE2 TYR 45 -1.982 4.776 -7.923
355 HH TYR 45 HH TYR 45 -0.267 5.685 -9.417
356 H GLN 46 HN GLN 46 -4.881 5.692 -4.229
357 HA GLN 46 HA GLN 46 -2.969 4.433 -2.482
358 HB2 GLN 46 HB2 GLN 46 -5.626 3.776 -3.545
359 HB3 GLN 46 HB3 GLN 46 -4.544 2.409 -3.277
360 HG2 GLN 46 HG2 GLN 46 -5.978 2.952 -1.339
361 HG3 GLN 46 HG1 GLN 46 -4.251 3.002 -0.990
362 HE21 GLN 46 HE21 GLN 46 -4.248 4.413 0.644
363 HE22 GLN 46 HE22 GLN 46 -4.778 6.066 0.514
364 H ARG 47 HN ARG 47 -1.120 4.452 -3.576
365 HA ARG 47 HA ARG 47 -0.935 2.703 -5.924
366 HB2 ARG 47 HB2 ARG 47 0.063 4.971 -6.122
367 HB3 ARG 47 HB3 ARG 47 1.125 4.601 -4.774
368 HG2 ARG 47 HG2 ARG 47 2.277 4.402 -6.901
369 HG3 ARG 47 HG3 ARG 47 2.199 2.849 -6.072
370 HD2 ARG 47 HD2 ARG 47 0.181 3.631 -8.155
371 HD3 ARG 47 HD3 ARG 47 1.721 2.894 -8.592
372 HE ARG 47 HE ARG 47 0.981 1.038 -7.013
373 HH11 ARG 47 HH11 ARG 47 -1.233 2.964 -8.933
374 HH12 ARG 47 HH12 ARG 47 -2.470 1.751 -8.960
375 HH21 ARG 47 HH21 ARG 47 -0.643 -0.574 -7.062
376 HH22 ARG 47 HH22 ARG 47 -2.125 -0.272 -7.919
377 H ILE 48 HN ILE 48 -1.445 1.046 -4.230
378 HA ILE 48 HA ILE 48 0.765 0.357 -2.458
379 HB ILE 48 HB ILE 48 -1.886 -1.060 -2.795
380 HG12 ILE 48 HG12 ILE 48 -2.261 1.277 -2.146
381 HG13 ILE 48 HG11 ILE 48 -2.648 0.189 -0.820
382 HG21 ILE 48 HG21 ILE 48 -0.173 -2.411 -1.720
383 HG22 ILE 48 HG22 ILE 48 -1.418 -1.952 -0.560
384 HG23 ILE 48 HG23 ILE 48 0.137 -1.120 -0.559
385 HD11 ILE 48 HD11 ILE 48 -0.508 0.719 0.234
386 HD12 ILE 48 HD12 ILE 48 -1.484 2.164 -0.030
387 HD13 ILE 48 HD13 ILE 48 -0.127 1.809 -1.097
388 H ARG 49 HN ARG 49 1.796 -1.688 -2.531
389 HA ARG 49 HA ARG 49 2.088 -2.659 -5.248
390 HB2 ARG 49 HB2 ARG 49 4.070 -1.989 -3.892
391 HB3 ARG 49 HB3 ARG 49 3.709 -3.296 -2.777
392 HG2 ARG 49 HG2 ARG 49 5.526 -3.873 -4.296
393 HG3 ARG 49 HG3 ARG 49 4.134 -4.932 -4.520
394 HD2 ARG 49 HD2 ARG 49 3.451 -3.598 -6.462
395 HD3 ARG 49 HD3 ARG 49 4.863 -2.567 -6.244
396 HE ARG 49 HE ARG 49 6.077 -4.876 -6.498
397 HH11 ARG 49 HH11 ARG 49 3.292 -3.717 -8.284
398 HH12 ARG 49 HH12 ARG 49 3.686 -4.609 -9.717
399 HH21 ARG 49 HH21 ARG 49 6.578 -6.063 -8.375
400 HH22 ARG 49 HH22 ARG 49 5.550 -5.951 -9.768
401 H SER 50 HN SER 50 -0.285 -3.340 -3.880
402 HA SER 50 HA SER 50 -1.673 -5.078 -3.438
403 HB2 SER 50 HB2 SER 50 0.277 -6.702 -5.071
404 HB3 SER 50 HB3 SER 50 -1.463 -6.911 -4.922
405 HG SER 50 HG SER 50 -0.090 -4.790 -6.200
406 H ASP 51 HN ASP 51 -1.482 -7.705 -2.954
407 HA ASP 51 HA ASP 51 0.785 -8.568 -1.519
408 HB2 ASP 51 HB2 ASP 51 -0.402 -8.855 0.717
409 HB3 ASP 51 HB3 ASP 51 0.202 -7.270 0.328
410 H HIS 52 HN HIS 52 -2.470 -9.331 -0.479
411 HA HIS 52 HA HIS 52 -2.024 -11.951 -1.751
412 HB2 HIS 52 HB2 HIS 52 -2.193 -11.572 0.887
413 HB3 HIS 52 HB3 HIS 52 -3.908 -11.772 0.527
414 HD1 HIS 52 HD1 HIS 52 -4.697 -14.135 0.477
415 HD2 HIS 52 HD2 HIS 52 -0.616 -13.789 -0.252
416 HE1 HIS 52 HE1 HIS 52 -3.839 -16.496 0.303
417 HE2 HIS 52 HE2 HIS 52 -1.403 -16.261 -0.292
418 H ASP 53 HN ASP 53 -4.924 -10.514 -0.299
419 HA ASP 53 HA ASP 53 -6.413 -11.356 -2.684
420 HB2 ASP 53 HB2 ASP 53 -7.371 -10.578 0.084
421 HB3 ASP 53 HB3 ASP 53 -8.431 -11.027 -1.246
422 H SER 54 HN SER 54 -4.729 -8.849 -2.096
423 HA SER 54 HA SER 54 -6.568 -6.676 -2.049
424 HB2 SER 54 HB2 SER 54 -3.629 -6.913 -2.485
425 HB3 SER 54 HB3 SER 54 -4.453 -5.376 -2.643
426 HG SER 54 HG SER 54 -3.518 -6.242 -0.466
427 H HIS 55 HN HIS 55 -6.939 -5.139 -3.636
428 HA HIS 55 HA HIS 55 -6.279 -5.482 -6.358
429 HB2 HIS 55 HB2 HIS 55 -8.560 -6.026 -7.220
430 HB3 HIS 55 HB3 HIS 55 -7.778 -7.358 -6.391
431 HD1 HIS 55 HD1 HIS 55 -10.892 -5.483 -6.486
432 HD2 HIS 55 HD2 HIS 55 -8.781 -7.692 -3.674
433 HE1 HIS 55 HE1 HIS 55 -12.552 -6.041 -4.685
434 HE2 HIS 55 HE2 HIS 55 -11.305 -7.578 -3.121
435 H SER 56 HN SER 56 -7.945 -4.141 -7.731
436 HA SER 56 HA SER 56 -8.140 -1.591 -6.353
437 HB2 SER 56 HB2 SER 56 -8.771 -0.791 -8.708
438 HB3 SER 56 HB3 SER 56 -7.132 -1.401 -8.484
439 HG SER 56 HG SER 56 -7.598 -3.157 -9.633
440 H CYS 57 HN CYS 57 -9.965 -0.674 -5.697
441 HA CYS 57 HA CYS 57 -12.531 -1.659 -6.730
442 HB2 CYS 57 HB2 CYS 57 -13.459 -1.484 -4.420
443 HB3 CYS 57 HB3 CYS 57 -12.275 -2.775 -4.600
444 H ALA 58 HN ALA 58 -14.313 -0.074 -5.856
445 HA ALA 58 HA ALA 58 -15.180 2.019 -5.678
446 HB1 ALA 58 HB1 ALA 58 -13.671 2.131 -3.721
447 HB2 ALA 58 HB2 ALA 58 -13.903 3.698 -4.488
448 HB3 ALA 58 HB3 ALA 58 -12.410 2.799 -4.758
449 H ASN 59 HN ASN 59 -14.248 1.159 -8.174
450 HA ASN 59 HA ASN 59 -13.542 1.767 -10.246
451 HB2 ASN 59 HB2 ASN 59 -15.369 3.520 -9.756
452 HB3 ASN 59 HB3 ASN 59 -14.043 4.641 -9.474
453 HD21 ASN 59 HD21 ASN 59 -16.071 4.790 -11.499
454 HD22 ASN 59 HD22 ASN 59 -15.267 4.750 -13.029
455 H ASN 60 HN ASN 60 -11.565 1.293 -8.540
456 HA ASN 60 HA ASN 60 -9.357 1.507 -8.136
457 HB2 ASN 60 HB2 ASN 60 -9.572 1.810 -10.758
458 HB3 ASN 60 HB3 ASN 60 -9.011 3.435 -10.390
459 HD21 ASN 60 HD21 ASN 60 -7.346 2.569 -8.133
460 HD22 ASN 60 HD22 ASN 60 -5.974 1.787 -8.842
461 H ARG 61 HN ARG 61 -11.345 3.633 -7.186
462 HA ARG 61 HA ARG 61 -9.441 5.772 -6.580
463 HB2 ARG 61 HB2 ARG 61 -12.406 5.493 -6.094
464 HB3 ARG 61 HB3 ARG 61 -11.457 6.804 -5.406
465 HG2 ARG 61 HG2 ARG 61 -10.880 7.598 -7.609
466 HG3 ARG 61 HG3 ARG 61 -11.688 6.217 -8.354
467 HD2 ARG 61 HD2 ARG 61 -13.067 8.257 -6.620
468 HD3 ARG 61 HD3 ARG 61 -13.017 8.326 -8.380
469 HE ARG 61 HE ARG 61 -14.001 5.839 -7.831
470 HH11 ARG 61 HH11 ARG 61 -14.911 9.073 -6.860
471 HH12 ARG 61 HH12 ARG 61 -16.612 8.730 -6.832
472 HH21 ARG 61 HH21 ARG 61 -16.250 5.372 -7.783
473 HH22 ARG 61 HH22 ARG 61 -17.372 6.628 -7.366
474 H GLY 62 HN GLY 62 -9.475 2.937 -5.561
475 HA2 GLY 62 HA2 GLY 62 -8.345 3.522 -3.062
476 HA3 GLY 62 HA1 GLY 62 -9.977 2.908 -2.807
477 H TRP 63 HN TRP 63 -6.971 1.928 -2.645
478 HA TRP 63 HA TRP 63 -7.263 -0.582 -4.091
479 HB2 TRP 63 HB2 TRP 63 -5.070 0.578 -4.055
480 HB3 TRP 63 HB3 TRP 63 -4.987 0.345 -2.314
481 HD1 TRP 63 HD1 TRP 63 -4.117 -1.927 -1.442
482 HE1 TRP 63 HE1 TRP 63 -3.234 -4.058 -2.560
483 HE3 TRP 63 HE3 TRP 63 -5.431 -0.892 -6.262
484 HZ2 TRP 63 HZ2 TRP 63 -3.102 -5.157 -5.162
485 HZ3 TRP 63 HZ3 TRP 63 -4.892 -2.525 -8.007
486 HH2 TRP 63 HH2 TRP 63 -3.752 -4.618 -7.472
487 H CYS 64 HN CYS 64 -7.986 -2.407 -3.239
488 HA CYS 64 HA CYS 64 -8.985 -2.585 -0.595
489 HB2 CYS 64 HB2 CYS 64 -8.472 -4.674 -2.694
490 HB3 CYS 64 HB3 CYS 64 -9.233 -5.029 -1.152
491 H ARG 65 HN ARG 65 -8.034 -3.107 1.230
492 HA ARG 65 HA ARG 65 -5.554 -4.683 1.166
493 HB2 ARG 65 HB2 ARG 65 -5.983 -2.217 2.863
494 HB3 ARG 65 HB3 ARG 65 -4.563 -3.248 2.882
495 HG2 ARG 65 HG2 ARG 65 -4.714 -2.527 0.257
496 HG3 ARG 65 HG3 ARG 65 -5.277 -1.073 1.084
497 HD2 ARG 65 HD2 ARG 65 -2.914 -0.890 0.882
498 HD3 ARG 65 HD3 ARG 65 -3.262 -1.265 2.572
499 HE ARG 65 HE ARG 65 -2.271 -3.198 0.586
500 HH11 ARG 65 HH11 ARG 65 -2.626 -2.156 3.905
501 HH12 ARG 65 HH12 ARG 65 -1.600 -3.406 4.535
502 HH21 ARG 65 HH21 ARG 65 -0.975 -4.879 1.407
503 HH22 ARG 65 HH22 ARG 65 -0.651 -4.952 3.112
504 HA PRO 66 HA PRO 66 -7.421 -6.577 4.792
505 HB2 PRO 66 HB2 PRO 66 -4.929 -6.938 6.179
506 HB3 PRO 66 HB3 PRO 66 -5.876 -8.140 5.311
507 HG2 PRO 66 HG2 PRO 66 -3.403 -7.194 4.519
508 HG3 PRO 66 HG3 PRO 66 -4.576 -7.989 3.460
509 HD2 PRO 66 HD2 PRO 66 -3.928 -5.100 3.746
510 HD3 PRO 66 HD3 PRO 66 -4.451 -6.008 2.313
511 H THR 67 HN THR 67 -4.989 -4.083 5.190
512 HA THR 67 HA THR 67 -6.665 -2.731 7.126
513 HB THR 67 HB THR 67 -3.760 -3.173 7.817
514 HG1 THR 67 HG1 THR 67 -6.038 -4.733 8.371
515 HG21 THR 67 HG21 THR 67 -4.785 -1.196 8.803
516 HG22 THR 67 HG22 THR 67 -4.488 -2.413 10.044
517 HG23 THR 67 HG23 THR 67 -6.118 -2.174 9.416
518 H CYS 68 HN CYS 68 -6.219 -0.505 7.237
519 HA CYS 68 HA CYS 68 -5.098 0.452 4.716
520 HB2 CYS 68 HB2 CYS 68 -6.929 1.762 6.732
521 HB3 CYS 68 HB3 CYS 68 -6.478 2.450 5.182
522 H PHE 69 HN PHE 69 -3.540 1.906 4.509
523 HA PHE 69 HA PHE 69 -1.812 2.459 6.768
524 HB2 PHE 69 HB2 PHE 69 -1.625 3.284 3.853
525 HB3 PHE 69 HB3 PHE 69 -0.395 3.611 5.063
526 HD1 PHE 69 HD1 PHE 69 -1.586 1.295 2.626
527 HD2 PHE 69 HD2 PHE 69 0.668 1.608 6.228
528 HE1 PHE 69 HE1 PHE 69 -0.506 -0.853 2.138
529 HE2 PHE 69 HE2 PHE 69 1.746 -0.540 5.739
530 HZ PHE 69 HZ PHE 69 1.163 -1.776 3.694
531 H SER 70 HN SER 70 -0.869 4.819 6.778
532 HA SER 70 HA SER 70 -3.066 6.592 7.347
533 HB2 SER 70 HB2 SER 70 -1.069 8.164 7.884
534 HB3 SER 70 HB3 SER 70 -1.324 6.749 8.906
535 HG SER 70 HG SER 70 0.855 7.371 7.627
536 H HIS 71 HN HIS 71 -4.056 7.141 5.464
537 HA HIS 71 HA HIS 71 -3.732 9.137 3.856
538 HB2 HIS 71 HB2 HIS 71 -2.365 8.757 1.948
539 HB3 HIS 71 HB3 HIS 71 -1.352 8.320 3.315
540 HD1 HIS 71 HD1 HIS 71 -1.330 7.306 0.197
541 HD2 HIS 71 HD2 HIS 71 -2.441 5.197 3.593
542 HE1 HIS 71 HE1 HIS 71 -1.038 4.874 -0.387
543 HE2 HIS 71 HE2 HIS 71 -2.054 3.652 1.564
544 H GLU 72 HN GLU 72 -4.775 6.183 4.598
545 HA GLU 72 HA GLU 72 -6.943 6.351 2.668
546 HB2 GLU 72 HB2 GLU 72 -6.893 3.788 2.586
547 HB3 GLU 72 HB3 GLU 72 -5.707 4.661 1.611
548 HG2 GLU 72 HG2 GLU 72 -4.142 4.388 3.596
549 HG3 GLU 72 HG3 GLU 72 -5.280 3.204 4.187
550 H TYR 73 HN TYR 73 -8.746 4.887 3.351
551 HA TYR 73 HA TYR 73 -8.787 4.235 6.181
552 HB2 TYR 73 HB2 TYR 73 -10.975 5.394 6.484
553 HB3 TYR 73 HB3 TYR 73 -9.630 6.495 6.219
554 HD1 TYR 73 HD1 TYR 73 -9.650 8.020 4.441
555 HD2 TYR 73 HD2 TYR 73 -12.555 4.914 4.566
556 HE1 TYR 73 HE1 TYR 73 -10.875 9.093 2.606
557 HE2 TYR 73 HE2 TYR 73 -13.787 5.974 2.721
558 HH TYR 73 HH TYR 73 -12.481 8.585 0.897
559 H THR 74 HN THR 74 -11.247 3.451 6.552
560 HA THR 74 HA THR 74 -11.373 1.146 4.782
561 HB THR 74 HB THR 74 -12.630 1.624 7.495
562 HG1 THR 74 HG1 THR 74 -10.255 1.277 7.278
563 HG21 THR 74 HG21 THR 74 -13.235 -0.728 7.463
564 HG22 THR 74 HG22 THR 74 -12.533 -0.909 5.860
565 HG23 THR 74 HG23 THR 74 -13.963 0.097 6.082
566 H ASP 75 HN ASP 75 -12.473 2.049 3.040
567 HA ASP 75 HA ASP 75 -15.042 3.268 3.441
568 HB2 ASP 75 HB2 ASP 75 -13.621 3.779 1.462
569 HB3 ASP 75 HB3 ASP 75 -13.876 2.132 0.893
570 H TRP 76 HN TRP 76 -16.693 2.162 4.113
571 HA TRP 76 HA TRP 76 -16.708 -0.696 4.062
572 HB2 TRP 76 HB2 TRP 76 -18.598 1.362 5.177
573 HB3 TRP 76 HB3 TRP 76 -18.922 -0.368 5.263
574 HD1 TRP 76 HD1 TRP 76 -16.831 2.346 6.872
575 HE1 TRP 76 HE1 TRP 76 -15.506 1.351 8.843
576 HE3 TRP 76 HE3 TRP 76 -17.762 -2.597 6.033
577 HZ2 TRP 76 HZ2 TRP 76 -14.929 -1.205 9.890
578 HZ3 TRP 76 HZ3 TRP 76 -16.778 -4.255 7.554
579 HH2 TRP 76 HH2 TRP 76 -15.390 -3.575 9.442
580 H PHE 77 HN PHE 77 -17.929 1.690 1.947
581 HA PHE 77 HA PHE 77 -20.130 0.160 0.913
582 HB2 PHE 77 HB2 PHE 77 -19.996 2.617 0.644
583 HB3 PHE 77 HB3 PHE 77 -18.574 2.418 -0.375
584 HD1 PHE 77 HD1 PHE 77 -22.156 1.529 -0.119
585 HD2 PHE 77 HD2 PHE 77 -18.807 2.101 -2.675
586 HE1 PHE 77 HE1 PHE 77 -23.627 1.319 -2.082
587 HE2 PHE 77 HE2 PHE 77 -20.268 1.893 -4.645
588 HZ PHE 77 HZ PHE 77 -22.682 1.501 -4.350
589 H ASN 78 HN ASN 78 -16.909 0.976 -0.335
590 HA ASN 78 HA ASN 78 -17.084 -1.092 -2.330
591 HB2 ASN 78 HB2 ASN 78 -14.696 0.572 -1.518
592 HB3 ASN 78 HB3 ASN 78 -14.843 -0.400 -2.978
593 HD21 ASN 78 HD21 ASN 78 -15.566 2.577 -1.450
594 HD22 ASN 78 HD22 ASN 78 -16.306 3.348 -2.807
595 H ASN 79 HN ASN 79 -16.356 -1.023 0.933
596 HA ASN 79 HA ASN 79 -14.573 -3.204 1.143
597 HB2 ASN 79 HB2 ASN 79 -15.371 -1.657 3.004
598 HB3 ASN 79 HB3 ASN 79 -16.869 -2.574 3.013
599 HD21 ASN 79 HD21 ASN 79 -14.882 -2.166 5.084
600 HD22 ASN 79 HD22 ASN 79 -14.371 -3.738 5.577
601 H ASP 80 HN ASP 80 -18.034 -2.892 0.668
602 HA ASP 80 HA ASP 80 -18.770 -5.585 0.913
603 HB2 ASP 80 HB2 ASP 80 -19.963 -3.315 -0.669
604 HB3 ASP 80 HB3 ASP 80 -20.670 -4.925 -0.666
605 H VAL 81 HN VAL 81 -17.635 -3.730 -1.914
606 HA VAL 81 HA VAL 81 -18.014 -5.877 -3.738
607 HB VAL 81 HB VAL 81 -16.815 -4.649 -5.361
608 HG11 VAL 81 HG11 VAL 81 -18.960 -3.688 -4.790
609 HG12 VAL 81 HG12 VAL 81 -17.823 -2.416 -5.237
610 HG13 VAL 81 HG13 VAL 81 -18.207 -2.699 -3.539
611 HG21 VAL 81 HG21 VAL 81 -15.683 -2.901 -3.190
612 HG22 VAL 81 HG22 VAL 81 -15.388 -2.747 -4.924
613 HG23 VAL 81 HG23 VAL 81 -14.802 -4.163 -4.049
614 H CYS 82 HN CYS 82 -15.577 -5.251 -1.407
615 HA CYS 82 HA CYS 82 -13.656 -7.030 -2.671
616 HB2 CYS 82 HB2 CYS 82 -13.529 -5.559 -0.034
617 HB3 CYS 82 HB3 CYS 82 -12.209 -6.469 -0.764
618 H GLY 83 HN GLY 83 -15.900 -6.988 0.027
619 HA2 GLY 83 HA2 GLY 83 -16.872 -8.804 1.089
620 HA3 GLY 83 HA1 GLY 83 -15.853 -9.871 0.136
621 H SER 84 HN SER 84 -13.643 -10.174 0.815
622 HA SER 84 HA SER 84 -13.426 -10.431 3.655
623 HB2 SER 84 HB2 SER 84 -11.353 -10.904 1.496
624 HB3 SER 84 HB3 SER 84 -11.222 -11.419 3.178
625 HG SER 84 HG SER 84 -12.244 -12.791 1.242
626 H TYR 85 HN TYR 85 -11.638 -8.579 1.200
627 HA TYR 85 HA TYR 85 -10.141 -7.161 3.209
628 HB2 TYR 85 HB2 TYR 85 -10.194 -7.223 0.229
629 HB3 TYR 85 HB3 TYR 85 -9.518 -5.797 1.021
630 HD1 TYR 85 HD1 TYR 85 -9.106 -8.779 2.949
631 HD2 TYR 85 HD2 TYR 85 -7.426 -6.545 -0.267
632 HE1 TYR 85 HE1 TYR 85 -6.963 -9.935 3.258
633 HE2 TYR 85 HE2 TYR 85 -5.322 -7.692 0.033
634 HH TYR 85 HH TYR 85 -4.084 -8.934 1.601
635 H ARG 86 HN ARG 86 -10.028 -4.831 3.235
636 HA ARG 86 HA ARG 86 -12.683 -3.614 2.929
637 HB2 ARG 86 HB2 ARG 86 -11.877 -1.925 4.520
638 HB3 ARG 86 HB3 ARG 86 -11.770 -3.538 5.205
639 HG2 ARG 86 HG2 ARG 86 -9.353 -3.558 4.614
640 HG3 ARG 86 HG3 ARG 86 -9.513 -1.880 4.093
641 HD2 ARG 86 HD2 ARG 86 -8.652 -1.895 6.325
642 HD3 ARG 86 HD3 ARG 86 -10.315 -1.314 6.378
643 HE ARG 86 HE ARG 86 -9.905 -4.152 6.876
644 HH11 ARG 86 HH11 ARG 86 -10.485 -0.956 8.193
645 HH12 ARG 86 HH12 ARG 86 -10.946 -1.552 9.758
646 HH21 ARG 86 HH21 ARG 86 -10.525 -4.930 8.931
647 HH22 ARG 86 HH22 ARG 86 -10.987 -3.811 10.172
648 H CYS 87 HN CYS 87 -12.838 -1.549 1.876
649 HA CYS 87 HA CYS 87 -10.787 -1.280 -0.159
650 HB2 CYS 87 HB2 CYS 87 -13.228 -1.155 -0.710
651 HB3 CYS 87 HB3 CYS 87 -13.296 0.362 0.181
652 H CYS 88 HN CYS 88 -9.036 -0.192 0.372
653 HA CYS 88 HA CYS 88 -9.155 1.842 2.403
654 HB2 CYS 88 HB2 CYS 88 -6.880 0.680 0.807
655 HB3 CYS 88 HB3 CYS 88 -6.673 1.949 2.014
656 H ARG 89 HN ARG 89 -10.349 3.396 1.588
657 HA ARG 89 HA ARG 89 -9.887 4.668 -0.950
658 HB2 ARG 89 HB2 ARG 89 -12.090 4.381 0.388
659 HB3 ARG 89 HB3 ARG 89 -11.494 5.693 1.378
660 HG2 ARG 89 HG2 ARG 89 -12.847 6.776 -0.088
661 HG3 ARG 89 HG3 ARG 89 -11.268 6.966 -0.834
662 HD2 ARG 89 HD2 ARG 89 -11.811 5.660 -2.609
663 HD3 ARG 89 HD3 ARG 89 -12.895 4.633 -1.651
664 HE ARG 89 HE ARG 89 -14.061 7.055 -1.614
665 HH11 ARG 89 HH11 ARG 89 -12.980 5.091 -4.252
666 HH12 ARG 89 HH12 ARG 89 -14.313 5.508 -5.279
667 HH21 ARG 89 HH21 ARG 89 -15.794 7.663 -2.965
668 HH22 ARG 89 HH22 ARG 89 -15.901 6.983 -4.557
669 HA PRO 90 HA PRO 90 -6.656 7.406 0.425
670 HB2 PRO 90 HB2 PRO 90 -7.863 9.500 -1.280
671 HB3 PRO 90 HB3 PRO 90 -6.252 8.783 -1.354
672 HG2 PRO 90 HG2 PRO 90 -8.145 8.227 -3.179
673 HG3 PRO 90 HG3 PRO 90 -6.951 7.019 -2.663
674 HD2 PRO 90 HD2 PRO 90 -9.820 7.289 -1.923
675 HD3 PRO 90 HD3 PRO 90 -8.858 5.829 -2.166
676 H GLY 91 HN GLY 91 -6.658 8.343 2.355
677 HA2 GLY 91 HA2 GLY 91 -7.384 10.735 3.171
678 HA3 GLY 91 HA1 GLY 91 -8.952 9.947 3.204
679 H ARG 92 HN ARG 92 -9.361 9.879 5.335
680 HA ARG 92 HA ARG 92 -8.103 7.920 6.944
681 HB2 ARG 92 HB2 ARG 92 -6.771 10.365 6.875
682 HB3 ARG 92 HB3 ARG 92 -7.695 10.405 8.367
683 HG2 ARG 92 HG2 ARG 92 -5.816 8.180 7.610
684 HG3 ARG 92 HG3 ARG 92 -5.363 9.564 8.602
685 HD2 ARG 92 HD2 ARG 92 -5.850 7.910 10.161
686 HD3 ARG 92 HD3 ARG 92 -7.324 8.871 10.106
687 HE ARG 92 HE ARG 92 -8.392 7.114 8.942
688 HH11 ARG 92 HH11 ARG 92 -5.128 6.324 9.936
689 HH12 ARG 92 HH12 ARG 92 -5.364 4.613 9.786
690 HH21 ARG 92 HH21 ARG 92 -8.702 4.849 8.760
691 HH22 ARG 92 HH22 ARG 92 -7.388 3.777 9.125
692 H AAR 93 HN AAR 93 -10.701 8.278 6.295
693 HA AAR 93 HA AAR 93 -12.214 9.762 8.171
694 HB2 AAR 93 HB2 AAR 93 -12.895 7.479 6.326
695 HB3 AAR 93 HB3 AAR 93 -14.081 8.224 7.373
696 HG2 AAR 93 HG2 AAR 93 -13.649 10.391 6.269
697 HG3 AAR 93 HG3 AAR 93 -12.542 9.566 5.169
698 HD2 AAR 93 HD2 AAR 93 -14.420 8.098 4.466
699 HD3 AAR 93 HD3 AAR 93 -15.502 9.056 5.475
700 HE AAR 93 HE AAR 93 -14.230 10.847 3.810
701 HH11 AAR 93 HH21 AAR 93 -15.123 11.595 1.842
702 HH12 AAR 93 HH22 AAR 93 -16.330 10.645 1.036
703 HH21 AAR 93 HH11 AAR 93 -16.330 8.074 3.415
704 HH22 AAR 93 HH12 AAR 93 -17.009 8.640 1.926
705 HNT1 AAR 93 HNT1 AAR 93 -11.281 9.189 10.217
706 HNT2 AAR 93 HNT2 AAR 93 -11.690 7.678 10.988
Start of MODEL 7
1 H PCA 1 HT1 PCA 1 -0.384 -0.808 9.247
2 HA PCA 1 HA PCA 1 -0.575 1.103 7.271
3 HB2 PCA 1 HB2 PCA 1 0.403 2.402 9.729
4 HB3 PCA 1 HB3 PCA 1 -0.629 3.052 8.447
5 HG2 PCA 1 HG2 PCA 1 -1.516 2.160 10.959
6 HG3 PCA 1 HG3 PCA 1 -2.545 2.391 9.518
7 HT2 PCA 1 HT2 PCA 1 -1.488 -0.611 8.119
8 H ALA 2 HN ALA 2 1.757 2.490 8.271
9 HA ALA 2 HA ALA 2 3.854 1.105 7.267
10 HB1 ALA 2 HB1 ALA 2 4.017 3.432 7.779
11 HB2 ALA 2 HB2 ALA 2 5.294 2.586 8.656
12 HB3 ALA 2 HB3 ALA 2 3.844 3.115 9.504
13 H GLN 3 HN GLN 3 5.767 0.243 8.291
14 HA GLN 3 HA GLN 3 6.958 -1.179 9.521
15 HB2 GLN 3 HB2 GLN 3 5.951 0.116 11.470
16 HB3 GLN 3 HB3 GLN 3 4.795 -1.204 11.600
17 HG2 GLN 3 HG2 GLN 3 6.559 -1.610 13.129
18 HG3 GLN 3 HG1 GLN 3 6.690 -2.761 11.801
19 HE21 GLN 3 HE21 GLN 3 8.874 -3.111 12.240
20 HE22 GLN 3 HE22 GLN 3 10.082 -1.943 11.829
21 H ALA 4 HN ALA 4 7.201 -3.274 9.189
22 HA ALA 4 HA ALA 4 6.789 -5.356 8.397
23 HB1 ALA 4 HB1 ALA 4 5.002 -6.621 9.466
24 HB2 ALA 4 HB2 ALA 4 4.292 -5.125 10.072
25 HB3 ALA 4 HB3 ALA 4 5.875 -5.644 10.648
26 H LEU 5 HN LEU 5 6.516 -4.265 6.274
27 HA LEU 5 HA LEU 5 3.737 -4.333 5.310
28 HB2 LEU 5 HB2 LEU 5 6.112 -3.035 3.953
29 HB3 LEU 5 HB3 LEU 5 4.429 -2.896 3.489
30 HG LEU 5 HG LEU 5 4.801 -0.858 4.498
31 HD11 LEU 5 HD11 LEU 5 2.870 -1.899 5.513
32 HD12 LEU 5 HD12 LEU 5 3.697 -0.846 6.661
33 HD13 LEU 5 HD13 LEU 5 3.889 -2.595 6.773
34 HD21 LEU 5 HD21 LEU 5 6.165 -0.469 6.455
35 HD22 LEU 5 HD22 LEU 5 7.088 -1.362 5.246
36 HD23 LEU 5 HD23 LEU 5 6.426 -2.202 6.651
37 H LEU 6 HN LEU 6 4.196 -4.559 2.616
38 HA LEU 6 HA LEU 6 4.699 -7.244 2.055
39 HB2 LEU 6 HB2 LEU 6 4.871 -4.752 0.357
40 HB3 LEU 6 HB3 LEU 6 5.228 -6.338 -0.306
41 HG LEU 6 HG LEU 6 2.995 -5.705 -0.917
42 HD11 LEU 6 HD11 LEU 6 2.913 -7.788 1.254
43 HD12 LEU 6 HD12 LEU 6 3.365 -8.056 -0.428
44 HD13 LEU 6 HD13 LEU 6 1.718 -7.570 -0.024
