Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10464 | 1ps2 RC | 4933 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 HT2 GLU 1 5.656 -17.762 -17.762
2 2H GLU 1 HT1 GLU 1 6.979 -18.827 -18.827
3 3H GLU 1 HT3 GLU 1 7.189 -17.248 -17.248
4 HA GLU 1 HA GLU 1 7.880 -16.774 -16.774
5 1HB GLU 1 HB2 GLU 1 7.348 -18.255 -18.255
6 2HB GLU 1 HB1 GLU 1 8.099 -19.122 -19.122
7 1HG GLU 1 HG2 GLU 1 6.143 -20.226 -20.226
8 2HG GLU 1 HG1 GLU 1 5.112 -18.945 -18.945
9 H ALA 2 HN ALA 2 6.993 -15.586 -15.586
10 HA ALA 2 HA ALA 2 4.138 -15.465 -15.465
11 1HB ALA 2 HB2 ALA 2 5.548 -13.363 -13.363
12 2HB ALA 2 HB1 ALA 2 4.142 -12.944 -12.944
13 3HB ALA 2 HB3 ALA 2 3.997 -14.144 -14.144
14 H GLN 3 HN GLN 3 3.607 -13.679 -13.679
15 HA GLN 3 HA GLN 3 5.953 -13.283 -13.283
16 1HB GLN 3 HB2 GLN 3 3.000 -13.590 -13.590
17 2HB GLN 3 HB1 GLN 3 4.136 -12.981 -12.981
18 1HG GLN 3 HG2 GLN 3 4.349 -15.196 -15.196
19 2HG GLN 3 HG1 GLN 3 5.476 -15.188 -15.188
20 1HE2 GLN 3 HE22 GLN 3 1.696 -16.696 -16.696
21 2HE2 GLN 3 HE21 GLN 3 1.904 -15.475 -15.475
22 H THR 4 HN THR 4 5.646 -11.230 -11.230
23 HA THR 4 HA THR 4 4.396 -9.063 -9.063
24 HB THR 4 HB THR 4 6.395 -7.651 -7.651
25 HG1 THR 4 HG1 THR 4 7.071 -10.174 -10.174
26 1HG2 THR 4 HG22 THR 4 6.766 -9.961 -9.961
27 2HG2 THR 4 HG21 THR 4 7.851 -8.573 -8.573
28 3HG2 THR 4 HG23 THR 4 6.171 -8.345 -8.345
29 H GLU 5 HN GLU 5 3.448 -7.403 -7.403
30 HA GLU 5 HA GLU 5 2.955 -8.092 -8.092
31 1HB GLU 5 HB2 GLU 5 1.894 -6.043 -6.043
32 2HB GLU 5 HB1 GLU 5 1.603 -5.860 -5.860
33 1HG GLU 5 HG2 GLU 5 0.915 -8.436 -8.436
34 2HG GLU 5 HG1 GLU 5 0.568 -7.926 -7.926
35 H THR 6 HN THR 6 3.833 -7.010 -7.010
36 HA THR 6 HA THR 6 5.296 -4.508 -4.508
37 HB THR 6 HB THR 6 6.706 -6.773 -6.773
38 HG1 THR 6 HG1 THR 6 7.831 -6.898 -6.898
39 1HG2 THR 6 HG22 THR 6 7.448 -4.112 -4.112
40 2HG2 THR 6 HG21 THR 6 8.670 -5.352 -5.352
41 3HG2 THR 6 HG23 THR 6 7.740 -4.703 -4.703
42 H CYS 7 HN CYS 7 4.777 -3.158 -3.158
43 HA CYS 7 HA CYS 7 3.935 -4.411 -4.411
44 1HB CYS 7 HB2 CYS 7 3.171 -1.726 -1.726
45 2HB CYS 7 HB1 CYS 7 2.634 -2.338 -2.338
46 H THR 8 HN THR 8 6.314 -2.447 -2.447
47 HA THR 8 HA THR 8 7.016 -0.808 -0.808
48 HB THR 8 HB THR 8 7.722 -0.125 -0.125
49 HG1 THR 8 HG1 THR 8 10.089 -1.085 -1.085
50 1HG2 THR 8 HG22 THR 8 8.398 -2.941 -2.941
51 2HG2 THR 8 HG21 THR 8 9.753 -1.918 -1.918
52 3HG2 THR 8 HG23 THR 8 8.186 -1.728 -1.728
53 H VAL 9 HN VAL 9 7.309 -2.077 -2.077
54 HA VAL 9 HA VAL 9 9.527 -4.049 -4.049
55 HB VAL 9 HB VAL 9 7.204 -4.022 -4.022
56 1HG1 VAL 9 HG12 VAL 9 9.661 -5.684 -5.684
57 2HG1 VAL 9 HG11 VAL 9 8.183 -6.504 -6.504
58 3HG1 VAL 9 HG13 VAL 9 8.845 -5.204 -5.204
59 1HG2 VAL 9 HG23 VAL 9 7.642 -5.367 -5.367
60 2HG2 VAL 9 HG22 VAL 9 6.159 -4.699 -4.699
61 3HG2 VAL 9 HG21 VAL 9 6.776 -6.246 -6.246
62 H ALA 10 HN ALA 10 10.657 -4.264 -4.264
63 HA ALA 10 HA ALA 10 11.631 -1.715 -1.715
64 1HB ALA 10 HB2 ALA 10 12.120 -4.506 -4.506
65 2HB ALA 10 HB1 ALA 10 12.246 -3.455 -3.455
66 3HB ALA 10 HB3 ALA 10 13.242 -3.147 -3.147
67 HA PRO 11 HA PRO 11 8.175 -0.142 -0.142
68 1HB PRO 11 HB2 PRO 11 10.264 0.987 0.987
69 2HB PRO 11 HB1 PRO 11 9.006 1.811 1.811
70 1HG PRO 11 HG2 PRO 11 11.761 1.509 1.509
71 2HG PRO 11 HG1 PRO 11 10.496 2.310 2.310
72 1HD PRO 11 HD2 PRO 11 11.812 -0.035 -0.035
73 2HD PRO 11 HD1 PRO 11 10.280 0.539 0.539
74 H ARG 12 HN ARG 12 11.089 -1.384 -1.384
75 HA ARG 12 HA ARG 12 9.557 -2.108 -2.108
76 1HB ARG 12 HB2 ARG 12 12.385 -2.512 -2.512
77 2HB ARG 12 HB1 ARG 12 11.780 -3.434 -3.434
78 1HG ARG 12 HG2 ARG 12 11.680 -1.599 -1.599
79 2HG ARG 12 HG1 ARG 12 11.159 -0.536 -0.536
80 1HD ARG 12 HD2 ARG 12 13.703 -1.130 -1.130
81 2HD ARG 12 HD1 ARG 12 13.888 -1.153 -1.153
82 HE ARG 12 HE ARG 12 12.475 1.155 1.155
83 1HH1 ARG 12 HH11 ARG 12 15.442 -0.238 -0.238
84 2HH1 ARG 12 HH12 ARG 12 16.181 1.294 1.294
85 1HH2 ARG 12 HH21 ARG 12 13.463 3.150 3.150
86 2HH2 ARG 12 HH22 ARG 12 15.064 3.203 3.203
87 H GLU 13 HN GLU 13 10.856 -3.847 -3.847
88 HA GLU 13 HA GLU 13 9.849 -6.395 -6.395
89 1HB GLU 13 HB2 GLU 13 11.334 -5.475 -5.475
90 2HB GLU 13 HB1 GLU 13 10.526 -7.042 -7.042
91 1HG GLU 13 HG2 GLU 13 11.752 -7.703 -7.703
92 2HG GLU 13 HG1 GLU 13 12.561 -6.135 -6.135
93 H ARG 14 HN ARG 14 7.830 -4.343 -4.343
94 HA ARG 14 HA ARG 14 6.336 -5.250 -5.250
95 1HB ARG 14 HB2 ARG 14 6.287 -2.776 -2.776
96 2HB ARG 14 HB1 ARG 14 4.814 -3.260 -3.260
97 1HG ARG 14 HG2 ARG 14 6.473 -3.534 -3.534
98 2HG ARG 14 HG1 ARG 14 7.444 -2.383 -2.383
99 1HD ARG 14 HD2 ARG 14 5.241 -1.019 -1.019
100 2HD ARG 14 HD1 ARG 14 4.675 -2.023 -2.023
101 HE ARG 14 HE ARG 14 7.034 -1.160 -1.160
102 1HH1 ARG 14 HH11 ARG 14 4.454 0.509 0.509
103 2HH1 ARG 14 HH12 ARG 14 4.751 2.021 2.021
104 1HH2 ARG 14 HH21 ARG 14 7.407 0.831 0.831
105 2HH2 ARG 14 HH22 ARG 14 6.418 2.201 2.201
106 H GLN 15 HN GLN 15 4.238 -6.154 -6.154
107 HA GLN 15 HA GLN 15 3.705 -7.210 -7.210
108 1HB GLN 15 HB2 GLN 15 2.694 -7.888 -7.888
109 2HB GLN 15 HB1 GLN 15 1.934 -8.537 -8.537
110 1HG GLN 15 HG2 GLN 15 3.524 -10.184 -10.184
111 2HG GLN 15 HG1 GLN 15 4.334 -9.245 -9.245
112 1HE2 GLN 15 HE22 GLN 15 6.970 -8.313 -8.313
113 2HE2 GLN 15 HE21 GLN 15 6.382 -8.478 -8.478
114 H ASN 16 HN ASN 16 2.262 -6.148 -6.148
115 HA ASN 16 HA ASN 16 0.737 -3.932 -3.932
116 1HB ASN 16 HB2 ASN 16 1.478 -4.501 -4.501
117 2HB ASN 16 HB1 ASN 16 0.102 -5.604 -5.604
118 1HD2 ASN 16 HD22 ASN 16 -0.940 -1.682 -1.682
119 2HD2 ASN 16 HD21 ASN 16 0.311 -2.376 -2.376
120 H CYS 17 HN CYS 17 -1.081 -3.965 -3.965
121 HA CYS 17 HA CYS 17 -2.624 -6.465 -6.465
122 1HB CYS 17 HB2 CYS 17 -1.909 -5.273 -5.273
123 2HB CYS 17 HB1 CYS 17 -2.885 -3.890 -3.890
124 H GLY 18 HN GLY 18 -2.730 -3.354 -3.354
125 1HA GLY 18 HA2 GLY 18 -5.019 -3.927 -3.927
126 2HA GLY 18 HA1 GLY 18 -5.530 -2.950 -2.950
127 H PHE 19 HN PHE 19 -5.928 -1.714 -1.714
128 HA PHE 19 HA PHE 19 -3.687 -0.316 -0.316
129 1HB PHE 19 HB2 PHE 19 -5.486 1.291 1.291
130 2HB PHE 19 HB1 PHE 19 -5.622 -0.389 -0.389
131 HD1 PHE 19 HD1 PHE 19 -7.262 -1.911 -1.911
132 HD2 PHE 19 HD2 PHE 19 -7.199 2.338 2.338
133 HE1 PHE 19 HE1 PHE 19 -9.557 -2.018 -2.018
134 HE2 PHE 19 HE2 PHE 19 -9.499 2.227 2.227
135 HZ PHE 19 HZ PHE 19 -10.674 0.051 0.051
136 HA PRO 20 HA PRO 20 -3.138 2.951 2.951
137 1HB PRO 20 HB2 PRO 20 -2.557 5.081 5.081
138 2HB PRO 20 HB1 PRO 20 -1.413 3.845 3.845
139 1HG PRO 20 HG2 PRO 20 -2.455 4.270 4.270
140 2HG PRO 20 HG1 PRO 20 -1.284 3.058 3.058
141 1HD PRO 20 HD2 PRO 20 -4.136 2.736 2.736
142 2HD PRO 20 HD1 PRO 20 -2.883 1.495 1.495
143 H GLY 21 HN GLY 21 -5.386 3.721 3.721
144 1HA GLY 21 HA2 GLY 21 -6.477 6.102 6.102
145 2HA GLY 21 HA1 GLY 21 -7.330 4.981 4.981
146 H VAL 22 HN VAL 22 -6.509 2.984 2.984
147 HA VAL 22 HA VAL 22 -9.108 2.821 2.821
148 HB VAL 22 HB VAL 22 -7.997 1.436 1.436
149 1HG1 VAL 22 HG13 VAL 22 -8.718 0.539 0.539
150 2HG1 VAL 22 HG12 VAL 22 -7.059 0.764 0.764
151 3HG1 VAL 22 HG11 VAL 22 -7.405 -0.365 -0.365
152 1HG2 VAL 22 HG21 VAL 22 -5.543 2.410 2.410
153 2HG2 VAL 22 HG23 VAL 22 -5.869 2.472 2.472
154 3HG2 VAL 22 HG22 VAL 22 -5.531 0.926 0.926
155 H THR 23 HN THR 23 -9.224 2.901 2.901
156 HA THR 23 HA THR 23 -8.018 5.442 5.442
157 HB THR 23 HB THR 23 -10.306 5.950 5.950
158 HG1 THR 23 HG1 THR 23 -11.883 4.663 4.663
159 1HG2 THR 23 HG23 THR 23 -9.673 6.068 6.068
160 2HG2 THR 23 HG22 THR 23 -11.209 6.695 6.695
161 3HG2 THR 23 HG21 THR 23 -9.691 7.375 7.375
162 HA PRO 24 HA PRO 24 -6.926 3.712 3.712
163 1HB PRO 24 HB2 PRO 24 -8.904 5.362 5.362
164 2HB PRO 24 HB1 PRO 24 -7.138 5.388 5.388
165 1HG PRO 24 HG2 PRO 24 -8.871 7.145 7.145
166 2HG PRO 24 HG1 PRO 24 -7.113 7.230 7.230
167 1HD PRO 24 HD2 PRO 24 -8.389 6.667 6.667
168 2HD PRO 24 HD1 PRO 24 -6.718 6.200 6.200
169 H SER 25 HN SER 25 -10.432 4.149 4.149
170 HA SER 25 HA SER 25 -11.239 2.181 2.181
171 1HB SER 25 HB2 SER 25 -12.751 3.982 3.982
172 2HB SER 25 HB1 SER 25 -12.731 3.309 3.309
173 HG SER 25 HG SER 25 -14.537 2.589 2.589
174 H GLN 26 HN GLN 26 -10.881 2.166 2.166
175 HA GLN 26 HA GLN 26 -11.735 -0.493 -0.493
176 1HB GLN 26 HB2 GLN 26 -10.011 1.441 1.441
177 2HB GLN 26 HB1 GLN 26 -10.062 -0.243 -0.243
178 1HG GLN 26 HG2 GLN 26 -12.594 -0.062 -0.062
179 2HG GLN 26 HG1 GLN 26 -12.390 1.675 1.675
180 1HE2 GLN 26 HE22 GLN 26 -12.250 2.016 2.016
181 2HE2 GLN 26 HE21 GLN 26 -12.999 2.477 2.477
182 H CYS 27 HN CYS 27 -8.412 0.820 0.820
183 HA CYS 27 HA CYS 27 -7.132 -1.718 -1.718
184 1HB CYS 27 HB2 CYS 27 -6.112 0.676 0.676
185 2HB CYS 27 HB1 CYS 27 -6.101 0.584 0.584
186 H ALA 28 HN ALA 28 -8.851 0.011 0.011
187 HA ALA 28 HA ALA 28 -7.858 -1.805 -1.805
188 1HB ALA 28 HB1 ALA 28 -8.265 0.578 0.578
189 2HB ALA 28 HB3 ALA 28 -9.968 0.369 0.369
190 3HB ALA 28 HB2 ALA 28 -9.281 -0.483 -0.483
191 H ASN 29 HN ASN 29 -10.216 -1.947 -1.947
192 HA ASN 29 HA ASN 29 -12.360 -3.170 -3.170
193 1HB ASN 29 HB2 ASN 29 -12.275 -2.128 -2.128
194 2HB ASN 29 HB1 ASN 29 -11.850 -3.779 -3.779
195 1HD2 ASN 29 HD22 ASN 29 -15.515 -3.259 -3.259
196 2HD2 ASN 29 HD21 ASN 29 -14.202 -2.312 -2.312
197 H LYS 30 HN LYS 30 -9.704 -4.495 -4.495
198 HA LYS 30 HA LYS 30 -10.392 -7.210 -7.210
199 1HB LYS 30 HB2 LYS 30 -8.283 -7.763 -7.763
200 2HB LYS 30 HB1 LYS 30 -9.584 -7.010 -7.010
201 1HG LYS 30 HG2 LYS 30 -7.928 -4.939 -4.939
202 2HG LYS 30 HG1 LYS 30 -6.899 -6.099 -6.099
203 1HD LYS 30 HD2 LYS 30 -8.516 -5.931 -5.931
204 2HD LYS 30 HD1 LYS 30 -9.244 -4.557 -4.557
205 1HE LYS 30 HE2 LYS 30 -7.563 -3.184 -3.184
206 2HE LYS 30 HE1 LYS 30 -6.335 -4.335 -4.335
207 1HZ LYS 30 HZ1 LYS 30 -6.848 -5.583 -5.583
208 2HZ LYS 30 HZ3 LYS 30 -7.770 -4.253 -4.253
209 3HZ LYS 30 HZ2 LYS 30 -6.102 -4.073 -4.073
210 H GLY 31 HN GLY 31 -7.709 -4.884 -4.884
211 1HA GLY 31 HA2 GLY 31 -6.975 -4.890 -4.890
212 2HA GLY 31 HA1 GLY 31 -6.854 -6.639 -6.639
213 H CYS 32 HN CYS 32 -5.922 -4.351 -4.351
214 HA CYS 32 HA CYS 32 -3.206 -5.469 -5.469
215 1HB CYS 32 HB2 CYS 32 -4.866 -4.023 -4.023
216 2HB CYS 32 HB1 CYS 32 -3.119 -3.795 -3.795
217 H CYS 33 HN CYS 33 -1.344 -4.184 -4.184
218 HA CYS 33 HA CYS 33 -1.689 -1.939 -1.939
219 1HB CYS 33 HB2 CYS 33 0.792 -2.772 -2.772
220 2HB CYS 33 HB1 CYS 33 0.741 -1.735 -1.735
221 H PHE 34 HN PHE 34 -2.384 0.054 0.054
222 HA PHE 34 HA PHE 34 -1.871 0.861 0.861
223 1HB PHE 34 HB2 PHE 34 -4.159 1.097 1.097
224 2HB PHE 34 HB1 PHE 34 -3.484 2.280 2.280
225 HD1 PHE 34 HD1 PHE 34 -4.188 1.565 1.565
226 HD2 PHE 34 HD2 PHE 34 -2.922 4.509 4.509
227 HE1 PHE 34 HE1 PHE 34 -4.436 3.335 3.335
228 HE2 PHE 34 HE2 PHE 34 -3.170 6.281 6.281
229 HZ PHE 34 HZ PHE 34 -3.927 5.694 5.694
230 H ASP 35 HN ASP 35 -0.338 2.400 2.400
231 HA ASP 35 HA ASP 35 0.653 4.169 4.169
232 1HB ASP 35 HB2 ASP 35 2.083 2.046 2.046
233 2HB ASP 35 HB1 ASP 35 2.568 2.642 2.642
234 H ASP 36 HN ASP 36 0.264 6.160 6.160
235 HA ASP 36 HA ASP 36 0.932 6.497 6.497
236 1HB ASP 36 HB2 ASP 36 -0.687 8.397 8.397
237 2HB ASP 36 HB1 ASP 36 -1.445 6.845 6.845
238 H THR 37 HN THR 37 3.205 6.771 6.771
239 HA THR 37 HA THR 37 3.510 9.555 9.555
240 HB THR 37 HB THR 37 5.677 8.747 8.747
241 HG1 THR 37 HG1 THR 37 6.295 6.756 6.756
242 1HG2 THR 37 HG21 THR 37 3.062 7.484 7.484
243 2HG2 THR 37 HG23 THR 37 4.538 7.175 7.175
244 3HG2 THR 37 HG22 THR 37 3.921 8.821 8.821
245 H VAL 38 HN VAL 38 4.820 7.058 7.058
246 HA VAL 38 HA VAL 38 6.337 9.207 9.207
247 HB VAL 38 HB VAL 38 6.760 6.207 6.207
248 1HG1 VAL 38 HG13 VAL 38 8.052 8.603 8.603
249 2HG1 VAL 38 HG12 VAL 38 9.064 7.221 7.221
250 3HG1 VAL 38 HG11 VAL 38 7.714 7.021 7.021
251 1HG2 VAL 38 HG21 VAL 38 8.105 8.380 8.380
252 2HG2 VAL 38 HG23 VAL 38 7.342 6.904 6.904
253 3HG2 VAL 38 HG22 VAL 38 8.858 6.813 6.813
254 H ARG 39 HN ARG 39 6.500 8.814 8.814
255 HA ARG 39 HA ARG 39 3.859 7.876 7.876
256 1HB ARG 39 HB2 ARG 39 4.860 10.384 10.384
257 2HB ARG 39 HB1 ARG 39 5.516 9.658 9.658
258 1HG ARG 39 HG2 ARG 39 3.094 8.742 8.742
259 2HG ARG 39 HG1 ARG 39 2.638 10.005 10.005
260 1HD ARG 39 HD2 ARG 39 4.450 10.810 10.810
261 2HD ARG 39 HD1 ARG 39 2.781 10.447 10.447
262 HE ARG 39 HE ARG 39 2.625 12.103 12.103
263 1HH1 ARG 39 HH21 ARG 39 3.988 12.238 12.238
264 2HH1 ARG 39 HH22 ARG 39 3.798 13.953 13.953
265 1HH2 ARG 39 HH11 ARG 39 2.387 14.350 14.350
266 2HH2 ARG 39 HH12 ARG 39 2.896 15.142 15.142
267 H GLY 40 HN GLY 40 4.089 7.294 7.294
268 1HA GLY 40 HA2 GLY 40 5.162 6.057 6.057
269 2HA GLY 40 HA1 GLY 40 6.641 6.102 6.102
270 H VAL 41 HN VAL 41 5.496 5.069 5.069
271 HA VAL 41 HA VAL 41 5.323 2.237 2.237
272 HB VAL 41 HB VAL 41 5.676 1.852 1.852
273 1HG1 VAL 41 HG12 VAL 41 7.514 2.431 2.431
274 2HG1 VAL 41 HG11 VAL 41 7.774 3.823 3.823
275 3HG1 VAL 41 HG13 VAL 41 7.954 2.189 2.189
276 1HG2 VAL 41 HG23 VAL 41 4.578 4.003 4.003
277 2HG2 VAL 41 HG22 VAL 41 6.152 3.738 3.738
278 3HG2 VAL 41 HG21 VAL 41 5.996 4.866 4.866
279 HA PRO 42 HA PRO 42 1.038 1.933 1.933
280 1HB PRO 42 HB2 PRO 42 1.044 -0.640 -0.640
281 2HB PRO 42 HB1 PRO 42 0.955 -0.245 -0.245
282 1HG PRO 42 HG2 PRO 42 3.082 -1.525 -1.525
283 2HG PRO 42 HG1 PRO 42 3.004 -1.095 -1.095
284 1HD PRO 42 HD2 PRO 42 4.384 0.291 0.291
285 2HD PRO 42 HD1 PRO 42 4.666 0.395 0.395
286 H TRP 43 HN TRP 43 -0.291 2.423 2.423
287 HA TRP 43 HA TRP 43 1.056 2.673 2.673
288 1HB TRP 43 HB2 TRP 43 -1.751 3.482 3.482
289 2HB TRP 43 HB1 TRP 43 -0.894 3.978 3.978
290 HD1 TRP 43 HD1 TRP 43 1.922 4.658 4.658
291 HE1 TRP 43 HE1 TRP 43 2.188 6.737 6.737
292 HE3 TRP 43 HE3 TRP 43 -2.936 5.358 5.358
293 HZ2 TRP 43 HZ2 TRP 43 0.558 8.466 8.466
294 HZ3 TRP 43 HZ3 TRP 43 -3.550 7.226 7.226
295 HH2 TRP 43 HH2 TRP 43 -1.812 8.781 8.781
296 H CYS 44 HN CYS 44 -1.752 0.946 0.946
297 HA CYS 44 HA CYS 44 -2.247 -0.384 -0.384
298 1HB CYS 44 HB2 CYS 44 -4.087 0.380 0.380
299 2HB CYS 44 HB1 CYS 44 -3.583 -0.922 -0.922
300 H PHE 45 HN PHE 45 -0.763 -1.992 -1.992
301 HA PHE 45 HA PHE 45 -0.362 -4.049 -4.049
302 1HB PHE 45 HB2 PHE 45 2.009 -4.223 -4.223
303 2HB PHE 45 HB1 PHE 45 1.642 -2.573 -2.573
304 HD1 PHE 45 HD1 PHE 45 0.966 -0.936 -0.936
305 HD2 PHE 45 HD2 PHE 45 3.191 -4.572 -4.572
306 HE1 PHE 45 HE1 PHE 45 1.853 -0.103 -0.103
307 HE2 PHE 45 HE2 PHE 45 4.078 -3.745 -3.745
308 HZ PHE 45 HZ PHE 45 3.410 -1.509 -1.509
309 H TYR 46 HN TYR 46 0.720 -6.086 -6.086
310 HA TYR 46 HA TYR 46 -1.010 -6.760 -6.760
311 1HB TYR 46 HB2 TYR 46 1.109 -8.333 -8.333
312 2HB TYR 46 HB1 TYR 46 0.085 -9.003 -9.003
313 HD1 TYR 46 HD2 TYR 46 -2.454 -8.891 -8.891
314 HD2 TYR 46 HD1 TYR 46 0.323 -8.162 -8.162
315 HE1 TYR 46 HE2 TYR 46 -4.257 -9.284 -9.284
316 HE2 TYR 46 HE1 TYR 46 -1.480 -8.555 -8.555
317 HH TYR 46 HH TYR 46 -4.786 -9.396 -9.396
318 HA PRO 47 HA PRO 47 2.095 -6.328 -6.328
319 1HB PRO 47 HB2 PRO 47 1.143 -8.262 -8.262
320 2HB PRO 47 HB1 PRO 47 0.468 -6.638 -6.638
321 1HG PRO 47 HG2 PRO 47 -0.749 -9.128 -9.128
322 2HG PRO 47 HG1 PRO 47 -1.405 -7.499 -7.499
323 1HD PRO 47 HD2 PRO 47 -0.113 -9.274 -9.274
324 2HD PRO 47 HD1 PRO 47 -1.234 -7.921 -7.921
325 H ASN 48 HN ASN 48 3.855 -7.466 -7.466
326 HA ASN 48 HA ASN 48 4.501 -10.147 -10.147
327 1HB ASN 48 HB2 ASN 48 6.053 -7.619 -7.619
328 2HB ASN 48 HB1 ASN 48 6.968 -9.078 -9.078
329 1HD2 ASN 48 HD22 ASN 48 6.985 -9.682 -9.682
330 2HD2 ASN 48 HD21 ASN 48 7.914 -9.289 -9.289
331 H THR 49 HN THR 49 4.205 -11.234 -11.234
332 HA THR 49 HA THR 49 5.160 -10.113 -10.113
333 HB THR 49 HB THR 49 4.518 -12.358 -12.358
334 HG1 THR 49 HG1 THR 49 4.541 -12.888 -12.888
335 1HG2 THR 49 HG21 THR 49 2.870 -10.521 -10.521
336 2HG2 THR 49 HG23 THR 49 2.462 -11.074 -11.074
337 3HG2 THR 49 HG22 THR 49 2.115 -12.098 -12.098
338 H ILE 50 HN ILE 50 7.311 -10.080 -10.080
339 HA ILE 50 HA ILE 50 9.060 -12.126 -12.126
340 HB ILE 50 HB ILE 50 9.802 -9.629 -9.629
341 1HG1 ILE 50 HG12 ILE 50 9.855 -10.052 -10.052
342 2HG1 ILE 50 HG11 ILE 50 8.524 -9.249 -9.249
343 1HG2 ILE 50 HG23 ILE 50 11.511 -11.452 -11.452
344 2HG2 ILE 50 HG22 ILE 50 11.431 -11.392 -11.392
345 3HG2 ILE 50 HG21 ILE 50 12.018 -9.996 -9.996
346 1HD1 ILE 50 HD12 ILE 50 10.236 -7.669 -7.669
347 2HD1 ILE 50 HD11 ILE 50 11.421 -8.376 -8.376
348 3HD1 ILE 50 HD13 ILE 50 10.019 -7.520 -7.520
349 H ASP 51 HN ASP 51 10.320 -13.528 -13.528
350 HA ASP 51 HA ASP 51 9.254 -14.015 -14.015
351 1HB ASP 51 HB2 ASP 51 10.898 -15.902 -15.902
352 2HB ASP 51 HB1 ASP 51 9.817 -15.923 -15.923
353 H VAL 52 HN VAL 52 10.142 -13.290 -13.290
354 HA VAL 52 HA VAL 52 12.905 -12.216 -12.216
355 HB VAL 52 HB VAL 52 12.164 -10.485 -10.485
356 1HG1 VAL 52 HG11 VAL 52 12.248 -10.028 -10.028
357 2HG1 VAL 52 HG13 VAL 52 10.562 -10.529 -10.529
358 3HG1 VAL 52 HG12 VAL 52 10.987 -9.097 -9.097
359 1HG2 VAL 52 HG21 VAL 52 9.599 -11.979 -11.979
360 2HG2 VAL 52 HG23 VAL 52 10.251 -11.192 -11.192
361 3HG2 VAL 52 HG22 VAL 52 9.501 -10.227 -10.227
362 HA PRO 53 HA PRO 53 12.775 -15.976 -15.976
363 1HB PRO 53 HB2 PRO 53 15.632 -15.296 -15.296
364 2HB PRO 53 HB1 PRO 53 14.847 -16.810 -16.810
365 1HG PRO 53 HG2 PRO 53 15.884 -14.742 -14.742
366 2HG PRO 53 HG1 PRO 53 15.159 -16.288 -16.288
367 1HD PRO 53 HD2 PRO 53 14.022 -13.812 -13.812
368 2HD PRO 53 HD1 PRO 53 13.121 -15.340 -15.340
369 HA PRO 54 HA PRO 54 14.579 -13.098 -13.098
370 1HB PRO 54 HB2 PRO 54 15.805 -10.750 -10.750
371 2HB PRO 54 HB1 PRO 54 16.639 -12.292 -12.292
372 1HG PRO 54 HG2 PRO 54 16.236 -10.888 -10.888
373 2HG PRO 54 HG1 PRO 54 17.044 -12.444 -12.444
374 1HD PRO 54 HD2 PRO 54 14.280 -11.893 -11.893
375 2HD PRO 54 HD1 PRO 54 15.296 -13.324 -13.324
376 H GLU 55 HN GLU 55 12.878 -12.145 -12.145
377 HA GLU 55 HA GLU 55 11.064 -10.362 -10.362
378 1HB GLU 55 HB2 GLU 55 10.625 -12.135 -12.135
379 2HB GLU 55 HB1 GLU 55 10.958 -10.735 -10.735
380 1HG GLU 55 HG2 GLU 55 9.138 -9.521 -9.521
381 2HG GLU 55 HG1 GLU 55 9.046 -10.501 -10.501
382 H GLU 56 HN GLU 56 10.869 -8.120 -8.120
383 HA GLU 56 HA GLU 56 13.115 -6.874 -6.874
384 1HB GLU 56 HB2 GLU 56 12.502 -4.841 -4.841
385 2HB GLU 56 HB1 GLU 56 12.955 -6.213 -6.213
386 1HG GLU 56 HG2 GLU 56 10.647 -6.724 -6.724
387 2HG GLU 56 HG1 GLU 56 10.089 -5.551 -5.551
388 H GLU 57 HN GLU 57 12.403 -4.576 -4.576
389 HA GLU 57 HA GLU 57 9.928 -5.050 -5.050
390 1HB GLU 57 HB2 GLU 57 12.453 -3.490 -3.490
391 2HB GLU 57 HB1 GLU 57 10.982 -3.304 -3.304
392 1HG GLU 57 HG2 GLU 57 11.081 -5.489 -5.489
393 2HG GLU 57 HG1 GLU 57 12.077 -6.055 -6.055
394 H SER 58 HN SER 58 8.325 -3.439 -3.439
395 HA SER 58 HA SER 58 8.867 -0.990 -0.990
396 1HB SER 58 HB2 SER 58 6.351 -1.341 -1.341
397 2HB SER 58 HB1 SER 58 7.644 -2.156 -2.156
398 HG SER 58 HG SER 58 7.261 -3.992 -3.992
399 H GLU 59 HN GLU 59 6.739 0.507 0.507
400 HA GLU 59 HA GLU 59 6.610 0.981 0.981
401 1HB GLU 59 HB2 GLU 59 6.607 2.785 2.785
402 2HB GLU 59 HB1 GLU 59 4.970 2.280 2.280
403 1HG GLU 59 HG2 GLU 59 4.200 2.760 2.760
404 2HG GLU 59 HG1 GLU 59 5.842 3.167 3.167
405 H PHE 60 HN PHE 60 4.920 0.480 0.480
406 HA PHE 60 HA PHE 60 2.630 -0.978 -0.978
407 1HB PHE 60 HB2 PHE 60 4.306 -2.257 -2.257
408 2HB PHE 60 HB1 PHE 60 3.603 -1.340 -1.340
409 HD1 PHE 60 HD2 PHE 60 2.970 -3.888 -3.888
410 HD2 PHE 60 HD1 PHE 60 1.297 -1.696 -1.696
411 HE1 PHE 60 HE2 PHE 60 1.051 -5.459 -5.459
412 HE2 PHE 60 HE1 PHE 60 -0.620 -3.268 -3.268
413 HZ PHE 60 HZ PHE 60 -0.742 -5.149 -5.149
Start of MODEL 2
1 1H GLU 1 HT2 GLU 1 9.702 -10.444 -10.444
2 2H GLU 1 HT1 GLU 1 9.920 -9.686 -9.686
3 3H GLU 1 HT3 GLU 1 9.589 -11.346 -11.346
4 HA GLU 1 HA GLU 1 7.411 -11.027 -11.027
5 1HB GLU 1 HB2 GLU 1 8.331 -9.057 -9.057
6 2HB GLU 1 HB1 GLU 1 6.624 -9.247 -9.247
7 1HG GLU 1 HG2 GLU 1 6.586 -11.500 -11.500
8 2HG GLU 1 HG1 GLU 1 8.344 -11.632 -11.632
9 H ALA 2 HN ALA 2 7.635 -10.236 -10.236
10 HA ALA 2 HA ALA 2 6.472 -7.586 -7.586
11 1HB ALA 2 HB2 ALA 2 9.220 -8.211 -8.211
12 2HB ALA 2 HB1 ALA 2 8.250 -6.822 -6.822
13 3HB ALA 2 HB3 ALA 2 8.819 -6.962 -6.962
14 H GLN 3 HN GLN 3 5.703 -10.365 -10.365
15 HA GLN 3 HA GLN 3 5.928 -10.598 -10.598
16 1HB GLN 3 HB2 GLN 3 4.686 -12.250 -12.250
17 2HB GLN 3 HB1 GLN 3 4.305 -12.571 -12.571
18 1HG GLN 3 HG2 GLN 3 6.154 -13.961 -13.961
19 2HG GLN 3 HG1 GLN 3 6.907 -12.511 -12.511
20 1HE2 GLN 3 HE22 GLN 3 8.863 -12.004 -12.004
21 2HE2 GLN 3 HE21 GLN 3 8.630 -11.726 -11.726
22 H THR 4 HN THR 4 4.722 -9.018 -9.018
23 HA THR 4 HA THR 4 1.816 -9.117 -9.117
24 HB THR 4 HB THR 4 1.796 -6.563 -6.563
25 HG1 THR 4 HG1 THR 4 4.082 -6.129 -6.129
26 1HG2 THR 4 HG22 THR 4 1.353 -7.866 -7.866
27 2HG2 THR 4 HG21 THR 4 3.082 -7.886 -7.886
28 3HG2 THR 4 HG23 THR 4 2.199 -6.359 -6.359
29 H GLU 5 HN GLU 5 1.053 -7.091 -7.091
30 HA GLU 5 HA GLU 5 1.893 -8.218 -8.218
31 1HB GLU 5 HB2 GLU 5 -0.294 -6.409 -6.409
32 2HB GLU 5 HB1 GLU 5 0.171 -6.340 -6.340
33 1HG GLU 5 HG2 GLU 5 -0.311 -9.008 -9.008
34 2HG GLU 5 HG1 GLU 5 -1.685 -8.038 -8.038
35 H THR 6 HN THR 6 3.189 -7.164 -7.164
36 HA THR 6 HA THR 6 4.026 -4.400 -4.400
37 HB THR 6 HB THR 6 5.929 -6.277 -6.277
38 HG1 THR 6 HG1 THR 6 6.221 -7.410 -7.410
39 1HG2 THR 6 HG23 THR 6 6.423 -3.857 -3.857
40 2HG2 THR 6 HG22 THR 6 6.275 -4.069 -4.069
41 3HG2 THR 6 HG21 THR 6 7.566 -4.886 -4.886
42 H CYS 7 HN CYS 7 4.372 -3.019 -3.019
43 HA CYS 7 HA CYS 7 3.617 -4.189 -4.189
44 1HB CYS 7 HB2 CYS 7 2.863 -1.447 -1.447
45 2HB CYS 7 HB1 CYS 7 2.416 -2.116 -2.116
46 H THR 8 HN THR 8 6.293 -3.710 -3.710
47 HA THR 8 HA THR 8 7.277 -1.403 -1.403
48 HB THR 8 HB THR 8 8.090 -1.608 -1.608
49 HG1 THR 8 HG1 THR 8 10.054 -2.371 -2.371
50 1HG2 THR 8 HG22 THR 8 7.802 -4.227 -4.227
51 2HG2 THR 8 HG21 THR 8 9.492 -4.171 -4.171
52 3HG2 THR 8 HG23 THR 8 9.020 -3.538 -3.538
53 H VAL 9 HN VAL 9 7.948 -1.772 -1.772
54 HA VAL 9 HA VAL 9 9.514 -4.182 -4.182
55 HB VAL 9 HB VAL 9 7.049 -3.485 -3.485
56 1HG1 VAL 9 HG12 VAL 9 9.129 -5.677 -5.677
57 2HG1 VAL 9 HG11 VAL 9 7.567 -5.797 -5.797
58 3HG1 VAL 9 HG13 VAL 9 8.694 -4.517 -4.517
59 1HG2 VAL 9 HG23 VAL 9 7.558 -5.675 -5.675
60 2HG2 VAL 9 HG22 VAL 9 6.344 -4.400 -4.400
61 3HG2 VAL 9 HG21 VAL 9 6.193 -5.671 -5.671
62 H ALA 10 HN ALA 10 10.717 -3.972 -3.972
63 HA ALA 10 HA ALA 10 11.507 -1.252 -1.252
64 1HB ALA 10 HB2 ALA 10 12.229 -3.905 -3.905
65 2HB ALA 10 HB1 ALA 10 12.881 -2.380 -2.380
66 3HB ALA 10 HB3 ALA 10 13.219 -2.894 -2.894
67 HA PRO 11 HA PRO 11 8.541 0.277 0.277
68 1HB PRO 11 HB2 PRO 11 10.810 0.920 0.920
69 2HB PRO 11 HB1 PRO 11 9.626 2.001 2.001
70 1HG PRO 11 HG2 PRO 11 12.303 1.443 1.443
71 2HG PRO 11 HG1 PRO 11 11.129 2.551 2.551
72 1HD PRO 11 HD2 PRO 11 12.053 0.227 0.227
73 2HD PRO 11 HD1 PRO 11 10.539 1.049 1.049
74 H ARG 12 HN ARG 12 11.306 -1.653 -1.653
75 HA ARG 12 HA ARG 12 9.827 -2.464 -2.464
76 1HB ARG 12 HB2 ARG 12 12.527 -3.084 -3.084
77 2HB ARG 12 HB1 ARG 12 11.875 -4.095 -4.095
78 1HG ARG 12 HG2 ARG 12 11.628 -2.162 -2.162
79 2HG ARG 12 HG1 ARG 12 12.123 -1.077 -1.077
80 1HD ARG 12 HD2 ARG 12 14.347 -1.721 -1.721
81 2HD ARG 12 HD1 ARG 12 13.959 -3.316 -3.316
82 HE ARG 12 HE ARG 12 13.276 -1.159 -1.159
83 1HH1 ARG 12 HH11 ARG 12 15.793 -3.287 -3.287
84 2HH1 ARG 12 HH12 ARG 12 16.717 -3.191 -3.191
85 1HH2 ARG 12 HH21 ARG 12 14.503 -1.046 -1.046
86 2HH2 ARG 12 HH22 ARG 12 15.988 -1.927 -1.927
87 H GLU 13 HN GLU 13 10.887 -4.012 -4.012
88 HA GLU 13 HA GLU 13 9.641 -6.528 -6.528
89 1HB GLU 13 HB2 GLU 13 10.493 -5.454 -5.454
90 2HB GLU 13 HB1 GLU 13 10.181 -7.141 -7.141
91 1HG GLU 13 HG2 GLU 13 11.995 -6.812 -6.812
92 2HG GLU 13 HG1 GLU 13 12.453 -5.380 -5.380
93 H ARG 14 HN ARG 14 8.139 -3.697 -3.697
94 HA ARG 14 HA ARG 14 6.165 -4.385 -4.385
95 1HB ARG 14 HB2 ARG 14 6.505 -2.130 -2.130
96 2HB ARG 14 HB1 ARG 14 5.002 -2.328 -2.328
97 1HG ARG 14 HG2 ARG 14 6.699 -2.561 -2.561
98 2HG ARG 14 HG1 ARG 14 7.725 -1.596 -1.596
99 1HD ARG 14 HD2 ARG 14 6.166 0.186 0.186
100 2HD ARG 14 HD1 ARG 14 4.860 -0.821 -0.821
101 HE ARG 14 HE ARG 14 6.709 -0.851 -0.851
102 1HH1 ARG 14 HH11 ARG 14 5.136 1.652 1.652
103 2HH1 ARG 14 HH12 ARG 14 5.179 2.810 2.810
104 1HH2 ARG 14 HH21 ARG 14 6.753 0.677 0.677
105 2HH2 ARG 14 HH22 ARG 14 6.091 2.259 2.259
106 H GLN 15 HN GLN 15 4.413 -5.680 -5.680
107 HA GLN 15 HA GLN 15 3.807 -6.402 -6.402
108 1HB GLN 15 HB2 GLN 15 2.560 -7.478 -7.478
109 2HB GLN 15 HB1 GLN 15 2.486 -8.195 -8.195
110 1HG GLN 15 HG2 GLN 15 5.020 -7.805 -7.805
111 2HG GLN 15 HG1 GLN 15 4.164 -9.333 -9.333
112 1HE2 GLN 15 HE22 GLN 15 4.977 -9.327 -9.327
113 2HE2 GLN 15 HE21 GLN 15 3.556 -9.389 -9.389
114 H ASN 16 HN ASN 16 2.121 -5.476 -5.476
115 HA ASN 16 HA ASN 16 0.538 -3.451 -3.451
116 1HB ASN 16 HB2 ASN 16 1.261 -3.928 -3.928
117 2HB ASN 16 HB1 ASN 16 -0.377 -4.578 -4.578
118 1HD2 ASN 16 HD22 ASN 16 -0.570 -0.909 -0.909
119 2HD2 ASN 16 HD21 ASN 16 0.186 -2.237 -2.237
120 H CYS 17 HN CYS 17 -1.168 -3.878 -3.878
121 HA CYS 17 HA CYS 17 -2.511 -6.464 -6.464
122 1HB CYS 17 HB2 CYS 17 -1.942 -4.882 -4.882
123 2HB CYS 17 HB1 CYS 17 -3.509 -4.190 -4.190
124 H GLY 18 HN GLY 18 -2.792 -3.529 -3.529
125 1HA GLY 18 HA2 GLY 18 -5.075 -4.214 -4.214
126 2HA GLY 18 HA1 GLY 18 -5.604 -3.165 -3.165
127 H PHE 19 HN PHE 19 -5.904 -2.151 -2.151
128 HA PHE 19 HA PHE 19 -3.644 -0.749 -0.749
129 1HB PHE 19 HB2 PHE 19 -5.425 0.751 0.751
130 2HB PHE 19 HB1 PHE 19 -5.464 -0.960 -0.960
131 HD1 PHE 19 HD1 PHE 19 -7.122 -2.474 -2.474
132 HD2 PHE 19 HD2 PHE 19 -7.274 1.809 1.809
133 HE1 PHE 19 HE1 PHE 19 -9.476 -2.614 -2.614
134 HE2 PHE 19 HE2 PHE 19 -9.630 1.666 1.666
135 HZ PHE 19 HZ PHE 19 -10.728 -0.544 -0.544
136 HA PRO 20 HA PRO 20 -3.350 2.721 2.721
137 1HB PRO 20 HB2 PRO 20 -2.729 4.754 4.754
138 2HB PRO 20 HB1 PRO 20 -1.586 3.591 3.591
139 1HG PRO 20 HG2 PRO 20 -2.481 3.810 3.810
140 2HG PRO 20 HG1 PRO 20 -1.318 2.666 2.666
141 1HD PRO 20 HD2 PRO 20 -4.127 2.237 2.237
142 2HD PRO 20 HD1 PRO 20 -2.860 1.043 1.043
143 H GLY 21 HN GLY 21 -5.481 3.229 3.229
144 1HA GLY 21 HA2 GLY 21 -6.686 5.646 5.646
145 2HA GLY 21 HA1 GLY 21 -7.443 4.441 4.441
146 H VAL 22 HN VAL 22 -6.686 2.630 2.630
147 HA VAL 22 HA VAL 22 -9.338 2.417 2.417
148 HB VAL 22 HB VAL 22 -8.319 1.163 1.163
149 1HG1 VAL 22 HG11 VAL 22 -7.149 0.542 0.542
150 2HG1 VAL 22 HG13 VAL 22 -7.288 -0.598 -0.598
151 3HG1 VAL 22 HG12 VAL 22 -8.740 0.044 0.044
152 1HG2 VAL 22 HG23 VAL 22 -5.891 2.524 2.524
153 2HG2 VAL 22 HG22 VAL 22 -6.292 2.077 2.077
154 3HG2 VAL 22 HG21 VAL 22 -5.692 0.855 0.855
155 H THR 23 HN THR 23 -9.546 2.622 2.622
156 HA THR 23 HA THR 23 -8.590 5.312 5.312
157 HB THR 23 HB THR 23 -10.941 5.651 5.651
158 HG1 THR 23 HG1 THR 23 -12.514 4.364 4.364
159 1HG2 THR 23 HG23 THR 23 -10.234 5.690 5.690
160 2HG2 THR 23 HG22 THR 23 -11.852 6.166 6.166
161 3HG2 THR 23 HG21 THR 23 -10.444 7.043 7.043
162 HA PRO 24 HA PRO 24 -7.449 3.903 3.903
163 1HB PRO 24 HB2 PRO 24 -9.559 5.447 5.447
164 2HB PRO 24 HB1 PRO 24 -7.805 5.659 5.659
165 1HG PRO 24 HG2 PRO 24 -9.739 7.116 7.116
166 2HG PRO 24 HG1 PRO 24 -8.011 7.434 7.434
167 1HD PRO 24 HD2 PRO 24 -9.142 6.596 6.596
168 2HD PRO 24 HD1 PRO 24 -7.443 6.331 6.331
169 H SER 25 HN SER 25 -10.999 4.135 4.135
170 HA SER 25 HA SER 25 -11.674 2.170 2.170
171 1HB SER 25 HB2 SER 25 -13.885 2.187 2.187
172 2HB SER 25 HB1 SER 25 -13.297 3.823 3.823
173 HG SER 25 HG SER 25 -13.739 3.970 3.970
174 H GLN 26 HN GLN 26 -11.174 2.021 2.021
175 HA GLN 26 HA GLN 26 -11.889 -0.718 -0.718
176 1HB GLN 26 HB2 GLN 26 -10.104 1.077 1.077
177 2HB GLN 26 HB1 GLN 26 -10.555 -0.562 -0.562
178 1HG GLN 26 HG2 GLN 26 -12.719 1.355 1.355
179 2HG GLN 26 HG1 GLN 26 -11.997 1.500 1.500
180 1HE2 GLN 26 HE22 GLN 26 -13.902 -1.165 -1.165
181 2HE2 GLN 26 HE21 GLN 26 -13.069 0.283 0.283
182 H CYS 27 HN CYS 27 -8.634 0.837 0.837
183 HA CYS 27 HA CYS 27 -7.188 -1.594 -1.594
184 1HB CYS 27 HB2 CYS 27 -6.269 0.740 0.740
185 2HB CYS 27 HB1 CYS 27 -6.361 0.996 0.996
186 H ALA 28 HN ALA 28 -9.111 0.007 0.007
187 HA ALA 28 HA ALA 28 -7.829 -1.561 -1.561
188 1HB ALA 28 HB2 ALA 28 -9.840 0.699 0.699
189 2HB ALA 28 HB1 ALA 28 -9.341 -0.178 -0.178
190 3HB ALA 28 HB3 ALA 28 -8.159 0.759 0.759
191 H ASN 29 HN ASN 29 -10.318 -1.915 -1.915
192 HA ASN 29 HA ASN 29 -12.345 -3.039 -3.039
193 1HB ASN 29 HB2 ASN 29 -12.759 -2.099 -2.099
194 2HB ASN 29 HB1 ASN 29 -11.917 -3.498 -3.498
195 1HD2 ASN 29 HD22 ASN 29 -15.479 -4.220 -4.220
196 2HD2 ASN 29 HD21 ASN 29 -14.474 -2.972 -2.972
197 H LYS 30 HN LYS 30 -9.749 -4.431 -4.431
198 HA LYS 30 HA LYS 30 -10.442 -7.129 -7.129
199 1HB LYS 30 HB2 LYS 30 -9.495 -6.353 -6.353
200 2HB LYS 30 HB1 LYS 30 -7.937 -6.438 -6.438
201 1HG LYS 30 HG2 LYS 30 -7.972 -8.713 -8.713
202 2HG LYS 30 HG1 LYS 30 -9.701 -8.769 -8.769
203 1HD LYS 30 HD2 LYS 30 -10.173 -8.272 -8.272
204 2HD LYS 30 HD1 LYS 30 -8.440 -8.278 -8.278
205 1HE LYS 30 HE2 LYS 30 -9.544 -10.659 -10.659
206 2HE LYS 30 HE1 LYS 30 -9.965 -10.474 -10.474
207 1HZ LYS 30 HZ1 LYS 30 -7.240 -10.419 -10.419
208 2HZ LYS 30 HZ3 LYS 30 -7.942 -11.718 -11.718
209 3HZ LYS 30 HZ2 LYS 30 -7.647 -10.254 -10.254
210 H GLY 31 HN GLY 31 -7.811 -4.752 -4.752
211 1HA GLY 31 HA2 GLY 31 -6.989 -4.761 -4.761
212 2HA GLY 31 HA1 GLY 31 -6.769 -6.497 -6.497
213 H CYS 32 HN CYS 32 -6.153 -4.466 -4.466
214 HA CYS 32 HA CYS 32 -3.378 -5.286 -5.286
215 1HB CYS 32 HB2 CYS 32 -4.828 -3.306 -3.306
216 2HB CYS 32 HB1 CYS 32 -3.272 -4.063 -4.063
217 H CYS 33 HN CYS 33 -1.572 -4.002 -4.002
218 HA CYS 33 HA CYS 33 -1.945 -1.810 -1.810
219 1HB CYS 33 HB2 CYS 33 0.525 -2.649 -2.649
220 2HB CYS 33 HB1 CYS 33 0.502 -1.550 -1.550
221 H PHE 34 HN PHE 34 -2.428 0.287 0.287
222 HA PHE 34 HA PHE 34 -2.098 1.138 1.138
223 1HB PHE 34 HB2 PHE 34 -4.295 1.477 1.477
224 2HB PHE 34 HB1 PHE 34 -3.497 2.525 2.525
225 HD1 PHE 34 HD2 PHE 34 -2.545 4.696 4.696
226 HD2 PHE 34 HD1 PHE 34 -4.699 2.210 2.210
227 HE1 PHE 34 HE2 PHE 34 -2.756 6.611 6.611
228 HE2 PHE 34 HE1 PHE 34 -4.910 4.126 4.126
229 HZ PHE 34 HZ PHE 34 -3.937 6.328 6.328
230 H ASP 35 HN ASP 35 -0.865 3.026 3.026
231 HA ASP 35 HA ASP 35 0.479 4.537 4.537
232 1HB ASP 35 HB2 ASP 35 1.831 2.407 2.407
233 2HB ASP 35 HB1 ASP 35 2.182 2.843 2.843
234 H ASP 36 HN ASP 36 0.979 6.568 6.568
235 HA ASP 36 HA ASP 36 1.116 6.864 6.864
236 1HB ASP 36 HB2 ASP 36 -0.187 8.987 8.987
237 2HB ASP 36 HB1 ASP 36 -1.127 7.549 7.549
238 H THR 37 HN THR 37 3.311 6.709 6.709
239 HA THR 37 HA THR 37 4.182 9.353 9.353
240 HB THR 37 HB THR 37 6.328 8.268 8.268
241 HG1 THR 37 HG1 THR 37 6.656 6.150 6.150
242 1HG2 THR 37 HG22 THR 37 3.836 6.760 6.760
243 2HG2 THR 37 HG21 THR 37 5.423 6.382 6.382
244 3HG2 THR 37 HG23 THR 37 4.714 7.976 7.976
245 H VAL 38 HN VAL 38 5.391 7.045 7.045
246 HA VAL 38 HA VAL 38 6.361 9.408 9.408
247 HB VAL 38 HB VAL 38 7.221 6.512 6.512
248 1HG1 VAL 38 HG11 VAL 38 7.454 8.171 8.171
249 2HG1 VAL 38 HG13 VAL 38 8.668 8.974 8.974
250 3HG1 VAL 38 HG12 VAL 38 8.901 7.296 7.296
251 1HG2 VAL 38 HG23 VAL 38 8.531 8.857 8.857
252 2HG2 VAL 38 HG22 VAL 38 7.856 7.423 7.423
253 3HG2 VAL 38 HG21 VAL 38 9.282 7.281 7.281
254 H ARG 39 HN ARG 39 5.615 9.735 9.735
255 HA ARG 39 HA ARG 39 3.314 8.146 8.146
256 1HB ARG 39 HB2 ARG 39 3.239 9.779 9.779
257 2HB ARG 39 HB1 ARG 39 3.205 10.554 10.554
258 1HG ARG 39 HG2 ARG 39 5.521 11.151 11.151
259 2HG ARG 39 HG1 ARG 39 5.766 10.124 10.124
260 1HD ARG 39 HD2 ARG 39 5.093 11.758 11.758
261 2HD ARG 39 HD1 ARG 39 3.628 12.046 12.046
262 HE ARG 39 HE ARG 39 4.773 13.721 13.721
263 1HH1 ARG 39 HH21 ARG 39 6.851 12.019 12.019
264 2HH1 ARG 39 HH22 ARG 39 8.138 13.172 13.172
265 1HH2 ARG 39 HH11 ARG 39 6.472 15.219 15.219
266 2HH2 ARG 39 HH12 ARG 39 7.923 14.975 14.975
267 H GLY 40 HN GLY 40 3.320 7.699 7.699
268 1HA GLY 40 HA2 GLY 40 4.350 6.661 6.661
269 2HA GLY 40 HA1 GLY 40 5.908 6.861 6.861
270 H VAL 41 HN VAL 41 5.451 5.589 5.589
271 HA VAL 41 HA VAL 41 5.465 2.801 2.801
272 HB VAL 41 HB VAL 41 6.038 2.386 2.386
273 1HG1 VAL 41 HG13 VAL 41 7.584 4.328 4.328
274 2HG1 VAL 41 HG12 VAL 41 8.196 3.857 3.857
275 3HG1 VAL 41 HG11 VAL 41 7.933 2.633 2.633
276 1HG2 VAL 41 HG23 VAL 41 4.737 4.593 4.593
277 2HG2 VAL 41 HG22 VAL 41 6.152 4.114 4.114
278 3HG2 VAL 41 HG21 VAL 41 6.295 5.362 5.362
279 HA PRO 42 HA PRO 42 1.327 1.651 1.651
280 1HB PRO 42 HB2 PRO 42 1.795 -0.653 -0.653
281 2HB PRO 42 HB1 PRO 42 1.659 -0.581 -0.581
282 1HG PRO 42 HG2 PRO 42 4.066 -0.787 -0.787
283 2HG PRO 42 HG1 PRO 42 3.786 -1.373 -1.373
284 1HD PRO 42 HD2 PRO 42 5.297 0.830 0.830
285 2HD PRO 42 HD1 PRO 42 4.426 0.610 0.610