45 HD21 LEU 6 HD21 LEU 6 1.249 -5.289 0.752
46 HD22 LEU 6 HD22 LEU 6 2.533 -4.082 0.811
47 HD23 LEU 6 HD23 LEU 6 2.468 -5.357 2.026
48 HA PRO 7 HA PRO 7 9.068 -7.781 2.200
49 HB2 PRO 7 HB2 PRO 7 9.141 -9.318 -0.191
50 HB3 PRO 7 HB3 PRO 7 9.131 -9.910 1.462
51 HG2 PRO 7 HG2 PRO 7 6.988 -9.886 -0.486
52 HG3 PRO 7 HG3 PRO 7 7.070 -10.717 1.068
53 HD2 PRO 7 HD2 PRO 7 5.492 -8.511 0.470
54 HD3 PRO 7 HD3 PRO 7 5.856 -9.143 2.082
55 H ILE 8 HN ILE 8 10.933 -7.095 1.173
56 HA ILE 8 HA ILE 8 10.734 -4.814 -0.415
57 HB ILE 8 HB ILE 8 13.284 -5.515 -0.920
58 HG12 ILE 8 HG12 ILE 8 14.197 -6.561 1.141
59 HG13 ILE 8 HG11 ILE 8 12.555 -6.894 1.672
60 HG21 ILE 8 HG21 ILE 8 12.156 -4.283 1.580
61 HG22 ILE 8 HG22 ILE 8 12.606 -3.465 0.081
62 HG23 ILE 8 HG23 ILE 8 13.853 -4.196 1.091
63 HD11 ILE 8 HD11 ILE 8 12.221 -8.356 -0.236
64 HD12 ILE 8 HD12 ILE 8 13.627 -8.860 0.702
65 HD13 ILE 8 HD13 ILE 8 13.844 -7.988 -0.817
66 H ALA 9 HN ALA 9 10.862 -8.133 -1.346
67 HA ALA 9 HA ALA 9 11.705 -7.667 -4.037
68 HB1 ALA 9 HB1 ALA 9 10.262 -10.041 -2.873
69 HB2 ALA 9 HB2 ALA 9 12.013 -9.843 -2.973
70 HB3 ALA 9 HB3 ALA 9 11.052 -9.972 -4.446
71 H SER 10 HN SER 10 8.731 -7.453 -2.308
72 HA SER 10 HA SER 10 7.017 -7.665 -4.593
73 HB2 SER 10 HB2 SER 10 6.464 -6.492 -1.862
74 HB3 SER 10 HB3 SER 10 5.249 -6.910 -3.074
75 HG SER 10 HG SER 10 6.877 -9.004 -2.657
76 H TYR 11 HN TYR 11 9.024 -5.205 -3.352
77 HA TYR 11 HA TYR 11 7.696 -3.265 -5.129
78 HB2 TYR 11 HB2 TYR 11 9.775 -2.411 -3.191
79 HB3 TYR 11 HB3 TYR 11 8.428 -1.503 -3.848
80 HD1 TYR 11 HD1 TYR 11 9.640 -3.497 -1.151
81 HD2 TYR 11 HD2 TYR 11 6.117 -1.944 -2.932
82 HE1 TYR 11 HE1 TYR 11 8.430 -3.843 0.967
83 HE2 TYR 11 HE2 TYR 11 4.890 -2.287 -0.834
84 HH TYR 11 HH TYR 11 6.535 -3.239 2.094
85 H ALA 12 HN ALA 12 9.847 -5.483 -5.527
86 HA ALA 12 HA ALA 12 12.336 -4.321 -5.989
87 HB1 ALA 12 HB1 ALA 12 12.806 -6.243 -7.416
88 HB2 ALA 12 HB2 ALA 12 11.087 -6.636 -7.469
89 HB3 ALA 12 HB3 ALA 12 11.969 -6.735 -5.946
90 H GLY 13 HN GLY 13 12.762 -2.635 -7.212
91 HA2 GLY 13 HA2 GLY 13 12.938 -1.278 -9.061
92 HA3 GLY 13 HA1 GLY 13 12.277 -2.592 -10.020
93 H LEU 14 HN LEU 14 10.786 -0.985 -7.267
94 HA LEU 14 HA LEU 14 8.694 0.039 -9.061
95 HB2 LEU 14 HB2 LEU 14 8.231 -1.534 -6.527
96 HB3 LEU 14 HB3 LEU 14 6.976 -0.776 -7.490
97 HG LEU 14 HG LEU 14 8.801 -2.970 -8.476
98 HD11 LEU 14 HD11 LEU 14 7.387 -3.887 -6.786
99 HD12 LEU 14 HD12 LEU 14 6.760 -4.382 -8.359
100 HD13 LEU 14 HD13 LEU 14 5.972 -3.086 -7.462
101 HD21 LEU 14 HD21 LEU 14 6.356 -1.694 -9.689
102 HD22 LEU 14 HD22 LEU 14 7.177 -3.119 -10.324
103 HD23 LEU 14 HD23 LEU 14 8.016 -1.568 -10.272
104 H THR 15 HN THR 15 7.292 1.646 -8.037
105 HA THR 15 HA THR 15 8.870 3.291 -6.182
106 HB THR 15 HB THR 15 6.555 4.524 -7.528
107 HG1 THR 15 HG1 THR 15 8.309 3.039 -8.958
108 HG21 THR 15 HG21 THR 15 8.041 6.373 -7.768
109 HG22 THR 15 HG22 THR 15 9.455 5.360 -7.480
110 HG23 THR 15 HG23 THR 15 8.327 5.699 -6.163
111 H VAL 16 HN VAL 16 8.188 3.421 -4.159
112 HA VAL 16 HA VAL 16 5.370 2.781 -3.546
113 HB VAL 16 HB VAL 16 6.101 1.986 -1.391
114 HG11 VAL 16 HG11 VAL 16 6.045 0.400 -3.221
115 HG12 VAL 16 HG12 VAL 16 7.365 0.013 -2.118
116 HG13 VAL 16 HG13 VAL 16 7.705 0.810 -3.654
117 HG21 VAL 16 HG21 VAL 16 8.894 2.642 -2.311
118 HG22 VAL 16 HG22 VAL 16 8.469 1.797 -0.821
119 HG23 VAL 16 HG23 VAL 16 7.988 3.478 -1.050
120 H SER 17 HN SER 17 4.436 3.899 -1.730
121 HA SER 17 HA SER 17 4.973 6.690 -1.867
122 HB2 SER 17 HB2 SER 17 2.681 5.708 -1.563
123 HB3 SER 17 HB3 SER 17 3.152 5.276 0.076
124 HG SER 17 HG SER 17 2.022 7.330 -0.152
125 H ALA 18 HN ALA 18 5.264 8.043 0.134
126 HA ALA 18 HA ALA 18 7.621 7.398 1.449
127 HB1 ALA 18 HB1 ALA 18 6.810 9.672 1.255
128 HB2 ALA 18 HB2 ALA 18 7.148 9.268 2.938
129 HB3 ALA 18 HB3 ALA 18 5.485 9.313 2.360
130 HA PRO 19 HA PRO 19 4.712 6.097 5.326
131 HB2 PRO 19 HB2 PRO 19 2.704 4.759 3.574
132 HB3 PRO 19 HB3 PRO 19 2.489 5.518 5.156
133 HG2 PRO 19 HG2 PRO 19 1.721 6.753 2.928
134 HG3 PRO 19 HG3 PRO 19 2.448 7.656 4.269
135 HD2 PRO 19 HD2 PRO 19 3.605 6.893 1.644
136 HD3 PRO 19 HD3 PRO 19 3.930 8.312 2.650
137 H VAL 20 HN VAL 20 4.846 4.221 2.302
138 HA VAL 20 HA VAL 20 5.404 1.783 3.755
139 HB VAL 20 HB VAL 20 4.134 1.137 1.973
140 HG11 VAL 20 HG11 VAL 20 3.790 3.328 1.061
141 HG12 VAL 20 HG12 VAL 20 4.129 2.185 -0.239
142 HG13 VAL 20 HG13 VAL 20 5.383 3.297 0.308
143 HG21 VAL 20 HG21 VAL 20 6.186 -0.115 1.671
144 HG22 VAL 20 HG22 VAL 20 6.859 1.186 0.690
145 HG23 VAL 20 HG23 VAL 20 5.483 0.257 0.093
146 H PHE 21 HN PHE 21 7.050 4.089 1.689
147 HA PHE 21 HA PHE 21 9.494 2.756 1.358
148 HB2 PHE 21 HB2 PHE 21 8.641 4.793 0.120
149 HB3 PHE 21 HB3 PHE 21 9.095 5.739 1.530
150 HD1 PHE 21 HD1 PHE 21 11.401 6.143 2.065
151 HD2 PHE 21 HD2 PHE 21 10.293 3.821 -1.313
152 HE1 PHE 21 HE1 PHE 21 13.698 6.322 1.198
153 HE2 PHE 21 HE2 PHE 21 12.583 3.978 -2.185
154 HZ PHE 21 HZ PHE 21 14.290 5.238 -0.938
155 H ALA 22 HN ALA 22 8.620 5.346 3.639
156 HA ALA 22 HA ALA 22 11.075 5.402 5.003
157 HB1 ALA 22 HB1 ALA 22 9.437 7.225 5.080
158 HB2 ALA 22 HB2 ALA 22 9.902 6.698 6.697
159 HB3 ALA 22 HB3 ALA 22 8.351 6.205 6.021
160 H ALA 23 HN ALA 23 8.147 3.530 5.484
161 HA ALA 23 HA ALA 23 8.922 2.418 7.986
162 HB1 ALA 23 HB1 ALA 23 7.080 0.888 7.626
163 HB2 ALA 23 HB2 ALA 23 6.944 1.417 5.944
164 HB3 ALA 23 HB3 ALA 23 6.592 2.540 7.257
165 H LEU 24 HN LEU 24 9.096 1.412 4.619
166 HA LEU 24 HA LEU 24 10.278 -1.088 4.890
167 HB2 LEU 24 HB2 LEU 24 9.973 0.960 2.861
168 HB3 LEU 24 HB3 LEU 24 11.501 0.122 2.712
169 HG LEU 24 HG LEU 24 10.488 -1.901 2.177
170 HD11 LEU 24 HD11 LEU 24 8.927 -2.028 4.045
171 HD12 LEU 24 HD12 LEU 24 8.121 -2.406 2.526
172 HD13 LEU 24 HD13 LEU 24 7.894 -0.823 3.276
173 HD21 LEU 24 HD21 LEU 24 8.702 0.273 1.117
174 HD22 LEU 24 HD22 LEU 24 8.860 -1.345 0.433
175 HD23 LEU 24 HD23 LEU 24 10.239 -0.245 0.427
176 H VAL 25 HN VAL 25 11.842 2.098 4.563
177 HA VAL 25 HA VAL 25 14.483 1.212 4.910
178 HB VAL 25 HB VAL 25 13.302 3.887 5.694
179 HG11 VAL 25 HG11 VAL 25 15.448 3.479 6.787
180 HG12 VAL 25 HG12 VAL 25 15.597 4.727 5.548
181 HG13 VAL 25 HG13 VAL 25 16.177 3.091 5.227
182 HG21 VAL 25 HG21 VAL 25 14.693 3.002 3.169
183 HG22 VAL 25 HG22 VAL 25 14.169 4.647 3.534
184 HG23 VAL 25 HG23 VAL 25 12.975 3.364 3.340
185 H THR 26 HN THR 26 11.930 1.710 7.158
186 HA THR 26 HA THR 26 13.509 1.831 9.520
187 HB THR 26 HB THR 26 10.596 1.102 9.121
188 HG1 THR 26 HG1 THR 26 11.350 3.303 8.617
189 HG21 THR 26 HG21 THR 26 10.344 1.515 11.531
190 HG22 THR 26 HG22 THR 26 12.091 1.705 11.678
191 HG23 THR 26 HG23 THR 26 11.410 0.146 11.209
192 H VAL 27 HN VAL 27 12.076 -0.805 7.665
193 HA VAL 27 HA VAL 27 13.041 -2.716 9.673
194 HB VAL 27 HB VAL 27 10.854 -3.329 9.412
195 HG11 VAL 27 HG11 VAL 27 10.295 -1.586 7.792
196 HG12 VAL 27 HG12 VAL 27 9.536 -3.123 7.377
197 HG13 VAL 27 HG13 VAL 27 10.963 -2.579 6.496
198 HG21 VAL 27 HG21 VAL 27 10.633 -5.245 7.964
199 HG22 VAL 27 HG22 VAL 27 12.236 -5.240 8.704
200 HG23 VAL 27 HG23 VAL 27 12.032 -4.724 7.027
201 H TYR 28 HN TYR 28 12.911 -2.281 6.158
202 HA TYR 28 HA TYR 28 14.890 -4.346 5.736
203 HB2 TYR 28 HB2 TYR 28 13.549 -2.495 3.757
204 HB3 TYR 28 HB3 TYR 28 14.482 -3.936 3.362
205 HD1 TYR 28 HD1 TYR 28 13.610 -6.183 4.229
206 HD2 TYR 28 HD2 TYR 28 11.266 -2.642 4.174
207 HE1 TYR 28 HE1 TYR 28 11.569 -7.535 4.424
208 HE2 TYR 28 HE2 TYR 28 9.220 -3.980 4.369
209 HH TYR 28 HH TYR 28 9.278 -7.300 5.168
210 H GLY 29 HN GLY 29 14.670 -0.888 5.856
211 HA2 GLY 29 HA2 GLY 29 16.461 0.564 6.226
212 HA3 GLY 29 HA1 GLY 29 17.565 -0.716 5.746
213 H ALA 30 HN ALA 30 17.878 1.862 4.826
214 HA ALA 30 HA ALA 30 16.738 2.231 2.249
215 HB1 ALA 30 HB1 ALA 30 18.489 3.922 1.942
216 HB2 ALA 30 HB2 ALA 30 19.283 3.365 3.416
217 HB3 ALA 30 HB3 ALA 30 17.681 4.100 3.499
218 H TYR 31 HN TYR 31 19.400 0.452 3.533
219 HA TYR 31 HA TYR 31 20.896 -0.011 1.207
220 HB2 TYR 31 HB2 TYR 31 21.329 -0.548 3.753
221 HB3 TYR 31 HB3 TYR 31 20.629 -2.104 3.324
222 HD1 TYR 31 HD1 TYR 31 23.395 0.221 2.669
223 HD2 TYR 31 HD2 TYR 31 21.866 -3.686 2.008
224 HE1 TYR 31 HE1 TYR 31 25.582 -0.474 1.786
225 HE2 TYR 31 HE2 TYR 31 24.046 -4.393 1.120
226 HH TYR 31 HH TYR 31 26.033 -3.430 0.123
227 H ALA 32 HN ALA 32 18.370 -2.059 2.733
228 HA ALA 32 HA ALA 32 18.352 -3.960 0.661
229 HB1 ALA 32 HB1 ALA 32 16.175 -3.305 2.629
230 HB2 ALA 32 HB2 ALA 32 17.484 -4.459 2.878
231 HB3 ALA 32 HB3 ALA 32 16.267 -4.760 1.637
232 H LEU 33 HN LEU 33 16.383 -1.057 1.243
233 HA LEU 33 HA LEU 33 14.665 -1.437 -0.950
234 HB2 LEU 33 HB2 LEU 33 15.343 0.749 0.886
235 HB3 LEU 33 HB3 LEU 33 14.809 1.286 -0.698
236 HG LEU 33 HG LEU 33 12.733 0.031 -0.441
237 HD11 LEU 33 HD11 LEU 33 12.183 -1.169 1.519
238 HD12 LEU 33 HD12 LEU 33 13.630 -0.611 2.356
239 HD13 LEU 33 HD13 LEU 33 13.771 -1.748 1.016
240 HD21 LEU 33 HD21 LEU 33 12.909 2.351 0.371
241 HD22 LEU 33 HD22 LEU 33 13.321 1.728 1.970
242 HD23 LEU 33 HD23 LEU 33 11.735 1.395 1.274
243 H TYR 34 HN TYR 34 17.842 -0.018 -0.678
244 HA TYR 34 HA TYR 34 17.995 0.978 -3.342
245 HB2 TYR 34 HB2 TYR 34 19.531 1.933 -1.842
246 HB3 TYR 34 HB3 TYR 34 19.979 0.376 -1.162
247 HD1 TYR 34 HD1 TYR 34 20.503 2.707 -3.950
248 HD2 TYR 34 HD2 TYR 34 21.646 -1.004 -2.201
249 HE1 TYR 34 HE1 TYR 34 22.490 2.645 -5.399
250 HE2 TYR 34 HE2 TYR 34 23.636 -1.073 -3.648
251 HH TYR 34 HH TYR 34 24.396 -0.146 -5.778
252 H ARG 35 HN ARG 35 18.628 -2.043 -1.742
253 HA ARG 35 HA ARG 35 20.132 -3.300 -3.768
254 HB2 ARG 35 HB2 ARG 35 18.579 -4.203 -1.394
255 HB3 ARG 35 HB3 ARG 35 19.118 -5.409 -2.556
256 HG2 ARG 35 HG2 ARG 35 21.432 -4.628 -2.214
257 HG3 ARG 35 HG3 ARG 35 20.841 -3.503 -0.990
258 HD2 ARG 35 HD2 ARG 35 20.013 -5.321 0.351
259 HD3 ARG 35 HD3 ARG 35 20.435 -6.488 -0.898
260 HE ARG 35 HE ARG 35 22.759 -5.118 -0.173
261 HH11 ARG 35 HH11 ARG 35 20.441 -7.312 1.263
262 HH12 ARG 35 HH12 ARG 35 21.606 -8.091 2.285
263 HH21 ARG 35 HH21 ARG 35 24.312 -6.151 1.176
264 HH22 ARG 35 HH22 ARG 35 23.805 -7.413 2.254
265 H TYR 36 HN TYR 36 16.696 -3.028 -3.160
266 HA TYR 36 HA TYR 36 16.151 -4.810 -5.417
267 HB2 TYR 36 HB2 TYR 36 14.427 -3.823 -3.152
268 HB3 TYR 36 HB3 TYR 36 13.782 -4.736 -4.514
269 HD1 TYR 36 HD1 TYR 36 14.208 -7.096 -4.730
270 HD2 TYR 36 HD2 TYR 36 15.983 -4.854 -1.589
271 HE1 TYR 36 HE1 TYR 36 14.892 -9.189 -3.624
272 HE2 TYR 36 HE2 TYR 36 16.675 -6.923 -0.478
273 HH TYR 36 HH TYR 36 16.738 -9.882 -1.958
274 H ASN 37 HN ASN 37 16.864 -1.789 -5.277
275 HA ASN 37 HA ASN 37 16.391 0.119 -6.412
276 HB2 ASN 37 HB2 ASN 37 16.591 -1.705 -8.271
277 HB3 ASN 37 HB3 ASN 37 14.853 -1.492 -8.424
278 HD21 ASN 37 HD21 ASN 37 14.044 0.503 -9.110
279 HD22 ASN 37 HD22 ASN 37 15.035 1.642 -9.956
280 H ILE 38 HN ILE 38 14.717 -0.281 -4.347
281 HA ILE 38 HA ILE 38 12.000 0.177 -5.238
282 HB ILE 38 HB ILE 38 13.202 0.139 -2.467
283 HG12 ILE 38 HG12 ILE 38 11.527 -1.893 -3.957
284 HG13 ILE 38 HG11 ILE 38 13.253 -2.020 -3.670
285 HG21 ILE 38 HG21 ILE 38 11.219 1.526 -2.502
286 HG22 ILE 38 HG22 ILE 38 10.870 0.001 -1.687
287 HG23 ILE 38 HG23 ILE 38 10.321 0.263 -3.344
288 HD11 ILE 38 HD11 ILE 38 12.809 -2.061 -1.255
289 HD12 ILE 38 HD12 ILE 38 12.095 -3.414 -2.132
290 HD13 ILE 38 HD13 ILE 38 11.082 -2.065 -1.605
291 H ARG 39 HN ARG 39 11.065 2.077 -5.435
292 HA ARG 39 HA ARG 39 12.736 4.462 -4.962
293 HB2 ARG 39 HB2 ARG 39 10.533 3.906 -6.956
294 HB3 ARG 39 HB3 ARG 39 11.308 5.471 -6.757
295 HG2 ARG 39 HG2 ARG 39 13.266 4.762 -7.701
296 HG3 ARG 39 HG3 ARG 39 12.954 3.057 -7.361
297 HD2 ARG 39 HD2 ARG 39 12.719 3.567 -9.752
298 HD3 ARG 39 HD3 ARG 39 11.195 3.039 -9.044
299 HE ARG 39 HE ARG 39 11.392 5.865 -8.980
300 HH11 ARG 39 HH11 ARG 39 10.833 3.213 -11.201
301 HH12 ARG 39 HH12 ARG 39 9.841 4.155 -12.266
302 HH21 ARG 39 HH21 ARG 39 10.087 7.099 -10.388
303 HH22 ARG 39 HH22 ARG 39 9.415 6.361 -11.805
304 H ARG 40 HN ARG 40 11.534 6.465 -4.461
305 HA ARG 40 HA ARG 40 9.120 5.885 -2.881
306 HB2 ARG 40 HB2 ARG 40 11.172 6.774 -1.671
307 HB3 ARG 40 HB3 ARG 40 10.910 8.285 -2.531
308 HG2 ARG 40 HG2 ARG 40 8.673 8.445 -1.525
309 HG3 ARG 40 HG3 ARG 40 8.987 6.956 -0.632
310 HD2 ARG 40 HD2 ARG 40 9.433 8.745 0.857
311 HD3 ARG 40 HD3 ARG 40 10.993 8.102 0.357
312 HE ARG 40 HE ARG 40 10.052 10.308 -1.229
313 HH11 ARG 40 HH11 ARG 40 11.807 9.398 1.658
314 HH12 ARG 40 HH12 ARG 40 12.773 10.841 1.686
315 HH21 ARG 40 HH21 ARG 40 11.319 12.218 -1.198
316 HH22 ARG 40 HH22 ARG 40 12.489 12.445 0.063
317 H ARG 41 HN ARG 41 7.299 6.896 -3.354
318 HA ARG 41 HA ARG 41 7.378 8.972 -5.457
319 HB2 ARG 41 HB2 ARG 41 5.441 8.016 -6.488
320 HB3 ARG 41 HB3 ARG 41 6.591 6.710 -6.249
321 HG2 ARG 41 HG2 ARG 41 5.352 6.118 -4.156
322 HG3 ARG 41 HG3 ARG 41 4.129 7.298 -4.628
323 HD2 ARG 41 HD2 ARG 41 4.960 4.839 -6.159
324 HD3 ARG 41 HD3 ARG 41 3.441 5.082 -5.300
325 HE ARG 41 HE ARG 41 3.471 7.118 -7.085
326 HH11 ARG 41 HH11 ARG 41 3.924 3.660 -7.389
327 HH12 ARG 41 HH12 ARG 41 3.265 3.583 -8.990
328 HH21 ARG 41 HH21 ARG 41 2.608 7.030 -9.190
329 HH22 ARG 41 HH22 ARG 41 2.516 5.507 -10.021
330 H GLU 42 HN GLU 42 5.417 10.321 -5.521
331 HA GLU 42 HA GLU 42 4.291 10.894 -2.920
332 HB2 GLU 42 HB2 GLU 42 2.892 12.534 -4.242
333 HB3 GLU 42 HB3 GLU 42 4.628 12.803 -4.307
334 HG2 GLU 42 HG2 GLU 42 4.710 11.728 -6.496
335 HG3 GLU 42 HG3 GLU 42 2.974 11.437 -6.416
336 H ASN 43 HN ASN 43 2.172 10.469 -2.314
337 HA ASN 43 HA ASN 43 0.349 9.159 -4.070
338 HB2 ASN 43 HB2 ASN 43 2.062 7.367 -3.579
339 HB3 ASN 43 HB3 ASN 43 1.555 7.440 -1.898
340 HD21 ASN 43 HD21 ASN 43 -0.455 7.643 -4.799
341 HD22 ASN 43 HD22 ASN 43 -1.368 6.220 -4.466
342 H SER 44 HN SER 44 -0.656 11.094 -3.065
343 HA SER 44 HA SER 44 -1.628 10.846 -0.376
344 HB2 SER 44 HB2 SER 44 -1.382 13.050 -1.488
345 HB3 SER 44 HB3 SER 44 -2.614 12.588 -2.658
346 HG SER 44 HG SER 44 -4.118 12.492 -0.972
347 H TYR 45 HN TYR 45 -2.473 9.684 -3.466
348 HA TYR 45 HA TYR 45 -5.086 8.730 -2.586
349 HB2 TYR 45 HB2 TYR 45 -5.387 8.022 -4.930
350 HB3 TYR 45 HB3 TYR 45 -4.986 9.728 -4.816
351 HD1 TYR 45 HD1 TYR 45 -4.055 6.535 -6.196
352 HD2 TYR 45 HD2 TYR 45 -2.625 10.451 -5.314
353 HE1 TYR 45 HE1 TYR 45 -2.192 6.222 -7.781
354 HE2 TYR 45 HE2 TYR 45 -0.760 10.141 -6.872
355 HH TYR 45 HH TYR 45 -0.643 7.610 -9.123
356 H GLN 46 HN GLN 46 -5.137 6.378 -4.133
357 HA GLN 46 HA GLN 46 -3.466 4.673 -2.448
358 HB2 GLN 46 HB2 GLN 46 -4.995 2.917 -2.869
359 HB3 GLN 46 HB3 GLN 46 -5.977 4.350 -2.615
360 HG2 GLN 46 HG2 GLN 46 -5.266 3.206 -5.309
361 HG3 GLN 46 HG1 GLN 46 -6.773 2.906 -4.454
362 HE21 GLN 46 HE21 GLN 46 -7.000 5.614 -3.461
363 HE22 GLN 46 HE22 GLN 46 -7.458 6.592 -4.815
364 H ARG 47 HN ARG 47 -1.643 3.826 -3.240
365 HA ARG 47 HA ARG 47 -1.647 2.497 -5.769
366 HB2 ARG 47 HB2 ARG 47 -1.157 4.980 -6.302
367 HB3 ARG 47 HB3 ARG 47 0.406 4.690 -5.553
368 HG2 ARG 47 HG2 ARG 47 0.600 4.461 -7.940
369 HG3 ARG 47 HG3 ARG 47 0.819 2.882 -7.180
370 HD2 ARG 47 HD2 ARG 47 -1.519 2.327 -7.689
371 HD3 ARG 47 HD3 ARG 47 -1.717 3.897 -8.464
372 HE ARG 47 HE ARG 47 0.384 2.762 -9.776
373 HH11 ARG 47 HH11 ARG 47 -2.913 1.802 -9.107
374 HH12 ARG 47 HH12 ARG 47 -3.066 0.845 -10.547
375 HH21 ARG 47 HH21 ARG 47 0.184 1.507 -11.685
376 HH22 ARG 47 HH22 ARG 47 -1.305 0.677 -12.007
377 H ILE 48 HN ILE 48 -1.364 1.222 -3.606
378 HA ILE 48 HA ILE 48 1.482 1.008 -2.924
379 HB ILE 48 HB ILE 48 -0.813 -0.428 -1.597
380 HG12 ILE 48 HG12 ILE 48 -1.167 2.005 -1.404
381 HG13 ILE 48 HG11 ILE 48 -0.777 1.285 0.151
382 HG21 ILE 48 HG21 ILE 48 1.512 -1.303 -1.335
383 HG22 ILE 48 HG22 ILE 48 0.721 -0.863 0.172
384 HG23 ILE 48 HG23 ILE 48 1.931 0.210 -0.531
385 HD11 ILE 48 HD11 ILE 48 1.095 2.852 -1.610
386 HD12 ILE 48 HD12 ILE 48 1.525 2.102 -0.073
387 HD13 ILE 48 HD13 ILE 48 0.338 3.408 -0.115
388 H ARG 49 HN ARG 49 2.656 -0.686 -3.634
389 HA ARG 49 HA ARG 49 1.469 -2.647 -5.348
390 HB2 ARG 49 HB2 ARG 49 4.263 -2.268 -4.294
391 HB3 ARG 49 HB3 ARG 49 3.815 -3.635 -5.308
392 HG2 ARG 49 HG2 ARG 49 3.504 -0.748 -6.059
393 HG3 ARG 49 HG3 ARG 49 4.822 -1.796 -6.590
394 HD2 ARG 49 HD2 ARG 49 1.889 -1.994 -7.238
395 HD3 ARG 49 HD3 ARG 49 3.231 -1.746 -8.352
396 HE ARG 49 HE ARG 49 3.912 -4.097 -7.585
397 HH11 ARG 49 HH11 ARG 49 0.602 -2.987 -7.883
398 HH12 ARG 49 HH12 ARG 49 -0.033 -4.569 -8.209
399 HH21 ARG 49 HH21 ARG 49 3.072 -6.182 -8.019
400 HH22 ARG 49 HH22 ARG 49 1.372 -6.383 -8.283
401 H SER 50 HN SER 50 -0.055 -3.460 -3.859
402 HA SER 50 HA SER 50 0.916 -5.061 -1.639
403 HB2 SER 50 HB2 SER 50 -1.905 -4.860 -2.677
404 HB3 SER 50 HB3 SER 50 -1.377 -5.313 -1.056
405 HG SER 50 HG SER 50 -0.769 -2.787 -2.175
406 H ASP 51 HN ASP 51 -0.939 -7.152 -1.714
407 HA ASP 51 HA ASP 51 0.599 -8.979 -3.301
408 HB2 ASP 51 HB2 ASP 51 -0.445 -9.285 -0.927
409 HB3 ASP 51 HB3 ASP 51 -1.878 -9.768 -1.811
410 H HIS 52 HN HIS 52 -1.558 -10.888 -3.703
411 HA HIS 52 HA HIS 52 -2.249 -9.969 -6.369
412 HB2 HIS 52 HB2 HIS 52 -2.353 -12.646 -5.000
413 HB3 HIS 52 HB3 HIS 52 -3.003 -12.384 -6.612
414 HD1 HIS 52 HD1 HIS 52 -1.322 -12.031 -8.530
415 HD2 HIS 52 HD2 HIS 52 0.443 -12.641 -4.819
416 HE1 HIS 52 HE1 HIS 52 1.113 -12.436 -9.001
417 HE2 HIS 52 HE2 HIS 52 2.187 -12.583 -6.725
418 H ASP 53 HN ASP 53 -3.894 -10.846 -3.372
419 HA ASP 53 HA ASP 53 -6.507 -10.933 -4.515
420 HB2 ASP 53 HB2 ASP 53 -5.814 -10.320 -1.637
421 HB3 ASP 53 HB3 ASP 53 -7.366 -10.855 -2.257
422 H SER 54 HN SER 54 -4.371 -8.469 -3.957
423 HA SER 54 HA SER 54 -6.113 -6.334 -3.341
424 HB2 SER 54 HB2 SER 54 -3.386 -6.513 -4.550
425 HB3 SER 54 HB3 SER 54 -4.185 -4.970 -4.294
426 HG SER 54 HG SER 54 -4.303 -5.487 -2.084
427 H HIS 55 HN HIS 55 -6.695 -4.602 -4.732
428 HA HIS 55 HA HIS 55 -6.577 -4.645 -7.502
429 HB2 HIS 55 HB2 HIS 55 -8.960 -5.194 -8.081
430 HB3 HIS 55 HB3 HIS 55 -7.950 -6.561 -7.662
431 HD1 HIS 55 HD1 HIS 55 -11.168 -5.054 -6.930
432 HD2 HIS 55 HD2 HIS 55 -8.471 -7.514 -4.936
433 HE1 HIS 55 HE1 HIS 55 -12.491 -6.174 -5.116
434 HE2 HIS 55 HE2 HIS 55 -10.909 -7.873 -4.142
435 H SER 56 HN SER 56 -8.266 -3.213 -8.512
436 HA SER 56 HA SER 56 -8.469 -0.859 -6.856
437 HB2 SER 56 HB2 SER 56 -9.179 -1.280 -9.730
438 HB3 SER 56 HB3 SER 56 -9.099 0.276 -8.924
439 HG SER 56 HG SER 56 -6.993 -1.528 -9.492
440 H CYS 57 HN CYS 57 -10.181 -0.411 -5.680
441 HA CYS 57 HA CYS 57 -12.846 -1.234 -6.656
442 HB2 CYS 57 HB2 CYS 57 -13.563 -1.313 -4.325
443 HB3 CYS 57 HB3 CYS 57 -12.201 -2.396 -4.581
444 H ALA 58 HN ALA 58 -14.550 0.297 -5.469
445 HA ALA 58 HA ALA 58 -15.495 2.356 -5.362
446 HB1 ALA 58 HB1 ALA 58 -12.729 3.250 -4.544
447 HB2 ALA 58 HB2 ALA 58 -13.959 2.600 -3.459
448 HB3 ALA 58 HB3 ALA 58 -14.233 4.134 -4.284
449 H ASN 59 HN ASN 59 -14.488 1.477 -7.886
450 HA ASN 59 HA ASN 59 -14.144 2.183 -10.006
451 HB2 ASN 59 HB2 ASN 59 -14.891 4.882 -8.859
452 HB3 ASN 59 HB3 ASN 59 -14.679 4.553 -10.574
453 HD21 ASN 59 HD21 ASN 59 -16.177 3.221 -11.637
454 HD22 ASN 59 HD22 ASN 59 -17.747 2.924 -10.975
455 H ASN 60 HN ASN 60 -11.991 1.751 -8.501
456 HA ASN 60 HA ASN 60 -9.779 2.077 -8.239
457 HB2 ASN 60 HB2 ASN 60 -9.865 2.117 -10.727
458 HB3 ASN 60 HB3 ASN 60 -9.992 3.870 -10.661
459 HD21 ASN 60 HD21 ASN 60 -7.986 2.058 -8.425
460 HD22 ASN 60 HD22 ASN 60 -6.477 2.592 -9.067
461 H ARG 61 HN ARG 61 -11.352 3.574 -6.628
462 HA ARG 61 HA ARG 61 -9.565 5.876 -6.213
463 HB2 ARG 61 HB2 ARG 61 -12.475 5.646 -5.415
464 HB3 ARG 61 HB3 ARG 61 -11.411 6.975 -4.979
465 HG2 ARG 61 HG2 ARG 61 -11.127 7.500 -7.370
466 HG3 ARG 61 HG3 ARG 61 -12.265 6.209 -7.761
467 HD2 ARG 61 HD2 ARG 61 -12.846 8.665 -6.116
468 HD3 ARG 61 HD3 ARG 61 -13.381 8.365 -7.768
469 HE ARG 61 HE ARG 61 -14.393 6.251 -6.441
470 HH11 ARG 61 HH11 ARG 61 -14.492 9.697 -5.849
471 HH12 ARG 61 HH12 ARG 61 -16.023 9.652 -5.036
472 HH21 ARG 61 HH21 ARG 61 -16.425 6.184 -5.375
473 HH22 ARG 61 HH22 ARG 61 -17.121 7.653 -4.768
474 H GLY 62 HN GLY 62 -9.810 2.931 -5.458
475 HA2 GLY 62 HA2 GLY 62 -8.682 3.254 -2.834
476 HA3 GLY 62 HA1 GLY 62 -10.223 2.410 -2.838
477 H TRP 63 HN TRP 63 -6.931 1.948 -2.985
478 HA TRP 63 HA TRP 63 -7.090 -0.483 -4.552
479 HB2 TRP 63 HB2 TRP 63 -4.993 0.902 -4.492
480 HB3 TRP 63 HB3 TRP 63 -4.782 0.433 -2.806
481 HD1 TRP 63 HD1 TRP 63 -3.648 -1.817 -2.326
482 HE1 TRP 63 HE1 TRP 63 -2.799 -3.759 -3.762
483 HE3 TRP 63 HE3 TRP 63 -5.550 -0.354 -6.826
484 HZ2 TRP 63 HZ2 TRP 63 -2.901 -4.558 -6.491
485 HZ3 TRP 63 HZ3 TRP 63 -5.136 -1.747 -8.795
486 HH2 TRP 63 HH2 TRP 63 -3.844 -3.809 -8.638
487 H CYS 64 HN CYS 64 -7.695 -2.381 -3.807
488 HA CYS 64 HA CYS 64 -8.392 -2.871 -1.117
489 HB2 CYS 64 HB2 CYS 64 -7.918 -4.751 -3.416
490 HB3 CYS 64 HB3 CYS 64 -8.543 -5.265 -1.863
491 H ARG 65 HN ARG 65 -7.146 -3.252 0.542
492 HA ARG 65 HA ARG 65 -4.652 -4.762 0.168
493 HB2 ARG 65 HB2 ARG 65 -5.029 -2.213 1.745
494 HB3 ARG 65 HB3 ARG 65 -3.664 -3.291 1.976
495 HG2 ARG 65 HG2 ARG 65 -3.082 -2.968 -0.417
496 HG3 ARG 65 HG3 ARG 65 -4.348 -1.738 -0.494
497 HD2 ARG 65 HD2 ARG 65 -1.849 -1.075 0.023
498 HD3 ARG 65 HD3 ARG 65 -3.188 -0.262 0.831
499 HE ARG 65 HE ARG 65 -2.542 -1.201 2.809
500 HH11 ARG 65 HH11 ARG 65 -0.893 -2.897 0.217
501 HH12 ARG 65 HH12 ARG 65 0.183 -3.731 1.295
502 HH21 ARG 65 HH21 ARG 65 -1.134 -2.301 4.210
503 HH22 ARG 65 HH22 ARG 65 0.044 -3.401 3.562
504 HA PRO 66 HA PRO 66 -6.018 -6.941 3.823
505 HB2 PRO 66 HB2 PRO 66 -3.406 -7.181 4.996
506 HB3 PRO 66 HB3 PRO 66 -4.314 -8.395 4.100
507 HG2 PRO 66 HG2 PRO 66 -1.997 -7.182 3.220
508 HG3 PRO 66 HG3 PRO 66 -3.183 -7.986 2.181
509 HD2 PRO 66 HD2 PRO 66 -2.746 -5.083 2.674
510 HD3 PRO 66 HD3 PRO 66 -3.293 -5.914 1.203
511 H THR 67 HN THR 67 -3.935 -4.185 4.188
512 HA THR 67 HA THR 67 -5.453 -3.251 6.454
513 HB THR 67 HB THR 67 -2.459 -3.393 6.805
514 HG1 THR 67 HG1 THR 67 -4.403 -5.353 7.289
515 HG21 THR 67 HG21 THR 67 -4.738 -2.990 8.744
516 HG22 THR 67 HG22 THR 67 -3.681 -1.725 8.115
517 HG23 THR 67 HG23 THR 67 -3.025 -2.989 9.153
518 H CYS 68 HN CYS 68 -5.185 -0.969 6.731
519 HA CYS 68 HA CYS 68 -4.275 0.247 4.227
520 HB2 CYS 68 HB2 CYS 68 -6.208 1.198 6.339
521 HB3 CYS 68 HB3 CYS 68 -5.787 2.112 4.897
522 H PHE 69 HN PHE 69 -3.196 2.271 4.198
523 HA PHE 69 HA PHE 69 -1.431 2.692 6.508
524 HB2 PHE 69 HB2 PHE 69 -1.348 3.856 3.719
525 HB3 PHE 69 HB3 PHE 69 -0.165 4.176 4.980
526 HD1 PHE 69 HD1 PHE 69 1.270 2.319 5.803
527 HD2 PHE 69 HD2 PHE 69 -1.243 1.938 2.399
528 HE1 PHE 69 HE1 PHE 69 2.568 0.368 5.070
529 HE2 PHE 69 HE2 PHE 69 0.038 -0.013 1.666
530 HZ PHE 69 HZ PHE 69 1.947 -0.809 2.989
531 H SER 70 HN SER 70 -0.881 4.989 7.004
532 HA SER 70 HA SER 70 -3.297 6.486 7.469
533 HB2 SER 70 HB2 SER 70 -1.621 8.091 8.573
534 HB3 SER 70 HB3 SER 70 -1.772 6.481 9.277
535 HG SER 70 HG SER 70 0.287 7.513 7.634
536 H HIS 71 HN HIS 71 -4.057 7.222 5.560
537 HA HIS 71 HA HIS 71 -3.504 9.448 4.264
538 HB2 HIS 71 HB2 HIS 71 -1.944 9.230 2.526
539 HB3 HIS 71 HB3 HIS 71 -1.137 8.399 3.843
540 HD1 HIS 71 HD1 HIS 71 -0.608 7.949 0.744
541 HD2 HIS 71 HD2 HIS 71 -2.919 5.536 3.194
542 HE1 HIS 71 HE1 HIS 71 -0.623 5.689 -0.354
543 HE2 HIS 71 HE2 HIS 71 -2.273 4.346 1.004
544 H GLU 72 HN GLU 72 -4.371 6.234 4.373
545 HA GLU 72 HA GLU 72 -6.697 6.763 2.680
546 HB2 GLU 72 HB2 GLU 72 -6.617 4.491 1.809
547 HB3 GLU 72 HB3 GLU 72 -5.089 5.304 1.456
548 HG2 GLU 72 HG2 GLU 72 -4.390 4.190 3.747
549 HG3 GLU 72 HG3 GLU 72 -5.675 3.072 3.312
550 H TYR 73 HN TYR 73 -8.375 4.917 3.240
551 HA TYR 73 HA TYR 73 -8.198 4.123 6.043
552 HB2 TYR 73 HB2 TYR 73 -10.497 4.990 6.476
553 HB3 TYR 73 HB3 TYR 73 -9.312 6.260 6.202
554 HD1 TYR 73 HD1 TYR 73 -11.992 4.315 4.498
555 HD2 TYR 73 HD2 TYR 73 -9.680 7.885 4.586
556 HE1 TYR 73 HE1 TYR 73 -13.435 5.261 2.752
557 HE2 TYR 73 HE2 TYR 73 -11.108 8.853 2.835
558 HH TYR 73 HH TYR 73 -12.599 8.005 0.991
559 H THR 74 HN THR 74 -10.260 2.844 6.603
560 HA THR 74 HA THR 74 -10.495 0.776 4.593
561 HB THR 74 HB THR 74 -11.637 0.905 7.394
562 HG1 THR 74 HG1 THR 74 -9.183 0.745 6.847
563 HG21 THR 74 HG21 THR 74 -11.391 -1.402 5.465
564 HG22 THR 74 HG22 THR 74 -12.890 -0.620 5.962
565 HG23 THR 74 HG23 THR 74 -11.933 -1.526 7.137
566 H ASP 75 HN ASP 75 -11.836 1.548 3.000
567 HA ASP 75 HA ASP 75 -14.471 2.528 3.653
568 HB2 ASP 75 HB2 ASP 75 -13.322 3.226 1.561
569 HB3 ASP 75 HB3 ASP 75 -13.386 1.565 0.992
570 H TRP 76 HN TRP 76 -15.991 1.252 4.363
571 HA TRP 76 HA TRP 76 -15.651 -1.595 4.322
572 HB2 TRP 76 HB2 TRP 76 -17.676 0.232 5.581
573 HB3 TRP 76 HB3 TRP 76 -17.822 -1.522 5.656
574 HD1 TRP 76 HD1 TRP 76 -15.917 1.368 7.179
575 HE1 TRP 76 HE1 TRP 76 -14.377 0.490 9.046
576 HE3 TRP 76 HE3 TRP 76 -16.395 -3.639 6.310
577 HZ2 TRP 76 HZ2 TRP 76 -13.480 -2.012 10.009
578 HZ3 TRP 76 HZ3 TRP 76 -15.158 -5.207 7.735
579 HH2 TRP 76 HH2 TRP 76 -13.729 -4.412 9.545
580 H PHE 77 HN PHE 77 -17.479 0.692 2.477
581 HA PHE 77 HA PHE 77 -19.489 -1.115 1.569
582 HB2 PHE 77 HB2 PHE 77 -19.857 1.258 1.302
583 HB3 PHE 77 HB3 PHE 77 -18.389 1.425 0.344
584 HD1 PHE 77 HD1 PHE 77 -21.642 -0.384 0.339
585 HD2 PHE 77 HD2 PHE 77 -18.549 1.420 -1.956
586 HE1 PHE 77 HE1 PHE 77 -22.940 -0.777 -1.712
587 HE2 PHE 77 HE2 PHE 77 -19.843 1.033 -4.011
588 HZ PHE 77 HZ PHE 77 -22.042 -0.068 -3.891
589 H ASN 78 HN ASN 78 -16.471 0.055 0.136
590 HA ASN 78 HA ASN 78 -16.583 -1.905 -1.971
591 HB2 ASN 78 HB2 ASN 78 -14.437 0.053 -1.153
592 HB3 ASN 78 HB3 ASN 78 -14.339 -0.991 -2.567
593 HD21 ASN 78 HD21 ASN 78 -15.906 1.753 -1.129
594 HD22 ASN 78 HD22 ASN 78 -16.633 2.343 -2.588
595 H ASN 79 HN ASN 79 -15.546 -1.869 1.236
596 HA ASN 79 HA ASN 79 -13.542 -3.849 1.213
597 HB2 ASN 79 HB2 ASN 79 -14.350 -2.430 3.171
598 HB3 ASN 79 HB3 ASN 79 -15.715 -3.529 3.296
599 HD21 ASN 79 HD21 ASN 79 -13.702 -2.921 5.227
600 HD22 ASN 79 HD22 ASN 79 -12.914 -4.404 5.622
601 H ASP 80 HN ASP 80 -16.969 -3.909 0.738
602 HA ASP 80 HA ASP 80 -17.236 -6.755 1.200
603 HB2 ASP 80 HB2 ASP 80 -19.089 -5.382 1.885
604 HB3 ASP 80 HB3 ASP 80 -19.177 -4.619 0.301
605 H VAL 81 HN VAL 81 -16.881 -4.504 -1.437
606 HA VAL 81 HA VAL 81 -17.481 -6.418 -3.477
607 HB VAL 81 HB VAL 81 -16.885 -4.829 -5.045
608 HG11 VAL 81 HG11 VAL 81 -18.831 -4.114 -3.888
609 HG12 VAL 81 HG12 VAL 81 -17.867 -2.691 -4.286
610 HG13 VAL 81 HG13 VAL 81 -17.858 -3.334 -2.644
611 HG21 VAL 81 HG21 VAL 81 -14.604 -4.374 -4.291
612 HG22 VAL 81 HG22 VAL 81 -15.246 -3.328 -3.024
613 HG23 VAL 81 HG23 VAL 81 -15.461 -2.893 -4.722
614 H CYS 82 HN CYS 82 -14.817 -5.811 -1.483
615 HA CYS 82 HA CYS 82 -12.939 -7.200 -3.221
616 HB2 CYS 82 HB2 CYS 82 -12.573 -6.003 -0.470
617 HB3 CYS 82 HB3 CYS 82 -11.290 -6.722 -1.440
618 H GLY 83 HN GLY 83 -14.686 -7.673 -0.196
619 HA2 GLY 83 HA2 GLY 83 -15.402 -9.747 0.623
620 HA3 GLY 83 HA1 GLY 83 -14.299 -10.543 -0.490
621 H SER 84 HN SER 84 -12.055 -10.671 0.067
622 HA SER 84 HA SER 84 -11.685 -11.045 2.901
623 HB2 SER 84 HB2 SER 84 -10.769 -12.642 1.226
624 HB3 SER 84 HB3 SER 84 -9.680 -11.379 0.655
625 HG SER 84 HG SER 84 -9.763 -12.416 3.302
626 H TYR 85 HN TYR 85 -10.106 -9.066 0.388
627 HA TYR 85 HA TYR 85 -8.602 -7.568 2.306
628 HB2 TYR 85 HB2 TYR 85 -8.998 -7.475 -0.647
629 HB3 TYR 85 HB3 TYR 85 -8.365 -6.036 0.155
630 HD1 TYR 85 HD1 TYR 85 -6.396 -6.541 -1.435
631 HD2 TYR 85 HD2 TYR 85 -7.447 -9.032 1.855
632 HE1 TYR 85 HE1 TYR 85 -4.156 -7.471 -1.427
633 HE2 TYR 85 HE2 TYR 85 -5.185 -9.977 1.864
634 HH TYR 85 HH TYR 85 -3.298 -10.265 0.321
635 H ARG 86 HN ARG 86 -8.757 -5.316 2.679
636 HA ARG 86 HA ARG 86 -11.526 -4.343 2.650
637 HB2 ARG 86 HB2 ARG 86 -10.912 -2.909 4.483
638 HB3 ARG 86 HB3 ARG 86 -10.359 -4.531 4.858
639 HG2 ARG 86 HG2 ARG 86 -8.087 -3.809 3.998
640 HG3 ARG 86 HG3 ARG 86 -8.719 -2.161 4.010
641 HD2 ARG 86 HD2 ARG 86 -7.559 -2.515 6.070
642 HD3 ARG 86 HD3 ARG 86 -9.286 -2.480 6.424
643 HE ARG 86 HE ARG 86 -8.475 -5.136 5.970
644 HH11 ARG 86 HH11 ARG 86 -8.165 -2.603 8.364
645 HH12 ARG 86 HH12 ARG 86 -7.942 -3.707 9.680
646 HH21 ARG 86 HH21 ARG 86 -8.166 -6.586 7.700
647 HH22 ARG 86 HH22 ARG 86 -7.937 -5.968 9.305
648 H CYS 87 HN CYS 87 -11.926 -2.144 1.971
649 HA CYS 87 HA CYS 87 -10.217 -1.495 -0.272
650 HB2 CYS 87 HB2 CYS 87 -12.660 -1.468 -0.524
651 HB3 CYS 87 HB3 CYS 87 -12.768 -0.194 0.685
652 H CYS 88 HN CYS 88 -8.555 -0.171 -0.094
653 HA CYS 88 HA CYS 88 -8.482 1.706 2.137
654 HB2 CYS 88 HB2 CYS 88 -6.328 0.742 0.249
655 HB3 CYS 88 HB3 CYS 88 -6.069 1.916 1.538
656 H ARG 89 HN ARG 89 -9.699 3.385 1.544
657 HA ARG 89 HA ARG 89 -9.175 4.721 -1.012
658 HB2 ARG 89 HB2 ARG 89 -11.437 4.802 0.959
659 HB3 ARG 89 HB3 ARG 89 -11.234 6.091 -0.220
660 HG2 ARG 89 HG2 ARG 89 -11.323 4.390 -2.017
661 HG3 ARG 89 HG3 ARG 89 -11.656 3.167 -0.788
662 HD2 ARG 89 HD2 ARG 89 -13.706 3.934 -1.851
663 HD3 ARG 89 HD3 ARG 89 -13.678 4.353 -0.141
664 HE ARG 89 HE ARG 89 -12.744 6.425 -1.931
665 HH11 ARG 89 HH11 ARG 89 -15.453 5.097 -0.140
666 HH12 ARG 89 HH12 ARG 89 -16.391 6.556 -0.244
667 HH21 ARG 89 HH21 ARG 89 -13.969 8.336 -2.067
668 HH22 ARG 89 HH22 ARG 89 -15.545 8.402 -1.343
669 HA PRO 90 HA PRO 90 -6.513 7.713 0.748
670 HB2 PRO 90 HB2 PRO 90 -7.963 9.632 -1.018
671 HB3 PRO 90 HB3 PRO 90 -6.226 9.335 -0.862
672 HG2 PRO 90 HG2 PRO 90 -7.502 8.363 -2.944
673 HG3 PRO 90 HG3 PRO 90 -6.334 7.339 -2.075
674 HD2 PRO 90 HD2 PRO 90 -9.329 7.329 -1.925
675 HD3 PRO 90 HD3 PRO 90 -8.200 5.962 -2.026
676 H GLY 91 HN GLY 91 -6.607 8.691 2.610
677 HA2 GLY 91 HA2 GLY 91 -7.687 10.850 3.557
678 HA3 GLY 91 HA1 GLY 91 -9.140 9.864 3.493
679 H ARG 92 HN ARG 92 -9.523 9.756 5.630
680 HA ARG 92 HA ARG 92 -8.285 7.755 7.150
681 HB2 ARG 92 HB2 ARG 92 -6.528 9.627 7.141
682 HB3 ARG 92 HB3 ARG 92 -7.643 10.510 8.170
683 HG2 ARG 92 HG2 ARG 92 -7.531 8.737 9.832
684 HG3 ARG 92 HG3 ARG 92 -6.428 7.832 8.793
685 HD2 ARG 92 HD2 ARG 92 -5.216 9.054 10.536
686 HD3 ARG 92 HD3 ARG 92 -4.798 9.639 8.928
687 HE ARG 92 HE ARG 92 -6.817 11.051 10.532
688 HH11 ARG 92 HH11 ARG 92 -3.701 11.035 8.923
689 HH12 ARG 92 HH12 ARG 92 -3.492 12.750 9.048
690 HH21 ARG 92 HH21 ARG 92 -6.529 13.311 10.686
691 HH22 ARG 92 HH22 ARG 92 -5.096 14.039 10.033
692 H AAR 93 HN AAR 93 -10.886 8.522 6.445
693 HA AAR 93 HA AAR 93 -12.120 9.915 8.608
694 HB2 AAR 93 HB2 AAR 93 -14.232 9.398 7.461
695 HB3 AAR 93 HB3 AAR 93 -13.054 10.139 6.399
696 HG2 AAR 93 HG2 AAR 93 -12.547 7.944 5.441
697 HG3 AAR 93 HG3 AAR 93 -13.757 7.214 6.500
698 HD2 AAR 93 HD2 AAR 93 -14.297 9.337 4.422
699 HD3 AAR 93 HD3 AAR 93 -14.617 7.615 4.225
700 HE AAR 93 HE AAR 93 -15.949 8.411 6.524
701 HH11 AAR 93 HH21 AAR 93 -18.177 8.921 6.532
702 HH12 AAR 93 HH22 AAR 93 -18.945 9.436 5.063
703 HH21 AAR 93 HH11 AAR 93 -16.039 9.192 3.111
704 HH22 AAR 93 HH12 AAR 93 -17.727 9.580 3.114
705 HNT1 AAR 93 HNT1 AAR 93 -11.767 8.847 10.504
706 HNT2 AAR 93 HNT2 AAR 93 -12.411 7.266 10.855
Start of MODEL 8
1 H PCA 1 HT1 PCA 1 0.223 -0.237 11.465
2 HA PCA 1 HA PCA 1 -0.698 -1.752 9.345
3 HB2 PCA 1 HB2 PCA 1 -0.235 0.928 8.304
4 HB3 PCA 1 HB3 PCA 1 -1.576 -0.180 7.976
5 HG2 PCA 1 HG2 PCA 1 -1.566 2.091 9.742
6 HG3 PCA 1 HG3 PCA 1 -2.895 0.932 9.464
7 HT2 PCA 1 HT2 PCA 1 -0.864 -1.395 11.438
8 H ALA 2 HN ALA 2 0.966 -0.996 7.428
9 HA ALA 2 HA ALA 2 3.132 -0.967 6.718
10 HB1 ALA 2 HB1 ALA 2 3.586 0.515 9.314
11 HB2 ALA 2 HB2 ALA 2 3.262 1.228 7.733
12 HB3 ALA 2 HB3 ALA 2 4.767 0.356 8.016
13 H GLN 3 HN GLN 3 5.510 -1.465 7.781
14 HA GLN 3 HA GLN 3 6.926 -2.983 8.578
15 HB2 GLN 3 HB2 GLN 3 5.987 -2.353 10.743
16 HB3 GLN 3 HB3 GLN 3 4.724 -3.564 10.549
17 HG2 GLN 3 HG2 GLN 3 6.442 -4.405 11.982
18 HG3 GLN 3 HG1 GLN 3 6.422 -5.297 10.463
19 HE21 GLN 3 HE21 GLN 3 8.167 -3.033 12.421
20 HE22 GLN 3 HE22 GLN 3 9.655 -3.124 11.544
21 H ALA 4 HN ALA 4 7.552 -5.009 8.136
22 HA ALA 4 HA ALA 4 7.563 -6.957 6.966
23 HB1 ALA 4 HB1 ALA 4 5.040 -7.441 8.547
24 HB2 ALA 4 HB2 ALA 4 6.683 -7.705 9.130
25 HB3 ALA 4 HB3 ALA 4 6.054 -8.674 7.799
26 H LEU 5 HN LEU 5 6.924 -5.312 5.184
27 HA LEU 5 HA LEU 5 4.320 -5.882 4.013
28 HB2 LEU 5 HB2 LEU 5 6.548 -4.147 2.923
29 HB3 LEU 5 HB3 LEU 5 4.920 -4.250 2.297
30 HG LEU 5 HG LEU 5 4.931 -2.238 3.430
31 HD11 LEU 5 HD11 LEU 5 3.503 -2.508 5.379
32 HD12 LEU 5 HD12 LEU 5 3.907 -4.222 5.446
33 HD13 LEU 5 HD13 LEU 5 3.011 -3.581 4.069
34 HD21 LEU 5 HD21 LEU 5 7.109 -2.524 4.515
35 HD22 LEU 5 HD22 LEU 5 6.351 -3.534 5.747
36 HD23 LEU 5 HD23 LEU 5 5.905 -1.833 5.601
37 H LEU 6 HN LEU 6 4.867 -5.856 1.337
38 HA LEU 6 HA LEU 6 5.743 -8.354 0.573
39 HB2 LEU 6 HB2 LEU 6 5.779 -5.701 -0.859
40 HB3 LEU 6 HB3 LEU 6 6.320 -7.175 -1.643
41 HG LEU 6 HG LEU 6 4.066 -6.667 -2.326
42 HD11 LEU 6 HD11 LEU 6 4.650 -9.019 -2.073
43 HD12 LEU 6 HD12 LEU 6 2.943 -8.737 -1.729
44 HD13 LEU 6 HD13 LEU 6 4.078 -8.988 -0.404
45 HD21 LEU 6 HD21 LEU 6 3.286 -6.800 0.581
46 HD22 LEU 6 HD22 LEU 6 2.218 -6.507 -0.794
47 HD23 LEU 6 HD23 LEU 6 3.446 -5.319 -0.362
48 HA PRO 7 HA PRO 7 10.198 -8.403 0.919
49 HB2 PRO 7 HB2 PRO 7 10.685 -9.623 -1.538
50 HB3 PRO 7 HB3 PRO 7 10.388 -10.465 -0.024
51 HG2 PRO 7 HG2 PRO 7 8.504 -9.822 -2.227
52 HG3 PRO 7 HG3 PRO 7 8.608 -11.295 -1.249
53 HD2 PRO 7 HD2 PRO 7 6.705 -9.489 -0.813
54 HD3 PRO 7 HD3 PRO 7 7.509 -10.302 0.550
55 H ILE 8 HN ILE 8 11.982 -7.382 0.070
56 HA ILE 8 HA ILE 8 11.561 -4.961 -1.236
57 HB ILE 8 HB ILE 8 14.191 -5.283 -1.680
58 HG12 ILE 8 HG12 ILE 8 15.168 -6.506 0.223
59 HG13 ILE 8 HG11 ILE 8 13.567 -7.043 0.703
60 HG21 ILE 8 HG21 ILE 8 14.501 -4.177 0.497
61 HG22 ILE 8 HG22 ILE 8 12.830 -4.581 0.911
62 HG23 ILE 8 HG23 ILE 8 13.169 -3.502 -0.441
63 HD11 ILE 8 HD11 ILE 8 14.807 -8.790 -0.458
64 HD12 ILE 8 HD12 ILE 8 14.953 -7.746 -1.875
65 HD13 ILE 8 HD13 ILE 8 13.367 -8.318 -1.359
66 H ALA 9 HN ALA 9 11.996 -8.090 -2.572
67 HA ALA 9 HA ALA 9 12.908 -7.221 -5.137
68 HB1 ALA 9 HB1 ALA 9 11.591 -9.811 -4.348
69 HB2 ALA 9 HB2 ALA 9 13.326 -9.491 -4.353
70 HB3 ALA 9 HB3 ALA 9 12.423 -9.488 -5.868
71 H SER 10 HN SER 10 9.830 -7.582 -3.559
72 HA SER 10 HA SER 10 8.229 -7.571 -5.907
73 HB2 SER 10 HB2 SER 10 7.554 -6.771 -3.073
74 HB3 SER 10 HB3 SER 10 6.374 -7.028 -4.358
75 HG SER 10 HG SER 10 6.470 -9.067 -3.930
76 H TYR 11 HN TYR 11 9.968 -5.087 -4.292
77 HA TYR 11 HA TYR 11 8.534 -3.061 -5.886
78 HB2 TYR 11 HB2 TYR 11 10.445 -2.280 -3.760
79 HB3 TYR 11 HB3 TYR 11 9.032 -1.432 -4.351
80 HD1 TYR 11 HD1 TYR 11 10.327 -3.794 -1.971
81 HD2 TYR 11 HD2 TYR 11 6.785 -2.087 -3.556
82 HE1 TYR 11 HE1 TYR 11 9.077 -4.581 0.001
83 HE2 TYR 11 HE2 TYR 11 5.520 -2.866 -1.600
84 HH TYR 11 HH TYR 11 7.121 -4.275 1.153
85 H ALA 12 HN ALA 12 10.939 -4.991 -6.443
86 HA ALA 12 HA ALA 12 13.309 -3.569 -6.596
87 HB1 ALA 12 HB1 ALA 12 14.043 -5.200 -8.228
88 HB2 ALA 12 HB2 ALA 12 12.376 -5.688 -8.528
89 HB3 ALA 12 HB3 ALA 12 13.114 -5.992 -6.955
90 H GLY 13 HN GLY 13 13.664 -1.690 -7.515
91 HA2 GLY 13 HA2 GLY 13 13.798 -0.013 -9.060
92 HA3 GLY 13 HA1 GLY 13 13.393 -1.202 -10.289
93 H LEU 14 HN LEU 14 11.472 -0.279 -7.507
94 HA LEU 14 HA LEU 14 9.475 0.855 -9.343
95 HB2 LEU 14 HB2 LEU 14 8.946 -0.996 -7.020
96 HB3 LEU 14 HB3 LEU 14 7.711 -0.190 -7.970
97 HG LEU 14 HG LEU 14 9.681 -2.204 -9.050
98 HD11 LEU 14 HD11 LEU 14 7.640 -3.635 -9.255
99 HD12 LEU 14 HD12 LEU 14 6.794 -2.463 -8.243
100 HD13 LEU 14 HD13 LEU 14 8.183 -3.344 -7.606
101 HD21 LEU 14 HD21 LEU 14 7.296 -0.859 -10.315
102 HD22 LEU 14 HD22 LEU 14 8.220 -2.180 -11.031
103 HD23 LEU 14 HD23 LEU 14 8.992 -0.620 -10.741
104 H THR 15 HN THR 15 7.958 2.299 -8.336
105 HA THR 15 HA THR 15 9.244 3.833 -6.182
106 HB THR 15 HB THR 15 6.983 4.890 -7.823
107 HG1 THR 15 HG1 THR 15 8.962 3.841 -9.045
108 HG21 THR 15 HG21 THR 15 8.045 6.993 -7.479
109 HG22 THR 15 HG22 THR 15 9.517 6.228 -6.905
110 HG23 THR 15 HG23 THR 15 8.055 6.158 -5.925
111 H VAL 16 HN VAL 16 8.456 3.351 -4.263
112 HA VAL 16 HA VAL 16 5.641 2.555 -3.983
113 HB VAL 16 HB VAL 16 6.226 1.532 -1.892
114 HG11 VAL 16 HG11 VAL 16 6.510 0.220 -3.910
115 HG12 VAL 16 HG12 VAL 16 7.717 -0.225 -2.703
116 HG13 VAL 16 HG13 VAL 16 8.170 0.794 -4.070
117 HG21 VAL 16 HG21 VAL 16 8.529 1.449 -1.082
118 HG22 VAL 16 HG22 VAL 16 7.924 3.106 -1.151
119 HG23 VAL 16 HG23 VAL 16 9.029 2.519 -2.394
120 H SER 17 HN SER 17 4.419 3.376 -2.267
121 HA SER 17 HA SER 17 4.694 6.147 -1.979
122 HB2 SER 17 HB2 SER 17 2.824 4.465 -0.341
123 HB3 SER 17 HB3 SER 17 2.614 6.111 -0.937
124 HG SER 17 HG SER 17 2.190 3.715 -2.230
125 H ALA 18 HN ALA 18 4.847 7.383 0.012
126 HA ALA 18 HA ALA 18 7.137 6.799 1.433
127 HB1 ALA 18 HB1 ALA 18 4.842 8.518 2.359
128 HB2 ALA 18 HB2 ALA 18 6.185 9.026 1.337
129 HB3 ALA 18 HB3 ALA 18 6.481 8.540 3.006
130 HA PRO 19 HA PRO 19 4.202 5.082 5.091
131 HB2 PRO 19 HB2 PRO 19 2.294 3.763 3.213
132 HB3 PRO 19 HB3 PRO 19 2.013 4.406 4.836
133 HG2 PRO 19 HG2 PRO 19 1.205 5.771 2.723
134 HG3 PRO 19 HG3 PRO 19 1.956 6.613 4.089
135 HD2 PRO 19 HD2 PRO 19 3.106 5.925 1.424