286 H TRP 43 HN TRP 43 -0.030 2.453 2.453
287 HA TRP 43 HA TRP 43 1.099 3.113 3.113
288 1HB TRP 43 HB2 TRP 43 -1.553 3.688 3.688
289 2HB TRP 43 HB1 TRP 43 -1.213 4.140 4.140
290 HD1 TRP 43 HD1 TRP 43 1.846 4.449 4.449
291 HE1 TRP 43 HE1 TRP 43 2.285 6.920 6.920
292 HE3 TRP 43 HE3 TRP 43 -2.601 6.505 6.505
293 HZ2 TRP 43 HZ2 TRP 43 0.934 9.433 9.433
294 HZ3 TRP 43 HZ3 TRP 43 -2.996 8.939 8.939
295 HH2 TRP 43 HH2 TRP 43 -1.236 10.404 10.404
296 H CYS 44 HN CYS 44 -1.586 1.145 1.145
297 HA CYS 44 HA CYS 44 -2.074 -0.032 -0.032
298 1HB CYS 44 HB2 CYS 44 -3.926 0.590 0.590
299 2HB CYS 44 HB1 CYS 44 -3.366 -0.723 -0.723
300 H PHE 45 HN PHE 45 -0.609 -1.622 -1.622
301 HA PHE 45 HA PHE 45 -0.003 -3.690 -3.690
302 1HB PHE 45 HB2 PHE 45 2.329 -3.765 -3.765
303 2HB PHE 45 HB1 PHE 45 1.932 -2.151 -2.151
304 HD1 PHE 45 HD1 PHE 45 0.944 -0.525 -0.525
305 HD2 PHE 45 HD2 PHE 45 3.438 -3.948 -3.948
306 HE1 PHE 45 HE1 PHE 45 1.609 0.415 0.415
307 HE2 PHE 45 HE2 PHE 45 4.104 -3.007 -3.007
308 HZ PHE 45 HZ PHE 45 3.190 -0.824 -0.824
309 H TYR 46 HN TYR 46 1.144 -5.644 -5.644
310 HA TYR 46 HA TYR 46 -0.712 -6.454 -6.454
311 1HB TYR 46 HB2 TYR 46 1.476 -7.766 -7.766
312 2HB TYR 46 HB1 TYR 46 0.916 -8.528 -8.528
313 HD1 TYR 46 HD1 TYR 46 -1.630 -8.909 -8.909
314 HD2 TYR 46 HD2 TYR 46 0.264 -8.022 -8.022
315 HE1 TYR 46 HE1 TYR 46 -3.593 -9.819 -9.819
316 HE2 TYR 46 HE2 TYR 46 -1.701 -8.933 -8.933
317 HH TYR 46 HH TYR 46 -3.731 -10.886 -10.886
318 HA PRO 47 HA PRO 47 2.130 -5.852 -5.852
319 1HB PRO 47 HB2 PRO 47 1.286 -7.903 -7.903
320 2HB PRO 47 HB1 PRO 47 0.413 -6.381 -6.381
321 1HG PRO 47 HG2 PRO 47 -0.374 -9.016 -9.016
322 2HG PRO 47 HG1 PRO 47 -1.261 -7.496 -7.496
323 1HD PRO 47 HD2 PRO 47 0.362 -8.972 -8.972
324 2HD PRO 47 HD1 PRO 47 -0.899 -7.748 -7.748
325 H ASN 48 HN ASN 48 3.310 -7.633 -7.633
326 HA ASN 48 HA ASN 48 4.561 -9.820 -9.820
327 1HB ASN 48 HB2 ASN 48 5.895 -7.192 -7.192
328 2HB ASN 48 HB1 ASN 48 6.863 -8.616 -8.616
329 1HD2 ASN 48 HD22 ASN 48 7.161 -9.640 -9.640
330 2HD2 ASN 48 HD21 ASN 48 7.451 -10.039 -10.039
331 H THR 49 HN THR 49 4.038 -11.243 -11.243
332 HA THR 49 HA THR 49 4.474 -10.504 -10.504
333 HB THR 49 HB THR 49 3.814 -12.904 -12.904
334 HG1 THR 49 HG1 THR 49 3.702 -14.209 -14.209
335 1HG2 THR 49 HG22 THR 49 2.211 -10.902 -10.902
336 2HG2 THR 49 HG21 THR 49 1.883 -11.574 -11.574
337 3HG2 THR 49 HG23 THR 49 1.526 -12.521 -12.521
338 H ILE 50 HN ILE 50 6.701 -10.182 -10.182
339 HA ILE 50 HA ILE 50 8.357 -12.617 -12.617
340 HB ILE 50 HB ILE 50 9.284 -9.816 -9.816
341 1HG1 ILE 50 HG12 ILE 50 8.773 -12.169 -12.169
342 2HG1 ILE 50 HG11 ILE 50 7.647 -10.828 -10.828
343 1HG2 ILE 50 HG22 ILE 50 10.585 -12.485 -12.485
344 2HG2 ILE 50 HG21 ILE 50 11.107 -11.473 -11.473
345 3HG2 ILE 50 HG23 ILE 50 11.242 -10.878 -10.878
346 1HD1 ILE 50 HD12 ILE 50 9.780 -9.359 -9.359
347 2HD1 ILE 50 HD11 ILE 50 10.353 -10.842 -10.842
348 3HD1 ILE 50 HD13 ILE 50 8.858 -10.086 -10.086
349 H ASP 51 HN ASP 51 10.366 -12.451 -12.451
350 HA ASP 51 HA ASP 51 9.662 -10.970 -10.970
351 1HB ASP 51 HB2 ASP 51 10.150 -13.635 -13.635
352 2HB ASP 51 HB1 ASP 51 11.772 -13.052 -13.052
353 H VAL 52 HN VAL 52 12.151 -10.993 -10.993
354 HA VAL 52 HA VAL 52 13.903 -9.529 -9.529
355 HB VAL 52 HB VAL 52 14.400 -7.937 -7.937
356 1HG1 VAL 52 HG13 VAL 52 11.610 -8.230 -8.230
357 2HG1 VAL 52 HG12 VAL 52 12.026 -6.881 -6.881
358 3HG1 VAL 52 HG11 VAL 52 12.868 -7.090 -7.090
359 1HG2 VAL 52 HG21 VAL 52 12.146 -9.484 -9.484
360 2HG2 VAL 52 HG23 VAL 52 13.792 -9.279 -9.279
361 3HG2 VAL 52 HG22 VAL 52 12.691 -7.902 -7.902
362 HA PRO 53 HA PRO 53 17.118 -11.918 -11.918
363 1HB PRO 53 HB2 PRO 53 19.268 -10.404 -10.404
364 2HB PRO 53 HB1 PRO 53 18.386 -11.551 -11.551
365 1HG PRO 53 HG2 PRO 53 18.503 -8.701 -8.701
366 2HG PRO 53 HG1 PRO 53 17.645 -9.854 -9.854
367 1HD PRO 53 HD2 PRO 53 16.595 -8.173 -8.173
368 2HD PRO 53 HD1 PRO 53 15.734 -8.927 -8.927
369 HA PRO 54 HA PRO 54 18.347 -10.678 -10.678
370 1HB PRO 54 HB2 PRO 54 21.188 -10.827 -10.827
371 2HB PRO 54 HB1 PRO 54 20.285 -11.786 -11.786
372 1HG PRO 54 HG2 PRO 54 21.027 -12.493 -12.493
373 2HG PRO 54 HG1 PRO 54 20.199 -13.478 -13.478
374 1HD PRO 54 HD2 PRO 54 19.027 -12.573 -12.573
375 2HD PRO 54 HD1 PRO 54 18.128 -13.027 -13.027
376 H GLU 55 HN GLU 55 20.412 -9.270 -9.270
377 HA GLU 55 HA GLU 55 20.058 -6.634 -6.634
378 1HB GLU 55 HB2 GLU 55 22.345 -7.756 -7.756
379 2HB GLU 55 HB1 GLU 55 22.665 -7.466 -7.466
380 1HG GLU 55 HG2 GLU 55 22.627 -5.145 -5.145
381 2HG GLU 55 HG1 GLU 55 21.657 -5.219 -5.219
382 H GLU 56 HN GLU 56 20.591 -4.815 -4.815
383 HA GLU 56 HA GLU 56 19.773 -5.652 -5.652
384 1HB GLU 56 HB2 GLU 56 18.409 -3.975 -3.975
385 2HB GLU 56 HB1 GLU 56 19.560 -2.815 -2.815
386 1HG GLU 56 HG2 GLU 56 17.684 -2.809 -2.809
387 2HG GLU 56 HG1 GLU 56 18.951 -3.726 -3.726
388 H GLU 57 HN GLU 57 21.445 -5.591 -5.591
389 HA GLU 57 HA GLU 57 23.305 -3.310 -3.310
390 1HB GLU 57 HB2 GLU 57 24.146 -5.531 -5.531
391 2HB GLU 57 HB1 GLU 57 24.451 -6.034 -6.034
392 1HG GLU 57 HG2 GLU 57 25.975 -4.274 -4.274
393 2HG GLU 57 HG1 GLU 57 25.397 -3.355 -3.355
394 H SER 58 HN SER 58 22.882 -2.412 -2.412
395 HA SER 58 HA SER 58 23.235 -4.165 -4.165
396 1HB SER 58 HB2 SER 58 21.003 -2.140 -2.140
397 2HB SER 58 HB1 SER 58 21.237 -3.466 -3.466
398 HG SER 58 HG SER 58 19.675 -3.639 -3.639
399 H GLU 59 HN GLU 59 24.759 -3.224 -3.224
400 HA GLU 59 HA GLU 59 24.881 -0.260 -0.260
401 1HB GLU 59 HB2 GLU 59 26.750 -1.318 -1.318
402 2HB GLU 59 HB1 GLU 59 27.264 -2.122 -2.122
403 1HG GLU 59 HG2 GLU 59 28.574 -0.129 -0.129
404 2HG GLU 59 HG1 GLU 59 27.337 0.194 0.194
405 H PHE 60 HN PHE 60 24.170 0.295 0.295
406 HA PHE 60 HA PHE 60 25.299 -1.240 -1.240
407 1HB PHE 60 HB2 PHE 60 22.819 -1.634 -1.634
408 2HB PHE 60 HB1 PHE 60 22.567 0.059 0.059
409 HD1 PHE 60 HD1 PHE 60 23.651 -3.251 -3.251
410 HD2 PHE 60 HD2 PHE 60 22.804 0.830 0.830
411 HE1 PHE 60 HE1 PHE 60 23.691 -3.856 -3.856
412 HE2 PHE 60 HE2 PHE 60 22.842 0.225 0.225
413 HZ PHE 60 HZ PHE 60 23.286 -2.119 -2.119
Start of MODEL 3
1 1H GLU 1 HT2 GLU 1 10.191 -10.988 -10.988
2 2H GLU 1 HT1 GLU 1 10.753 -12.426 -12.426
3 3H GLU 1 HT3 GLU 1 10.957 -12.167 -12.167
4 HA GLU 1 HA GLU 1 9.138 -13.366 -13.366
5 1HB GLU 1 HB2 GLU 1 8.936 -12.827 -12.827
6 2HB GLU 1 HB1 GLU 1 7.467 -13.325 -13.325
7 1HG GLU 1 HG2 GLU 1 10.033 -14.835 -14.835
8 2HG GLU 1 HG1 GLU 1 9.037 -15.168 -15.168
9 H ALA 2 HN ALA 2 9.456 -10.368 -10.368
10 HA ALA 2 HA ALA 2 6.570 -9.673 -9.673
11 1HB ALA 2 HB1 ALA 2 9.015 -7.901 -7.901
12 2HB ALA 2 HB3 ALA 2 7.378 -7.289 -7.289
13 3HB ALA 2 HB2 ALA 2 7.779 -8.176 -8.176
14 H GLN 3 HN GLN 3 6.240 -10.621 -10.621
15 HA GLN 3 HA GLN 3 7.893 -9.725 -9.725
16 1HB GLN 3 HB2 GLN 3 5.624 -11.614 -11.614
17 2HB GLN 3 HB1 GLN 3 5.800 -10.907 -10.907
18 1HG GLN 3 HG2 GLN 3 7.089 -12.941 -12.941
19 2HG GLN 3 HG1 GLN 3 8.233 -11.600 -11.600
20 1HE2 GLN 3 HE22 GLN 3 7.689 -13.811 -13.811
21 2HE2 GLN 3 HE21 GLN 3 6.431 -13.728 -13.728
22 H THR 4 HN THR 4 6.802 -8.665 -8.665
23 HA THR 4 HA THR 4 4.430 -7.070 -7.070
24 HB THR 4 HB THR 4 5.844 -5.038 -5.038
25 HG1 THR 4 HG1 THR 4 7.834 -5.667 -5.667
26 1HG2 THR 4 HG22 THR 4 4.749 -5.395 -5.395
27 2HG2 THR 4 HG21 THR 4 6.348 -5.901 -5.901
28 3HG2 THR 4 HG23 THR 4 6.104 -4.269 -4.269
29 H GLU 5 HN GLU 5 3.519 -6.033 -6.033
30 HA GLU 5 HA GLU 5 3.886 -7.682 -7.682
31 1HB GLU 5 HB2 GLU 5 2.151 -5.350 -5.350
32 2HB GLU 5 HB1 GLU 5 2.311 -5.795 -5.795
33 1HG GLU 5 HG2 GLU 5 1.505 -8.020 -8.020
34 2HG GLU 5 HG1 GLU 5 1.582 -7.779 -7.779
35 H THR 6 HN THR 6 4.163 -6.501 -6.501
36 HA THR 6 HA THR 6 5.938 -4.173 -4.173
37 HB THR 6 HB THR 6 6.835 -6.725 -6.725
38 HG1 THR 6 HG1 THR 6 8.444 -6.304 -6.304
39 1HG2 THR 6 HG21 THR 6 8.045 -4.006 -4.006
40 2HG2 THR 6 HG23 THR 6 9.052 -5.415 -5.415
41 3HG2 THR 6 HG22 THR 6 7.869 -4.872 -4.872
42 H CYS 7 HN CYS 7 4.367 -3.024 -3.024
43 HA CYS 7 HA CYS 7 3.535 -4.189 -4.189
44 1HB CYS 7 HB2 CYS 7 2.877 -1.560 -1.560
45 2HB CYS 7 HB1 CYS 7 2.237 -2.051 -2.051
46 H THR 8 HN THR 8 6.027 -2.153 -2.153
47 HA THR 8 HA THR 8 6.442 -0.523 -0.523
48 HB THR 8 HB THR 8 7.327 0.155 0.155
49 HG1 THR 8 HG1 THR 8 9.751 -0.172 -0.172
50 1HG2 THR 8 HG23 THR 8 8.025 -2.582 -2.582
51 2HG2 THR 8 HG22 THR 8 9.541 -1.683 -1.683
52 3HG2 THR 8 HG21 THR 8 8.292 -1.309 -1.309
53 H VAL 9 HN VAL 9 6.965 -1.406 -1.406
54 HA VAL 9 HA VAL 9 9.023 -3.545 -3.545
55 HB VAL 9 HB VAL 9 6.651 -3.305 -3.305
56 1HG1 VAL 9 HG13 VAL 9 8.908 -5.301 -5.301
57 2HG1 VAL 9 HG12 VAL 9 7.427 -5.662 -5.662
58 3HG1 VAL 9 HG11 VAL 9 8.481 -4.354 -4.354
59 1HG2 VAL 9 HG23 VAL 9 7.163 -4.975 -4.975
60 2HG2 VAL 9 HG22 VAL 9 5.726 -4.043 -4.043
61 3HG2 VAL 9 HG21 VAL 9 6.078 -5.546 -5.546
62 H ALA 10 HN ALA 10 10.149 -3.620 -3.620
63 HA ALA 10 HA ALA 10 11.047 -0.977 -0.977
64 1HB ALA 10 HB3 ALA 10 11.700 -3.743 -3.743
65 2HB ALA 10 HB2 ALA 10 11.956 -2.553 -2.553
66 3HB ALA 10 HB1 ALA 10 12.772 -2.369 -2.369
67 HA PRO 11 HA PRO 11 7.718 0.443 0.443
68 1HB PRO 11 HB2 PRO 11 9.855 1.532 1.532
69 2HB PRO 11 HB1 PRO 11 8.555 2.375 2.375
70 1HG PRO 11 HG2 PRO 11 11.289 2.128 2.128
71 2HG PRO 11 HG1 PRO 11 9.983 2.957 2.957
72 1HD PRO 11 HD2 PRO 11 11.290 0.658 0.658
73 2HD PRO 11 HD1 PRO 11 9.723 1.240 1.240
74 H ARG 12 HN ARG 12 10.716 -0.744 -0.744
75 HA ARG 12 HA ARG 12 9.272 -1.624 -1.624
76 1HB ARG 12 HB2 ARG 12 11.444 -2.722 -2.722
77 2HB ARG 12 HB1 ARG 12 11.620 -1.012 -1.012
78 1HG ARG 12 HG2 ARG 12 12.128 -1.763 -1.763
79 2HG ARG 12 HG1 ARG 12 12.284 -3.393 -3.393
80 1HD ARG 12 HD2 ARG 12 13.893 -2.266 -2.266
81 2HD ARG 12 HD1 ARG 12 13.986 -0.973 -0.973
82 HE ARG 12 HE ARG 12 14.427 -3.629 -3.629
83 1HH1 ARG 12 HH11 ARG 12 15.840 -0.817 -0.817
84 2HH1 ARG 12 HH12 ARG 12 17.429 -1.120 -1.120
85 1HH2 ARG 12 HH21 ARG 12 16.516 -4.005 -4.005
86 2HH2 ARG 12 HH22 ARG 12 17.807 -2.917 -2.917
87 H GLU 13 HN GLU 13 10.519 -3.204 -3.204
88 HA GLU 13 HA GLU 13 9.498 -5.793 -5.793
89 1HB GLU 13 HB2 GLU 13 11.246 -4.851 -4.851
90 2HB GLU 13 HB1 GLU 13 10.379 -6.375 -6.375
91 1HG GLU 13 HG2 GLU 13 11.360 -7.261 -7.261
92 2HG GLU 13 HG1 GLU 13 12.122 -5.709 -5.709
93 H ARG 14 HN ARG 14 7.463 -3.849 -3.849
94 HA ARG 14 HA ARG 14 6.214 -4.616 -4.616
95 1HB ARG 14 HB2 ARG 14 6.094 -2.226 -2.226
96 2HB ARG 14 HB1 ARG 14 4.565 -2.717 -2.717
97 1HG ARG 14 HG2 ARG 14 5.540 -2.633 -2.633
98 2HG ARG 14 HG1 ARG 14 7.136 -2.294 -2.294
99 1HD ARG 14 HD2 ARG 14 5.853 -0.275 -0.275
100 2HD ARG 14 HD1 ARG 14 4.743 -0.505 -0.505
101 HE ARG 14 HE ARG 14 7.543 -0.370 -0.370
102 1HH1 ARG 14 HH11 ARG 14 4.588 1.376 1.376
103 2HH1 ARG 14 HH12 ARG 14 5.031 2.729 2.729
104 1HH2 ARG 14 HH21 ARG 14 8.101 1.415 1.415
105 2HH2 ARG 14 HH22 ARG 14 7.009 2.752 2.752
106 H GLN 15 HN GLN 15 4.429 -5.957 -5.957
107 HA GLN 15 HA GLN 15 3.577 -7.066 -7.066
108 1HB GLN 15 HB2 GLN 15 3.241 -7.691 -7.691
109 2HB GLN 15 HB1 GLN 15 1.798 -8.002 -8.002
110 1HG GLN 15 HG2 GLN 15 3.022 -10.021 -10.021
111 2HG GLN 15 HG1 GLN 15 3.391 -9.200 -9.200
112 1HE2 GLN 15 HE22 GLN 15 6.836 -9.048 -9.048
113 2HE2 GLN 15 HE21 GLN 15 5.585 -8.909 -8.909
114 H ASN 16 HN ASN 16 2.288 -5.742 -5.742
115 HA ASN 16 HA ASN 16 0.656 -3.671 -3.671
116 1HB ASN 16 HB2 ASN 16 1.507 -4.231 -4.231
117 2HB ASN 16 HB1 ASN 16 -0.054 -5.046 -5.046
118 1HD2 ASN 16 HD22 ASN 16 -1.134 -1.776 -1.776
119 2HD2 ASN 16 HD21 ASN 16 -0.620 -3.283 -3.283
120 H CYS 17 HN CYS 17 -0.990 -4.072 -4.072
121 HA CYS 17 HA CYS 17 -2.514 -6.530 -6.530
122 1HB CYS 17 HB2 CYS 17 -2.024 -5.249 -5.249
123 2HB CYS 17 HB1 CYS 17 -3.092 -3.973 -3.973
124 H GLY 18 HN GLY 18 -2.744 -3.366 -3.366
125 1HA GLY 18 HA2 GLY 18 -4.900 -4.125 -4.125
126 2HA GLY 18 HA1 GLY 18 -5.501 -3.096 -3.096
127 H PHE 19 HN PHE 19 -5.845 -1.886 -1.886
128 HA PHE 19 HA PHE 19 -3.577 -0.551 -0.551
129 1HB PHE 19 HB2 PHE 19 -5.340 1.070 1.070
130 2HB PHE 19 HB1 PHE 19 -5.511 -0.617 -0.617
131 HD1 PHE 19 HD2 PHE 19 -7.182 -2.079 -2.079
132 HD2 PHE 19 HD1 PHE 19 -7.043 2.189 2.189
133 HE1 PHE 19 HE2 PHE 19 -9.484 -2.107 -2.107
134 HE2 PHE 19 HE1 PHE 19 -9.353 2.157 2.157
135 HZ PHE 19 HZ PHE 19 -10.569 0.009 0.009
136 HA PRO 20 HA PRO 20 -2.962 2.754 2.754
137 1HB PRO 20 HB2 PRO 20 -2.324 4.836 4.836
138 2HB PRO 20 HB1 PRO 20 -1.212 3.584 3.584
139 1HG PRO 20 HG2 PRO 20 -2.234 3.978 3.978
140 2HG PRO 20 HG1 PRO 20 -1.094 2.750 2.750
141 1HD PRO 20 HD2 PRO 20 -3.951 2.485 2.485
142 2HD PRO 20 HD1 PRO 20 -2.730 1.218 1.218
143 H GLY 21 HN GLY 21 -5.187 3.515 3.515
144 1HA GLY 21 HA2 GLY 21 -6.222 5.946 5.946
145 2HA GLY 21 HA1 GLY 21 -7.099 4.820 4.820
146 H VAL 22 HN VAL 22 -6.339 2.856 2.856
147 HA VAL 22 HA VAL 22 -8.940 2.797 2.797
148 HB VAL 22 HB VAL 22 -7.899 1.384 1.384
149 1HG1 VAL 22 HG11 VAL 22 -8.573 0.480 0.480
150 2HG1 VAL 22 HG13 VAL 22 -6.912 0.710 0.710
151 3HG1 VAL 22 HG12 VAL 22 -7.266 -0.424 -0.424
152 1HG2 VAL 22 HG22 VAL 22 -5.426 2.489 2.489
153 2HG2 VAL 22 HG21 VAL 22 -5.761 2.182 2.182
154 3HG2 VAL 22 HG23 VAL 22 -5.386 0.841 0.841
155 H THR 23 HN THR 23 -8.818 2.806 2.806
156 HA THR 23 HA THR 23 -7.576 5.307 5.307
157 HB THR 23 HB THR 23 -9.823 6.056 6.056
158 HG1 THR 23 HG1 THR 23 -11.070 4.629 4.629
159 1HG2 THR 23 HG21 THR 23 -8.663 6.931 6.931
160 2HG2 THR 23 HG23 THR 23 -9.791 5.922 5.922
161 3HG2 THR 23 HG22 THR 23 -10.398 7.221 7.221
162 HA PRO 24 HA PRO 24 -6.818 3.560 3.560
163 1HB PRO 24 HB2 PRO 24 -8.825 5.282 5.282
164 2HB PRO 24 HB1 PRO 24 -7.071 5.239 5.239
165 1HG PRO 24 HG2 PRO 24 -8.629 7.061 7.061
166 2HG PRO 24 HG1 PRO 24 -6.888 7.080 7.080
167 1HD PRO 24 HD2 PRO 24 -7.999 6.571 6.571
168 2HD PRO 24 HD1 PRO 24 -6.386 6.021 6.021
169 H SER 25 HN SER 25 -10.262 4.115 4.115
170 HA SER 25 HA SER 25 -11.233 2.139 2.139
171 1HB SER 25 HB2 SER 25 -12.536 4.131 4.131
172 2HB SER 25 HB1 SER 25 -12.687 3.209 3.209
173 HG SER 25 HG SER 25 -13.277 1.802 1.802
174 H GLN 26 HN GLN 26 -10.774 2.232 2.232
175 HA GLN 26 HA GLN 26 -11.695 -0.391 -0.391
176 1HB GLN 26 HB2 GLN 26 -9.939 1.570 1.570
177 2HB GLN 26 HB1 GLN 26 -9.946 -0.101 -0.101
178 1HG GLN 26 HG2 GLN 26 -12.608 1.100 1.100
179 2HG GLN 26 HG1 GLN 26 -11.740 1.740 1.740
180 1HE2 GLN 26 HE22 GLN 26 -12.046 -1.251 -1.251
181 2HE2 GLN 26 HE21 GLN 26 -11.257 0.246 0.246
182 H CYS 27 HN CYS 27 -8.400 0.839 0.839
183 HA CYS 27 HA CYS 27 -7.098 -1.675 -1.675
184 1HB CYS 27 HB2 CYS 27 -6.074 0.701 0.701
185 2HB CYS 27 HB1 CYS 27 -6.222 0.487 0.487
186 H ALA 28 HN ALA 28 -8.847 -0.105 -0.105
187 HA ALA 28 HA ALA 28 -8.060 -2.181 -2.181
188 1HB ALA 28 HB2 ALA 28 -9.910 0.204 0.204
189 2HB ALA 28 HB1 ALA 28 -9.740 -0.950 -0.950
190 3HB ALA 28 HB3 ALA 28 -8.348 -0.004 -0.004
191 H ASN 29 HN ASN 29 -10.311 -1.976 -1.976
192 HA ASN 29 HA ASN 29 -12.604 -3.170 -3.170
193 1HB ASN 29 HB2 ASN 29 -12.365 -2.065 -2.065
194 2HB ASN 29 HB1 ASN 29 -11.725 -3.621 -3.621
195 1HD2 ASN 29 HD22 ASN 29 -15.708 -3.191 -3.191
196 2HD2 ASN 29 HD21 ASN 29 -14.635 -1.889 -1.889
197 H LYS 30 HN LYS 30 -9.571 -4.500 -4.500
198 HA LYS 30 HA LYS 30 -10.592 -7.225 -7.225
199 1HB LYS 30 HB2 LYS 30 -8.435 -6.119 -6.119
200 2HB LYS 30 HB1 LYS 30 -8.328 -7.786 -7.786
201 1HG LYS 30 HG2 LYS 30 -10.578 -8.243 -8.243
202 2HG LYS 30 HG1 LYS 30 -10.687 -6.576 -6.576
203 1HD LYS 30 HD2 LYS 30 -8.400 -8.359 -8.359
204 2HD LYS 30 HD1 LYS 30 -9.931 -8.369 -8.369
205 1HE LYS 30 HE2 LYS 30 -8.476 -5.790 -5.790
206 2HE LYS 30 HE1 LYS 30 -8.095 -6.757 -6.757
207 1HZ LYS 30 HZ1 LYS 30 -10.783 -6.659 -6.659
208 2HZ LYS 30 HZ3 LYS 30 -10.349 -5.107 -5.107
209 3HZ LYS 30 HZ2 LYS 30 -9.754 -5.695 -5.695
210 H GLY 31 HN GLY 31 -7.918 -4.958 -4.958
211 1HA GLY 31 HA2 GLY 31 -7.244 -5.035 -5.035
212 2HA GLY 31 HA1 GLY 31 -7.097 -6.777 -6.777
213 H CYS 32 HN CYS 32 -6.155 -4.527 -4.527
214 HA CYS 32 HA CYS 32 -3.404 -5.530 -5.530
215 1HB CYS 32 HB2 CYS 32 -5.036 -4.158 -4.158
216 2HB CYS 32 HB1 CYS 32 -3.286 -3.940 -3.940
217 H CYS 33 HN CYS 33 -1.587 -4.126 -4.126
218 HA CYS 33 HA CYS 33 -2.089 -1.860 -1.860
219 1HB CYS 33 HB2 CYS 33 0.481 -2.631 -2.631
220 2HB CYS 33 HB1 CYS 33 0.329 -1.576 -1.576
221 H PHE 34 HN PHE 34 -2.065 0.344 0.344
222 HA PHE 34 HA PHE 34 -1.727 0.980 0.980
223 1HB PHE 34 HB2 PHE 34 -4.080 1.184 1.184
224 2HB PHE 34 HB1 PHE 34 -3.493 2.432 2.432
225 HD1 PHE 34 HD1 PHE 34 -2.701 4.598 4.598
226 HD2 PHE 34 HD2 PHE 34 -4.231 1.582 1.582
227 HE1 PHE 34 HE1 PHE 34 -2.893 6.283 6.283
228 HE2 PHE 34 HE2 PHE 34 -4.423 3.266 3.266
229 HZ PHE 34 HZ PHE 34 -3.753 5.617 5.617
230 H ASP 35 HN ASP 35 0.060 2.228 2.228
231 HA ASP 35 HA ASP 35 0.787 4.201 4.201
232 1HB ASP 35 HB2 ASP 35 2.231 2.048 2.048
233 2HB ASP 35 HB1 ASP 35 2.863 2.703 2.703
234 H ASP 36 HN ASP 36 0.742 6.214 6.214
235 HA ASP 36 HA ASP 36 1.369 6.432 6.432
236 1HB ASP 36 HB2 ASP 36 -0.043 8.502 8.502
237 2HB ASP 36 HB1 ASP 36 -0.948 7.032 7.032
238 H THR 37 HN THR 37 3.678 6.568 6.568
239 HA THR 37 HA THR 37 4.280 9.244 9.244
240 HB THR 37 HB THR 37 6.405 8.258 8.258
241 HG1 THR 37 HG1 THR 37 5.393 6.103 6.103
242 1HG2 THR 37 HG23 THR 37 3.814 6.929 6.929
243 2HG2 THR 37 HG22 THR 37 5.325 6.454 6.454
244 3HG2 THR 37 HG21 THR 37 4.753 8.118 8.118
245 H VAL 38 HN VAL 38 5.163 6.838 6.838
246 HA VAL 38 HA VAL 38 6.649 8.999 8.999
247 HB VAL 38 HB VAL 38 7.034 6.003 6.003
248 1HG1 VAL 38 HG11 VAL 38 7.625 7.356 7.356
249 2HG1 VAL 38 HG13 VAL 38 8.682 8.348 8.348
250 3HG1 VAL 38 HG12 VAL 38 9.051 6.642 6.642
251 1HG2 VAL 38 HG23 VAL 38 7.699 6.937 6.937
252 2HG2 VAL 38 HG22 VAL 38 9.057 6.299 6.299
253 3HG2 VAL 38 HG21 VAL 38 8.792 8.039 8.039
254 H ARG 39 HN ARG 39 6.266 9.227 9.227
255 HA ARG 39 HA ARG 39 3.675 8.123 8.123
256 1HB ARG 39 HB2 ARG 39 5.379 10.449 10.449
257 2HB ARG 39 HB1 ARG 39 4.315 9.755 9.755
258 1HG ARG 39 HG2 ARG 39 2.394 10.363 10.363
259 2HG ARG 39 HG1 ARG 39 3.161 10.253 10.253
260 1HD ARG 39 HD2 ARG 39 2.813 12.584 12.584
261 2HD ARG 39 HD1 ARG 39 4.530 12.300 12.300
262 HE ARG 39 HE ARG 39 3.181 11.979 11.979
263 1HH1 ARG 39 HH21 ARG 39 3.942 14.444 14.444
264 2HH1 ARG 39 HH22 ARG 39 3.957 15.729 15.729
265 1HH2 ARG 39 HH11 ARG 39 3.207 13.678 13.678
266 2HH2 ARG 39 HH12 ARG 39 3.542 15.295 15.295
267 H GLY 40 HN GLY 40 3.746 7.795 7.795
268 1HA GLY 40 HA2 GLY 40 4.474 6.430 6.430
269 2HA GLY 40 HA1 GLY 40 6.111 6.727 6.727
270 H VAL 41 HN VAL 41 4.232 5.514 5.514
271 HA VAL 41 HA VAL 41 4.993 2.718 2.718
272 HB VAL 41 HB VAL 41 5.612 2.464 2.464
273 1HG1 VAL 41 HG13 VAL 41 7.057 4.433 4.433
274 2HG1 VAL 41 HG12 VAL 41 7.710 3.969 3.969
275 3HG1 VAL 41 HG11 VAL 41 7.459 2.747 2.747
276 1HG2 VAL 41 HG23 VAL 41 4.212 4.578 4.578
277 2HG2 VAL 41 HG22 VAL 41 5.729 4.313 4.313
278 3HG2 VAL 41 HG21 VAL 41 5.658 5.476 5.476
279 HA PRO 42 HA PRO 42 0.945 1.744 1.744
280 1HB PRO 42 HB2 PRO 42 1.472 -0.810 -0.810
281 2HB PRO 42 HB1 PRO 42 1.169 -0.403 -0.403
282 1HG PRO 42 HG2 PRO 42 3.590 -1.343 -1.343
283 2HG PRO 42 HG1 PRO 42 3.299 -0.886 -0.886
284 1HD PRO 42 HD2 PRO 42 4.592 0.664 0.664
285 2HD PRO 42 HD1 PRO 42 4.741 0.837 0.837
286 H TRP 43 HN TRP 43 -0.152 2.284 2.284
287 HA TRP 43 HA TRP 43 1.372 2.371 2.371
288 1HB TRP 43 HB2 TRP 43 -1.452 3.322 3.322
289 2HB TRP 43 HB1 TRP 43 -0.459 3.728 3.728
290 HD1 TRP 43 HD1 TRP 43 2.255 4.422 4.422
291 HE1 TRP 43 HE1 TRP 43 2.470 6.524 6.524
292 HE3 TRP 43 HE3 TRP 43 -2.661 5.204 5.204
293 HZ2 TRP 43 HZ2 TRP 43 0.783 8.303 8.303
294 HZ3 TRP 43 HZ3 TRP 43 -3.328 7.109 7.109
295 HH2 TRP 43 HH2 TRP 43 -1.613 8.657 8.657
296 H CYS 44 HN CYS 44 -1.723 1.006 1.006
297 HA CYS 44 HA CYS 44 -2.166 -0.475 -0.475
298 1HB CYS 44 HB2 CYS 44 -3.976 0.365 0.365
299 2HB CYS 44 HB1 CYS 44 -3.486 -0.918 -0.918
300 H PHE 45 HN PHE 45 -0.734 -2.122 -2.122
301 HA PHE 45 HA PHE 45 -0.377 -4.174 -4.174
302 1HB PHE 45 HB2 PHE 45 2.053 -4.381 -4.381
303 2HB PHE 45 HB1 PHE 45 1.681 -3.020 -3.020
304 HD1 PHE 45 HD2 PHE 45 1.715 -3.896 -3.896
305 HD2 PHE 45 HD1 PHE 45 2.371 -0.893 -0.893
306 HE1 PHE 45 HE2 PHE 45 2.514 -2.330 -2.330
307 HE2 PHE 45 HE1 PHE 45 3.168 0.677 0.677
308 HZ PHE 45 HZ PHE 45 3.237 -0.043 -0.043
309 H TYR 46 HN TYR 46 1.041 -6.073 -6.073
310 HA TYR 46 HA TYR 46 -0.723 -6.756 -6.756
311 1HB TYR 46 HB2 TYR 46 1.181 -8.271 -8.271
312 2HB TYR 46 HB1 TYR 46 0.693 -8.956 -8.956
313 HD1 TYR 46 HD2 TYR 46 -1.778 -9.243 -9.243
314 HD2 TYR 46 HD1 TYR 46 -0.292 -8.280 -8.280
315 HE1 TYR 46 HE2 TYR 46 -3.927 -9.975 -9.975
316 HE2 TYR 46 HE1 TYR 46 -2.443 -9.012 -9.012
317 HH TYR 46 HH TYR 46 -4.642 -10.877 -10.877
318 HA PRO 47 HA PRO 47 2.469 -6.192 -6.192
319 1HB PRO 47 HB2 PRO 47 1.478 -7.943 -7.943
320 2HB PRO 47 HB1 PRO 47 0.844 -6.320 -6.320
321 1HG PRO 47 HG2 PRO 47 -0.436 -8.834 -8.834
322 2HG PRO 47 HG1 PRO 47 -1.069 -7.208 -7.208
323 1HD PRO 47 HD2 PRO 47 0.123 -9.125 -9.125
324 2HD PRO 47 HD1 PRO 47 -0.955 -7.748 -7.748
325 H ASN 48 HN ASN 48 3.989 -7.509 -7.509
326 HA ASN 48 HA ASN 48 4.606 -10.190 -10.190
327 1HB ASN 48 HB2 ASN 48 6.408 -7.778 -7.778
328 2HB ASN 48 HB1 ASN 48 7.092 -9.399 -9.399
329 1HD2 ASN 48 HD22 ASN 48 5.637 -8.138 -8.138
330 2HD2 ASN 48 HD21 ASN 48 5.656 -7.124 -7.124
331 H THR 49 HN THR 49 3.833 -10.908 -10.908
332 HA THR 49 HA THR 49 4.903 -9.890 -9.890
333 HB THR 49 HB THR 49 4.007 -12.045 -12.045
334 HG1 THR 49 HG1 THR 49 2.684 -13.169 -13.169
335 1HG2 THR 49 HG21 THR 49 2.665 -9.868 -9.868
336 2HG2 THR 49 HG23 THR 49 1.937 -10.913 -10.913
337 3HG2 THR 49 HG22 THR 49 1.799 -11.322 -11.322
338 H ILE 50 HN ILE 50 6.833 -10.354 -10.354
339 HA ILE 50 HA ILE 50 8.445 -12.563 -12.563
340 HB ILE 50 HB ILE 50 9.453 -10.005 -10.005
341 1HG1 ILE 50 HG12 ILE 50 9.558 -10.766 -10.766
342 2HG1 ILE 50 HG11 ILE 50 8.252 -9.788 -9.788
343 1HG2 ILE 50 HG23 ILE 50 10.879 -12.122 -12.122
344 2HG2 ILE 50 HG22 ILE 50 10.956 -12.038 -12.038
345 3HG2 ILE 50 HG21 ILE 50 11.626 -10.730 -10.730
346 1HD1 ILE 50 HD13 ILE 50 11.175 -9.078 -9.078
347 2HD1 ILE 50 HD12 ILE 50 10.193 -8.475 -8.475
348 3HD1 ILE 50 HD11 ILE 50 9.773 -8.059 -8.059
349 H ASP 51 HN ASP 51 9.384 -14.012 -14.012
350 HA ASP 51 HA ASP 51 9.168 -13.405 -13.405
351 1HB ASP 51 HB2 ASP 51 8.203 -15.680 -15.680
352 2HB ASP 51 HB1 ASP 51 7.111 -14.614 -14.614
353 H VAL 52 HN VAL 52 10.407 -15.114 -15.114
354 HA VAL 52 HA VAL 52 12.997 -15.481 -15.481
355 HB VAL 52 HB VAL 52 13.456 -16.746 -16.746
356 1HG1 VAL 52 HG13 VAL 52 13.328 -14.140 -14.140
357 2HG1 VAL 52 HG12 VAL 52 11.889 -14.286 -14.286
358 3HG1 VAL 52 HG11 VAL 52 13.452 -14.828 -14.828
359 1HG2 VAL 52 HG23 VAL 52 10.468 -16.424 -16.424
360 2HG2 VAL 52 HG22 VAL 52 11.452 -17.862 -17.862
361 3HG2 VAL 52 HG21 VAL 52 11.477 -16.539 -16.539
362 HA PRO 53 HA PRO 53 11.807 -19.497 -19.497
363 1HB PRO 53 HB2 PRO 53 13.575 -19.322 -19.322
364 2HB PRO 53 HB1 PRO 53 11.962 -18.592 -18.592
365 1HG PRO 53 HG2 PRO 53 14.517 -17.276 -17.276
366 2HG PRO 53 HG1 PRO 53 12.903 -16.553 -16.553
367 1HD PRO 53 HD2 PRO 53 14.679 -16.874 -16.874
368 2HD PRO 53 HD1 PRO 53 13.316 -15.763 -15.763
369 HA PRO 54 HA PRO 54 15.383 -21.993 -21.993
370 1HB PRO 54 HB2 PRO 54 14.956 -24.165 -24.165
371 2HB PRO 54 HB1 PRO 54 14.037 -23.834 -23.834
372 1HG PRO 54 HG2 PRO 54 13.109 -23.787 -23.787
373 2HG PRO 54 HG1 PRO 54 12.192 -23.466 -23.466
374 1HD PRO 54 HD2 PRO 54 13.391 -21.547 -21.547
375 2HD PRO 54 HD1 PRO 54 12.058 -21.312 -21.312
376 H GLU 55 HN GLU 55 14.947 -22.224 -22.224
377 HA GLU 55 HA GLU 55 17.812 -21.562 -21.562
378 1HB GLU 55 HB2 GLU 55 16.375 -24.018 -24.018
379 2HB GLU 55 HB1 GLU 55 17.609 -23.332 -23.332
380 1HG GLU 55 HG2 GLU 55 19.294 -24.034 -24.034
381 2HG GLU 55 HG1 GLU 55 18.485 -23.457 -23.457
382 H GLU 56 HN GLU 56 17.492 -19.542 -19.542
383 HA GLU 56 HA GLU 56 15.449 -19.240 -19.240
384 1HB GLU 56 HB2 GLU 56 16.235 -16.865 -16.865
385 2HB GLU 56 HB1 GLU 56 15.716 -17.413 -17.413
386 1HG GLU 56 HG2 GLU 56 17.728 -16.795 -16.795
387 2HG GLU 56 HG1 GLU 56 18.456 -18.080 -18.080
388 H GLU 57 HN GLU 57 16.021 -20.084 -20.084
389 HA GLU 57 HA GLU 57 18.520 -19.111 -19.111
390 1HB GLU 57 HB2 GLU 57 17.928 -21.935 -21.935
391 2HB GLU 57 HB1 GLU 57 18.615 -21.661 -21.661
392 1HG GLU 57 HG2 GLU 57 20.607 -20.836 -20.836
393 2HG GLU 57 HG1 GLU 57 19.858 -20.252 -20.252
394 H SER 58 HN SER 58 18.204 -18.613 -18.613
395 HA SER 58 HA SER 58 15.871 -19.820 -19.820
396 1HB SER 58 HB2 SER 58 16.539 -16.868 -16.868
397 2HB SER 58 HB1 SER 58 15.336 -17.571 -17.571
398 HG SER 58 HG SER 58 14.868 -18.509 -18.509
399 H GLU 59 HN GLU 59 15.991 -19.178 -19.178
400 HA GLU 59 HA GLU 59 18.774 -19.665 -19.665
401 1HB GLU 59 HB2 GLU 59 16.831 -21.107 -21.107
402 2HB GLU 59 HB1 GLU 59 16.283 -19.703 -19.703
403 1HG GLU 59 HG2 GLU 59 19.133 -20.609 -20.609
404 2HG GLU 59 HG1 GLU 59 17.868 -21.465 -21.465
405 H PHE 60 HN PHE 60 19.971 -17.929 -17.929
406 HA PHE 60 HA PHE 60 18.529 -15.497 -15.497
407 1HB PHE 60 HB2 PHE 60 21.222 -16.066 -16.066
408 2HB PHE 60 HB1 PHE 60 21.046 -14.648 -14.648
409 HD1 PHE 60 HD1 PHE 60 19.112 -16.365 -16.365
410 HD2 PHE 60 HD2 PHE 60 20.507 -12.658 -12.658
411 HE1 PHE 60 HE1 PHE 60 18.052 -15.128 -15.128
412 HE2 PHE 60 HE2 PHE 60 19.447 -11.421 -11.421
413 HZ PHE 60 HZ PHE 60 18.221 -12.656 -12.656
Start of MODEL 4
1 1H GLU 1 HT2 GLU 1 7.109 -15.293 -15.293
2 2H GLU 1 HT1 GLU 1 5.576 -15.911 -15.911
3 3H GLU 1 HT3 GLU 1 6.645 -16.837 -16.837
4 HA GLU 1 HA GLU 1 5.590 -16.058 -16.058
5 1HB GLU 1 HB2 GLU 1 4.064 -14.091 -14.091
6 2HB GLU 1 HB1 GLU 1 3.716 -15.321 -15.321
7 1HG GLU 1 HG2 GLU 1 5.491 -13.845 -13.845
8 2HG GLU 1 HG1 GLU 1 4.840 -12.585 -12.585
9 H ALA 2 HN ALA 2 6.167 -14.609 -14.609
10 HA ALA 2 HA ALA 2 7.811 -12.280 -12.280
11 1HB ALA 2 HB2 ALA 2 9.287 -14.421 -14.421
12 2HB ALA 2 HB1 ALA 2 9.041 -14.408 -14.408
13 3HB ALA 2 HB3 ALA 2 9.823 -13.040 -13.040
14 H GLN 3 HN GLN 3 5.258 -12.668 -12.668
15 HA GLN 3 HA GLN 3 5.794 -12.500 -12.500
16 1HB GLN 3 HB2 GLN 3 3.232 -12.036 -12.036
17 2HB GLN 3 HB1 GLN 3 3.366 -12.207 -12.207
18 1HG GLN 3 HG2 GLN 3 2.841 -14.388 -14.388
19 2HG GLN 3 HG1 GLN 3 4.597 -14.474 -14.474
20 1HE2 GLN 3 HE22 GLN 3 4.167 -15.631 -15.631
21 2HE2 GLN 3 HE21 GLN 3 4.852 -15.893 -15.893
22 H THR 4 HN THR 4 6.617 -10.606 -10.606
23 HA THR 4 HA THR 4 5.765 -8.087 -8.087
24 HB THR 4 HB THR 4 7.779 -7.101 -7.101
25 HG1 THR 4 HG1 THR 4 8.289 -9.770 -9.770
26 1HG2 THR 4 HG23 THR 4 8.184 -9.612 -9.612
27 2HG2 THR 4 HG22 THR 4 9.469 -8.448 -8.448
28 3HG2 THR 4 HG21 THR 4 8.047 -7.956 -7.956
29 H GLU 5 HN GLU 5 4.590 -6.617 -6.617
30 HA GLU 5 HA GLU 5 3.751 -7.407 -7.407
31 1HB GLU 5 HB2 GLU 5 2.984 -5.099 -5.099
32 2HB GLU 5 HB1 GLU 5 2.291 -5.366 -5.366
33 1HG GLU 5 HG2 GLU 5 1.576 -7.646 -7.646
34 2HG GLU 5 HG1 GLU 5 2.152 -7.257 -7.257
35 H THR 6 HN THR 6 4.525 -6.476 -6.476
36 HA THR 6 HA THR 6 5.941 -3.913 -3.913
37 HB THR 6 HB THR 6 7.310 -6.295 -6.295
38 HG1 THR 6 HG1 THR 6 7.374 -5.311 -5.311
39 1HG2 THR 6 HG21 THR 6 8.150 -3.511 -3.511
40 2HG2 THR 6 HG23 THR 6 9.300 -4.770 -4.770
41 3HG2 THR 6 HG22 THR 6 8.126 -4.185 -4.185
42 H CYS 7 HN CYS 7 4.956 -2.760 -2.760
43 HA CYS 7 HA CYS 7 4.253 -4.201 -4.201
44 1HB CYS 7 HB2 CYS 7 3.174 -1.616 -1.616
45 2HB CYS 7 HB1 CYS 7 2.725 -2.264 -2.264
46 H THR 8 HN THR 8 6.336 -1.797 -1.797
47 HA THR 8 HA THR 8 6.814 -0.265 -0.265
48 HB THR 8 HB THR 8 7.384 0.633 0.633
49 HG1 THR 8 HG1 THR 8 9.706 1.001 1.001
50 1HG2 THR 8 HG22 THR 8 8.072 -1.811 -1.811
51 2HG2 THR 8 HG21 THR 8 9.676 -1.274 -1.274
52 3HG2 THR 8 HG23 THR 8 8.803 -0.395 -0.395
53 H VAL 9 HN VAL 9 7.547 -1.307 -1.307
54 HA VAL 9 HA VAL 9 9.930 -3.041 -3.041
55 HB VAL 9 HB VAL 9 7.631 -3.573 -3.573
56 1HG1 VAL 9 HG13 VAL 9 10.254 -4.911 -4.911
57 2HG1 VAL 9 HG12 VAL 9 8.897 -5.863 -5.863
58 3HG1 VAL 9 HG11 VAL 9 9.544 -4.540 -4.540
59 1HG2 VAL 9 HG21 VAL 9 8.191 -4.459 -4.459
60 2HG2 VAL 9 HG23 VAL 9 6.644 -4.237 -4.237
61 3HG2 VAL 9 HG22 VAL 9 7.605 -5.684 -5.684
62 H ALA 10 HN ALA 10 10.965 -3.375 -3.375
63 HA ALA 10 HA ALA 10 11.587 -0.780 -0.780
64 1HB ALA 10 HB3 ALA 10 12.175 -3.567 -3.567
65 2HB ALA 10 HB2 ALA 10 12.793 -2.110 -2.110
66 3HB ALA 10 HB1 ALA 10 13.263 -2.495 -2.495
67 HA PRO 11 HA PRO 11 7.935 0.026 0.026
68 1HB PRO 11 HB2 PRO 11 9.828 1.227 1.227
69 2HB PRO 11 HB1 PRO 11 8.480 1.972 1.972
70 1HG PRO 11 HG2 PRO 11 11.254 2.133 2.133
71 2HG PRO 11 HG1 PRO 11 9.900 2.841 2.841
72 1HD PRO 11 HD2 PRO 11 11.556 0.787 0.787
73 2HD PRO 11 HD1 PRO 11 9.981 1.228 1.228
74 H ARG 12 HN ARG 12 10.954 -1.341 -1.341
75 HA ARG 12 HA ARG 12 9.668 -2.300 -2.300
76 1HB ARG 12 HB2 ARG 12 11.831 -3.494 -3.494
77 2HB ARG 12 HB1 ARG 12 12.049 -1.771 -1.771
78 1HG ARG 12 HG2 ARG 12 12.211 -2.573 -2.573
79 2HG ARG 12 HG1 ARG 12 12.662 -4.107 -4.107
80 1HD ARG 12 HD2 ARG 12 14.389 -2.850 -2.850
81 2HD ARG 12 HD1 ARG 12 14.021 -1.424 -1.424
82 HE ARG 12 HE ARG 12 14.729 -3.840 -3.840
83 1HH1 ARG 12 HH11 ARG 12 15.719 -0.802 -0.802
84 2HH1 ARG 12 HH12 ARG 12 17.124 -0.650 -0.650
85 1HH2 ARG 12 HH21 ARG 12 16.576 -3.620 -3.620
86 2HH2 ARG 12 HH22 ARG 12 17.606 -2.239 -2.239
87 H GLU 13 HN GLU 13 10.853 -3.812 -3.812
88 HA GLU 13 HA GLU 13 9.746 -6.389 -6.389
89 1HB GLU 13 HB2 GLU 13 11.150 -5.330 -5.330
90 2HB GLU 13 HB1 GLU 13 10.418 -6.936 -6.936
91 1HG GLU 13 HG2 GLU 13 12.250 -6.127 -6.127
92 2HG GLU 13 HG1 GLU 13 12.941 -6.642 -6.642
93 H ARG 14 HN ARG 14 7.772 -4.327 -4.327
94 HA ARG 14 HA ARG 14 6.245 -4.877 -4.877
95 1HB ARG 14 HB2 ARG 14 6.172 -2.696 -2.696
96 2HB ARG 14 HB1 ARG 14 4.756 -3.011 -3.011
97 1HG ARG 14 HG2 ARG 14 6.445 -2.928 -2.928
98 2HG ARG 14 HG1 ARG 14 7.497 -2.095 -2.095
99 1HD ARG 14 HD2 ARG 14 5.664 -0.462 -0.462
100 2HD ARG 14 HD1 ARG 14 4.695 -1.259 -1.259
101 HE ARG 14 HE ARG 14 6.977 -0.679 -0.679
102 1HH1 ARG 14 HH11 ARG 14 4.904 1.193 1.193
103 2HH1 ARG 14 HH12 ARG 14 5.241 2.694 2.694
104 1HH2 ARG 14 HH21 ARG 14 7.403 1.299 1.299
105 2HH2 ARG 14 HH22 ARG 14 6.649 2.752 2.752
106 H GLN 15 HN GLN 15 4.193 -5.860 -5.860
107 HA GLN 15 HA GLN 15 3.624 -7.243 -7.243
108 1HB GLN 15 HB2 GLN 15 2.299 -7.498 -7.498
109 2HB GLN 15 HB1 GLN 15 2.058 -8.568 -8.568
110 1HG GLN 15 HG2 GLN 15 4.841 -8.111 -8.111
111 2HG GLN 15 HG1 GLN 15 3.780 -9.229 -9.229
112 1HE2 GLN 15 HE22 GLN 15 4.911 -10.164 -10.164
113 2HE2 GLN 15 HE21 GLN 15 4.896 -8.538 -8.538
114 H ASN 16 HN ASN 16 2.376 -6.079 -6.079
115 HA ASN 16 HA ASN 16 0.762 -3.873 -3.873
116 1HB ASN 16 HB2 ASN 16 1.647 -4.676 -4.676
117 2HB ASN 16 HB1 ASN 16 0.151 -5.610 -5.610
118 1HD2 ASN 16 HD22 ASN 16 0.014 -1.673 -1.673
119 2HD2 ASN 16 HD21 ASN 16 1.470 -2.537 -2.537
120 H CYS 17 HN CYS 17 -0.957 -4.014 -4.014
121 HA CYS 17 HA CYS 17 -2.572 -6.451 -6.451
122 1HB CYS 17 HB2 CYS 17 -1.927 -5.186 -5.186
123 2HB CYS 17 HB1 CYS 17 -2.932 -3.851 -3.851
124 H GLY 18 HN GLY 18 -2.604 -3.398 -3.398
125 1HA GLY 18 HA2 GLY 18 -4.815 -3.981 -3.981
126 2HA GLY 18 HA1 GLY 18 -5.418 -3.024 -3.024
127 H PHE 19 HN PHE 19 -5.776 -1.710 -1.710
128 HA PHE 19 HA PHE 19 -3.525 -0.297 -0.297
129 1HB PHE 19 HB2 PHE 19 -5.322 1.335 1.335
130 2HB PHE 19 HB1 PHE 19 -5.454 -0.330 -0.330
131 HD1 PHE 19 HD2 PHE 19 -7.106 -1.882 -1.882
132 HD2 PHE 19 HD1 PHE 19 -7.032 2.340 2.340
133 HE1 PHE 19 HE2 PHE 19 -9.406 -2.014 -2.014
134 HE2 PHE 19 HE1 PHE 19 -9.339 2.204 2.204
135 HZ PHE 19 HZ PHE 19 -10.521 0.028 0.028
136 HA PRO 20 HA PRO 20 -2.975 2.895 2.895
137 1HB PRO 20 HB2 PRO 20 -2.388 5.065 5.065
138 2HB PRO 20 HB1 PRO 20 -1.248 3.813 3.813
139 1HG PRO 20 HG2 PRO 20 -2.285 4.303 4.303
140 2HG PRO 20 HG1 PRO 20 -1.120 3.073 3.073
141 1HD PRO 20 HD2 PRO 20 -3.974 2.780 2.780
142 2HD PRO 20 HD1 PRO 20 -2.727 1.529 1.529
143 H GLY 21 HN GLY 21 -5.227 3.730 3.730
144 1HA GLY 21 HA2 GLY 21 -6.304 6.100 6.100
145 2HA GLY 21 HA1 GLY 21 -7.178 4.979 4.979
146 H VAL 22 HN VAL 22 -6.374 2.943 2.943
147 HA VAL 22 HA VAL 22 -8.944 2.861 2.861
148 HB VAL 22 HB VAL 22 -7.839 1.380 1.380
149 1HG1 VAL 22 HG12 VAL 22 -8.653 0.598 0.598
150 2HG1 VAL 22 HG11 VAL 22 -6.985 0.732 0.732
151 3HG1 VAL 22 HG13 VAL 22 -7.394 -0.403 -0.403
152 1HG2 VAL 22 HG22 VAL 22 -5.395 2.325 2.325
153 2HG2 VAL 22 HG21 VAL 22 -5.666 2.299 2.299
154 3HG2 VAL 22 HG23 VAL 22 -5.406 0.790 0.790
155 H THR 23 HN THR 23 -9.269 3.080 3.080
156 HA THR 23 HA THR 23 -7.799 5.456 5.456
157 HB THR 23 HB THR 23 -9.991 6.150 6.150
158 HG1 THR 23 HG1 THR 23 -11.810 5.170 5.170
159 1HG2 THR 23 HG22 THR 23 -9.913 5.946 5.946
160 2HG2 THR 23 HG21 THR 23 -10.915 7.067 7.067
161 3HG2 THR 23 HG23 THR 23 -9.160 7.213 7.213
162 HA PRO 24 HA PRO 24 -6.756 3.592 3.592
163 1HB PRO 24 HB2 PRO 24 -8.613 5.316 5.316
164 2HB PRO 24 HB1 PRO 24 -6.846 5.253 5.253
165 1HG PRO 24 HG2 PRO 24 -8.524 7.118 7.118
166 2HG PRO 24 HG1 PRO 24 -6.763 7.121 7.121
167 1HD PRO 24 HD2 PRO 24 -8.093 6.668 6.668
168 2HD PRO 24 HD1 PRO 24 -6.442 6.113 6.113
169 H SER 25 HN SER 25 -10.239 4.260 4.260
170 HA SER 25 HA SER 25 -11.170 2.340 2.340
171 1HB SER 25 HB2 SER 25 -12.409 3.827 3.827
172 2HB SER 25 HB1 SER 25 -13.300 2.533 2.533
173 HG SER 25 HG SER 25 -13.669 4.603 4.603
174 H GLN 26 HN GLN 26 -10.774 2.240 2.240
175 HA GLN 26 HA GLN 26 -11.703 -0.406 -0.406
176 1HB GLN 26 HB2 GLN 26 -9.874 1.397 1.397
177 2HB GLN 26 HB1 GLN 26 -10.128 -0.274 -0.274
178 1HG GLN 26 HG2 GLN 26 -12.554 1.327 1.327
179 2HG GLN 26 HG1 GLN 26 -11.719 1.716 1.716
180 1HE2 GLN 26 HE22 GLN 26 -12.969 -1.116 -1.116
181 2HE2 GLN 26 HE21 GLN 26 -12.211 0.400 0.400
182 H CYS 27 HN CYS 27 -8.337 0.835 0.835
183 HA CYS 27 HA CYS 27 -7.130 -1.741 -1.741
184 1HB CYS 27 HB2 CYS 27 -6.048 0.621 0.621
185 2HB CYS 27 HB1 CYS 27 -6.014 0.593 0.593
186 H ALA 28 HN ALA 28 -8.762 0.128 0.128
187 HA ALA 28 HA ALA 28 -7.770 -1.594 -1.594
188 1HB ALA 28 HB3 ALA 28 -9.724 0.710 0.710
189 2HB ALA 28 HB2 ALA 28 -9.448 -0.228 -0.228
190 3HB ALA 28 HB1 ALA 28 -8.122 0.680 0.680
191 H ASN 29 HN ASN 29 -10.211 -1.780 -1.780
192 HA ASN 29 HA ASN 29 -12.070 -3.282 -3.282
193 1HB ASN 29 HB2 ASN 29 -12.870 -1.679 -1.679
194 2HB ASN 29 HB1 ASN 29 -12.205 -2.784 -2.784
195 1HD2 ASN 29 HD22 ASN 29 -15.759 -3.633 -3.633
196 2HD2 ASN 29 HD21 ASN 29 -14.920 -2.198 -2.198
197 H LYS 30 HN LYS 30 -9.546 -3.800 -3.800
198 HA LYS 30 HA LYS 30 -10.260 -6.626 -6.626
199 1HB LYS 30 HB2 LYS 30 -9.089 -4.829 -4.829
200 2HB LYS 30 HB1 LYS 30 -7.678 -5.682 -5.682
201 1HG LYS 30 HG2 LYS 30 -8.279 -7.671 -7.671
202 2HG LYS 30 HG1 LYS 30 -10.004 -7.367 -7.367
203 1HD LYS 30 HD2 LYS 30 -9.669 -7.201 -7.201
204 2HD LYS 30 HD1 LYS 30 -9.682 -5.522 -5.522
205 1HE LYS 30 HE2 LYS 30 -7.047 -6.902 -6.902
206 2HE LYS 30 HE1 LYS 30 -7.727 -6.521 -6.521
207 1HZ LYS 30 HZ1 LYS 30 -8.163 -4.299 -4.299
208 2HZ LYS 30 HZ3 LYS 30 -6.620 -4.802 -4.802
209 3HZ LYS 30 HZ2 LYS 30 -6.935 -4.516 -4.516
210 H GLY 31 HN GLY 31 -7.963 -4.573 -4.573
211 1HA GLY 31 HA2 GLY 31 -6.936 -5.321 -5.321
212 2HA GLY 31 HA1 GLY 31 -7.032 -6.977 -6.977
213 H CYS 32 HN CYS 32 -5.763 -4.013 -4.013
214 HA CYS 32 HA CYS 32 -3.153 -5.418 -5.418
215 1HB CYS 32 HB2 CYS 32 -4.779 -3.936 -3.936
216 2HB CYS 32 HB1 CYS 32 -3.025 -3.804 -3.804
217 H CYS 33 HN CYS 33 -1.289 -4.162 -4.162
218 HA CYS 33 HA CYS 33 -1.608 -1.917 -1.917
219 1HB CYS 33 HB2 CYS 33 0.870 -2.654 -2.654
220 2HB CYS 33 HB1 CYS 33 0.805 -1.694 -1.694
221 H PHE 34 HN PHE 34 -2.379 0.055 0.055
222 HA PHE 34 HA PHE 34 -1.931 0.885 0.885
223 1HB PHE 34 HB2 PHE 34 -4.161 1.149 1.149
224 2HB PHE 34 HB1 PHE 34 -3.390 2.383 2.383
225 HD1 PHE 34 HD2 PHE 34 -3.866 1.436 1.436
226 HD2 PHE 34 HD1 PHE 34 -3.360 4.601 4.601
227 HE1 PHE 34 HE2 PHE 34 -4.218 3.111 3.111
228 HE2 PHE 34 HE1 PHE 34 -3.711 6.277 6.277
229 HZ PHE 34 HZ PHE 34 -4.141 5.531 5.531
230 H ASP 35 HN ASP 35 -0.509 2.530 2.530
231 HA ASP 35 HA ASP 35 0.652 4.225 4.225
232 1HB ASP 35 HB2 ASP 35 2.015 2.055 2.055
233 2HB ASP 35 HB1 ASP 35 2.482 2.635 2.635
234 H ASP 36 HN ASP 36 0.156 6.181 6.181
235 HA ASP 36 HA ASP 36 0.751 6.473 6.473
236 1HB ASP 36 HB2 ASP 36 -0.704 8.507 8.507
237 2HB ASP 36 HB1 ASP 36 -1.555 7.011 7.011
238 H THR 37 HN THR 37 2.991 6.458 6.458
239 HA THR 37 HA THR 37 3.645 9.160 9.160
240 HB THR 37 HB THR 37 5.954 8.103 8.103
241 HG1 THR 37 HG1 THR 37 4.587 6.132 6.132
242 1HG2 THR 37 HG21 THR 37 4.324 8.316 8.316
243 2HG2 THR 37 HG23 THR 37 3.595 6.781 6.781
244 3HG2 THR 37 HG22 THR 37 5.249 6.820 6.820
245 H VAL 38 HN VAL 38 4.822 6.919 6.919
246 HA VAL 38 HA VAL 38 5.787 9.320 9.320
247 HB VAL 38 HB VAL 38 6.722 6.448 6.448
248 1HG1 VAL 38 HG11 VAL 38 6.985 7.853 7.853
249 2HG1 VAL 38 HG13 VAL 38 7.850 9.055 9.055
250 3HG1 VAL 38 HG12 VAL 38 8.547 7.453 7.453
251 1HG2 VAL 38 HG22 VAL 38 7.633 8.748 8.748
252 2HG2 VAL 38 HG21 VAL 38 7.594 7.026 7.026
253 3HG2 VAL 38 HG23 VAL 38 8.851 7.666 7.666
254 H ARG 39 HN ARG 39 5.213 9.524 9.524
255 HA ARG 39 HA ARG 39 2.859 7.967 7.967
256 1HB ARG 39 HB2 ARG 39 2.809 9.566 9.566
257 2HB ARG 39 HB1 ARG 39 2.754 10.363 10.363
258 1HG ARG 39 HG2 ARG 39 5.275 10.618 10.618
259 2HG ARG 39 HG1 ARG 39 5.147 10.074 10.074
260 1HD ARG 39 HD2 ARG 39 4.432 12.102 12.102
261 2HD ARG 39 HD1 ARG 39 3.202 12.166 12.166
262 HE ARG 39 HE ARG 39 5.831 13.380 13.380
263 1HH1 ARG 39 HH21 ARG 39 3.175 12.069 12.069
264 2HH1 ARG 39 HH22 ARG 39 3.542 12.985 12.985
265 1HH2 ARG 39 HH11 ARG 39 6.292 14.569 14.569
266 2HH2 ARG 39 HH12 ARG 39 5.298 14.391 14.391
267 H GLY 40 HN GLY 40 2.890 7.519 7.519
268 1HA GLY 40 HA2 GLY 40 3.937 6.455 6.455
269 2HA GLY 40 HA1 GLY 40 5.479 6.595 6.595
270 H VAL 41 HN VAL 41 5.035 5.322 5.322
271 HA VAL 41 HA VAL 41 4.921 2.542 2.542
272 HB VAL 41 HB VAL 41 5.432 2.124 2.124
273 1HG1 VAL 41 HG12 VAL 41 7.048 4.112 4.112
274 2HG1 VAL 41 HG11 VAL 41 7.605 3.531 3.531
275 3HG1 VAL 41 HG13 VAL 41 7.354 2.392 2.392
276 1HG2 VAL 41 HG22 VAL 41 5.274 5.151 5.151
277 2HG2 VAL 41 HG21 VAL 41 4.171 4.019 4.019
278 3HG2 VAL 41 HG23 VAL 41 5.859 4.096 4.096
279 HA PRO 42 HA PRO 42 0.752 1.735 1.735
280 1HB PRO 42 HB2 PRO 42 1.077 -0.818 -0.818
281 2HB PRO 42 HB1 PRO 42 0.876 -0.441 -0.441
282 1HG PRO 42 HG2 PRO 42 3.186 -1.474 -1.474
283 2HG PRO 42 HG1 PRO 42 2.987 -1.074 -1.074
284 1HD PRO 42 HD2 PRO 42 4.319 0.466 0.466
285 2HD PRO 42 HD1 PRO 42 4.483 0.602 0.602
286 H TRP 43 HN TRP 43 -0.393 2.455 2.455
287 HA TRP 43 HA TRP 43 0.953 2.644 2.644
288 1HB TRP 43 HB2 TRP 43 -1.892 3.398 3.398
289 2HB TRP 43 HB1 TRP 43 -0.979 3.933 3.933
290 HD1 TRP 43 HD1 TRP 43 1.769 4.615 4.615
291 HE1 TRP 43 HE1 TRP 43 1.917 6.686 6.686
292 HE3 TRP 43 HE3 TRP 43 -3.180 5.279 5.279
293 HZ2 TRP 43 HZ2 TRP 43 0.170 8.398 8.398
294 HZ3 TRP 43 HZ3 TRP 43 -3.910 7.136 7.136
295 HH2 TRP 43 HH2 TRP 43 -2.242 8.694 8.694
296 H CYS 44 HN CYS 44 -1.829 0.839 0.839
297 HA CYS 44 HA CYS 44 -2.261 -0.472 -0.472
298 1HB CYS 44 HB2 CYS 44 -4.131 0.229 0.229
299 2HB CYS 44 HB1 CYS 44 -3.616 -1.107 -1.107
300 H PHE 45 HN PHE 45 -0.753 -2.048 -2.048
301 HA PHE 45 HA PHE 45 -0.293 -4.111 -4.111
302 1HB PHE 45 HB2 PHE 45 2.087 -4.208 -4.208
303 2HB PHE 45 HB1 PHE 45 1.664 -2.583 -2.583
304 HD1 PHE 45 HD2 PHE 45 1.042 -0.874 -0.874
305 HD2 PHE 45 HD1 PHE 45 3.199 -4.519 -4.519
306 HE1 PHE 45 HE2 PHE 45 1.917 0.039 0.039
307 HE2 PHE 45 HE1 PHE 45 4.074 -3.618 -3.618
308 HZ PHE 45 HZ PHE 45 3.437 -1.331 -1.331
309 H TYR 46 HN TYR 46 0.915 -6.083 -6.083
310 HA TYR 46 HA TYR 46 -0.810 -6.776 -6.776
311 1HB TYR 46 HB2 TYR 46 1.188 -8.247 -8.247
312 2HB TYR 46 HB1 TYR 46 0.602 -8.959 -8.959
313 HD1 TYR 46 HD2 TYR 46 -1.869 -9.306 -9.306
314 HD2 TYR 46 HD1 TYR 46 -0.187 -8.156 -8.156
315 HE1 TYR 46 HE2 TYR 46 -3.956 -10.007 -10.007
316 HE2 TYR 46 HE1 TYR 46 -2.275 -8.854 -8.854
317 HH TYR 46 HH TYR 46 -4.683 -9.154 -9.154
318 HA PRO 47 HA PRO 47 2.290 -6.233 -6.233
319 1HB PRO 47 HB2 PRO 47 1.388 -8.182 -8.182
320 2HB PRO 47 HB1 PRO 47 0.693 -6.566 -6.566
321 1HG PRO 47 HG2 PRO 47 -0.510 -9.063 -9.063
322 2HG PRO 47 HG1 PRO 47 -1.174 -7.440 -7.440
323 1HD PRO 47 HD2 PRO 47 0.140 -9.241 -9.241
324 2HD PRO 47 HD1 PRO 47 -1.009 -7.915 -7.915
325 H ASN 48 HN ASN 48 4.111 -7.276 -7.276
326 HA ASN 48 HA ASN 48 4.834 -9.944 -9.944
327 1HB ASN 48 HB2 ASN 48 6.493 -7.419 -7.419
328 2HB ASN 48 HB1 ASN 48 7.231 -9.018 -9.018
329 1HD2 ASN 48 HD22 ASN 48 5.805 -7.373 -7.373
330 2HD2 ASN 48 HD21 ASN 48 6.090 -6.503 -6.503
331 H THR 49 HN THR 49 4.145 -10.763 -10.763
332 HA THR 49 HA THR 49 5.603 -9.781 -9.781
333 HB THR 49 HB THR 49 4.253 -11.584 -11.584
334 HG1 THR 49 HG1 THR 49 2.389 -11.986 -11.986
335 1HG2 THR 49 HG22 THR 49 3.568 -9.128 -9.128
336 2HG2 THR 49 HG21 THR 49 2.500 -9.756 -9.756
337 3HG2 THR 49 HG23 THR 49 2.288 -10.267 -10.267
338 H ILE 50 HN ILE 50 7.563 -10.626 -10.626
339 HA ILE 50 HA ILE 50 8.409 -13.145 -13.145
340 HB ILE 50 HB ILE 50 9.994 -11.210 -11.210
341 1HG1 ILE 50 HG12 ILE 50 9.927 -11.465 -11.465
342 2HG1 ILE 50 HG11 ILE 50 9.069 -10.214 -10.214
343 1HG2 ILE 50 HG23 ILE 50 10.760 -13.517 -13.517
344 2HG2 ILE 50 HG22 ILE 50 11.918 -12.347 -12.347
345 3HG2 ILE 50 HG21 ILE 50 11.026 -13.394 -13.394
346 1HD1 ILE 50 HD13 ILE 50 11.382 -9.716 -9.716
347 2HD1 ILE 50 HD12 ILE 50 12.042 -10.626 -10.626
348 3HD1 ILE 50 HD11 ILE 50 11.098 -9.164 -9.164
349 H ASP 51 HN ASP 51 9.007 -14.989 -14.989
350 HA ASP 51 HA ASP 51 8.885 -14.867 -14.867
351 1HB ASP 51 HB2 ASP 51 6.490 -15.162 -15.162
352 2HB ASP 51 HB1 ASP 51 7.019 -16.772 -16.772
353 H VAL 52 HN VAL 52 9.228 -17.241 -17.241
354 HA VAL 52 HA VAL 52 10.808 -18.830 -18.830
355 HB VAL 52 HB VAL 52 12.571 -19.119 -19.119
356 1HG1 VAL 52 HG11 VAL 52 11.995 -16.320 -16.320
357 2HG1 VAL 52 HG13 VAL 52 13.533 -16.806 -16.806
358 3HG1 VAL 52 HG12 VAL 52 12.983 -17.550 -17.550
359 1HG2 VAL 52 HG21 VAL 52 10.750 -17.202 -17.202
360 2HG2 VAL 52 HG23 VAL 52 11.660 -18.568 -18.568
361 3HG2 VAL 52 HG22 VAL 52 12.489 -17.059 -17.059
362 HA PRO 53 HA PRO 53 8.189 -21.649 -21.649
363 1HB PRO 53 HB2 PRO 53 7.021 -22.848 -22.848
364 2HB PRO 53 HB1 PRO 53 6.360 -21.442 -21.442
365 1HG PRO 53 HG2 PRO 53 7.404 -21.561 -21.561
366 2HG PRO 53 HG1 PRO 53 6.748 -20.158 -20.158
367 1HD PRO 53 HD2 PRO 53 9.572 -20.943 -20.943
368 2HD PRO 53 HD1 PRO 53 8.883 -19.343 -19.343
369 HA PRO 54 HA PRO 54 10.649 -25.324 -25.324
370 1HB PRO 54 HB2 PRO 54 9.001 -27.168 -27.168
371 2HB PRO 54 HB1 PRO 54 10.078 -26.045 -26.045
372 1HG PRO 54 HG2 PRO 54 7.221 -26.085 -26.085
373 2HG PRO 54 HG1 PRO 54 8.302 -24.959 -24.959
374 1HD PRO 54 HD2 PRO 54 6.841 -24.603 -24.603
375 2HD PRO 54 HD1 PRO 54 7.471 -23.378 -23.378
376 H GLU 55 HN GLU 55 7.304 -25.275 -25.275
377 HA GLU 55 HA GLU 55 8.018 -27.325 -27.325
378 1HB GLU 55 HB2 GLU 55 5.563 -27.144 -27.144
379 2HB GLU 55 HB1 GLU 55 5.502 -27.945 -27.945
380 1HG GLU 55 HG2 GLU 55 7.659 -29.179 -29.179
381 2HG GLU 55 HG1 GLU 55 7.038 -28.717 -28.717
382 H GLU 56 HN GLU 56 6.112 -27.237 -27.237
383 HA GLU 56 HA GLU 56 5.548 -24.369 -24.369
384 1HB GLU 56 HB2 GLU 56 6.326 -26.487 -26.487
385 2HB GLU 56 HB1 GLU 56 5.959 -24.797 -24.797
386 1HG GLU 56 HG2 GLU 56 7.836 -24.252 -24.252
387 2HG GLU 56 HG1 GLU 56 8.322 -25.933 -25.933
388 H GLU 57 HN GLU 57 3.570 -23.960 -23.960
389 HA GLU 57 HA GLU 57 1.795 -26.268 -26.268
390 1HB GLU 57 HB2 GLU 57 1.597 -25.063 -25.063
391 2HB GLU 57 HB1 GLU 57 0.624 -23.931 -23.931
392 1HG GLU 57 HG2 GLU 57 -1.001 -25.508 -25.508
393 2HG GLU 57 HG1 GLU 57 0.126 -26.860 -26.860
394 H SER 58 HN SER 58 0.960 -26.001 -26.001
395 HA SER 58 HA SER 58 0.870 -23.277 -23.277
396 1HB SER 58 HB2 SER 58 0.623 -26.026 -26.026
397 2HB SER 58 HB1 SER 58 0.389 -24.531 -24.531
398 HG SER 58 HG SER 58 2.542 -23.956 -23.956
399 H GLU 59 HN GLU 59 -1.097 -22.466 -22.466
400 HA GLU 59 HA GLU 59 -3.518 -23.619 -23.619
401 1HB GLU 59 HB2 GLU 59 -2.934 -20.914 -20.914
402 2HB GLU 59 HB1 GLU 59 -4.538 -21.412 -21.412
403 1HG GLU 59 HG2 GLU 59 -3.575 -21.854 -21.854
404 2HG GLU 59 HG1 GLU 59 -2.041 -21.188 -21.188
405 H PHE 60 HN PHE 60 -5.439 -23.951 -23.951
406 HA PHE 60 HA PHE 60 -4.929 -24.012 -24.012
407 1HB PHE 60 HB2 PHE 60 -6.108 -26.221 -26.221
408 2HB PHE 60 HB1 PHE 60 -4.571 -26.289 -26.289
409 HD1 PHE 60 HD1 PHE 60 -8.250 -26.262 -26.262
410 HD2 PHE 60 HD2 PHE 60 -4.478 -26.656 -26.656
411 HE1 PHE 60 HE1 PHE 60 -9.418 -27.098 -27.098
412 HE2 PHE 60 HE2 PHE 60 -5.647 -27.491 -27.491
413 HZ PHE 60 HZ PHE 60 -8.117 -27.712 -27.712
Start of MODEL 5
1 1H GLU 1 HT2 GLU 1 13.548 -7.704 -7.704
2 2H GLU 1 HT1 GLU 1 14.799 -8.660 -8.660
3 3H GLU 1 HT3 GLU 1 14.250 -7.302 -7.302
4 HA GLU 1 HA GLU 1 13.400 -9.293 -9.293
5 1HB GLU 1 HB2 GLU 1 12.624 -9.781 -9.781
6 2HB GLU 1 HB1 GLU 1 11.586 -10.415 -10.415
7 1HG GLU 1 HG2 GLU 1 13.075 -12.182 -12.182
8 2HG GLU 1 HG1 GLU 1 13.874 -11.268 -11.268
9 H ALA 2 HN ALA 2 11.190 -9.296 -9.296
10 HA ALA 2 HA ALA 2 9.262 -7.399 -7.399
11 1HB ALA 2 HB1 ALA 2 10.827 -5.894 -5.894
12 2HB ALA 2 HB3 ALA 2 10.621 -6.848 -6.848
13 3HB ALA 2 HB2 ALA 2 9.258 -5.950 -5.950
14 H GLN 3 HN GLN 3 8.007 -9.408 -9.408
15 HA GLN 3 HA GLN 3 7.462 -10.576 -10.576
16 1HB GLN 3 HB2 GLN 3 6.712 -11.290 -11.290
17 2HB GLN 3 HB1 GLN 3 5.927 -12.063 -12.063
18 1HG GLN 3 HG2 GLN 3 7.970 -12.989 -12.989
19 2HG GLN 3 HG1 GLN 3 8.934 -11.934 -11.934
20 1HE2 GLN 3 HE22 GLN 3 8.177 -13.863 -13.863
21 2HE2 GLN 3 HE21 GLN 3 8.357 -12.251 -12.251
22 H THR 4 HN THR 4 6.141 -9.157 -9.157
23 HA THR 4 HA THR 4 3.397 -8.914 -8.914
24 HB THR 4 HB THR 4 3.682 -6.274 -6.274
25 HG1 THR 4 HG1 THR 4 6.038 -6.735 -6.735
26 1HG2 THR 4 HG21 THR 4 2.922 -7.808 -7.808
27 2HG2 THR 4 HG23 THR 4 4.471 -7.290 -7.290
28 3HG2 THR 4 HG22 THR 4 3.253 -6.090 -6.090
29 H GLU 5 HN GLU 5 2.475 -6.939 -6.939
30 HA GLU 5 HA GLU 5 3.114 -8.068 -8.068
31 1HB GLU 5 HB2 GLU 5 0.894 -6.399 -6.399
32 2HB GLU 5 HB1 GLU 5 1.177 -6.381 -6.381
33 1HG GLU 5 HG2 GLU 5 0.632 -8.622 -8.622
34 2HG GLU 5 HG1 GLU 5 1.068 -9.024 -9.024
35 H THR 6 HN THR 6 3.718 -6.683 -6.683
36 HA THR 6 HA THR 6 4.476 -3.924 -3.924
37 HB THR 6 HB THR 6 6.578 -5.681 -5.681
38 HG1 THR 6 HG1 THR 6 7.344 -5.701 -5.701
39 1HG2 THR 6 HG23 THR 6 6.542 -3.067 -3.067
40 2HG2 THR 6 HG22 THR 6 6.980 -3.404 -3.404
41 3HG2 THR 6 HG21 THR 6 8.022 -3.953 -3.953
42 H CYS 7 HN CYS 7 3.919 -2.674 -2.674
43 HA CYS 7 HA CYS 7 3.599 -4.037 -4.037
44 1HB CYS 7 HB2 CYS 7 2.478 -1.415 -1.415
45 2HB CYS 7 HB1 CYS 7 2.246 -2.015 -2.015
46 H THR 8 HN THR 8 6.254 -3.484 -3.484
47 HA THR 8 HA THR 8 6.891 -1.037 -1.037
48 HB THR 8 HB THR 8 7.744 -0.968 -0.968
49 HG1 THR 8 HG1 THR 8 9.743 -0.405 -0.405
50 1HG2 THR 8 HG21 THR 8 7.864 -3.617 -3.617
51 2HG2 THR 8 HG23 THR 8 9.528 -3.313 -3.313
52 3HG2 THR 8 HG22 THR 8 8.938 -2.675 -2.675
53 H VAL 9 HN VAL 9 7.295 -1.616 -1.616
54 HA VAL 9 HA VAL 9 9.219 -3.823 -3.823
55 HB VAL 9 HB VAL 9 6.740 -3.339 -3.339
56 1HG1 VAL 9 HG13 VAL 9 8.939 -5.424 -5.424
57 2HG1 VAL 9 HG12 VAL 9 7.423 -5.594 -5.594
58 3HG1 VAL 9 HG11 VAL 9 8.528 -4.275 -4.275
59 1HG2 VAL 9 HG23 VAL 9 6.390 -4.297 -4.297
60 2HG2 VAL 9 HG22 VAL 9 5.775 -5.264 -5.264
61 3HG2 VAL 9 HG21 VAL 9 7.293 -5.705 -5.705
62 H ALA 10 HN ALA 10 10.342 -3.615 -3.615
63 HA ALA 10 HA ALA 10 10.979 -0.840 -0.840
64 1HB ALA 10 HB3 ALA 10 12.586 -2.857 -2.857
65 2HB ALA 10 HB2 ALA 10 11.902 -3.190 -3.190
66 3HB ALA 10 HB1 ALA 10 12.738 -1.666 -1.666
67 HA PRO 11 HA PRO 11 7.513 -0.130 -0.130
68 1HB PRO 11 HB2 PRO 11 9.380 1.731 1.731
69 2HB PRO 11 HB1 PRO 11 7.809 2.050 2.050
70 1HG PRO 11 HG2 PRO 11 10.388 2.537 2.537
71 2HG PRO 11 HG1 PRO 11 8.815 2.797 2.797
72 1HD PRO 11 HD2 PRO 11 10.720 0.899 0.899
73 2HD PRO 11 HD1 PRO 11 9.020 0.927 0.927
74 H ARG 12 HN ARG 12 10.861 -0.836 -0.836
75 HA ARG 12 HA ARG 12 10.380 -1.233 -1.233
76 1HB ARG 12 HB2 ARG 12 12.536 -1.887 -1.887
77 2HB ARG 12 HB1 ARG 12 12.483 -2.853 -2.853
78 1HG ARG 12 HG2 ARG 12 12.178 -0.481 -0.481
79 2HG ARG 12 HG1 ARG 12 12.969 0.083 0.083
80 1HD ARG 12 HD2 ARG 12 14.964 -0.922 -0.922
81 2HD ARG 12 HD1 ARG 12 14.187 -2.277 -2.277
82 HE ARG 12 HE ARG 12 14.015 0.324 0.324
83 1HH1 ARG 12 HH11 ARG 12 15.579 -2.776 -2.776
84 2HH1 ARG 12 HH12 ARG 12 16.281 -2.733 -2.733
85 1HH2 ARG 12 HH21 ARG 12 14.945 0.360 0.360
86 2HH2 ARG 12 HH22 ARG 12 15.922 -0.965 -0.965
87 H GLU 13 HN GLU 13 11.006 -3.746 -3.746
88 HA GLU 13 HA GLU 13 9.591 -5.690 -5.690
89 1HB GLU 13 HB2 GLU 13 11.081 -5.994 -5.994
90 2HB GLU 13 HB1 GLU 13 10.391 -7.324 -7.324
91 1HG GLU 13 HG2 GLU 13 11.822 -6.151 -6.151
92 2HG GLU 13 HG1 GLU 13 12.797 -5.659 -5.659
93 H ARG 14 HN ARG 14 7.873 -3.682 -3.682
94 HA ARG 14 HA ARG 14 6.568 -4.699 -4.699
95 1HB ARG 14 HB2 ARG 14 6.371 -2.288 -2.288
96 2HB ARG 14 HB1 ARG 14 4.867 -2.814 -2.814
97 1HG ARG 14 HG2 ARG 14 6.309 -2.991 -2.991
98 2HG ARG 14 HG1 ARG 14 7.432 -1.939 -1.939
99 1HD ARG 14 HD2 ARG 14 5.521 -0.358 -0.358
100 2HD ARG 14 HD1 ARG 14 4.522 -1.368 -1.368
101 HE ARG 14 HE ARG 14 6.652 -0.853 -0.853
102 1HH1 ARG 14 HH11 ARG 14 4.641 1.179 1.179
103 2HH1 ARG 14 HH12 ARG 14 4.829 2.577 2.577
104 1HH2 ARG 14 HH21 ARG 14 6.884 0.993 0.993
105 2HH2 ARG 14 HH22 ARG 14 6.092 2.470 2.470
106 H GLN 15 HN GLN 15 4.554 -5.765 -5.765
107 HA GLN 15 HA GLN 15 3.754 -6.958 -6.958
108 1HB GLN 15 HB2 GLN 15 3.667 -7.741 -7.741
109 2HB GLN 15 HB1 GLN 15 2.095 -7.951 -7.951
110 1HG GLN 15 HG2 GLN 15 3.208 -9.994 -9.994
111 2HG GLN 15 HG1 GLN 15 3.403 -9.093 -9.093
112 1HE2 GLN 15 HE22 GLN 15 6.908 -9.192 -9.192
113 2HE2 GLN 15 HE21 GLN 15 5.520 -9.021 -9.021
114 H ASN 16 HN ASN 16 2.364 -5.665 -5.665
115 HA ASN 16 HA ASN 16 0.696 -3.684 -3.684
116 1HB ASN 16 HB2 ASN 16 1.466 -4.328 -4.328
117 2HB ASN 16 HB1 ASN 16 -0.193 -4.923 -4.923
118 1HD2 ASN 16 HD22 ASN 16 -0.117 -1.246 -1.246
119 2HD2 ASN 16 HD21 ASN 16 0.703 -2.599 -2.599
120 H CYS 17 HN CYS 17 -1.153 -3.937 -3.937
121 HA CYS 17 HA CYS 17 -2.468 -6.554 -6.554
122 1HB CYS 17 HB2 CYS 17 -1.951 -4.846 -4.846
123 2HB CYS 17 HB1 CYS 17 -3.518 -4.200 -4.200
124 H GLY 18 HN GLY 18 -2.739 -3.563 -3.563
125 1HA GLY 18 HA2 GLY 18 -4.918 -4.337 -4.337
126 2HA GLY 18 HA1 GLY 18 -5.541 -3.309 -3.309
127 H PHE 19 HN PHE 19 -5.880 -2.156 -2.156
128 HA PHE 19 HA PHE 19 -3.629 -0.768 -0.768
129 1HB PHE 19 HB2 PHE 19 -5.420 0.788 0.788
130 2HB PHE 19 HB1 PHE 19 -5.513 -0.909 -0.909
131 HD1 PHE 19 HD2 PHE 19 -7.154 -2.424 -2.424
132 HD2 PHE 19 HD1 PHE 19 -7.205 1.848 1.848
133 HE1 PHE 19 HE2 PHE 19 -9.476 -2.542 -2.542
134 HE2 PHE 19 HE1 PHE 19 -9.535 1.729 1.729
135 HZ PHE 19 HZ PHE 19 -10.667 -0.465 -0.465
136 HA PRO 20 HA PRO 20 -3.183 2.602 2.602
137 1HB PRO 20 HB2 PRO 20 -2.569 4.676 4.676
138 2HB PRO 20 HB1 PRO 20 -1.433 3.469 3.469
139 1HG PRO 20 HG2 PRO 20 -2.398 3.789 3.789
140 2HG PRO 20 HG1 PRO 20 -1.238 2.602 2.602
141 1HD PRO 20 HD2 PRO 20 -4.072 2.245 2.245
142 2HD PRO 20 HD1 PRO 20 -2.820 1.019 1.019
143 H GLY 21 HN GLY 21 -5.386 3.243 3.243
144 1HA GLY 21 HA2 GLY 21 -6.505 5.665 5.665
145 2HA GLY 21 HA1 GLY 21 -7.343 4.478 4.478
146 H VAL 22 HN VAL 22 -6.565 2.592 2.592
147 HA VAL 22 HA VAL 22 -9.165 2.553 2.553
148 HB VAL 22 HB VAL 22 -8.110 1.142 1.142
149 1HG1 VAL 22 HG13 VAL 22 -8.825 0.254 0.254
150 2HG1 VAL 22 HG12 VAL 22 -7.147 0.412 0.412
151 3HG1 VAL 22 HG11 VAL 22 -7.563 -0.690 -0.690
152 1HG2 VAL 22 HG23 VAL 22 -5.620 2.074 2.074
153 2HG2 VAL 22 HG22 VAL 22 -5.960 2.086 2.086
154 3HG2 VAL 22 HG21 VAL 22 -5.642 0.561 0.561
155 H THR 23 HN THR 23 -9.551 2.888 2.888
156 HA THR 23 HA THR 23 -8.098 5.295 5.295
157 HB THR 23 HB THR 23 -10.259 6.100 6.100
158 HG1 THR 23 HG1 THR 23 -12.116 4.943 4.943
159 1HG2 THR 23 HG21 THR 23 -9.397 6.636 6.636
160 2HG2 THR 23 HG23 THR 23 -10.635 5.512 5.512
161 3HG2 THR 23 HG22 THR 23 -11.099 6.958 6.958
162 HA PRO 24 HA PRO 24 -7.149 3.582 3.582
163 1HB PRO 24 HB2 PRO 24 -9.179 5.229 5.229
164 2HB PRO 24 HB1 PRO 24 -7.419 5.247 5.247
165 1HG PRO 24 HG2 PRO 24 -9.079 7.021 7.021
166 2HG PRO 24 HG1 PRO 24 -7.331 7.092 7.092
167 1HD PRO 24 HD2 PRO 24 -8.514 6.550 6.550
168 2HD PRO 24 HD1 PRO 24 -6.864 6.060 6.060
169 H SER 25 HN SER 25 -10.624 4.020 4.020
170 HA SER 25 HA SER 25 -11.525 2.057 2.057
171 1HB SER 25 HB2 SER 25 -13.640 2.189 2.189
172 2HB SER 25 HB1 SER 25 -13.120 3.683 3.683
173 HG SER 25 HG SER 25 -11.855 3.445 3.445
174 H GLN 26 HN GLN 26 -11.051 2.013 2.013
175 HA GLN 26 HA GLN 26 -11.806 -0.707 -0.707
176 1HB GLN 26 HB2 GLN 26 -10.264 1.289 1.289
177 2HB GLN 26 HB1 GLN 26 -10.280 -0.405 -0.405
178 1HG GLN 26 HG2 GLN 26 -12.805 -0.330 -0.330
179 2HG GLN 26 HG1 GLN 26 -12.670 1.414 1.414
180 1HE2 GLN 26 HE22 GLN 26 -12.714 0.103 0.103
181 2HE2 GLN 26 HE21 GLN 26 -13.387 -0.693 -0.693
182 H CYS 27 HN CYS 27 -8.597 0.851 0.851
183 HA CYS 27 HA CYS 27 -7.052 -1.499 -1.499
184 1HB CYS 27 HB2 CYS 27 -6.270 0.953 0.953
185 2HB CYS 27 HB1 CYS 27 -6.377 0.773 0.773
186 H ALA 28 HN ALA 28 -8.896 -0.180 -0.180
187 HA ALA 28 HA ALA 28 -7.823 -2.274 -2.274
188 1HB ALA 28 HB2 ALA 28 -8.062 0.076 0.076
189 2HB ALA 28 HB1 ALA 28 -9.805 -0.059 -0.059
190 3HB ALA 28 HB3 ALA 28 -8.991 -1.079 -1.079
191 H ASN 29 HN ASN 29 -10.264 -2.036 -2.036
192 HA ASN 29 HA ASN 29 -12.462 -3.195 -3.195
193 1HB ASN 29 HB2 ASN 29 -12.564 -1.967 -1.967
194 2HB ASN 29 HB1 ASN 29 -11.899 -3.422 -3.422
195 1HD2 ASN 29 HD22 ASN 29 -15.795 -3.369 -3.369
196 2HD2 ASN 29 HD21 ASN 29 -14.765 -2.069 -2.069
197 H LYS 30 HN LYS 30 -9.590 -4.537 -4.537
198 HA LYS 30 HA LYS 30 -10.675 -7.252 -7.252
199 1HB LYS 30 HB2 LYS 30 -8.746 -7.955 -7.955
200 2HB LYS 30 HB1 LYS 30 -10.101 -7.118 -7.118
201 1HG LYS 30 HG2 LYS 30 -7.878 -5.411 -5.411
202 2HG LYS 30 HG1 LYS 30 -7.540 -6.391 -6.391
203 1HD LYS 30 HD2 LYS 30 -9.761 -5.487 -5.487
204 2HD LYS 30 HD1 LYS 30 -9.676 -4.288 -4.288
205 1HE LYS 30 HE2 LYS 30 -7.832 -3.232 -3.232
206 2HE LYS 30 HE1 LYS 30 -7.245 -4.702 -4.702
207 1HZ LYS 30 HZ2 LYS 30 -9.798 -3.844 -3.844
208 2HZ LYS 30 HZ1 LYS 30 -8.562 -2.711 -2.711
209 3HZ LYS 30 HZ3 LYS 30 -8.408 -4.292 -4.292
210 H GLY 31 HN GLY 31 -7.865 -5.110 -5.110
211 1HA GLY 31 HA2 GLY 31 -6.928 -5.441 -5.441
212 2HA GLY 31 HA1 GLY 31 -6.826 -7.147 -7.147
213 H CYS 32 HN CYS 32 -5.912 -4.058 -4.058
214 HA CYS 32 HA CYS 32 -3.234 -5.270 -5.270
215 1HB CYS 32 HB2 CYS 32 -4.630 -3.250 -3.250
216 2HB CYS 32 HB1 CYS 32 -3.120 -4.091 -4.091
217 H CYS 33 HN CYS 33 -1.465 -3.980 -3.980
218 HA CYS 33 HA CYS 33 -1.991 -1.734 -1.734
219 1HB CYS 33 HB2 CYS 33 0.648 -2.515 -2.515
220 2HB CYS 33 HB1 CYS 33 0.418 -1.517 -1.517
221 H PHE 34 HN PHE 34 -2.406 0.341 0.341
222 HA PHE 34 HA PHE 34 -1.834 1.074 1.074
223 1HB PHE 34 HB2 PHE 34 -4.080 1.538 1.538
224 2HB PHE 34 HB1 PHE 34 -3.269 2.681 2.681
225 HD1 PHE 34 HD1 PHE 34 -2.038 4.648 4.648
226 HD2 PHE 34 HD2 PHE 34 -4.583 2.106 2.106
227 HE1 PHE 34 HE1 PHE 34 -2.143 6.386 6.386
228 HE2 PHE 34 HE2 PHE 34 -4.689 3.845 3.845
229 HZ PHE 34 HZ PHE 34 -3.470 5.983 5.983
230 H ASP 35 HN ASP 35 -0.324 2.683 2.683
231 HA ASP 35 HA ASP 35 0.910 4.264 4.264
232 1HB ASP 35 HB2 ASP 35 2.161 2.088 2.088
233 2HB ASP 35 HB1 ASP 35 2.586 2.422 2.422
234 H ASP 36 HN ASP 36 0.767 6.279 6.279
235 HA ASP 36 HA ASP 36 1.417 6.532 6.532
236 1HB ASP 36 HB2 ASP 36 0.119 8.715 8.715
237 2HB ASP 36 HB1 ASP 36 -0.843 7.247 7.247
238 H THR 37 HN THR 37 3.734 6.554 6.554
239 HA THR 37 HA THR 37 4.447 9.210 9.210
240 HB THR 37 HB THR 37 6.672 7.915 7.915
241 HG1 THR 37 HG1 THR 37 5.492 6.065 6.065
242 1HG2 THR 37 HG21 THR 37 4.053 7.740 7.740
243 2HG2 THR 37 HG23 THR 37 5.466 6.902 6.902
244 3HG2 THR 37 HG22 THR 37 5.503 8.651 8.651
245 H VAL 38 HN VAL 38 5.002 6.854 6.854
246 HA VAL 38 HA VAL 38 6.714 8.879 8.879
247 HB VAL 38 HB VAL 38 6.906 5.866 5.866
248 1HG1 VAL 38 HG11 VAL 38 7.601 7.172 7.172
249 2HG1 VAL 38 HG13 VAL 38 8.691 8.119 8.119
250 3HG1 VAL 38 HG12 VAL 38 8.983 6.395 6.395
251 1HG2 VAL 38 HG23 VAL 38 8.331 7.851 7.851
252 2HG2 VAL 38 HG22 VAL 38 7.789 6.218 6.218
253 3HG2 VAL 38 HG21 VAL 38 9.218 6.460 6.460
254 H ARG 39 HN ARG 39 6.469 8.983 8.983
255 HA ARG 39 HA ARG 39 3.775 8.129 8.129
256 1HB ARG 39 HB2 ARG 39 5.650 10.322 10.322
257 2HB ARG 39 HB1 ARG 39 4.605 9.683 9.683
258 1HG ARG 39 HG2 ARG 39 2.649 10.001 10.001
259 2HG ARG 39 HG1 ARG 39 3.743 10.836 10.836
260 1HD ARG 39 HD2 ARG 39 3.634 11.709 11.709
261 2HD ARG 39 HD1 ARG 39 2.347 12.212 12.212
262 HE ARG 39 HE ARG 39 5.116 13.101 13.101
263 1HH1 ARG 39 HH21 ARG 39 2.119 12.715 12.715
264 2HH1 ARG 39 HH22 ARG 39 2.481 13.951 13.951
265 1HH2 ARG 39 HH11 ARG 39 5.569 14.718 14.718
266 2HH2 ARG 39 HH12 ARG 39 4.426 15.080 15.080
267 H GLY 40 HN GLY 40 3.819 7.711 7.711
268 1HA GLY 40 HA2 GLY 40 4.450 6.253 6.253
269 2HA GLY 40 HA1 GLY 40 6.109 6.493 6.493
270 H VAL 41 HN VAL 41 4.087 5.421 5.421
271 HA VAL 41 HA VAL 41 4.764 2.588 2.588
272 HB VAL 41 HB VAL 41 5.386 2.384 2.384
273 1HG1 VAL 41 HG12 VAL 41 7.107 2.684 2.684
274 2HG1 VAL 41 HG11 VAL 41 6.996 4.432 4.432
275 3HG1 VAL 41 HG13 VAL 41 7.598 3.422 3.422
276 1HG2 VAL 41 HG22 VAL 41 4.091 4.557 4.557
277 2HG2 VAL 41 HG21 VAL 41 5.629 4.293 4.293
278 3HG2 VAL 41 HG23 VAL 41 5.540 5.400 5.400
279 HA PRO 42 HA PRO 42 0.690 1.846 1.846
280 1HB PRO 42 HB2 PRO 42 1.117 -0.697 -0.697
281 2HB PRO 42 HB1 PRO 42 0.807 -0.333 -0.333
282 1HG PRO 42 HG2 PRO 42 3.200 -1.347 -1.347
283 2HG PRO 42 HG1 PRO 42 2.905 -0.919 -0.919
284 1HD PRO 42 HD2 PRO 42 4.293 0.629 0.629
285 2HD PRO 42 HD1 PRO 42 4.435 0.744 0.744
286 H TRP 43 HN TRP 43 -0.229 2.716 2.716
287 HA TRP 43 HA TRP 43 1.275 2.754 2.754
288 1HB TRP 43 HB2 TRP 43 -1.548 3.731 3.731
289 2HB TRP 43 HB1 TRP 43 -0.496 4.185 4.185
290 HD1 TRP 43 HD1 TRP 43 2.176 4.729 4.729
291 HE1 TRP 43 HE1 TRP 43 2.359 6.780 6.780
292 HE3 TRP 43 HE3 TRP 43 -2.776 5.639 5.639
293 HZ2 TRP 43 HZ2 TRP 43 0.634 8.570 8.570
294 HZ3 TRP 43 HZ3 TRP 43 -3.477 7.522 7.522
295 HH2 TRP 43 HH2 TRP 43 -1.780 8.986 8.986
296 H CYS 44 HN CYS 44 -1.528 1.069 1.069
297 HA CYS 44 HA CYS 44 -2.147 -0.184 -0.184
298 1HB CYS 44 HB2 CYS 44 -3.869 0.557 0.557
299 2HB CYS 44 HB1 CYS 44 -3.343 -0.840 -0.840
300 H PHE 45 HN PHE 45 -0.675 -1.797 -1.797
301 HA PHE 45 HA PHE 45 -0.164 -3.889 -3.889
302 1HB PHE 45 HB2 PHE 45 2.198 -3.994 -3.994
303 2HB PHE 45 HB1 PHE 45 1.801 -2.369 -2.369
304 HD1 PHE 45 HD1 PHE 45 0.949 -0.754 -0.754
305 HD2 PHE 45 HD2 PHE 45 3.463 -4.195 -4.195
306 HE1 PHE 45 HE1 PHE 45 1.777 0.164 0.164
307 HE2 PHE 45 HE2 PHE 45 4.297 -3.275 -3.275
308 HZ PHE 45 HZ PHE 45 3.451 -1.094 -1.094
309 H TYR 46 HN TYR 46 1.144 -5.782 -5.782
310 HA TYR 46 HA TYR 46 -0.697 -6.570 -6.570
311 1HB TYR 46 HB2 TYR 46 1.416 -7.892 -7.892
312 2HB TYR 46 HB1 TYR 46 1.039 -8.603 -8.603
313 HD1 TYR 46 HD1 TYR 46 -1.305 -9.325 -9.325
314 HD2 TYR 46 HD2 TYR 46 -0.115 -8.032 -8.032
315 HE1 TYR 46 HE1 TYR 46 -3.346 -10.354 -10.354
316 HE2 TYR 46 HE2 TYR 46 -2.156 -9.060 -9.060
317 HH TYR 46 HH TYR 46 -4.523 -10.731 -10.731
318 HA PRO 47 HA PRO 47 2.135 -5.852 -5.852
319 1HB PRO 47 HB2 PRO 47 1.242 -7.871 -7.871
320 2HB PRO 47 HB1 PRO 47 0.434 -6.319 -6.319
321 1HG PRO 47 HG2 PRO 47 -0.496 -8.905 -8.905
322 2HG PRO 47 HG1 PRO 47 -1.280 -7.343 -7.343
323 1HD PRO 47 HD2 PRO 47 0.334 -8.998 -8.998
324 2HD PRO 47 HD1 PRO 47 -0.899 -7.770 -7.770
325 H ASN 48 HN ASN 48 3.732 -6.981 -6.981
326 HA ASN 48 HA ASN 48 4.851 -9.455 -9.455
327 1HB ASN 48 HB2 ASN 48 6.194 -6.824 -6.824
328 2HB ASN 48 HB1 ASN 48 7.119 -8.306 -8.306
329 1HD2 ASN 48 HD22 ASN 48 7.806 -8.394 -8.394
330 2HD2 ASN 48 HD21 ASN 48 8.399 -8.497 -8.497
331 H THR 49 HN THR 49 3.647 -10.433 -10.433
332 HA THR 49 HA THR 49 4.289 -9.686 -9.686
333 HB THR 49 HB THR 49 3.133 -11.818 -11.818
334 HG1 THR 49 HG1 THR 49 2.138 -12.577 -12.577
335 1HG2 THR 49 HG21 THR 49 2.026 -9.544 -9.544
336 2HG2 THR 49 HG23 THR 49 1.474 -10.576 -10.576
337 3HG2 THR 49 HG22 THR 49 1.044 -10.966 -10.966
338 H ILE 50 HN ILE 50 5.699 -10.694 -10.694
339 HA ILE 50 HA ILE 50 7.626 -12.611 -12.611
340 HB ILE 50 HB ILE 50 8.185 -10.534 -10.534
341 1HG1 ILE 50 HG12 ILE 50 9.206 -10.503 -10.503
342 2HG1 ILE 50 HG11 ILE 50 7.696 -9.705 -9.705
343 1HG2 ILE 50 HG21 ILE 50 9.770 -12.681 -12.681
344 2HG2 ILE 50 HG23 ILE 50 10.590 -11.197 -11.197
345 3HG2 ILE 50 HG22 ILE 50 9.781 -12.192 -12.192
346 1HD1 ILE 50 HD12 ILE 50 8.953 -8.451 -8.451
347 2HD1 ILE 50 HD11 ILE 50 10.444 -9.147 -9.147
348 3HD1 ILE 50 HD13 ILE 50 9.480 -8.068 -8.068
349 H ASP 51 HN ASP 51 8.255 -14.373 -14.373
350 HA ASP 51 HA ASP 51 7.210 -14.470 -14.470
351 1HB ASP 51 HB2 ASP 51 5.481 -15.314 -15.314
352 2HB ASP 51 HB1 ASP 51 6.423 -16.793 -16.793
353 H VAL 52 HN VAL 52 7.549 -17.164 -17.164
354 HA VAL 52 HA VAL 52 10.445 -17.406 -17.406
355 HB VAL 52 HB VAL 52 10.084 -19.409 -19.409
356 1HG1 VAL 52 HG12 VAL 52 10.227 -16.948 -16.948
357 2HG1 VAL 52 HG11 VAL 52 8.490 -17.085 -17.085
358 3HG1 VAL 52 HG13 VAL 52 9.606 -18.147 -18.147
359 1HG2 VAL 52 HG21 VAL 52 7.831 -19.970 -19.970
360 2HG2 VAL 52 HG23 VAL 52 7.837 -19.895 -19.895
361 3HG2 VAL 52 HG22 VAL 52 7.172 -18.557 -18.557
362 HA PRO 53 HA PRO 53 10.343 -20.489 -20.489
363 1HB PRO 53 HB2 PRO 53 12.819 -21.620 -21.620
364 2HB PRO 53 HB1 PRO 53 12.559 -20.084 -20.084
365 1HG PRO 53 HG2 PRO 53 13.782 -20.517 -20.517
366 2HG PRO 53 HG1 PRO 53 13.521 -18.983 -18.983
367 1HD PRO 53 HD2 PRO 53 11.948 -20.201 -20.201
368 2HD PRO 53 HD1 PRO 53 12.052 -18.503 -18.503
369 HA PRO 54 HA PRO 54 9.166 -24.179 -24.179
370 1HB PRO 54 HB2 PRO 54 7.009 -24.783 -24.783
371 2HB PRO 54 HB1 PRO 54 6.939 -23.744 -23.744
372 1HG PRO 54 HG2 PRO 54 6.581 -22.998 -22.998
373 2HG PRO 54 HG1 PRO 54 6.535 -21.960 -21.960
374 1HD PRO 54 HD2 PRO 54 8.732 -22.380 -22.380
375 2HD PRO 54 HD1 PRO 54 8.437 -21.015 -21.015
376 H GLU 55 HN GLU 55 8.025 -26.378 -26.378
377 HA GLU 55 HA GLU 55 10.383 -27.404 -27.404
378 1HB GLU 55 HB2 GLU 55 8.889 -28.784 -28.784
379 2HB GLU 55 HB1 GLU 55 7.634 -28.658 -28.658
380 1HG GLU 55 HG2 GLU 55 8.736 -30.051 -30.051
381 2HG GLU 55 HG1 GLU 55 10.332 -29.561 -29.561
382 H GLU 56 HN GLU 56 10.711 -27.608 -27.608
383 HA GLU 56 HA GLU 56 8.553 -26.557 -26.557
384 1HB GLU 56 HB2 GLU 56 11.529 -26.432 -26.432
385 2HB GLU 56 HB1 GLU 56 10.706 -26.571 -26.571
386 1HG GLU 56 HG2 GLU 56 9.751 -24.567 -24.567
387 2HG GLU 56 HG1 GLU 56 11.134 -24.189 -24.189
388 H GLU 57 HN GLU 57 7.428 -28.138 -28.138
389 HA GLU 57 HA GLU 57 8.845 -30.673 -30.673
390 1HB GLU 57 HB2 GLU 57 6.666 -30.585 -30.585
391 2HB GLU 57 HB1 GLU 57 5.861 -30.285 -30.285
392 1HG GLU 57 HG2 GLU 57 6.981 -32.349 -32.349
393 2HG GLU 57 HG1 GLU 57 7.570 -32.681 -32.681
394 H SER 58 HN SER 58 8.405 -31.673 -31.673
395 HA SER 58 HA SER 58 7.391 -29.792 -29.792
396 1HB SER 58 HB2 SER 58 9.383 -30.672 -30.672
397 2HB SER 58 HB1 SER 58 9.693 -29.399 -29.399
398 HG SER 58 HG SER 58 9.845 -31.846 -31.846
399 H GLU 59 HN GLU 59 5.666 -30.945 -30.945
400 HA GLU 59 HA GLU 59 6.202 -33.741 -33.741
401 1HB GLU 59 HB2 GLU 59 3.946 -32.644 -32.644
402 2HB GLU 59 HB1 GLU 59 3.645 -34.011 -34.011
403 1HG GLU 59 HG2 GLU 59 5.951 -33.987 -33.987
404 2HG GLU 59 HG1 GLU 59 4.351 -34.580 -34.580
405 H PHE 60 HN PHE 60 6.229 -33.523 -33.523
406 HA PHE 60 HA PHE 60 4.018 -31.955 -31.955
407 1HB PHE 60 HB2 PHE 60 6.566 -31.363 -31.363
408 2HB PHE 60 HB1 PHE 60 6.502 -32.703 -32.703
409 HD1 PHE 60 HD1 PHE 60 4.913 -29.453 -29.453
410 HD2 PHE 60 HD2 PHE 60 5.456 -32.464 -32.464
411 HE1 PHE 60 HE1 PHE 60 3.823 -27.979 -27.979
412 HE2 PHE 60 HE2 PHE 60 4.366 -30.990 -30.990
413 HZ PHE 60 HZ PHE 60 3.548 -28.748 -28.748
Start of MODEL 6
1 1H GLU 1 HT1 GLU 1 16.902 -8.492 -8.492
2 2H GLU 1 HT3 GLU 1 18.551 -8.118 -8.118
3 3H GLU 1 HT2 GLU 1 17.547 -7.931 -7.931
4 HA GLU 1 HA GLU 1 16.913 -5.935 -5.935
5 1HB GLU 1 HB2 GLU 1 19.441 -6.202 -6.202
6 2HB GLU 1 HB1 GLU 1 18.749 -5.995 -5.995
7 1HG GLU 1 HG2 GLU 1 17.899 -3.850 -3.850
8 2HG GLU 1 HG1 GLU 1 18.059 -4.107 -4.107
9 H ALA 2 HN ALA 2 15.196 -7.919 -7.919
10 HA ALA 2 HA ALA 2 13.944 -6.380 -6.380
11 1HB ALA 2 HB2 ALA 2 15.740 -8.599 -8.599
12 2HB ALA 2 HB1 ALA 2 14.125 -8.754 -8.754
13 3HB ALA 2 HB3 ALA 2 15.087 -7.313 -7.313
14 H GLN 3 HN GLN 3 12.511 -6.713 -6.713
15 HA GLN 3 HA GLN 3 10.732 -8.993 -8.993
16 1HB GLN 3 HB2 GLN 3 12.083 -8.423 -8.423
17 2HB GLN 3 HB1 GLN 3 10.626 -9.406 -9.406
18 1HG GLN 3 HG2 GLN 3 12.114 -11.120 -11.120
19 2HG GLN 3 HG1 GLN 3 12.166 -10.550 -10.550