136 HD3 PRO 19 HD3 PRO 19 3.343 7.374 2.420
137 H VAL 20 HN VAL 20 4.532 3.412 1.954
138 HA VAL 20 HA VAL 20 5.169 0.922 3.292
139 HB VAL 20 HB VAL 20 4.038 0.235 1.472
140 HG11 VAL 20 HG11 VAL 20 3.416 2.435 0.729
141 HG12 VAL 20 HG12 VAL 20 3.852 1.433 -0.655
142 HG13 VAL 20 HG13 VAL 20 4.983 2.645 -0.052
143 HG21 VAL 20 HG21 VAL 20 6.186 -0.765 1.029
144 HG22 VAL 20 HG22 VAL 20 6.738 0.694 0.206
145 HG23 VAL 20 HG23 VAL 20 5.465 -0.294 -0.515
146 H PHE 21 HN PHE 21 6.757 3.413 1.411
147 HA PHE 21 HA PHE 21 9.309 2.343 1.136
148 HB2 PHE 21 HB2 PHE 21 8.401 4.486 0.150
149 HB3 PHE 21 HB3 PHE 21 8.661 5.230 1.718
150 HD1 PHE 21 HD1 PHE 21 10.229 3.912 -1.274
151 HD2 PHE 21 HD2 PHE 21 10.893 5.666 2.535
152 HE1 PHE 21 HE1 PHE 21 12.565 4.361 -1.893
153 HE2 PHE 21 HE2 PHE 21 13.225 6.138 1.923
154 HZ PHE 21 HZ PHE 21 14.069 5.485 -0.301
155 H ALA 22 HN ALA 22 8.091 4.509 3.675
156 HA ALA 22 HA ALA 22 10.419 4.490 5.243
157 HB1 ALA 22 HB1 ALA 22 7.580 5.007 6.110
158 HB2 ALA 22 HB2 ALA 22 8.666 6.199 5.398
159 HB3 ALA 22 HB3 ALA 22 9.039 5.493 6.971
160 H ALA 23 HN ALA 23 7.574 2.424 5.210
161 HA ALA 23 HA ALA 23 8.180 1.049 7.625
162 HB1 ALA 23 HB1 ALA 23 5.927 1.158 6.657
163 HB2 ALA 23 HB2 ALA 23 6.467 -0.499 6.920
164 HB3 ALA 23 HB3 ALA 23 6.480 0.185 5.293
165 H LEU 24 HN LEU 24 8.761 0.485 4.210
166 HA LEU 24 HA LEU 24 10.112 -1.950 4.325
167 HB2 LEU 24 HB2 LEU 24 9.802 0.287 2.510
168 HB3 LEU 24 HB3 LEU 24 11.410 -0.391 2.427
169 HG LEU 24 HG LEU 24 10.665 -2.403 1.555
170 HD11 LEU 24 HD11 LEU 24 8.373 -3.204 1.634
171 HD12 LEU 24 HD12 LEU 24 7.881 -1.752 2.511
172 HD13 LEU 24 HD13 LEU 24 8.983 -2.908 3.258
173 HD21 LEU 24 HD21 LEU 24 8.728 -0.309 0.605
174 HD22 LEU 24 HD22 LEU 24 9.132 -1.798 -0.251
175 HD23 LEU 24 HD23 LEU 24 10.366 -0.564 0.006
176 H VAL 25 HN VAL 25 11.394 1.364 4.517
177 HA VAL 25 HA VAL 25 14.063 0.671 5.049
178 HB VAL 25 HB VAL 25 12.545 3.113 6.003
179 HG11 VAL 25 HG11 VAL 25 14.743 4.161 6.222
180 HG12 VAL 25 HG12 VAL 25 15.515 2.638 5.774
181 HG13 VAL 25 HG13 VAL 25 14.598 2.753 7.277
182 HG21 VAL 25 HG21 VAL 25 14.245 2.649 3.557
183 HG22 VAL 25 HG22 VAL 25 13.593 4.208 4.060
184 HG23 VAL 25 HG23 VAL 25 12.500 2.905 3.593
185 H THR 26 HN THR 26 11.257 0.691 7.050
186 HA THR 26 HA THR 26 12.532 0.642 9.578
187 HB THR 26 HB THR 26 9.810 -0.386 8.735
188 HG1 THR 26 HG1 THR 26 10.477 1.987 8.648
189 HG21 THR 26 HG21 THR 26 10.907 0.108 11.508
190 HG22 THR 26 HG22 THR 26 10.503 -1.461 10.809
191 HG23 THR 26 HG23 THR 26 9.230 -0.281 11.123
192 H VAL 27 HN VAL 27 11.670 -1.874 7.264
193 HA VAL 27 HA VAL 27 12.637 -3.909 9.149
194 HB VAL 27 HB VAL 27 10.556 -4.694 8.637
195 HG11 VAL 27 HG11 VAL 27 9.900 -2.842 7.209
196 HG12 VAL 27 HG12 VAL 27 9.398 -4.377 6.497
197 HG13 VAL 27 HG13 VAL 27 10.813 -3.535 5.867
198 HG21 VAL 27 HG21 VAL 27 12.013 -5.669 6.194
199 HG22 VAL 27 HG22 VAL 27 10.636 -6.439 6.985
200 HG23 VAL 27 HG23 VAL 27 12.195 -6.356 7.811
201 H TYR 28 HN TYR 28 12.776 -3.044 5.711
202 HA TYR 28 HA TYR 28 14.964 -4.885 5.236
203 HB2 TYR 28 HB2 TYR 28 13.606 -2.930 3.367
204 HB3 TYR 28 HB3 TYR 28 14.690 -4.233 2.891
205 HD1 TYR 28 HD1 TYR 28 11.323 -3.298 3.470
206 HD2 TYR 28 HD2 TYR 28 13.949 -6.639 3.532
207 HE1 TYR 28 HE1 TYR 28 9.394 -4.809 3.344
208 HE2 TYR 28 HE2 TYR 28 12.021 -8.159 3.398
209 HH TYR 28 HH TYR 28 8.893 -7.096 2.616
210 H GLY 29 HN GLY 29 14.405 -1.510 5.740
211 HA2 GLY 29 HA2 GLY 29 15.997 0.048 6.421
212 HA3 GLY 29 HA1 GLY 29 17.262 -1.057 5.906
213 H ALA 30 HN ALA 30 17.260 1.693 5.342
214 HA ALA 30 HA ALA 30 16.404 2.224 2.700
215 HB1 ALA 30 HB1 ALA 30 17.979 4.114 2.786
216 HB2 ALA 30 HB2 ALA 30 18.652 3.470 4.283
217 HB3 ALA 30 HB3 ALA 30 16.979 4.022 4.236
218 H TYR 31 HN TYR 31 19.058 0.515 4.058
219 HA TYR 31 HA TYR 31 20.872 0.471 1.950
220 HB2 TYR 31 HB2 TYR 31 21.191 -0.353 4.311
221 HB3 TYR 31 HB3 TYR 31 20.262 -1.780 3.870
222 HD1 TYR 31 HD1 TYR 31 21.384 -3.635 3.115
223 HD2 TYR 31 HD2 TYR 31 23.210 0.175 2.770
224 HE1 TYR 31 HE1 TYR 31 23.438 -4.711 2.295
225 HE2 TYR 31 HE2 TYR 31 25.282 -0.879 1.945
226 HH TYR 31 HH TYR 31 26.386 -3.144 2.121
227 H ALA 32 HN ALA 32 18.379 -1.980 2.752
228 HA ALA 32 HA ALA 32 18.766 -3.476 0.407
229 HB1 ALA 32 HB1 ALA 32 16.645 -4.565 0.960
230 HB2 ALA 32 HB2 ALA 32 16.334 -3.327 2.176
231 HB3 ALA 32 HB3 ALA 32 17.696 -4.428 2.367
232 H LEU 33 HN LEU 33 16.453 -0.899 1.221
233 HA LEU 33 HA LEU 33 15.004 -1.044 -1.175
234 HB2 LEU 33 HB2 LEU 33 15.278 0.849 1.058
235 HB3 LEU 33 HB3 LEU 33 14.800 1.588 -0.461
236 HG LEU 33 HG LEU 33 12.877 0.076 -0.593
237 HD11 LEU 33 HD11 LEU 33 12.318 -1.437 1.135
238 HD12 LEU 33 HD12 LEU 33 13.634 -0.868 2.158
239 HD13 LEU 33 HD13 LEU 33 13.989 -1.780 0.691
240 HD21 LEU 33 HD21 LEU 33 11.593 1.083 1.156
241 HD22 LEU 33 HD22 LEU 33 12.750 2.269 0.549
242 HD23 LEU 33 HD23 LEU 33 13.053 1.439 2.077
243 H TYR 34 HN TYR 34 17.978 0.591 -0.351
244 HA TYR 34 HA TYR 34 18.210 2.074 -2.774
245 HB2 TYR 34 HB2 TYR 34 19.507 2.894 -1.000
246 HB3 TYR 34 HB3 TYR 34 20.083 1.293 -0.557
247 HD1 TYR 34 HD1 TYR 34 22.043 0.378 -1.519
248 HD2 TYR 34 HD2 TYR 34 20.462 4.052 -2.979
249 HE1 TYR 34 HE1 TYR 34 24.123 0.770 -2.782
250 HE2 TYR 34 HE2 TYR 34 22.533 4.450 -4.242
251 HH TYR 34 HH TYR 34 24.909 3.766 -4.145
252 H ARG 35 HN ARG 35 19.065 -1.107 -1.675
253 HA ARG 35 HA ARG 35 20.821 -1.789 -3.782
254 HB2 ARG 35 HB2 ARG 35 19.378 -3.232 -1.631
255 HB3 ARG 35 HB3 ARG 35 20.003 -4.186 -2.974
256 HG2 ARG 35 HG2 ARG 35 22.231 -3.110 -2.529
257 HG3 ARG 35 HG3 ARG 35 21.525 -2.464 -1.048
258 HD2 ARG 35 HD2 ARG 35 21.036 -4.687 -0.262
259 HD3 ARG 35 HD3 ARG 35 21.612 -5.384 -1.773
260 HE ARG 35 HE ARG 35 23.533 -3.788 -0.297
261 HH11 ARG 35 HH11 ARG 35 22.304 -6.979 -1.031
262 HH12 ARG 35 HH12 ARG 35 23.727 -7.795 -0.475
263 HH21 ARG 35 HH21 ARG 35 25.404 -4.866 0.468
264 HH22 ARG 35 HH22 ARG 35 25.482 -6.601 0.383
265 H TYR 36 HN TYR 36 17.365 -2.221 -3.281
266 HA TYR 36 HA TYR 36 17.148 -3.644 -5.819
267 HB2 TYR 36 HB2 TYR 36 15.190 -3.171 -3.577
268 HB3 TYR 36 HB3 TYR 36 14.749 -3.966 -5.087
269 HD1 TYR 36 HD1 TYR 36 16.952 -4.181 -2.142
270 HD2 TYR 36 HD2 TYR 36 15.282 -6.239 -5.459
271 HE1 TYR 36 HE1 TYR 36 17.827 -6.283 -1.253
272 HE2 TYR 36 HE2 TYR 36 16.143 -8.367 -4.578
273 HH TYR 36 HH TYR 36 17.373 -8.689 -1.419
274 H ASN 37 HN ASN 37 17.462 -0.597 -5.257
275 HA ASN 37 HA ASN 37 16.802 1.366 -6.186
276 HB2 ASN 37 HB2 ASN 37 17.377 -0.094 -8.224
277 HB3 ASN 37 HB3 ASN 37 15.643 -0.249 -8.451
278 HD21 ASN 37 HD21 ASN 37 14.471 1.493 -9.189
279 HD22 ASN 37 HD22 ASN 37 15.211 2.924 -9.808
280 H ILE 38 HN ILE 38 15.091 0.425 -4.298
281 HA ILE 38 HA ILE 38 12.379 0.751 -5.267
282 HB ILE 38 HB ILE 38 13.453 0.424 -2.464
283 HG12 ILE 38 HG12 ILE 38 12.139 -1.563 -4.329
284 HG13 ILE 38 HG11 ILE 38 13.851 -1.509 -3.951
285 HG21 ILE 38 HG21 ILE 38 11.125 -0.116 -1.875
286 HG22 ILE 38 HG22 ILE 38 10.629 0.320 -3.512
287 HG23 ILE 38 HG23 ILE 38 11.311 1.545 -2.440
288 HD11 ILE 38 HD11 ILE 38 12.778 -3.248 -2.703
289 HD12 ILE 38 HD12 ILE 38 11.629 -2.090 -2.028
290 HD13 ILE 38 HD13 ILE 38 13.338 -1.980 -1.613
291 H ARG 39 HN ARG 39 11.418 2.655 -5.426
292 HA ARG 39 HA ARG 39 12.842 4.983 -4.309
293 HB2 ARG 39 HB2 ARG 39 10.841 5.084 -6.541
294 HB3 ARG 39 HB3 ARG 39 12.052 6.277 -6.119
295 HG2 ARG 39 HG2 ARG 39 12.379 3.679 -7.560
296 HG3 ARG 39 HG3 ARG 39 12.791 5.306 -8.079
297 HD2 ARG 39 HD2 ARG 39 14.204 3.655 -5.997
298 HD3 ARG 39 HD3 ARG 39 14.806 4.090 -7.592
299 HE ARG 39 HE ARG 39 14.198 6.260 -5.729
300 HH11 ARG 39 HH11 ARG 39 16.598 4.317 -7.388
301 HH12 ARG 39 HH12 ARG 39 17.907 5.396 -7.028
302 HH21 ARG 39 HH21 ARG 39 15.932 7.676 -5.245
303 HH22 ARG 39 HH22 ARG 39 17.530 7.296 -5.801
304 H ARG 40 HN ARG 40 11.111 6.946 -4.278
305 HA ARG 40 HA ARG 40 8.849 5.960 -2.657
306 HB2 ARG 40 HB2 ARG 40 10.765 6.826 -1.272
307 HB3 ARG 40 HB3 ARG 40 10.487 8.404 -1.994
308 HG2 ARG 40 HG2 ARG 40 8.284 8.517 -1.034
309 HG3 ARG 40 HG3 ARG 40 8.437 6.872 -0.412
310 HD2 ARG 40 HD2 ARG 40 8.854 8.400 1.386
311 HD3 ARG 40 HD3 ARG 40 10.376 7.634 0.944
312 HE ARG 40 HE ARG 40 9.823 10.189 -0.301
313 HH11 ARG 40 HH11 ARG 40 11.366 8.490 2.330
314 HH12 ARG 40 HH12 ARG 40 12.543 9.731 2.621
315 HH21 ARG 40 HH21 ARG 40 11.369 11.852 0.087
316 HH22 ARG 40 HH22 ARG 40 12.541 11.641 1.347
317 H ARG 41 HN ARG 41 6.935 6.923 -2.936
318 HA ARG 41 HA ARG 41 6.679 9.500 -4.289
319 HB2 ARG 41 HB2 ARG 41 5.357 8.616 -6.132
320 HB3 ARG 41 HB3 ARG 41 6.957 7.885 -6.131
321 HG2 ARG 41 HG2 ARG 41 5.914 5.925 -6.259
322 HG3 ARG 41 HG3 ARG 41 5.483 6.177 -4.568
323 HD2 ARG 41 HD2 ARG 41 3.496 5.630 -5.769
324 HD3 ARG 41 HD3 ARG 41 3.422 7.335 -5.324
325 HE ARG 41 HE ARG 41 4.508 6.792 -7.955
326 HH11 ARG 41 HH11 ARG 41 1.651 7.576 -6.101
327 HH12 ARG 41 HH12 ARG 41 0.778 8.178 -7.477
328 HH21 ARG 41 HH21 ARG 41 3.357 7.549 -9.758
329 HH22 ARG 41 HH22 ARG 41 1.734 8.137 -9.555
330 H GLU 42 HN GLU 42 4.613 10.415 -4.088
331 HA GLU 42 HA GLU 42 2.323 8.719 -3.632
332 HB2 GLU 42 HB2 GLU 42 2.977 10.951 -1.709
333 HB3 GLU 42 HB3 GLU 42 1.377 10.235 -1.895
334 HG2 GLU 42 HG2 GLU 42 2.300 8.066 -1.272
335 HG3 GLU 42 HG3 GLU 42 3.871 8.828 -1.030
336 H ASN 43 HN ASN 43 0.295 10.088 -3.666
337 HA ASN 43 HA ASN 43 0.460 12.655 -4.950
338 HB2 ASN 43 HB2 ASN 43 0.113 10.228 -6.530
339 HB3 ASN 43 HB3 ASN 43 -1.222 11.355 -6.743
340 HD21 ASN 43 HD21 ASN 43 2.249 10.952 -6.986
341 HD22 ASN 43 HD22 ASN 43 2.504 12.238 -8.121
342 H SER 44 HN SER 44 -0.526 12.056 -2.568
343 HA SER 44 HA SER 44 -2.270 12.448 -1.206
344 HB2 SER 44 HB2 SER 44 -2.959 14.172 -2.775
345 HB3 SER 44 HB3 SER 44 -3.768 12.966 -3.766
346 HG SER 44 HG SER 44 -4.816 12.633 -1.428
347 H TYR 45 HN TYR 45 -3.232 10.503 -4.019
348 HA TYR 45 HA TYR 45 -5.167 9.026 -2.533
349 HB2 TYR 45 HB2 TYR 45 -5.638 7.875 -4.530
350 HB3 TYR 45 HB3 TYR 45 -5.179 9.488 -5.054
351 HD1 TYR 45 HD1 TYR 45 -2.223 9.314 -4.912
352 HD2 TYR 45 HD2 TYR 45 -5.084 6.490 -6.319
353 HE1 TYR 45 HE1 TYR 45 -0.521 8.343 -6.366
354 HE2 TYR 45 HE2 TYR 45 -3.386 5.519 -7.808
355 HH TYR 45 HH TYR 45 -0.100 6.135 -7.516
356 H GLN 46 HN GLN 46 -5.005 6.489 -2.969
357 HA GLN 46 HA GLN 46 -2.871 5.546 -1.334
358 HB2 GLN 46 HB2 GLN 46 -3.902 3.284 -1.866
359 HB3 GLN 46 HB3 GLN 46 -4.954 4.450 -1.090
360 HG2 GLN 46 HG2 GLN 46 -6.162 3.295 -2.735
361 HG3 GLN 46 HG1 GLN 46 -5.939 4.945 -3.295
362 HE21 GLN 46 HE21 GLN 46 -6.224 4.518 -5.417
363 HE22 GLN 46 HE22 GLN 46 -5.128 3.573 -6.366
364 H ARG 47 HN ARG 47 -1.581 3.591 -2.049
365 HA ARG 47 HA ARG 47 -1.218 2.957 -4.745
366 HB2 ARG 47 HB2 ARG 47 -0.180 5.252 -4.765
367 HB3 ARG 47 HB3 ARG 47 1.036 4.650 -3.650
368 HG2 ARG 47 HG2 ARG 47 1.808 4.698 -5.985
369 HG3 ARG 47 HG3 ARG 47 1.833 3.074 -5.294
370 HD2 ARG 47 HD2 ARG 47 -0.232 2.528 -6.421
371 HD3 ARG 47 HD3 ARG 47 -0.374 4.177 -7.027
372 HE ARG 47 HE ARG 47 2.069 3.129 -7.903
373 HH11 ARG 47 HH11 ARG 47 -1.358 2.625 -8.354
374 HH12 ARG 47 HH12 ARG 47 -1.197 2.042 -9.980
375 HH21 ARG 47 HH21 ARG 47 2.296 2.345 -10.051
376 HH22 ARG 47 HH22 ARG 47 0.883 1.869 -10.941
377 H ILE 48 HN ILE 48 -1.652 1.189 -3.152
378 HA ILE 48 HA ILE 48 0.700 0.268 -1.715
379 HB ILE 48 HB ILE 48 -2.064 -0.905 -1.994
380 HG12 ILE 48 HG12 ILE 48 -1.971 -0.525 0.556
381 HG13 ILE 48 HG11 ILE 48 -0.588 0.508 0.221
382 HG21 ILE 48 HG21 ILE 48 -1.374 -2.594 -0.361
383 HG22 ILE 48 HG22 ILE 48 0.278 -1.986 -0.441
384 HG23 ILE 48 HG23 ILE 48 -0.462 -2.719 -1.864
385 HD11 ILE 48 HD11 ILE 48 -1.993 1.912 -1.203
386 HD12 ILE 48 HD12 ILE 48 -2.614 1.810 0.445
387 HD13 ILE 48 HD13 ILE 48 -3.376 0.879 -0.844
388 H ARG 49 HN ARG 49 2.112 -1.188 -2.418
389 HA ARG 49 HA ARG 49 1.860 -2.306 -5.063
390 HB2 ARG 49 HB2 ARG 49 4.017 -1.443 -4.299
391 HB3 ARG 49 HB3 ARG 49 4.021 -2.581 -2.964
392 HG2 ARG 49 HG2 ARG 49 5.513 -3.310 -4.726
393 HG3 ARG 49 HG3 ARG 49 4.172 -4.441 -4.544
394 HD2 ARG 49 HD2 ARG 49 3.050 -3.364 -6.456
395 HD3 ARG 49 HD3 ARG 49 4.445 -2.304 -6.652
396 HE ARG 49 HE ARG 49 5.542 -4.774 -6.750
397 HH11 ARG 49 HH11 ARG 49 2.863 -3.289 -8.437
398 HH12 ARG 49 HH12 ARG 49 3.078 -4.227 -9.879
399 HH21 ARG 49 HH21 ARG 49 5.820 -6.031 -8.637
400 HH22 ARG 49 HH22 ARG 49 4.769 -5.787 -9.994
401 H SER 50 HN SER 50 -0.182 -3.378 -4.092
402 HA SER 50 HA SER 50 -1.296 -5.319 -3.755
403 HB2 SER 50 HB2 SER 50 0.344 -6.056 -5.525
404 HB3 SER 50 HB3 SER 50 1.352 -6.698 -4.231
405 HG SER 50 HG SER 50 -1.004 -7.671 -5.299
406 H ASP 51 HN ASP 51 -0.789 -7.672 -2.584
407 HA ASP 51 HA ASP 51 0.708 -7.593 -0.186
408 HB2 ASP 51 HB2 ASP 51 -1.093 -6.111 0.582
409 HB3 ASP 51 HB3 ASP 51 -2.288 -7.314 0.129
410 H HIS 52 HN HIS 52 -2.439 -9.055 -0.219
411 HA HIS 52 HA HIS 52 -1.311 -11.569 -1.192
412 HB2 HIS 52 HB2 HIS 52 -2.637 -11.020 1.427
413 HB3 HIS 52 HB3 HIS 52 -2.842 -12.592 0.674
414 HD1 HIS 52 HD1 HIS 52 -1.044 -14.260 1.144
415 HD2 HIS 52 HD2 HIS 52 0.184 -10.366 1.917
416 HE1 HIS 52 HE1 HIS 52 1.240 -14.461 2.179
417 HE2 HIS 52 HE2 HIS 52 1.921 -12.100 2.731
418 H ASP 53 HN ASP 53 -4.471 -10.839 0.249
419 HA ASP 53 HA ASP 53 -5.786 -11.730 -2.197
420 HB2 ASP 53 HB2 ASP 53 -6.897 -10.915 0.504
421 HB3 ASP 53 HB3 ASP 53 -7.892 -11.400 -0.860
422 H SER 54 HN SER 54 -4.268 -9.242 -2.127
423 HA SER 54 HA SER 54 -6.149 -7.084 -1.953
424 HB2 SER 54 HB2 SER 54 -3.260 -7.292 -2.658
425 HB3 SER 54 HB3 SER 54 -4.127 -5.777 -2.830
426 HG SER 54 HG SER 54 -4.541 -5.803 -0.639
427 H HIS 55 HN HIS 55 -6.517 -5.564 -3.620
428 HA HIS 55 HA HIS 55 -6.084 -6.039 -6.344
429 HB2 HIS 55 HB2 HIS 55 -8.454 -6.566 -7.026
430 HB3 HIS 55 HB3 HIS 55 -7.579 -7.892 -6.288
431 HD1 HIS 55 HD1 HIS 55 -10.762 -6.232 -6.166
432 HD2 HIS 55 HD2 HIS 55 -8.308 -8.142 -3.413
433 HE1 HIS 55 HE1 HIS 55 -12.257 -6.846 -4.246
434 HE2 HIS 55 HE2 HIS 55 -10.793 -8.211 -2.712
435 H SER 56 HN SER 56 -7.835 -4.714 -7.656
436 HA SER 56 HA SER 56 -7.830 -2.097 -6.422
437 HB2 SER 56 HB2 SER 56 -8.754 -1.421 -8.705
438 HB3 SER 56 HB3 SER 56 -7.139 -2.128 -8.692
439 HG SER 56 HG SER 56 -8.178 -3.211 -10.269
440 H CYS 57 HN CYS 57 -9.614 -0.832 -5.960
441 HA CYS 57 HA CYS 57 -12.290 -1.867 -6.486
442 HB2 CYS 57 HB2 CYS 57 -12.981 -1.461 -4.144
443 HB3 CYS 57 HB3 CYS 57 -11.818 -2.777 -4.286
444 H ALA 58 HN ALA 58 -13.943 -0.173 -5.713
445 HA ALA 58 HA ALA 58 -14.822 1.901 -5.934
446 HB1 ALA 58 HB1 ALA 58 -13.492 2.369 -3.930
447 HB2 ALA 58 HB2 ALA 58 -13.583 3.782 -4.981
448 HB3 ALA 58 HB3 ALA 58 -12.116 2.806 -4.942
449 H ASN 59 HN ASN 59 -13.798 0.723 -8.236
450 HA ASN 59 HA ASN 59 -13.225 1.135 -10.393
451 HB2 ASN 59 HB2 ASN 59 -13.934 3.925 -9.516
452 HB3 ASN 59 HB3 ASN 59 -13.299 3.624 -11.130
453 HD21 ASN 59 HD21 ASN 59 -14.553 2.543 -12.624
454 HD22 ASN 59 HD22 ASN 59 -16.239 2.239 -12.384
455 H ASN 60 HN ASN 60 -11.267 0.804 -8.484
456 HA ASN 60 HA ASN 60 -9.058 0.925 -8.093
457 HB2 ASN 60 HB2 ASN 60 -9.023 0.334 -10.521
458 HB3 ASN 60 HB3 ASN 60 -8.843 2.044 -10.887
459 HD21 ASN 60 HD21 ASN 60 -7.309 0.607 -8.085
460 HD22 ASN 60 HD22 ASN 60 -5.698 0.694 -8.702
461 H ARG 61 HN ARG 61 -10.722 3.237 -7.435
462 HA ARG 61 HA ARG 61 -8.739 5.368 -7.470
463 HB2 ARG 61 HB2 ARG 61 -11.486 5.174 -6.230
464 HB3 ARG 61 HB3 ARG 61 -10.426 6.561 -6.011
465 HG2 ARG 61 HG2 ARG 61 -10.404 6.896 -8.452
466 HG3 ARG 61 HG3 ARG 61 -11.533 5.549 -8.624
467 HD2 ARG 61 HD2 ARG 61 -12.041 8.075 -7.062
468 HD3 ARG 61 HD3 ARG 61 -12.664 7.729 -8.674
469 HE ARG 61 HE ARG 61 -13.609 5.649 -7.330
470 HH11 ARG 61 HH11 ARG 61 -13.512 9.028 -6.427
471 HH12 ARG 61 HH12 ARG 61 -14.997 8.968 -5.533
472 HH21 ARG 61 HH21 ARG 61 -15.568 5.562 -6.139
473 HH22 ARG 61 HH22 ARG 61 -16.162 6.996 -5.362
474 H GLY 62 HN GLY 62 -9.716 2.691 -5.627
475 HA2 GLY 62 HA2 GLY 62 -7.707 3.381 -3.593
476 HA3 GLY 62 HA1 GLY 62 -9.293 2.789 -3.098
477 H TRP 63 HN TRP 63 -6.673 1.633 -2.666
478 HA TRP 63 HA TRP 63 -6.881 -0.860 -4.188
479 HB2 TRP 63 HB2 TRP 63 -4.676 0.243 -4.096
480 HB3 TRP 63 HB3 TRP 63 -4.689 0.109 -2.341
481 HD1 TRP 63 HD1 TRP 63 -3.862 -2.120 -1.310
482 HE1 TRP 63 HE1 TRP 63 -2.999 -4.339 -2.269
483 HE3 TRP 63 HE3 TRP 63 -5.041 -1.359 -6.215
484 HZ2 TRP 63 HZ2 TRP 63 -2.847 -5.606 -4.822
485 HZ3 TRP 63 HZ3 TRP 63 -4.513 -3.105 -7.848
486 HH2 TRP 63 HH2 TRP 63 -3.441 -5.188 -7.170
487 H CYS 64 HN CYS 64 -7.302 -2.810 -3.245
488 HA CYS 64 HA CYS 64 -8.458 -2.846 -0.606
489 HB2 CYS 64 HB2 CYS 64 -7.969 -4.997 -2.648
490 HB3 CYS 64 HB3 CYS 64 -8.726 -5.306 -1.093
491 H ARG 65 HN ARG 65 -7.289 -2.953 1.154
492 HA ARG 65 HA ARG 65 -5.040 -4.851 1.220
493 HB2 ARG 65 HB2 ARG 65 -4.951 -2.001 1.705
494 HB3 ARG 65 HB3 ARG 65 -4.519 -2.880 3.156
495 HG2 ARG 65 HG2 ARG 65 -2.995 -4.218 1.488
496 HG3 ARG 65 HG3 ARG 65 -3.113 -2.713 0.572
497 HD2 ARG 65 HD2 ARG 65 -2.293 -1.449 2.460
498 HD3 ARG 65 HD3 ARG 65 -2.294 -2.896 3.468
499 HE ARG 65 HE ARG 65 -0.482 -2.370 1.225
500 HH11 ARG 65 HH11 ARG 65 -1.266 -4.110 4.146
501 HH12 ARG 65 HH12 ARG 65 0.224 -4.990 4.178
502 HH21 ARG 65 HH21 ARG 65 1.500 -3.525 1.270
503 HH22 ARG 65 HH22 ARG 65 1.798 -4.654 2.550
504 HA PRO 66 HA PRO 66 -6.976 -6.307 4.979
505 HB2 PRO 66 HB2 PRO 66 -4.448 -6.519 6.405
506 HB3 PRO 66 HB3 PRO 66 -5.499 -7.801 5.816
507 HG2 PRO 66 HG2 PRO 66 -3.052 -7.244 4.756
508 HG3 PRO 66 HG3 PRO 66 -4.371 -7.995 3.845
509 HD2 PRO 66 HD2 PRO 66 -3.394 -5.178 3.803
510 HD3 PRO 66 HD3 PRO 66 -4.039 -6.173 2.482
511 H THR 67 HN THR 67 -4.468 -3.856 5.260
512 HA THR 67 HA THR 67 -6.114 -2.389 7.182
513 HB THR 67 HB THR 67 -3.139 -2.635 7.614
514 HG1 THR 67 HG1 THR 67 -3.480 -4.545 8.457
515 HG21 THR 67 HG21 THR 67 -3.707 -1.858 9.870
516 HG22 THR 67 HG22 THR 67 -5.412 -1.807 9.422
517 HG23 THR 67 HG23 THR 67 -4.264 -0.719 8.644
518 H CYS 68 HN CYS 68 -5.729 -0.108 7.115
519 HA CYS 68 HA CYS 68 -4.588 0.717 4.531
520 HB2 CYS 68 HB2 CYS 68 -6.780 1.924 6.221
521 HB3 CYS 68 HB3 CYS 68 -6.162 2.650 4.745
522 H PHE 69 HN PHE 69 -3.594 2.813 4.348
523 HA PHE 69 HA PHE 69 -2.034 3.483 6.752
524 HB2 PHE 69 HB2 PHE 69 -1.579 4.201 3.843
525 HB3 PHE 69 HB3 PHE 69 -0.525 4.657 5.176
526 HD1 PHE 69 HD1 PHE 69 -1.286 2.170 2.743
527 HD2 PHE 69 HD2 PHE 69 0.533 2.789 6.538
528 HE1 PHE 69 HE1 PHE 69 -0.043 0.066 2.487
529 HE2 PHE 69 HE2 PHE 69 1.776 0.694 6.290
530 HZ PHE 69 HZ PHE 69 1.495 -0.678 4.262