20 1HE2 GLN 3 HE22 GLN 3 15.662 -10.233 -10.233
21 2HE2 GLN 3 HE21 GLN 3 14.406 -11.031 -11.031
22 H THR 4 HN THR 4 9.128 -7.492 -7.492
23 HA THR 4 HA THR 4 7.558 -6.304 -6.304
24 HB THR 4 HB THR 4 7.961 -3.936 -3.936
25 HG1 THR 4 HG1 THR 4 9.940 -5.366 -5.366
26 1HG2 THR 4 HG23 THR 4 8.160 -4.847 -4.847
27 2HG2 THR 4 HG22 THR 4 9.846 -4.444 -4.444
28 3HG2 THR 4 HG21 THR 4 8.598 -3.208 -3.208
29 H GLU 5 HN GLU 5 6.164 -4.378 -4.378
30 HA GLU 5 HA GLU 5 5.100 -6.039 -6.039
31 1HB GLU 5 HB2 GLU 5 3.740 -3.813 -3.813
32 2HB GLU 5 HB1 GLU 5 2.989 -4.861 -4.861
33 1HG GLU 5 HG2 GLU 5 3.794 -6.808 -6.808
34 2HG GLU 5 HG1 GLU 5 3.942 -5.557 -5.557
35 H THR 6 HN THR 6 5.465 -5.262 -5.262
36 HA THR 6 HA THR 6 5.690 -2.337 -2.337
37 HB THR 6 HB THR 6 7.575 -4.121 -4.121
38 HG1 THR 6 HG1 THR 6 8.914 -3.207 -3.207
39 1HG2 THR 6 HG23 THR 6 7.064 -1.455 -1.455
40 2HG2 THR 6 HG22 THR 6 8.352 -1.490 -1.490
41 3HG2 THR 6 HG21 THR 6 8.631 -2.157 -2.157
42 H CYS 7 HN CYS 7 4.997 -1.605 -1.605
43 HA CYS 7 HA CYS 7 3.622 -3.685 -3.685
44 1HB CYS 7 HB2 CYS 7 3.024 -0.798 -0.798
45 2HB CYS 7 HB1 CYS 7 2.415 -1.528 -1.528
46 H THR 8 HN THR 8 6.011 -1.115 -1.115
47 HA THR 8 HA THR 8 6.070 -0.679 -0.679
48 HB THR 8 HB THR 8 7.048 0.949 0.949
49 HG1 THR 8 HG1 THR 8 8.752 1.312 1.312
50 1HG2 THR 8 HG21 THR 8 8.699 -1.412 -1.412
51 2HG2 THR 8 HG23 THR 8 9.275 0.237 0.237
52 3HG2 THR 8 HG22 THR 8 7.765 -0.291 -0.291
53 H VAL 9 HN VAL 9 7.435 -1.533 -1.533
54 HA VAL 9 HA VAL 9 9.173 -3.796 -3.796
55 HB VAL 9 HB VAL 9 7.149 -3.910 -3.910
56 1HG1 VAL 9 HG13 VAL 9 9.280 -5.736 -5.736
57 2HG1 VAL 9 HG12 VAL 9 7.833 -6.434 -6.434
58 3HG1 VAL 9 HG11 VAL 9 8.868 -5.364 -5.364
59 1HG2 VAL 9 HG22 VAL 9 6.124 -3.970 -3.970
60 2HG2 VAL 9 HG21 VAL 9 5.877 -5.445 -5.445
61 3HG2 VAL 9 HG23 VAL 9 7.104 -5.395 -5.395
62 H ALA 10 HN ALA 10 10.347 -4.480 -4.480
63 HA ALA 10 HA ALA 10 11.870 -2.240 -2.240
64 1HB ALA 10 HB1 ALA 10 11.543 -5.042 -5.042
65 2HB ALA 10 HB3 ALA 10 12.399 -3.886 -3.886
66 3HB ALA 10 HB2 ALA 10 12.986 -4.229 -4.229
67 HA PRO 11 HA PRO 11 8.674 -0.111 -0.111
68 1HB PRO 11 HB2 PRO 11 11.008 1.086 1.086
69 2HB PRO 11 HB1 PRO 11 9.691 1.869 1.869
70 1HG PRO 11 HG2 PRO 11 12.327 1.355 1.355
71 2HG PRO 11 HG1 PRO 11 10.982 2.055 2.055
72 1HD PRO 11 HD2 PRO 11 12.174 -0.445 -0.445
73 2HD PRO 11 HD1 PRO 11 10.643 0.127 0.127
74 H ARG 12 HN ARG 12 11.545 -1.797 -1.797
75 HA ARG 12 HA ARG 12 10.463 -1.877 -1.877
76 1HB ARG 12 HB2 ARG 12 12.891 -3.124 -3.124
77 2HB ARG 12 HB1 ARG 12 12.470 -3.375 -3.375
78 1HG ARG 12 HG2 ARG 12 12.975 -1.208 -1.208
79 2HG ARG 12 HG1 ARG 12 12.543 -0.562 -0.562
80 1HD ARG 12 HD2 ARG 12 14.621 -0.984 -0.984
81 2HD ARG 12 HD1 ARG 12 14.882 -2.406 -2.406
82 HE ARG 12 HE ARG 12 15.509 0.355 0.355
83 1HH1 ARG 12 HH11 ARG 12 14.949 -2.911 -2.911
84 2HH1 ARG 12 HH12 ARG 12 15.817 -2.704 -2.704
85 1HH2 ARG 12 HH21 ARG 12 16.640 0.604 0.604
86 2HH2 ARG 12 HH22 ARG 12 16.769 -0.724 -0.724
87 H GLU 13 HN GLU 13 10.859 -4.130 -4.130
88 HA GLU 13 HA GLU 13 9.367 -6.166 -6.166
89 1HB GLU 13 HB2 GLU 13 11.163 -6.289 -6.289
90 2HB GLU 13 HB1 GLU 13 10.078 -7.619 -7.619
91 1HG GLU 13 HG2 GLU 13 11.102 -7.819 -7.819
92 2HG GLU 13 HG1 GLU 13 12.151 -6.442 -6.442
93 H ARG 14 HN ARG 14 7.743 -4.095 -4.095
94 HA ARG 14 HA ARG 14 6.533 -4.733 -4.733
95 1HB ARG 14 HB2 ARG 14 6.230 -2.546 -2.546
96 2HB ARG 14 HB1 ARG 14 4.929 -2.836 -2.836
97 1HG ARG 14 HG2 ARG 14 6.791 -2.790 -2.790
98 2HG ARG 14 HG1 ARG 14 7.783 -2.036 -2.036
99 1HD ARG 14 HD2 ARG 14 6.331 -0.170 -0.170
100 2HD ARG 14 HD1 ARG 14 5.035 -0.992 -0.992
101 HE ARG 14 HE ARG 14 7.384 -0.728 -0.728
102 1HH1 ARG 14 HH11 ARG 14 4.620 0.974 0.974
103 2HH1 ARG 14 HH12 ARG 14 4.557 2.113 2.113
104 1HH2 ARG 14 HH21 ARG 14 7.287 0.776 0.776
105 2HH2 ARG 14 HH22 ARG 14 6.062 2.000 2.000
106 H GLN 15 HN GLN 15 4.596 -5.848 -5.848
107 HA GLN 15 HA GLN 15 3.583 -7.239 -7.239
108 1HB GLN 15 HB2 GLN 15 3.736 -7.951 -7.951
109 2HB GLN 15 HB1 GLN 15 2.100 -7.290 -7.290
110 1HG GLN 15 HG2 GLN 15 1.687 -9.500 -9.500
111 2HG GLN 15 HG1 GLN 15 1.842 -8.738 -8.738
112 1HE2 GLN 15 HE22 GLN 15 5.056 -10.217 -10.217
113 2HE2 GLN 15 HE21 GLN 15 4.109 -8.849 -8.849
114 H ASN 16 HN ASN 16 2.425 -5.929 -5.929
115 HA ASN 16 HA ASN 16 0.889 -3.685 -3.685
116 1HB ASN 16 HB2 ASN 16 1.760 -4.380 -4.380
117 2HB ASN 16 HB1 ASN 16 0.276 -5.329 -5.329
118 1HD2 ASN 16 HD22 ASN 16 0.056 -1.445 -1.445
119 2HD2 ASN 16 HD21 ASN 16 1.490 -2.353 -2.353
120 H CYS 17 HN CYS 17 -0.933 -3.728 -3.728
121 HA CYS 17 HA CYS 17 -2.571 -6.169 -6.169
122 1HB CYS 17 HB2 CYS 17 -1.902 -4.997 -4.997
123 2HB CYS 17 HB1 CYS 17 -2.866 -3.614 -3.614
124 H GLY 18 HN GLY 18 -2.460 -3.200 -3.200
125 1HA GLY 18 HA2 GLY 18 -4.659 -3.588 -3.588
126 2HA GLY 18 HA1 GLY 18 -5.296 -2.716 -2.716
127 H PHE 19 HN PHE 19 -5.497 -1.346 -1.346
128 HA PHE 19 HA PHE 19 -3.189 0.167 0.167
129 1HB PHE 19 HB2 PHE 19 -4.925 1.775 1.775
130 2HB PHE 19 HB1 PHE 19 -4.936 0.127 0.127
131 HD1 PHE 19 HD1 PHE 19 -6.646 -1.514 -1.514
132 HD2 PHE 19 HD2 PHE 19 -6.823 2.685 2.685
133 HE1 PHE 19 HE1 PHE 19 -9.030 -1.752 -1.752
134 HE2 PHE 19 HE2 PHE 19 -9.212 2.445 2.445
135 HZ PHE 19 HZ PHE 19 -10.312 0.227 0.227
136 HA PRO 20 HA PRO 20 -3.111 3.258 3.258
137 1HB PRO 20 HB2 PRO 20 -2.378 5.496 5.496
138 2HB PRO 20 HB1 PRO 20 -1.279 4.251 4.251
139 1HG PRO 20 HG2 PRO 20 -1.988 4.810 4.810
140 2HG PRO 20 HG1 PRO 20 -0.870 3.585 3.585
141 1HD PRO 20 HD2 PRO 20 -3.624 3.259 3.259
142 2HD PRO 20 HD1 PRO 20 -2.374 2.028 2.028
143 H GLY 21 HN GLY 21 -5.052 4.118 4.118
144 1HA GLY 21 HA2 GLY 21 -6.309 6.431 6.431
145 2HA GLY 21 HA1 GLY 21 -7.025 5.319 5.319
146 H VAL 22 HN VAL 22 -6.458 3.233 3.233
147 HA VAL 22 HA VAL 22 -9.142 3.058 3.058
148 HB VAL 22 HB VAL 22 -8.209 1.548 1.548
149 1HG1 VAL 22 HG12 VAL 22 -8.705 0.809 0.809
150 2HG1 VAL 22 HG11 VAL 22 -6.993 1.042 1.042
151 3HG1 VAL 22 HG13 VAL 22 -7.489 -0.161 -0.161
152 1HG2 VAL 22 HG21 VAL 22 -5.623 2.591 2.591
153 2HG2 VAL 22 HG23 VAL 22 -6.115 2.554 2.554
154 3HG2 VAL 22 HG22 VAL 22 -5.705 1.054 1.054
155 H THR 23 HN THR 23 -9.271 2.896 2.896
156 HA THR 23 HA THR 23 -8.162 5.371 5.371
157 HB THR 23 HB THR 23 -10.652 5.678 5.678
158 HG1 THR 23 HG1 THR 23 -12.147 4.962 4.962
159 1HG2 THR 23 HG22 THR 23 -9.554 6.565 6.565
160 2HG2 THR 23 HG21 THR 23 -11.035 7.223 7.223
161 3HG2 THR 23 HG23 THR 23 -9.497 7.440 7.440
162 HA PRO 24 HA PRO 24 -7.516 3.422 3.422
163 1HB PRO 24 HB2 PRO 24 -9.688 4.953 4.953
164 2HB PRO 24 HB1 PRO 24 -7.950 4.979 4.979
165 1HG PRO 24 HG2 PRO 24 -9.499 6.826 6.826
166 2HG PRO 24 HG1 PRO 24 -7.781 6.901 6.901
167 1HD PRO 24 HD2 PRO 24 -8.738 6.500 6.500
168 2HD PRO 24 HD1 PRO 24 -7.128 5.997 5.997
169 H SER 25 HN SER 25 -10.887 3.773 3.773
170 HA SER 25 HA SER 25 -11.922 1.729 1.729
171 1HB SER 25 HB2 SER 25 -13.943 1.904 1.904
172 2HB SER 25 HB1 SER 25 -13.382 3.485 3.485
173 HG SER 25 HG SER 25 -13.879 2.934 2.934
174 H GLN 26 HN GLN 26 -11.159 1.838 1.838
175 HA GLN 26 HA GLN 26 -11.767 -0.876 -0.876
176 1HB GLN 26 HB2 GLN 26 -10.047 1.191 1.191
177 2HB GLN 26 HB1 GLN 26 -10.016 -0.480 -0.480
178 1HG GLN 26 HG2 GLN 26 -12.589 -0.324 -0.324
179 2HG GLN 26 HG1 GLN 26 -12.359 1.419 1.419
180 1HE2 GLN 26 HE22 GLN 26 -11.886 1.645 1.645
181 2HE2 GLN 26 HE21 GLN 26 -12.566 2.301 2.301
182 H CYS 27 HN CYS 27 -8.629 0.703 0.703
183 HA CYS 27 HA CYS 27 -7.112 -1.700 -1.700
184 1HB CYS 27 HB2 CYS 27 -6.341 0.800 0.800
185 2HB CYS 27 HB1 CYS 27 -6.449 0.607 0.607
186 H ALA 28 HN ALA 28 -9.188 -0.214 -0.214
187 HA ALA 28 HA ALA 28 -8.223 -2.004 -2.004
188 1HB ALA 28 HB3 ALA 28 -10.481 0.016 0.016
189 2HB ALA 28 HB2 ALA 28 -9.946 -0.869 -0.869
190 3HB ALA 28 HB1 ALA 28 -8.863 0.283 0.283
191 H ASN 29 HN ASN 29 -10.337 -2.290 -2.290
192 HA ASN 29 HA ASN 29 -12.450 -3.769 -3.769
193 1HB ASN 29 HB2 ASN 29 -12.552 -2.548 -2.548
194 2HB ASN 29 HB1 ASN 29 -11.692 -3.942 -3.942
195 1HD2 ASN 29 HD22 ASN 29 -15.620 -4.240 -4.240
196 2HD2 ASN 29 HD21 ASN 29 -14.753 -2.785 -2.785
197 H LYS 30 HN LYS 30 -9.312 -4.556 -4.556
198 HA LYS 30 HA LYS 30 -9.892 -7.435 -7.435
199 1HB LYS 30 HB2 LYS 30 -7.829 -5.891 -5.891
200 2HB LYS 30 HB1 LYS 30 -7.596 -7.599 -7.599
201 1HG LYS 30 HG2 LYS 30 -10.222 -6.728 -6.728
202 2HG LYS 30 HG1 LYS 30 -8.832 -6.862 -6.862
203 1HD LYS 30 HD2 LYS 30 -8.503 -9.180 -9.180
204 2HD LYS 30 HD1 LYS 30 -9.717 -9.075 -9.075
205 1HE LYS 30 HE2 LYS 30 -11.018 -9.990 -9.990
206 2HE LYS 30 HE1 LYS 30 -11.251 -8.280 -8.280
207 1HZ LYS 30 HZ3 LYS 30 -8.930 -9.549 -9.549
208 2HZ LYS 30 HZ2 LYS 30 -10.438 -10.043 -10.043
209 3HZ LYS 30 HZ1 LYS 30 -9.992 -8.405 -8.405
210 H GLY 31 HN GLY 31 -7.596 -4.859 -4.859
211 1HA GLY 31 HA2 GLY 31 -6.885 -4.925 -4.925
212 2HA GLY 31 HA1 GLY 31 -6.654 -6.661 -6.661
213 H CYS 32 HN CYS 32 -5.770 -4.077 -4.077
214 HA CYS 32 HA CYS 32 -2.988 -5.068 -5.068
215 1HB CYS 32 HB2 CYS 32 -4.569 -3.571 -3.571
216 2HB CYS 32 HB1 CYS 32 -2.809 -3.662 -3.662
217 H CYS 33 HN CYS 33 -1.299 -3.678 -3.678
218 HA CYS 33 HA CYS 33 -1.941 -1.402 -1.402
219 1HB CYS 33 HB2 CYS 33 0.686 -2.288 -2.288
220 2HB CYS 33 HB1 CYS 33 0.528 -1.010 -1.010
221 H PHE 34 HN PHE 34 -2.651 0.532 0.532
222 HA PHE 34 HA PHE 34 -1.973 1.307 1.307
223 1HB PHE 34 HB2 PHE 34 -4.326 1.496 1.496
224 2HB PHE 34 HB1 PHE 34 -3.745 2.730 2.730
225 HD1 PHE 34 HD2 PHE 34 -2.687 4.834 4.834
226 HD2 PHE 34 HD1 PHE 34 -4.753 2.003 2.003
227 HE1 PHE 34 HE2 PHE 34 -2.888 6.545 6.545
228 HE2 PHE 34 HE1 PHE 34 -4.953 3.713 3.713
229 HZ PHE 34 HZ PHE 34 -4.019 5.984 5.984
230 H ASP 35 HN ASP 35 -0.209 2.601 2.601
231 HA ASP 35 HA ASP 35 0.506 4.536 4.536
232 1HB ASP 35 HB2 ASP 35 1.986 2.486 2.486
233 2HB ASP 35 HB1 ASP 35 2.515 2.909 2.909
234 H ASP 36 HN ASP 36 0.402 6.553 6.553
235 HA ASP 36 HA ASP 36 0.994 6.800 6.800
236 1HB ASP 36 HB2 ASP 36 -0.329 8.926 8.926
237 2HB ASP 36 HB1 ASP 36 -1.278 7.486 7.486
238 H THR 37 HN THR 37 3.321 6.696 6.696
239 HA THR 37 HA THR 37 4.091 9.457 9.457
240 HB THR 37 HB THR 37 6.129 8.323 8.323
241 HG1 THR 37 HG1 THR 37 5.918 6.075 6.075
242 1HG2 THR 37 HG22 THR 37 4.160 8.996 8.996
243 2HG2 THR 37 HG21 THR 37 3.457 7.401 7.401
244 3HG2 THR 37 HG23 THR 37 4.958 7.558 7.558
245 H VAL 38 HN VAL 38 5.246 6.549 6.549
246 HA VAL 38 HA VAL 38 7.010 8.317 8.317
247 HB VAL 38 HB VAL 38 6.857 5.288 5.288
248 1HG1 VAL 38 HG11 VAL 38 8.650 7.314 7.314
249 2HG1 VAL 38 HG13 VAL 38 9.286 5.725 5.725
250 3HG1 VAL 38 HG12 VAL 38 7.929 5.857 5.857
251 1HG2 VAL 38 HG22 VAL 38 8.752 7.194 7.194
252 2HG2 VAL 38 HG21 VAL 38 7.514 6.209 6.209
253 3HG2 VAL 38 HG23 VAL 38 8.888 5.435 5.435
254 H ARG 39 HN ARG 39 6.567 8.763 8.763
255 HA ARG 39 HA ARG 39 4.024 7.819 7.819
256 1HB ARG 39 HB2 ARG 39 5.254 10.197 10.197
257 2HB ARG 39 HB1 ARG 39 5.910 9.437 9.437
258 1HG ARG 39 HG2 ARG 39 3.956 10.310 10.310
259 2HG ARG 39 HG1 ARG 39 3.373 8.730 8.730
260 1HD ARG 39 HD2 ARG 39 2.684 9.750 9.750
261 2HD ARG 39 HD1 ARG 39 3.154 11.328 11.328
262 HE ARG 39 HE ARG 39 0.745 9.894 9.894
263 1HH1 ARG 39 HH21 ARG 39 3.171 12.069 12.069
264 2HH1 ARG 39 HH22 ARG 39 2.113 12.785 12.785
265 1HH2 ARG 39 HH11 ARG 39 -0.621 10.844 10.844
266 2HH2 ARG 39 HH12 ARG 39 -0.023 12.093 12.093
267 H GLY 40 HN GLY 40 4.151 7.265 7.265
268 1HA GLY 40 HA2 GLY 40 5.047 5.948 5.948
269 2HA GLY 40 HA1 GLY 40 6.530 5.786 5.786
270 H VAL 41 HN VAL 41 5.649 4.707 4.707
271 HA VAL 41 HA VAL 41 5.025 1.988 1.988
272 HB VAL 41 HB VAL 41 5.280 1.519 1.519
273 1HG1 VAL 41 HG13 VAL 41 7.217 1.697 1.697
274 2HG1 VAL 41 HG12 VAL 41 7.527 3.288 3.288
275 3HG1 VAL 41 HG11 VAL 41 7.637 1.846 1.846
276 1HG2 VAL 41 HG21 VAL 41 4.397 3.770 3.770
277 2HG2 VAL 41 HG23 VAL 41 5.903 3.308 3.308
278 3HG2 VAL 41 HG22 VAL 41 5.925 4.477 4.477
279 HA PRO 42 HA PRO 42 0.708 2.096 2.096
280 1HB PRO 42 HB2 PRO 42 0.432 -0.508 -0.508
281 2HB PRO 42 HB1 PRO 42 0.425 -0.034 -0.034
282 1HG PRO 42 HG2 PRO 42 2.374 -1.585 -1.585
283 2HG PRO 42 HG1 PRO 42 2.391 -1.063 -1.063
284 1HD PRO 42 HD2 PRO 42 3.825 0.076 0.076
285 2HD PRO 42 HD1 PRO 42 4.186 0.217 0.217
286 H TRP 43 HN TRP 43 -0.283 3.046 3.046
287 HA TRP 43 HA TRP 43 0.893 2.993 2.993
288 1HB TRP 43 HB2 TRP 43 -1.926 3.800 3.800
289 2HB TRP 43 HB1 TRP 43 -1.066 4.260 4.260
290 HD1 TRP 43 HD1 TRP 43 1.762 4.900 4.900
291 HE1 TRP 43 HE1 TRP 43 1.985 7.065 7.065
292 HE3 TRP 43 HE3 TRP 43 -3.165 5.855 5.855
293 HZ2 TRP 43 HZ2 TRP 43 0.299 8.951 8.951
294 HZ3 TRP 43 HZ3 TRP 43 -3.826 7.841 7.841
295 HH2 TRP 43 HH2 TRP 43 -2.102 9.390 9.390
296 H CYS 44 HN CYS 44 -1.812 1.200 1.200
297 HA CYS 44 HA CYS 44 -2.361 -0.166 -0.166
298 1HB CYS 44 HB2 CYS 44 -4.140 0.495 0.495
299 2HB CYS 44 HB1 CYS 44 -3.522 -0.843 -0.843
300 H PHE 45 HN PHE 45 -0.861 -1.707 -1.707
301 HA PHE 45 HA PHE 45 -0.297 -3.812 -3.812
302 1HB PHE 45 HB2 PHE 45 2.100 -3.639 -3.639
303 2HB PHE 45 HB1 PHE 45 1.486 -2.056 -2.056
304 HD1 PHE 45 HD1 PHE 45 0.712 -0.663 -0.663
305 HD2 PHE 45 HD2 PHE 45 3.865 -3.551 -3.551
306 HE1 PHE 45 HE1 PHE 45 1.851 0.315 0.315
307 HE2 PHE 45 HE2 PHE 45 5.006 -2.566 -2.566
308 HZ PHE 45 HZ PHE 45 3.998 -0.636 -0.636
309 H TYR 46 HN TYR 46 1.275 -5.505 -5.505
310 HA TYR 46 HA TYR 46 -0.182 -6.165 -6.165
311 1HB TYR 46 HB2 TYR 46 1.837 -7.546 -7.546
312 2HB TYR 46 HB1 TYR 46 1.535 -8.150 -8.150
313 HD1 TYR 46 HD1 TYR 46 0.037 -7.519 -7.519
314 HD2 TYR 46 HD2 TYR 46 -0.593 -9.141 -9.141
315 HE1 TYR 46 HE1 TYR 46 -2.043 -8.617 -8.617
316 HE2 TYR 46 HE2 TYR 46 -2.673 -10.239 -10.239
317 HH TYR 46 HH TYR 46 -3.772 -9.889 -9.889
318 HA PRO 47 HA PRO 47 3.055 -4.969 -4.969
319 1HB PRO 47 HB2 PRO 47 2.506 -6.789 -6.789
320 2HB PRO 47 HB1 PRO 47 1.547 -5.343 -5.343
321 1HG PRO 47 HG2 PRO 47 0.771 -8.072 -8.072
322 2HG PRO 47 HG1 PRO 47 -0.179 -6.621 -6.621
323 1HD PRO 47 HD2 PRO 47 1.368 -8.357 -8.357
324 2HD PRO 47 HD1 PRO 47 -0.022 -7.302 -7.302
325 H ASN 48 HN ASN 48 4.498 -6.315 -6.315
326 HA ASN 48 HA ASN 48 5.664 -8.769 -8.769
327 1HB ASN 48 HB2 ASN 48 6.831 -6.199 -6.199
328 2HB ASN 48 HB1 ASN 48 7.978 -7.330 -7.330
329 1HD2 ASN 48 HD22 ASN 48 7.633 -9.749 -9.749
330 2HD2 ASN 48 HD21 ASN 48 8.066 -9.551 -9.551
331 H THR 49 HN THR 49 4.999 -9.006 -9.006
332 HA THR 49 HA THR 49 6.678 -7.526 -7.526
333 HB THR 49 HB THR 49 5.164 -8.385 -8.385
334 HG1 THR 49 HG1 THR 49 4.838 -10.317 -10.317
335 1HG2 THR 49 HG21 THR 49 3.881 -7.304 -7.304
336 2HG2 THR 49 HG23 THR 49 2.937 -7.607 -7.607
337 3HG2 THR 49 HG22 THR 49 4.266 -6.448 -6.448
338 H ILE 50 HN ILE 50 8.283 -8.516 -8.516
339 HA ILE 50 HA ILE 50 8.985 -11.260 -11.260
340 HB ILE 50 HB ILE 50 10.492 -9.416 -9.416
341 1HG1 ILE 50 HG12 ILE 50 10.971 -9.731 -9.731
342 2HG1 ILE 50 HG11 ILE 50 10.027 -8.402 -8.402
343 1HG2 ILE 50 HG22 ILE 50 11.199 -11.862 -11.862
344 2HG2 ILE 50 HG21 ILE 50 12.417 -10.814 -10.814
345 3HG2 ILE 50 HG23 ILE 50 11.276 -11.682 -11.682
346 1HD1 ILE 50 HD13 ILE 50 12.163 -8.170 -8.170
347 2HD1 ILE 50 HD12 ILE 50 12.958 -8.940 -8.940
348 3HD1 ILE 50 HD11 ILE 50 12.110 -7.408 -7.408
349 H ASP 51 HN ASP 51 9.770 -12.700 -12.700
350 HA ASP 51 HA ASP 51 7.548 -12.835 -12.835
351 1HB ASP 51 HB2 ASP 51 10.057 -14.508 -14.508
352 2HB ASP 51 HB1 ASP 51 8.757 -14.862 -14.862
353 H VAL 52 HN VAL 52 8.209 -13.378 -13.378
354 HA VAL 52 HA VAL 52 10.177 -11.322 -11.322
355 HB VAL 52 HB VAL 52 8.731 -11.018 -11.018
356 1HG1 VAL 52 HG13 VAL 52 8.539 -9.719 -9.719
357 2HG1 VAL 52 HG12 VAL 52 7.031 -10.612 -10.612
358 3HG1 VAL 52 HG11 VAL 52 7.251 -9.541 -9.541
359 1HG2 VAL 52 HG23 VAL 52 7.665 -13.316 -13.316
360 2HG2 VAL 52 HG22 VAL 52 6.538 -12.002 -12.002
361 3HG2 VAL 52 HG21 VAL 52 6.694 -12.639 -12.639
362 HA PRO 53 HA PRO 53 12.671 -14.036 -14.036
363 1HB PRO 53 HB2 PRO 53 11.856 -12.951 -12.951
364 2HB PRO 53 HB1 PRO 53 13.401 -12.780 -12.780
365 1HG PRO 53 HG2 PRO 53 11.178 -10.913 -10.913
366 2HG PRO 53 HG1 PRO 53 12.838 -10.642 -10.642
367 1HD PRO 53 HD2 PRO 53 10.685 -10.640 -10.640
368 2HD PRO 53 HD1 PRO 53 12.322 -11.097 -11.097
369 HA PRO 54 HA PRO 54 9.194 -15.569 -15.569
370 1HB PRO 54 HB2 PRO 54 6.897 -14.857 -14.857
371 2HB PRO 54 HB1 PRO 54 7.107 -14.664 -14.664
372 1HG PRO 54 HG2 PRO 54 7.405 -12.691 -12.691
373 2HG PRO 54 HG1 PRO 54 7.612 -12.502 -12.502
374 1HD PRO 54 HD2 PRO 54 9.653 -12.308 -12.308
375 2HD PRO 54 HD1 PRO 54 9.886 -12.650 -12.650
376 H GLU 55 HN GLU 55 9.053 -17.777 -17.777
377 HA GLU 55 HA GLU 55 9.180 -18.909 -18.909
378 1HB GLU 55 HB2 GLU 55 10.205 -19.822 -19.822
379 2HB GLU 55 HB1 GLU 55 8.591 -20.466 -20.466
380 1HG GLU 55 HG2 GLU 55 9.439 -22.251 -22.251
381 2HG GLU 55 HG1 GLU 55 8.894 -21.286 -21.286
382 H GLU 56 HN GLU 56 7.494 -19.757 -19.757
383 HA GLU 56 HA GLU 56 4.829 -19.818 -19.818
384 1HB GLU 56 HB2 GLU 56 3.900 -19.212 -19.212
385 2HB GLU 56 HB1 GLU 56 4.917 -17.947 -17.947
386 1HG GLU 56 HG2 GLU 56 6.757 -18.520 -18.520
387 2HG GLU 56 HG1 GLU 56 5.995 -20.033 -20.033
388 H GLU 57 HN GLU 57 3.451 -21.574 -21.574
389 HA GLU 57 HA GLU 57 4.908 -23.813 -23.813
390 1HB GLU 57 HB2 GLU 57 2.632 -23.607 -23.607
391 2HB GLU 57 HB1 GLU 57 2.796 -25.058 -25.058
392 1HG GLU 57 HG2 GLU 57 4.913 -25.583 -25.583
393 2HG GLU 57 HG1 GLU 57 5.139 -23.954 -23.954
394 H SER 58 HN SER 58 4.120 -24.794 -24.794
395 HA SER 58 HA SER 58 2.305 -23.260 -23.260
396 1HB SER 58 HB2 SER 58 3.219 -26.103 -26.103
397 2HB SER 58 HB1 SER 58 2.696 -24.919 -24.919
398 HG SER 58 HG SER 58 5.116 -25.356 -25.356
399 H GLU 59 HN GLU 59 0.098 -23.358 -23.358
400 HA GLU 59 HA GLU 59 -1.182 -25.931 -25.931
401 1HB GLU 59 HB2 GLU 59 -0.815 -24.341 -24.341
402 2HB GLU 59 HB1 GLU 59 -2.223 -23.514 -23.514
403 1HG GLU 59 HG2 GLU 59 -3.356 -25.795 -25.795
404 2HG GLU 59 HG1 GLU 59 -2.017 -26.404 -26.404
405 H PHE 60 HN PHE 60 -2.619 -26.214 -26.214
406 HA PHE 60 HA PHE 60 -4.307 -23.930 -23.930
407 1HB PHE 60 HB2 PHE 60 -2.242 -25.224 -25.224
408 2HB PHE 60 HB1 PHE 60 -3.822 -25.118 -25.118
409 HD1 PHE 60 HD1 PHE 60 -4.980 -22.868 -22.868
410 HD2 PHE 60 HD2 PHE 60 -0.873 -23.297 -23.297
411 HE1 PHE 60 HE1 PHE 60 -4.595 -20.464 -20.464
412 HE2 PHE 60 HE2 PHE 60 -0.488 -20.893 -20.893
413 HZ PHE 60 HZ PHE 60 -2.349 -19.475 -19.475
Start of MODEL 7
1 1H GLU 1 HT2 GLU 1 6.150 -19.320 -19.320
2 2H GLU 1 HT1 GLU 1 6.933 -20.749 -20.749
3 3H GLU 1 HT3 GLU 1 6.392 -19.648 -19.648
4 HA GLU 1 HA GLU 1 8.716 -19.406 -19.406
5 1HB GLU 1 HB2 GLU 1 8.009 -19.466 -19.466
6 2HB GLU 1 HB1 GLU 1 9.408 -18.514 -18.514
7 1HG GLU 1 HG2 GLU 1 10.507 -20.408 -20.408
8 2HG GLU 1 HG1 GLU 1 9.031 -21.372 -21.372
9 H ALA 2 HN ALA 2 9.809 -17.144 -17.144
10 HA ALA 2 HA ALA 2 8.024 -15.082 -15.082
11 1HB ALA 2 HB2 ALA 2 10.935 -15.274 -15.274
12 2HB ALA 2 HB1 ALA 2 10.186 -13.679 -13.679
13 3HB ALA 2 HB3 ALA 2 10.174 -14.734 -14.734
14 H GLN 3 HN GLN 3 6.527 -14.306 -14.306
15 HA GLN 3 HA GLN 3 7.555 -13.267 -13.267
16 1HB GLN 3 HB2 GLN 3 5.378 -15.336 -15.336
17 2HB GLN 3 HB1 GLN 3 5.425 -14.261 -14.261
18 1HG GLN 3 HG2 GLN 3 7.576 -15.072 -15.072
19 2HG GLN 3 HG1 GLN 3 7.802 -15.923 -15.923
20 1HE2 GLN 3 HE21 GLN 3 5.841 -17.572 -17.572
21 2HE2 GLN 3 HE22 GLN 3 5.410 -18.526 -18.526
22 H THR 4 HN THR 4 6.743 -11.220 -11.220
23 HA THR 4 HA THR 4 4.193 -10.560 -10.560
24 HB THR 4 HB THR 4 5.294 -8.184 -8.184
25 HG1 THR 4 HG1 THR 4 7.578 -8.404 -8.404
26 1HG2 THR 4 HG21 THR 4 4.765 -9.884 -9.884
27 2HG2 THR 4 HG23 THR 4 6.493 -10.233 -10.233
28 3HG2 THR 4 HG22 THR 4 5.929 -8.603 -8.603
29 H GLU 5 HN GLU 5 3.279 -8.403 -8.403
30 HA GLU 5 HA GLU 5 3.210 -8.816 -8.816
31 1HB GLU 5 HB2 GLU 5 1.555 -7.309 -7.309
32 2HB GLU 5 HB1 GLU 5 1.474 -6.852 -6.852
33 1HG GLU 5 HG2 GLU 5 -0.192 -8.471 -8.471
34 2HG GLU 5 HG1 GLU 5 1.200 -9.456 -9.456
35 H THR 6 HN THR 6 4.181 -7.438 -7.438
36 HA THR 6 HA THR 6 5.060 -4.788 -4.788
37 HB THR 6 HB THR 6 7.065 -6.433 -6.433
38 HG1 THR 6 HG1 THR 6 6.543 -7.795 -7.795
39 1HG2 THR 6 HG23 THR 6 7.049 -3.885 -3.885
40 2HG2 THR 6 HG22 THR 6 7.715 -4.678 -4.678
41 3HG2 THR 6 HG21 THR 6 8.527 -4.838 -4.838
42 H CYS 7 HN CYS 7 4.003 -3.548 -3.548
43 HA CYS 7 HA CYS 7 3.951 -4.498 -4.498
44 1HB CYS 7 HB2 CYS 7 2.551 -2.139 -2.139
45 2HB CYS 7 HB1 CYS 7 2.325 -2.690 -2.690
46 H THR 8 HN THR 8 6.513 -3.763 -3.763
47 HA THR 8 HA THR 8 6.873 -1.150 -1.150
48 HB THR 8 HB THR 8 7.378 -0.891 -0.891
49 HG1 THR 8 HG1 THR 8 9.959 -1.079 -1.079
50 1HG2 THR 8 HG22 THR 8 8.050 -3.547 -3.547
51 2HG2 THR 8 HG21 THR 8 9.639 -2.783 -2.783
52 3HG2 THR 8 HG23 THR 8 8.442 -2.446 -2.446
53 H VAL 9 HN VAL 9 7.145 -2.368 -2.368
54 HA VAL 9 HA VAL 9 9.674 -3.915 -3.915
55 HB VAL 9 HB VAL 9 7.391 -3.881 -3.881
56 1HG1 VAL 9 HG13 VAL 9 9.991 -5.375 -5.375
57 2HG1 VAL 9 HG12 VAL 9 8.625 -6.111 -6.111
58 3HG1 VAL 9 HG11 VAL 9 9.301 -4.586 -4.586
59 1HG2 VAL 9 HG21 VAL 9 6.883 -4.848 -4.848
60 2HG2 VAL 9 HG23 VAL 9 6.651 -5.945 -5.945
61 3HG2 VAL 9 HG22 VAL 9 8.095 -6.079 -6.079
62 H ALA 10 HN ALA 10 10.778 -3.631 -3.631
63 HA ALA 10 HA ALA 10 11.342 -0.833 -0.833
64 1HB ALA 10 HB3 ALA 10 12.820 -2.994 -2.994
65 2HB ALA 10 HB2 ALA 10 12.153 -2.802 -2.802
66 3HB ALA 10 HB1 ALA 10 13.085 -1.495 -1.495
67 HA PRO 11 HA PRO 11 8.021 0.601 0.601
68 1HB PRO 11 HB2 PRO 11 10.097 1.867 1.867
69 2HB PRO 11 HB1 PRO 11 8.779 2.610 2.610
70 1HG PRO 11 HG2 PRO 11 11.535 2.407 2.407
71 2HG PRO 11 HG1 PRO 11 10.218 3.157 3.157
72 1HD PRO 11 HD2 PRO 11 11.588 0.861 0.861
73 2HD PRO 11 HD1 PRO 11 9.999 1.356 1.356
74 H ARG 12 HN ARG 12 11.019 -0.698 -0.698
75 HA ARG 12 HA ARG 12 9.653 -1.325 -1.325
76 1HB ARG 12 HB2 ARG 12 12.379 -2.234 -2.234
77 2HB ARG 12 HB1 ARG 12 11.787 -2.241 -2.241
78 1HG ARG 12 HG2 ARG 12 12.655 -0.172 -0.172
79 2HG ARG 12 HG1 ARG 12 11.406 0.403 0.403
80 1HD ARG 12 HD2 ARG 12 13.418 1.119 1.119
81 2HD ARG 12 HD1 ARG 12 13.010 -0.354 -0.354
82 HE ARG 12 HE ARG 12 14.655 -0.981 -0.981
83 1HH1 ARG 12 HH11 ARG 12 14.730 0.481 0.481
84 2HH1 ARG 12 HH12 ARG 12 16.393 0.088 0.088
85 1HH2 ARG 12 HH21 ARG 12 16.831 -1.486 -1.486
86 2HH2 ARG 12 HH22 ARG 12 17.577 -1.021 -1.021
87 H GLU 13 HN GLU 13 10.826 -3.127 -3.127
88 HA GLU 13 HA GLU 13 9.880 -5.650 -5.650
89 1HB GLU 13 HB2 GLU 13 11.084 -4.929 -4.929
90 2HB GLU 13 HB1 GLU 13 10.653 -6.569 -6.569
91 1HG GLU 13 HG2 GLU 13 12.134 -6.139 -6.139
92 2HG GLU 13 HG1 GLU 13 12.771 -4.764 -4.764
93 H ARG 14 HN ARG 14 7.794 -3.743 -3.743
94 HA ARG 14 HA ARG 14 6.306 -4.588 -4.588
95 1HB ARG 14 HB2 ARG 14 5.875 -2.364 -2.364
96 2HB ARG 14 HB1 ARG 14 4.699 -2.776 -2.776
97 1HG ARG 14 HG2 ARG 14 6.837 -2.593 -2.593
98 2HG ARG 14 HG1 ARG 14 7.404 -1.537 -1.537
99 1HD ARG 14 HD2 ARG 14 5.460 -0.117 -0.117
100 2HD ARG 14 HD1 ARG 14 4.709 -1.236 -1.236
101 HE ARG 14 HE ARG 14 7.044 -0.621 -0.621
102 1HH1 ARG 14 HH11 ARG 14 4.551 1.303 1.303
103 2HH1 ARG 14 HH12 ARG 14 4.789 2.661 2.661
104 1HH2 ARG 14 HH21 ARG 14 7.338 1.172 1.172
105 2HH2 ARG 14 HH22 ARG 14 6.360 2.587 2.587
106 H GLN 15 HN GLN 15 4.159 -5.490 -5.490
107 HA GLN 15 HA GLN 15 3.732 -6.788 -6.788
108 1HB GLN 15 HB2 GLN 15 3.213 -7.552 -7.552
109 2HB GLN 15 HB1 GLN 15 1.990 -8.038 -8.038
110 1HG GLN 15 HG2 GLN 15 3.306 -9.725 -9.725
111 2HG GLN 15 HG1 GLN 15 4.567 -8.576 -8.576
112 1HE2 GLN 15 HE22 GLN 15 6.163 -8.889 -8.889
113 2HE2 GLN 15 HE21 GLN 15 5.663 -7.652 -7.652
114 H ASN 16 HN ASN 16 2.411 -5.445 -5.445
115 HA ASN 16 HA ASN 16 0.576 -3.579 -3.579
116 1HB ASN 16 HB2 ASN 16 1.460 -3.796 -3.796
117 2HB ASN 16 HB1 ASN 16 0.242 -5.051 -5.051
118 1HD2 ASN 16 HD22 ASN 16 -1.287 -1.353 -1.353
119 2HD2 ASN 16 HD21 ASN 16 0.032 -1.957 -1.957
120 H CYS 17 HN CYS 17 -1.258 -3.933 -3.933
121 HA CYS 17 HA CYS 17 -2.563 -6.563 -6.563
122 1HB CYS 17 HB2 CYS 17 -1.976 -5.119 -5.119
123 2HB CYS 17 HB1 CYS 17 -3.540 -4.394 -4.394
124 H GLY 18 HN GLY 18 -2.916 -3.300 -3.300
125 1HA GLY 18 HA2 GLY 18 -5.191 -3.963 -3.963
126 2HA GLY 18 HA1 GLY 18 -5.667 -2.968 -2.968
127 H PHE 19 HN PHE 19 -6.110 -1.707 -1.707
128 HA PHE 19 HA PHE 19 -3.850 -0.365 -0.365
129 1HB PHE 19 HB2 PHE 19 -5.623 1.269 1.269
130 2HB PHE 19 HB1 PHE 19 -5.796 -0.410 -0.410
131 HD1 PHE 19 HD2 PHE 19 -7.441 -1.901 -1.901
132 HD2 PHE 19 HD1 PHE 19 -7.323 2.361 2.361
133 HE1 PHE 19 HE2 PHE 19 -9.731 -1.957 -1.957
134 HE2 PHE 19 HE1 PHE 19 -9.621 2.304 2.304
135 HZ PHE 19 HZ PHE 19 -10.821 0.146 0.146
136 HA PRO 20 HA PRO 20 -3.211 2.892 2.892
137 1HB PRO 20 HB2 PRO 20 -2.555 4.986 4.986
138 2HB PRO 20 HB1 PRO 20 -1.457 3.714 3.714
139 1HG PRO 20 HG2 PRO 20 -2.477 4.154 4.154
140 2HG PRO 20 HG1 PRO 20 -1.360 2.898 2.898
141 1HD PRO 20 HD2 PRO 20 -4.229 2.698 2.698
142 2HD PRO 20 HD1 PRO 20 -3.027 1.406 1.406
143 H GLY 21 HN GLY 21 -5.456 3.697 3.697
144 1HA GLY 21 HA2 GLY 21 -6.442 6.145 6.145
145 2HA GLY 21 HA1 GLY 21 -7.368 5.004 5.004
146 H VAL 22 HN VAL 22 -6.622 3.036 3.036
147 HA VAL 22 HA VAL 22 -9.166 3.131 3.131
148 HB VAL 22 HB VAL 22 -8.115 1.636 1.636
149 1HG1 VAL 22 HG12 VAL 22 -8.988 0.837 0.837
150 2HG1 VAL 22 HG11 VAL 22 -7.325 0.886 0.886
151 3HG1 VAL 22 HG13 VAL 22 -7.763 -0.202 -0.202
152 1HG2 VAL 22 HG21 VAL 22 -5.642 2.419 2.419
153 2HG2 VAL 22 HG23 VAL 22 -5.898 2.461 2.461
154 3HG2 VAL 22 HG22 VAL 22 -5.720 0.914 0.914
155 H THR 23 HN THR 23 -8.937 3.106 3.106
156 HA THR 23 HA THR 23 -7.513 5.537 5.537
157 HB THR 23 HB THR 23 -9.585 6.403 6.403
158 HG1 THR 23 HG1 THR 23 -11.540 5.459 5.459
159 1HG2 THR 23 HG23 THR 23 -8.786 6.983 6.983
160 2HG2 THR 23 HG22 THR 23 -10.152 6.001 6.001
161 3HG2 THR 23 HG21 THR 23 -10.427 7.434 7.434
162 HA PRO 24 HA PRO 24 -6.436 3.664 3.664
163 1HB PRO 24 HB2 PRO 24 -8.289 5.362 5.362
164 2HB PRO 24 HB1 PRO 24 -6.522 5.300 5.300
165 1HG PRO 24 HG2 PRO 24 -8.216 7.175 7.175
166 2HG PRO 24 HG1 PRO 24 -6.455 7.188 7.188
167 1HD PRO 24 HD2 PRO 24 -7.770 6.758 6.758
168 2HD PRO 24 HD1 PRO 24 -6.127 6.179 6.179
169 H SER 25 HN SER 25 -9.942 4.349 4.349
170 HA SER 25 HA SER 25 -10.759 2.288 2.288
171 1HB SER 25 HB2 SER 25 -13.015 2.678 2.678
172 2HB SER 25 HB1 SER 25 -12.296 4.073 4.073
173 HG SER 25 HG SER 25 -12.125 5.011 5.011
174 H GLN 26 HN GLN 26 -10.637 2.539 2.539
175 HA GLN 26 HA GLN 26 -11.678 -0.034 -0.034
176 1HB GLN 26 HB2 GLN 26 -9.781 1.746 1.746
177 2HB GLN 26 HB1 GLN 26 -10.404 0.227 0.227
178 1HG GLN 26 HG2 GLN 26 -12.738 1.255 1.255
179 2HG GLN 26 HG1 GLN 26 -11.861 2.780 2.780
180 1HE2 GLN 26 HE22 GLN 26 -13.226 1.165 1.165
181 2HE2 GLN 26 HE21 GLN 26 -13.849 0.886 0.886
182 H CYS 27 HN CYS 27 -8.240 1.052 1.052
183 HA CYS 27 HA CYS 27 -7.119 -1.520 -1.520
184 1HB CYS 27 HB2 CYS 27 -5.919 0.710 0.710
185 2HB CYS 27 HB1 CYS 27 -5.920 0.750 0.750
186 H ALA 28 HN ALA 28 -8.534 0.079 0.079
187 HA ALA 28 HA ALA 28 -7.425 -1.914 -1.914
188 1HB ALA 28 HB1 ALA 28 -9.249 0.472 0.472
189 2HB ALA 28 HB3 ALA 28 -8.829 -0.627 -0.627
190 3HB ALA 28 HB2 ALA 28 -7.570 0.315 0.315
191 H ASN 29 HN ASN 29 -10.046 -1.742 -1.742
192 HA ASN 29 HA ASN 29 -11.998 -3.088 -3.088
193 1HB ASN 29 HB2 ASN 29 -12.360 -1.582 -1.582
194 2HB ASN 29 HB1 ASN 29 -12.072 -3.082 -3.082
195 1HD2 ASN 29 HD21 ASN 29 -14.652 -1.519 -1.519
196 2HD2 ASN 29 HD22 ASN 29 -15.748 -2.639 -2.639
197 H LYS 30 HN LYS 30 -9.785 -4.040 -4.040
198 HA LYS 30 HA LYS 30 -10.569 -6.805 -6.805
199 1HB LYS 30 HB2 LYS 30 -8.242 -5.314 -5.314
200 2HB LYS 30 HB1 LYS 30 -8.368 -7.073 -7.073
201 1HG LYS 30 HG2 LYS 30 -10.796 -6.586 -6.586
202 2HG LYS 30 HG1 LYS 30 -10.147 -4.988 -4.988
203 1HD LYS 30 HD2 LYS 30 -8.463 -7.281 -7.281
204 2HD LYS 30 HD1 LYS 30 -9.987 -7.091 -7.091
205 1HE LYS 30 HE2 LYS 30 -8.266 -4.677 -4.677
206 2HE LYS 30 HE1 LYS 30 -7.831 -5.812 -5.812
207 1HZ LYS 30 HZ3 LYS 30 -10.521 -4.655 -4.655
208 2HZ LYS 30 HZ2 LYS 30 -9.313 -3.976 -3.976
209 3HZ LYS 30 HZ1 LYS 30 -9.912 -5.530 -5.530
210 H GLY 31 HN GLY 31 -7.770 -4.955 -4.955
211 1HA GLY 31 HA2 GLY 31 -7.136 -5.663 -5.663
212 2HA GLY 31 HA1 GLY 31 -7.145 -7.309 -7.309
213 H CYS 32 HN CYS 32 -6.022 -4.631 -4.631
214 HA CYS 32 HA CYS 32 -3.320 -5.823 -5.823
215 1HB CYS 32 HB2 CYS 32 -4.401 -3.706 -3.706
216 2HB CYS 32 HB1 CYS 32 -2.964 -4.699 -4.699
217 H CYS 33 HN CYS 33 -1.476 -4.524 -4.524
218 HA CYS 33 HA CYS 33 -1.959 -2.401 -2.401
219 1HB CYS 33 HB2 CYS 33 0.645 -3.018 -3.018
220 2HB CYS 33 HB1 CYS 33 0.439 -2.170 -2.170
221 H PHE 34 HN PHE 34 -2.235 -0.232 -0.232
222 HA PHE 34 HA PHE 34 -1.888 0.677 0.677
223 1HB PHE 34 HB2 PHE 34 -4.061 1.085 1.085
224 2HB PHE 34 HB1 PHE 34 -3.182 2.121 2.121
225 HD1 PHE 34 HD2 PHE 34 -3.548 1.613 1.613
226 HD2 PHE 34 HD1 PHE 34 -3.092 4.402 4.402
227 HE1 PHE 34 HE2 PHE 34 -3.714 3.498 3.498
228 HE2 PHE 34 HE1 PHE 34 -3.257 6.288 6.288
229 HZ PHE 34 HZ PHE 34 -3.567 5.835 5.835
230 H ASP 35 HN ASP 35 -0.364 2.254 2.254
231 HA ASP 35 HA ASP 35 0.942 3.803 3.803
232 1HB ASP 35 HB2 ASP 35 2.127 1.568 1.568
233 2HB ASP 35 HB1 ASP 35 2.611 1.910 1.910
234 H ASP 36 HN ASP 36 0.134 5.589 5.589
235 HA ASP 36 HA ASP 36 1.270 5.828 5.828
236 1HB ASP 36 HB2 ASP 36 -0.360 7.685 7.685
237 2HB ASP 36 HB1 ASP 36 -1.147 6.162 6.162
238 H THR 37 HN THR 37 3.442 6.275 6.275
239 HA THR 37 HA THR 37 3.599 9.026 9.026
240 HB THR 37 HB THR 37 5.769 8.318 8.318
241 HG1 THR 37 HG1 THR 37 5.009 5.812 5.812
242 1HG2 THR 37 HG23 THR 37 3.352 6.616 6.616
243 2HG2 THR 37 HG22 THR 37 4.813 6.629 6.629
244 3HG2 THR 37 HG21 THR 37 3.860 8.102 8.102
245 H VAL 38 HN VAL 38 4.586 6.878 6.878
246 HA VAL 38 HA VAL 38 6.171 9.116 9.116
247 HB VAL 38 HB VAL 38 6.751 6.160 6.160
248 1HG1 VAL 38 HG13 VAL 38 7.860 8.697 8.697
249 2HG1 VAL 38 HG12 VAL 38 9.008 7.418 7.418
250 3HG1 VAL 38 HG11 VAL 38 7.711 7.110 7.110
251 1HG2 VAL 38 HG21 VAL 38 7.729 8.221 8.221
252 2HG2 VAL 38 HG23 VAL 38 7.461 6.495 6.495
253 3HG2 VAL 38 HG22 VAL 38 8.892 7.052 7.052
254 H ARG 39 HN ARG 39 6.312 8.958 8.958
255 HA ARG 39 HA ARG 39 3.719 7.981 7.981
256 1HB ARG 39 HB2 ARG 39 5.026 10.477 10.477
257 2HB ARG 39 HB1 ARG 39 5.183 9.716 9.716
258 1HG ARG 39 HG2 ARG 39 2.539 9.772 9.772
259 2HG ARG 39 HG1 ARG 39 3.056 11.118 11.118
260 1HD ARG 39 HD2 ARG 39 3.532 9.218 9.218
261 2HD ARG 39 HD1 ARG 39 2.383 8.303 8.303
262 HE ARG 39 HE ARG 39 0.679 9.703 9.703
263 1HH1 ARG 39 HH21 ARG 39 3.820 11.038 11.038
264 2HH1 ARG 39 HH22 ARG 39 3.196 12.304 12.304
265 1HH2 ARG 39 HH11 ARG 39 -0.116 11.371 11.371
266 2HH2 ARG 39 HH12 ARG 39 0.978 12.491 12.491
267 H GLY 40 HN GLY 40 3.970 7.441 7.441
268 1HA GLY 40 HA2 GLY 40 4.962 6.138 6.138
269 2HA GLY 40 HA1 GLY 40 6.507 6.372 6.372
270 H VAL 41 HN VAL 41 4.677 5.329 5.329
271 HA VAL 41 HA VAL 41 5.141 2.463 2.463
272 HB VAL 41 HB VAL 41 5.609 2.203 2.203
273 1HG1 VAL 41 HG12 VAL 41 7.325 4.153 4.153
274 2HG1 VAL 41 HG11 VAL 41 7.843 3.349 3.349
275 3HG1 VAL 41 HG13 VAL 41 7.486 2.397 2.397
276 1HG2 VAL 41 HG22 VAL 41 5.493 5.235 5.235
277 2HG2 VAL 41 HG21 VAL 41 4.400 4.173 4.173
278 3HG2 VAL 41 HG23 VAL 41 6.096 4.286 4.286
279 HA PRO 42 HA PRO 42 0.950 1.807 1.807
280 1HB PRO 42 HB2 PRO 42 1.229 -0.729 -0.729
281 2HB PRO 42 HB1 PRO 42 1.055 -0.382 -0.382
282 1HG PRO 42 HG2 PRO 42 3.333 -1.427 -1.427
283 2HG PRO 42 HG1 PRO 42 3.164 -1.048 -1.048
284 1HD PRO 42 HD2 PRO 42 4.469 0.516 0.516
285 2HD PRO 42 HD1 PRO 42 4.693 0.600 0.600
286 H TRP 43 HN TRP 43 -0.186 2.571 2.571
287 HA TRP 43 HA TRP 43 1.163 2.747 2.747
288 1HB TRP 43 HB2 TRP 43 -1.698 3.517 3.517
289 2HB TRP 43 HB1 TRP 43 -0.687 4.112 4.112
290 HD1 TRP 43 HD1 TRP 43 1.948 4.657 4.657
291 HE1 TRP 43 HE1 TRP 43 1.971 6.684 6.684
292 HE3 TRP 43 HE3 TRP 43 -3.071 5.451 5.451
293 HZ2 TRP 43 HZ2 TRP 43 0.109 8.413 8.413
294 HZ3 TRP 43 HZ3 TRP 43 -3.920 7.293 7.293
295 HH2 TRP 43 HH2 TRP 43 -2.338 8.774 8.774
296 H CYS 44 HN CYS 44 -1.607 0.986 0.986
297 HA CYS 44 HA CYS 44 -2.119 -0.366 -0.366
298 1HB CYS 44 HB2 CYS 44 -3.924 0.347 0.347
299 2HB CYS 44 HB1 CYS 44 -3.356 -0.981 -0.981
300 H PHE 45 HN PHE 45 -0.860 -2.127 -2.127
301 HA PHE 45 HA PHE 45 -0.200 -4.045 -4.045
302 1HB PHE 45 HB2 PHE 45 2.163 -4.118 -4.118
303 2HB PHE 45 HB1 PHE 45 1.726 -2.481 -2.481
304 HD1 PHE 45 HD2 PHE 45 0.831 -0.972 -0.972
305 HD2 PHE 45 HD1 PHE 45 3.401 -4.386 -4.386
306 HE1 PHE 45 HE2 PHE 45 1.614 -0.132 -0.132