531 H SER 70 HN SER 70 -1.416 5.823 6.962
532 HA SER 70 HA SER 70 -3.843 7.360 7.151
533 HB2 SER 70 HB2 SER 70 -1.006 8.157 7.846
534 HB3 SER 70 HB3 SER 70 -2.481 8.970 8.373
535 HG SER 70 HG SER 70 -2.202 7.672 10.035
536 H HIS 71 HN HIS 71 -4.528 7.938 5.156
537 HA HIS 71 HA HIS 71 -4.000 10.034 3.698
538 HB2 HIS 71 HB2 HIS 71 -2.373 9.686 1.989
539 HB3 HIS 71 HB3 HIS 71 -1.567 9.252 3.485
540 HD1 HIS 71 HD1 HIS 71 -0.467 8.257 0.820
541 HD2 HIS 71 HD2 HIS 71 -3.166 6.121 3.145
542 HE1 HIS 71 HE1 HIS 71 -0.234 5.857 0.101
543 HE2 HIS 71 HE2 HIS 71 -2.102 4.659 1.309
544 H GLU 72 HN GLU 72 -4.852 6.900 4.129
545 HA GLU 72 HA GLU 72 -7.031 7.176 2.219
546 HB2 GLU 72 HB2 GLU 72 -6.873 4.813 1.611
547 HB3 GLU 72 HB3 GLU 72 -5.358 5.635 1.221
548 HG2 GLU 72 HG2 GLU 72 -4.785 4.796 3.693
549 HG3 GLU 72 HG3 GLU 72 -5.933 3.552 3.216
550 H TYR 73 HN TYR 73 -8.771 5.441 2.903
551 HA TYR 73 HA TYR 73 -8.688 4.910 5.777
552 HB2 TYR 73 HB2 TYR 73 -11.008 5.822 6.037
553 HB3 TYR 73 HB3 TYR 73 -9.790 7.050 5.724
554 HD1 TYR 73 HD1 TYR 73 -12.506 5.082 4.134
555 HD2 TYR 73 HD2 TYR 73 -9.958 8.479 3.884
556 HE1 TYR 73 HE1 TYR 73 -13.822 5.912 2.232
557 HE2 TYR 73 HE2 TYR 73 -11.257 9.322 1.976
558 HH TYR 73 HH TYR 73 -14.288 7.974 1.066
559 H THR 74 HN THR 74 -10.569 3.601 6.465
560 HA THR 74 HA THR 74 -10.964 1.395 4.692
561 HB THR 74 HB THR 74 -12.273 1.988 7.356
562 HG1 THR 74 HG1 THR 74 -9.834 1.711 7.138
563 HG21 THR 74 HG21 THR 74 -12.788 -0.372 7.438
564 HG22 THR 74 HG22 THR 74 -11.973 -0.634 5.902
565 HG23 THR 74 HG23 THR 74 -13.456 0.315 5.954
566 H ASP 75 HN ASP 75 -12.149 2.104 2.905
567 HA ASP 75 HA ASP 75 -14.793 3.208 3.324
568 HB2 ASP 75 HB2 ASP 75 -13.558 3.812 1.282
569 HB3 ASP 75 HB3 ASP 75 -13.512 2.120 0.802
570 H TRP 76 HN TRP 76 -16.417 2.002 3.965
571 HA TRP 76 HA TRP 76 -16.133 -0.849 4.079
572 HB2 TRP 76 HB2 TRP 76 -18.216 1.062 5.095
573 HB3 TRP 76 HB3 TRP 76 -18.386 -0.684 5.247
574 HD1 TRP 76 HD1 TRP 76 -16.581 2.272 6.771
575 HE1 TRP 76 HE1 TRP 76 -15.219 1.479 8.804
576 HE3 TRP 76 HE3 TRP 76 -17.016 -2.774 6.111
577 HZ2 TRP 76 HZ2 TRP 76 -14.421 -0.966 9.961
578 HZ3 TRP 76 HZ3 TRP 76 -15.912 -4.269 7.713
579 HH2 TRP 76 HH2 TRP 76 -14.641 -3.387 9.601
580 H PHE 77 HN PHE 77 -17.733 1.371 1.987
581 HA PHE 77 HA PHE 77 -19.731 -0.339 0.943
582 HB2 PHE 77 HB2 PHE 77 -19.797 2.046 0.514
583 HB3 PHE 77 HB3 PHE 77 -18.245 1.981 -0.312
584 HD1 PHE 77 HD1 PHE 77 -18.200 1.812 -2.611
585 HD2 PHE 77 HD2 PHE 77 -21.686 0.580 -0.508
586 HE1 PHE 77 HE1 PHE 77 -19.357 1.455 -4.751
587 HE2 PHE 77 HE2 PHE 77 -22.850 0.220 -2.646
588 HZ PHE 77 HZ PHE 77 -21.686 0.656 -4.770
589 H ASN 78 HN ASN 78 -16.499 0.490 -0.288
590 HA ASN 78 HA ASN 78 -16.603 -1.686 -2.181
591 HB2 ASN 78 HB2 ASN 78 -14.365 0.211 -1.462
592 HB3 ASN 78 HB3 ASN 78 -14.302 -0.968 -2.766
593 HD21 ASN 78 HD21 ASN 78 -15.692 2.014 -1.650
594 HD22 ASN 78 HD22 ASN 78 -16.320 2.521 -3.185
595 H ASN 79 HN ASN 79 -15.761 -1.338 1.078
596 HA ASN 79 HA ASN 79 -13.970 -3.513 1.368
597 HB2 ASN 79 HB2 ASN 79 -14.645 -1.791 3.123
598 HB3 ASN 79 HB3 ASN 79 -16.142 -2.690 3.310
599 HD21 ASN 79 HD21 ASN 79 -14.017 -2.093 5.199
600 HD22 ASN 79 HD22 ASN 79 -13.491 -3.614 5.820
601 H ASP 80 HN ASP 80 -17.279 -3.248 0.540
602 HA ASP 80 HA ASP 80 -17.991 -5.943 1.305
603 HB2 ASP 80 HB2 ASP 80 -19.730 -4.286 1.457
604 HB3 ASP 80 HB3 ASP 80 -19.472 -3.789 -0.210
605 H VAL 81 HN VAL 81 -17.082 -4.143 -1.569
606 HA VAL 81 HA VAL 81 -17.566 -6.295 -3.375
607 HB VAL 81 HB VAL 81 -16.566 -5.021 -5.048
608 HG11 VAL 81 HG11 VAL 81 -18.599 -4.007 -4.335
609 HG12 VAL 81 HG12 VAL 81 -17.458 -2.736 -4.770
610 HG13 VAL 81 HG13 VAL 81 -17.759 -3.109 -3.073
611 HG21 VAL 81 HG21 VAL 81 -15.139 -3.371 -2.982
612 HG22 VAL 81 HG22 VAL 81 -15.066 -3.131 -4.727
613 HG23 VAL 81 HG23 VAL 81 -14.406 -4.601 -4.011
614 H CYS 82 HN CYS 82 -15.025 -5.495 -1.200
615 HA CYS 82 HA CYS 82 -13.188 -7.400 -2.413
616 HB2 CYS 82 HB2 CYS 82 -12.869 -5.701 0.067
617 HB3 CYS 82 HB3 CYS 82 -11.608 -6.672 -0.686
618 H GLY 83 HN GLY 83 -15.287 -7.071 0.374
619 HA2 GLY 83 HA2 GLY 83 -16.296 -8.797 1.549
620 HA3 GLY 83 HA1 GLY 83 -15.276 -9.944 0.694
621 H SER 84 HN SER 84 -12.889 -9.793 1.324
622 HA SER 84 HA SER 84 -12.809 -9.958 4.233
623 HB2 SER 84 HB2 SER 84 -10.672 -10.723 2.234
624 HB3 SER 84 HB3 SER 84 -10.740 -11.177 3.937
625 HG SER 84 HG SER 84 -12.922 -11.822 2.306
626 H TYR 85 HN TYR 85 -10.941 -8.416 1.617
627 HA TYR 85 HA TYR 85 -9.452 -6.814 3.488
628 HB2 TYR 85 HB2 TYR 85 -9.534 -7.034 0.503
629 HB3 TYR 85 HB3 TYR 85 -8.755 -5.643 1.260
630 HD1 TYR 85 HD1 TYR 85 -6.793 -6.695 -0.133
631 HD2 TYR 85 HD2 TYR 85 -8.481 -8.469 3.353
632 HE1 TYR 85 HE1 TYR 85 -4.771 -7.981 0.190
633 HE2 TYR 85 HE2 TYR 85 -6.431 -9.763 3.686
634 HH TYR 85 HH TYR 85 -3.548 -9.136 2.127
635 H ARG 86 HN ARG 86 -9.451 -4.583 3.618
636 HA ARG 86 HA ARG 86 -12.057 -3.363 3.153
637 HB2 ARG 86 HB2 ARG 86 -11.211 -1.555 4.584
638 HB3 ARG 86 HB3 ARG 86 -11.119 -3.111 5.391
639 HG2 ARG 86 HG2 ARG 86 -8.706 -3.201 4.782
640 HG3 ARG 86 HG3 ARG 86 -8.856 -1.559 4.152
641 HD2 ARG 86 HD2 ARG 86 -8.004 -1.359 6.352
642 HD3 ARG 86 HD3 ARG 86 -9.700 -0.886 6.427
643 HE ARG 86 HE ARG 86 -9.083 -3.657 7.062
644 HH11 ARG 86 HH11 ARG 86 -9.878 -0.448 8.234
645 HH12 ARG 86 HH12 ARG 86 -10.225 -0.994 9.848
646 HH21 ARG 86 HH21 ARG 86 -9.567 -4.371 9.177
647 HH22 ARG 86 HH22 ARG 86 -10.074 -3.222 10.374
648 H CYS 87 HN CYS 87 -12.293 -1.462 1.936
649 HA CYS 87 HA CYS 87 -10.310 -1.216 -0.155
650 HB2 CYS 87 HB2 CYS 87 -12.739 -1.187 -0.670
651 HB3 CYS 87 HB3 CYS 87 -12.881 0.325 0.222
652 H CYS 88 HN CYS 88 -8.605 0.009 0.150
653 HA CYS 88 HA CYS 88 -8.632 2.125 2.101
654 HB2 CYS 88 HB2 CYS 88 -6.470 1.154 0.220
655 HB3 CYS 88 HB3 CYS 88 -6.237 2.359 1.486
656 H ARG 89 HN ARG 89 -10.107 3.549 1.255
657 HA ARG 89 HA ARG 89 -9.655 4.758 -1.347
658 HB2 ARG 89 HB2 ARG 89 -11.793 4.857 0.718
659 HB3 ARG 89 HB3 ARG 89 -11.654 6.216 -0.379
660 HG2 ARG 89 HG2 ARG 89 -11.734 3.463 -1.497
661 HG3 ARG 89 HG3 ARG 89 -13.226 4.192 -0.898
662 HD2 ARG 89 HD2 ARG 89 -11.384 5.338 -2.990
663 HD3 ARG 89 HD3 ARG 89 -12.973 4.627 -3.267
664 HE ARG 89 HE ARG 89 -12.398 7.226 -2.059
665 HH11 ARG 89 HH11 ARG 89 -14.797 4.836 -2.973
666 HH12 ARG 89 HH12 ARG 89 -16.111 5.963 -2.943
667 HH21 ARG 89 HH21 ARG 89 -14.134 8.701 -2.017
668 HH22 ARG 89 HH22 ARG 89 -15.737 8.157 -2.395
669 HA PRO 90 HA PRO 90 -6.831 7.888 -0.043
670 HB2 PRO 90 HB2 PRO 90 -8.510 9.456 -1.968
671 HB3 PRO 90 HB3 PRO 90 -6.752 9.382 -1.817
672 HG2 PRO 90 HG2 PRO 90 -7.913 7.992 -3.718
673 HG3 PRO 90 HG3 PRO 90 -6.645 7.220 -2.738
674 HD2 PRO 90 HD2 PRO 90 -9.616 6.887 -2.592
675 HD3 PRO 90 HD3 PRO 90 -8.329 5.676 -2.407
676 H GLY 91 HN GLY 91 -6.841 9.132 1.678
677 HA2 GLY 91 HA2 GLY 91 -7.766 11.374 2.431
678 HA3 GLY 91 HA1 GLY 91 -9.315 10.554 2.410
679 H ARG 92 HN ARG 92 -9.853 10.581 4.459
680 HA ARG 92 HA ARG 92 -8.587 8.630 6.119
681 HB2 ARG 92 HB2 ARG 92 -7.395 10.900 6.499
682 HB3 ARG 92 HB3 ARG 92 -8.862 11.342 7.365
683 HG2 ARG 92 HG2 ARG 92 -7.234 10.512 8.919
684 HG3 ARG 92 HG3 ARG 92 -8.574 9.370 8.795
685 HD2 ARG 92 HD2 ARG 92 -7.272 7.978 7.282
686 HD3 ARG 92 HD3 ARG 92 -5.937 9.125 7.355
687 HE ARG 92 HE ARG 92 -6.155 8.516 9.912
688 HH11 ARG 92 HH11 ARG 92 -6.324 6.384 7.128
689 HH12 ARG 92 HH12 ARG 92 -5.635 5.036 7.973
690 HH21 ARG 92 HH21 ARG 92 -5.263 6.741 11.012
691 HH22 ARG 92 HH22 ARG 92 -5.026 5.239 10.178
692 H AAR 93 HN AAR 93 -10.968 11.202 5.805
693 HA AAR 93 HA AAR 93 -13.181 11.315 6.271
694 HB2 AAR 93 HB2 AAR 93 -13.103 9.588 4.528
695 HB3 AAR 93 HB3 AAR 93 -12.955 8.352 5.762
696 HG2 AAR 93 HG2 AAR 93 -15.174 8.884 6.590
697 HG3 AAR 93 HG3 AAR 93 -15.320 10.175 5.396
698 HD2 AAR 93 HD2 AAR 93 -15.159 8.558 3.591
699 HD3 AAR 93 HD3 AAR 93 -14.925 7.255 4.754
700 HE AAR 93 HE AAR 93 -17.385 8.795 4.988
701 HH11 AAR 93 HH21 AAR 93 -19.326 7.612 4.806
702 HH12 AAR 93 HH22 AAR 93 -19.282 5.969 4.246
703 HH21 AAR 93 HH11 AAR 93 -15.809 5.909 3.794
704 HH22 AAR 93 HH12 AAR 93 -17.281 5.004 3.655
705 HNT1 AAR 93 HNT1 AAR 93 -12.780 11.916 8.491
706 HNT2 AAR 93 HNT2 AAR 93 -13.245 10.836 9.777
Start of MODEL 9
1 H PCA 1 HT1 PCA 1 1.143 -4.494 9.117
2 HA PCA 1 HA PCA 1 -0.502 -2.496 8.224
3 HB2 PCA 1 HB2 PCA 1 0.376 -1.577 10.833
4 HB3 PCA 1 HB3 PCA 1 -1.240 -1.510 10.121
5 HG2 PCA 1 HG2 PCA 1 -0.288 -3.346 12.108
6 HG3 PCA 1 HG3 PCA 1 -1.881 -3.355 11.299
7 HT2 PCA 1 HT2 PCA 1 -0.253 -4.601 8.363
8 H ALA 2 HN ALA 2 0.884 -0.332 8.716
9 HA ALA 2 HA ALA 2 3.282 -0.345 7.477
10 HB1 ALA 2 HB1 ALA 2 3.823 1.722 8.668
11 HB2 ALA 2 HB2 ALA 2 2.541 1.383 9.831
12 HB3 ALA 2 HB3 ALA 2 2.140 1.692 8.143
13 H GLN 3 HN GLN 3 5.401 -0.647 7.968
14 HA GLN 3 HA GLN 3 7.224 -1.613 8.868
15 HB2 GLN 3 HB2 GLN 3 6.440 -0.360 10.991
16 HB3 GLN 3 HB3 GLN 3 5.831 -1.922 11.508
17 HG2 GLN 3 HG2 GLN 3 8.681 -1.494 10.691
18 HG3 GLN 3 HG1 GLN 3 8.123 -1.238 12.341
19 HE21 GLN 3 HE21 GLN 3 10.064 -3.143 11.300
20 HE22 GLN 3 HE22 GLN 3 9.487 -4.712 11.752
21 H ALA 4 HN ALA 4 7.825 -3.635 8.497
22 HA ALA 4 HA ALA 4 7.682 -5.811 7.886
23 HB1 ALA 4 HB1 ALA 4 6.328 -7.347 9.207
24 HB2 ALA 4 HB2 ALA 4 5.478 -5.990 9.945
25 HB3 ALA 4 HB3 ALA 4 7.198 -6.227 10.256
26 H LEU 5 HN LEU 5 6.964 -4.944 5.855
27 HA LEU 5 HA LEU 5 4.092 -5.291 5.294
28 HB2 LEU 5 HB2 LEU 5 6.131 -3.685 3.732
29 HB3 LEU 5 HB3 LEU 5 4.424 -3.800 3.373
30 HG LEU 5 HG LEU 5 4.598 -1.720 4.353
31 HD11 LEU 5 HD11 LEU 5 2.836 -3.027 5.368
32 HD12 LEU 5 HD12 LEU 5 3.512 -1.864 6.502
33 HD13 LEU 5 HD13 LEU 5 3.948 -3.566 6.627
34 HD21 LEU 5 HD21 LEU 5 6.964 -2.035 5.086
35 HD22 LEU 5 HD22 LEU 5 6.350 -2.816 6.545
36 HD23 LEU 5 HD23 LEU 5 5.962 -1.125 6.216
37 H LEU 6 HN LEU 6 4.213 -5.423 2.558
38 HA LEU 6 HA LEU 6 4.952 -7.940 1.737
39 HB2 LEU 6 HB2 LEU 6 4.773 -5.302 0.299
40 HB3 LEU 6 HB3 LEU 6 5.316 -6.740 -0.552
41 HG LEU 6 HG LEU 6 2.960 -6.312 -0.978
42 HD11 LEU 6 HD11 LEU 6 3.736 -8.621 -0.942
43 HD12 LEU 6 HD12 LEU 6 2.065 -8.496 -0.395
44 HD13 LEU 6 HD13 LEU 6 3.361 -8.728 0.776
45 HD21 LEU 6 HD21 LEU 6 1.296 -6.504 0.820
46 HD22 LEU 6 HD22 LEU 6 2.375 -5.128 1.057
47 HD23 LEU 6 HD23 LEU 6 2.600 -6.599 2.004
48 HA PRO 7 HA PRO 7 9.357 -8.209 1.728
49 HB2 PRO 7 HB2 PRO 7 8.837 -9.608 -0.849
50 HB3 PRO 7 HB3 PRO 7 9.798 -10.130 0.539
51 HG2 PRO 7 HG2 PRO 7 7.395 -11.151 0.125
52 HG3 PRO 7 HG3 PRO 7 7.922 -10.765 1.762
53 HD2 PRO 7 HD2 PRO 7 6.044 -9.313 -0.042
54 HD3 PRO 7 HD3 PRO 7 5.971 -9.550 1.716
55 H ILE 8 HN ILE 8 11.098 -7.319 0.678
56 HA ILE 8 HA ILE 8 10.690 -4.977 -0.755
57 HB ILE 8 HB ILE 8 13.257 -5.465 -1.379
58 HG12 ILE 8 HG12 ILE 8 14.316 -6.643 0.516
59 HG13 ILE 8 HG11 ILE 8 12.728 -7.077 1.132
60 HG21 ILE 8 HG21 ILE 8 12.152 -4.546 1.268
61 HG22 ILE 8 HG22 ILE 8 12.446 -3.563 -0.169
62 HG23 ILE 8 HG23 ILE 8 13.807 -4.269 0.705
63 HD11 ILE 8 HD11 ILE 8 13.900 -7.961 -1.497
64 HD12 ILE 8 HD12 ILE 8 12.320 -8.418 -0.861
65 HD13 ILE 8 HD13 ILE 8 13.787 -8.935 -0.030
66 H ALA 9 HN ALA 9 10.760 -8.177 -1.938
67 HA ALA 9 HA ALA 9 11.557 -7.497 -4.610
68 HB1 ALA 9 HB1 ALA 9 11.932 -9.738 -3.735
69 HB2 ALA 9 HB2 ALA 9 10.910 -9.773 -5.172
70 HB3 ALA 9 HB3 ALA 9 10.192 -9.971 -3.575
71 H SER 10 HN SER 10 8.649 -7.402 -2.778
72 HA SER 10 HA SER 10 6.817 -7.588 -4.951
73 HB2 SER 10 HB2 SER 10 6.407 -6.284 -2.253
74 HB3 SER 10 HB3 SER 10 5.148 -6.845 -3.354
75 HG SER 10 HG SER 10 5.784 -8.949 -2.991
76 H TYR 11 HN TYR 11 8.740 -5.045 -3.587
77 HA TYR 11 HA TYR 11 7.358 -3.068 -5.268
78 HB2 TYR 11 HB2 TYR 11 9.484 -2.281 -3.362
79 HB3 TYR 11 HB3 TYR 11 8.069 -1.387 -3.882
80 HD1 TYR 11 HD1 TYR 11 9.441 -3.698 -1.482
81 HD2 TYR 11 HD2 TYR 11 5.873 -1.859 -2.857
82 HE1 TYR 11 HE1 TYR 11 8.329 -4.304 0.630
83 HE2 TYR 11 HE2 TYR 11 4.740 -2.456 -0.760
84 HH TYR 11 HH TYR 11 6.496 -3.810 1.930
85 H ALA 12 HN ALA 12 9.547 -5.212 -5.830
86 HA ALA 12 HA ALA 12 12.000 -4.042 -6.312
87 HB1 ALA 12 HB1 ALA 12 12.419 -5.853 -7.857
88 HB2 ALA 12 HB2 ALA 12 10.690 -6.175 -7.991
89 HB3 ALA 12 HB3 ALA 12 11.522 -6.452 -6.461
90 H GLY 13 HN GLY 13 12.423 -2.268 -7.402
91 HA2 GLY 13 HA2 GLY 13 12.625 -0.789 -9.142
92 HA3 GLY 13 HA1 GLY 13 11.906 -2.005 -10.190
93 H LEU 14 HN LEU 14 10.413 -0.673 -7.317
94 HA LEU 14 HA LEU 14 8.424 0.636 -9.040
95 HB2 LEU 14 HB2 LEU 14 7.897 -0.989 -6.560
96 HB3 LEU 14 HB3 LEU 14 6.686 -0.073 -7.436
97 HG LEU 14 HG LEU 14 8.241 -2.415 -8.535
98 HD11 LEU 14 HD11 LEU 14 5.428 -2.153 -7.509
99 HD12 LEU 14 HD12 LEU 14 6.708 -3.208 -6.911
100 HD13 LEU 14 HD13 LEU 14 5.991 -3.503 -8.492
101 HD21 LEU 14 HD21 LEU 14 7.660 -0.829 -10.278
102 HD22 LEU 14 HD22 LEU 14 5.985 -0.805 -9.726
103 HD23 LEU 14 HD23 LEU 14 6.667 -2.280 -10.413
104 H THR 15 HN THR 15 6.996 2.128 -7.733
105 HA THR 15 HA THR 15 8.695 3.676 -5.892
106 HB THR 15 HB THR 15 6.363 4.950 -7.237
107 HG1 THR 15 HG1 THR 15 8.076 3.570 -8.678
108 HG21 THR 15 HG21 THR 15 9.179 5.961 -7.043
109 HG22 THR 15 HG22 THR 15 8.090 6.037 -5.661
110 HG23 THR 15 HG23 THR 15 7.681 6.882 -7.154
111 H VAL 16 HN VAL 16 8.032 3.529 -3.820
112 HA VAL 16 HA VAL 16 5.218 2.814 -3.290
113 HB VAL 16 HB VAL 16 5.954 1.933 -1.154
114 HG11 VAL 16 HG11 VAL 16 7.245 0.027 -1.994
115 HG12 VAL 16 HG12 VAL 16 7.577 0.917 -3.481
116 HG13 VAL 16 HG13 VAL 16 5.922 0.459 -3.078
117 HG21 VAL 16 HG21 VAL 16 8.339 1.745 -0.620
118 HG22 VAL 16 HG22 VAL 16 7.817 3.426 -0.717
119 HG23 VAL 16 HG23 VAL 16 8.727 2.708 -2.046
120 H SER 17 HN SER 17 4.226 3.710 -1.363
121 HA SER 17 HA SER 17 4.531 6.537 -1.276
122 HB2 SER 17 HB2 SER 17 2.335 5.400 -0.995
123 HB3 SER 17 HB3 SER 17 2.901 4.766 0.543
124 HG SER 17 HG SER 17 1.832 7.171 -0.005
125 H ALA 18 HN ALA 18 4.876 7.783 0.768
126 HA ALA 18 HA ALA 18 7.304 7.129 1.964
127 HB1 ALA 18 HB1 ALA 18 5.188 8.960 3.068
128 HB2 ALA 18 HB2 ALA 18 6.432 9.401 1.901
129 HB3 ALA 18 HB3 ALA 18 6.886 8.925 3.538
130 HA PRO 19 HA PRO 19 4.514 5.611 5.863
131 HB2 PRO 19 HB2 PRO 19 2.511 4.328 4.063
132 HB3 PRO 19 HB3 PRO 19 2.304 4.977 5.693
133 HG2 PRO 19 HG2 PRO 19 1.473 6.336 3.558
134 HG3 PRO 19 HG3 PRO 19 2.197 7.167 4.948
135 HD2 PRO 19 HD2 PRO 19 3.328 6.620 2.263
136 HD3 PRO 19 HD3 PRO 19 3.654 7.960 3.371
137 H VAL 20 HN VAL 20 4.587 3.878 2.755
138 HA VAL 20 HA VAL 20 5.262 1.387 4.058
139 HB VAL 20 HB VAL 20 3.978 0.769 2.290
140 HG11 VAL 20 HG11 VAL 20 3.813 1.964 0.156
141 HG12 VAL 20 HG12 VAL 20 5.035 3.103 0.724
142 HG13 VAL 20 HG13 VAL 20 3.478 2.994 1.548
143 HG21 VAL 20 HG21 VAL 20 6.066 -0.353 1.797
144 HG22 VAL 20 HG22 VAL 20 6.637 1.051 0.895
145 HG23 VAL 20 HG23 VAL 20 5.280 0.103 0.281
146 H PHE 21 HN PHE 21 6.798 3.835 2.077
147 HA PHE 21 HA PHE 21 9.258 2.614 1.590
148 HB2 PHE 21 HB2 PHE 21 8.351 4.748 0.581
149 HB3 PHE 21 HB3 PHE 21 8.804 5.557 2.074
150 HD1 PHE 21 HD1 PHE 21 11.120 5.926 2.635
151 HD2 PHE 21 HD2 PHE 21 10.000 3.996 -0.980
152 HE1 PHE 21 HE1 PHE 21 13.402 6.223 1.775
153 HE2 PHE 21 HE2 PHE 21 12.283 4.276 -1.843
154 HZ PHE 21 HZ PHE 21 13.993 5.391 -0.469
155 H ALA 22 HN ALA 22 8.395 4.945 4.144
156 HA ALA 22 HA ALA 22 10.881 4.841 5.464
157 HB1 ALA 22 HB1 ALA 22 8.187 5.605 6.583
158 HB2 ALA 22 HB2 ALA 22 9.296 6.686 5.739
159 HB3 ALA 22 HB3 ALA 22 9.755 5.990 7.293
160 H ALA 23 HN ALA 23 7.965 2.917 5.751
161 HA ALA 23 HA ALA 23 8.740 1.621 8.175
162 HB1 ALA 23 HB1 ALA 23 6.720 0.841 6.080
163 HB2 ALA 23 HB2 ALA 23 6.406 1.772 7.545
164 HB3 ALA 23 HB3 ALA 23 6.904 0.084 7.663
165 H LEU 24 HN LEU 24 8.913 0.901 4.739
166 HA LEU 24 HA LEU 24 10.133 -1.604 4.821
167 HB2 LEU 24 HB2 LEU 24 9.708 0.550 2.944
168 HB3 LEU 24 HB3 LEU 24 11.278 -0.182 2.714
169 HG LEU 24 HG LEU 24 10.377 -2.221 2.051
170 HD11 LEU 24 HD11 LEU 24 8.068 -2.906 2.383
171 HD12 LEU 24 HD12 LEU 24 7.723 -1.384 3.210
172 HD13 LEU 24 HD13 LEU 24 8.837 -2.548 3.927
173 HD21 LEU 24 HD21 LEU 24 8.472 -0.073 1.170
174 HD22 LEU 24 HD22 LEU 24 8.684 -1.635 0.375
175 HD23 LEU 24 HD23 LEU 24 10.015 -0.478 0.421
176 H VAL 25 HN VAL 25 11.616 1.635 4.682
177 HA VAL 25 HA VAL 25 14.285 0.817 4.918
178 HB VAL 25 HB VAL 25 13.030 3.362 5.973
179 HG11 VAL 25 HG11 VAL 25 15.293 4.297 5.845
180 HG12 VAL 25 HG12 VAL 25 15.918 2.710 5.389
181 HG13 VAL 25 HG13 VAL 25 15.210 2.955 6.988
182 HG21 VAL 25 HG21 VAL 25 12.665 3.057 3.594
183 HG22 VAL 25 HG22 VAL 25 14.384 2.752 3.351
184 HG23 VAL 25 HG23 VAL 25 13.836 4.345 3.875
185 H THR 26 HN THR 26 11.777 1.155 7.275
186 HA THR 26 HA THR 26 13.364 1.062 9.608
187 HB THR 26 HB THR 26 10.478 0.255 9.149
188 HG1 THR 26 HG1 THR 26 10.950 2.490 8.892
189 HG21 THR 26 HG21 THR 26 11.328 -0.917 11.115
190 HG22 THR 26 HG22 THR 26 10.228 0.375 11.598
191 HG23 THR 26 HG23 THR 26 11.969 0.594 11.760
192 H VAL 27 HN VAL 27 11.942 -1.487 7.592
193 HA VAL 27 HA VAL 27 13.039 -3.504 9.418
194 HB VAL 27 HB VAL 27 10.879 -4.188 9.161
195 HG11 VAL 27 HG11 VAL 27 9.505 -3.873 7.164
196 HG12 VAL 27 HG12 VAL 27 10.886 -3.167 6.324
197 HG13 VAL 27 HG13 VAL 27 10.189 -2.345 7.722
198 HG21 VAL 27 HG21 VAL 27 12.068 -5.336 6.650
199 HG22 VAL 27 HG22 VAL 27 10.672 -5.964 7.525
200 HG23 VAL 27 HG23 VAL 27 12.269 -5.997 8.274
201 H TYR 28 HN TYR 28 12.900 -2.766 5.952
202 HA TYR 28 HA TYR 28 14.919 -4.761 5.349
203 HB2 TYR 28 HB2 TYR 28 13.459 -2.827 3.534
204 HB3 TYR 28 HB3 TYR 28 14.432 -4.199 3.011
205 HD1 TYR 28 HD1 TYR 28 13.667 -6.540 3.799
206 HD2 TYR 28 HD2 TYR 28 11.192 -3.086 3.937
207 HE1 TYR 28 HE1 TYR 28 11.678 -7.976 3.951
208 HE2 TYR 28 HE2 TYR 28 9.199 -4.507 4.092
209 HH TYR 28 HH TYR 28 9.329 -7.776 4.824
210 H GLY 29 HN GLY 29 14.593 -1.332 5.708
211 HA2 GLY 29 HA2 GLY 29 16.336 0.178 6.079
212 HA3 GLY 29 HA1 GLY 29 17.471 -1.025 5.482
213 H ALA 30 HN ALA 30 17.489 1.696 4.725
214 HA ALA 30 HA ALA 30 16.248 2.052 2.195
215 HB1 ALA 30 HB1 ALA 30 18.680 3.433 3.323
216 HB2 ALA 30 HB2 ALA 30 17.009 3.940 3.562
217 HB3 ALA 30 HB3 ALA 30 17.719 3.975 1.950
218 H TYR 31 HN TYR 31 19.115 0.489 3.298
219 HA TYR 31 HA TYR 31 20.549 0.299 0.906
220 HB2 TYR 31 HB2 TYR 31 21.404 -0.228 3.189
221 HB3 TYR 31 HB3 TYR 31 20.426 -1.691 3.178
222 HD1 TYR 31 HD1 TYR 31 22.902 0.018 1.004
223 HD2 TYR 31 HD2 TYR 31 21.506 -3.638 2.635
224 HE1 TYR 31 HE1 TYR 31 24.760 -1.170 -0.103
225 HE2 TYR 31 HE2 TYR 31 23.351 -4.851 1.540
226 HH TYR 31 HH TYR 31 26.018 -3.251 0.146