307 HE2 PHE 45 HE1 PHE 45 4.189 -3.547 -3.547
308 HZ PHE 45 HZ PHE 45 3.294 -1.420 -1.420
309 H TYR 46 HN TYR 46 0.941 -6.050 -6.050
310 HA TYR 46 HA TYR 46 -0.778 -6.924 -6.924
311 1HB TYR 46 HB2 TYR 46 1.303 -8.160 -8.160
312 2HB TYR 46 HB1 TYR 46 0.905 -8.969 -8.969
313 HD1 TYR 46 HD1 TYR 46 -1.471 -9.661 -9.661
314 HD2 TYR 46 HD2 TYR 46 -0.207 -8.166 -8.166
315 HE1 TYR 46 HE1 TYR 46 -3.518 -10.595 -10.595
316 HE2 TYR 46 HE2 TYR 46 -2.254 -9.100 -9.100
317 HH TYR 46 HH TYR 46 -4.716 -10.772 -10.772
318 HA PRO 47 HA PRO 47 2.216 -6.416 -6.416
319 1HB PRO 47 HB2 PRO 47 1.521 -8.595 -8.595
320 2HB PRO 47 HB1 PRO 47 0.620 -7.074 -7.074
321 1HG PRO 47 HG2 PRO 47 -0.209 -9.654 -9.654
322 2HG PRO 47 HG1 PRO 47 -1.096 -8.125 -8.125
323 1HD PRO 47 HD2 PRO 47 0.465 -9.518 -9.518
324 2HD PRO 47 HD1 PRO 47 -0.840 -8.324 -8.324
325 H ASN 48 HN ASN 48 4.125 -7.391 -7.391
326 HA ASN 48 HA ASN 48 5.120 -9.868 -9.868
327 1HB ASN 48 HB2 ASN 48 6.389 -7.154 -7.154
328 2HB ASN 48 HB1 ASN 48 7.427 -8.579 -8.579
329 1HD2 ASN 48 HD22 ASN 48 7.312 -8.349 -8.349
330 2HD2 ASN 48 HD21 ASN 48 8.237 -7.955 -7.955
331 H THR 49 HN THR 49 5.145 -11.226 -11.226
332 HA THR 49 HA THR 49 5.917 -10.179 -10.179
333 HB THR 49 HB THR 49 5.372 -12.431 -12.431
334 HG1 THR 49 HG1 THR 49 5.321 -12.945 -12.945
335 1HG2 THR 49 HG22 THR 49 3.535 -10.798 -10.798
336 2HG2 THR 49 HG21 THR 49 3.344 -11.505 -11.505
337 3HG2 THR 49 HG23 THR 49 3.017 -12.475 -12.475
338 H ILE 50 HN ILE 50 8.164 -9.637 -9.637
339 HA ILE 50 HA ILE 50 9.913 -11.943 -11.943
340 HB ILE 50 HB ILE 50 10.599 -8.990 -8.990
341 1HG1 ILE 50 HG12 ILE 50 10.098 -10.752 -10.752
342 2HG1 ILE 50 HG11 ILE 50 8.931 -9.592 -9.592
343 1HG2 ILE 50 HG23 ILE 50 12.075 -11.390 -11.390
344 2HG2 ILE 50 HG22 ILE 50 12.618 -9.714 -9.714
345 3HG2 ILE 50 HG21 ILE 50 12.508 -10.516 -10.516
346 1HD1 ILE 50 HD11 ILE 50 11.701 -8.615 -8.615
347 2HD1 ILE 50 HD13 ILE 50 10.644 -8.916 -8.916
348 3HD1 ILE 50 HD12 ILE 50 10.162 -7.764 -7.764
349 H ASP 51 HN ASP 51 11.813 -12.295 -12.295
350 HA ASP 51 HA ASP 51 11.191 -11.823 -11.823
351 1HB ASP 51 HB2 ASP 51 12.167 -13.981 -13.981
352 2HB ASP 51 HB1 ASP 51 13.686 -13.100 -13.100
353 H VAL 52 HN VAL 52 12.232 -10.364 -10.364
354 HA VAL 52 HA VAL 52 14.292 -8.655 -8.655
355 HB VAL 52 HB VAL 52 13.548 -6.907 -6.907
356 1HG1 VAL 52 HG12 VAL 52 11.388 -8.072 -8.072
357 2HG1 VAL 52 HG11 VAL 52 11.401 -6.428 -6.428
358 3HG1 VAL 52 HG13 VAL 52 12.646 -6.942 -6.942
359 1HG2 VAL 52 HG22 VAL 52 11.798 -9.171 -9.171
360 2HG2 VAL 52 HG21 VAL 52 12.504 -7.876 -7.876
361 3HG2 VAL 52 HG23 VAL 52 11.072 -7.564 -7.564
362 HA PRO 53 HA PRO 53 16.550 -11.420 -11.420
363 1HB PRO 53 HB2 PRO 53 18.858 -10.046 -10.046
364 2HB PRO 53 HB1 PRO 53 18.452 -11.766 -11.766
365 1HG PRO 53 HG2 PRO 53 18.091 -9.776 -9.776
366 2HG PRO 53 HG1 PRO 53 17.923 -11.537 -11.537
367 1HD PRO 53 HD2 PRO 53 15.812 -9.798 -9.798
368 2HD PRO 53 HD1 PRO 53 15.661 -11.473 -11.473
369 HA PRO 54 HA PRO 54 18.970 -7.170 -7.170
370 1HB PRO 54 HB2 PRO 54 16.910 -5.293 -5.293
371 2HB PRO 54 HB1 PRO 54 18.668 -5.203 -5.203
372 1HG PRO 54 HG2 PRO 54 16.731 -6.003 -6.003
373 2HG PRO 54 HG1 PRO 54 18.484 -5.842 -5.842
374 1HD PRO 54 HD2 PRO 54 17.106 -8.236 -8.236
375 2HD PRO 54 HD1 PRO 54 18.836 -8.080 -8.080
376 H GLU 55 HN GLU 55 18.343 -6.077 -6.077
377 HA GLU 55 HA GLU 55 16.036 -7.275 -7.275
378 1HB GLU 55 HB2 GLU 55 16.773 -5.908 -5.908
379 2HB GLU 55 HB1 GLU 55 18.060 -6.918 -6.918
380 1HG GLU 55 HG2 GLU 55 19.139 -5.091 -5.091
381 2HG GLU 55 HG1 GLU 55 17.699 -4.076 -4.076
382 H GLU 56 HN GLU 56 14.267 -6.015 -6.015
383 HA GLU 56 HA GLU 56 13.227 -4.038 -4.038
384 1HB GLU 56 HB2 GLU 56 12.084 -5.715 -5.715
385 2HB GLU 56 HB1 GLU 56 12.126 -4.246 -4.246
386 1HG GLU 56 HG2 GLU 56 10.110 -3.927 -3.927
387 2HG GLU 56 HG1 GLU 56 11.197 -3.153 -3.153
388 H GLU 57 HN GLU 57 13.058 -1.772 -1.772
389 HA GLU 57 HA GLU 57 14.285 -0.618 -0.618
390 1HB GLU 57 HB2 GLU 57 15.170 0.063 0.063
391 2HB GLU 57 HB1 GLU 57 15.726 0.857 0.857
392 1HG GLU 57 HG2 GLU 57 16.452 -1.475 -1.475
393 2HG GLU 57 HG1 GLU 57 16.215 -1.992 -1.992
394 H SER 58 HN SER 58 12.570 0.609 0.609
395 HA SER 58 HA SER 58 11.199 2.290 2.290
396 1HB SER 58 HB2 SER 58 9.771 0.519 0.519
397 2HB SER 58 HB1 SER 58 10.071 1.292 1.292
398 HG SER 58 HG SER 58 8.194 1.890 1.890
399 H GLU 59 HN GLU 59 11.697 4.428 4.428
400 HA GLU 59 HA GLU 59 12.883 5.349 5.349
401 1HB GLU 59 HB2 GLU 59 13.678 5.995 5.995
402 2HB GLU 59 HB1 GLU 59 12.253 7.032 7.032
403 1HG GLU 59 HG2 GLU 59 13.019 8.425 8.425
404 2HG GLU 59 HG1 GLU 59 14.084 7.185 7.185
405 H PHE 60 HN PHE 60 11.287 5.588 5.588
406 HA PHE 60 HA PHE 60 9.195 7.579 7.579
407 1HB PHE 60 HB2 PHE 60 8.247 5.253 5.253
408 2HB PHE 60 HB1 PHE 60 8.642 4.989 4.989
409 HD1 PHE 60 HD1 PHE 60 7.045 7.685 7.685
410 HD2 PHE 60 HD2 PHE 60 6.897 5.311 5.311
411 HE1 PHE 60 HE1 PHE 60 4.946 8.822 8.822
412 HE2 PHE 60 HE2 PHE 60 4.798 6.448 6.448
413 HZ PHE 60 HZ PHE 60 3.821 8.205 8.205
Start of MODEL 8
1 1H GLU 1 HT3 GLU 1 4.453 -14.500 -14.500
2 2H GLU 1 HT2 GLU 1 4.547 -16.120 -16.120
3 3H GLU 1 HT1 GLU 1 5.842 -15.409 -15.409
4 HA GLU 1 HA GLU 1 6.539 -15.425 -15.425
5 1HB GLU 1 HB2 GLU 1 3.652 -14.832 -14.832
6 2HB GLU 1 HB1 GLU 1 4.834 -14.246 -14.246
7 1HG GLU 1 HG2 GLU 1 4.398 -16.369 -16.369
8 2HG GLU 1 HG1 GLU 1 5.786 -16.702 -16.702
9 H ALA 2 HN ALA 2 8.047 -13.826 -13.826
10 HA ALA 2 HA ALA 2 7.218 -11.149 -11.149
11 1HB ALA 2 HB1 ALA 2 9.365 -12.439 -12.439
12 2HB ALA 2 HB3 ALA 2 10.002 -11.920 -11.920
13 3HB ALA 2 HB2 ALA 2 9.502 -10.720 -10.720
14 H GLN 3 HN GLN 3 6.515 -12.362 -12.362
15 HA GLN 3 HA GLN 3 7.921 -10.430 -10.430
16 1HB GLN 3 HB2 GLN 3 6.468 -13.011 -13.011
17 2HB GLN 3 HB1 GLN 3 6.511 -11.830 -11.830
18 1HG GLN 3 HG2 GLN 3 8.473 -12.946 -12.946
19 2HG GLN 3 HG1 GLN 3 9.101 -11.755 -11.755
20 1HE2 GLN 3 HE22 GLN 3 9.747 -14.136 -14.136
21 2HE2 GLN 3 HE21 GLN 3 9.624 -12.485 -12.485
22 H THR 4 HN THR 4 6.867 -8.478 -8.478
23 HA THR 4 HA THR 4 3.944 -8.426 -8.426
24 HB THR 4 HB THR 4 4.446 -5.872 -5.872
25 HG1 THR 4 HG1 THR 4 6.813 -6.870 -6.870
26 1HG2 THR 4 HG22 THR 4 3.982 -7.376 -7.376
27 2HG2 THR 4 HG21 THR 4 5.711 -7.190 -7.190
28 3HG2 THR 4 HG23 THR 4 4.666 -5.768 -5.768
29 H GLU 5 HN GLU 5 2.859 -6.698 -6.698
30 HA GLU 5 HA GLU 5 3.277 -7.684 -7.684
31 1HB GLU 5 HB2 GLU 5 1.481 -5.476 -5.476
32 2HB GLU 5 HB1 GLU 5 1.406 -6.171 -6.171
33 1HG GLU 5 HG2 GLU 5 0.967 -8.405 -8.405
34 2HG GLU 5 HG1 GLU 5 0.941 -7.646 -7.646
35 H THR 6 HN THR 6 4.110 -6.500 -6.500
36 HA THR 6 HA THR 6 5.128 -3.788 -3.788
37 HB THR 6 HB THR 6 6.942 -5.715 -5.715
38 HG1 THR 6 HG1 THR 6 6.626 -6.838 -6.838
39 1HG2 THR 6 HG21 THR 6 7.069 -3.036 -3.036
40 2HG2 THR 6 HG23 THR 6 7.977 -3.780 -3.780
41 3HG2 THR 6 HG22 THR 6 8.462 -4.058 -4.058
42 H CYS 7 HN CYS 7 4.567 -2.487 -2.487
43 HA CYS 7 HA CYS 7 3.898 -3.797 -3.797
44 1HB CYS 7 HB2 CYS 7 3.144 -1.045 -1.045
45 2HB CYS 7 HB1 CYS 7 2.579 -1.786 -1.786
46 H THR 8 HN THR 8 6.133 -1.619 -1.619
47 HA THR 8 HA THR 8 6.953 -0.187 -0.187
48 HB THR 8 HB THR 8 7.455 0.707 0.707
49 HG1 THR 8 HG1 THR 8 9.903 0.600 0.600
50 1HG2 THR 8 HG21 THR 8 7.976 -1.960 -1.960
51 2HG2 THR 8 HG23 THR 8 9.549 -1.167 -1.167
52 3HG2 THR 8 HG22 THR 8 8.199 -0.556 -0.556
53 H VAL 9 HN VAL 9 7.617 -1.407 -1.407
54 HA VAL 9 HA VAL 9 9.841 -3.303 -3.303
55 HB VAL 9 HB VAL 9 7.593 -3.709 -3.709
56 1HG1 VAL 9 HG12 VAL 9 10.092 -5.204 -5.204
57 2HG1 VAL 9 HG11 VAL 9 8.689 -6.093 -6.093
58 3HG1 VAL 9 HG13 VAL 9 9.442 -4.856 -4.856
59 1HG2 VAL 9 HG23 VAL 9 7.985 -4.574 -4.574
60 2HG2 VAL 9 HG22 VAL 9 6.491 -4.222 -4.222
61 3HG2 VAL 9 HG21 VAL 9 7.320 -5.758 -5.758
62 H ALA 10 HN ALA 10 11.021 -3.759 -3.759
63 HA ALA 10 HA ALA 10 11.878 -1.272 -1.272
64 1HB ALA 10 HB2 ALA 10 12.981 -3.708 -3.708
65 2HB ALA 10 HB1 ALA 10 12.290 -3.779 -3.779
66 3HB ALA 10 HB3 ALA 10 13.444 -2.510 -2.510
67 HA PRO 11 HA PRO 11 8.516 -0.156 -0.156
68 1HB PRO 11 HB2 PRO 11 10.627 0.645 0.645
69 2HB PRO 11 HB1 PRO 11 9.370 1.626 1.626
70 1HG PRO 11 HG2 PRO 11 12.119 1.424 1.424
71 2HG PRO 11 HG1 PRO 11 10.854 2.386 2.386
72 1HD PRO 11 HD2 PRO 11 12.147 0.191 0.191
73 2HD PRO 11 HD1 PRO 11 10.618 0.891 0.891
74 H ARG 12 HN ARG 12 11.418 -1.862 -1.862
75 HA ARG 12 HA ARG 12 10.031 -2.862 -2.862
76 1HB ARG 12 HB2 ARG 12 12.709 -3.359 -3.359
77 2HB ARG 12 HB1 ARG 12 12.133 -4.415 -4.415
78 1HG ARG 12 HG2 ARG 12 12.013 -2.627 -2.627
79 2HG ARG 12 HG1 ARG 12 12.141 -1.409 -1.409
80 1HD ARG 12 HD2 ARG 12 14.416 -3.242 -3.242
81 2HD ARG 12 HD1 ARG 12 14.250 -2.416 -2.416
82 HE ARG 12 HE ARG 12 14.735 -1.133 -1.133
83 1HH1 ARG 12 HH11 ARG 12 14.158 -0.901 -0.901
84 2HH1 ARG 12 HH12 ARG 12 14.715 0.735 0.735
85 1HH2 ARG 12 HH21 ARG 12 15.461 1.011 1.011
86 2HH2 ARG 12 HH22 ARG 12 15.449 1.812 1.812
87 H GLU 13 HN GLU 13 10.964 -4.210 -4.210
88 HA GLU 13 HA GLU 13 9.788 -6.792 -6.792
89 1HB GLU 13 HB2 GLU 13 10.989 -5.582 -5.582
90 2HB GLU 13 HB1 GLU 13 10.245 -7.182 -7.182
91 1HG GLU 13 HG2 GLU 13 12.282 -6.533 -6.533
92 2HG GLU 13 HG1 GLU 13 12.837 -6.911 -6.911
93 H ARG 14 HN ARG 14 7.925 -4.638 -4.638
94 HA ARG 14 HA ARG 14 6.149 -4.989 -4.989
95 1HB ARG 14 HB2 ARG 14 6.463 -2.833 -2.833
96 2HB ARG 14 HB1 ARG 14 4.910 -3.041 -3.041
97 1HG ARG 14 HG2 ARG 14 6.310 -3.052 -3.052
98 2HG ARG 14 HG1 ARG 14 7.578 -2.327 -2.327
99 1HD ARG 14 HD2 ARG 14 5.991 -0.541 -0.541
100 2HD ARG 14 HD1 ARG 14 4.769 -1.246 -1.246
101 HE ARG 14 HE ARG 14 7.258 -0.653 -0.653
102 1HH1 ARG 14 HH11 ARG 14 4.185 0.584 0.584
103 2HH1 ARG 14 HH12 ARG 14 4.125 1.844 1.844
104 1HH2 ARG 14 HH21 ARG 14 7.162 1.005 1.005
105 2HH2 ARG 14 HH22 ARG 14 5.804 2.080 2.080
106 H GLN 15 HN GLN 15 4.231 -6.103 -6.103
107 HA GLN 15 HA GLN 15 3.728 -7.273 -7.273
108 1HB GLN 15 HB2 GLN 15 2.388 -7.737 -7.737
109 2HB GLN 15 HB1 GLN 15 2.077 -8.660 -8.660
110 1HG GLN 15 HG2 GLN 15 4.917 -8.411 -8.411
111 2HG GLN 15 HG1 GLN 15 3.870 -9.469 -9.469
112 1HE2 GLN 15 HE22 GLN 15 5.161 -10.684 -10.684
113 2HE2 GLN 15 HE21 GLN 15 5.705 -9.245 -9.245
114 H ASN 16 HN ASN 16 2.391 -6.201 -6.201
115 HA ASN 16 HA ASN 16 0.840 -3.955 -3.955
116 1HB ASN 16 HB2 ASN 16 1.664 -4.777 -4.777
117 2HB ASN 16 HB1 ASN 16 0.152 -5.686 -5.686
118 1HD2 ASN 16 HD22 ASN 16 -1.067 -2.639 -2.639
119 2HD2 ASN 16 HD21 ASN 16 -0.447 -4.172 -4.172
120 H CYS 17 HN CYS 17 -0.933 -3.974 -3.974
121 HA CYS 17 HA CYS 17 -2.572 -6.412 -6.412
122 1HB CYS 17 HB2 CYS 17 -1.831 -5.239 -5.239
123 2HB CYS 17 HB1 CYS 17 -2.774 -3.834 -3.834
124 H GLY 18 HN GLY 18 -2.576 -3.241 -3.241
125 1HA GLY 18 HA2 GLY 18 -4.788 -3.704 -3.704
126 2HA GLY 18 HA1 GLY 18 -5.391 -2.860 -2.860
127 H PHE 19 HN PHE 19 -5.634 -1.521 -1.521
128 HA PHE 19 HA PHE 19 -3.381 0.063 0.063
129 1HB PHE 19 HB2 PHE 19 -5.118 1.579 1.579
130 2HB PHE 19 HB1 PHE 19 -5.211 -0.104 -0.104
131 HD1 PHE 19 HD2 PHE 19 -6.927 -1.629 -1.629
132 HD2 PHE 19 HD1 PHE 19 -6.928 2.618 2.618
133 HE1 PHE 19 HE2 PHE 19 -9.280 -1.748 -1.748
134 HE2 PHE 19 HE1 PHE 19 -9.286 2.498 2.498
135 HZ PHE 19 HZ PHE 19 -10.461 0.315 0.315
136 HA PRO 20 HA PRO 20 -3.086 2.943 2.943
137 1HB PRO 20 HB2 PRO 20 -2.289 5.199 5.199
138 2HB PRO 20 HB1 PRO 20 -1.220 3.923 3.923
139 1HG PRO 20 HG2 PRO 20 -2.154 4.454 4.454
140 2HG PRO 20 HG1 PRO 20 -0.717 3.583 3.583
141 1HD PRO 20 HD2 PRO 20 -3.014 2.399 2.399
142 2HD PRO 20 HD1 PRO 20 -1.774 1.575 1.575
143 H GLY 21 HN GLY 21 -4.974 3.830 3.830
144 1HA GLY 21 HA2 GLY 21 -6.177 6.194 6.194
145 2HA GLY 21 HA1 GLY 21 -6.945 5.026 5.026
146 H VAL 22 HN VAL 22 -6.492 3.014 3.014
147 HA VAL 22 HA VAL 22 -9.151 3.167 3.167
148 HB VAL 22 HB VAL 22 -8.366 1.489 1.489
149 1HG1 VAL 22 HG13 VAL 22 -9.048 0.855 0.855
150 2HG1 VAL 22 HG12 VAL 22 -7.358 0.961 0.961
151 3HG1 VAL 22 HG11 VAL 22 -7.859 -0.247 -0.247
152 1HG2 VAL 22 HG22 VAL 22 -5.738 2.465 2.465
153 2HG2 VAL 22 HG21 VAL 22 -6.180 1.888 1.888
154 3HG2 VAL 22 HG23 VAL 22 -5.875 0.736 0.736
155 H THR 23 HN THR 23 -9.405 3.149 3.149
156 HA THR 23 HA THR 23 -7.848 5.423 5.423
157 HB THR 23 HB THR 23 -10.012 6.170 6.170
158 HG1 THR 23 HG1 THR 23 -11.886 5.392 5.392
159 1HG2 THR 23 HG21 THR 23 -9.705 6.178 6.178
160 2HG2 THR 23 HG23 THR 23 -10.924 7.138 7.138
161 3HG2 THR 23 HG22 THR 23 -9.210 7.430 7.430
162 HA PRO 24 HA PRO 24 -6.915 3.383 3.383
163 1HB PRO 24 HB2 PRO 24 -8.807 5.064 5.064
164 2HB PRO 24 HB1 PRO 24 -7.047 4.954 4.954
165 1HG PRO 24 HG2 PRO 24 -8.612 6.929 6.929
166 2HG PRO 24 HG1 PRO 24 -6.857 6.866 6.866
167 1HD PRO 24 HD2 PRO 24 -8.121 6.563 6.563
168 2HD PRO 24 HD1 PRO 24 -6.503 5.933 5.933
169 H SER 25 HN SER 25 -10.356 4.024 4.024
170 HA SER 25 HA SER 25 -11.371 2.082 2.082
171 1HB SER 25 HB2 SER 25 -12.480 3.694 3.694
172 2HB SER 25 HB1 SER 25 -13.396 2.296 2.296
173 HG SER 25 HG SER 25 -14.034 3.561 3.561
174 H GLN 26 HN GLN 26 -10.896 2.034 2.034
175 HA GLN 26 HA GLN 26 -11.743 -0.653 -0.653
176 1HB GLN 26 HB2 GLN 26 -9.748 0.921 0.921
177 2HB GLN 26 HB1 GLN 26 -10.609 -0.528 -0.528
178 1HG GLN 26 HG2 GLN 26 -12.289 1.697 1.697
179 2HG GLN 26 HG1 GLN 26 -11.501 1.969 1.969
180 1HE2 GLN 26 HE22 GLN 26 -14.230 0.248 0.248
181 2HE2 GLN 26 HE21 GLN 26 -13.394 1.718 1.718
182 H CYS 27 HN CYS 27 -8.438 0.742 0.742
183 HA CYS 27 HA CYS 27 -7.087 -1.748 -1.748
184 1HB CYS 27 HB2 CYS 27 -6.159 0.680 0.680
185 2HB CYS 27 HB1 CYS 27 -6.099 0.607 0.607
186 H ALA 28 HN ALA 28 -8.957 -0.197 -0.197
187 HA ALA 28 HA ALA 28 -7.784 -1.935 -1.935
188 1HB ALA 28 HB2 ALA 28 -9.831 0.294 0.294
189 2HB ALA 28 HB1 ALA 28 -9.308 -0.648 -0.648
190 3HB ALA 28 HB3 ALA 28 -8.152 0.368 0.368
191 H ASN 29 HN ASN 29 -10.351 -1.968 -1.968
192 HA ASN 29 HA ASN 29 -12.311 -3.352 -3.352
193 1HB ASN 29 HB2 ASN 29 -12.591 -2.100 -2.100
194 2HB ASN 29 HB1 ASN 29 -12.045 -3.614 -3.614
195 1HD2 ASN 29 HD22 ASN 29 -15.532 -3.811 -3.811
196 2HD2 ASN 29 HD21 ASN 29 -14.267 -2.827 -2.827
197 H LYS 30 HN LYS 30 -9.584 -4.354 -4.354
198 HA LYS 30 HA LYS 30 -10.268 -7.180 -7.180
199 1HB LYS 30 HB2 LYS 30 -9.264 -5.994 -5.994
200 2HB LYS 30 HB1 LYS 30 -7.738 -6.306 -6.306
201 1HG LYS 30 HG2 LYS 30 -8.811 -8.711 -8.711
202 2HG LYS 30 HG1 LYS 30 -9.736 -8.251 -8.251
203 1HD LYS 30 HD2 LYS 30 -7.728 -7.886 -7.886
204 2HD LYS 30 HD1 LYS 30 -6.718 -8.063 -8.063
205 1HE LYS 30 HE2 LYS 30 -6.603 -10.151 -10.151
206 2HE LYS 30 HE1 LYS 30 -7.628 -10.420 -10.420
207 1HZ LYS 30 HZ1 LYS 30 -8.680 -9.687 -9.687
208 2HZ LYS 30 HZ3 LYS 30 -8.480 -11.293 -11.293
209 3HZ LYS 30 HZ2 LYS 30 -9.540 -10.266 -10.266
210 H GLY 31 HN GLY 31 -7.676 -4.840 -4.840
211 1HA GLY 31 HA2 GLY 31 -6.837 -5.083 -5.083
212 2HA GLY 31 HA1 GLY 31 -6.705 -6.807 -6.807
213 H CYS 32 HN CYS 32 -5.876 -4.138 -4.138
214 HA CYS 32 HA CYS 32 -3.114 -5.207 -5.207
215 1HB CYS 32 HB2 CYS 32 -4.895 -3.900 -3.900
216 2HB CYS 32 HB1 CYS 32 -3.158 -3.623 -3.623
217 H CYS 33 HN CYS 33 -1.345 -3.771 -3.771
218 HA CYS 33 HA CYS 33 -1.847 -1.510 -1.510
219 1HB CYS 33 HB2 CYS 33 0.689 -2.247 -2.247
220 2HB CYS 33 HB1 CYS 33 0.568 -1.148 -1.148
221 H PHE 34 HN PHE 34 -2.304 0.570 0.570
222 HA PHE 34 HA PHE 34 -2.018 1.259 1.259
223 1HB PHE 34 HB2 PHE 34 -4.283 1.442 1.442
224 2HB PHE 34 HB1 PHE 34 -3.598 2.746 2.746
225 HD1 PHE 34 HD1 PHE 34 -4.346 1.669 1.669
226 HD2 PHE 34 HD2 PHE 34 -3.263 4.929 4.929
227 HE1 PHE 34 HE1 PHE 34 -4.736 3.266 3.266
228 HE2 PHE 34 HE2 PHE 34 -3.653 6.527 6.527
229 HZ PHE 34 HZ PHE 34 -4.389 5.695 5.695
230 H ASP 35 HN ASP 35 -0.072 2.258 2.258
231 HA ASP 35 HA ASP 35 0.775 4.311 4.311
232 1HB ASP 35 HB2 ASP 35 2.241 2.259 2.259
233 2HB ASP 35 HB1 ASP 35 2.574 2.694 2.694
234 H ASP 36 HN ASP 36 0.067 6.211 6.211
235 HA ASP 36 HA ASP 36 0.736 6.557 6.557
236 1HB ASP 36 HB2 ASP 36 -0.922 8.428 8.428
237 2HB ASP 36 HB1 ASP 36 -1.633 6.857 6.857
238 H THR 37 HN THR 37 2.989 6.804 6.804
239 HA THR 37 HA THR 37 3.283 9.682 9.682
240 HB THR 37 HB THR 37 5.512 8.746 8.746
241 HG1 THR 37 HG1 THR 37 5.645 6.674 6.674
242 1HG2 THR 37 HG21 THR 37 3.375 9.649 9.649
243 2HG2 THR 37 HG23 THR 37 2.982 7.953 7.953
244 3HG2 THR 37 HG22 THR 37 4.461 8.639 8.639
245 H VAL 38 HN VAL 38 4.779 6.922 6.922
246 HA VAL 38 HA VAL 38 6.578 8.808 8.808
247 HB VAL 38 HB VAL 38 6.435 5.783 5.783
248 1HG1 VAL 38 HG11 VAL 38 7.520 6.896 6.896
249 2HG1 VAL 38 HG13 VAL 38 8.578 7.771 7.771
250 3HG1 VAL 38 HG12 VAL 38 8.700 6.016 6.016
251 1HG2 VAL 38 HG21 VAL 38 6.971 6.611 6.611
252 2HG2 VAL 38 HG23 VAL 38 8.334 5.780 5.780
253 3HG2 VAL 38 HG22 VAL 38 8.307 7.544 7.544
254 H ARG 39 HN ARG 39 6.654 8.830 8.830
255 HA ARG 39 HA ARG 39 4.024 8.140 8.140
256 1HB ARG 39 HB2 ARG 39 6.016 10.325 10.325
257 2HB ARG 39 HB1 ARG 39 4.999 9.789 9.789
258 1HG ARG 39 HG2 ARG 39 3.686 11.472 11.472
259 2HG ARG 39 HG1 ARG 39 3.049 10.024 10.024
260 1HD ARG 39 HD2 ARG 39 3.399 11.514 11.514
261 2HD ARG 39 HD1 ARG 39 4.828 10.483 10.483
262 HE ARG 39 HE ARG 39 6.118 12.321 12.321
263 1HH1 ARG 39 HH21 ARG 39 2.713 12.972 12.972
264 2HH1 ARG 39 HH22 ARG 39 2.937 14.659 14.659
265 1HH2 ARG 39 HH11 ARG 39 6.389 14.535 14.535
266 2HH2 ARG 39 HH12 ARG 39 5.009 15.538 15.538
267 H GLY 40 HN GLY 40 4.141 7.478 7.478
268 1HA GLY 40 HA2 GLY 40 5.138 6.300 6.300
269 2HA GLY 40 HA1 GLY 40 6.672 6.343 6.343
270 H VAL 41 HN VAL 41 5.514 5.306 5.306
271 HA VAL 41 HA VAL 41 5.510 2.466 2.466
272 HB VAL 41 HB VAL 41 5.730 2.146 2.146
273 1HG1 VAL 41 HG12 VAL 41 7.590 3.988 3.988
274 2HG1 VAL 41 HG11 VAL 41 7.942 3.500 3.500
275 3HG1 VAL 41 HG13 VAL 41 7.807 2.283 2.283
276 1HG2 VAL 41 HG21 VAL 41 4.427 4.354 4.354
277 2HG2 VAL 41 HG23 VAL 41 5.780 3.972 3.972
278 3HG2 VAL 41 HG22 VAL 41 5.986 5.146 5.146
279 HA PRO 42 HA PRO 42 1.170 1.947 1.947
280 1HB PRO 42 HB2 PRO 42 1.233 -0.584 -0.584
281 2HB PRO 42 HB1 PRO 42 1.254 -0.253 -0.253
282 1HG PRO 42 HG2 PRO 42 3.335 -1.363 -1.363
283 2HG PRO 42 HG1 PRO 42 3.363 -1.001 -1.001
284 1HD PRO 42 HD2 PRO 42 4.497 0.542 0.542
285 2HD PRO 42 HD1 PRO 42 4.905 0.596 0.596
286 H TRP 43 HN TRP 43 -0.294 2.450 2.450
287 HA TRP 43 HA TRP 43 0.858 2.893 2.893
288 1HB TRP 43 HB2 TRP 43 -1.910 3.479 3.479
289 2HB TRP 43 HB1 TRP 43 -1.290 4.013 4.013
290 HD1 TRP 43 HD1 TRP 43 1.691 4.736 4.736
291 HE1 TRP 43 HE1 TRP 43 1.946 6.928 6.928
292 HE3 TRP 43 HE3 TRP 43 -3.178 5.545 5.545
293 HZ2 TRP 43 HZ2 TRP 43 0.303 8.783 8.783
294 HZ3 TRP 43 HZ3 TRP 43 -3.804 7.532 7.532
295 HH2 TRP 43 HH2 TRP 43 -2.072 9.151 9.151
296 H CYS 44 HN CYS 44 -1.866 0.982 0.982
297 HA CYS 44 HA CYS 44 -2.281 -0.298 -0.298
298 1HB CYS 44 HB2 CYS 44 -4.160 0.359 0.359
299 2HB CYS 44 HB1 CYS 44 -3.629 -0.977 -0.977
300 H PHE 45 HN PHE 45 -0.802 -1.877 -1.877
301 HA PHE 45 HA PHE 45 -0.340 -3.976 -3.976
302 1HB PHE 45 HB2 PHE 45 2.040 -4.063 -4.063
303 2HB PHE 45 HB1 PHE 45 1.620 -2.445 -2.445
304 HD1 PHE 45 HD2 PHE 45 0.851 -0.797 -0.797
305 HD2 PHE 45 HD1 PHE 45 3.341 -4.258 -4.258
306 HE1 PHE 45 HE2 PHE 45 1.757 0.148 0.148
307 HE2 PHE 45 HE1 PHE 45 4.249 -3.319 -3.319
308 HZ PHE 45 HZ PHE 45 3.460 -1.113 -1.113
309 H TYR 46 HN TYR 46 1.014 -5.853 -5.853
310 HA TYR 46 HA TYR 46 -0.750 -6.477 -6.477
311 1HB TYR 46 HB2 TYR 46 1.214 -8.055 -8.055
312 2HB TYR 46 HB1 TYR 46 0.587 -8.695 -8.695
313 HD1 TYR 46 HD1 TYR 46 -1.935 -8.868 -8.868
314 HD2 TYR 46 HD2 TYR 46 -0.100 -8.088 -8.088
315 HE1 TYR 46 HE1 TYR 46 -4.028 -9.542 -9.542
316 HE2 TYR 46 HE2 TYR 46 -2.193 -8.762 -8.762
317 HH TYR 46 HH TYR 46 -4.191 -10.237 -10.237
318 HA PRO 47 HA PRO 47 2.446 -5.820 -5.820
319 1HB PRO 47 HB2 PRO 47 1.490 -7.548 -7.548
320 2HB PRO 47 HB1 PRO 47 0.821 -5.947 -5.947
321 1HG PRO 47 HG2 PRO 47 -0.409 -8.492 -8.492
322 2HG PRO 47 HG1 PRO 47 -1.073 -6.888 -6.888
323 1HD PRO 47 HD2 PRO 47 0.179 -8.830 -8.830
324 2HD PRO 47 HD1 PRO 47 -0.943 -7.499 -7.499
325 H ASN 48 HN ASN 48 3.937 -7.133 -7.133
326 HA ASN 48 HA ASN 48 4.565 -9.835 -9.835
327 1HB ASN 48 HB2 ASN 48 6.423 -7.478 -7.478
328 2HB ASN 48 HB1 ASN 48 6.994 -9.147 -9.147
329 1HD2 ASN 48 HD22 ASN 48 5.370 -7.712 -7.712
330 2HD2 ASN 48 HD21 ASN 48 5.797 -6.726 -6.726
331 H THR 49 HN THR 49 4.456 -10.747 -10.747
332 HA THR 49 HA THR 49 5.224 -9.398 -9.398
333 HB THR 49 HB THR 49 5.158 -11.721 -11.721
334 HG1 THR 49 HG1 THR 49 4.687 -13.397 -13.397
335 1HG2 THR 49 HG21 THR 49 3.139 -10.288 -10.288
336 2HG2 THR 49 HG23 THR 49 2.820 -10.983 -10.983
337 3HG2 THR 49 HG22 THR 49 2.752 -12.003 -12.003
338 H ILE 50 HN ILE 50 7.361 -8.565 -8.565
339 HA ILE 50 HA ILE 50 9.459 -10.637 -10.637
340 HB ILE 50 HB ILE 50 9.663 -8.178 -8.178
341 1HG1 ILE 50 HG12 ILE 50 9.421 -11.092 -11.092
342 2HG1 ILE 50 HG11 ILE 50 8.082 -9.946 -9.946
343 1HG2 ILE 50 HG23 ILE 50 11.504 -10.444 -10.444
344 2HG2 ILE 50 HG22 ILE 50 11.678 -9.629 -9.629
345 3HG2 ILE 50 HG21 ILE 50 11.845 -8.714 -8.714
346 1HD1 ILE 50 HD11 ILE 50 10.645 -9.200 -9.200
347 2HD1 ILE 50 HD13 ILE 50 9.571 -10.350 -10.350
348 3HD1 ILE 50 HD12 ILE 50 8.991 -8.733 -8.733
349 H ASP 51 HN ASP 51 11.517 -9.707 -9.707
350 HA ASP 51 HA ASP 51 10.840 -7.571 -7.571
351 1HB ASP 51 HB2 ASP 51 11.862 -9.970 -9.970
352 2HB ASP 51 HB1 ASP 51 13.375 -9.146 -9.146
353 H VAL 52 HN VAL 52 11.809 -5.577 -5.577
354 HA VAL 52 HA VAL 52 14.321 -5.354 -5.354
355 HB VAL 52 HB VAL 52 13.386 -3.415 -3.415
356 1HG1 VAL 52 HG12 VAL 52 13.401 -5.925 -5.925
357 2HG1 VAL 52 HG11 VAL 52 11.653 -5.814 -5.814
358 3HG1 VAL 52 HG13 VAL 52 12.477 -4.757 -4.757
359 1HG2 VAL 52 HG23 VAL 52 11.499 -3.045 -3.045
360 2HG2 VAL 52 HG22 VAL 52 11.014 -3.009 -3.009
361 3HG2 VAL 52 HG21 VAL 52 10.697 -4.442 -4.442
362 HA PRO 53 HA PRO 53 15.894 -2.483 -2.483
363 1HB PRO 53 HB2 PRO 53 15.962 -0.269 -0.269
364 2HB PRO 53 HB1 PRO 53 17.307 -1.135 -1.135
365 1HG PRO 53 HG2 PRO 53 16.214 -1.446 -1.446
366 2HG PRO 53 HG1 PRO 53 17.665 -2.180 -2.180
367 1HD PRO 53 HD2 PRO 53 15.385 -3.582 -3.582
368 2HD PRO 53 HD1 PRO 53 16.574 -4.115 -4.115
369 HA PRO 54 HA PRO 54 12.465 0.174 0.174
370 1HB PRO 54 HB2 PRO 54 13.772 1.586 1.586
371 2HB PRO 54 HB1 PRO 54 13.146 -0.060 -0.060
372 1HG PRO 54 HG2 PRO 54 15.873 0.803 0.803
373 2HG PRO 54 HG1 PRO 54 15.241 -0.839 -0.839
374 1HD PRO 54 HD2 PRO 54 16.358 0.454 0.454
375 2HD PRO 54 HD1 PRO 54 16.194 -1.272 -1.272
376 H GLU 55 HN GLU 55 15.328 2.291 2.291
377 HA GLU 55 HA GLU 55 13.933 4.528 4.528
378 1HB GLU 55 HB2 GLU 55 16.810 4.231 4.231
379 2HB GLU 55 HB1 GLU 55 16.034 5.749 5.749
380 1HG GLU 55 HG2 GLU 55 14.451 5.558 5.558
381 2HG GLU 55 HG1 GLU 55 15.020 3.931 3.931
382 H GLU 56 HN GLU 56 13.993 5.096 5.096
383 HA GLU 56 HA GLU 56 15.661 3.518 3.518
384 1HB GLU 56 HB2 GLU 56 13.176 4.338 4.338
385 2HB GLU 56 HB1 GLU 56 13.954 5.821 5.821
386 1HG GLU 56 HG2 GLU 56 15.202 4.600 4.600
387 2HG GLU 56 HG1 GLU 56 14.598 3.061 3.061
388 H GLU 57 HN GLU 57 17.587 4.226 4.226
389 HA GLU 57 HA GLU 57 18.660 6.762 6.762
390 1HB GLU 57 HB2 GLU 57 19.889 4.492 4.492
391 2HB GLU 57 HB1 GLU 57 19.908 5.087 5.087
392 1HG GLU 57 HG2 GLU 57 20.829 7.287 7.287
393 2HG GLU 57 HG1 GLU 57 21.196 6.288 6.288
394 H SER 58 HN SER 58 19.597 8.350 8.350
395 HA SER 58 HA SER 58 18.193 8.380 8.380
396 1HB SER 58 HB2 SER 58 17.984 10.549 10.549
397 2HB SER 58 HB1 SER 58 17.548 10.786 10.786
398 HG SER 58 HG SER 58 16.339 8.615 8.615
399 H GLU 59 HN GLU 59 19.155 10.007 10.007
400 HA GLU 59 HA GLU 59 21.996 10.478 10.478
401 1HB GLU 59 HB2 GLU 59 20.614 10.407 10.407
402 2HB GLU 59 HB1 GLU 59 22.343 10.639 10.639
403 1HG GLU 59 HG2 GLU 59 20.840 8.213 8.213
404 2HG GLU 59 HG1 GLU 59 21.650 8.259 8.259
405 H PHE 60 HN PHE 60 22.901 12.574 12.574
406 HA PHE 60 HA PHE 60 20.891 14.732 14.732
407 1HB PHE 60 HB2 PHE 60 23.676 14.445 14.445
408 2HB PHE 60 HB1 PHE 60 23.100 16.053 16.053
409 HD1 PHE 60 HD1 PHE 60 22.038 13.005 13.005
410 HD2 PHE 60 HD2 PHE 60 21.837 17.279 17.279
411 HE1 PHE 60 HE1 PHE 60 20.758 13.128 13.128
412 HE2 PHE 60 HE2 PHE 60 20.558 17.403 17.403
413 HZ PHE 60 HZ PHE 60 20.019 15.326 15.326
Start of MODEL 9
1 1H GLU 1 HT3 GLU 1 7.613 -16.071 -16.071
2 2H GLU 1 HT2 GLU 1 8.787 -16.430 -16.430
3 3H GLU 1 HT1 GLU 1 8.049 -17.682 -17.682
4 HA GLU 1 HA GLU 1 6.207 -17.679 -17.679
5 1HB GLU 1 HB2 GLU 1 6.727 -17.053 -17.053
6 2HB GLU 1 HB1 GLU 1 7.987 -18.034 -18.034
7 1HG GLU 1 HG2 GLU 1 8.290 -15.103 -15.103
8 2HG GLU 1 HG1 GLU 1 8.485 -15.704 -15.704
9 H ALA 2 HN ALA 2 7.533 -14.495 -14.495
10 HA ALA 2 HA ALA 2 4.835 -13.372 -13.372
11 1HB ALA 2 HB3 ALA 2 6.232 -13.139 -13.139
12 2HB ALA 2 HB2 ALA 2 7.092 -11.887 -11.887
13 3HB ALA 2 HB1 ALA 2 5.356 -11.740 -11.740
14 H GLN 3 HN GLN 3 5.070 -13.220 -13.220
15 HA GLN 3 HA GLN 3 6.903 -11.026 -11.026
16 1HB GLN 3 HB2 GLN 3 6.080 -13.477 -13.477
17 2HB GLN 3 HB1 GLN 3 7.040 -12.140 -12.140
18 1HG GLN 3 HG2 GLN 3 8.895 -12.674 -12.674
19 2HG GLN 3 HG1 GLN 3 7.926 -13.525 -13.525
20 1HE2 GLN 3 HE22 GLN 3 8.697 -16.601 -16.601
21 2HE2 GLN 3 HE21 GLN 3 8.494 -15.705 -15.705
22 H THR 4 HN THR 4 5.723 -9.248 -9.248
23 HA THR 4 HA THR 4 2.903 -9.566 -9.566
24 HB THR 4 HB THR 4 3.222 -6.950 -6.950
25 HG1 THR 4 HG1 THR 4 5.204 -6.415 -6.415
26 1HG2 THR 4 HG23 THR 4 1.946 -8.161 -8.161
27 2HG2 THR 4 HG22 THR 4 3.444 -8.371 -8.371
28 3HG2 THR 4 HG21 THR 4 2.796 -6.752 -6.752
29 H GLU 5 HN GLU 5 2.152 -8.083 -8.083
30 HA GLU 5 HA GLU 5 3.779 -8.882 -8.882
31 1HB GLU 5 HB2 GLU 5 0.946 -7.922 -7.922
32 2HB GLU 5 HB1 GLU 5 1.695 -7.936 -7.936
33 1HG GLU 5 HG2 GLU 5 1.836 -10.250 -10.250
34 2HG GLU 5 HG1 GLU 5 1.896 -10.400 -10.400
35 H THR 6 HN THR 6 4.623 -7.373 -7.373
36 HA THR 6 HA THR 6 4.546 -4.550 -4.550
37 HB THR 6 HB THR 6 6.788 -5.489 -5.489
38 HG1 THR 6 HG1 THR 6 7.396 -4.186 -4.186
39 1HG2 THR 6 HG22 THR 6 6.092 -6.602 -6.602
40 2HG2 THR 6 HG21 THR 6 7.760 -6.070 -6.070
41 3HG2 THR 6 HG23 THR 6 7.083 -7.288 -7.288
42 H CYS 7 HN CYS 7 4.274 -2.922 -2.922
43 HA CYS 7 HA CYS 7 3.223 -3.989 -3.989
44 1HB CYS 7 HB2 CYS 7 2.706 -1.352 -1.352
45 2HB CYS 7 HB1 CYS 7 2.026 -1.816 -1.816
46 H THR 8 HN THR 8 5.713 -2.022 -2.022
47 HA THR 8 HA THR 8 6.327 -0.436 -0.436
48 HB THR 8 HB THR 8 7.110 0.270 0.270
49 HG1 THR 8 HG1 THR 8 8.924 0.933 0.933
50 1HG2 THR 8 HG22 THR 8 7.798 -2.524 -2.524
51 2HG2 THR 8 HG21 THR 8 9.214 -1.526 -1.526
52 3HG2 THR 8 HG23 THR 8 7.731 -1.282 -1.282
53 H VAL 9 HN VAL 9 6.707 -1.567 -1.567
54 HA VAL 9 HA VAL 9 8.749 -3.718 -3.718
55 HB VAL 9 HB VAL 9 6.612 -3.284 -3.284
56 1HG1 VAL 9 HG13 VAL 9 8.858 -5.219 -5.219
57 2HG1 VAL 9 HG12 VAL 9 7.356 -5.829 -5.829
58 3HG1 VAL 9 HG11 VAL 9 8.230 -4.520 -4.520
59 1HG2 VAL 9 HG22 VAL 9 6.746 -5.061 -5.061
60 2HG2 VAL 9 HG21 VAL 9 5.453 -3.961 -3.961
61 3HG2 VAL 9 HG23 VAL 9 5.718 -5.456 -5.456
62 H ALA 10 HN ALA 10 9.991 -3.859 -3.859
63 HA ALA 10 HA ALA 10 11.155 -1.257 -1.257
64 1HB ALA 10 HB2 ALA 10 11.646 -3.959 -3.959
65 2HB ALA 10 HB1 ALA 10 12.593 -2.515 -2.515
66 3HB ALA 10 HB3 ALA 10 12.602 -3.196 -3.196
67 HA PRO 11 HA PRO 11 8.137 0.204 0.204
68 1HB PRO 11 HB2 PRO 11 10.462 1.495 1.495
69 2HB PRO 11 HB1 PRO 11 8.996 2.222 2.222
70 1HG PRO 11 HG2 PRO 11 11.573 2.064 2.064
71 2HG PRO 11 HG1 PRO 11 10.094 2.750 2.750
72 1HD PRO 11 HD2 PRO 11 11.402 0.460 0.460
73 2HD PRO 11 HD1 PRO 11 9.738 0.930 0.930
74 H ARG 12 HN ARG 12 11.356 -1.067 -1.067
75 HA ARG 12 HA ARG 12 10.523 -1.644 -1.644
76 1HB ARG 12 HB2 ARG 12 12.940 -2.380 -2.380
77 2HB ARG 12 HB1 ARG 12 12.713 -2.973 -2.973
78 1HG ARG 12 HG2 ARG 12 12.347 -0.049 -0.049
79 2HG ARG 12 HG1 ARG 12 13.996 -0.669 -0.669
80 1HD ARG 12 HD2 ARG 12 12.206 -1.464 -1.464
81 2HD ARG 12 HD1 ARG 12 13.061 0.078 0.078
82 HE ARG 12 HE ARG 12 14.273 -2.584 -2.584
83 1HH1 ARG 12 HH11 ARG 12 14.667 0.855 0.855
84 2HH1 ARG 12 HH12 ARG 12 16.348 0.846 0.846
85 1HH2 ARG 12 HH21 ARG 12 16.475 -2.573 -2.573
86 2HH2 ARG 12 HH22 ARG 12 17.367 -1.087 -1.087
87 H GLU 13 HN GLU 13 10.990 -3.566 -3.566
88 HA GLU 13 HA GLU 13 9.821 -5.894 -5.894
89 1HB GLU 13 HB2 GLU 13 11.419 -5.591 -5.591
90 2HB GLU 13 HB1 GLU 13 10.575 -7.086 -7.086
91 1HG GLU 13 HG2 GLU 13 11.809 -6.828 -6.828
92 2HG GLU 13 HG1 GLU 13 12.903 -5.791 -5.791
93 H ARG 14 HN ARG 14 7.937 -3.952 -3.952
94 HA ARG 14 HA ARG 14 6.633 -4.554 -4.554
95 1HB ARG 14 HB2 ARG 14 6.292 -2.484 -2.484
96 2HB ARG 14 HB1 ARG 14 4.928 -2.852 -2.852
97 1HG ARG 14 HG2 ARG 14 6.792 -2.631 -2.631
98 2HG ARG 14 HG1 ARG 14 7.563 -1.617 -1.617
99 1HD ARG 14 HD2 ARG 14 5.301 -0.425 -0.425
100 2HD ARG 14 HD1 ARG 14 4.849 -1.255 -1.255
101 HE ARG 14 HE ARG 14 7.309 -0.055 -0.055
102 1HH1 ARG 14 HH11 ARG 14 4.102 0.926 0.926
103 2HH1 ARG 14 HH12 ARG 14 4.210 2.481 2.481
104 1HH2 ARG 14 HH21 ARG 14 7.430 1.987 1.987
105 2HH2 ARG 14 HH22 ARG 14 6.088 3.078 3.078
106 H GLN 15 HN GLN 15 4.538 -5.520 -5.520
107 HA GLN 15 HA GLN 15 3.893 -7.203 -7.203
108 1HB GLN 15 HB2 GLN 15 3.034 -7.156 -7.156
109 2HB GLN 15 HB1 GLN 15 2.163 -8.117 -8.117
110 1HG GLN 15 HG2 GLN 15 5.150 -8.307 -8.307
111 2HG GLN 15 HG1 GLN 15 3.959 -9.407 -9.407
112 1HE2 GLN 15 HE22 GLN 15 5.188 -9.982 -9.982
113 2HE2 GLN 15 HE21 GLN 15 5.905 -8.833 -8.833
114 H ASN 16 HN ASN 16 2.659 -6.130 -6.130
115 HA ASN 16 HA ASN 16 0.947 -3.946 -3.946
116 1HB ASN 16 HB2 ASN 16 1.942 -4.676 -4.676
117 2HB ASN 16 HB1 ASN 16 0.585 -5.798 -5.798
118 1HD2 ASN 16 HD22 ASN 16 -0.227 -2.305 -2.305
119 2HD2 ASN 16 HD21 ASN 16 1.180 -3.239 -3.239
120 H CYS 17 HN CYS 17 -1.021 -3.968 -3.968
121 HA CYS 17 HA CYS 17 -2.443 -6.550 -6.550
122 1HB CYS 17 HB2 CYS 17 -1.904 -5.246 -5.246
123 2HB CYS 17 HB1 CYS 17 -2.967 -3.968 -3.968
124 H GLY 18 HN GLY 18 -2.562 -3.460 -3.460
125 1HA GLY 18 HA2 GLY 18 -4.696 -4.134 -4.134
126 2HA GLY 18 HA1 GLY 18 -5.365 -3.193 -3.193
127 H PHE 19 HN PHE 19 -5.738 -1.822 -1.822
128 HA PHE 19 HA PHE 19 -3.502 -0.385 -0.385
129 1HB PHE 19 HB2 PHE 19 -5.311 1.257 1.257
130 2HB PHE 19 HB1 PHE 19 -5.445 -0.397 -0.397
131 HD1 PHE 19 HD1 PHE 19 -7.071 -1.981 -1.981
132 HD2 PHE 19 HD2 PHE 19 -7.021 2.234 2.234
133 HE1 PHE 19 HE1 PHE 19 -9.360 -2.140 -2.140
134 HE2 PHE 19 HE2 PHE 19 -9.312 2.069 2.069
135 HZ PHE 19 HZ PHE 19 -10.479 -0.116 -0.116
136 HA PRO 20 HA PRO 20 -2.935 2.741 2.741
137 1HB PRO 20 HB2 PRO 20 -2.346 4.940 4.940
138 2HB PRO 20 HB1 PRO 20 -1.210 3.673 3.673
139 1HG PRO 20 HG2 PRO 20 -2.256 4.221 4.221
140 2HG PRO 20 HG1 PRO 20 -1.097 2.972 2.972
141 1HD PRO 20 HD2 PRO 20 -3.961 2.712 2.712
142 2HD PRO 20 HD1 PRO 20 -2.720 1.450 1.450
143 H GLY 21 HN GLY 21 -5.211 3.619 3.619
144 1HA GLY 21 HA2 GLY 21 -6.267 5.983 5.983
145 2HA GLY 21 HA1 GLY 21 -7.170 4.855 4.855
146 H VAL 22 HN VAL 22 -6.355 2.801 2.801
147 HA VAL 22 HA VAL 22 -8.881 2.787 2.787
148 HB VAL 22 HB VAL 22 -7.779 1.227 1.227
149 1HG1 VAL 22 HG12 VAL 22 -8.657 0.528 0.528
150 2HG1 VAL 22 HG11 VAL 22 -6.998 0.634 0.634
151 3HG1 VAL 22 HG13 VAL 22 -7.413 -0.525 -0.525
152 1HG2 VAL 22 HG21 VAL 22 -5.345 2.173 2.173
153 2HG2 VAL 22 HG23 VAL 22 -5.578 2.048 2.048
154 3HG2 VAL 22 HG22 VAL 22 -5.373 0.589 0.589
155 H THR 23 HN THR 23 -9.080 2.960 2.960
156 HA THR 23 HA THR 23 -7.438 5.206 5.206
157 HB THR 23 HB THR 23 -9.632 6.014 6.014
158 HG1 THR 23 HG1 THR 23 -10.941 4.292 4.292
159 1HG2 THR 23 HG23 THR 23 -8.895 6.204 6.204
160 2HG2 THR 23 HG22 THR 23 -10.375 6.980 6.980
161 3HG2 THR 23 HG21 THR 23 -8.819 7.443 7.443
162 HA PRO 24 HA PRO 24 -6.614 3.189 3.189
163 1HB PRO 24 HB2 PRO 24 -8.345 5.067 5.067
164 2HB PRO 24 HB1 PRO 24 -6.597 4.813 4.813
165 1HG PRO 24 HG2 PRO 24 -8.006 6.872 6.872
166 2HG PRO 24 HG1 PRO 24 -6.260 6.666 6.666
167 1HD PRO 24 HD2 PRO 24 -7.581 6.399 6.399
168 2HD PRO 24 HD1 PRO 24 -6.014 5.651 5.651
169 H SER 25 HN SER 25 -9.997 4.064 4.064
170 HA SER 25 HA SER 25 -11.122 2.228 2.228
171 1HB SER 25 HB2 SER 25 -12.525 3.305 3.305
172 2HB SER 25 HB1 SER 25 -13.225 2.857 2.857
173 HG SER 25 HG SER 25 -11.285 4.715 4.715
174 H GLN 26 HN GLN 26 -10.811 2.197 2.197
175 HA GLN 26 HA GLN 26 -11.861 -0.412 -0.412
176 1HB GLN 26 HB2 GLN 26 -10.110 1.397 1.397
177 2HB GLN 26 HB1 GLN 26 -10.375 -0.269 -0.269
178 1HG GLN 26 HG2 GLN 26 -12.893 0.245 0.245
179 2HG GLN 26 HG1 GLN 26 -12.401 1.938 1.938
180 1HE2 GLN 26 HE22 GLN 26 -11.382 1.803 1.803
181 2HE2 GLN 26 HE21 GLN 26 -10.950 2.519 2.519
182 H CYS 27 HN CYS 27 -8.496 0.763 0.763
183 HA CYS 27 HA CYS 27 -7.264 -1.782 -1.782
184 1HB CYS 27 HB2 CYS 27 -6.161 0.544 0.544
185 2HB CYS 27 HB1 CYS 27 -6.232 0.444 0.444
186 H ALA 28 HN ALA 28 -8.894 -0.181 -0.181
187 HA ALA 28 HA ALA 28 -7.937 -2.135 -2.135
188 1HB ALA 28 HB1 ALA 28 -9.745 0.263 0.263
189 2HB ALA 28 HB3 ALA 28 -9.790 -0.901 -0.901
190 3HB ALA 28 HB2 ALA 28 -8.289 -0.060 -0.060
191 H ASN 29 HN ASN 29 -10.399 -2.000 -2.000
192 HA ASN 29 HA ASN 29 -12.272 -3.684 -3.684
193 1HB ASN 29 HB2 ASN 29 -12.840 -1.850 -1.850
194 2HB ASN 29 HB1 ASN 29 -12.441 -3.107 -3.107
195 1HD2 ASN 29 HD22 ASN 29 -15.751 -3.608 -3.608
196 2HD2 ASN 29 HD21 ASN 29 -14.517 -2.555 -2.555
197 H LYS 30 HN LYS 30 -9.663 -4.000 -4.000
198 HA LYS 30 HA LYS 30 -10.405 -6.762 -6.762
199 1HB LYS 30 HB2 LYS 30 -9.226 -4.911 -4.911
200 2HB LYS 30 HB1 LYS 30 -7.774 -5.595 -5.595
201 1HG LYS 30 HG2 LYS 30 -8.078 -7.663 -7.663
202 2HG LYS 30 HG1 LYS 30 -9.832 -7.487 -7.487
203 1HD LYS 30 HD2 LYS 30 -9.282 -5.539 -5.539
204 2HD LYS 30 HD1 LYS 30 -7.746 -6.389 -6.389
205 1HE LYS 30 HE2 LYS 30 -9.421 -7.146 -7.146
206 2HE LYS 30 HE1 LYS 30 -8.923 -8.452 -8.452
207 1HZ LYS 30 HZ3 LYS 30 -11.078 -7.033 -7.033
208 2HZ LYS 30 HZ2 LYS 30 -11.466 -7.543 -7.543
209 3HZ LYS 30 HZ1 LYS 30 -10.970 -8.675 -8.675
210 H GLY 31 HN GLY 31 -8.097 -4.959 -4.959
211 1HA GLY 31 HA2 GLY 31 -7.276 -6.008 -6.008
212 2HA GLY 31 HA1 GLY 31 -7.257 -7.548 -7.548
213 H CYS 32 HN CYS 32 -6.030 -4.349 -4.349
214 HA CYS 32 HA CYS 32 -3.310 -5.534 -5.534
215 1HB CYS 32 HB2 CYS 32 -4.829 -4.124 -4.124
216 2HB CYS 32 HB1 CYS 32 -3.072 -3.976 -3.976
217 H CYS 33 HN CYS 33 -1.587 -4.004 -4.004
218 HA CYS 33 HA CYS 33 -2.327 -1.805 -1.805
219 1HB CYS 33 HB2 CYS 33 0.362 -2.465 -2.465
220 2HB CYS 33 HB1 CYS 33 0.081 -1.382 -1.382
221 H PHE 34 HN PHE 34 -2.545 0.358 0.358
222 HA PHE 34 HA PHE 34 -2.102 1.044 1.044
223 1HB PHE 34 HB2 PHE 34 -4.431 1.281 1.281
224 2HB PHE 34 HB1 PHE 34 -3.816 2.479 2.479
225 HD1 PHE 34 HD2 PHE 34 -4.536 1.756 1.756
226 HD2 PHE 34 HD1 PHE 34 -3.058 4.673 4.673
227 HE1 PHE 34 HE2 PHE 34 -4.715 3.511 3.511
228 HE2 PHE 34 HE1 PHE 34 -3.236 6.427 6.427
229 HZ PHE 34 HZ PHE 34 -4.065 5.847 5.847
230 H ASP 35 HN ASP 35 -0.412 2.406 2.406
231 HA ASP 35 HA ASP 35 0.423 4.302 4.302
232 1HB ASP 35 HB2 ASP 35 1.838 2.125 2.125
233 2HB ASP 35 HB1 ASP 35 2.463 2.788 2.788
234 H ASP 36 HN ASP 36 0.310 6.306 6.306
235 HA ASP 36 HA ASP 36 0.912 6.519 6.519
236 1HB ASP 36 HB2 ASP 36 -0.447 8.655 8.655
237 2HB ASP 36 HB1 ASP 36 -1.368 7.173 7.173
238 H THR 37 HN THR 37 3.226 6.509 6.509
239 HA THR 37 HA THR 37 3.918 9.173 9.173
240 HB THR 37 HB THR 37 6.203 8.036 8.036
241 HG1 THR 37 HG1 THR 37 5.292 5.579 5.579
242 1HG2 THR 37 HG22 THR 37 4.201 8.281 8.281
243 2HG2 THR 37 HG21 THR 37 4.099 6.531 6.531
244 3HG2 THR 37 HG23 THR 37 5.589 7.267 7.267
245 H VAL 38 HN VAL 38 5.576 6.914 6.914
246 HA VAL 38 HA VAL 38 6.422 9.262 9.262
247 HB VAL 38 HB VAL 38 7.256 6.359 6.359
248 1HG1 VAL 38 HG13 VAL 38 8.038 8.938 8.938
249 2HG1 VAL 38 HG12 VAL 38 9.302 7.745 7.745
250 3HG1 VAL 38 HG11 VAL 38 7.913 7.324 7.324
251 1HG2 VAL 38 HG21 VAL 38 8.179 8.595 8.595
252 2HG2 VAL 38 HG23 VAL 38 8.140 6.861 6.861
253 3HG2 VAL 38 HG22 VAL 38 9.409 7.543 7.543
254 H ARG 39 HN ARG 39 6.136 9.267 9.267
255 HA ARG 39 HA ARG 39 3.621 7.955 7.955
256 1HB ARG 39 HB2 ARG 39 4.052 10.427 10.427
257 2HB ARG 39 HB1 ARG 39 5.258 9.949 9.949
258 1HG ARG 39 HG2 ARG 39 3.678 9.130 9.130
259 2HG ARG 39 HG1 ARG 39 2.537 8.726 8.726
260 1HD ARG 39 HD2 ARG 39 1.551 10.601 10.601
261 2HD ARG 39 HD1 ARG 39 2.370 11.290 11.290
262 HE ARG 39 HE ARG 39 3.283 11.489 11.489
263 1HH1 ARG 39 HH21 ARG 39 3.603 12.290 12.290
264 2HH1 ARG 39 HH22 ARG 39 4.711 13.591 13.591
265 1HH2 ARG 39 HH11 ARG 39 4.736 13.197 13.197
266 2HH2 ARG 39 HH12 ARG 39 5.349 14.101 14.101
267 H GLY 40 HN GLY 40 3.694 7.342 7.342
268 1HA GLY 40 HA2 GLY 40 4.696 6.101 6.101
269 2HA GLY 40 HA1 GLY 40 6.223 6.177 6.177
270 H VAL 41 HN VAL 41 5.430 5.115 5.115
271 HA VAL 41 HA VAL 41 5.227 2.291 2.291
272 HB VAL 41 HB VAL 41 5.605 1.956 1.956
273 1HG1 VAL 41 HG11 VAL 41 7.405 3.588 3.588
274 2HG1 VAL 41 HG13 VAL 41 7.863 3.370 3.370
275 3HG1 VAL 41 HG12 VAL 41 7.641 1.965 1.965
276 1HG2 VAL 41 HG23 VAL 41 4.430 4.151 4.151
277 2HG2 VAL 41 HG22 VAL 41 5.931 3.824 3.824
278 3HG2 VAL 41 HG21 VAL 41 5.919 4.965 4.965
279 HA PRO 42 HA PRO 42 0.967 1.848 1.848
280 1HB PRO 42 HB2 PRO 42 1.079 -0.743 -0.743
281 2HB PRO 42 HB1 PRO 42 0.966 -0.319 -0.319
282 1HG PRO 42 HG2 PRO 42 3.145 -1.551 -1.551
283 2HG PRO 42 HG1 PRO 42 3.049 -1.072 -1.072
284 1HD PRO 42 HD2 PRO 42 4.357 0.314 0.314
285 2HD PRO 42 HD1 PRO 42 4.667 0.454 0.454
286 H TRP 43 HN TRP 43 -0.318 2.342 2.342
287 HA TRP 43 HA TRP 43 1.024 2.530 2.530
288 1HB TRP 43 HB2 TRP 43 -1.826 3.263 3.263
289 2HB TRP 43 HB1 TRP 43 -0.931 3.780 3.780
290 HD1 TRP 43 HD1 TRP 43 1.817 4.520 4.520
291 HE1 TRP 43 HE1 TRP 43 1.927 6.644 6.644
292 HE3 TRP 43 HE3 TRP 43 -3.155 5.191 5.191
293 HZ2 TRP 43 HZ2 TRP 43 0.145 8.397 8.397
294 HZ3 TRP 43 HZ3 TRP 43 -3.918 7.094 7.094
295 HH2 TRP 43 HH2 TRP 43 -2.276 8.697 8.697
296 H CYS 44 HN CYS 44 -1.951 0.970 0.970
297 HA CYS 44 HA CYS 44 -2.365 -0.521 -0.521
298 1HB CYS 44 HB2 CYS 44 -4.166 0.205 0.205
299 2HB CYS 44 HB1 CYS 44 -3.588 -1.100 -1.100
300 H PHE 45 HN PHE 45 -0.739 -1.990 -1.990
301 HA PHE 45 HA PHE 45 -0.236 -4.064 -4.064
302 1HB PHE 45 HB2 PHE 45 2.178 -4.095 -4.095
303 2HB PHE 45 HB1 PHE 45 1.733 -2.732 -2.732
304 HD1 PHE 45 HD2 PHE 45 1.797 -3.721 -3.721
305 HD2 PHE 45 HD1 PHE 45 2.214 -0.571 -0.571
306 HE1 PHE 45 HE2 PHE 45 2.440 -2.150 -2.150
307 HE2 PHE 45 HE1 PHE 45 2.859 1.000 1.000
308 HZ PHE 45 HZ PHE 45 2.972 0.210 0.210
309 H TYR 46 HN TYR 46 1.197 -5.894 -5.894
310 HA TYR 46 HA TYR 46 -0.488 -6.599 -6.599
311 1HB TYR 46 HB2 TYR 46 1.444 -8.138 -8.138
312 2HB TYR 46 HB1 TYR 46 0.783 -8.815 -8.815
313 HD1 TYR 46 HD2 TYR 46 -1.671 -9.154 -9.154
314 HD2 TYR 46 HD1 TYR 46 0.089 -7.879 -7.879
315 HE1 TYR 46 HE2 TYR 46 -3.757 -9.759 -9.759
316 HE2 TYR 46 HE1 TYR 46 -1.996 -8.483 -8.483
317 HH TYR 46 HH TYR 46 -4.019 -10.324 -10.324
318 HA PRO 47 HA PRO 47 2.864 -6.021 -6.021
319 1HB PRO 47 HB2 PRO 47 1.965 -7.751 -7.751
320 2HB PRO 47 HB1 PRO 47 1.307 -6.134 -6.134
321 1HG PRO 47 HG2 PRO 47 0.020 -8.659 -8.659
322 2HG PRO 47 HG1 PRO 47 -0.634 -7.039 -7.039
323 1HD PRO 47 HD2 PRO 47 0.493 -8.970 -8.970
324 2HD PRO 47 HD1 PRO 47 -0.620 -7.613 -7.613
325 H ASN 48 HN ASN 48 3.980 -7.796 -7.796
326 HA ASN 48 HA ASN 48 4.731 -10.266 -10.266
327 1HB ASN 48 HB2 ASN 48 6.510 -7.863 -7.863
328 2HB ASN 48 HB1 ASN 48 7.242 -9.450 -9.450
329 1HD2 ASN 48 HD22 ASN 48 6.334 -8.322 -8.322
330 2HD2 ASN 48 HD21 ASN 48 6.399 -7.252 -7.252
331 H THR 49 HN THR 49 4.733 -11.715 -11.715
332 HA THR 49 HA THR 49 4.848 -10.912 -10.912
333 HB THR 49 HB THR 49 5.292 -13.492 -13.492
334 HG1 THR 49 HG1 THR 49 4.124 -13.733 -13.733
335 1HG2 THR 49 HG23 THR 49 3.122 -12.167 -12.167
336 2HG2 THR 49 HG22 THR 49 2.735 -12.644 -12.644
337 3HG2 THR 49 HG21 THR 49 2.947 -13.874 -13.874
338 H ILE 50 HN ILE 50 6.774 -9.785 -9.785
339 HA ILE 50 HA ILE 50 9.239 -11.428 -11.428
340 HB ILE 50 HB ILE 50 9.073 -8.421 -8.421
341 1HG1 ILE 50 HG12 ILE 50 9.655 -10.538 -10.538
342 2HG1 ILE 50 HG11 ILE 50 8.072 -9.786 -9.786
343 1HG2 ILE 50 HG23 ILE 50 11.297 -10.459 -10.459
344 2HG2 ILE 50 HG22 ILE 50 11.455 -8.931 -8.931
345 3HG2 ILE 50 HG21 ILE 50 11.215 -8.931 -8.931
346 1HD1 ILE 50 HD11 ILE 50 9.186 -7.543 -7.543
347 2HD1 ILE 50 HD13 ILE 50 10.671 -8.398 -8.398
348 3HD1 ILE 50 HD12 ILE 50 9.242 -8.565 -8.565
349 H ASP 51 HN ASP 51 10.952 -10.522 -10.522
350 HA ASP 51 HA ASP 51 9.709 -10.390 -10.390
351 1HB ASP 51 HB2 ASP 51 12.069 -10.163 -10.163
352 2HB ASP 51 HB1 ASP 51 11.832 -11.552 -11.552
353 H VAL 52 HN VAL 52 11.057 -8.565 -8.565
354 HA VAL 52 HA VAL 52 9.998 -6.044 -6.044
355 HB VAL 52 HB VAL 52 10.602 -5.194 -5.194
356 1HG1 VAL 52 HG12 VAL 52 8.970 -7.735 -7.735
357 2HG1 VAL 52 HG11 VAL 52 8.999 -6.731 -6.731
358 3HG1 VAL 52 HG13 VAL 52 8.383 -6.072 -6.072
359 1HG2 VAL 52 HG21 VAL 52 12.546 -6.737 -6.737
360 2HG2 VAL 52 HG23 VAL 52 11.418 -6.773 -6.773
361 3HG2 VAL 52 HG22 VAL 52 11.413 -8.079 -8.079
362 HA PRO 53 HA PRO 53 13.581 -4.182 -4.182
363 1HB PRO 53 HB2 PRO 53 13.399 -1.967 -1.967
364 2HB PRO 53 HB1 PRO 53 13.191 -1.951 -1.951
365 1HG PRO 53 HG2 PRO 53 11.172 -1.974 -1.974
366 2HG PRO 53 HG1 PRO 53 10.972 -1.840 -1.840
367 1HD PRO 53 HD2 PRO 53 10.170 -4.020 -4.020
368 2HD PRO 53 HD1 PRO 53 10.543 -4.075 -4.075
369 HA PRO 54 HA PRO 54 17.363 -5.257 -5.257
370 1HB PRO 54 HB2 PRO 54 18.276 -2.463 -2.463
371 2HB PRO 54 HB1 PRO 54 18.958 -3.899 -3.899
372 1HG PRO 54 HG2 PRO 54 17.271 -1.880 -1.880
373 2HG PRO 54 HG1 PRO 54 18.027 -3.270 -3.270
374 1HD PRO 54 HD2 PRO 54 15.306 -2.984 -2.984
375 2HD PRO 54 HD1 PRO 54 16.128 -4.541 -4.541
376 H GLU 55 HN GLU 55 16.256 -1.964 -1.964
377 HA GLU 55 HA GLU 55 16.550 -2.860 -2.860
378 1HB GLU 55 HB2 GLU 55 17.261 -0.169 -0.169
379 2HB GLU 55 HB1 GLU 55 17.223 -0.508 -0.508
380 1HG GLU 55 HG2 GLU 55 18.836 -2.450 -2.450
381 2HG GLU 55 HG1 GLU 55 19.070 -1.663 -1.663
382 H GLU 56 HN GLU 56 15.038 -1.817 -1.817
383 HA GLU 56 HA GLU 56 12.537 -1.055 -1.055
384 1HB GLU 56 HB2 GLU 56 13.256 -2.176 -2.176
385 2HB GLU 56 HB1 GLU 56 11.783 -1.214 -1.214
386 1HG GLU 56 HG2 GLU 56 12.324 -3.378 -3.378
387 2HG GLU 56 HG1 GLU 56 11.670 -3.803 -3.803
388 H GLU 57 HN GLU 57 12.665 1.146 1.146
389 HA GLU 57 HA GLU 57 12.784 2.940 2.940
390 1HB GLU 57 HB2 GLU 57 15.110 2.593 2.593
391 2HB GLU 57 HB1 GLU 57 14.406 3.720 3.720
392 1HG GLU 57 HG2 GLU 57 13.928 5.300 5.300
393 2HG GLU 57 HG1 GLU 57 14.710 4.188 4.188
394 H SER 58 HN SER 58 10.714 3.756 3.756
395 HA SER 58 HA SER 58 10.223 5.242 5.242
396 1HB SER 58 HB2 SER 58 7.895 4.299 4.299
397 2HB SER 58 HB1 SER 58 9.149 3.113 3.113
398 HG SER 58 HG SER 58 8.114 2.063 2.063
399 H GLU 59 HN GLU 59 9.083 7.153 7.153
400 HA GLU 59 HA GLU 59 8.332 7.647 7.647
401 1HB GLU 59 HB2 GLU 59 8.478 10.059 10.059
402 2HB GLU 59 HB1 GLU 59 10.003 9.196 9.196
403 1HG GLU 59 HG2 GLU 59 9.373 8.825 8.825
404 2HG GLU 59 HG1 GLU 59 8.014 9.922 9.922
405 H PHE 60 HN PHE 60 6.296 8.751 8.751
406 HA PHE 60 HA PHE 60 4.352 8.527 8.527
407 1HB PHE 60 HB2 PHE 60 3.853 8.017 8.017
408 2HB PHE 60 HB1 PHE 60 2.661 7.883 7.883
409 HD1 PHE 60 HD2 PHE 60 2.964 6.149 6.149
410 HD2 PHE 60 HD1 PHE 60 5.424 6.267 6.267
411 HE1 PHE 60 HE2 PHE 60 3.688 3.816 3.816
412 HE2 PHE 60 HE1 PHE 60 6.148 3.935 3.935
413 HZ PHE 60 HZ PHE 60 5.280 2.709 2.709
Start of MODEL 10
1 1H GLU 1 HT3 GLU 1 3.894 -13.646 -13.646
2 2H GLU 1 HT2 GLU 1 4.828 -14.706 -14.706
3 3H GLU 1 HT1 GLU 1 4.145 -15.240 -15.240
4 HA GLU 1 HA GLU 1 5.626 -14.126 -14.126
5 1HB GLU 1 HB2 GLU 1 6.806 -15.204 -15.204
6 2HB GLU 1 HB1 GLU 1 7.871 -14.295 -14.295
7 1HG GLU 1 HG2 GLU 1 6.092 -16.490 -16.490
8 2HG GLU 1 HG1 GLU 1 7.685 -16.845 -16.845
9 H ALA 2 HN ALA 2 6.361 -12.933 -12.933
10 HA ALA 2 HA ALA 2 5.907 -10.192 -10.192
11 1HB ALA 2 HB3 ALA 2 8.074 -10.570 -10.570
12 2HB ALA 2 HB2 ALA 2 8.768 -11.121 -11.121
13 3HB ALA 2 HB1 ALA 2 8.249 -9.444 -9.444
14 H GLN 3 HN GLN 3 4.996 -11.930 -11.930
15 HA GLN 3 HA GLN 3 6.427 -10.863 -10.863
16 1HB GLN 3 HB2 GLN 3 4.775 -13.299 -13.299
17 2HB GLN 3 HB1 GLN 3 4.759 -12.621 -12.621
18 1HG GLN 3 HG2 GLN 3 6.545 -14.218 -14.218
19 2HG GLN 3 HG1 GLN 3 7.302 -12.626 -12.626
20 1HE2 GLN 3 HE22 GLN 3 7.593 -15.128 -15.128
21 2HE2 GLN 3 HE21 GLN 3 6.596 -15.528 -15.528
22 H THR 4 HN THR 4 5.362 -9.492 -9.492
23 HA THR 4 HA THR 4 2.465 -9.087 -9.087
24 HB THR 4 HB THR 4 2.898 -6.583 -6.583
25 HG1 THR 4 HG1 THR 4 5.310 -7.369 -7.369
26 1HG2 THR 4 HG21 THR 4 2.346 -7.915 -7.915
27 2HG2 THR 4 HG23 THR 4 4.075 -7.935 -7.935
28 3HG2 THR 4 HG22 THR 4 3.207 -6.401 -6.401
29 H GLU 5 HN GLU 5 1.716 -7.436 -7.436
30 HA GLU 5 HA GLU 5 2.793 -8.492 -8.492
31 1HB GLU 5 HB2 GLU 5 0.389 -6.843 -6.843
32 2HB GLU 5 HB1 GLU 5 0.886 -6.987 -6.987
33 1HG GLU 5 HG2 GLU 5 0.592 -9.454 -9.454
34 2HG GLU 5 HG1 GLU 5 -0.832 -8.711 -8.711
35 H THR 6 HN THR 6 3.859 -7.238 -7.238
36 HA THR 6 HA THR 6 4.332 -4.395 -4.395
37 HB THR 6 HB THR 6 6.568 -6.048 -6.048
38 HG1 THR 6 HG1 THR 6 7.163 -6.669 -6.669
39 1HG2 THR 6 HG21 THR 6 6.341 -3.418 -3.418
40 2HG2 THR 6 HG23 THR 6 6.869 -3.927 -3.927
41 3HG2 THR 6 HG22 THR 6 7.872 -4.273 -4.273
42 H CYS 7 HN CYS 7 4.185 -3.058 -3.058
43 HA CYS 7 HA CYS 7 3.787 -4.402 -4.402
44 1HB CYS 7 HB2 CYS 7 3.019 -1.598 -1.598
45 2HB CYS 7 HB1 CYS 7 2.595 -2.367 -2.367
46 H THR 8 HN THR 8 6.440 -3.772 -3.772
47 HA THR 8 HA THR 8 7.477 -1.505 -1.505
48 HB THR 8 HB THR 8 8.437 -2.057 -2.057
49 HG1 THR 8 HG1 THR 8 9.888 -1.182 -1.182
50 1HG2 THR 8 HG23 THR 8 7.963 -4.607 -4.607
51 2HG2 THR 8 HG22 THR 8 9.606 -4.585 -4.585
52 3HG2 THR 8 HG21 THR 8 9.306 -4.138 -4.138
53 H VAL 9 HN VAL 9 7.948 -1.641 -1.641
54 HA VAL 9 HA VAL 9 9.292 -4.049 -4.049
55 HB VAL 9 HB VAL 9 6.765 -2.986 -2.986
56 1HG1 VAL 9 HG13 VAL 9 8.771 -5.127 -5.127
57 2HG1 VAL 9 HG12 VAL 9 7.095 -5.311 -5.311
58 3HG1 VAL 9 HG11 VAL 9 8.040 -3.925 -3.925
59 1HG2 VAL 9 HG21 VAL 9 7.274 -5.453 -5.453
60 2HG2 VAL 9 HG23 VAL 9 6.159 -4.133 -4.133
61 3HG2 VAL 9 HG22 VAL 9 5.832 -5.225 -5.225
62 H ALA 10 HN ALA 10 10.398 -3.643 -3.643
63 HA ALA 10 HA ALA 10 11.148 -0.846 -0.846
64 1HB ALA 10 HB2 ALA 10 12.576 -3.111 -3.111
65 2HB ALA 10 HB1 ALA 10 12.089 -2.901 -2.901
66 3HB ALA 10 HB3 ALA 10 12.996 -1.631 -1.631
67 HA PRO 11 HA PRO 11 8.476 0.750 0.750
68 1HB PRO 11 HB2 PRO 11 10.793 1.061 1.061
69 2HB PRO 11 HB1 PRO 11 9.721 2.295 2.295
70 1HG PRO 11 HG2 PRO 11 12.332 1.527 1.527
71 2HG PRO 11 HG1 PRO 11 11.276 2.793 2.793
72 1HD PRO 11 HD2 PRO 11 11.958 0.482 0.482
73 2HD PRO 11 HD1 PRO 11 10.521 1.469 1.469
74 H ARG 12 HN ARG 12 11.153 -1.022 -1.022
75 HA ARG 12 HA ARG 12 9.386 -2.067 -2.067
76 1HB ARG 12 HB2 ARG 12 11.378 -3.492 -3.492
77 2HB ARG 12 HB1 ARG 12 11.711 -1.762 -1.762
78 1HG ARG 12 HG2 ARG 12 13.133 -1.946 -1.946
79 2HG ARG 12 HG1 ARG 12 12.106 -3.115 -3.115
80 1HD ARG 12 HD2 ARG 12 13.783 -4.567 -4.567
81 2HD ARG 12 HD1 ARG 12 12.948 -4.623 -4.623
82 HE ARG 12 HE ARG 12 14.646 -3.262 -3.262
83 1HH1 ARG 12 HH11 ARG 12 15.012 -3.705 -3.705
84 2HH1 ARG 12 HH12 ARG 12 16.632 -3.090 -3.090
85 1HH2 ARG 12 HH21 ARG 12 16.767 -2.459 -2.459
86 2HH2 ARG 12 HH22 ARG 12 17.620 -2.388 -2.388
87 H GLU 13 HN GLU 13 10.548 -3.231 -3.231
88 HA GLU 13 HA GLU 13 9.629 -5.944 -5.944
89 1HB GLU 13 HB2 GLU 13 10.762 -4.434 -4.434
90 2HB GLU 13 HB1 GLU 13 9.995 -6.002 -6.002
91 1HG GLU 13 HG2 GLU 13 11.498 -6.957 -6.957
92 2HG GLU 13 HG1 GLU 13 12.333 -5.404 -5.404
93 H ARG 14 HN ARG 14 7.928 -3.145 -3.145
94 HA ARG 14 HA ARG 14 6.026 -3.894 -3.894
95 1HB ARG 14 HB2 ARG 14 6.026 -1.831 -1.831
96 2HB ARG 14 HB1 ARG 14 4.652 -2.054 -2.054
97 1HG ARG 14 HG2 ARG 14 6.473 -1.866 -1.866
98 2HG ARG 14 HG1 ARG 14 7.417 -1.069 -1.069
99 1HD ARG 14 HD2 ARG 14 5.801 0.652 0.652
100 2HD ARG 14 HD1 ARG 14 4.576 -0.252 -0.252
101 HE ARG 14 HE ARG 14 6.602 0.099 0.099
102 1HH1 ARG 14 HH11 ARG 14 4.737 2.195 2.195
103 2HH1 ARG 14 HH12 ARG 14 4.826 3.550 3.550
104 1HH2 ARG 14 HH21 ARG 14 6.703 1.887 1.887
105 2HH2 ARG 14 HH22 ARG 14 5.934 3.375 3.375
106 H GLN 15 HN GLN 15 4.278 -5.245 -5.245
107 HA GLN 15 HA GLN 15 3.807 -6.467 -6.467
108 1HB GLN 15 HB2 GLN 15 2.657 -6.993 -6.993
109 2HB GLN 15 HB1 GLN 15 2.198 -7.892 -7.892
110 1HG GLN 15 HG2 GLN 15 5.113 -7.635 -7.635
111 2HG GLN 15 HG1 GLN 15 4.189 -8.704 -8.704
112 1HE2 GLN 15 HE21 GLN 15 5.115 -8.153 -8.153
113 2HE2 GLN 15 HE22 GLN 15 4.731 -9.719 -9.719
114 H ASN 16 HN ASN 16 2.524 -5.254 -5.254
115 HA ASN 16 HA ASN 16 0.719 -3.256 -3.256
116 1HB ASN 16 HB2 ASN 16 1.689 -3.685 -3.685
117 2HB ASN 16 HB1 ASN 16 0.417 -4.891 -4.891
118 1HD2 ASN 16 HD22 ASN 16 -0.638 -1.307 -1.307
119 2HD2 ASN 16 HD21 ASN 16 0.852 -2.084 -2.084
120 H CYS 17 HN CYS 17 -0.935 -3.724 -3.724
121 HA CYS 17 HA CYS 17 -2.419 -6.229 -6.229
122 1HB CYS 17 HB2 CYS 17 -1.760 -4.792 -4.792
123 2HB CYS 17 HB1 CYS 17 -3.303 -4.022 -4.022
124 H GLY 18 HN GLY 18 -2.575 -3.020 -3.020
125 1HA GLY 18 HA2 GLY 18 -4.816 -3.503 -3.503
126 2HA GLY 18 HA1 GLY 18 -5.364 -2.617 -2.617
127 H PHE 19 HN PHE 19 -5.521 -1.398 -1.398
128 HA PHE 19 HA PHE 19 -3.265 0.137 0.137
129 1HB PHE 19 HB2 PHE 19 -5.034 1.728 1.728
130 2HB PHE 19 HB1 PHE 19 -5.031 0.074 0.074
131 HD1 PHE 19 HD2 PHE 19 -6.707 -1.576 -1.576
132 HD2 PHE 19 HD1 PHE 19 -6.930 2.640 2.640
133 HE1 PHE 19 HE2 PHE 19 -9.080 -1.829 -1.829
134 HE2 PHE 19 HE1 PHE 19 -9.312 2.384 2.384
135 HZ PHE 19 HZ PHE 19 -10.381 0.150 0.150
136 HA PRO 20 HA PRO 20 -3.095 3.316 3.316
137 1HB PRO 20 HB2 PRO 20 -2.485 5.542 5.542
138 2HB PRO 20 HB1 PRO 20 -1.331 4.343 4.343
139 1HG PRO 20 HG2 PRO 20 -2.158 4.816 4.816
140 2HG PRO 20 HG1 PRO 20 -0.984 3.635 3.635
141 1HD PRO 20 HD2 PRO 20 -3.755 3.214 3.214
142 2HD PRO 20 HD1 PRO 20 -2.470 2.022 2.022
143 H GLY 21 HN GLY 21 -5.174 4.090 4.090
144 1HA GLY 21 HA2 GLY 21 -6.459 6.366 6.366
145 2HA GLY 21 HA1 GLY 21 -7.159 5.278 5.278
146 H VAL 22 HN VAL 22 -6.415 3.192 3.192
147 HA VAL 22 HA VAL 22 -9.083 2.782 2.782
148 HB VAL 22 HB VAL 22 -8.058 1.386 1.386
149 1HG1 VAL 22 HG13 VAL 22 -6.857 1.064 1.064
150 2HG1 VAL 22 HG12 VAL 22 -6.950 -0.200 -0.200
151 3HG1 VAL 22 HG11 VAL 22 -8.427 0.454 0.454
152 1HG2 VAL 22 HG21 VAL 22 -5.552 2.674 2.674
153 2HG2 VAL 22 HG23 VAL 22 -6.094 2.605 2.605
154 3HG2 VAL 22 HG22 VAL 22 -5.507 1.145 1.145
155 H THR 23 HN THR 23 -9.282 2.649 2.649
156 HA THR 23 HA THR 23 -8.460 5.255 5.255
157 HB THR 23 HB THR 23 -10.943 5.325 5.325
158 HG1 THR 23 HG1 THR 23 -11.336 3.269 3.269
159 1HG2 THR 23 HG21 THR 23 -9.759 6.964 6.964
160 2HG2 THR 23 HG23 THR 23 -10.393 6.038 6.038
161 3HG2 THR 23 HG22 THR 23 -11.500 6.843 6.843
162 HA PRO 24 HA PRO 24 -7.488 3.383 3.383
163 1HB PRO 24 HB2 PRO 24 -9.682 4.816 4.816
164 2HB PRO 24 HB1 PRO 24 -7.935 4.949 4.949
165 1HG PRO 24 HG2 PRO 24 -9.663 6.671 6.671
166 2HG PRO 24 HG1 PRO 24 -7.933 6.852 6.852
167 1HD PRO 24 HD2 PRO 24 -8.991 6.340 6.340
168 2HD PRO 24 HD1 PRO 24 -7.327 5.953 5.953
169 H SER 25 HN SER 25 -10.933 3.544 3.544
170 HA SER 25 HA SER 25 -11.741 1.449 1.449
171 1HB SER 25 HB2 SER 25 -13.243 3.268 3.268
172 2HB SER 25 HB1 SER 25 -13.196 2.379 2.379
173 HG SER 25 HG SER 25 -13.700 0.736 0.736
174 H GLN 26 HN GLN 26 -11.199 1.622 1.622
175 HA GLN 26 HA GLN 26 -11.731 -1.115 -1.115
176 1HB GLN 26 HB2 GLN 26 -10.132 0.995 0.995
177 2HB GLN 26 HB1 GLN 26 -10.216 -0.660 -0.660
178 1HG GLN 26 HG2 GLN 26 -12.596 -0.548 -0.548
179 2HG GLN 26 HG1 GLN 26 -12.683 0.961 0.961
180 1HE2 GLN 26 HE22 GLN 26 -12.169 1.150 1.150
181 2HE2 GLN 26 HE21 GLN 26 -12.674 -0.248 -0.248
182 H CYS 27 HN CYS 27 -8.700 0.615 0.615
183 HA CYS 27 HA CYS 27 -7.025 -1.685 -1.685
184 1HB CYS 27 HB2 CYS 27 -6.421 0.869 0.869
185 2HB CYS 27 HB1 CYS 27 -6.399 0.574 0.574
186 H ALA 28 HN ALA 28 -9.090 -0.441 -0.441
187 HA ALA 28 HA ALA 28 -7.925 -2.288 -2.288
188 1HB ALA 28 HB3 ALA 28 -8.636 0.030 0.030
189 2HB ALA 28 HB2 ALA 28 -10.300 -0.427 -0.427
190 3HB ALA 28 HB1 ALA 28 -9.428 -1.230 -1.230
191 H ASN 29 HN ASN 29 -10.218 -2.458 -2.458
192 HA ASN 29 HA ASN 29 -12.313 -3.935 -3.935
193 1HB ASN 29 HB2 ASN 29 -12.164 -2.889 -2.889
194 2HB ASN 29 HB1 ASN 29 -11.368 -4.397 -4.397
195 1HD2 ASN 29 HD22 ASN 29 -15.190 -4.596 -4.596
196 2HD2 ASN 29 HD21 ASN 29 -14.117 -3.370 -3.370
197 H LYS 30 HN LYS 30 -9.378 -5.061 -5.061
198 HA LYS 30 HA LYS 30 -9.905 -7.801 -7.801
199 1HB LYS 30 HB2 LYS 30 -7.762 -6.556 -6.556
200 2HB LYS 30 HB1 LYS 30 -7.782 -8.264 -8.264
201 1HG LYS 30 HG2 LYS 30 -9.059 -8.521 -8.521
202 2HG LYS 30 HG1 LYS 30 -10.365 -7.886 -7.886
203 1HD LYS 30 HD2 LYS 30 -10.543 -6.275 -6.275
204 2HD LYS 30 HD1 LYS 30 -9.112 -5.575 -5.575
205 1HE LYS 30 HE2 LYS 30 -9.165 -7.487 -7.487
206 2HE LYS 30 HE1 LYS 30 -8.709 -5.786 -5.786
207 1HZ LYS 30 HZ3 LYS 30 -6.952 -6.366 -6.366
208 2HZ LYS 30 HZ2 LYS 30 -7.323 -8.004 -8.004
209 3HZ LYS 30 HZ1 LYS 30 -6.753 -7.042 -7.042
210 H GLY 31 HN GLY 31 -7.516 -5.188 -5.188
211 1HA GLY 31 HA2 GLY 31 -6.798 -5.088 -5.088
212 2HA GLY 31 HA1 GLY 31 -6.421 -6.800 -6.800
213 H CYS 32 HN CYS 32 -5.841 -4.712 -4.712
214 HA CYS 32 HA CYS 32 -3.018 -5.338 -5.338
215 1HB CYS 32 HB2 CYS 32 -4.352 -3.289 -3.289
216 2HB CYS 32 HB1 CYS 32 -2.873 -4.188 -4.188
217 H CYS 33 HN CYS 33 -1.345 -4.003 -4.003
218 HA CYS 33 HA CYS 33 -1.961 -1.861 -1.861
219 1HB CYS 33 HB2 CYS 33 0.672 -2.481 -2.481
220 2HB CYS 33 HB1 CYS 33 0.458 -1.490 -1.490
221 H PHE 34 HN PHE 34 -1.948 0.383 0.383
222 HA PHE 34 HA PHE 34 -1.729 1.230 1.230
223 1HB PHE 34 HB2 PHE 34 -3.959 1.501 1.501
224 2HB PHE 34 HB1 PHE 34 -3.159 2.691 2.691
225 HD1 PHE 34 HD2 PHE 34 -1.898 4.622 4.622
226 HD2 PHE 34 HD1 PHE 34 -4.837 2.146 2.146
227 HE1 PHE 34 HE2 PHE 34 -2.210 6.350 6.350
228 HE2 PHE 34 HE1 PHE 34 -5.148 3.873 3.873
229 HZ PHE 34 HZ PHE 34 -3.834 5.975 5.975
230 H ASP 35 HN ASP 35 -0.390 3.023 3.023
231 HA ASP 35 HA ASP 35 0.788 4.616 4.616
232 1HB ASP 35 HB2 ASP 35 2.086 2.395 2.395
233 2HB ASP 35 HB1 ASP 35 2.688 2.918 2.918
234 H ASP 36 HN ASP 36 0.733 6.610 6.610
235 HA ASP 36 HA ASP 36 1.231 6.770 6.770
236 1HB ASP 36 HB2 ASP 36 0.183 9.060 9.060
237 2HB ASP 36 HB1 ASP 36 -0.903 7.719 7.719
238 H THR 37 HN THR 37 3.598 6.418 6.418
239 HA THR 37 HA THR 37 4.755 8.886 8.886
240 HB THR 37 HB THR 37 6.909 7.424 7.424
241 HG1 THR 37 HG1 THR 37 5.067 5.328 5.328
242 1HG2 THR 37 HG22 THR 37 4.692 6.776 6.776
243 2HG2 THR 37 HG21 THR 37 6.349 6.197 6.197
244 3HG2 THR 37 HG23 THR 37 6.008 7.926 7.926
245 H VAL 38 HN VAL 38 5.407 6.772 6.772
246 HA VAL 38 HA VAL 38 6.249 9.234 9.234
247 HB VAL 38 HB VAL 38 7.240 6.404 6.404
248 1HG1 VAL 38 HG13 VAL 38 7.895 9.105 9.105
249 2HG1 VAL 38 HG12 VAL 38 9.048 7.770 7.770
250 3HG1 VAL 38 HG11 VAL 38 7.474 7.612 7.612
251 1HG2 VAL 38 HG23 VAL 38 8.313 8.718 8.718
252 2HG2 VAL 38 HG22 VAL 38 8.179 7.020 7.020
253 3HG2 VAL 38 HG21 VAL 38 9.408 7.524 7.524
254 H ARG 39 HN ARG 39 5.514 9.463 9.463
255 HA ARG 39 HA ARG 39 3.099 7.948 7.948
256 1HB ARG 39 HB2 ARG 39 2.976 9.495 9.495
257 2HB ARG 39 HB1 ARG 39 3.087 10.344 10.344
258 1HG ARG 39 HG2 ARG 39 5.329 10.949 10.949
259 2HG ARG 39 HG1 ARG 39 5.580 9.687 9.687
260 1HD ARG 39 HD2 ARG 39 3.478 11.648 11.648
261 2HD ARG 39 HD1 ARG 39 5.111 12.308 12.308
262 HE ARG 39 HE ARG 39 5.629 10.238 10.238
263 1HH1 ARG 39 HH21 ARG 39 2.738 12.189 12.189
264 2HH1 ARG 39 HH22 ARG 39 2.387 11.910 11.910
265 1HH2 ARG 39 HH11 ARG 39 5.151 9.887 9.887
266 2HH2 ARG 39 HH12 ARG 39 3.748 10.613 10.613
267 H GLY 40 HN GLY 40 3.024 7.574 7.574
268 1HA GLY 40 HA2 GLY 40 3.930 6.413 6.413
269 2HA GLY 40 HA1 GLY 40 5.496 6.422 6.422
270 H VAL 41 HN VAL 41 4.773 5.241 5.241
271 HA VAL 41 HA VAL 41 4.414 2.462 2.462
272 HB VAL 41 HB VAL 41 5.073 1.952 1.952
273 1HG1 VAL 41 HG12 VAL 41 6.808 3.785 3.785
274 2HG1 VAL 41 HG11 VAL 41 7.403 2.986 2.986
275 3HG1 VAL 41 HG13 VAL 41 6.857 2.024 2.024
276 1HG2 VAL 41 HG22 VAL 41 4.108 4.108 4.108
277 2HG2 VAL 41 HG21 VAL 41 5.735 3.739 3.739
278 3HG2 VAL 41 HG23 VAL 41 5.497 4.946 4.946
279 HA PRO 42 HA PRO 42 0.323 2.159 2.159
280 1HB PRO 42 HB2 PRO 42 0.400 -0.476 -0.476
281 2HB PRO 42 HB1 PRO 42 0.112 0.030 0.030
282 1HG PRO 42 HG2 PRO 42 2.363 -1.372 -1.372
283 2HG PRO 42 HG1 PRO 42 2.087 -0.833 -0.833
284 1HD PRO 42 HD2 PRO 42 3.752 0.394 0.394
285 2HD PRO 42 HD1 PRO 42 3.829 0.596 0.596
286 H TRP 43 HN TRP 43 -0.349 3.112 3.112
287 HA TRP 43 HA TRP 43 1.170 2.882 2.882
288 1HB TRP 43 HB2 TRP 43 -1.651 3.941 3.941
289 2HB TRP 43 HB1 TRP 43 -0.535 4.306 4.306
290 HD1 TRP 43 HD1 TRP 43 2.081 4.872 4.872
291 HE1 TRP 43 HE1 TRP 43 2.248 6.995 6.995
292 HE3 TRP 43 HE3 TRP 43 -2.881 5.938 5.938
293 HZ2 TRP 43 HZ2 TRP 43 0.510 8.894 8.894
294 HZ3 TRP 43 HZ3 TRP 43 -3.596 7.908 7.908
295 HH2 TRP 43 HH2 TRP 43 -1.907 9.387 9.387
296 H CYS 44 HN CYS 44 -1.637 1.266 1.266
297 HA CYS 44 HA CYS 44 -2.261 -0.075 -0.075
298 1HB CYS 44 HB2 CYS 44 -3.987 0.726 0.726
299 2HB CYS 44 HB1 CYS 44 -3.446 -0.614 -0.614
300 H PHE 45 HN PHE 45 -0.551 -1.537 -1.537
301 HA PHE 45 HA PHE 45 -0.125 -3.614 -3.614
302 1HB PHE 45 HB2 PHE 45 2.238 -3.717 -3.717
303 2HB PHE 45 HB1 PHE 45 1.827 -2.065 -2.065
304 HD1 PHE 45 HD1 PHE 45 0.959 -0.590 -0.590
305 HD2 PHE 45 HD2 PHE 45 3.539 -4.015 -4.015
306 HE1 PHE 45 HE1 PHE 45 1.804 0.196 0.196
307 HE2 PHE 45 HE2 PHE 45 4.386 -3.229 -3.229
308 HZ PHE 45 HZ PHE 45 3.518 -1.123 -1.123
309 H TYR 46 HN TYR 46 1.009 -5.629 -5.629
310 HA TYR 46 HA TYR 46 -0.755 -6.439 -6.439
311 1HB TYR 46 HB2 TYR 46 1.388 -7.745 -7.745
312 2HB TYR 46 HB1 TYR 46 0.882 -8.509 -8.509
313 HD1 TYR 46 HD1 TYR 46 -1.624 -8.956 -8.956
314 HD2 TYR 46 HD2 TYR 46 0.082 -7.947 -7.947
315 HE1 TYR 46 HE1 TYR 46 -3.627 -9.871 -9.871
316 HE2 TYR 46 HE2 TYR 46 -1.921 -8.861 -8.861
317 HH TYR 46 HH TYR 46 -4.157 -9.434 -9.434
318 HA PRO 47 HA PRO 47 2.141 -5.838 -5.838
319 1HB PRO 47 HB2 PRO 47 1.353 -7.938 -7.938
320 2HB PRO 47 HB1 PRO 47 0.485 -6.404 -6.404
321 1HG PRO 47 HG2 PRO 47 -0.360 -9.006 -9.006
322 2HG PRO 47 HG1 PRO 47 -1.222 -7.469 -7.469
323 1HD PRO 47 HD2 PRO 47 0.351 -8.955 -8.955
324 2HD PRO 47 HD1 PRO 47 -0.910 -7.728 -7.728
325 H ASN 48 HN ASN 48 3.621 -7.294 -7.294
326 HA ASN 48 HA ASN 48 4.819 -9.550 -9.550
327 1HB ASN 48 HB2 ASN 48 6.061 -6.898 -6.898
328 2HB ASN 48 HB1 ASN 48 7.073 -8.291 -8.291
329 1HD2 ASN 48 HD22 ASN 48 7.887 -8.632 -8.632
330 2HD2 ASN 48 HD21 ASN 48 8.416 -8.601 -8.601
331 H THR 49 HN THR 49 4.575 -11.141 -11.141
332 HA THR 49 HA THR 49 4.665 -10.529 -10.529
333 HB THR 49 HB THR 49 4.719 -13.155 -13.155
334 HG1 THR 49 HG1 THR 49 4.119 -14.090 -14.090
335 1HG2 THR 49 HG23 THR 49 2.491 -11.363 -11.363
336 2HG2 THR 49 HG22 THR 49 2.219 -13.093 -13.093
337 3HG2 THR 49 HG21 THR 49 2.721 -12.106 -12.106
338 H ILE 50 HN ILE 50 6.672 -9.884 -9.884
339 HA ILE 50 HA ILE 50 8.925 -11.740 -11.740
340 HB ILE 50 HB ILE 50 9.118 -8.732 -8.732
341 1HG1 ILE 50 HG12 ILE 50 9.509 -10.375 -10.375
342 2HG1 ILE 50 HG11 ILE 50 8.023 -9.500 -9.500
343 1HG2 ILE 50 HG23 ILE 50 11.092 -10.042 -10.042
344 2HG2 ILE 50 HG22 ILE 50 11.166 -10.811 -10.811
345 3HG2 ILE 50 HG21 ILE 50 11.451 -9.077 -9.077
346 1HD1 ILE 50 HD13 ILE 50 9.368 -7.398 -7.398
347 2HD1 ILE 50 HD12 ILE 50 10.789 -8.302 -8.302
348 3HD1 ILE 50 HD11 ILE 50 9.423 -8.102 -8.102
349 H ASP 51 HN ASP 51 10.380 -12.051 -12.051
350 HA ASP 51 HA ASP 51 9.094 -11.724 -11.724
351 1HB ASP 51 HB2 ASP 51 10.453 -13.751 -13.751
352 2HB ASP 51 HB1 ASP 51 11.889 -12.740 -12.740
353 H VAL 52 HN VAL 52 10.696 -10.961 -10.961
354 HA VAL 52 HA VAL 52 12.302 -8.659 -8.659
355 HB VAL 52 HB VAL 52 11.250 -7.253 -7.253
356 1HG1 VAL 52 HG12 VAL 52 10.530 -7.294 -7.294
357 2HG1 VAL 52 HG11 VAL 52 9.171 -8.292 -8.292
358 3HG1 VAL 52 HG13 VAL 52 9.349 -6.652 -6.652
359 1HG2 VAL 52 HG22 VAL 52 9.694 -9.779 -9.779
360 2HG2 VAL 52 HG21 VAL 52 10.205 -8.596 -8.596
361 3HG2 VAL 52 HG23 VAL 52 8.817 -8.260 -8.260
362 HA PRO 53 HA PRO 53 14.547 -10.832 -10.832
363 1HB PRO 53 HB2 PRO 53 16.885 -11.078 -11.078
364 2HB PRO 53 HB1 PRO 53 15.590 -12.284 -12.284
365 1HG PRO 53 HG2 PRO 53 16.426 -10.668 -10.668
366 2HG PRO 53 HG1 PRO 53 15.130 -11.873 -11.873
367 1HD PRO 53 HD2 PRO 53 14.949 -8.927 -8.927
368 2HD PRO 53 HD1 PRO 53 13.709 -10.102 -10.102
369 HA PRO 54 HA PRO 54 17.021 -7.268 -7.268
370 1HB PRO 54 HB2 PRO 54 18.422 -8.467 -8.467
371 2HB PRO 54 HB1 PRO 54 16.730 -7.957 -7.957
372 1HG PRO 54 HG2 PRO 54 17.785 -10.621 -10.621
373 2HG PRO 54 HG1 PRO 54 16.098 -10.102 -10.102
374 1HD PRO 54 HD2 PRO 54 17.531 -11.127 -11.127
375 2HD PRO 54 HD1 PRO 54 15.789 -11.086 -11.086
376 H GLU 55 HN GLU 55 18.601 -10.240 -10.240
377 HA GLU 55 HA GLU 55 21.227 -8.898 -8.898
378 1HB GLU 55 HB2 GLU 55 20.278 -11.727 -11.727
379 2HB GLU 55 HB1 GLU 55 21.763 -11.363 -11.363
380 1HG GLU 55 HG2 GLU 55 22.553 -11.840 -11.840
381 2HG GLU 55 HG1 GLU 55 22.445 -10.079 -10.079
382 H GLU 56 HN GLU 56 22.399 -8.738 -8.738
383 HA GLU 56 HA GLU 56 20.645 -8.923 -8.923
384 1HB GLU 56 HB2 GLU 56 22.174 -7.194 -7.194
385 2HB GLU 56 HB1 GLU 56 21.315 -6.629 -6.629
386 1HG GLU 56 HG2 GLU 56 23.920 -7.948 -7.948
387 2HG GLU 56 HG1 GLU 56 24.007 -6.399 -6.399
388 H GLU 57 HN GLU 57 21.550 -9.843 -9.843
389 HA GLU 57 HA GLU 57 23.739 -11.718 -11.718
390 1HB GLU 57 HB2 GLU 57 21.504 -12.220 -12.220
391 2HB GLU 57 HB1 GLU 57 22.299 -11.445 -11.445
392 1HG GLU 57 HG2 GLU 57 24.128 -13.029 -13.029
393 2HG GLU 57 HG1 GLU 57 23.511 -13.728 -13.728
394 H SER 58 HN SER 58 25.472 -11.946 -11.946
395 HA SER 58 HA SER 58 26.673 -9.368 -9.368
396 1HB SER 58 HB2 SER 58 27.417 -12.214 -12.214
397 2HB SER 58 HB1 SER 58 28.339 -10.866 -10.866
398 HG SER 58 HG SER 58 27.819 -11.419 -11.419
399 H GLU 59 HN GLU 59 25.880 -8.071 -8.071
400 HA GLU 59 HA GLU 59 25.155 -9.395 -9.395
401 1HB GLU 59 HB2 GLU 59 24.070 -6.818 -6.818
402 2HB GLU 59 HB1 GLU 59 23.595 -7.526 -7.526
403 1HG GLU 59 HG2 GLU 59 22.848 -9.575 -9.575
404 2HG GLU 59 HG1 GLU 59 23.217 -8.766 -8.766
405 H PHE 60 HN PHE 60 25.466 -7.875 -7.875
406 HA PHE 60 HA PHE 60 27.888 -6.210 -6.210
407 1HB PHE 60 HB2 PHE 60 27.161 -8.176 -8.176
408 2HB PHE 60 HB1 PHE 60 28.184 -6.799 -6.799
409 HD1 PHE 60 HD2 PHE 60 30.011 -6.316 -6.316
410 HD2 PHE 60 HD1 PHE 60 28.324 -10.117 -10.117
411 HE1 PHE 60 HE2 PHE 60 31.965 -7.467 -7.467
412 HE2 PHE 60 HE1 PHE 60 30.279 -11.268 -11.268
413 HZ PHE 60 HZ PHE 60 32.100 -9.944 -9.944
Start of MODEL 11
1 1H GLU 1 HT2 GLU 1 8.997 -18.474 -18.474
2 2H GLU 1 HT1 GLU 1 10.110 -19.572 -19.572
3 3H GLU 1 HT3 GLU 1 10.112 -17.957 -17.957
4 HA GLU 1 HA GLU 1 9.043 -19.014 -19.014
5 1HB GLU 1 HB2 GLU 1 7.817 -20.652 -20.652
6 2HB GLU 1 HB1 GLU 1 7.135 -20.645 -20.645
7 1HG GLU 1 HG2 GLU 1 10.054 -21.230 -21.230
8 2HG GLU 1 HG1 GLU 1 8.825 -22.494 -22.494
9 H ALA 2 HN ALA 2 8.522 -16.654 -16.654
10 HA ALA 2 HA ALA 2 5.626 -16.334 -16.334
11 1HB ALA 2 HB3 ALA 2 6.500 -16.264 -16.264
12 2HB ALA 2 HB2 ALA 2 7.144 -14.682 -14.682
13 3HB ALA 2 HB1 ALA 2 5.409 -14.986 -14.986
14 H GLN 3 HN GLN 3 5.415 -15.121 -15.121
15 HA GLN 3 HA GLN 3 7.481 -13.151 -13.151
16 1HB GLN 3 HB2 GLN 3 4.961 -13.935 -13.935
17 2HB GLN 3 HB1 GLN 3 6.283 -12.952 -12.952
18 1HG GLN 3 HG2 GLN 3 7.828 -14.819 -14.819
19 2HG GLN 3 HG1 GLN 3 6.598 -15.805 -15.805
20 1HE2 GLN 3 HE22 GLN 3 4.629 -15.902 -15.902
21 2HE2 GLN 3 HE21 GLN 3 4.343 -15.405 -15.405
22 H THR 4 HN THR 4 6.869 -10.895 -10.895
23 HA THR 4 HA THR 4 4.563 -10.007 -10.007
24 HB THR 4 HB THR 4 5.769 -7.917 -7.917
25 HG1 THR 4 HG1 THR 4 7.130 -7.399 -7.399
26 1HG2 THR 4 HG21 THR 4 6.309 -9.938 -9.938
27 2HG2 THR 4 HG23 THR 4 7.722 -10.194 -10.194
28 3HG2 THR 4 HG22 THR 4 7.582 -8.719 -8.719
29 H GLU 5 HN GLU 5 3.860 -7.653 -7.653
30 HA GLU 5 HA GLU 5 3.082 -8.072 -8.072
31 1HB GLU 5 HB2 GLU 5 2.394 -5.920 -5.920
32 2HB GLU 5 HB1 GLU 5 1.733 -5.990 -5.990
33 1HG GLU 5 HG2 GLU 5 0.646 -8.082 -8.082
34 2HG GLU 5 HG1 GLU 5 1.511 -8.288 -8.288
35 H THR 6 HN THR 6 4.077 -7.081 -7.081
36 HA THR 6 HA THR 6 5.567 -4.593 -4.593
37 HB THR 6 HB THR 6 6.946 -6.868 -6.868
38 HG1 THR 6 HG1 THR 6 7.188 -7.785 -7.785
39 1HG2 THR 6 HG23 THR 6 7.704 -4.212 -4.212
40 2HG2 THR 6 HG22 THR 6 8.923 -5.462 -5.462
41 3HG2 THR 6 HG21 THR 6 8.020 -4.824 -4.824
42 H CYS 7 HN CYS 7 4.711 -3.288 -3.288
43 HA CYS 7 HA CYS 7 4.278 -4.484 -4.484
44 1HB CYS 7 HB2 CYS 7 2.622 -2.601 -2.601
45 2HB CYS 7 HB1 CYS 7 2.633 -2.392 -2.392
46 H THR 8 HN THR 8 6.806 -3.517 -3.517
47 HA THR 8 HA THR 8 6.892 -0.992 -0.992
48 HB THR 8 HB THR 8 7.393 -0.419 -0.419
49 HG1 THR 8 HG1 THR 8 9.500 0.326 0.326
50 1HG2 THR 8 HG22 THR 8 8.757 -3.017 -3.017
51 2HG2 THR 8 HG21 THR 8 9.718 -1.750 -1.750