227 H ALA 32 HN ALA 32 18.218 -2.004 2.396
228 HA ALA 32 HA ALA 32 18.239 -3.791 0.221
229 HB1 ALA 32 HB1 ALA 32 16.066 -3.317 2.247
230 HB2 ALA 32 HB2 ALA 32 17.405 -4.456 2.402
231 HB3 ALA 32 HB3 ALA 32 16.175 -4.702 1.163
232 H LEU 33 HN LEU 33 16.167 -1.023 1.007
233 HA LEU 33 HA LEU 33 14.415 -1.347 -1.159
234 HB2 LEU 33 HB2 LEU 33 15.026 0.728 0.820
235 HB3 LEU 33 HB3 LEU 33 14.435 1.367 -0.706
236 HG LEU 33 HG LEU 33 12.421 0.009 -0.512
237 HD11 LEU 33 HD11 LEU 33 13.523 -1.861 0.735
238 HD12 LEU 33 HD12 LEU 33 11.964 -1.354 1.376
239 HD13 LEU 33 HD13 LEU 33 13.450 -0.855 2.182
240 HD21 LEU 33 HD21 LEU 33 11.409 1.180 1.320
241 HD22 LEU 33 HD22 LEU 33 12.550 2.255 0.511
242 HD23 LEU 33 HD23 LEU 33 12.988 1.491 2.039
243 H TYR 34 HN TYR 34 17.515 0.285 -0.893
244 HA TYR 34 HA TYR 34 17.488 1.421 -3.500
245 HB2 TYR 34 HB2 TYR 34 19.032 2.389 -2.015
246 HB3 TYR 34 HB3 TYR 34 19.613 0.827 -1.453
247 HD1 TYR 34 HD1 TYR 34 19.776 3.280 -4.195
248 HD2 TYR 34 HD2 TYR 34 21.363 -0.328 -2.587
249 HE1 TYR 34 HE1 TYR 34 21.668 3.423 -5.760
250 HE2 TYR 34 HE2 TYR 34 23.263 -0.189 -4.150
251 HH TYR 34 HH TYR 34 23.990 2.601 -5.922
252 H ARG 35 HN ARG 35 18.323 -1.650 -2.130
253 HA ARG 35 HA ARG 35 19.874 -2.654 -4.268
254 HB2 ARG 35 HB2 ARG 35 18.547 -3.770 -1.865
255 HB3 ARG 35 HB3 ARG 35 19.026 -4.900 -3.125
256 HG2 ARG 35 HG2 ARG 35 21.330 -3.922 -2.955
257 HG3 ARG 35 HG3 ARG 35 20.770 -3.050 -1.527
258 HD2 ARG 35 HD2 ARG 35 20.417 -6.006 -1.789
259 HD3 ARG 35 HD3 ARG 35 21.926 -5.328 -1.191
260 HE ARG 35 HE ARG 35 20.209 -4.155 0.436
261 HH11 ARG 35 HH11 ARG 35 20.244 -7.461 -0.688
262 HH12 ARG 35 HH12 ARG 35 19.602 -8.116 0.783
263 HH21 ARG 35 HH21 ARG 35 19.373 -5.013 2.407
264 HH22 ARG 35 HH22 ARG 35 19.100 -6.720 2.542
265 H TYR 36 HN TYR 36 16.455 -2.765 -3.498
266 HA TYR 36 HA TYR 36 15.965 -4.401 -5.873
267 HB2 TYR 36 HB2 TYR 36 14.219 -3.645 -3.537
268 HB3 TYR 36 HB3 TYR 36 13.622 -4.526 -4.943
269 HD1 TYR 36 HD1 TYR 36 16.108 -4.641 -2.213
270 HD2 TYR 36 HD2 TYR 36 13.947 -6.837 -5.131
271 HE1 TYR 36 HE1 TYR 36 16.956 -6.719 -1.239
272 HE2 TYR 36 HE2 TYR 36 14.775 -8.948 -4.164
273 HH TYR 36 HH TYR 36 16.604 -9.759 -2.807
274 H ASN 37 HN ASN 37 16.492 -1.346 -5.529
275 HA ASN 37 HA ASN 37 15.930 0.570 -6.600
276 HB2 ASN 37 HB2 ASN 37 16.161 -1.109 -8.538
277 HB3 ASN 37 HB3 ASN 37 14.407 -1.111 -8.585
278 HD21 ASN 37 HD21 ASN 37 13.326 0.718 -9.308
279 HD22 ASN 37 HD22 ASN 37 14.131 1.995 -10.147
280 H ILE 38 HN ILE 38 14.361 -0.068 -4.472
281 HA ILE 38 HA ILE 38 11.607 0.530 -5.213
282 HB ILE 38 HB ILE 38 12.853 0.115 -2.490
283 HG12 ILE 38 HG12 ILE 38 11.181 -1.782 -4.149
284 HG13 ILE 38 HG11 ILE 38 12.925 -1.879 -3.980
285 HG21 ILE 38 HG21 ILE 38 10.532 -0.162 -1.723
286 HG22 ILE 38 HG22 ILE 38 9.964 0.270 -3.337
287 HG23 ILE 38 HG23 ILE 38 10.838 1.453 -2.362
288 HD11 ILE 38 HD11 ILE 38 12.675 -2.246 -1.588
289 HD12 ILE 38 HD12 ILE 38 11.839 -3.471 -2.541
290 HD13 ILE 38 HD13 ILE 38 10.923 -2.175 -1.766
291 H ARG 39 HN ARG 39 10.938 2.556 -5.362
292 HA ARG 39 HA ARG 39 12.618 4.661 -4.165
293 HB2 ARG 39 HB2 ARG 39 10.693 5.513 -6.191
294 HB3 ARG 39 HB3 ARG 39 12.382 5.936 -6.005
295 HG2 ARG 39 HG2 ARG 39 11.376 3.384 -7.193
296 HG3 ARG 39 HG3 ARG 39 11.859 4.797 -8.117
297 HD2 ARG 39 HD2 ARG 39 13.586 3.037 -6.392
298 HD3 ARG 39 HD3 ARG 39 13.693 3.283 -8.130
299 HE ARG 39 HE ARG 39 14.126 5.590 -6.381
300 HH11 ARG 39 HH11 ARG 39 15.436 3.200 -8.578
301 HH12 ARG 39 HH12 ARG 39 16.926 4.049 -8.815
302 HH21 ARG 39 HH21 ARG 39 16.083 6.717 -6.705
303 HH22 ARG 39 HH22 ARG 39 17.293 6.055 -7.755
304 H ARG 40 HN ARG 40 11.086 6.775 -4.168
305 HA ARG 40 HA ARG 40 8.754 6.028 -2.526
306 HB2 ARG 40 HB2 ARG 40 10.815 7.080 -1.366
307 HB3 ARG 40 HB3 ARG 40 10.299 8.574 -2.135
308 HG2 ARG 40 HG2 ARG 40 8.170 8.468 -0.994
309 HG3 ARG 40 HG3 ARG 40 8.606 6.913 -0.281
310 HD2 ARG 40 HD2 ARG 40 8.987 8.571 1.379
311 HD3 ARG 40 HD3 ARG 40 10.565 8.066 0.782
312 HE ARG 40 HE ARG 40 9.503 10.356 -0.576
313 HH11 ARG 40 HH11 ARG 40 11.285 9.299 2.241
314 HH12 ARG 40 HH12 ARG 40 12.142 10.797 2.418
315 HH21 ARG 40 HH21 ARG 40 10.636 12.324 -0.354
316 HH22 ARG 40 HH22 ARG 40 11.769 12.522 0.948
317 H ARG 41 HN ARG 41 6.875 6.836 -3.134
318 HA ARG 41 HA ARG 41 6.898 8.566 -5.524
319 HB2 ARG 41 HB2 ARG 41 4.895 7.513 -6.212
320 HB3 ARG 41 HB3 ARG 41 5.919 6.219 -5.613
321 HG2 ARG 41 HG2 ARG 41 4.692 6.328 -3.453
322 HG3 ARG 41 HG3 ARG 41 3.597 7.498 -4.189
323 HD2 ARG 41 HD2 ARG 41 4.006 4.609 -4.916
324 HD3 ARG 41 HD3 ARG 41 2.531 5.393 -4.355
325 HE ARG 41 HE ARG 41 3.615 5.399 -7.047
326 HH11 ARG 41 HH11 ARG 41 1.330 6.830 -4.823
327 HH12 ARG 41 HH12 ARG 41 0.282 7.406 -6.076
328 HH21 ARG 41 HH21 ARG 41 2.226 6.138 -8.696
329 HH22 ARG 41 HH22 ARG 41 0.783 7.017 -8.272
330 H GLU 42 HN GLU 42 5.423 10.292 -5.747
331 HA GLU 42 HA GLU 42 4.275 11.383 -3.349
332 HB2 GLU 42 HB2 GLU 42 4.092 12.140 -6.243
333 HB3 GLU 42 HB3 GLU 42 3.038 12.879 -5.052
334 HG2 GLU 42 HG2 GLU 42 5.993 13.104 -5.371
335 HG3 GLU 42 HG3 GLU 42 4.784 14.373 -5.208
336 H ASN 43 HN ASN 43 2.081 11.575 -2.906
337 HA ASN 43 HA ASN 43 0.066 10.298 -4.369
338 HB2 ASN 43 HB2 ASN 43 -0.246 8.275 -3.073
339 HB3 ASN 43 HB3 ASN 43 1.361 8.311 -3.783
340 HD21 ASN 43 HD21 ASN 43 3.144 8.895 -2.410
341 HD22 ASN 43 HD22 ASN 43 3.059 8.569 -0.716
342 H SER 44 HN SER 44 -1.510 11.606 -3.848
343 HA SER 44 HA SER 44 -2.136 12.050 -1.016
344 HB2 SER 44 HB2 SER 44 -2.235 13.980 -2.644
345 HB3 SER 44 HB3 SER 44 -3.539 13.144 -3.481
346 HG SER 44 HG SER 44 -3.522 14.269 -0.887
347 H TYR 45 HN TYR 45 -2.258 9.586 -2.774
348 HA TYR 45 HA TYR 45 -4.923 8.667 -2.092
349 HB2 TYR 45 HB2 TYR 45 -5.439 7.946 -4.345
350 HB3 TYR 45 HB3 TYR 45 -5.078 9.667 -4.373
351 HD1 TYR 45 HD1 TYR 45 -2.515 10.221 -4.873
352 HD2 TYR 45 HD2 TYR 45 -4.494 6.616 -5.977
353 HE1 TYR 45 HE1 TYR 45 -0.832 9.853 -6.620
354 HE2 TYR 45 HE2 TYR 45 -2.821 6.238 -7.736
355 HH TYR 45 HH TYR 45 -1.245 7.721 -9.126
356 H GLN 46 HN GLN 46 -5.076 6.264 -2.934
357 HA GLN 46 HA GLN 46 -2.753 4.932 -1.828
358 HB2 GLN 46 HB2 GLN 46 -4.724 4.203 -0.835
359 HB3 GLN 46 HB3 GLN 46 -5.612 4.205 -2.345
360 HG2 GLN 46 HG2 GLN 46 -5.277 1.963 -1.624
361 HG3 GLN 46 HG1 GLN 46 -4.318 2.262 -3.068
362 HE21 GLN 46 HE21 GLN 46 -4.234 1.658 0.342
363 HE22 GLN 46 HE22 GLN 46 -2.548 1.329 0.452
364 H ARG 47 HN ARG 47 -1.383 3.771 -2.956
365 HA ARG 47 HA ARG 47 -1.967 2.471 -5.423
366 HB2 ARG 47 HB2 ARG 47 -1.495 5.058 -5.881
367 HB3 ARG 47 HB3 ARG 47 0.174 4.530 -5.747
368 HG2 ARG 47 HG2 ARG 47 -1.877 3.534 -7.705
369 HG3 ARG 47 HG3 ARG 47 -0.501 4.572 -8.061
370 HD2 ARG 47 HD2 ARG 47 0.345 2.558 -8.722
371 HD3 ARG 47 HD3 ARG 47 0.827 2.529 -7.025
372 HE ARG 47 HE ARG 47 -1.737 1.390 -7.307
373 HH11 ARG 47 HH11 ARG 47 1.625 0.701 -7.950
374 HH12 ARG 47 HH12 ARG 47 1.396 -1.013 -7.976
375 HH21 ARG 47 HH21 ARG 47 -2.043 -0.863 -7.311
376 HH22 ARG 47 HH22 ARG 47 -0.699 -1.913 -7.619
377 H ILE 48 HN ILE 48 -1.196 0.940 -3.709
378 HA ILE 48 HA ILE 48 1.727 0.701 -3.806
379 HB ILE 48 HB ILE 48 0.074 0.260 -1.308
380 HG12 ILE 48 HG12 ILE 48 2.137 2.422 -1.688
381 HG13 ILE 48 HG11 ILE 48 0.451 2.688 -2.114
382 HG21 ILE 48 HG21 ILE 48 2.235 -0.000 -0.191
383 HG22 ILE 48 HG22 ILE 48 3.059 0.195 -1.738
384 HG23 ILE 48 HG23 ILE 48 2.019 -1.202 -1.464
385 HD11 ILE 48 HD11 ILE 48 1.484 1.942 0.612
386 HD12 ILE 48 HD12 ILE 48 -0.205 2.218 0.185
387 HD13 ILE 48 HD13 ILE 48 0.953 3.545 0.101
388 H ARG 49 HN ARG 49 2.271 -1.282 -4.576
389 HA ARG 49 HA ARG 49 0.320 -3.311 -4.970
390 HB2 ARG 49 HB2 ARG 49 3.315 -3.326 -5.274
391 HB3 ARG 49 HB3 ARG 49 2.329 -4.747 -5.586
392 HG2 ARG 49 HG2 ARG 49 1.028 -3.303 -7.212
393 HG3 ARG 49 HG3 ARG 49 2.330 -2.126 -7.042
394 HD2 ARG 49 HD2 ARG 49 3.944 -3.807 -7.784
395 HD3 ARG 49 HD3 ARG 49 2.645 -4.987 -7.947
396 HE ARG 49 HE ARG 49 1.882 -2.857 -9.506
397 HH11 ARG 49 HH11 ARG 49 4.584 -5.087 -9.421
398 HH12 ARG 49 HH12 ARG 49 4.924 -4.928 -11.115
399 HH21 ARG 49 HH21 ARG 49 2.327 -2.660 -11.729
400 HH22 ARG 49 HH22 ARG 49 3.654 -3.544 -12.423
401 H SER 50 HN SER 50 -0.509 -4.553 -3.504
402 HA SER 50 HA SER 50 1.201 -5.519 -1.315
403 HB2 SER 50 HB2 SER 50 -1.812 -5.371 -1.366
404 HB3 SER 50 HB3 SER 50 -0.782 -5.717 0.025
405 HG SER 50 HG SER 50 -0.290 -3.348 -1.347
406 H ASP 51 HN ASP 51 -0.611 -7.571 -0.519
407 HA ASP 51 HA ASP 51 0.530 -9.705 -1.920
408 HB2 ASP 51 HB2 ASP 51 -1.831 -9.671 -0.043
409 HB3 ASP 51 HB3 ASP 51 -1.061 -11.139 -0.630
410 H HIS 52 HN HIS 52 -1.238 -11.659 -2.387
411 HA HIS 52 HA HIS 52 -2.084 -11.004 -4.998
412 HB2 HIS 52 HB2 HIS 52 -2.753 -13.292 -5.203
413 HB3 HIS 52 HB3 HIS 52 -1.248 -13.240 -4.309
414 HD1 HIS 52 HD1 HIS 52 -4.700 -14.465 -4.134
415 HD2 HIS 52 HD2 HIS 52 -1.568 -13.779 -1.486
416 HE1 HIS 52 HE1 HIS 52 -5.295 -15.722 -2.044
417 HE2 HIS 52 HE2 HIS 52 -3.491 -15.115 -0.395
418 H ASP 53 HN ASP 53 -3.824 -11.154 -1.942
419 HA ASP 53 HA ASP 53 -6.429 -11.267 -3.138
420 HB2 ASP 53 HB2 ASP 53 -5.777 -10.199 -0.388
421 HB3 ASP 53 HB3 ASP 53 -7.323 -10.806 -0.961
422 H SER 54 HN SER 54 -4.108 -8.903 -2.943
423 HA SER 54 HA SER 54 -5.778 -6.612 -2.657
424 HB2 SER 54 HB2 SER 54 -2.950 -7.070 -3.503
425 HB3 SER 54 HB3 SER 54 -3.683 -5.477 -3.637
426 HG SER 54 HG SER 54 -4.099 -5.570 -1.402
427 H HIS 55 HN HIS 55 -6.193 -5.057 -4.260
428 HA HIS 55 HA HIS 55 -5.832 -5.354 -6.979
429 HB2 HIS 55 HB2 HIS 55 -8.100 -6.036 -7.745
430 HB3 HIS 55 HB3 HIS 55 -7.178 -7.330 -7.007
431 HD1 HIS 55 HD1 HIS 55 -10.398 -5.638 -6.851
432 HD2 HIS 55 HD2 HIS 55 -8.048 -7.924 -4.296
433 HE1 HIS 55 HE1 HIS 55 -11.957 -6.459 -5.057
434 HE2 HIS 55 HE2 HIS 55 -10.567 -8.063 -3.701
435 H SER 56 HN SER 56 -7.672 -4.116 -8.217
436 HA SER 56 HA SER 56 -7.792 -1.547 -6.937
437 HB2 SER 56 HB2 SER 56 -8.934 -0.896 -9.114
438 HB3 SER 56 HB3 SER 56 -7.301 -1.545 -9.266
439 HG SER 56 HG SER 56 -9.424 -3.360 -9.389
440 H CYS 57 HN CYS 57 -9.505 -0.528 -6.052
441 HA CYS 57 HA CYS 57 -12.190 -1.615 -6.491
442 HB2 CYS 57 HB2 CYS 57 -12.726 -1.325 -4.096
443 HB3 CYS 57 HB3 CYS 57 -11.487 -2.551 -4.350
444 H ALA 58 HN ALA 58 -13.862 -0.011 -5.627
445 HA ALA 58 HA ALA 58 -14.831 2.030 -5.826
446 HB1 ALA 58 HB1 ALA 58 -13.515 2.490 -3.814
447 HB2 ALA 58 HB2 ALA 58 -13.657 3.929 -4.826
448 HB3 ALA 58 HB3 ALA 58 -12.157 3.004 -4.815
449 H ASN 59 HN ASN 59 -13.591 0.914 -8.122
450 HA ASN 59 HA ASN 59 -13.138 1.409 -10.287
451 HB2 ASN 59 HB2 ASN 59 -13.879 4.222 -9.456
452 HB3 ASN 59 HB3 ASN 59 -13.545 3.738 -11.116
453 HD21 ASN 59 HD21 ASN 59 -14.991 2.369 -12.178
454 HD22 ASN 59 HD22 ASN 59 -16.614 2.160 -11.622
455 H ASN 60 HN ASN 60 -11.097 1.195 -8.467
456 HA ASN 60 HA ASN 60 -8.878 1.453 -8.206
457 HB2 ASN 60 HB2 ASN 60 -8.917 1.091 -10.684
458 HB3 ASN 60 HB3 ASN 60 -8.899 2.836 -10.891
459 HD21 ASN 60 HD21 ASN 60 -7.117 1.280 -8.310
460 HD22 ASN 60 HD22 ASN 60 -5.550 1.571 -8.972
461 H ARG 61 HN ARG 61 -10.727 3.518 -7.293
462 HA ARG 61 HA ARG 61 -8.906 5.793 -7.119
463 HB2 ARG 61 HB2 ARG 61 -11.674 5.321 -6.000
464 HB3 ARG 61 HB3 ARG 61 -10.709 6.741 -5.614
465 HG2 ARG 61 HG2 ARG 61 -10.649 7.339 -7.989
466 HG3 ARG 61 HG3 ARG 61 -11.640 5.927 -8.360
467 HD2 ARG 61 HD2 ARG 61 -12.477 8.136 -6.495
468 HD3 ARG 61 HD3 ARG 61 -12.900 8.080 -8.204
469 HE ARG 61 HE ARG 61 -13.707 5.663 -7.138
470 HH11 ARG 61 HH11 ARG 61 -14.403 9.049 -6.557
471 HH12 ARG 61 HH12 ARG 61 -16.054 8.766 -6.100
472 HH21 ARG 61 HH21 ARG 61 -15.883 5.282 -6.509
473 HH22 ARG 61 HH22 ARG 61 -16.897 6.620 -6.076
474 H GLY 62 HN GLY 62 -9.441 2.848 -5.744
475 HA2 GLY 62 HA2 GLY 62 -7.576 3.470 -3.590
476 HA3 GLY 62 HA1 GLY 62 -9.122 2.755 -3.134
477 H TRP 63 HN TRP 63 -6.457 1.656 -2.853
478 HA TRP 63 HA TRP 63 -6.728 -0.734 -4.547
479 HB2 TRP 63 HB2 TRP 63 -4.553 0.408 -4.744
480 HB3 TRP 63 HB3 TRP 63 -4.310 0.255 -3.009
481 HD1 TRP 63 HD1 TRP 63 -3.361 -1.952 -2.102
482 HE1 TRP 63 HE1 TRP 63 -2.478 -4.095 -3.177
483 HE3 TRP 63 HE3 TRP 63 -4.991 -1.149 -6.864
484 HZ2 TRP 63 HZ2 TRP 63 -2.461 -5.297 -5.759
485 HZ3 TRP 63 HZ3 TRP 63 -4.504 -2.828 -8.578
486 HH2 TRP 63 HH2 TRP 63 -3.271 -4.864 -8.042
487 H CYS 64 HN CYS 64 -7.282 -2.604 -3.653
488 HA CYS 64 HA CYS 64 -8.090 -2.832 -0.956
489 HB2 CYS 64 HB2 CYS 64 -7.499 -4.978 -2.988
490 HB3 CYS 64 HB3 CYS 64 -8.306 -5.252 -1.455
491 H ARG 65 HN ARG 65 -6.881 -3.005 0.764
492 HA ARG 65 HA ARG 65 -4.408 -4.590 0.620
493 HB2 ARG 65 HB2 ARG 65 -4.804 -1.854 1.798
494 HB3 ARG 65 HB3 ARG 65 -3.568 -2.929 2.430
495 HG2 ARG 65 HG2 ARG 65 -2.657 -3.098 0.109
496 HG3 ARG 65 HG3 ARG 65 -3.780 -1.810 -0.334
497 HD2 ARG 65 HD2 ARG 65 -1.321 -1.237 0.381
498 HD3 ARG 65 HD3 ARG 65 -2.668 -0.223 0.890
499 HE ARG 65 HE ARG 65 -2.354 -0.896 3.057
500 HH11 ARG 65 HH11 ARG 65 -0.475 -3.001 0.968
501 HH12 ARG 65 HH12 ARG 65 0.483 -3.628 2.276
502 HH21 ARG 65 HH21 ARG 65 -1.085 -1.715 4.754
503 HH22 ARG 65 HH22 ARG 65 0.136 -2.900 4.418
504 HA PRO 66 HA PRO 66 -5.930 -6.446 4.368
505 HB2 PRO 66 HB2 PRO 66 -3.348 -6.584 5.648
506 HB3 PRO 66 HB3 PRO 66 -4.253 -7.878 4.868
507 HG2 PRO 66 HG2 PRO 66 -1.904 -6.820 3.908
508 HG3 PRO 66 HG3 PRO 66 -3.104 -7.668 2.919
509 HD2 PRO 66 HD2 PRO 66 -2.591 -4.747 3.193
510 HD3 PRO 66 HD3 PRO 66 -3.110 -5.677 1.773
511 H THR 67 HN THR 67 -3.750 -3.722 4.664
512 HA THR 67 HA THR 67 -5.381 -2.656 6.830
513 HB THR 67 HB THR 67 -2.393 -2.509 7.123
514 HG1 THR 67 HG1 THR 67 -4.077 -4.539 8.230
515 HG21 THR 67 HG21 THR 67 -3.006 -2.211 9.504
516 HG22 THR 67 HG22 THR 67 -4.706 -2.312 9.052
517 HG23 THR 67 HG23 THR 67 -3.714 -0.981 8.458
518 H CYS 68 HN CYS 68 -5.312 -0.376 6.918
519 HA CYS 68 HA CYS 68 -4.307 0.819 4.438
520 HB2 CYS 68 HB2 CYS 68 -6.421 1.724 6.397
521 HB3 CYS 68 HB3 CYS 68 -5.925 2.645 4.988
522 H PHE 69 HN PHE 69 -3.201 2.776 4.413
523 HA PHE 69 HA PHE 69 -1.648 3.325 6.842
524 HB2 PHE 69 HB2 PHE 69 -1.315 4.335 4.011
525 HB3 PHE 69 HB3 PHE 69 -0.234 4.703 5.348
526 HD1 PHE 69 HD1 PHE 69 -1.013 2.432 2.720
527 HD2 PHE 69 HD2 PHE 69 0.974 2.775 6.463
528 HE1 PHE 69 HE1 PHE 69 0.303 0.428 2.199
529 HE2 PHE 69 HE2 PHE 69 2.293 0.774 5.952
530 HZ PHE 69 HZ PHE 69 1.961 -0.409 3.812
531 H SER 70 HN SER 70 -1.126 5.662 7.262
532 HA SER 70 HA SER 70 -3.606 7.090 7.596
533 HB2 SER 70 HB2 SER 70 -1.763 6.994 9.321
534 HB3 SER 70 HB3 SER 70 -0.807 8.034 8.265
535 HG SER 70 HG SER 70 -2.092 9.695 8.693
536 H HIS 71 HN HIS 71 -4.353 7.789 5.639
537 HA HIS 71 HA HIS 71 -3.855 9.984 4.301
538 HB2 HIS 71 HB2 HIS 71 -2.232 9.759 2.579
539 HB3 HIS 71 HB3 HIS 71 -1.417 9.210 4.033
540 HD1 HIS 71 HD1 HIS 71 -0.522 8.451 1.144
541 HD2 HIS 71 HD2 HIS 71 -2.861 6.074 3.610
542 HE1 HIS 71 HE1 HIS 71 -0.219 6.103 0.306
543 HE2 HIS 71 HE2 HIS 71 -1.914 4.764 1.605
544 H GLU 72 HN GLU 72 -4.562 6.734 4.435
545 HA GLU 72 HA GLU 72 -6.763 7.112 2.545
546 HB2 GLU 72 HB2 GLU 72 -6.530 4.811 1.791
547 HB3 GLU 72 HB3 GLU 72 -5.004 5.666 1.530
548 HG2 GLU 72 HG2 GLU 72 -4.480 4.703 3.929
549 HG3 GLU 72 HG3 GLU 72 -5.673 3.506 3.435
550 H TYR 73 HN TYR 73 -8.532 5.460 3.071
551 HA TYR 73 HA TYR 73 -8.518 4.668 5.896
552 HB2 TYR 73 HB2 TYR 73 -10.848 5.504 6.147
553 HB3 TYR 73 HB3 TYR 73 -9.686 6.795 5.881
554 HD1 TYR 73 HD1 TYR 73 -12.427 4.865 4.360
555 HD2 TYR 73 HD2 TYR 73 -9.749 8.145 3.926
556 HE1 TYR 73 HE1 TYR 73 -13.745 5.656 2.443
557 HE2 TYR 73 HE2 TYR 73 -11.052 8.953 1.995
558 HH TYR 73 HH TYR 73 -12.622 8.107 0.339
559 H THR 74 HN THR 74 -10.401 3.261 6.382
560 HA THR 74 HA THR 74 -10.579 1.197 4.389
561 HB THR 74 HB THR 74 -11.847 1.387 7.129
562 HG1 THR 74 HG1 THR 74 -9.308 1.058 6.438
563 HG21 THR 74 HG21 THR 74 -11.850 -1.151 6.864
564 HG22 THR 74 HG22 THR 74 -11.606 -0.849 5.145
565 HG23 THR 74 HG23 THR 74 -13.049 -0.244 5.946
566 H ASP 75 HN ASP 75 -11.901 1.827 2.715
567 HA ASP 75 HA ASP 75 -14.555 2.845 3.259
568 HB2 ASP 75 HB2 ASP 75 -13.299 3.439 1.162
569 HB3 ASP 75 HB3 ASP 75 -13.464 1.766 0.647
570 H TRP 76 HN TRP 76 -15.905 1.521 4.212
571 HA TRP 76 HA TRP 76 -15.525 -1.299 4.238
572 HB2 TRP 76 HB2 TRP 76 -17.686 0.474 5.374
573 HB3 TRP 76 HB3 TRP 76 -17.625 -1.268 5.625
574 HD1 TRP 76 HD1 TRP 76 -16.087 1.968 6.825
575 HE1 TRP 76 HE1 TRP 76 -14.465 1.475 8.764
576 HE3 TRP 76 HE3 TRP 76 -15.971 -3.123 6.488
577 HZ2 TRP 76 HZ2 TRP 76 -13.293 -0.791 9.983
578 HZ3 TRP 76 HZ3 TRP 76 -14.576 -4.380 8.069
579 HH2 TRP 76 HH2 TRP 76 -13.263 -3.241 9.782
580 H PHE 77 HN PHE 77 -17.428 0.829 2.295
581 HA PHE 77 HA PHE 77 -19.349 -1.117 1.464
582 HB2 PHE 77 HB2 PHE 77 -19.799 1.268 1.173
583 HB3 PHE 77 HB3 PHE 77 -18.415 1.416 0.093
584 HD1 PHE 77 HD1 PHE 77 -21.632 -0.417 0.457
585 HD2 PHE 77 HD2 PHE 77 -18.721 1.209 -2.184
586 HE1 PHE 77 HE1 PHE 77 -23.072 -0.967 -1.464
587 HE2 PHE 77 HE2 PHE 77 -20.152 0.665 -4.104
588 HZ PHE 77 HZ PHE 77 -22.332 -0.426 -3.747
589 H ASN 78 HN ASN 78 -16.341 0.141 0.060
590 HA ASN 78 HA ASN 78 -16.371 -1.827 -2.023
591 HB2 ASN 78 HB2 ASN 78 -14.321 0.181 -1.131
592 HB3 ASN 78 HB3 ASN 78 -13.984 -0.997 -2.395
593 HD21 ASN 78 HD21 ASN 78 -15.789 1.829 -1.505
594 HD22 ASN 78 HD22 ASN 78 -16.322 2.224 -3.108
595 H ASN 79 HN ASN 79 -15.367 -1.831 1.266
596 HA ASN 79 HA ASN 79 -13.568 -3.965 1.261
597 HB2 ASN 79 HB2 ASN 79 -15.695 -3.111 3.193
598 HB3 ASN 79 HB3 ASN 79 -14.922 -4.670 3.412
599 HD21 ASN 79 HD21 ASN 79 -13.990 -4.080 5.320
600 HD22 ASN 79 HD22 ASN 79 -12.683 -2.960 5.406
601 H ASP 80 HN ASP 80 -17.043 -3.874 0.864
602 HA ASP 80 HA ASP 80 -17.535 -6.644 0.856
603 HB2 ASP 80 HB2 ASP 80 -19.332 -5.007 1.082
604 HB3 ASP 80 HB3 ASP 80 -19.012 -4.401 -0.538
605 H VAL 81 HN VAL 81 -16.660 -4.375 -1.740
606 HA VAL 81 HA VAL 81 -16.827 -6.394 -3.775
607 HB VAL 81 HB VAL 81 -16.134 -4.817 -5.322
608 HG11 VAL 81 HG11 VAL 81 -18.235 -4.124 -4.448
609 HG12 VAL 81 HG12 VAL 81 -17.263 -2.679 -4.734
610 HG13 VAL 81 HG13 VAL 81 -17.461 -3.300 -3.097
611 HG21 VAL 81 HG21 VAL 81 -14.882 -2.774 -4.838
612 HG22 VAL 81 HG22 VAL 81 -13.996 -4.219 -4.351
613 HG23 VAL 81 HG23 VAL 81 -14.807 -3.232 -3.137
614 H CYS 82 HN CYS 82 -14.467 -5.444 -1.492
615 HA CYS 82 HA CYS 82 -12.257 -6.668 -2.908
616 HB2 CYS 82 HB2 CYS 82 -12.465 -5.412 -0.173
617 HB3 CYS 82 HB3 CYS 82 -10.982 -6.103 -0.821
618 H GLY 83 HN GLY 83 -14.622 -7.563 -0.567
619 HA2 GLY 83 HA2 GLY 83 -15.148 -9.662 0.222
620 HA3 GLY 83 HA1 GLY 83 -13.819 -10.306 -0.731
621 H SER 84 HN SER 84 -11.752 -10.430 0.174
622 HA SER 84 HA SER 84 -11.772 -10.855 3.021
623 HB2 SER 84 HB2 SER 84 -9.355 -10.975 1.220
624 HB3 SER 84 HB3 SER 84 -9.653 -11.871 2.709
625 HG SER 84 HG SER 84 -11.566 -12.708 1.374
626 H TYR 85 HN TYR 85 -10.254 -8.610 0.763
627 HA TYR 85 HA TYR 85 -8.804 -7.277 2.886
628 HB2 TYR 85 HB2 TYR 85 -8.830 -7.140 -0.090
629 HB3 TYR 85 HB3 TYR 85 -8.215 -5.755 0.816
630 HD1 TYR 85 HD1 TYR 85 -6.197 -6.550 -0.714
631 HD2 TYR 85 HD2 TYR 85 -7.602 -8.639 2.721
632 HE1 TYR 85 HE1 TYR 85 -4.034 -7.617 -0.480
633 HE2 TYR 85 HE2 TYR 85 -5.418 -9.720 2.957
634 HH TYR 85 HH TYR 85 -3.498 -10.288 1.582
635 H ARG 86 HN ARG 86 -8.742 -4.875 2.805
636 HA ARG 86 HA ARG 86 -11.485 -3.830 2.745
637 HB2 ARG 86 HB2 ARG 86 -10.703 -2.163 4.353
638 HB3 ARG 86 HB3 ARG 86 -10.420 -3.785 4.955
639 HG2 ARG 86 HG2 ARG 86 -8.057 -3.578 4.211
640 HG3 ARG 86 HG3 ARG 86 -8.391 -1.896 3.791
641 HD2 ARG 86 HD2 ARG 86 -7.366 -2.046 5.992
642 HD3 ARG 86 HD3 ARG 86 -9.020 -1.443 6.112
643 HE ARG 86 HE ARG 86 -8.836 -4.285 6.437
644 HH11 ARG 86 HH11 ARG 86 -8.515 -1.219 8.101
645 HH12 ARG 86 HH12 ARG 86 -8.869 -1.886 9.662
646 HH21 ARG 86 HH21 ARG 86 -9.322 -5.161 8.486
647 HH22 ARG 86 HH22 ARG 86 -9.323 -4.131 9.883
648 H CYS 87 HN CYS 87 -11.826 -1.693 1.856
649 HA CYS 87 HA CYS 87 -9.974 -1.236 -0.350
650 HB2 CYS 87 HB2 CYS 87 -12.409 -1.294 -0.767
651 HB3 CYS 87 HB3 CYS 87 -12.599 0.113 0.273
652 H CYS 88 HN CYS 88 -8.312 0.046 -0.013
653 HA CYS 88 HA CYS 88 -8.444 2.087 2.032
654 HB2 CYS 88 HB2 CYS 88 -6.191 1.148 0.255
655 HB3 CYS 88 HB3 CYS 88 -6.028 2.389 1.495
656 H ARG 89 HN ARG 89 -9.709 3.674 1.339
657 HA ARG 89 HA ARG 89 -9.220 4.920 -1.266
658 HB2 ARG 89 HB2 ARG 89 -11.461 4.992 0.715
659 HB3 ARG 89 HB3 ARG 89 -11.272 6.329 -0.403
660 HG2 ARG 89 HG2 ARG 89 -11.411 3.493 -1.354
661 HG3 ARG 89 HG3 ARG 89 -12.866 4.438 -1.026
662 HD2 ARG 89 HD2 ARG 89 -10.665 5.135 -2.965
663 HD3 ARG 89 HD3 ARG 89 -12.287 4.583 -3.374
664 HE ARG 89 HE ARG 89 -11.561 7.211 -2.292
665 HH11 ARG 89 HH11 ARG 89 -14.039 5.055 -3.499
666 HH12 ARG 89 HH12 ARG 89 -15.156 6.328 -3.853
667 HH21 ARG 89 HH21 ARG 89 -13.022 8.896 -2.777
668 HH22 ARG 89 HH22 ARG 89 -14.582 8.514 -3.431
669 HA PRO 90 HA PRO 90 -6.651 8.087 0.319
670 HB2 PRO 90 HB2 PRO 90 -8.151 9.957 -1.439
671 HB3 PRO 90 HB3 PRO 90 -6.422 9.600 -1.391
672 HG2 PRO 90 HG2 PRO 90 -7.917 8.646 -3.361
673 HG3 PRO 90 HG3 PRO 90 -6.667 7.627 -2.615
674 HD2 PRO 90 HD2 PRO 90 -9.629 7.609 -2.174
675 HD3 PRO 90 HD3 PRO 90 -8.517 6.248 -2.362
676 H GLY 91 HN GLY 91 -6.813 9.018 2.234
677 HA2 GLY 91 HA2 GLY 91 -7.872 11.219 3.106
678 HA3 GLY 91 HA1 GLY 91 -9.346 10.279 2.997
679 H ARG 92 HN ARG 92 -9.811 10.277 5.123
680 HA ARG 92 HA ARG 92 -8.677 8.145 6.620
681 HB2 ARG 92 HB2 ARG 92 -7.077 10.084 6.991
682 HB3 ARG 92 HB3 ARG 92 -8.386 10.854 7.878
683 HG2 ARG 92 HG2 ARG 92 -8.466 8.791 9.322
684 HG3 ARG 92 HG3 ARG 92 -6.964 8.293 8.542
685 HD2 ARG 92 HD2 ARG 92 -6.508 9.412 10.652
686 HD3 ARG 92 HD3 ARG 92 -5.892 10.358 9.298
687 HE ARG 92 HE ARG 92 -8.468 11.263 9.874
688 HH11 ARG 92 HH11 ARG 92 -5.325 11.172 11.400
689 HH12 ARG 92 HH12 ARG 92 -5.584 12.626 12.306
690 HH21 ARG 92 HH21 ARG 92 -8.810 13.180 11.056
691 HH22 ARG 92 HH22 ARG 92 -7.562 13.778 12.104
692 H AAR 93 HN AAR 93 -11.134 8.568 5.654
693 HA AAR 93 HA AAR 93 -12.922 9.774 7.504
694 HB2 AAR 93 HB2 AAR 93 -13.282 7.932 5.147
695 HB3 AAR 93 HB3 AAR 93 -14.631 8.508 6.105
696 HG2 AAR 93 HG2 AAR 93 -14.082 10.807 5.546
697 HG3 AAR 93 HG3 AAR 93 -12.672 10.257 4.637
698 HD2 AAR 93 HD2 AAR 93 -14.134 9.053 3.093
699 HD3 AAR 93 HD3 AAR 93 -15.547 9.579 4.011
700 HE AAR 93 HE AAR 93 -14.361 11.913 3.382
701 HH11 AAR 93 HH21 AAR 93 -14.738 13.150 1.518
702 HH12 AAR 93 HH22 AAR 93 -15.254 12.370 0.054
703 HH21 AAR 93 HH11 AAR 93 -15.233 9.142 1.422
704 HH22 AAR 93 HH12 AAR 93 -15.535 10.084 -0.002
705 HNT1 AAR 93 HNT1 AAR 93 -13.370 6.443 6.433
706 HNT2 AAR 93 HNT2 AAR 93 -13.450 5.737 8.021
Start of MODEL 10
1 H PCA 1 HT1 PCA 1 2.497 4.542 8.356
2 HA PCA 1 HA PCA 1 4.544 3.302 9.637
3 HB2 PCA 1 HB2 PCA 1 2.204 2.194 10.938
4 HB3 PCA 1 HB3 PCA 1 3.723 2.739 11.662
5 HG2 PCA 1 HG2 PCA 1 1.222 4.106 11.691
6 HG3 PCA 1 HG3 PCA 1 2.800 4.743 12.233
7 HT2 PCA 1 HT2 PCA 1 3.841 5.167 8.934
8 H ALA 2 HN ALA 2 4.717 1.280 8.767
9 HA ALA 2 HA ALA 2 2.413 0.192 7.301
10 HB1 ALA 2 HB1 ALA 2 5.240 -0.036 6.322
11 HB2 ALA 2 HB2 ALA 2 4.159 1.258 5.817
12 HB3 ALA 2 HB3 ALA 2 3.751 -0.418 5.461
13 H GLN 3 HN GLN 3 5.741 -0.806 8.010
14 HA GLN 3 HA GLN 3 6.712 -2.505 9.055
15 HB2 GLN 3 HB2 GLN 3 5.425 -1.498 10.947
16 HB3 GLN 3 HB3 GLN 3 4.203 -2.738 10.680
17 HG2 GLN 3 HG2 GLN 3 5.682 -3.406 12.447
18 HG3 GLN 3 HG1 GLN 3 5.871 -4.458 11.047
19 HE21 GLN 3 HE21 GLN 3 7.925 -5.118 11.636
20 HE22 GLN 3 HE22 GLN 3 9.299 -4.072 11.523
21 H ALA 4 HN ALA 4 7.135 -4.491 8.527
22 HA ALA 4 HA ALA 4 6.999 -6.552 7.587
23 HB1 ALA 4 HB1 ALA 4 4.308 -6.620 8.949
24 HB2 ALA 4 HB2 ALA 4 5.850 -7.021 9.706
25 HB3 ALA 4 HB3 ALA 4 5.230 -8.014 8.386
26 H LEU 5 HN LEU 5 6.891 -5.392 5.505
27 HA LEU 5 HA LEU 5 4.237 -5.524 4.246
28 HB2 LEU 5 HB2 LEU 5 6.636 -3.990 3.231
29 HB3 LEU 5 HB3 LEU 5 4.984 -3.876 2.667
30 HG LEU 5 HG LEU 5 5.230 -1.927 3.880
31 HD11 LEU 5 HD11 LEU 5 4.094 -3.973 5.762
32 HD12 LEU 5 HD12 LEU 5 3.225 -2.983 4.590
33 HD13 LEU 5 HD13 LEU 5 3.973 -2.233 5.999
34 HD21 LEU 5 HD21 LEU 5 7.462 -2.575 4.813
35 HD22 LEU 5 HD22 LEU 5 6.605 -3.385 6.127
36 HD23 LEU 5 HD23 LEU 5 6.439 -1.642 5.906
37 H LEU 6 HN LEU 6 4.978 -5.471 1.629
38 HA LEU 6 HA LEU 6 5.647 -8.059 0.892
39 HB2 LEU 6 HB2 LEU 6 5.829 -5.417 -0.542
40 HB3 LEU 6 HB3 LEU 6 6.312 -6.910 -1.328
41 HG LEU 6 HG LEU 6 4.108 -6.384 -2.052
42 HD11 LEU 6 HD11 LEU 6 3.911 -8.542 0.037
43 HD12 LEU 6 HD12 LEU 6 4.530 -8.744 -1.602
44 HD13 LEU 6 HD13 LEU 6 2.837 -8.321 -1.343
45 HD21 LEU 6 HD21 LEU 6 2.233 -6.062 -0.522
46 HD22 LEU 6 HD22 LEU 6 3.484 -4.840 -0.286
47 HD23 LEU 6 HD23 LEU 6 3.336 -6.181 0.850
48 HA PRO 7 HA PRO 7 10.101 -8.224 1.114
49 HB2 PRO 7 HB2 PRO 7 10.252 -9.503 -1.510
50 HB3 PRO 7 HB3 PRO 7 10.599 -10.185 0.079
51 HG2 PRO 7 HG2 PRO 7 8.453 -10.921 -1.392
52 HG3 PRO 7 HG3 PRO 7 8.457 -10.919 0.371
53 HD2 PRO 7 HD2 PRO 7 7.272 -8.939 -1.513
54 HD3 PRO 7 HD3 PRO 7 6.631 -9.546 0.026
55 H ILE 8 HN ILE 8 12.018 -7.409 0.143
56 HA ILE 8 HA ILE 8 11.698 -4.933 -1.105
57 HB ILE 8 HB ILE 8 14.285 -5.434 -1.672
58 HG12 ILE 8 HG12 ILE 8 15.232 -6.684 0.258
59 HG13 ILE 8 HG11 ILE 8 13.604 -7.163 0.716
60 HG21 ILE 8 HG21 ILE 8 14.747 -4.382 0.546
61 HG22 ILE 8 HG22 ILE 8 13.021 -4.551 0.907
62 HG23 ILE 8 HG23 ILE 8 13.551 -3.554 -0.450
63 HD11 ILE 8 HD11 ILE 8 13.365 -8.370 -1.387
64 HD12 ILE 8 HD12 ILE 8 14.760 -8.941 -0.472
65 HD13 ILE 8 HD13 ILE 8 14.989 -7.875 -1.858
66 H ALA 9 HN ALA 9 11.993 -8.083 -2.489
67 HA ALA 9 HA ALA 9 12.782 -7.162 -5.080
68 HB1 ALA 9 HB1 ALA 9 13.289 -9.429 -4.389
69 HB2 ALA 9 HB2 ALA 9 12.264 -9.433 -5.824
70 HB3 ALA 9 HB3 ALA 9 11.570 -9.786 -4.242
71 H SER 10 HN SER 10 9.789 -7.526 -3.352
72 HA SER 10 HA SER 10 8.069 -7.507 -5.599
73 HB2 SER 10 HB2 SER 10 7.375 -8.187 -3.310
74 HB3 SER 10 HB3 SER 10 7.486 -6.500 -2.812
75 HG SER 10 HG SER 10 5.613 -7.766 -4.453
76 H TYR 11 HN TYR 11 9.859 -5.006 -3.985
77 HA TYR 11 HA TYR 11 8.410 -2.971 -5.547
78 HB2 TYR 11 HB2 TYR 11 10.466 -2.225 -3.546
79 HB3 TYR 11 HB3 TYR 11 9.038 -1.346 -4.054
80 HD1 TYR 11 HD1 TYR 11 6.843 -1.901 -3.084
81 HD2 TYR 11 HD2 TYR 11 10.415 -3.766 -1.766
82 HE1 TYR 11 HE1 TYR 11 5.695 -2.631 -1.040
83 HE2 TYR 11 HE2 TYR 11 9.281 -4.503 0.299
84 HH TYR 11 HH TYR 11 7.419 -4.099 1.587
85 H ALA 12 HN ALA 12 10.725 -4.954 -6.236
86 HA ALA 12 HA ALA 12 13.119 -3.597 -6.528
87 HB1 ALA 12 HB1 ALA 12 12.829 -6.017 -6.847
88 HB2 ALA 12 HB2 ALA 12 13.719 -5.265 -8.172
89 HB3 ALA 12 HB3 ALA 12 12.024 -5.704 -8.384
90 H GLY 13 HN GLY 13 13.470 -1.742 -7.485
91 HA2 GLY 13 HA2 GLY 13 13.514 -0.062 -9.041
92 HA3 GLY 13 HA1 GLY 13 13.043 -1.256 -10.240
93 H LEU 14 HN LEU 14 11.308 -0.250 -7.354
94 HA LEU 14 HA LEU 14 9.211 0.905 -9.061
95 HB2 LEU 14 HB2 LEU 14 8.801 -1.003 -6.760
96 HB3 LEU 14 HB3 LEU 14 7.517 -0.176 -7.623
97 HG LEU 14 HG LEU 14 9.437 -2.132 -8.886
98 HD11 LEU 14 HD11 LEU 14 7.487 -3.656 -8.929
99 HD12 LEU 14 HD12 LEU 14 6.617 -2.513 -7.904
100 HD13 LEU 14 HD13 LEU 14 8.075 -3.305 -7.303
101 HD21 LEU 14 HD21 LEU 14 8.559 -0.535 -10.471
102 HD22 LEU 14 HD22 LEU 14 6.915 -0.834 -9.908
103 HD23 LEU 14 HD23 LEU 14 7.810 -2.110 -10.734
104 H THR 15 HN THR 15 7.763 2.343 -7.931
105 HA THR 15 HA THR 15 9.214 3.809 -5.848
106 HB THR 15 HB THR 15 6.855 4.921 -7.320
107 HG1 THR 15 HG1 THR 15 8.115 5.424 -9.070
108 HG21 THR 15 HG21 THR 15 9.431 6.191 -6.403
109 HG22 THR 15 HG22 THR 15 7.939 6.172 -5.469
110 HG23 THR 15 HG23 THR 15 8.003 7.018 -7.015
111 H VAL 16 HN VAL 16 8.524 3.523 -3.836
112 HA VAL 16 HA VAL 16 5.705 2.783 -3.368
113 HB VAL 16 HB VAL 16 6.402 1.796 -1.275
114 HG11 VAL 16 HG11 VAL 16 6.427 0.397 -3.247
115 HG12 VAL 16 HG12 VAL 16 7.745 -0.060 -2.168
116 HG13 VAL 16 HG13 VAL 16 8.077 0.897 -3.613
117 HG21 VAL 16 HG21 VAL 16 9.199 2.608 -2.053
118 HG22 VAL 16 HG22 VAL 16 8.764 1.601 -0.672
119 HG23 VAL 16 HG23 VAL 16 8.249 3.287 -0.733
120 H SER 17 HN SER 17 4.716 3.643 -1.420
121 HA SER 17 HA SER 17 5.136 6.450 -1.275
122 HB2 SER 17 HB2 SER 17 2.884 5.370 -1.144
123 HB3 SER 17 HB3 SER 17 3.322 4.781 0.458
124 HG SER 17 HG SER 17 3.459 7.522 -0.212
125 H ALA 18 HN ALA 18 5.442 7.649 0.785
126 HA ALA 18 HA ALA 18 7.806 6.936 2.040
127 HB1 ALA 18 HB1 ALA 18 7.367 8.688 3.641
128 HB2 ALA 18 HB2 ALA 18 5.669 8.726 3.170
129 HB3 ALA 18 HB3 ALA 18 6.913 9.209 2.020
130 HA PRO 19 HA PRO 19 4.927 5.326 5.818
131 HB2 PRO 19 HB2 PRO 19 2.986 4.033 3.962
132 HB3 PRO 19 HB3 PRO 19 2.731 4.683 5.585
133 HG2 PRO 19 HG2 PRO 19 1.942 6.025 3.420
134 HG3 PRO 19 HG3 PRO 19 2.600 6.864 4.834
135 HD2 PRO 19 HD2 PRO 19 3.834 6.350 2.189
136 HD3 PRO 19 HD3 PRO 19 4.096 7.692 3.314
137 H VAL 20 HN VAL 20 5.030 3.645 2.687
138 HA VAL 20 HA VAL 20 5.679 1.131 3.949
139 HB VAL 20 HB VAL 20 4.383 0.562 2.189
140 HG11 VAL 20 HG11 VAL 20 3.889 2.813 1.504
141 HG12 VAL 20 HG12 VAL 20 4.182 1.807 0.086
142 HG13 VAL 20 HG13 VAL 20 5.426 2.922 0.647
143 HG21 VAL 20 HG21 VAL 20 5.668 -0.039 0.121
144 HG22 VAL 20 HG22 VAL 20 6.437 -0.578 1.617
145 HG23 VAL 20 HG23 VAL 20 7.042 0.853 0.782
146 H PHE 21 HN PHE 21 7.246 3.601 2.033
147 HA PHE 21 HA PHE 21 9.721 2.415 1.553
148 HB2 PHE 21 HB2 PHE 21 8.812 4.591 0.638
149 HB3 PHE 21 HB3 PHE 21 9.245 5.324 2.174
150 HD1 PHE 21 HD1 PHE 21 11.588 5.549 2.820
151 HD2 PHE 21 HD2 PHE 21 10.439 4.038 -0.980
152 HE1 PHE 21 HE1 PHE 21 13.876 5.906 1.994
153 HE2 PHE 21 HE2 PHE 21 12.724 4.377 -1.813
154 HZ PHE 21 HZ PHE 21 14.451 5.317 -0.332
155 H ALA 22 HN ALA 22 8.781 4.611 4.198
156 HA ALA 22 HA ALA 22 11.218 4.472 5.590
157 HB1 ALA 22 HB1 ALA 22 8.475 5.111 6.670
158 HB2 ALA 22 HB2 ALA 22 9.588 6.261 5.927
159 HB3 ALA 22 HB3 ALA 22 10.013 5.482 7.451
160 H ALA 23 HN ALA 23 8.315 2.494 5.732
161 HA ALA 23 HA ALA 23 9.056 1.070 8.086
162 HB1 ALA 23 HB1 ALA 23 7.272 -0.478 7.383
163 HB2 ALA 23 HB2 ALA 23 7.122 0.427 5.871
164 HB3 ALA 23 HB3 ALA 23 6.749 1.206 7.409
165 H LEU 24 HN LEU 24 9.348 0.563 4.625
166 HA LEU 24 HA LEU 24 10.612 -1.919 4.592
167 HB2 LEU 24 HB2 LEU 24 10.249 0.362 2.844
168 HB3 LEU 24 HB3 LEU 24 11.822 -0.371 2.625
169 HG LEU 24 HG LEU 24 10.937 -2.344 1.791
170 HD11 LEU 24 HD11 LEU 24 8.588 -3.010 2.030
171 HD12 LEU 24 HD12 LEU 24 8.298 -1.591 3.036
172 HD13 LEU 24 HD13 LEU 24 9.396 -2.856 3.586
173 HD21 LEU 24 HD21 LEU 24 9.285 -1.664 0.120
174 HD22 LEU 24 HD22 LEU 24 10.578 -0.477 0.285
175 HD23 LEU 24 HD23 LEU 24 9.005 -0.172 1.019
176 H VAL 25 HN VAL 25 12.020 1.345 4.740
177 HA VAL 25 HA VAL 25 14.694 0.573 5.076
178 HB VAL 25 HB VAL 25 13.316 3.027 6.191
179 HG11 VAL 25 HG11 VAL 25 15.564 4.015 6.244
180 HG12 VAL 25 HG12 VAL 25 16.246 2.462 5.751
181 HG13 VAL 25 HG13 VAL 25 15.434 2.614 7.311
182 HG21 VAL 25 HG21 VAL 25 14.821 2.592 3.616
183 HG22 VAL 25 HG22 VAL 25 14.230 4.148 4.202
184 HG23 VAL 25 HG23 VAL 25 13.087 2.871 3.784
185 H THR 26 HN THR 26 12.033 0.591 7.248
186 HA THR 26 HA THR 26 13.487 0.484 9.686
187 HB THR 26 HB THR 26 10.663 -0.375 9.018
188 HG1 THR 26 HG1 THR 26 11.204 1.901 8.838
189 HG21 THR 26 HG21 THR 26 11.429 -1.552 11.005
190 HG22 THR 26 HG22 THR 26 10.244 -0.318 11.436
191 HG23 THR 26 HG23 THR 26 11.960 -0.031 11.722
192 H VAL 27 HN VAL 27 12.366 -1.953 7.398
193 HA VAL 27 HA VAL 27 13.381 -4.052 9.185
194 HB VAL 27 HB VAL 27 11.251 -4.774 8.806
195 HG11 VAL 27 HG11 VAL 27 11.321 -3.605 6.027
196 HG12 VAL 27 HG12 VAL 27 10.603 -2.841 7.445
197 HG13 VAL 27 HG13 VAL 27 9.926 -4.341 6.813
198 HG21 VAL 27 HG21 VAL 27 12.501 -5.728 6.241
199 HG22 VAL 27 HG22 VAL 27 11.160 -6.478 7.111
200 HG23 VAL 27 HG23 VAL 27 12.775 -6.458 7.825
201 H TYR 28 HN TYR 28 13.316 -3.150 5.749
202 HA TYR 28 HA TYR 28 15.457 -5.005 5.132
203 HB2 TYR 28 HB2 TYR 28 14.041 -3.007 3.357
204 HB3 TYR 28 HB3 TYR 28 15.073 -4.325 2.816
205 HD1 TYR 28 HD1 TYR 28 11.764 -3.332 3.660
206 HD2 TYR 28 HD2 TYR 28 14.306 -6.723 3.357
207 HE1 TYR 28 HE1 TYR 28 9.791 -4.788 3.594
208 HE2 TYR 28 HE2 TYR 28 12.336 -8.196 3.280
209 HH TYR 28 HH TYR 28 9.182 -7.034 2.777
210 H GLY 29 HN GLY 29 14.963 -1.621 5.688
211 HA2 GLY 29 HA2 GLY 29 16.617 -0.068 6.244
212 HA3 GLY 29 HA1 GLY 29 17.833 -1.176 5.624
213 H ALA 30 HN ALA 30 17.795 1.565 5.050
214 HA ALA 30 HA ALA 30 16.690 2.060 2.474
215 HB1 ALA 30 HB1 ALA 30 19.008 3.412 3.858
216 HB2 ALA 30 HB2 ALA 30 17.314 3.883 3.988
217 HB3 ALA 30 HB3 ALA 30 18.152 4.020 2.444
218 H TYR 31 HN TYR 31 19.527 0.560 3.702
219 HA TYR 31 HA TYR 31 21.186 0.483 1.476
220 HB2 TYR 31 HB2 TYR 31 21.608 -0.261 3.888
221 HB3 TYR 31 HB3 TYR 31 20.820 -1.771 3.446
222 HD1 TYR 31 HD1 TYR 31 23.444 0.473 2.060
223 HD2 TYR 31 HD2 TYR 31 22.222 -3.496 2.918
224 HE1 TYR 31 HE1 TYR 31 25.609 -0.362 1.226
225 HE2 TYR 31 HE2 TYR 31 24.373 -4.353 2.085
226 HH TYR 31 HH TYR 31 27.026 -2.258 1.372
227 H ALA 32 HN ALA 32 18.843 -2.027 2.541
228 HA ALA 32 HA ALA 32 19.090 -3.565 0.204
229 HB1 ALA 32 HB1 ALA 32 18.209 -4.485 2.283
230 HB2 ALA 32 HB2 ALA 32 17.074 -4.716 0.953
231 HB3 ALA 32 HB3 ALA 32 16.792 -3.448 2.146
232 H LEU 33 HN LEU 33 16.814 -1.003 1.142
233 HA LEU 33 HA LEU 33 15.156 -1.206 -1.103
234 HB2 LEU 33 HB2 LEU 33 15.642 0.732 1.031
235 HB3 LEU 33 HB3 LEU 33 15.108 1.470 -0.469
236 HG LEU 33 HG LEU 33 13.115 0.063 -0.468
237 HD11 LEU 33 HD11 LEU 33 12.598 -1.448 1.270
238 HD12 LEU 33 HD12 LEU 33 13.983 -0.934 2.231
239 HD13 LEU 33 HD13 LEU 33 14.233 -1.848 0.745
240 HD21 LEU 33 HD21 LEU 33 13.157 2.248 0.692
241 HD22 LEU 33 HD22 LEU 33 13.520 1.396 2.194
242 HD23 LEU 33 HD23 LEU 33 11.988 1.113 1.366
243 H TYR 34 HN TYR 34 18.170 0.535 -0.609
244 HA TYR 34 HA TYR 34 18.172 1.881 -3.107
245 HB2 TYR 34 HB2 TYR 34 19.658 2.793 -1.548
246 HB3 TYR 34 HB3 TYR 34 20.247 1.217 -1.037
247 HD1 TYR 34 HD1 TYR 34 20.413 3.741 -3.737
248 HD2 TYR 34 HD2 TYR 34 22.117 0.214 -2.066
249 HE1 TYR 34 HE1 TYR 34 22.350 3.976 -5.235
250 HE2 TYR 34 HE2 TYR 34 24.062 0.441 -3.564
251 HH TYR 34 HH TYR 34 24.668 3.282 -5.369
252 H ARG 35 HN ARG 35 19.263 -1.220 -1.939
253 HA ARG 35 HA ARG 35 20.797 -1.985 -4.153
254 HB2 ARG 35 HB2 ARG 35 19.472 -3.398 -1.896
255 HB3 ARG 35 HB3 ARG 35 20.081 -4.360 -3.243
256 HG2 ARG 35 HG2 ARG 35 22.291 -3.251 -2.898
257 HG3 ARG 35 HG3 ARG 35 21.627 -2.530 -1.432
258 HD2 ARG 35 HD2 ARG 35 21.199 -4.712 -0.507
259 HD3 ARG 35 HD3 ARG 35 21.735 -5.486 -1.998
260 HE ARG 35 HE ARG 35 23.743 -3.799 -0.852
261 HH11 ARG 35 HH11 ARG 35 22.299 -6.990 -0.694
262 HH12 ARG 35 HH12 ARG 35 23.722 -7.738 -0.039
263 HH21 ARG 35 HH21 ARG 35 25.619 -4.787 -0.003
264 HH22 ARG 35 HH22 ARG 35 25.606 -6.487 0.358
265 H TYR 36 HN TYR 36 17.378 -2.326 -3.443
266 HA TYR 36 HA TYR 36 16.987 -3.783 -5.947
267 HB2 TYR 36 HB2 TYR 36 15.172 -3.270 -3.596
268 HB3 TYR 36 HB3 TYR 36 14.638 -4.069 -5.072
269 HD1 TYR 36 HD1 TYR 36 15.102 -6.352 -5.441
270 HD2 TYR 36 HD2 TYR 36 17.024 -4.292 -2.270
271 HE1 TYR 36 HE1 TYR 36 15.989 -8.490 -4.596
272 HE2 TYR 36 HE2 TYR 36 17.919 -6.401 -1.416
273 HH TYR 36 HH TYR 36 17.783 -9.324 -3.211
274 H ASN 37 HN ASN 37 17.432 -0.759 -5.503
275 HA ASN 37 HA ASN 37 16.759 1.210 -6.422
276 HB2 ASN 37 HB2 ASN 37 17.100 -0.331 -8.464
277 HB3 ASN 37 HB3 ASN 37 15.349 -0.408 -8.540
278 HD21 ASN 37 HD21 ASN 37 14.190 1.477 -9.055
279 HD22 ASN 37 HD22 ASN 37 14.951 2.819 -9.831
280 H ILE 38 HN ILE 38 15.151 0.360 -4.371
281 HA ILE 38 HA ILE 38 12.396 0.738 -5.191
282 HB ILE 38 HB ILE 38 13.584 0.418 -2.431
283 HG12 ILE 38 HG12 ILE 38 12.173 -1.575 -4.218
284 HG13 ILE 38 HG11 ILE 38 13.898 -1.545 -3.899
285 HG21 ILE 38 HG21 ILE 38 11.271 -0.075 -1.745
286 HG22 ILE 38 HG22 ILE 38 10.720 0.332 -3.371
287 HG23 ILE 38 HG23 ILE 38 11.453 1.572 -2.351
288 HD11 ILE 38 HD11 ILE 38 13.434 -1.953 -1.526
289 HD12 ILE 38 HD12 ILE 38 12.873 -3.246 -2.584
290 HD13 ILE 38 HD13 ILE 38 11.720 -2.087 -1.913
291 H ARG 39 HN ARG 39 11.383 2.607 -5.217
292 HA ARG 39 HA ARG 39 12.937 4.949 -4.328
293 HB2 ARG 39 HB2 ARG 39 10.750 4.968 -6.388
294 HB3 ARG 39 HB3 ARG 39 11.965 6.196 -6.098
295 HG2 ARG 39 HG2 ARG 39 12.230 3.563 -7.479
296 HG3 ARG 39 HG3 ARG 39 12.605 5.181 -8.061
297 HD2 ARG 39 HD2 ARG 39 14.131 3.580 -6.021
298 HD3 ARG 39 HD3 ARG 39 14.658 4.010 -7.646
299 HE ARG 39 HE ARG 39 14.321 6.415 -6.632
300 HH11 ARG 39 HH11 ARG 39 15.769 3.612 -5.132
301 HH12 ARG 39 HH12 ARG 39 16.853 4.537 -4.147
302 HH21 ARG 39 HH21 ARG 39 15.755 7.643 -5.328
303 HH22 ARG 39 HH22 ARG 39 16.854 6.822 -4.264
304 H ARG 40 HN ARG 40 11.327 6.926 -4.159
305 HA ARG 40 HA ARG 40 9.102 6.074 -2.425
306 HB2 ARG 40 HB2 ARG 40 11.193 6.898 -1.200
307 HB3 ARG 40 HB3 ARG 40 10.803 8.487 -1.846
308 HG2 ARG 40 HG2 ARG 40 8.647 8.435 -0.721
309 HG3 ARG 40 HG3 ARG 40 9.004 6.824 -0.095
310 HD2 ARG 40 HD2 ARG 40 9.491 8.328 1.659
311 HD3 ARG 40 HD3 ARG 40 11.043 7.837 0.991
312 HE ARG 40 HE ARG 40 10.187 10.183 -0.289
313 HH11 ARG 40 HH11 ARG 40 11.306 9.109 2.837
314 HH12 ARG 40 HH12 ARG 40 12.047 10.625 3.238