52 3HG2 THR 8 HG23 THR 8 8.108 -2.124 -2.124
53 H VAL 9 HN VAL 9 7.250 -2.474 -2.474
54 HA VAL 9 HA VAL 9 9.883 -3.822 -3.822
55 HB VAL 9 HB VAL 9 7.672 -4.002 -4.002
56 1HG1 VAL 9 HG12 VAL 9 10.322 -5.363 -5.363
57 2HG1 VAL 9 HG11 VAL 9 9.015 -6.217 -6.217
58 3HG1 VAL 9 HG13 VAL 9 9.637 -4.706 -4.706
59 1HG2 VAL 9 HG21 VAL 9 7.123 -4.845 -4.845
60 2HG2 VAL 9 HG23 VAL 9 6.976 -6.028 -6.028
61 3HG2 VAL 9 HG22 VAL 9 8.390 -6.047 -6.047
62 H ALA 10 HN ALA 10 11.093 -3.646 -3.646
63 HA ALA 10 HA ALA 10 11.573 -0.866 -0.866
64 1HB ALA 10 HB2 ALA 10 13.291 -2.716 -2.716
65 2HB ALA 10 HB1 ALA 10 12.501 -3.224 -3.224
66 3HB ALA 10 HB3 ALA 10 13.250 -1.631 -1.631
67 HA PRO 11 HA PRO 11 8.395 0.313 0.313
68 1HB PRO 11 HB2 PRO 11 10.545 1.317 1.317
69 2HB PRO 11 HB1 PRO 11 9.224 2.198 2.198
70 1HG PRO 11 HG2 PRO 11 11.955 2.008 2.008
71 2HG PRO 11 HG1 PRO 11 10.636 2.906 2.906
72 1HD PRO 11 HD2 PRO 11 11.903 0.696 0.696
73 2HD PRO 11 HD1 PRO 11 10.300 1.292 1.292
74 H ARG 12 HN ARG 12 11.311 -1.429 -1.429
75 HA ARG 12 HA ARG 12 10.072 -2.199 -2.199
76 1HB ARG 12 HB2 ARG 12 12.158 -3.547 -3.547
77 2HB ARG 12 HB1 ARG 12 12.478 -1.843 -1.843
78 1HG ARG 12 HG2 ARG 12 12.589 -2.546 -2.546
79 2HG ARG 12 HG1 ARG 12 12.750 -4.190 -4.190
80 1HD ARG 12 HD2 ARG 12 14.982 -3.389 -3.389
81 2HD ARG 12 HD1 ARG 12 14.651 -3.302 -3.302
82 HE ARG 12 HE ARG 12 13.914 -0.828 -0.828
83 1HH1 ARG 12 HH11 ARG 12 16.785 -2.806 -2.806
84 2HH1 ARG 12 HH12 ARG 12 17.871 -1.457 -1.457
85 1HH2 ARG 12 HH21 ARG 12 15.355 0.925 0.925
86 2HH2 ARG 12 HH22 ARG 12 17.064 0.645 0.645
87 H GLU 13 HN GLU 13 10.972 -3.817 -3.817
88 HA GLU 13 HA GLU 13 9.849 -6.340 -6.340
89 1HB GLU 13 HB2 GLU 13 11.110 -5.275 -5.275
90 2HB GLU 13 HB1 GLU 13 10.129 -6.738 -6.738
91 1HG GLU 13 HG2 GLU 13 11.580 -7.978 -7.978
92 2HG GLU 13 HG1 GLU 13 12.145 -6.567 -6.567
93 H ARG 14 HN ARG 14 7.955 -4.185 -4.185
94 HA ARG 14 HA ARG 14 6.076 -4.827 -4.827
95 1HB ARG 14 HB2 ARG 14 6.292 -2.427 -2.427
96 2HB ARG 14 HB1 ARG 14 4.881 -2.734 -2.734
97 1HG ARG 14 HG2 ARG 14 6.664 -2.986 -2.986
98 2HG ARG 14 HG1 ARG 14 7.687 -2.054 -2.054
99 1HD ARG 14 HD2 ARG 14 5.795 -0.371 -0.371
100 2HD ARG 14 HD1 ARG 14 5.006 -1.244 -1.244
101 HE ARG 14 HE ARG 14 7.606 -0.702 -0.702
102 1HH1 ARG 14 HH11 ARG 14 4.772 1.066 1.066
103 2HH1 ARG 14 HH12 ARG 14 5.119 2.441 2.441
104 1HH2 ARG 14 HH21 ARG 14 8.039 1.109 1.109
105 2HH2 ARG 14 HH22 ARG 14 6.960 2.464 2.464
106 H GLN 15 HN GLN 15 4.444 -6.203 -6.203
107 HA GLN 15 HA GLN 15 3.887 -6.667 -6.667
108 1HB GLN 15 HB2 GLN 15 2.284 -8.425 -8.425
109 2HB GLN 15 HB1 GLN 15 4.013 -8.707 -8.707
110 1HG GLN 15 HG2 GLN 15 2.554 -7.180 -7.180
111 2HG GLN 15 HG1 GLN 15 2.394 -8.937 -8.937
112 1HE2 GLN 15 HE22 GLN 15 5.667 -7.434 -7.434
113 2HE2 GLN 15 HE21 GLN 15 4.215 -6.581 -6.581
114 H ASN 16 HN ASN 16 2.220 -5.670 -5.670
115 HA ASN 16 HA ASN 16 0.591 -3.756 -3.756
116 1HB ASN 16 HB2 ASN 16 1.206 -3.782 -3.782
117 2HB ASN 16 HB1 ASN 16 0.057 -5.102 -5.102
118 1HD2 ASN 16 HD22 ASN 16 -1.345 -1.389 -1.389
119 2HD2 ASN 16 HD21 ASN 16 0.280 -1.809 -1.809
120 H CYS 17 HN CYS 17 -1.289 -4.002 -4.002
121 HA CYS 17 HA CYS 17 -2.606 -6.645 -6.645
122 1HB CYS 17 HB2 CYS 17 -1.900 -5.172 -5.172
123 2HB CYS 17 HB1 CYS 17 -3.472 -4.441 -4.441
124 H GLY 18 HN GLY 18 -2.997 -3.276 -3.276
125 1HA GLY 18 HA2 GLY 18 -5.301 -3.872 -3.872
126 2HA GLY 18 HA1 GLY 18 -5.708 -2.899 -2.899
127 H PHE 19 HN PHE 19 -6.108 -1.661 -1.661
128 HA PHE 19 HA PHE 19 -3.844 -0.320 -0.320
129 1HB PHE 19 HB2 PHE 19 -5.590 1.360 1.360
130 2HB PHE 19 HB1 PHE 19 -5.797 -0.310 -0.310
131 HD1 PHE 19 HD2 PHE 19 -7.460 -1.785 -1.785
132 HD2 PHE 19 HD1 PHE 19 -7.263 2.468 2.468
133 HE1 PHE 19 HE2 PHE 19 -9.745 -1.811 -1.811
134 HE2 PHE 19 HE1 PHE 19 -9.556 2.438 2.438
135 HZ PHE 19 HZ PHE 19 -10.793 0.300 0.300
136 HA PRO 20 HA PRO 20 -3.112 2.901 2.901
137 1HB PRO 20 HB2 PRO 20 -2.466 5.011 5.011
138 2HB PRO 20 HB1 PRO 20 -1.370 3.725 3.725
139 1HG PRO 20 HG2 PRO 20 -2.429 4.201 4.201
140 2HG PRO 20 HG1 PRO 20 -1.307 2.935 2.935
141 1HD PRO 20 HD2 PRO 20 -4.179 2.749 2.749
142 2HD PRO 20 HD1 PRO 20 -2.982 1.450 1.450
143 H GLY 21 HN GLY 21 -5.379 3.772 3.772
144 1HA GLY 21 HA2 GLY 21 -6.343 6.199 6.199
145 2HA GLY 21 HA1 GLY 21 -7.271 5.107 5.107
146 H VAL 22 HN VAL 22 -6.498 3.059 3.059
147 HA VAL 22 HA VAL 22 -9.053 3.042 3.042
148 HB VAL 22 HB VAL 22 -7.974 1.550 1.550
149 1HG1 VAL 22 HG13 VAL 22 -8.771 0.749 0.749
150 2HG1 VAL 22 HG12 VAL 22 -7.112 0.912 0.912
151 3HG1 VAL 22 HG11 VAL 22 -7.491 -0.235 -0.235
152 1HG2 VAL 22 HG21 VAL 22 -5.505 2.461 2.461
153 2HG2 VAL 22 HG23 VAL 22 -5.798 2.474 2.474
154 3HG2 VAL 22 HG22 VAL 22 -5.539 0.945 0.945
155 H THR 23 HN THR 23 -9.354 3.288 3.288
156 HA THR 23 HA THR 23 -7.829 5.634 5.634
157 HB THR 23 HB THR 23 -9.983 6.406 6.406
158 HG1 THR 23 HG1 THR 23 -10.864 4.161 4.161
159 1HG2 THR 23 HG23 THR 23 -9.078 7.222 7.222
160 2HG2 THR 23 HG22 THR 23 -10.212 6.112 6.112
161 3HG2 THR 23 HG21 THR 23 -10.812 7.432 7.432
162 HA PRO 24 HA PRO 24 -6.854 3.793 3.793
163 1HB PRO 24 HB2 PRO 24 -8.770 5.471 5.471
164 2HB PRO 24 HB1 PRO 24 -7.003 5.445 5.445
165 1HG PRO 24 HG2 PRO 24 -8.703 7.277 7.277
166 2HG PRO 24 HG1 PRO 24 -6.947 7.329 7.329
167 1HD PRO 24 HD2 PRO 24 -8.189 6.857 6.857
168 2HD PRO 24 HD1 PRO 24 -6.541 6.323 6.323
169 H SER 25 HN SER 25 -10.316 4.340 4.340
170 HA SER 25 HA SER 25 -11.198 2.328 2.328
171 1HB SER 25 HB2 SER 25 -13.415 2.693 2.693
172 2HB SER 25 HB1 SER 25 -12.690 4.162 4.162
173 HG SER 25 HG SER 25 -12.738 4.899 4.899
174 H GLN 26 HN GLN 26 -10.899 2.532 2.532
175 HA GLN 26 HA GLN 26 -11.898 -0.063 -0.063
176 1HB GLN 26 HB2 GLN 26 -10.213 1.926 1.926
177 2HB GLN 26 HB1 GLN 26 -10.256 0.272 0.272
178 1HG GLN 26 HG2 GLN 26 -12.570 0.349 0.349
179 2HG GLN 26 HG1 GLN 26 -12.809 1.712 1.712
180 1HE2 GLN 26 HE22 GLN 26 -12.100 2.444 2.444
181 2HE2 GLN 26 HE21 GLN 26 -12.462 0.898 0.898
182 H CYS 27 HN CYS 27 -8.488 1.086 1.086
183 HA CYS 27 HA CYS 27 -7.314 -1.476 -1.476
184 1HB CYS 27 HB2 CYS 27 -6.183 0.831 0.831
185 2HB CYS 27 HB1 CYS 27 -6.174 0.769 0.769
186 H ALA 28 HN ALA 28 -8.648 0.252 0.252
187 HA ALA 28 HA ALA 28 -7.684 -1.780 -1.780
188 1HB ALA 28 HB1 ALA 28 -7.886 0.598 0.598
189 2HB ALA 28 HB3 ALA 28 -9.628 0.507 0.507
190 3HB ALA 28 HB2 ALA 28 -8.876 -0.458 -0.458
191 H ASN 29 HN ASN 29 -10.182 -1.673 -1.673
192 HA ASN 29 HA ASN 29 -12.258 -2.881 -2.881
193 1HB ASN 29 HB2 ASN 29 -12.610 -1.490 -1.490
194 2HB ASN 29 HB1 ASN 29 -12.057 -2.899 -2.899
195 1HD2 ASN 29 HD22 ASN 29 -15.606 -3.216 -3.216
196 2HD2 ASN 29 HD21 ASN 29 -14.406 -2.164 -2.164
197 H LYS 30 HN LYS 30 -9.953 -4.055 -4.055
198 HA LYS 30 HA LYS 30 -10.818 -6.795 -6.795
199 1HB LYS 30 HB2 LYS 30 -9.535 -5.453 -5.453
200 2HB LYS 30 HB1 LYS 30 -8.193 -6.316 -6.316
201 1HG LYS 30 HG2 LYS 30 -10.036 -8.298 -8.298
202 2HG LYS 30 HG1 LYS 30 -10.547 -7.383 -7.383
203 1HD LYS 30 HD2 LYS 30 -8.450 -7.641 -7.641
204 2HD LYS 30 HD1 LYS 30 -7.653 -8.122 -8.122
205 1HE LYS 30 HE2 LYS 30 -9.387 -10.101 -10.101
206 2HE LYS 30 HE1 LYS 30 -9.481 -9.720 -9.720
207 1HZ LYS 30 HZ1 LYS 30 -6.918 -10.092 -10.092
208 2HZ LYS 30 HZ3 LYS 30 -7.779 -11.395 -11.395
209 3HZ LYS 30 HZ2 LYS 30 -7.244 -10.139 -10.139
210 H GLY 31 HN GLY 31 -7.857 -4.916 -4.916
211 1HA GLY 31 HA2 GLY 31 -7.176 -5.455 -5.455
212 2HA GLY 31 HA1 GLY 31 -7.146 -7.124 -7.124
213 H CYS 32 HN CYS 32 -6.143 -4.642 -4.642
214 HA CYS 32 HA CYS 32 -3.416 -5.737 -5.737
215 1HB CYS 32 HB2 CYS 32 -4.555 -3.679 -3.679
216 2HB CYS 32 HB1 CYS 32 -3.058 -4.585 -4.585
217 H CYS 33 HN CYS 33 -1.626 -4.522 -4.522
218 HA CYS 33 HA CYS 33 -2.114 -2.314 -2.314
219 1HB CYS 33 HB2 CYS 33 0.298 -3.693 -3.693
220 2HB CYS 33 HB1 CYS 33 0.519 -2.073 -2.073
221 H PHE 34 HN PHE 34 -2.337 -0.173 -0.173
222 HA PHE 34 HA PHE 34 -1.848 0.680 0.680
223 1HB PHE 34 HB2 PHE 34 -4.065 1.135 1.135
224 2HB PHE 34 HB1 PHE 34 -3.220 2.180 2.180
225 HD1 PHE 34 HD1 PHE 34 -4.049 1.692 1.692
226 HD2 PHE 34 HD2 PHE 34 -2.485 4.372 4.372
227 HE1 PHE 34 HE1 PHE 34 -4.133 3.554 3.554
228 HE2 PHE 34 HE2 PHE 34 -2.570 6.234 6.234
229 HZ PHE 34 HZ PHE 34 -3.393 5.824 5.824
230 H ASP 35 HN ASP 35 -0.382 2.369 2.369
231 HA ASP 35 HA ASP 35 0.978 3.735 3.735
232 1HB ASP 35 HB2 ASP 35 2.203 1.566 1.566
233 2HB ASP 35 HB1 ASP 35 2.543 2.066 2.066
234 H ASP 36 HN ASP 36 0.512 5.787 5.787
235 HA ASP 36 HA ASP 36 1.179 6.327 6.327
236 1HB ASP 36 HB2 ASP 36 -0.250 8.365 8.365
237 2HB ASP 36 HB1 ASP 36 -1.134 6.855 6.855
238 H THR 37 HN THR 37 3.493 6.506 6.506
239 HA THR 37 HA THR 37 4.093 9.020 9.020
240 HB THR 37 HB THR 37 6.308 7.982 7.982
241 HG1 THR 37 HG1 THR 37 6.327 5.647 5.647
242 1HG2 THR 37 HG21 THR 37 4.043 7.713 7.713
243 2HG2 THR 37 HG23 THR 37 4.279 6.015 6.015
244 3HG2 THR 37 HG22 THR 37 5.519 6.883 6.883
245 H VAL 38 HN VAL 38 4.825 6.975 6.975
246 HA VAL 38 HA VAL 38 6.127 9.343 9.343
247 HB VAL 38 HB VAL 38 6.934 6.449 6.449
248 1HG1 VAL 38 HG13 VAL 38 7.832 9.100 9.100
249 2HG1 VAL 38 HG12 VAL 38 8.989 7.777 7.777
250 3HG1 VAL 38 HG11 VAL 38 7.547 7.583 7.583
251 1HG2 VAL 38 HG22 VAL 38 7.475 7.348 7.348
252 2HG2 VAL 38 HG21 VAL 38 8.907 6.968 6.968
253 3HG2 VAL 38 HG23 VAL 38 8.388 8.644 8.644
254 H ARG 39 HN ARG 39 5.742 9.589 9.589
255 HA ARG 39 HA ARG 39 3.252 8.332 8.332
256 1HB ARG 39 HB2 ARG 39 3.859 10.816 10.816
257 2HB ARG 39 HB1 ARG 39 4.946 10.281 10.281
258 1HG ARG 39 HG2 ARG 39 3.206 9.567 9.567
259 2HG ARG 39 HG1 ARG 39 2.107 9.319 9.319
260 1HD ARG 39 HD2 ARG 39 2.081 11.817 11.817
261 2HD ARG 39 HD1 ARG 39 2.993 11.969 11.969
262 HE ARG 39 HE ARG 39 0.476 10.462 10.462
263 1HH1 ARG 39 HH21 ARG 39 2.245 13.412 13.412
264 2HH1 ARG 39 HH22 ARG 39 1.092 14.036 14.036
265 1HH2 ARG 39 HH11 ARG 39 -1.021 11.299 11.299
266 2HH2 ARG 39 HH12 ARG 39 -0.748 12.845 12.845
267 H GLY 40 HN GLY 40 3.188 7.542 7.542
268 1HA GLY 40 HA2 GLY 40 4.140 6.354 6.354
269 2HA GLY 40 HA1 GLY 40 5.715 6.480 6.480
270 H VAL 41 HN VAL 41 5.374 5.361 5.361
271 HA VAL 41 HA VAL 41 5.151 2.558 2.558
272 HB VAL 41 HB VAL 41 5.599 2.266 2.266
273 1HG1 VAL 41 HG13 VAL 41 7.366 2.829 2.829
274 2HG1 VAL 41 HG12 VAL 41 7.439 4.407 4.407
275 3HG1 VAL 41 HG11 VAL 41 7.843 2.952 2.952
276 1HG2 VAL 41 HG21 VAL 41 5.112 5.233 5.233
277 2HG2 VAL 41 HG23 VAL 41 4.552 4.040 4.040
278 3HG2 VAL 41 HG22 VAL 41 6.236 4.565 4.565
279 HA PRO 42 HA PRO 42 0.945 1.916 1.916
280 1HB PRO 42 HB2 PRO 42 1.197 -0.683 -0.683
281 2HB PRO 42 HB1 PRO 42 1.053 -0.232 -0.232
282 1HG PRO 42 HG2 PRO 42 3.302 -1.376 -1.376
283 2HG PRO 42 HG1 PRO 42 3.168 -0.887 -0.887
284 1HD PRO 42 HD2 PRO 42 4.420 0.546 0.546
285 2HD PRO 42 HD1 PRO 42 4.713 0.712 0.712
286 H TRP 43 HN TRP 43 -0.219 2.504 2.504
287 HA TRP 43 HA TRP 43 1.163 2.503 2.503
288 1HB TRP 43 HB2 TRP 43 -1.645 3.462 3.462
289 2HB TRP 43 HB1 TRP 43 -0.643 3.895 3.895
290 HD1 TRP 43 HD1 TRP 43 2.065 4.519 4.519
291 HE1 TRP 43 HE1 TRP 43 2.249 6.630 6.630
292 HE3 TRP 43 HE3 TRP 43 -2.885 5.411 5.411
293 HZ2 TRP 43 HZ2 TRP 43 0.525 8.457 8.457
294 HZ3 TRP 43 HZ3 TRP 43 -3.586 7.342 7.342
295 HH2 TRP 43 HH2 TRP 43 -1.889 8.864 8.864
296 H CYS 44 HN CYS 44 -1.621 0.937 0.937
297 HA CYS 44 HA CYS 44 -2.288 -0.502 -0.502
298 1HB CYS 44 HB2 CYS 44 -3.961 0.417 0.417
299 2HB CYS 44 HB1 CYS 44 -3.475 -0.962 -0.962
300 H PHE 45 HN PHE 45 -0.714 -2.077 -2.077
301 HA PHE 45 HA PHE 45 -0.277 -4.071 -4.071
302 1HB PHE 45 HB2 PHE 45 2.091 -4.204 -4.204
303 2HB PHE 45 HB1 PHE 45 1.691 -2.537 -2.537
304 HD1 PHE 45 HD2 PHE 45 0.849 -1.130 -1.130
305 HD2 PHE 45 HD1 PHE 45 3.434 -4.554 -4.554
306 HE1 PHE 45 HE2 PHE 45 1.719 -0.415 -0.415
307 HE2 PHE 45 HE1 PHE 45 4.311 -3.838 -3.838
308 HZ PHE 45 HZ PHE 45 3.450 -1.770 -1.770
309 H TYR 46 HN TYR 46 0.860 -6.119 -6.119
310 HA TYR 46 HA TYR 46 -0.890 -6.987 -6.987
311 1HB TYR 46 HB2 TYR 46 1.369 -8.243 -8.243
312 2HB TYR 46 HB1 TYR 46 0.669 -9.057 -9.057
313 HD1 TYR 46 HD2 TYR 46 -1.790 -9.599 -9.599
314 HD2 TYR 46 HD1 TYR 46 0.223 -8.154 -8.154
315 HE1 TYR 46 HE2 TYR 46 -3.668 -10.400 -10.400
316 HE2 TYR 46 HE1 TYR 46 -1.655 -8.955 -8.955
317 HH TYR 46 HH TYR 46 -3.462 -10.750 -10.750
318 HA PRO 47 HA PRO 47 1.959 -6.375 -6.375
319 1HB PRO 47 HB2 PRO 47 1.167 -8.492 -8.492
320 2HB PRO 47 HB1 PRO 47 0.291 -6.963 -6.963
321 1HG PRO 47 HG2 PRO 47 -0.533 -9.563 -9.563
322 2HG PRO 47 HG1 PRO 47 -1.394 -8.027 -8.027
323 1HD PRO 47 HD2 PRO 47 0.245 -9.510 -9.510
324 2HD PRO 47 HD1 PRO 47 -1.037 -8.309 -8.309
325 H ASN 48 HN ASN 48 3.781 -7.353 -7.353
326 HA ASN 48 HA ASN 48 4.824 -9.864 -9.864
327 1HB ASN 48 HB2 ASN 48 6.124 -7.163 -7.163
328 2HB ASN 48 HB1 ASN 48 7.130 -8.600 -8.600
329 1HD2 ASN 48 HD22 ASN 48 7.216 -8.773 -8.773
330 2HD2 ASN 48 HD21 ASN 48 8.104 -8.621 -8.621
331 H THR 49 HN THR 49 4.777 -11.187 -11.187
332 HA THR 49 HA THR 49 5.288 -10.110 -10.110
333 HB THR 49 HB THR 49 4.901 -12.411 -12.411
334 HG1 THR 49 HG1 THR 49 5.510 -13.887 -13.887
335 1HG2 THR 49 HG22 THR 49 2.989 -10.875 -10.875
336 2HG2 THR 49 HG21 THR 49 2.933 -11.828 -11.828
337 3HG2 THR 49 HG23 THR 49 2.621 -12.598 -12.598
338 H ILE 50 HN ILE 50 7.411 -9.575 -9.575
339 HA ILE 50 HA ILE 50 9.445 -11.646 -11.646
340 HB ILE 50 HB ILE 50 9.866 -8.644 -8.644
341 1HG1 ILE 50 HG12 ILE 50 9.818 -10.580 -10.580
342 2HG1 ILE 50 HG11 ILE 50 8.404 -9.643 -9.643
343 1HG2 ILE 50 HG22 ILE 50 11.614 -11.042 -11.042
344 2HG2 ILE 50 HG21 ILE 50 12.005 -9.413 -9.413
345 3HG2 ILE 50 HG23 ILE 50 11.909 -9.761 -9.761
346 1HD1 ILE 50 HD11 ILE 50 10.950 -8.138 -8.138
347 2HD1 ILE 50 HD13 ILE 50 10.188 -8.736 -8.736
348 3HD1 ILE 50 HD12 ILE 50 9.300 -7.658 -7.658
349 H ASP 51 HN ASP 51 11.247 -11.706 -11.706
350 HA ASP 51 HA ASP 51 10.360 -11.153 -11.153
351 1HB ASP 51 HB2 ASP 51 12.716 -12.486 -12.486
352 2HB ASP 51 HB1 ASP 51 12.866 -11.943 -11.943
353 H VAL 52 HN VAL 52 10.414 -9.022 -9.022
354 HA VAL 52 HA VAL 52 12.965 -7.576 -7.576
355 HB VAL 52 HB VAL 52 11.614 -5.483 -5.483
356 1HG1 VAL 52 HG12 VAL 52 11.183 -7.739 -7.739
357 2HG1 VAL 52 HG11 VAL 52 10.723 -6.070 -6.070
358 3HG1 VAL 52 HG13 VAL 52 12.415 -6.479 -6.479
359 1HG2 VAL 52 HG21 VAL 52 9.312 -7.458 -7.458
360 2HG2 VAL 52 HG23 VAL 52 9.574 -6.270 -6.270
361 3HG2 VAL 52 HG22 VAL 52 9.195 -5.736 -5.736
362 HA PRO 53 HA PRO 53 13.441 -6.854 -6.854
363 1HB PRO 53 HB2 PRO 53 13.396 -3.959 -3.959
364 2HB PRO 53 HB1 PRO 53 14.746 -5.015 -5.015
365 1HG PRO 53 HG2 PRO 53 14.095 -3.854 -3.854
366 2HG PRO 53 HG1 PRO 53 15.570 -4.689 -4.689
367 1HD PRO 53 HD2 PRO 53 13.788 -5.732 -5.732
368 2HD PRO 53 HD1 PRO 53 14.844 -6.726 -6.726
369 HA PRO 54 HA PRO 54 9.717 -3.379 -3.379
370 1HB PRO 54 HB2 PRO 54 8.226 -4.268 -4.268
371 2HB PRO 54 HB1 PRO 54 8.534 -2.628 -2.628
372 1HG PRO 54 HG2 PRO 54 9.887 -4.049 -4.049
373 2HG PRO 54 HG1 PRO 54 10.162 -2.395 -2.395
374 1HD PRO 54 HD2 PRO 54 11.965 -4.460 -4.460
375 2HD PRO 54 HD1 PRO 54 11.938 -3.005 -3.005
376 H GLU 55 HN GLU 55 8.256 -4.229 -4.229
377 HA GLU 55 HA GLU 55 7.766 -7.074 -7.074
378 1HB GLU 55 HB2 GLU 55 6.372 -6.527 -6.527
379 2HB GLU 55 HB1 GLU 55 8.001 -5.859 -5.859
380 1HG GLU 55 HG2 GLU 55 6.844 -3.951 -3.951
381 2HG GLU 55 HG1 GLU 55 6.761 -3.790 -3.790
382 H GLU 56 HN GLU 56 5.320 -7.751 -7.751
383 HA GLU 56 HA GLU 56 3.709 -6.472 -6.472
384 1HB GLU 56 HB2 GLU 56 2.598 -8.696 -8.696
385 2HB GLU 56 HB1 GLU 56 4.322 -8.763 -8.763
386 1HG GLU 56 HG2 GLU 56 4.289 -10.521 -10.521
387 2HG GLU 56 HG1 GLU 56 4.378 -9.244 -9.244
388 H GLU 57 HN GLU 57 1.312 -6.545 -6.545
389 HA GLU 57 HA GLU 57 0.753 -6.237 -6.237
390 1HB GLU 57 HB2 GLU 57 -0.723 -5.127 -5.127
391 2HB GLU 57 HB1 GLU 57 -1.143 -4.831 -4.831
392 1HG GLU 57 HG2 GLU 57 1.657 -4.249 -4.249
393 2HG GLU 57 HG1 GLU 57 0.385 -3.120 -3.120
394 H SER 58 HN SER 58 -0.352 -7.929 -7.929
395 HA SER 58 HA SER 58 -2.011 -9.593 -9.593
396 1HB SER 58 HB2 SER 58 -1.771 -11.345 -11.345
397 2HB SER 58 HB1 SER 58 -0.170 -10.639 -10.639
398 HG SER 58 HG SER 58 -2.041 -9.984 -9.984
399 H GLU 59 HN GLU 59 -4.228 -9.670 -9.670
400 HA GLU 59 HA GLU 59 -5.347 -7.905 -7.905
401 1HB GLU 59 HB2 GLU 59 -6.391 -9.130 -9.130
402 2HB GLU 59 HB1 GLU 59 -7.514 -8.528 -8.528
403 1HG GLU 59 HG2 GLU 59 -7.217 -6.598 -6.598
404 2HG GLU 59 HG1 GLU 59 -5.908 -6.407 -6.407
405 H PHE 60 HN PHE 60 -6.985 -8.671 -8.671
406 HA PHE 60 HA PHE 60 -6.844 -11.597 -11.597
407 1HB PHE 60 HB2 PHE 60 -7.212 -9.234 -9.234
408 2HB PHE 60 HB1 PHE 60 -7.794 -10.825 -10.825
409 HD1 PHE 60 HD1 PHE 60 -4.745 -9.282 -9.282
410 HD2 PHE 60 HD2 PHE 60 -6.322 -12.189 -12.189
411 HE1 PHE 60 HE1 PHE 60 -2.438 -9.931 -9.931
412 HE2 PHE 60 HE2 PHE 60 -4.015 -12.838 -12.838
413 HZ PHE 60 HZ PHE 60 -2.073 -11.710 -11.710
Start of MODEL 12
1 1H GLU 1 HT3 GLU 1 11.910 -6.210 -6.210
2 2H GLU 1 HT2 GLU 1 10.971 -6.786 -6.786
3 3H GLU 1 HT1 GLU 1 12.480 -7.489 -7.489
4 HA GLU 1 HA GLU 1 11.677 -8.808 -8.808
5 1HB GLU 1 HB2 GLU 1 9.150 -7.792 -7.792
6 2HB GLU 1 HB1 GLU 1 9.169 -9.153 -9.153
7 1HG GLU 1 HG2 GLU 1 10.474 -10.484 -10.484
8 2HG GLU 1 HG1 GLU 1 11.026 -9.093 -9.093
9 H ALA 2 HN ALA 2 10.266 -9.040 -9.040
10 HA ALA 2 HA ALA 2 9.445 -6.460 -6.460
11 1HB ALA 2 HB3 ALA 2 11.904 -7.040 -7.040
12 2HB ALA 2 HB2 ALA 2 11.230 -8.327 -8.327
13 3HB ALA 2 HB1 ALA 2 10.834 -6.645 -6.645
14 H GLN 3 HN GLN 3 7.689 -8.405 -8.405
15 HA GLN 3 HA GLN 3 6.975 -9.981 -9.981
16 1HB GLN 3 HB2 GLN 3 6.405 -10.183 -10.183
17 2HB GLN 3 HB1 GLN 3 5.186 -10.797 -10.797
18 1HG GLN 3 HG2 GLN 3 6.644 -12.638 -12.638
19 2HG GLN 3 HG1 GLN 3 7.059 -12.084 -12.084
20 1HE2 GLN 3 HE22 GLN 3 10.355 -11.199 -11.199
21 2HE2 GLN 3 HE21 GLN 3 9.200 -11.364 -11.364
22 H THR 4 HN THR 4 5.955 -8.446 -8.446
23 HA THR 4 HA THR 4 3.281 -7.666 -7.666
24 HB THR 4 HB THR 4 3.975 -5.204 -5.204
25 HG1 THR 4 HG1 THR 4 6.265 -6.077 -6.077
26 1HG2 THR 4 HG22 THR 4 3.081 -6.251 -6.251
27 2HG2 THR 4 HG21 THR 4 4.724 -5.909 -5.909
28 3HG2 THR 4 HG23 THR 4 3.701 -4.601 -4.601
29 H GLU 5 HN GLU 5 2.464 -6.049 -6.049
30 HA GLU 5 HA GLU 5 2.974 -7.623 -7.623
31 1HB GLU 5 HB2 GLU 5 1.042 -5.337 -5.337
32 2HB GLU 5 HB1 GLU 5 1.069 -6.388 -6.388
33 1HG GLU 5 HG2 GLU 5 0.826 -8.333 -8.333
34 2HG GLU 5 HG1 GLU 5 0.320 -7.077 -7.077
35 H THR 6 HN THR 6 4.125 -6.870 -6.870
36 HA THR 6 HA THR 6 4.980 -4.028 -4.028
37 HB THR 6 HB THR 6 6.679 -6.375 -6.375
38 HG1 THR 6 HG1 THR 6 7.844 -5.782 -5.782
39 1HG2 THR 6 HG23 THR 6 7.152 -3.409 -3.409
40 2HG2 THR 6 HG22 THR 6 8.475 -4.571 -4.571
41 3HG2 THR 6 HG21 THR 6 7.361 -4.391 -4.391
42 H CYS 7 HN CYS 7 4.650 -2.952 -2.952
43 HA CYS 7 HA CYS 7 4.046 -4.636 -4.636
44 1HB CYS 7 HB2 CYS 7 2.579 -2.302 -2.302
45 2HB CYS 7 HB1 CYS 7 2.578 -2.507 -2.507
46 H THR 8 HN THR 8 6.117 -2.313 -2.313
47 HA THR 8 HA THR 8 6.562 -0.666 -0.666
48 HB THR 8 HB THR 8 7.274 0.113 0.113
49 HG1 THR 8 HG1 THR 8 9.261 -0.486 -0.486
50 1HG2 THR 8 HG22 THR 8 7.687 -2.200 -2.200
51 2HG2 THR 8 HG21 THR 8 9.217 -2.211 -2.211
52 3HG2 THR 8 HG23 THR 8 8.943 -1.030 -1.030
53 H VAL 9 HN VAL 9 7.653 -1.193 -1.193
54 HA VAL 9 HA VAL 9 9.704 -3.309 -3.309
55 HB VAL 9 HB VAL 9 7.489 -3.269 -3.269
56 1HG1 VAL 9 HG12 VAL 9 9.927 -4.952 -4.952
57 2HG1 VAL 9 HG11 VAL 9 8.511 -5.681 -5.681
58 3HG1 VAL 9 HG13 VAL 9 9.314 -4.309 -4.309
59 1HG2 VAL 9 HG21 VAL 9 7.915 -5.099 -5.099
60 2HG2 VAL 9 HG23 VAL 9 6.615 -3.919 -3.919
61 3HG2 VAL 9 HG22 VAL 9 6.684 -5.319 -5.319
62 H ALA 10 HN ALA 10 10.839 -3.395 -3.395
63 HA ALA 10 HA ALA 10 11.672 -0.692 -0.692
64 1HB ALA 10 HB1 ALA 10 13.191 -2.715 -2.715
65 2HB ALA 10 HB3 ALA 10 12.391 -3.223 -3.223
66 3HB ALA 10 HB2 ALA 10 13.299 -1.712 -1.712
67 HA PRO 11 HA PRO 11 8.768 0.674 0.674
68 1HB PRO 11 HB2 PRO 11 11.068 1.269 1.269
69 2HB PRO 11 HB1 PRO 11 9.861 2.366 2.366
70 1HG PRO 11 HG2 PRO 11 12.526 1.873 1.873
71 2HG PRO 11 HG1 PRO 11 11.326 2.991 2.991
72 1HD PRO 11 HD2 PRO 11 12.258 0.716 0.716
73 2HD PRO 11 HD1 PRO 11 10.738 1.551 1.551
74 H ARG 12 HN ARG 12 11.554 -1.344 -1.344
75 HA ARG 12 HA ARG 12 10.137 -2.229 -2.229
76 1HB ARG 12 HB2 ARG 12 12.838 -2.721 -2.721
77 2HB ARG 12 HB1 ARG 12 12.227 -3.827 -3.827
78 1HG ARG 12 HG2 ARG 12 11.703 -1.684 -1.684
79 2HG ARG 12 HG1 ARG 12 12.805 -0.880 -0.880
80 1HD ARG 12 HD2 ARG 12 14.074 -1.609 -1.609
81 2HD ARG 12 HD1 ARG 12 14.538 -2.604 -2.604
82 HE ARG 12 HE ARG 12 13.493 -4.446 -4.446
83 1HH1 ARG 12 HH11 ARG 12 12.797 -1.467 -1.467
84 2HH1 ARG 12 HH12 ARG 12 12.103 -2.253 -2.253
85 1HH2 ARG 12 HH21 ARG 12 12.580 -5.453 -5.453
86 2HH2 ARG 12 HH22 ARG 12 11.981 -4.499 -4.499
87 H GLU 13 HN GLU 13 11.062 -3.582 -3.582
88 HA GLU 13 HA GLU 13 9.935 -6.175 -6.175
89 1HB GLU 13 HB2 GLU 13 10.930 -4.910 -4.910
90 2HB GLU 13 HB1 GLU 13 10.312 -6.561 -6.561
91 1HG GLU 13 HG2 GLU 13 12.050 -6.673 -6.673
92 2HG GLU 13 HG1 GLU 13 12.847 -5.424 -5.424
93 H ARG 14 HN ARG 14 8.054 -4.045 -4.045
94 HA ARG 14 HA ARG 14 6.169 -4.409 -4.409
95 1HB ARG 14 HB2 ARG 14 6.177 -2.358 -2.358
96 2HB ARG 14 HB1 ARG 14 4.994 -2.444 -2.444
97 1HG ARG 14 HG2 ARG 14 7.194 -2.407 -2.407
98 2HG ARG 14 HG1 ARG 14 7.854 -1.590 -1.590
99 1HD ARG 14 HD2 ARG 14 6.236 0.153 0.153
100 2HD ARG 14 HD1 ARG 14 5.241 -0.752 -0.752
101 HE ARG 14 HE ARG 14 7.875 -0.264 -0.264
102 1HH1 ARG 14 HH11 ARG 14 4.748 1.163 1.163
103 2HH1 ARG 14 HH12 ARG 14 4.889 2.310 2.310
104 1HH2 ARG 14 HH21 ARG 14 8.039 1.247 1.247
105 2HH2 ARG 14 HH22 ARG 14 6.745 2.357 2.357
106 H GLN 15 HN GLN 15 4.448 -5.763 -5.763
107 HA GLN 15 HA GLN 15 3.958 -6.721 -6.721
108 1HB GLN 15 HB2 GLN 15 3.277 -7.695 -7.695
109 2HB GLN 15 HB1 GLN 15 2.313 -8.242 -8.242
110 1HG GLN 15 HG2 GLN 15 3.941 -9.854 -9.854
111 2HG GLN 15 HG1 GLN 15 4.777 -8.609 -8.609
112 1HE2 GLN 15 HE22 GLN 15 6.805 -9.908 -9.908
113 2HE2 GLN 15 HE21 GLN 15 5.846 -10.767 -10.767
114 H ASN 16 HN ASN 16 2.483 -5.530 -5.530
115 HA ASN 16 HA ASN 16 0.674 -3.683 -3.683
116 1HB ASN 16 HB2 ASN 16 1.500 -4.242 -4.242
117 2HB ASN 16 HB1 ASN 16 -0.103 -4.972 -4.972
118 1HD2 ASN 16 HD22 ASN 16 -0.419 -1.342 -1.342
119 2HD2 ASN 16 HD21 ASN 16 0.450 -2.652 -2.652
120 H CYS 17 HN CYS 17 -1.237 -3.978 -3.978
121 HA CYS 17 HA CYS 17 -2.433 -6.677 -6.677
122 1HB CYS 17 HB2 CYS 17 -1.860 -5.141 -5.141
123 2HB CYS 17 HB1 CYS 17 -3.451 -4.477 -4.477
124 H GLY 18 HN GLY 18 -2.873 -3.465 -3.465
125 1HA GLY 18 HA2 GLY 18 -5.134 -4.206 -4.206
126 2HA GLY 18 HA1 GLY 18 -5.639 -3.209 -3.209
127 H PHE 19 HN PHE 19 -6.110 -1.988 -1.988
128 HA PHE 19 HA PHE 19 -3.883 -0.595 -0.595
129 1HB PHE 19 HB2 PHE 19 -5.702 0.990 0.990
130 2HB PHE 19 HB1 PHE 19 -5.814 -0.695 -0.695
131 HD1 PHE 19 HD1 PHE 19 -7.439 -2.230 -2.230
132 HD2 PHE 19 HD2 PHE 19 -7.418 2.012 2.012
133 HE1 PHE 19 HE1 PHE 19 -9.733 -2.368 -2.368
134 HE2 PHE 19 HE2 PHE 19 -9.713 1.871 1.871
135 HZ PHE 19 HZ PHE 19 -10.868 -0.317 -0.317
136 HA PRO 20 HA PRO 20 -3.325 2.701 2.701
137 1HB PRO 20 HB2 PRO 20 -2.739 4.804 4.804
138 2HB PRO 20 HB1 PRO 20 -1.601 3.571 3.571
139 1HG PRO 20 HG2 PRO 20 -2.639 3.960 3.960
140 2HG PRO 20 HG1 PRO 20 -1.480 2.746 2.746
141 1HD PRO 20 HD2 PRO 20 -4.340 2.446 2.446
142 2HD PRO 20 HD1 PRO 20 -3.097 1.196 1.196
143 H GLY 21 HN GLY 21 -5.617 3.405 3.405
144 1HA GLY 21 HA2 GLY 21 -6.672 5.831 5.831
145 2HA GLY 21 HA1 GLY 21 -7.567 4.652 4.652
146 H VAL 22 HN VAL 22 -6.735 2.732 2.732
147 HA VAL 22 HA VAL 22 -9.271 2.743 2.743
148 HB VAL 22 HB VAL 22 -8.157 1.303 1.303
149 1HG1 VAL 22 HG11 VAL 22 -8.996 0.453 0.453
150 2HG1 VAL 22 HG13 VAL 22 -7.337 0.570 0.570
151 3HG1 VAL 22 HG12 VAL 22 -7.728 -0.528 -0.528
152 1HG2 VAL 22 HG21 VAL 22 -5.722 2.163 2.163
153 2HG2 VAL 22 HG23 VAL 22 -5.976 2.239 2.239
154 3HG2 VAL 22 HG22 VAL 22 -5.736 0.681 0.681
155 H THR 23 HN THR 23 -9.009 2.763 2.763
156 HA THR 23 HA THR 23 -7.654 5.248 5.248
157 HB THR 23 HB THR 23 -9.757 6.089 6.089
158 HG1 THR 23 HG1 THR 23 -10.831 3.919 3.919
159 1HG2 THR 23 HG21 THR 23 -8.894 6.558 6.558
160 2HG2 THR 23 HG23 THR 23 -10.386 5.729 5.729
161 3HG2 THR 23 HG22 THR 23 -10.446 7.189 7.189
162 HA PRO 24 HA PRO 24 -6.492 3.399 3.399
163 1HB PRO 24 HB2 PRO 24 -8.182 5.265 5.265
164 2HB PRO 24 HB1 PRO 24 -6.421 5.096 5.096
165 1HG PRO 24 HG2 PRO 24 -8.044 7.021 7.021
166 2HG PRO 24 HG1 PRO 24 -6.279 6.922 6.922
167 1HD PRO 24 HD2 PRO 24 -7.727 6.486 6.486
168 2HD PRO 24 HD1 PRO 24 -6.106 5.824 5.824
169 H SER 25 HN SER 25 -9.935 4.123 4.123
170 HA SER 25 HA SER 25 -10.865 2.320 2.320
171 1HB SER 25 HB2 SER 25 -13.065 2.816 2.816
172 2HB SER 25 HB1 SER 25 -12.144 4.317 4.317
173 HG SER 25 HG SER 25 -11.866 4.096 4.096
174 H GLN 26 HN GLN 26 -10.824 2.213 2.213
175 HA GLN 26 HA GLN 26 -11.834 -0.428 -0.428
176 1HB GLN 26 HB2 GLN 26 -10.268 1.384 1.384
177 2HB GLN 26 HB1 GLN 26 -10.522 -0.301 -0.301
178 1HG GLN 26 HG2 GLN 26 -12.927 -0.037 -0.037
179 2HG GLN 26 HG1 GLN 26 -12.754 1.592 1.592
180 1HE2 GLN 26 HE22 GLN 26 -13.086 1.342 1.342
181 2HE2 GLN 26 HE21 GLN 26 -13.760 0.289 0.289
182 H CYS 27 HN CYS 27 -8.452 0.806 0.806
183 HA CYS 27 HA CYS 27 -7.213 -1.718 -1.718
184 1HB CYS 27 HB2 CYS 27 -6.152 0.598 0.598
185 2HB CYS 27 HB1 CYS 27 -6.074 0.610 0.610
186 H ALA 28 HN ALA 28 -8.472 -0.004 -0.004
187 HA ALA 28 HA ALA 28 -7.351 -2.017 -2.017
188 1HB ALA 28 HB1 ALA 28 -9.121 0.396 0.396
189 2HB ALA 28 HB3 ALA 28 -8.529 -0.660 -0.660
190 3HB ALA 28 HB2 ALA 28 -7.390 0.280 0.280
191 H ASN 29 HN ASN 29 -10.028 -1.850 -1.850
192 HA ASN 29 HA ASN 29 -11.977 -3.030 -3.030
193 1HB ASN 29 HB2 ASN 29 -12.309 -1.621 -1.621
194 2HB ASN 29 HB1 ASN 29 -12.207 -3.211 -3.211
195 1HD2 ASN 29 HD22 ASN 29 -15.749 -2.307 -2.307
196 2HD2 ASN 29 HD21 ASN 29 -14.596 -1.325 -1.325
197 H LYS 30 HN LYS 30 -9.749 -4.199 -4.199
198 HA LYS 30 HA LYS 30 -10.716 -6.930 -6.930
199 1HB LYS 30 HB2 LYS 30 -8.798 -5.510 -5.510
200 2HB LYS 30 HB1 LYS 30 -8.535 -7.235 -7.235
201 1HG LYS 30 HG2 LYS 30 -10.816 -7.733 -7.733
202 2HG LYS 30 HG1 LYS 30 -11.169 -6.012 -6.012
203 1HD LYS 30 HD2 LYS 30 -8.913 -7.307 -7.307
204 2HD LYS 30 HD1 LYS 30 -10.562 -7.295 -7.295
205 1HE LYS 30 HE2 LYS 30 -10.576 -4.793 -4.793
206 2HE LYS 30 HE1 LYS 30 -8.861 -4.889 -4.889
207 1HZ LYS 30 HZ2 LYS 30 -8.472 -5.933 -5.933
208 2HZ LYS 30 HZ1 LYS 30 -10.121 -5.795 -5.795
209 3HZ LYS 30 HZ3 LYS 30 -9.181 -4.399 -4.399
210 H GLY 31 HN GLY 31 -7.686 -5.114 -5.114
211 1HA GLY 31 HA2 GLY 31 -6.900 -5.827 -5.827
212 2HA GLY 31 HA1 GLY 31 -6.796 -7.421 -7.421
213 H CYS 32 HN CYS 32 -6.080 -4.920 -4.920
214 HA CYS 32 HA CYS 32 -3.262 -5.711 -5.711
215 1HB CYS 32 HB2 CYS 32 -4.648 -3.714 -3.714
216 2HB CYS 32 HB1 CYS 32 -3.102 -4.508 -4.508
217 H CYS 33 HN CYS 33 -1.572 -4.375 -4.375
218 HA CYS 33 HA CYS 33 -2.256 -2.179 -2.179
219 1HB CYS 33 HB2 CYS 33 0.264 -3.480 -3.480
220 2HB CYS 33 HB1 CYS 33 0.385 -1.835 -1.835
221 H PHE 34 HN PHE 34 -2.597 -0.085 -0.085
222 HA PHE 34 HA PHE 34 -2.008 0.756 0.756
223 1HB PHE 34 HB2 PHE 34 -4.271 1.135 1.135
224 2HB PHE 34 HB1 PHE 34 -3.475 2.281 2.281
225 HD1 PHE 34 HD2 PHE 34 -3.804 1.492 1.492
226 HD2 PHE 34 HD1 PHE 34 -3.303 4.517 4.517
227 HE1 PHE 34 HE2 PHE 34 -3.976 3.253 3.253
228 HE2 PHE 34 HE1 PHE 34 -3.477 6.276 6.276
229 HZ PHE 34 HZ PHE 34 -3.813 5.645 5.645
230 H ASP 35 HN ASP 35 -0.672 2.598 2.598
231 HA ASP 35 HA ASP 35 0.612 3.968 3.968
232 1HB ASP 35 HB2 ASP 35 1.961 1.884 1.884
233 2HB ASP 35 HB1 ASP 35 2.269 2.406 2.406
234 H ASP 36 HN ASP 36 -0.176 5.936 5.936
235 HA ASP 36 HA ASP 36 0.616 6.599 6.599
236 1HB ASP 36 HB2 ASP 36 -0.998 8.493 8.493
237 2HB ASP 36 HB1 ASP 36 -1.758 6.910 6.910
238 H THR 37 HN THR 37 2.893 6.765 6.765
239 HA THR 37 HA THR 37 3.212 9.457 9.457
240 HB THR 37 HB THR 37 5.409 8.489 8.489
241 HG1 THR 37 HG1 THR 37 5.827 6.477 6.477
242 1HG2 THR 37 HG23 THR 37 3.034 8.641 8.641
243 2HG2 THR 37 HG22 THR 37 3.151 6.882 6.882
244 3HG2 THR 37 HG21 THR 37 4.386 7.820 7.820
245 H VAL 38 HN VAL 38 4.629 7.057 7.057
246 HA VAL 38 HA VAL 38 6.152 9.283 9.283
247 HB VAL 38 HB VAL 38 6.628 6.299 6.299
248 1HG1 VAL 38 HG13 VAL 38 7.966 8.776 8.776
249 2HG1 VAL 38 HG12 VAL 38 8.939 7.342 7.342
250 3HG1 VAL 38 HG11 VAL 38 7.620 7.261 7.261
251 1HG2 VAL 38 HG23 VAL 38 7.885 8.408 8.408
252 2HG2 VAL 38 HG22 VAL 38 7.101 6.910 6.910
253 3HG2 VAL 38 HG21 VAL 38 8.653 6.856 6.856
254 H ARG 39 HN ARG 39 6.260 9.251 9.251
255 HA ARG 39 HA ARG 39 3.702 8.296 8.296
256 1HB ARG 39 HB2 ARG 39 4.808 10.748 10.748
257 2HB ARG 39 HB1 ARG 39 5.546 10.009 10.009
258 1HG ARG 39 HG2 ARG 39 3.411 9.481 9.481
259 2HG ARG 39 HG1 ARG 39 2.575 9.873 9.873
260 1HD ARG 39 HD2 ARG 39 2.321 11.711 11.711
261 2HD ARG 39 HD1 ARG 39 3.298 12.234 12.234
262 HE ARG 39 HE ARG 39 4.453 11.420 11.420
263 1HH1 ARG 39 HH21 ARG 39 4.426 13.390 13.390
264 2HH1 ARG 39 HH22 ARG 39 5.823 14.300 14.300
265 1HH2 ARG 39 HH11 ARG 39 6.277 12.631 12.631
266 2HH2 ARG 39 HH12 ARG 39 6.864 13.874 13.874
267 H GLY 40 HN GLY 40 3.906 7.575 7.575
268 1HA GLY 40 HA2 GLY 40 4.990 6.328 6.328
269 2HA GLY 40 HA1 GLY 40 6.453 6.326 6.326
270 H VAL 41 HN VAL 41 5.908 5.134 5.134
271 HA VAL 41 HA VAL 41 5.461 2.393 2.393
272 HB VAL 41 HB VAL 41 5.636 2.020 2.020
273 1HG1 VAL 41 HG11 VAL 41 7.654 3.785 3.785
274 2HG1 VAL 41 HG13 VAL 41 7.952 3.105 3.105
275 3HG1 VAL 41 HG12 VAL 41 7.705 2.036 2.036
276 1HG2 VAL 41 HG21 VAL 41 5.604 5.045 5.045
277 2HG2 VAL 41 HG23 VAL 41 4.574 3.957 3.957
278 3HG2 VAL 41 HG22 VAL 41 6.280 4.123 4.123
279 HA PRO 42 HA PRO 42 1.103 2.080 2.080
280 1HB PRO 42 HB2 PRO 42 1.043 -0.526 -0.526
281 2HB PRO 42 HB1 PRO 42 1.093 -0.072 -0.072
282 1HG PRO 42 HG2 PRO 42 3.106 -1.396 -1.396
283 2HG PRO 42 HG1 PRO 42 3.167 -0.905 -0.905
284 1HD PRO 42 HD2 PRO 42 4.338 0.419 0.419
285 2HD PRO 42 HD1 PRO 42 4.785 0.566 0.566
286 H TRP 43 HN TRP 43 -0.122 2.867 2.867
287 HA TRP 43 HA TRP 43 0.952 2.926 2.926
288 1HB TRP 43 HB2 TRP 43 -1.862 3.593 3.593
289 2HB TRP 43 HB1 TRP 43 -1.074 4.127 4.127
290 HD1 TRP 43 HD1 TRP 43 1.742 4.944 4.944
291 HE1 TRP 43 HE1 TRP 43 1.905 7.062 7.062
292 HE3 TRP 43 HE3 TRP 43 -3.158 5.470 5.470
293 HZ2 TRP 43 HZ2 TRP 43 0.185 8.755 8.755
294 HZ3 TRP 43 HZ3 TRP 43 -3.867 7.344 7.344
295 HH2 TRP 43 HH2 TRP 43 -2.204 8.985 8.985
296 H CYS 44 HN CYS 44 -1.727 1.144 1.144
297 HA CYS 44 HA CYS 44 -2.247 -0.330 -0.330
298 1HB CYS 44 HB2 CYS 44 -4.041 0.443 0.443
299 2HB CYS 44 HB1 CYS 44 -3.455 -0.835 -0.835
300 H PHE 45 HN PHE 45 -0.796 -1.964 -1.964
301 HA PHE 45 HA PHE 45 -0.208 -3.890 -3.890
302 1HB PHE 45 HB2 PHE 45 2.171 -3.918 -3.918
303 2HB PHE 45 HB1 PHE 45 1.693 -2.276 -2.276
304 HD1 PHE 45 HD1 PHE 45 0.839 -0.858 -0.858
305 HD2 PHE 45 HD2 PHE 45 3.538 -4.191 -4.191
306 HE1 PHE 45 HE1 PHE 45 1.722 -0.065 -0.065
307 HE2 PHE 45 HE2 PHE 45 4.423 -3.400 -3.400
308 HZ PHE 45 HZ PHE 45 3.514 -1.336 -1.336
309 H TYR 46 HN TYR 46 1.080 -5.848 -5.848
310 HA TYR 46 HA TYR 46 -0.634 -6.825 -6.825
311 1HB TYR 46 HB2 TYR 46 1.677 -7.892 -7.892
312 2HB TYR 46 HB1 TYR 46 1.218 -8.716 -8.716
313 HD1 TYR 46 HD2 TYR 46 -1.112 -9.598 -9.598
314 HD2 TYR 46 HD1 TYR 46 0.309 -8.010 -8.010
315 HE1 TYR 46 HE2 TYR 46 -3.009 -10.673 -10.673
316 HE2 TYR 46 HE1 TYR 46 -1.589 -9.083 -9.083
317 HH TYR 46 HH TYR 46 -3.305 -10.498 -10.498
318 HA PRO 47 HA PRO 47 2.062 -5.983 -5.983
319 1HB PRO 47 HB2 PRO 47 1.284 -8.026 -8.026
320 2HB PRO 47 HB1 PRO 47 0.280 -6.616 -6.616
321 1HG PRO 47 HG2 PRO 47 -0.152 -9.358 -9.358
322 2HG PRO 47 HG1 PRO 47 -1.203 -7.958 -7.958
323 1HD PRO 47 HD2 PRO 47 0.687 -9.254 -9.254
324 2HD PRO 47 HD1 PRO 47 -0.694 -8.190 -8.190
325 H ASN 48 HN ASN 48 3.498 -7.289 -7.289
326 HA ASN 48 HA ASN 48 4.823 -9.642 -9.642
327 1HB ASN 48 HB2 ASN 48 5.995 -6.906 -6.906
328 2HB ASN 48 HB1 ASN 48 7.072 -8.210 -8.210
329 1HD2 ASN 48 HD22 ASN 48 7.013 -7.995 -7.995
330 2HD2 ASN 48 HD21 ASN 48 7.342 -6.865 -6.865
331 H THR 49 HN THR 49 3.997 -10.404 -10.404
332 HA THR 49 HA THR 49 4.944 -9.143 -9.143
333 HB THR 49 HB THR 49 3.979 -11.164 -11.164
334 HG1 THR 49 HG1 THR 49 2.904 -12.041 -12.041
335 1HG2 THR 49 HG23 THR 49 2.626 -9.127 -9.127
336 2HG2 THR 49 HG22 THR 49 2.079 -10.171 -10.171