315 HH21 ARG 40 HH21 ARG 40 11.163 12.187 0.233
316 HH22 ARG 40 HH22 ARG 40 11.970 12.374 1.757
317 H ARG 41 HN ARG 41 7.224 7.044 -2.764
318 HA ARG 41 HA ARG 41 7.190 9.494 -4.411
319 HB2 ARG 41 HB2 ARG 41 5.112 8.645 -5.503
320 HB3 ARG 41 HB3 ARG 41 6.560 7.744 -5.912
321 HG2 ARG 41 HG2 ARG 41 5.924 5.916 -4.574
322 HG3 ARG 41 HG3 ARG 41 4.671 6.853 -3.759
323 HD2 ARG 41 HD2 ARG 41 3.918 5.193 -5.541
324 HD3 ARG 41 HD3 ARG 41 3.273 6.829 -5.636
325 HE ARG 41 HE ARG 41 5.036 7.225 -7.372
326 HH11 ARG 41 HH11 ARG 41 3.847 3.982 -6.761
327 HH12 ARG 41 HH12 ARG 41 4.165 3.427 -8.370
328 HH21 ARG 41 HH21 ARG 41 5.456 6.484 -9.492
329 HH22 ARG 41 HH22 ARG 41 5.089 4.841 -9.913
330 H GLU 42 HN GLU 42 5.289 10.790 -4.236
331 HA GLU 42 HA GLU 42 4.130 10.913 -1.618
332 HB2 GLU 42 HB2 GLU 42 3.586 12.391 -4.181
333 HB3 GLU 42 HB3 GLU 42 2.661 12.674 -2.713
334 HG2 GLU 42 HG2 GLU 42 5.593 13.078 -3.136
335 HG3 GLU 42 HG3 GLU 42 4.367 14.317 -2.901
336 H ASN 43 HN ASN 43 1.924 10.722 -1.132
337 HA ASN 43 HA ASN 43 0.257 9.226 -2.986
338 HB2 ASN 43 HB2 ASN 43 1.710 7.972 -0.784
339 HB3 ASN 43 HB3 ASN 43 -0.022 7.684 -0.714
340 HD21 ASN 43 HD21 ASN 43 1.819 8.121 -3.678
341 HD22 ASN 43 HD22 ASN 43 1.595 6.492 -4.243
342 H SER 44 HN SER 44 -1.062 11.126 -2.766
343 HA SER 44 HA SER 44 -2.474 11.456 -0.266
344 HB2 SER 44 HB2 SER 44 -2.914 12.636 -3.022
345 HB3 SER 44 HB3 SER 44 -3.776 13.110 -1.570
346 HG SER 44 HG SER 44 -1.196 13.700 -2.379
347 H TYR 45 HN TYR 45 -2.389 9.095 -2.343
348 HA TYR 45 HA TYR 45 -5.194 8.369 -2.148
349 HB2 TYR 45 HB2 TYR 45 -5.307 7.816 -4.537
350 HB3 TYR 45 HB3 TYR 45 -4.955 9.526 -4.310
351 HD1 TYR 45 HD1 TYR 45 -2.470 10.223 -4.429
352 HD2 TYR 45 HD2 TYR 45 -3.959 6.517 -5.914
353 HE1 TYR 45 HE1 TYR 45 -0.480 10.024 -5.844
354 HE2 TYR 45 HE2 TYR 45 -1.973 6.311 -7.358
355 HH TYR 45 HH TYR 45 -0.279 7.857 -8.409
356 H GLN 46 HN GLN 46 -5.118 6.099 -3.688
357 HA GLN 46 HA GLN 46 -3.509 4.385 -2.003
358 HB2 GLN 46 HB2 GLN 46 -4.863 2.611 -2.726
359 HB3 GLN 46 HB3 GLN 46 -5.953 3.983 -2.636
360 HG2 GLN 46 HG2 GLN 46 -4.696 2.926 -5.163
361 HG3 GLN 46 HG1 GLN 46 -6.332 2.579 -4.615
362 HE21 GLN 46 HE21 GLN 46 -5.383 3.840 -7.059
363 HE22 GLN 46 HE22 GLN 46 -6.140 5.396 -7.125
364 H ARG 47 HN ARG 47 -1.643 3.462 -2.564
365 HA ARG 47 HA ARG 47 -1.119 2.711 -5.294
366 HB2 ARG 47 HB2 ARG 47 -0.354 5.182 -4.916
367 HB3 ARG 47 HB3 ARG 47 0.970 4.450 -4.020
368 HG2 ARG 47 HG2 ARG 47 1.689 4.875 -6.253
369 HG3 ARG 47 HG3 ARG 47 1.537 3.128 -6.037
370 HD2 ARG 47 HD2 ARG 47 -0.709 3.244 -7.089
371 HD3 ARG 47 HD3 ARG 47 -0.445 4.958 -7.387
372 HE ARG 47 HE ARG 47 1.604 3.262 -8.477
373 HH11 ARG 47 HH11 ARG 47 -1.531 4.704 -9.033
374 HH12 ARG 47 HH12 ARG 47 -1.422 4.597 -10.758
375 HH21 ARG 47 HH21 ARG 47 1.755 3.113 -10.760
376 HH22 ARG 47 HH22 ARG 47 0.452 3.698 -11.744
377 H ILE 48 HN ILE 48 -1.478 0.862 -3.767
378 HA ILE 48 HA ILE 48 0.757 0.286 -1.979
379 HB ILE 48 HB ILE 48 -1.717 -1.388 -2.339
380 HG12 ILE 48 HG12 ILE 48 -2.449 0.919 -1.947
381 HG13 ILE 48 HG11 ILE 48 -2.777 -0.082 -0.542
382 HG21 ILE 48 HG21 ILE 48 0.128 -2.352 -1.054
383 HG22 ILE 48 HG22 ILE 48 -1.274 -2.040 -0.031
384 HG23 ILE 48 HG23 ILE 48 0.113 -0.953 0.020
385 HD11 ILE 48 HD11 ILE 48 -1.951 2.089 0.125
386 HD12 ILE 48 HD12 ILE 48 -0.503 1.864 -0.856
387 HD13 ILE 48 HD13 ILE 48 -0.782 0.839 0.552
388 H ARG 49 HN ARG 49 1.681 -1.912 -1.998
389 HA ARG 49 HA ARG 49 2.200 -2.666 -4.756
390 HB2 ARG 49 HB2 ARG 49 4.051 -2.103 -3.109
391 HB3 ARG 49 HB3 ARG 49 3.662 -3.605 -2.287
392 HG2 ARG 49 HG2 ARG 49 5.572 -3.909 -3.730
393 HG3 ARG 49 HG3 ARG 49 4.206 -4.853 -4.328
394 HD2 ARG 49 HD2 ARG 49 5.415 -3.708 -6.138
395 HD3 ARG 49 HD3 ARG 49 3.741 -3.172 -6.008
396 HE ARG 49 HE ARG 49 5.601 -1.527 -4.558
397 HH11 ARG 49 HH11 ARG 49 4.103 -2.118 -7.652
398 HH12 ARG 49 HH12 ARG 49 4.308 -0.492 -8.214
399 HH21 ARG 49 HH21 ARG 49 5.888 0.639 -5.302
400 HH22 ARG 49 HH22 ARG 49 5.326 1.076 -6.883
401 H SER 50 HN SER 50 -0.232 -3.405 -3.485
402 HA SER 50 HA SER 50 -1.690 -5.110 -3.314
403 HB2 SER 50 HB2 SER 50 0.277 -6.734 -4.890
404 HB3 SER 50 HB3 SER 50 -1.476 -6.829 -4.891
405 HG SER 50 HG SER 50 -1.367 -5.520 -6.519
406 H ASP 51 HN ASP 51 -2.135 -6.215 -1.550
407 HA ASP 51 HA ASP 51 -0.120 -7.945 -0.338
408 HB2 ASP 51 HB2 ASP 51 -2.883 -7.149 0.613
409 HB3 ASP 51 HB3 ASP 51 -1.775 -8.186 1.504
410 H HIS 52 HN HIS 52 -1.628 -10.018 0.688
411 HA HIS 52 HA HIS 52 -1.469 -11.736 -1.458
412 HB2 HIS 52 HB2 HIS 52 -2.574 -13.429 -0.013
413 HB3 HIS 52 HB3 HIS 52 -1.203 -12.627 0.718
414 HD1 HIS 52 HD1 HIS 52 -4.971 -12.855 0.957
415 HD2 HIS 52 HD2 HIS 52 -1.732 -11.314 3.073
416 HE1 HIS 52 HE1 HIS 52 -5.869 -12.196 3.208
417 HE2 HIS 52 HE2 HIS 52 -3.943 -11.093 4.389
418 H ASP 53 HN ASP 53 -4.448 -10.195 -0.236
419 HA ASP 53 HA ASP 53 -5.723 -11.221 -2.692
420 HB2 ASP 53 HB2 ASP 53 -6.978 -10.975 0.042
421 HB3 ASP 53 HB3 ASP 53 -7.916 -11.150 -1.435
422 H SER 54 HN SER 54 -4.354 -8.788 -2.430
423 HA SER 54 HA SER 54 -6.300 -6.694 -2.082
424 HB2 SER 54 HB2 SER 54 -3.441 -6.766 -2.911
425 HB3 SER 54 HB3 SER 54 -4.375 -5.287 -3.020
426 HG SER 54 HG SER 54 -4.663 -5.337 -0.818
427 H HIS 55 HN HIS 55 -6.706 -5.108 -3.736
428 HA HIS 55 HA HIS 55 -6.267 -5.494 -6.449
429 HB2 HIS 55 HB2 HIS 55 -8.583 -6.117 -7.202
430 HB3 HIS 55 HB3 HIS 55 -7.659 -7.425 -6.487
431 HD1 HIS 55 HD1 HIS 55 -10.881 -5.732 -6.285
432 HD2 HIS 55 HD2 HIS 55 -8.481 -7.993 -3.749
433 HE1 HIS 55 HE1 HIS 55 -12.405 -6.555 -4.470
434 HE2 HIS 55 HE2 HIS 55 -10.984 -8.128 -3.107
435 H SER 56 HN SER 56 -8.076 -4.248 -7.749
436 HA SER 56 HA SER 56 -8.261 -1.675 -6.454
437 HB2 SER 56 HB2 SER 56 -9.260 -1.039 -8.727
438 HB3 SER 56 HB3 SER 56 -7.584 -1.591 -8.720
439 HG SER 56 HG SER 56 -8.285 -2.942 -10.173
440 H CYS 57 HN CYS 57 -10.146 -0.540 -6.028
441 HA CYS 57 HA CYS 57 -12.720 -1.754 -6.620
442 HB2 CYS 57 HB2 CYS 57 -13.499 -1.437 -4.297
443 HB3 CYS 57 HB3 CYS 57 -12.248 -2.665 -4.422
444 H ALA 58 HN ALA 58 -14.503 -0.163 -5.866
445 HA ALA 58 HA ALA 58 -15.487 1.864 -6.132
446 HB1 ALA 58 HB1 ALA 58 -14.394 3.803 -5.129
447 HB2 ALA 58 HB2 ALA 58 -12.865 2.927 -5.066
448 HB3 ALA 58 HB3 ALA 58 -14.230 2.389 -4.088
449 H ASN 59 HN ASN 59 -14.263 0.732 -8.382
450 HA ASN 59 HA ASN 59 -13.598 1.161 -10.510
451 HB2 ASN 59 HB2 ASN 59 -14.436 3.977 -9.794
452 HB3 ASN 59 HB3 ASN 59 -13.928 3.494 -11.408
453 HD21 ASN 59 HD21 ASN 59 -16.462 4.570 -10.622
454 HD22 ASN 59 HD22 ASN 59 -17.654 3.380 -11.018
455 H ASN 60 HN ASN 60 -11.677 0.897 -8.668
456 HA ASN 60 HA ASN 60 -9.494 1.182 -8.203
457 HB2 ASN 60 HB2 ASN 60 -9.369 0.850 -10.680
458 HB3 ASN 60 HB3 ASN 60 -9.333 2.598 -10.863
459 HD21 ASN 60 HD21 ASN 60 -7.733 0.984 -8.203
460 HD22 ASN 60 HD22 ASN 60 -6.122 1.295 -8.742
461 H ARG 61 HN ARG 61 -11.409 3.233 -7.405
462 HA ARG 61 HA ARG 61 -9.538 5.469 -7.018
463 HB2 ARG 61 HB2 ARG 61 -12.498 5.259 -6.415
464 HB3 ARG 61 HB3 ARG 61 -11.501 6.657 -6.037
465 HG2 ARG 61 HG2 ARG 61 -11.080 7.035 -8.390
466 HG3 ARG 61 HG3 ARG 61 -11.983 5.578 -8.806
467 HD2 ARG 61 HD2 ARG 61 -13.098 8.026 -7.443
468 HD3 ARG 61 HD3 ARG 61 -13.338 7.586 -9.134
469 HE ARG 61 HE ARG 61 -14.211 5.414 -7.709
470 HH11 ARG 61 HH11 ARG 61 -15.029 8.820 -7.805
471 HH12 ARG 61 HH12 ARG 61 -16.679 8.568 -7.341
472 HH21 ARG 61 HH21 ARG 61 -16.388 5.083 -7.080
473 HH22 ARG 61 HH22 ARG 61 -17.451 6.443 -6.926
474 H GLY 62 HN GLY 62 -9.564 2.722 -5.886
475 HA2 GLY 62 HA2 GLY 62 -8.687 3.387 -3.267
476 HA3 GLY 62 HA1 GLY 62 -10.237 2.560 -3.231
477 H TRP 63 HN TRP 63 -7.093 1.930 -2.824
478 HA TRP 63 HA TRP 63 -7.174 -0.646 -4.197
479 HB2 TRP 63 HB2 TRP 63 -5.032 0.632 -4.104
480 HB3 TRP 63 HB3 TRP 63 -5.005 0.404 -2.357
481 HD1 TRP 63 HD1 TRP 63 -4.029 -1.800 -1.455
482 HE1 TRP 63 HE1 TRP 63 -3.109 -3.940 -2.528
483 HE3 TRP 63 HE3 TRP 63 -5.430 -0.919 -6.277
484 HZ2 TRP 63 HZ2 TRP 63 -2.992 -5.100 -5.119
485 HZ3 TRP 63 HZ3 TRP 63 -4.882 -2.578 -7.994
486 HH2 TRP 63 HH2 TRP 63 -3.689 -4.633 -7.430
487 H CYS 64 HN CYS 64 -7.713 -2.516 -3.298
488 HA CYS 64 HA CYS 64 -8.786 -2.626 -0.659
489 HB2 CYS 64 HB2 CYS 64 -8.167 -4.789 -2.660
490 HB3 CYS 64 HB3 CYS 64 -8.993 -5.078 -1.139
491 H ARG 65 HN ARG 65 -7.742 -2.929 1.173
492 HA ARG 65 HA ARG 65 -5.227 -4.463 1.163
493 HB2 ARG 65 HB2 ARG 65 -5.771 -1.844 2.554
494 HB3 ARG 65 HB3 ARG 65 -4.457 -2.912 3.005
495 HG2 ARG 65 HG2 ARG 65 -3.928 -2.657 0.404
496 HG3 ARG 65 HG3 ARG 65 -4.718 -1.103 0.710
497 HD2 ARG 65 HD2 ARG 65 -2.405 -0.774 1.149
498 HD3 ARG 65 HD3 ARG 65 -3.210 -0.866 2.714
499 HE ARG 65 HE ARG 65 -1.904 -3.239 1.551
500 HH11 ARG 65 HH11 ARG 65 -2.283 -0.978 4.198
501 HH12 ARG 65 HH12 ARG 65 -1.154 -1.808 5.224
502 HH21 ARG 65 HH21 ARG 65 -0.460 -4.339 2.895
503 HH22 ARG 65 HH22 ARG 65 -0.117 -3.722 4.485
504 HA PRO 66 HA PRO 66 -6.919 -6.152 5.000
505 HB2 PRO 66 HB2 PRO 66 -4.365 -6.378 6.288
506 HB3 PRO 66 HB3 PRO 66 -5.309 -7.648 5.519
507 HG2 PRO 66 HG2 PRO 66 -2.895 -6.691 4.584
508 HG3 PRO 66 HG3 PRO 66 -4.096 -7.547 3.603
509 HD2 PRO 66 HD2 PRO 66 -3.527 -4.624 3.789
510 HD3 PRO 66 HD3 PRO 66 -4.016 -5.596 2.385
511 H THR 67 HN THR 67 -4.600 -3.530 5.061
512 HA THR 67 HA THR 67 -6.073 -2.241 7.231
513 HB THR 67 HB THR 67 -3.058 -2.234 7.274
514 HG1 THR 67 HG1 THR 67 -3.525 -4.370 7.638
515 HG21 THR 67 HG21 THR 67 -3.391 -1.570 9.610
516 HG22 THR 67 HG22 THR 67 -5.137 -1.682 9.396
517 HG23 THR 67 HG23 THR 67 -4.217 -0.465 8.513
518 H CYS 68 HN CYS 68 -5.901 0.052 7.148
519 HA CYS 68 HA CYS 68 -5.088 0.993 4.495
520 HB2 CYS 68 HB2 CYS 68 -6.961 2.194 6.532
521 HB3 CYS 68 HB3 CYS 68 -6.601 2.901 4.963
522 H PHE 69 HN PHE 69 -3.679 2.590 4.155
523 HA PHE 69 HA PHE 69 -1.980 3.441 6.346
524 HB2 PHE 69 HB2 PHE 69 -1.916 4.015 3.378
525 HB3 PHE 69 HB3 PHE 69 -0.759 4.679 4.518
526 HD1 PHE 69 HD1 PHE 69 -1.689 1.802 2.541
527 HD2 PHE 69 HD2 PHE 69 0.750 3.156 5.758
528 HE1 PHE 69 HE1 PHE 69 -0.261 -0.177 2.292
529 HE2 PHE 69 HE2 PHE 69 2.172 1.173 5.512
530 HZ PHE 69 HZ PHE 69 1.676 -0.497 3.777
531 H SER 70 HN SER 70 -1.316 5.810 6.369
532 HA SER 70 HA SER 70 -3.704 7.360 6.824
533 HB2 SER 70 HB2 SER 70 -0.799 8.142 7.159
534 HB3 SER 70 HB3 SER 70 -2.195 8.995 7.824
535 HG SER 70 HG SER 70 -2.157 6.336 8.477
536 H HIS 71 HN HIS 71 -4.557 7.706 4.813
537 HA HIS 71 HA HIS 71 -4.234 9.780 3.237
538 HB2 HIS 71 HB2 HIS 71 -2.774 9.299 1.361
539 HB3 HIS 71 HB3 HIS 71 -1.834 9.220 2.837
540 HD1 HIS 71 HD1 HIS 71 -0.035 7.772 1.654
541 HD2 HIS 71 HD2 HIS 71 -3.807 6.051 1.764
542 HE1 HIS 71 HE1 HIS 71 0.291 5.382 0.934
543 HE2 HIS 71 HE2 HIS 71 -2.047 4.423 0.821
544 H GLU 72 HN GLU 72 -5.037 6.688 3.889
545 HA GLU 72 HA GLU 72 -7.211 6.749 1.954
546 HB2 GLU 72 HB2 GLU 72 -6.956 4.294 1.600
547 HB3 GLU 72 HB3 GLU 72 -5.604 5.230 0.954
548 HG2 GLU 72 HG2 GLU 72 -4.469 4.745 3.207
549 HG3 GLU 72 HG3 GLU 72 -5.699 3.507 3.398
550 H TYR 73 HN TYR 73 -9.017 5.397 2.702
551 HA TYR 73 HA TYR 73 -8.931 4.847 5.590
552 HB2 TYR 73 HB2 TYR 73 -11.254 5.771 5.751
553 HB3 TYR 73 HB3 TYR 73 -10.028 6.976 5.395
554 HD1 TYR 73 HD1 TYR 73 -10.234 8.368 3.548
555 HD2 TYR 73 HD2 TYR 73 -12.609 4.850 3.781
556 HE1 TYR 73 HE1 TYR 73 -11.493 9.093 1.570
557 HE2 TYR 73 HE2 TYR 73 -13.879 5.550 1.808
558 HH TYR 73 HH TYR 73 -14.413 7.528 0.583
559 H THR 74 HN THR 74 -11.081 3.731 6.204
560 HA THR 74 HA THR 74 -11.257 1.369 4.542
561 HB THR 74 HB THR 74 -12.509 1.991 7.229
562 HG1 THR 74 HG1 THR 74 -10.085 1.714 6.932
563 HG21 THR 74 HG21 THR 74 -13.768 0.293 5.968
564 HG22 THR 74 HG22 THR 74 -12.961 -0.402 7.374
565 HG23 THR 74 HG23 THR 74 -12.288 -0.641 5.767
566 H ASP 75 HN ASP 75 -12.458 1.957 2.758
567 HA ASP 75 HA ASP 75 -15.102 3.081 3.099
568 HB2 ASP 75 HB2 ASP 75 -13.794 3.554 1.050
569 HB3 ASP 75 HB3 ASP 75 -13.823 1.849 0.646
570 H TRP 76 HN TRP 76 -16.668 1.908 3.876
571 HA TRP 76 HA TRP 76 -16.422 -0.942 4.080
572 HB2 TRP 76 HB2 TRP 76 -18.472 1.032 5.057
573 HB3 TRP 76 HB3 TRP 76 -18.644 -0.706 5.291
574 HD1 TRP 76 HD1 TRP 76 -16.767 2.303 6.620
575 HE1 TRP 76 HE1 TRP 76 -15.354 1.597 8.654
576 HE3 TRP 76 HE3 TRP 76 -17.305 -2.754 6.235
577 HZ2 TRP 76 HZ2 TRP 76 -14.564 -0.809 9.915
578 HZ3 TRP 76 HZ3 TRP 76 -16.180 -4.187 7.877
579 HH2 TRP 76 HH2 TRP 76 -14.837 -3.239 9.681
580 H PHE 77 HN PHE 77 -17.982 1.206 1.904
581 HA PHE 77 HA PHE 77 -20.044 -0.533 1.003
582 HB2 PHE 77 HB2 PHE 77 -19.997 1.913 0.559
583 HB3 PHE 77 HB3 PHE 77 -18.632 1.661 -0.525
584 HD1 PHE 77 HD1 PHE 77 -18.983 1.117 -2.767
585 HD2 PHE 77 HD2 PHE 77 -22.168 0.730 0.023
586 HE1 PHE 77 HE1 PHE 77 -20.544 0.686 -4.619
587 HE2 PHE 77 HE2 PHE 77 -23.738 0.302 -1.824
588 HZ PHE 77 HZ PHE 77 -22.927 0.278 -4.149
589 H ASN 78 HN ASN 78 -16.871 0.297 -0.366
590 HA ASN 78 HA ASN 78 -17.013 -1.902 -2.220
591 HB2 ASN 78 HB2 ASN 78 -14.838 0.084 -1.584
592 HB3 ASN 78 HB3 ASN 78 -14.667 -1.188 -2.788
593 HD21 ASN 78 HD21 ASN 78 -16.247 1.787 -1.955
594 HD22 ASN 78 HD22 ASN 78 -16.862 2.132 -3.544
595 H ASN 79 HN ASN 79 -16.088 -1.542 1.010
596 HA ASN 79 HA ASN 79 -14.227 -3.610 1.312
597 HB2 ASN 79 HB2 ASN 79 -15.078 -2.028 3.096
598 HB3 ASN 79 HB3 ASN 79 -16.543 -2.997 3.166
599 HD21 ASN 79 HD21 ASN 79 -14.500 -2.390 5.161
600 HD22 ASN 79 HD22 ASN 79 -13.948 -3.912 5.748
601 H ASP 80 HN ASP 80 -17.707 -3.582 0.872
602 HA ASP 80 HA ASP 80 -18.157 -6.349 1.205
603 HB2 ASP 80 HB2 ASP 80 -19.700 -4.207 -0.249
604 HB3 ASP 80 HB3 ASP 80 -20.241 -5.880 -0.192
605 H VAL 81 HN VAL 81 -17.409 -4.370 -1.673
606 HA VAL 81 HA VAL 81 -17.680 -6.546 -3.487
607 HB VAL 81 HB VAL 81 -16.814 -5.194 -5.184
608 HG11 VAL 81 HG11 VAL 81 -17.913 -3.009 -4.894
609 HG12 VAL 81 HG12 VAL 81 -18.114 -3.369 -3.178
610 HG13 VAL 81 HG13 VAL 81 -18.922 -4.364 -4.389
611 HG21 VAL 81 HG21 VAL 81 -15.470 -3.188 -4.878
612 HG22 VAL 81 HG22 VAL 81 -14.683 -4.590 -4.152
613 HG23 VAL 81 HG23 VAL 81 -15.511 -3.416 -3.129
614 H CYS 82 HN CYS 82 -15.155 -5.552 -1.370
615 HA CYS 82 HA CYS 82 -13.122 -7.133 -2.684
616 HB2 CYS 82 HB2 CYS 82 -13.121 -5.718 -0.012
617 HB3 CYS 82 HB3 CYS 82 -11.722 -6.499 -0.742
618 H GLY 83 HN GLY 83 -15.313 -7.441 0.038
619 HA2 GLY 83 HA2 GLY 83 -16.132 -9.524 0.785
620 HA3 GLY 83 HA1 GLY 83 -14.720 -10.306 0.088
621 H SER 84 HN SER 84 -12.652 -9.989 1.184
622 HA SER 84 HA SER 84 -13.080 -9.912 4.084
623 HB2 SER 84 HB2 SER 84 -10.723 -11.002 2.528
624 HB3 SER 84 HB3 SER 84 -11.004 -11.176 4.261
625 HG SER 84 HG SER 84 -12.885 -12.078 2.348
626 H TYR 85 HN TYR 85 -10.983 -8.612 1.541
627 HA TYR 85 HA TYR 85 -9.527 -6.905 3.299
628 HB2 TYR 85 HB2 TYR 85 -9.735 -7.247 0.349
629 HB3 TYR 85 HB3 TYR 85 -9.111 -5.711 0.955
630 HD1 TYR 85 HD1 TYR 85 -7.005 -6.409 -0.318
631 HD2 TYR 85 HD2 TYR 85 -8.455 -8.505 3.101
632 HE1 TYR 85 HE1 TYR 85 -4.815 -7.388 0.012
633 HE2 TYR 85 HE2 TYR 85 -6.236 -9.488 3.434
634 HH TYR 85 HH TYR 85 -3.494 -8.364 2.013
635 H ARG 86 HN ARG 86 -9.620 -4.683 3.481
636 HA ARG 86 HA ARG 86 -12.286 -3.560 3.084
637 HB2 ARG 86 HB2 ARG 86 -11.499 -1.754 4.574
638 HB3 ARG 86 HB3 ARG 86 -11.396 -3.333 5.331
639 HG2 ARG 86 HG2 ARG 86 -8.972 -3.371 4.801
640 HG3 ARG 86 HG3 ARG 86 -9.126 -1.730 4.172
641 HD2 ARG 86 HD2 ARG 86 -8.308 -1.652 6.440
642 HD3 ARG 86 HD3 ARG 86 -9.942 -0.994 6.379
643 HE ARG 86 HE ARG 86 -9.737 -3.804 7.076
644 HH11 ARG 86 HH11 ARG 86 -10.062 -0.499 8.188
645 HH12 ARG 86 HH12 ARG 86 -10.565 -0.951 9.787
646 HH21 ARG 86 HH21 ARG 86 -10.427 -4.404 9.181
647 HH22 ARG 86 HH22 ARG 86 -10.773 -3.170 10.352
648 H CYS 87 HN CYS 87 -12.612 -1.660 1.910
649 HA CYS 87 HA CYS 87 -10.701 -1.303 -0.218
650 HB2 CYS 87 HB2 CYS 87 -13.116 -1.320 -0.684
651 HB3 CYS 87 HB3 CYS 87 -13.320 0.109 0.314
652 H CYS 88 HN CYS 88 -8.940 -0.153 0.266
653 HA CYS 88 HA CYS 88 -9.126 2.061 2.122
654 HB2 CYS 88 HB2 CYS 88 -6.771 0.815 0.698
655 HB3 CYS 88 HB3 CYS 88 -6.650 2.134 1.862
656 H ARG 89 HN ARG 89 -10.185 3.653 1.170
657 HA ARG 89 HA ARG 89 -9.382 4.575 -1.487
658 HB2 ARG 89 HB2 ARG 89 -11.796 4.975 0.242
659 HB3 ARG 89 HB3 ARG 89 -11.469 6.076 -1.093
660 HG2 ARG 89 HG2 ARG 89 -11.467 4.166 -2.634
661 HG3 ARG 89 HG3 ARG 89 -11.837 3.094 -1.283
662 HD2 ARG 89 HD2 ARG 89 -13.846 3.630 -2.508
663 HD3 ARG 89 HD3 ARG 89 -13.914 4.328 -0.893
664 HE ARG 89 HE ARG 89 -12.901 6.156 -2.847
665 HH11 ARG 89 HH11 ARG 89 -15.818 4.866 -1.393
666 HH12 ARG 89 HH12 ARG 89 -16.808 6.195 -1.905
667 HH21 ARG 89 HH21 ARG 89 -14.197 7.909 -3.505
668 HH22 ARG 89 HH22 ARG 89 -15.880 7.939 -3.086
669 HA PRO 90 HA PRO 90 -6.832 7.934 -0.289
670 HB2 PRO 90 HB2 PRO 90 -8.650 9.467 -2.098
671 HB3 PRO 90 HB3 PRO 90 -6.885 9.444 -2.039
672 HG2 PRO 90 HG2 PRO 90 -8.220 8.073 -3.901
673 HG3 PRO 90 HG3 PRO 90 -6.739 7.434 -3.167
674 HD2 PRO 90 HD2 PRO 90 -9.544 6.591 -2.783
675 HD3 PRO 90 HD3 PRO 90 -8.046 5.665 -2.586
676 H GLY 91 HN GLY 91 -7.004 8.860 1.631
677 HA2 GLY 91 HA2 GLY 91 -8.037 11.090 2.430
678 HA3 GLY 91 HA1 GLY 91 -9.522 10.167 2.358
679 H ARG 92 HN ARG 92 -9.925 10.389 4.491
680 HA ARG 92 HA ARG 92 -9.031 8.273 6.117
681 HB2 ARG 92 HB2 ARG 92 -7.118 9.930 6.322
682 HB3 ARG 92 HB3 ARG 92 -8.249 10.993 7.146
683 HG2 ARG 92 HG2 ARG 92 -8.567 9.365 8.901
684 HG3 ARG 92 HG3 ARG 92 -7.541 8.209 8.050
685 HD2 ARG 92 HD2 ARG 92 -6.317 9.286 9.855
686 HD3 ARG 92 HD3 ARG 92 -5.637 9.728 8.289
687 HE ARG 92 HE ARG 92 -7.527 11.663 9.050
688 HH11 ARG 92 HH11 ARG 92 -4.363 10.503 9.981
689 HH12 ARG 92 HH12 ARG 92 -3.825 12.046 10.562
690 HH21 ARG 92 HH21 ARG 92 -6.835 13.696 9.833
691 HH22 ARG 92 HH22 ARG 92 -5.234 13.864 10.485
692 H AAR 93 HN AAR 93 -11.414 9.283 5.058
693 HA AAR 93 HA AAR 93 -12.811 10.587 7.223
694 HB2 AAR 93 HB2 AAR 93 -14.656 10.799 5.649
695 HB3 AAR 93 HB3 AAR 93 -13.166 11.394 4.948
696 HG2 AAR 93 HG2 AAR 93 -12.968 9.137 3.821
697 HG3 AAR 93 HG3 AAR 93 -14.637 8.861 4.316
698 HD2 AAR 93 HD2 AAR 93 -13.686 11.188 2.647
699 HD3 AAR 93 HD3 AAR 93 -14.429 9.726 2.007
700 HE AAR 93 HE AAR 93 -16.036 11.075 3.975
701 HH11 AAR 93 HH21 AAR 93 -17.990 12.033 3.267
702 HH12 AAR 93 HH22 AAR 93 -18.267 12.260 1.569
703 HH21 AAR 93 HH11 AAR 93 -15.196 10.880 0.587
704 HH22 AAR 93 HH12 AAR 93 -16.675 11.601 0.045
705 HNT1 AAR 93 HNT1 AAR 93 -13.626 9.425 8.813
706 HNT2 AAR 93 HNT2 AAR 93 -14.267 7.812 8.679
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