337 3HG2 THR 49 HG21 THR 49 1.725 -10.599 -10.599
338 H ILE 50 HN ILE 50 6.797 -9.626 -9.626
339 HA ILE 50 HA ILE 50 8.436 -11.888 -11.888
340 HB ILE 50 HB ILE 50 9.442 -9.274 -9.274
341 1HG1 ILE 50 HG12 ILE 50 9.679 -10.155 -10.155
342 2HG1 ILE 50 HG11 ILE 50 8.286 -9.228 -9.228
343 1HG2 ILE 50 HG23 ILE 50 10.704 -11.804 -11.804
344 2HG2 ILE 50 HG22 ILE 50 11.547 -10.281 -10.281
345 3HG2 ILE 50 HG21 ILE 50 11.163 -10.783 -10.783
346 1HD1 ILE 50 HD11 ILE 50 10.981 -8.220 -8.220
347 2HD1 ILE 50 HD13 ILE 50 10.508 -8.035 -8.035
348 3HD1 ILE 50 HD12 ILE 50 9.520 -7.320 -7.320
349 H ASP 51 HN ASP 51 9.810 -12.924 -12.924
350 HA ASP 51 HA ASP 51 9.446 -12.254 -12.254
351 1HB ASP 51 HB2 ASP 51 8.322 -14.411 -14.411
352 2HB ASP 51 HB1 ASP 51 7.291 -13.334 -13.334
353 H VAL 52 HN VAL 52 10.888 -13.511 -13.511
354 HA VAL 52 HA VAL 52 13.119 -14.630 -14.630
355 HB VAL 52 HB VAL 52 14.100 -14.937 -14.937
356 1HG1 VAL 52 HG13 VAL 52 12.878 -12.246 -12.246
357 2HG1 VAL 52 HG12 VAL 52 14.115 -12.479 -12.479
358 3HG1 VAL 52 HG11 VAL 52 14.478 -12.829 -12.829
359 1HG2 VAL 52 HG23 VAL 52 11.333 -14.008 -14.008
360 2HG2 VAL 52 HG22 VAL 52 12.238 -15.391 -15.391
361 3HG2 VAL 52 HG21 VAL 52 12.711 -13.754 -13.754
362 HA PRO 53 HA PRO 53 12.111 -18.940 -18.940
363 1HB PRO 53 HB2 PRO 53 14.554 -19.591 -19.591
364 2HB PRO 53 HB1 PRO 53 14.135 -19.961 -19.961
365 1HG PRO 53 HG2 PRO 53 15.810 -17.857 -17.857
366 2HG PRO 53 HG1 PRO 53 15.464 -18.288 -18.288
367 1HD PRO 53 HD2 PRO 53 14.629 -15.951 -15.951
368 2HD PRO 53 HD1 PRO 53 13.845 -16.685 -16.685
369 HA PRO 54 HA PRO 54 10.689 -19.381 -19.381
370 1HB PRO 54 HB2 PRO 54 8.007 -19.506 -19.506
371 2HB PRO 54 HB1 PRO 54 8.877 -18.013 -18.013
372 1HG PRO 54 HG2 PRO 54 7.750 -18.793 -18.793
373 2HG PRO 54 HG1 PRO 54 8.619 -17.302 -17.302
374 1HD PRO 54 HD2 PRO 54 9.617 -19.751 -19.751
375 2HD PRO 54 HD1 PRO 54 10.248 -18.090 -18.090
376 H GLU 55 HN GLU 55 8.595 -20.945 -20.945
377 HA GLU 55 HA GLU 55 9.569 -23.582 -23.582
378 1HB GLU 55 HB2 GLU 55 7.635 -22.994 -22.994
379 2HB GLU 55 HB1 GLU 55 6.626 -22.860 -22.860
380 1HG GLU 55 HG2 GLU 55 6.652 -25.136 -25.136
381 2HG GLU 55 HG1 GLU 55 8.227 -25.359 -25.359
382 H GLU 56 HN GLU 56 9.773 -24.879 -24.879
383 HA GLU 56 HA GLU 56 8.805 -23.880 -23.880
384 1HB GLU 56 HB2 GLU 56 11.026 -25.242 -25.242
385 2HB GLU 56 HB1 GLU 56 9.985 -26.603 -26.603
386 1HG GLU 56 HG2 GLU 56 9.415 -25.253 -25.253
387 2HG GLU 56 HG1 GLU 56 10.844 -24.295 -24.295
388 H GLU 57 HN GLU 57 7.584 -25.393 -25.393
389 HA GLU 57 HA GLU 57 5.732 -27.138 -27.138
390 1HB GLU 57 HB2 GLU 57 4.760 -24.886 -24.886
391 2HB GLU 57 HB1 GLU 57 4.926 -25.462 -25.462
392 1HG GLU 57 HG2 GLU 57 2.790 -26.217 -26.217
393 2HG GLU 57 HG1 GLU 57 3.688 -27.602 -27.602
394 H SER 58 HN SER 58 6.462 -29.159 -29.159
395 HA SER 58 HA SER 58 7.084 -29.558 -29.558
396 1HB SER 58 HB2 SER 58 8.115 -31.620 -31.620
397 2HB SER 58 HB1 SER 58 8.633 -30.386 -30.386
398 HG SER 58 HG SER 58 7.682 -32.567 -32.567
399 H GLU 59 HN GLU 59 5.593 -30.501 -30.501
400 HA GLU 59 HA GLU 59 3.517 -32.215 -32.215
401 1HB GLU 59 HB2 GLU 59 2.700 -29.835 -29.835
402 2HB GLU 59 HB1 GLU 59 2.914 -30.196 -30.196
403 1HG GLU 59 HG2 GLU 59 1.224 -31.804 -31.804
404 2HG GLU 59 HG1 GLU 59 1.353 -32.098 -32.098
405 H PHE 60 HN PHE 60 4.061 -34.186 -34.186
406 HA PHE 60 HA PHE 60 4.637 -34.223 -34.223
407 1HB PHE 60 HB2 PHE 60 5.713 -36.434 -36.434
408 2HB PHE 60 HB1 PHE 60 6.494 -35.091 -35.091
409 HD1 PHE 60 HD1 PHE 60 5.854 -34.629 -34.629
410 HD2 PHE 60 HD2 PHE 60 4.787 -38.246 -38.246
411 HE1 PHE 60 HE1 PHE 60 5.445 -35.745 -35.745
412 HE2 PHE 60 HE2 PHE 60 4.379 -39.362 -39.362
413 HZ PHE 60 HZ PHE 60 4.707 -38.112 -38.112
Start of MODEL 13
1 1H GLU 1 HT1 GLU 1 5.580 -15.062 -15.062
2 2H GLU 1 HT3 GLU 1 4.182 -15.390 -15.390
3 3H GLU 1 HT2 GLU 1 4.820 -16.576 -16.576
4 HA GLU 1 HA GLU 1 3.386 -15.878 -15.878
5 1HB GLU 1 HB2 GLU 1 3.193 -13.352 -13.352
6 2HB GLU 1 HB1 GLU 1 2.173 -13.717 -13.717
7 1HG GLU 1 HG2 GLU 1 1.041 -15.420 -15.420
8 2HG GLU 1 HG1 GLU 1 2.381 -15.739 -15.739
9 H ALA 2 HN ALA 2 3.839 -15.081 -15.081
10 HA ALA 2 HA ALA 2 5.652 -12.782 -12.782
11 1HB ALA 2 HB2 ALA 2 6.296 -15.606 -15.606
12 2HB ALA 2 HB1 ALA 2 6.831 -14.328 -14.328
13 3HB ALA 2 HB3 ALA 2 7.361 -14.333 -14.333
14 H GLN 3 HN GLN 3 3.655 -11.802 -11.802
15 HA GLN 3 HA GLN 3 3.205 -12.591 -12.591
16 1HB GLN 3 HB2 GLN 3 1.210 -12.397 -12.397
17 2HB GLN 3 HB1 GLN 3 0.728 -11.800 -11.800
18 1HG GLN 3 HG2 GLN 3 0.140 -14.017 -14.017
19 2HG GLN 3 HG1 GLN 3 1.819 -14.110 -14.110
20 1HE2 GLN 3 HE22 GLN 3 0.803 -15.656 -15.656
21 2HE2 GLN 3 HE21 GLN 3 -0.233 -14.539 -14.539
22 H THR 4 HN THR 4 4.193 -10.792 -10.792
23 HA THR 4 HA THR 4 3.119 -8.153 -8.153
24 HB THR 4 HB THR 4 5.324 -7.205 -7.205
25 HG1 THR 4 HG1 THR 4 5.630 -9.753 -9.753
26 1HG2 THR 4 HG23 THR 4 5.362 -9.400 -9.400
27 2HG2 THR 4 HG22 THR 4 6.609 -8.161 -8.161
28 3HG2 THR 4 HG21 THR 4 4.957 -7.703 -7.703
29 H GLU 5 HN GLU 5 2.459 -6.782 -6.782
30 HA GLU 5 HA GLU 5 2.587 -7.981 -7.981
31 1HB GLU 5 HB2 GLU 5 0.600 -6.100 -6.100
32 2HB GLU 5 HB1 GLU 5 0.634 -6.407 -6.407
33 1HG GLU 5 HG2 GLU 5 -0.954 -7.953 -7.953
34 2HG GLU 5 HG1 GLU 5 0.512 -8.904 -8.904
35 H THR 6 HN THR 6 3.447 -6.755 -6.755
36 HA THR 6 HA THR 6 4.056 -3.925 -3.925
37 HB THR 6 HB THR 6 6.303 -5.688 -5.688
38 HG1 THR 6 HG1 THR 6 5.427 -5.231 -5.231
39 1HG2 THR 6 HG21 THR 6 6.440 -3.225 -3.225
40 2HG2 THR 6 HG23 THR 6 6.182 -3.072 -3.072
41 3HG2 THR 6 HG22 THR 6 7.644 -3.848 -3.848
42 H CYS 7 HN CYS 7 3.975 -2.770 -2.770
43 HA CYS 7 HA CYS 7 3.624 -4.396 -4.396
44 1HB CYS 7 HB2 CYS 7 2.651 -1.587 -1.587
45 2HB CYS 7 HB1 CYS 7 2.345 -2.480 -2.480
46 H THR 8 HN THR 8 6.238 -3.637 -3.637
47 HA THR 8 HA THR 8 7.124 -1.441 -1.441
48 HB THR 8 HB THR 8 8.005 -1.491 -1.491
49 HG1 THR 8 HG1 THR 8 10.230 -2.404 -2.404
50 1HG2 THR 8 HG22 THR 8 7.851 -4.199 -4.199
51 2HG2 THR 8 HG21 THR 8 9.579 -3.962 -3.962
52 3HG2 THR 8 HG23 THR 8 8.812 -3.358 -3.358
53 H VAL 9 HN VAL 9 7.971 -1.820 -1.820
54 HA VAL 9 HA VAL 9 9.372 -4.353 -4.353
55 HB VAL 9 HB VAL 9 7.100 -3.379 -3.379
56 1HG1 VAL 9 HG11 VAL 9 9.123 -5.587 -5.587
57 2HG1 VAL 9 HG13 VAL 9 7.515 -5.866 -5.866
58 3HG1 VAL 9 HG12 VAL 9 8.511 -4.549 -4.549
59 1HG2 VAL 9 HG23 VAL 9 7.267 -5.614 -5.614
60 2HG2 VAL 9 HG22 VAL 9 6.127 -4.268 -4.268
61 3HG2 VAL 9 HG21 VAL 9 6.020 -5.540 -5.540
62 H ALA 10 HN ALA 10 10.561 -4.236 -4.236
63 HA ALA 10 HA ALA 10 11.736 -1.609 -1.609
64 1HB ALA 10 HB1 ALA 10 12.387 -4.334 -4.334
65 2HB ALA 10 HB3 ALA 10 12.648 -3.228 -3.228
66 3HB ALA 10 HB2 ALA 10 13.458 -2.948 -2.948
67 HA PRO 11 HA PRO 11 9.092 0.418 0.418
68 1HB PRO 11 HB2 PRO 11 11.480 0.856 0.856
69 2HB PRO 11 HB1 PRO 11 10.417 2.038 2.038
70 1HG PRO 11 HG2 PRO 11 12.974 1.101 1.101
71 2HG PRO 11 HG1 PRO 11 11.927 2.315 2.315
72 1HD PRO 11 HD2 PRO 11 12.506 -0.159 -0.159
73 2HD PRO 11 HD1 PRO 11 11.090 0.826 0.826
74 H ARG 12 HN ARG 12 11.773 -1.360 -1.360
75 HA ARG 12 HA ARG 12 10.084 -2.062 -2.062
76 1HB ARG 12 HB2 ARG 12 12.884 -2.658 -2.658
77 2HB ARG 12 HB1 ARG 12 12.144 -3.704 -3.704
78 1HG ARG 12 HG2 ARG 12 11.926 -0.732 -0.732
79 2HG ARG 12 HG1 ARG 12 13.441 -1.529 -1.529
80 1HD ARG 12 HD2 ARG 12 12.385 -2.905 -2.905
81 2HD ARG 12 HD1 ARG 12 10.775 -2.509 -2.509
82 HE ARG 12 HE ARG 12 11.932 -0.094 -0.094
83 1HH1 ARG 12 HH11 ARG 12 11.071 -3.149 -3.149
84 2HH1 ARG 12 HH12 ARG 12 10.767 -2.471 -2.471
85 1HH2 ARG 12 HH21 ARG 12 11.529 0.772 0.772
86 2HH2 ARG 12 HH22 ARG 12 11.026 -0.262 -0.262
87 H GLU 13 HN GLU 13 11.080 -3.640 -3.640
88 HA GLU 13 HA GLU 13 9.970 -6.205 -6.205
89 1HB GLU 13 HB2 GLU 13 11.080 -5.153 -5.153
90 2HB GLU 13 HB1 GLU 13 10.445 -6.788 -6.788
91 1HG GLU 13 HG2 GLU 13 12.085 -6.764 -6.764
92 2HG GLU 13 HG1 GLU 13 12.933 -5.578 -5.578
93 H ARG 14 HN ARG 14 8.277 -3.626 -3.626
94 HA ARG 14 HA ARG 14 6.429 -4.343 -4.343
95 1HB ARG 14 HB2 ARG 14 6.742 -2.036 -2.036
96 2HB ARG 14 HB1 ARG 14 5.158 -2.336 -2.336
97 1HG ARG 14 HG2 ARG 14 6.283 -2.386 -2.386
98 2HG ARG 14 HG1 ARG 14 7.762 -1.842 -1.842
99 1HD ARG 14 HD2 ARG 14 6.568 0.155 0.155
100 2HD ARG 14 HD1 ARG 14 5.104 -0.383 -0.383
101 HE ARG 14 HE ARG 14 7.351 -0.187 -0.187
102 1HH1 ARG 14 HH11 ARG 14 4.846 1.594 1.594
103 2HH1 ARG 14 HH12 ARG 14 4.804 2.870 2.870
104 1HH2 ARG 14 HH21 ARG 14 7.279 1.498 1.498
105 2HH2 ARG 14 HH22 ARG 14 6.174 2.815 2.815
106 H GLN 15 HN GLN 15 4.682 -5.662 -5.662
107 HA GLN 15 HA GLN 15 4.080 -6.474 -6.474
108 1HB GLN 15 HB2 GLN 15 3.554 -7.523 -7.523
109 2HB GLN 15 HB1 GLN 15 2.277 -7.809 -7.809
110 1HG GLN 15 HG2 GLN 15 3.585 -9.197 -9.197
111 2HG GLN 15 HG1 GLN 15 5.070 -8.327 -8.327
112 1HE2 GLN 15 HE22 GLN 15 5.443 -10.081 -10.081
113 2HE2 GLN 15 HE21 GLN 15 5.564 -8.507 -8.507
114 H ASN 16 HN ASN 16 2.530 -5.419 -5.419
115 HA ASN 16 HA ASN 16 0.883 -3.400 -3.400
116 1HB ASN 16 HB2 ASN 16 1.712 -3.912 -3.912
117 2HB ASN 16 HB1 ASN 16 0.081 -4.581 -4.581
118 1HD2 ASN 16 HD22 ASN 16 0.021 -0.867 -0.867
119 2HD2 ASN 16 HD21 ASN 16 0.927 -2.152 -2.152
120 H CYS 17 HN CYS 17 -0.922 -3.780 -3.780
121 HA CYS 17 HA CYS 17 -2.232 -6.388 -6.388
122 1HB CYS 17 HB2 CYS 17 -1.709 -4.861 -4.861
123 2HB CYS 17 HB1 CYS 17 -3.277 -4.180 -4.180
124 H GLY 18 HN GLY 18 -2.665 -3.095 -3.095
125 1HA GLY 18 HA2 GLY 18 -4.839 -3.829 -3.829
126 2HA GLY 18 HA1 GLY 18 -5.402 -2.869 -2.869
127 H PHE 19 HN PHE 19 -5.760 -1.661 -1.661
128 HA PHE 19 HA PHE 19 -3.510 -0.174 -0.174
129 1HB PHE 19 HB2 PHE 19 -5.314 1.328 1.328
130 2HB PHE 19 HB1 PHE 19 -5.325 -0.361 -0.361
131 HD1 PHE 19 HD1 PHE 19 -6.963 -1.959 -1.959
132 HD2 PHE 19 HD2 PHE 19 -7.185 2.303 2.303
133 HE1 PHE 19 HE1 PHE 19 -9.317 -2.171 -2.171
134 HE2 PHE 19 HE2 PHE 19 -9.541 2.087 2.087
135 HZ PHE 19 HZ PHE 19 -10.603 -0.148 -0.148
136 HA PRO 20 HA PRO 20 -3.355 3.138 3.138
137 1HB PRO 20 HB2 PRO 20 -2.711 5.266 5.266
138 2HB PRO 20 HB1 PRO 20 -1.573 4.081 4.081
139 1HG PRO 20 HG2 PRO 20 -2.394 4.432 4.432
140 2HG PRO 20 HG1 PRO 20 -1.241 3.261 3.261
141 1HD PRO 20 HD2 PRO 20 -4.033 2.853 2.853
142 2HD PRO 20 HD1 PRO 20 -2.762 1.653 1.653
143 H GLY 21 HN GLY 21 -5.419 3.763 3.763
144 1HA GLY 21 HA2 GLY 21 -6.668 6.132 6.132
145 2HA GLY 21 HA1 GLY 21 -7.417 4.921 4.921
146 H VAL 22 HN VAL 22 -6.728 3.032 3.032
147 HA VAL 22 HA VAL 22 -9.367 2.907 2.907
148 HB VAL 22 HB VAL 22 -8.342 1.525 1.525
149 1HG1 VAL 22 HG11 VAL 22 -8.929 0.623 0.623
150 2HG1 VAL 22 HG13 VAL 22 -7.238 0.845 0.845
151 3HG1 VAL 22 HG12 VAL 22 -7.668 -0.278 -0.278
152 1HG2 VAL 22 HG22 VAL 22 -5.819 2.505 2.505
153 2HG2 VAL 22 HG21 VAL 22 -6.238 2.580 2.580
154 3HG2 VAL 22 HG23 VAL 22 -5.849 1.030 1.030
155 H THR 23 HN THR 23 -9.301 2.910 2.910
156 HA THR 23 HA THR 23 -8.266 5.551 5.551
157 HB THR 23 HB THR 23 -10.531 5.911 5.911
158 HG1 THR 23 HG1 THR 23 -11.532 4.239 4.239
159 1HG2 THR 23 HG22 THR 23 -9.991 6.068 6.068
160 2HG2 THR 23 HG21 THR 23 -11.596 6.498 6.498
161 3HG2 THR 23 HG23 THR 23 -10.177 7.371 7.371
162 HA PRO 24 HA PRO 24 -6.910 3.889 3.889
163 1HB PRO 24 HB2 PRO 24 -8.862 5.420 5.420
164 2HB PRO 24 HB1 PRO 24 -7.102 5.584 5.584
165 1HG PRO 24 HG2 PRO 24 -9.111 7.168 7.168
166 2HG PRO 24 HG1 PRO 24 -7.365 7.437 7.437
167 1HD PRO 24 HD2 PRO 24 -8.687 6.755 6.755
168 2HD PRO 24 HD1 PRO 24 -6.966 6.431 6.431
169 H SER 25 HN SER 25 -10.451 4.164 4.164
170 HA SER 25 HA SER 25 -11.069 2.146 2.146
171 1HB SER 25 HB2 SER 25 -12.609 4.017 4.017
172 2HB SER 25 HB1 SER 25 -12.840 3.053 3.053
173 HG SER 25 HG SER 25 -13.975 1.645 1.645
174 H GLN 26 HN GLN 26 -10.786 2.201 2.201
175 HA GLN 26 HA GLN 26 -11.648 -0.477 -0.477
176 1HB GLN 26 HB2 GLN 26 -10.178 1.573 1.573
177 2HB GLN 26 HB1 GLN 26 -10.034 -0.106 -0.106
178 1HG GLN 26 HG2 GLN 26 -12.703 0.004 0.004
179 2HG GLN 26 HG1 GLN 26 -12.406 1.684 1.684
180 1HE2 GLN 26 HE21 GLN 26 -12.646 2.002 2.002
181 2HE2 GLN 26 HE22 GLN 26 -12.272 0.864 0.864
182 H CYS 27 HN CYS 27 -8.326 0.918 0.918
183 HA CYS 27 HA CYS 27 -6.968 -1.553 -1.553
184 1HB CYS 27 HB2 CYS 27 -6.006 0.821 0.821
185 2HB CYS 27 HB1 CYS 27 -6.000 0.805 0.805
186 H ALA 28 HN ALA 28 -8.464 0.086 0.086
187 HA ALA 28 HA ALA 28 -7.339 -1.867 -1.867
188 1HB ALA 28 HB1 ALA 28 -7.833 0.677 0.677
189 2HB ALA 28 HB3 ALA 28 -9.481 0.115 0.115
190 3HB ALA 28 HB2 ALA 28 -8.156 -0.489 -0.489
191 H ASN 29 HN ASN 29 -9.912 -1.840 -1.840
192 HA ASN 29 HA ASN 29 -11.941 -3.050 -3.050
193 1HB ASN 29 HB2 ASN 29 -12.309 -1.824 -1.824
194 2HB ASN 29 HB1 ASN 29 -11.667 -3.259 -3.259
195 1HD2 ASN 29 HD22 ASN 29 -15.476 -3.392 -3.392
196 2HD2 ASN 29 HD21 ASN 29 -14.504 -2.091 -2.091
197 H LYS 30 HN LYS 30 -9.726 -4.360 -4.360
198 HA LYS 30 HA LYS 30 -10.423 -7.084 -7.084
199 1HB LYS 30 HB2 LYS 30 -8.371 -5.707 -5.707
200 2HB LYS 30 HB1 LYS 30 -8.166 -7.420 -7.420
201 1HG LYS 30 HG2 LYS 30 -10.709 -7.560 -7.560
202 2HG LYS 30 HG1 LYS 30 -10.337 -6.066 -6.066
203 1HD LYS 30 HD2 LYS 30 -8.947 -7.113 -7.113
204 2HD LYS 30 HD1 LYS 30 -8.384 -8.290 -8.290
205 1HE LYS 30 HE2 LYS 30 -10.862 -9.173 -9.173
206 2HE LYS 30 HE1 LYS 30 -10.858 -8.349 -8.349
207 1HZ LYS 30 HZ1 LYS 30 -8.485 -9.800 -9.800
208 2HZ LYS 30 HZ3 LYS 30 -9.813 -10.816 -10.816
209 3HZ LYS 30 HZ2 LYS 30 -9.683 -9.961 -9.961
210 H GLY 31 HN GLY 31 -7.565 -5.018 -5.018
211 1HA GLY 31 HA2 GLY 31 -6.877 -5.381 -5.381
212 2HA GLY 31 HA1 GLY 31 -6.661 -7.053 -7.053
213 H CYS 32 HN CYS 32 -5.975 -4.707 -4.707
214 HA CYS 32 HA CYS 32 -3.157 -5.439 -5.439
215 1HB CYS 32 HB2 CYS 32 -4.552 -3.421 -3.421
216 2HB CYS 32 HB1 CYS 32 -3.000 -4.200 -4.200
217 H CYS 33 HN CYS 33 -1.449 -4.060 -4.060
218 HA CYS 33 HA CYS 33 -2.109 -1.916 -1.916
219 1HB CYS 33 HB2 CYS 33 0.557 -2.663 -2.663
220 2HB CYS 33 HB1 CYS 33 0.323 -1.601 -1.601
221 H PHE 34 HN PHE 34 -2.581 0.165 0.165
222 HA PHE 34 HA PHE 34 -1.988 1.031 1.031
223 1HB PHE 34 HB2 PHE 34 -4.280 1.327 1.327
224 2HB PHE 34 HB1 PHE 34 -3.542 2.509 2.509
225 HD1 PHE 34 HD2 PHE 34 -3.526 1.691 1.691
226 HD2 PHE 34 HD1 PHE 34 -3.700 4.735 4.735
227 HE1 PHE 34 HE2 PHE 34 -3.726 3.428 3.428
228 HE2 PHE 34 HE1 PHE 34 -3.902 6.471 6.471
229 HZ PHE 34 HZ PHE 34 -3.915 5.819 5.819
230 H ASP 35 HN ASP 35 -0.617 2.799 2.799
231 HA ASP 35 HA ASP 35 0.465 4.409 4.409
232 1HB ASP 35 HB2 ASP 35 1.803 2.287 2.287
233 2HB ASP 35 HB1 ASP 35 2.330 2.578 2.578
234 H ASP 36 HN ASP 36 -0.106 6.271 6.271
235 HA ASP 36 HA ASP 36 1.014 6.492 6.492
236 1HB ASP 36 HB2 ASP 36 -0.590 8.395 8.395
237 2HB ASP 36 HB1 ASP 36 -1.391 6.857 6.857
238 H THR 37 HN THR 37 3.169 6.883 6.883
239 HA THR 37 HA THR 37 3.354 9.695 9.695
240 HB THR 37 HB THR 37 5.359 8.972 8.972
241 HG1 THR 37 HG1 THR 37 5.283 6.504 6.504
242 1HG2 THR 37 HG21 THR 37 3.127 9.004 9.004
243 2HG2 THR 37 HG23 THR 37 2.882 7.327 7.327
244 3HG2 THR 37 HG22 THR 37 4.153 7.735 7.735
245 H VAL 38 HN VAL 38 4.888 7.086 7.086
246 HA VAL 38 HA VAL 38 6.600 9.151 9.151
247 HB VAL 38 HB VAL 38 6.951 6.139 6.139
248 1HG1 VAL 38 HG12 VAL 38 7.937 7.711 7.711
249 2HG1 VAL 38 HG11 VAL 38 9.063 8.200 8.200
250 3HG1 VAL 38 HG13 VAL 38 8.986 6.513 6.513
251 1HG2 VAL 38 HG23 VAL 38 7.973 8.317 8.317
252 2HG2 VAL 38 HG22 VAL 38 7.376 6.712 6.712
253 3HG2 VAL 38 HG21 VAL 38 8.970 6.894 6.894
254 H ARG 39 HN ARG 39 6.588 9.337 9.337
255 HA ARG 39 HA ARG 39 4.217 8.216 8.216
256 1HB ARG 39 HB2 ARG 39 6.203 10.373 10.373
257 2HB ARG 39 HB1 ARG 39 5.302 9.647 9.647
258 1HG ARG 39 HG2 ARG 39 3.851 10.562 10.562
259 2HG ARG 39 HG1 ARG 39 4.293 11.729 11.729
260 1HD ARG 39 HD2 ARG 39 3.201 9.594 9.594
261 2HD ARG 39 HD1 ARG 39 2.167 9.733 9.733
262 HE ARG 39 HE ARG 39 2.241 12.280 12.280
263 1HH1 ARG 39 HH21 ARG 39 2.041 9.431 9.431
264 2HH1 ARG 39 HH22 ARG 39 1.171 10.228 10.228
265 1HH2 ARG 39 HH11 ARG 39 1.100 13.300 13.300
266 2HH2 ARG 39 HH12 ARG 39 0.642 12.408 12.408
267 H GLY 40 HN GLY 40 4.709 7.576 7.576
268 1HA GLY 40 HA2 GLY 40 5.891 6.235 6.235
269 2HA GLY 40 HA1 GLY 40 7.241 6.197 6.197
270 H VAL 41 HN VAL 41 6.545 5.019 5.019
271 HA VAL 41 HA VAL 41 5.908 2.311 2.311
272 HB VAL 41 HB VAL 41 6.082 1.919 1.919
273 1HG1 VAL 41 HG13 VAL 41 8.212 3.531 3.531
274 2HG1 VAL 41 HG12 VAL 41 8.475 2.831 2.831
275 3HG1 VAL 41 HG11 VAL 41 8.137 1.782 1.782
276 1HG2 VAL 41 HG22 VAL 41 6.247 4.938 4.938
277 2HG2 VAL 41 HG21 VAL 41 5.184 3.910 3.910
278 3HG2 VAL 41 HG23 VAL 41 6.910 3.982 3.982
279 HA PRO 42 HA PRO 42 1.548 2.347 2.347
280 1HB PRO 42 HB2 PRO 42 1.279 -0.188 -0.188
281 2HB PRO 42 HB1 PRO 42 1.329 0.166 0.166
282 1HG PRO 42 HG2 PRO 42 3.261 -1.226 -1.226
283 2HG PRO 42 HG1 PRO 42 3.303 -0.880 -0.880
284 1HD PRO 42 HD2 PRO 42 4.711 0.472 0.472
285 2HD PRO 42 HD1 PRO 42 5.038 0.517 0.517
286 H TRP 43 HN TRP 43 -0.008 2.621 2.621
287 HA TRP 43 HA TRP 43 1.256 3.069 3.069
288 1HB TRP 43 HB2 TRP 43 -1.568 3.758 3.758
289 2HB TRP 43 HB1 TRP 43 -0.681 4.398 4.398
290 HD1 TRP 43 HD1 TRP 43 2.067 5.056 5.056
291 HE1 TRP 43 HE1 TRP 43 2.204 7.016 7.016
292 HE3 TRP 43 HE3 TRP 43 -2.866 5.500 5.500
293 HZ2 TRP 43 HZ2 TRP 43 0.454 8.567 8.567
294 HZ3 TRP 43 HZ3 TRP 43 -3.601 7.224 7.224
295 HH2 TRP 43 HH2 TRP 43 -1.948 8.758 8.758
296 H CYS 44 HN CYS 44 -1.430 1.227 1.227
297 HA CYS 44 HA CYS 44 -2.015 -0.053 -0.053
298 1HB CYS 44 HB2 CYS 44 -3.800 0.648 0.648
299 2HB CYS 44 HB1 CYS 44 -3.216 -0.643 -0.643
300 H PHE 45 HN PHE 45 -0.453 -1.585 -1.585
301 HA PHE 45 HA PHE 45 0.132 -3.629 -3.629
302 1HB PHE 45 HB2 PHE 45 2.434 -3.788 -3.788
303 2HB PHE 45 HB1 PHE 45 2.098 -2.156 -2.156
304 HD1 PHE 45 HD1 PHE 45 1.081 -0.535 -0.535
305 HD2 PHE 45 HD2 PHE 45 3.461 -4.023 -4.023
306 HE1 PHE 45 HE1 PHE 45 1.682 0.365 0.365
307 HE2 PHE 45 HE2 PHE 45 4.066 -3.124 -3.124
308 HZ PHE 45 HZ PHE 45 3.175 -0.928 -0.928
309 H TYR 46 HN TYR 46 1.290 -5.608 -5.608
310 HA TYR 46 HA TYR 46 -0.718 -6.499 -6.499
311 1HB TYR 46 HB2 TYR 46 1.632 -7.722 -7.722
312 2HB TYR 46 HB1 TYR 46 0.993 -8.519 -8.519
313 HD1 TYR 46 HD2 TYR 46 -1.480 -9.117 -9.117
314 HD2 TYR 46 HD1 TYR 46 0.505 -7.866 -7.866
315 HE1 TYR 46 HE2 TYR 46 -3.331 -10.064 -10.064
316 HE2 TYR 46 HE1 TYR 46 -1.345 -8.814 -8.814
317 HH TYR 46 HH TYR 46 -4.076 -10.499 -10.499
318 HA PRO 47 HA PRO 47 1.720 -5.872 -5.872
319 1HB PRO 47 HB2 PRO 47 0.770 -7.994 -7.994
320 2HB PRO 47 HB1 PRO 47 -0.108 -6.485 -6.485
321 1HG PRO 47 HG2 PRO 47 -0.760 -9.105 -9.105
322 2HG PRO 47 HG1 PRO 47 -1.642 -7.595 -7.595
323 1HD PRO 47 HD2 PRO 47 0.220 -9.011 -9.011
324 2HD PRO 47 HD1 PRO 47 -1.035 -7.814 -7.814
325 H ASN 48 HN ASN 48 3.235 -7.009 -7.009
326 HA ASN 48 HA ASN 48 4.494 -9.438 -9.438
327 1HB ASN 48 HB2 ASN 48 5.714 -6.727 -6.727
328 2HB ASN 48 HB1 ASN 48 6.715 -8.103 -8.103
329 1HD2 ASN 48 HD22 ASN 48 7.519 -8.606 -8.606
330 2HD2 ASN 48 HD21 ASN 48 8.069 -8.428 -8.428
331 H THR 49 HN THR 49 3.355 -10.337 -10.337
332 HA THR 49 HA THR 49 4.325 -9.433 -9.433
333 HB THR 49 HB THR 49 2.744 -11.061 -11.061
334 HG1 THR 49 HG1 THR 49 1.734 -11.812 -11.812
335 1HG2 THR 49 HG23 THR 49 1.747 -9.382 -9.382
336 2HG2 THR 49 HG22 THR 49 0.651 -10.258 -10.258
337 3HG2 THR 49 HG21 THR 49 1.702 -9.002 -9.002
338 H ILE 50 HN ILE 50 5.768 -10.590 -10.590
339 HA ILE 50 HA ILE 50 7.178 -12.807 -12.807
340 HB ILE 50 HB ILE 50 7.976 -11.229 -11.229
341 1HG1 ILE 50 HG12 ILE 50 9.134 -10.936 -10.936
342 2HG1 ILE 50 HG11 ILE 50 7.758 -9.964 -9.964
343 1HG2 ILE 50 HG23 ILE 50 9.414 -13.206 -13.206
344 2HG2 ILE 50 HG22 ILE 50 10.249 -12.158 -12.158
345 3HG2 ILE 50 HG21 ILE 50 9.095 -13.358 -13.358
346 1HD1 ILE 50 HD13 ILE 50 9.211 -9.406 -9.406
347 2HD1 ILE 50 HD12 ILE 50 10.561 -10.002 -10.002
348 3HD1 ILE 50 HD11 ILE 50 9.618 -8.622 -8.622
349 H ASP 51 HN ASP 51 7.520 -14.823 -14.823
350 HA ASP 51 HA ASP 51 5.937 -15.157 -15.157
351 1HB ASP 51 HB2 ASP 51 5.730 -16.717 -16.717
352 2HB ASP 51 HB1 ASP 51 5.313 -17.461 -17.461
353 H VAL 52 HN VAL 52 6.453 -17.447 -17.447
354 HA VAL 52 HA VAL 52 9.381 -17.840 -17.840
355 HB VAL 52 HB VAL 52 9.178 -18.856 -18.856
356 1HG1 VAL 52 HG11 VAL 52 9.745 -16.456 -16.456
357 2HG1 VAL 52 HG13 VAL 52 8.030 -16.058 -16.058
358 3HG1 VAL 52 HG12 VAL 52 8.863 -16.732 -16.732
359 1HG2 VAL 52 HG21 VAL 52 6.303 -18.298 -18.298
360 2HG2 VAL 52 HG23 VAL 52 7.030 -19.599 -19.599
361 3HG2 VAL 52 HG22 VAL 52 6.862 -17.992 -17.992
362 HA PRO 53 HA PRO 53 7.481 -21.376 -21.376
363 1HB PRO 53 HB2 PRO 53 10.312 -21.966 -21.966
364 2HB PRO 53 HB1 PRO 53 9.057 -21.585 -21.585
365 1HG PRO 53 HG2 PRO 53 11.078 -19.847 -19.847
366 2HG PRO 53 HG1 PRO 53 9.956 -19.542 -19.542
367 1HD PRO 53 HD2 PRO 53 9.813 -18.273 -18.273
368 2HD PRO 53 HD1 PRO 53 8.417 -18.511 -18.511
369 HA PRO 54 HA PRO 54 10.788 -24.329 -24.329
370 1HB PRO 54 HB2 PRO 54 10.914 -22.522 -22.522
371 2HB PRO 54 HB1 PRO 54 12.210 -23.427 -23.427
372 1HG PRO 54 HG2 PRO 54 11.530 -20.664 -20.664
373 2HG PRO 54 HG1 PRO 54 12.850 -21.564 -21.564
374 1HD PRO 54 HD2 PRO 54 10.687 -20.521 -20.521
375 2HD PRO 54 HD1 PRO 54 11.687 -21.856 -21.856
376 H GLU 55 HN GLU 55 8.626 -22.073 -22.073
377 HA GLU 55 HA GLU 55 7.280 -24.456 -24.456
378 1HB GLU 55 HB2 GLU 55 7.714 -21.649 -21.649
379 2HB GLU 55 HB1 GLU 55 6.303 -22.543 -22.543
380 1HG GLU 55 HG2 GLU 55 8.046 -24.457 -24.457
381 2HG GLU 55 HG1 GLU 55 9.215 -23.138 -23.138
382 H GLU 56 HN GLU 56 5.370 -24.968 -24.968
383 HA GLU 56 HA GLU 56 3.627 -22.745 -22.745
384 1HB GLU 56 HB2 GLU 56 4.811 -24.899 -24.899
385 2HB GLU 56 HB1 GLU 56 3.111 -24.523 -24.523
386 1HG GLU 56 HG2 GLU 56 4.028 -22.019 -22.019
387 2HG GLU 56 HG1 GLU 56 5.522 -22.812 -22.812
388 H GLU 57 HN GLU 57 1.872 -23.037 -23.037
389 HA GLU 57 HA GLU 57 0.618 -25.710 -25.710
390 1HB GLU 57 HB2 GLU 57 1.523 -24.139 -24.139
391 2HB GLU 57 HB1 GLU 57 0.118 -25.201 -25.201
392 1HG GLU 57 HG2 GLU 57 2.794 -26.117 -26.117
393 2HG GLU 57 HG1 GLU 57 2.330 -26.285 -26.285
394 H SER 58 HN SER 58 -1.691 -25.624 -25.624
395 HA SER 58 HA SER 58 -2.869 -22.928 -22.928
396 1HB SER 58 HB2 SER 58 -4.434 -23.574 -23.574
397 2HB SER 58 HB1 SER 58 -2.772 -23.246 -23.246
398 HG SER 58 HG SER 58 -3.665 -25.207 -25.207
399 H GLU 59 HN GLU 59 -5.094 -22.967 -22.967
400 HA GLU 59 HA GLU 59 -5.658 -25.201 -25.201
401 1HB GLU 59 HB2 GLU 59 -6.281 -22.605 -22.605
402 2HB GLU 59 HB1 GLU 59 -7.747 -23.168 -23.168
403 1HG GLU 59 HG2 GLU 59 -8.096 -24.839 -24.839
404 2HG GLU 59 HG1 GLU 59 -6.606 -24.330 -24.330
405 H PHE 60 HN PHE 60 -7.894 -26.283 -26.283
406 HA PHE 60 HA PHE 60 -9.036 -26.474 -26.474
407 1HB PHE 60 HB2 PHE 60 -7.056 -28.189 -28.189
408 2HB PHE 60 HB1 PHE 60 -8.321 -29.060 -29.060
409 HD1 PHE 60 HD2 PHE 60 -10.422 -29.730 -29.730
410 HD2 PHE 60 HD1 PHE 60 -7.045 -28.064 -28.064
411 HE1 PHE 60 HE2 PHE 60 -11.329 -30.563 -30.563
412 HE2 PHE 60 HE1 PHE 60 -7.954 -28.897 -28.897
413 HZ PHE 60 HZ PHE 60 -10.094 -30.146 -30.146
Start of MODEL 14
1 1H GLU 1 HT3 GLU 1 11.557 -5.572 -5.572
2 2H GLU 1 HT2 GLU 1 13.110 -5.313 -5.313
3 3H GLU 1 HT1 GLU 1 12.893 -5.476 -5.476
4 HA GLU 1 HA GLU 1 12.776 -7.681 -7.681
5 1HB GLU 1 HB2 GLU 1 14.862 -6.890 -6.890
6 2HB GLU 1 HB1 GLU 1 13.997 -7.308 -7.308
7 1HG GLU 1 HG2 GLU 1 15.159 -9.287 -9.287
8 2HG GLU 1 HG1 GLU 1 13.582 -9.598 -9.598
9 H ALA 2 HN ALA 2 10.226 -6.899 -6.899
10 HA ALA 2 HA ALA 2 9.573 -8.704 -8.704
11 1HB ALA 2 HB3 ALA 2 9.100 -6.101 -6.101
12 2HB ALA 2 HB2 ALA 2 7.711 -6.530 -6.530
13 3HB ALA 2 HB1 ALA 2 7.906 -7.253 -7.253
14 H GLN 3 HN GLN 3 6.859 -8.983 -8.983
15 HA GLN 3 HA GLN 3 6.741 -10.245 -10.245
16 1HB GLN 3 HB2 GLN 3 5.226 -10.938 -10.938
17 2HB GLN 3 HB1 GLN 3 5.085 -11.778 -11.778
18 1HG GLN 3 HG2 GLN 3 7.117 -12.823 -12.823
19 2HG GLN 3 HG1 GLN 3 7.833 -11.468 -11.468
20 1HE2 GLN 3 HE22 GLN 3 7.540 -13.648 -13.648
21 2HE2 GLN 3 HE21 GLN 3 8.618 -13.020 -13.020
22 H THR 4 HN THR 4 5.784 -8.603 -8.603
23 HA THR 4 HA THR 4 2.979 -8.060 -8.060
24 HB THR 4 HB THR 4 3.398 -5.553 -5.553
25 HG1 THR 4 HG1 THR 4 6.010 -6.456 -6.456
26 1HG2 THR 4 HG22 THR 4 2.867 -6.752 -6.752
27 2HG2 THR 4 HG21 THR 4 4.600 -6.762 -6.762
28 3HG2 THR 4 HG23 THR 4 3.738 -5.230 -5.230
29 H GLU 5 HN GLU 5 1.899 -7.033 -7.033
30 HA GLU 5 HA GLU 5 2.884 -8.060 -8.060
31 1HB GLU 5 HB2 GLU 5 0.712 -6.022 -6.022
32 2HB GLU 5 HB1 GLU 5 0.982 -6.796 -6.796
33 1HG GLU 5 HG2 GLU 5 0.265 -8.876 -8.876
34 2HG GLU 5 HG1 GLU 5 0.665 -8.522 -8.522
35 H THR 6 HN THR 6 3.815 -6.933 -6.933
36 HA THR 6 HA THR 6 4.646 -4.142 -4.142
37 HB THR 6 HB THR 6 6.466 -6.079 -6.079
38 HG1 THR 6 HG1 THR 6 5.933 -6.949 -6.949
39 1HG2 THR 6 HG23 THR 6 6.607 -3.411 -3.411
40 2HG2 THR 6 HG22 THR 6 7.384 -3.911 -3.911
41 3HG2 THR 6 HG21 THR 6 8.041 -4.436 -4.436
42 H CYS 7 HN CYS 7 4.037 -2.810 -2.810
43 HA CYS 7 HA CYS 7 3.485 -4.062 -4.062
44 1HB CYS 7 HB2 CYS 7 2.405 -1.501 -1.501
45 2HB CYS 7 HB1 CYS 7 2.010 -2.120 -2.120
46 H THR 8 HN THR 8 6.026 -2.695 -2.695
47 HA THR 8 HA THR 8 6.486 -0.571 -0.571
48 HB THR 8 HB THR 8 7.149 -0.080 -0.080
49 HG1 THR 8 HG1 THR 8 8.551 0.807 0.807
50 1HG2 THR 8 HG21 THR 8 7.838 -2.816 -2.816
51 2HG2 THR 8 HG23 THR 8 9.352 -1.934 -1.934
52 3HG2 THR 8 HG22 THR 8 8.010 -1.641 -1.641
53 H VAL 9 HN VAL 9 7.022 -1.453 -1.453
54 HA VAL 9 HA VAL 9 9.218 -3.454 -3.454
55 HB VAL 9 HB VAL 9 6.977 -3.211 -3.211
56 1HG1 VAL 9 HG12 VAL 9 9.417 -4.928 -4.928
57 2HG1 VAL 9 HG11 VAL 9 7.972 -5.635 -5.635
58 3HG1 VAL 9 HG13 VAL 9 8.723 -4.218 -4.218
59 1HG2 VAL 9 HG23 VAL 9 7.404 -5.134 -5.134
60 2HG2 VAL 9 HG22 VAL 9 6.048 -4.029 -4.029
61 3HG2 VAL 9 HG21 VAL 9 6.248 -5.411 -5.411
62 H ALA 10 HN ALA 10 10.543 -3.363 -3.363
63 HA ALA 10 HA ALA 10 11.357 -0.674 -0.674
64 1HB ALA 10 HB1 ALA 10 12.014 -3.279 -3.279
65 2HB ALA 10 HB3 ALA 10 12.807 -1.745 -1.745
66 3HB ALA 10 HB2 ALA 10 12.973 -2.473 -2.473
67 HA PRO 11 HA PRO 11 8.085 0.620 0.620
68 1HB PRO 11 HB2 PRO 11 10.221 2.076 2.076
69 2HB PRO 11 HB1 PRO 11 8.766 2.698 2.698
70 1HG PRO 11 HG2 PRO 11 11.432 2.699 2.699
71 2HG PRO 11 HG1 PRO 11 9.967 3.275 3.275
72 1HD PRO 11 HD2 PRO 11 11.492 1.061 1.061
73 2HD PRO 11 HD1 PRO 11 9.845 1.423 1.423
74 H ARG 12 HN ARG 12 11.204 -0.739 -0.739
75 HA ARG 12 HA ARG 12 10.290 -1.175 -1.175
76 1HB ARG 12 HB2 ARG 12 12.778 -2.003 -2.003
77 2HB ARG 12 HB1 ARG 12 12.483 -2.423 -2.423
78 1HG ARG 12 HG2 ARG 12 12.692 -0.231 -0.231
79 2HG ARG 12 HG1 ARG 12 12.196 0.441 0.441
80 1HD ARG 12 HD2 ARG 12 14.324 -0.106 -0.106
81 2HD ARG 12 HD1 ARG 12 14.813 -1.022 -1.022
82 HE ARG 12 HE ARG 12 14.362 1.435 1.435
83 1HH1 ARG 12 HH11 ARG 12 16.119 0.341 0.341
84 2HH1 ARG 12 HH12 ARG 12 17.266 1.638 1.638
85 1HH2 ARG 12 HH21 ARG 12 15.874 3.128 3.128
86 2HH2 ARG 12 HH22 ARG 12 17.127 3.208 3.208
87 H GLU 13 HN GLU 13 10.860 -3.159 -3.159
88 HA GLU 13 HA GLU 13 9.872 -5.534 -5.534
89 1HB GLU 13 HB2 GLU 13 11.072 -5.059 -5.059
90 2HB GLU 13 HB1 GLU 13 10.348 -6.605 -6.605
91 1HG GLU 13 HG2 GLU 13 12.503 -5.257 -5.257
92 2HG GLU 13 HG1 GLU 13 12.855 -6.440 -6.440
93 H ARG 14 HN ARG 14 7.902 -3.532 -3.532
94 HA ARG 14 HA ARG 14 6.192 -4.481 -4.481
95 1HB ARG 14 HB2 ARG 14 6.153 -1.964 -1.964
96 2HB ARG 14 HB1 ARG 14 4.807 -2.433 -2.433
97 1HG ARG 14 HG2 ARG 14 6.773 -2.711 -2.711
98 2HG ARG 14 HG1 ARG 14 7.548 -1.517 -1.517
99 1HD ARG 14 HD2 ARG 14 5.252 -0.269 -0.269
100 2HD ARG 14 HD1 ARG 14 5.012 -1.267 -1.267
101 HE ARG 14 HE ARG 14 7.438 -0.265 -0.265
102 1HH1 ARG 14 HH11 ARG 14 4.575 1.255 1.255
103 2HH1 ARG 14 HH12 ARG 14 4.948 2.813 2.813
104 1HH2 ARG 14 HH21 ARG 14 7.910 1.789 1.789
105 2HH2 ARG 14 HH22 ARG 14 6.828 3.114 3.114
106 H GLN 15 HN GLN 15 4.174 -5.406 -5.406
107 HA GLN 15 HA GLN 15 3.641 -5.946 -5.946
108 1HB GLN 15 HB2 GLN 15 3.309 -7.545 -7.545
109 2HB GLN 15 HB1 GLN 15 2.158 -7.805 -7.805
110 1HG GLN 15 HG2 GLN 15 3.814 -8.550 -8.550
111 2HG GLN 15 HG1 GLN 15 5.107 -7.750 -7.750
112 1HE2 GLN 15 HE22 GLN 15 5.790 -10.600 -10.600
113 2HE2 GLN 15 HE21 GLN 15 6.309 -9.095 -9.095
114 H ASN 16 HN ASN 16 1.813 -5.007 -5.007
115 HA ASN 16 HA ASN 16 0.180 -3.317 -3.317
116 1HB ASN 16 HB2 ASN 16 0.675 -3.466 -3.466
117 2HB ASN 16 HB1 ASN 16 -0.887 -4.281 -4.281
118 1HD2 ASN 16 HD22 ASN 16 -1.453 -0.573 -0.573
119 2HD2 ASN 16 HD21 ASN 16 -0.605 -1.712 -1.712
120 H CYS 17 HN CYS 17 -1.361 -3.975 -3.975
121 HA CYS 17 HA CYS 17 -2.466 -6.632 -6.632
122 1HB CYS 17 HB2 CYS 17 -2.139 -4.889 -4.889
123 2HB CYS 17 HB1 CYS 17 -3.745 -4.362 -4.362
124 H GLY 18 HN GLY 18 -3.418 -3.442 -3.442
125 1HA GLY 18 HA2 GLY 18 -5.558 -4.680 -4.680
126 2HA GLY 18 HA1 GLY 18 -6.060 -3.453 -3.453
127 H PHE 19 HN PHE 19 -6.678 -2.696 -2.696
128 HA PHE 19 HA PHE 19 -4.624 -1.509 -1.509
129 1HB PHE 19 HB2 PHE 19 -6.568 -0.063 -0.063
130 2HB PHE 19 HB1 PHE 19 -6.703 -1.802 -1.802
131 HD1 PHE 19 HD2 PHE 19 -8.132 -3.136 -3.136
132 HD2 PHE 19 HD1 PHE 19 -8.154 1.158 1.158
133 HE1 PHE 19 HE2 PHE 19 -10.296 -3.122 -3.122
134 HE2 PHE 19 HE1 PHE 19 -10.325 1.172 1.172
135 HZ PHE 19 HZ PHE 19 -11.393 -0.968 -0.968
136 HA PRO 20 HA PRO 20 -3.746 2.230 2.230
137 1HB PRO 20 HB2 PRO 20 -3.519 4.053 4.053
138 2HB PRO 20 HB1 PRO 20 -2.257 2.945 2.945
139 1HG PRO 20 HG2 PRO 20 -3.704 2.897 2.897
140 2HG PRO 20 HG1 PRO 20 -2.411 1.817 1.817
141 1HD PRO 20 HD2 PRO 20 -5.294 1.346 1.346
142 2HD PRO 20 HD1 PRO 20 -3.974 0.182 0.182
143 H GLY 21 HN GLY 21 -6.404 2.543 2.543
144 1HA GLY 21 HA2 GLY 21 -7.386 5.051 5.051
145 2HA GLY 21 HA1 GLY 21 -8.340 3.815 3.815
146 H VAL 22 HN VAL 22 -7.080 2.202 2.202
147 HA VAL 22 HA VAL 22 -9.553 2.073 2.073
148 HB VAL 22 HB VAL 22 -8.222 0.961 0.961
149 1HG1 VAL 22 HG12 VAL 22 -9.077 -0.262 -0.262
150 2HG1 VAL 22 HG11 VAL 22 -7.527 0.017 0.017
151 3HG1 VAL 22 HG13 VAL 22 -7.607 -0.972 -0.972
152 1HG2 VAL 22 HG21 VAL 22 -6.006 2.121 2.121
153 2HG2 VAL 22 HG23 VAL 22 -6.103 1.849 1.849
154 3HG2 VAL 22 HG22 VAL 22 -5.751 0.504 0.504
155 H THR 23 HN THR 23 -9.689 2.614 2.614
156 HA THR 23 HA THR 23 -8.388 5.226 5.226
157 HB THR 23 HB THR 23 -10.563 5.893 5.893
158 HG1 THR 23 HG1 THR 23 -11.290 3.455 3.455
159 1HG2 THR 23 HG22 THR 23 -10.250 5.417 5.417
160 2HG2 THR 23 HG21 THR 23 -11.776 6.057 6.057
161 3HG2 THR 23 HG23 THR 23 -10.277 6.941 6.941
162 HA PRO 24 HA PRO 24 -6.961 4.003 4.003
163 1HB PRO 24 HB2 PRO 24 -8.885 5.753 5.753
164 2HB PRO 24 HB1 PRO 24 -7.119 5.839 5.839
165 1HG PRO 24 HG2 PRO 24 -9.017 7.367 7.367
166 2HG PRO 24 HG1 PRO 24 -7.256 7.521 7.521
167 1HD PRO 24 HD2 PRO 24 -8.684 6.652 6.652
168 2HD PRO 24 HD1 PRO 24 -6.972 6.282 6.282
169 H SER 25 HN SER 25 -10.520 4.324 4.324
170 HA SER 25 HA SER 25 -11.133 2.566 2.566
171 1HB SER 25 HB2 SER 25 -13.412 2.580 2.580
172 2HB SER 25 HB1 SER 25 -12.753 4.209 4.209
173 HG SER 25 HG SER 25 -13.626 2.920 2.920
174 H GLN 26 HN GLN 26 -10.993 2.098 2.098
175 HA GLN 26 HA GLN 26 -11.771 -0.623 -0.623
176 1HB GLN 26 HB2 GLN 26 -10.263 1.136 1.136
177 2HB GLN 26 HB1 GLN 26 -10.316 -0.604 -0.604
178 1HG GLN 26 HG2 GLN 26 -12.918 -0.212 -0.212
179 2HG GLN 26 HG1 GLN 26 -12.523 1.402 1.402
180 1HE2 GLN 26 HE21 GLN 26 -11.841 1.614 1.614
181 2HE2 GLN 26 HE22 GLN 26 -12.037 0.345 0.345
182 H CYS 27 HN CYS 27 -8.486 0.858 0.858
183 HA CYS 27 HA CYS 27 -7.065 -1.590 -1.590
184 1HB CYS 27 HB2 CYS 27 -6.210 0.815 0.815
185 2HB CYS 27 HB1 CYS 27 -6.105 0.948 0.948
186 H ALA 28 HN ALA 28 -8.767 0.225 0.225
187 HA ALA 28 HA ALA 28 -7.493 -1.363 -1.363
188 1HB ALA 28 HB1 ALA 28 -9.335 1.022 1.022
189 2HB ALA 28 HB3 ALA 28 -9.049 0.108 0.108
190 3HB ALA 28 HB2 ALA 28 -7.705 0.905 0.905
191 H ASN 29 HN ASN 29 -10.122 -1.678 -1.678
192 HA ASN 29 HA ASN 29 -11.806 -3.044 -3.044
193 1HB ASN 29 HB2 ASN 29 -12.659 -1.388 -1.388
194 2HB ASN 29 HB1 ASN 29 -12.491 -2.773 -2.773
195 1HD2 ASN 29 HD22 ASN 29 -15.917 -3.163 -3.163
196 2HD2 ASN 29 HD21 ASN 29 -15.019 -2.296 -2.296
197 H LYS 30 HN LYS 30 -9.585 -3.692 -3.692
198 HA LYS 30 HA LYS 30 -10.492 -6.476 -6.476
199 1HB LYS 30 HB2 LYS 30 -8.636 -4.689 -4.689
200 2HB LYS 30 HB1 LYS 30 -8.317 -6.423 -6.423
201 1HG LYS 30 HG2 LYS 30 -11.101 -5.393 -5.393
202 2HG LYS 30 HG1 LYS 30 -9.915 -5.395 -5.395
203 1HD LYS 30 HD2 LYS 30 -9.497 -7.860 -7.860
204 2HD LYS 30 HD1 LYS 30 -10.987 -7.756 -7.756
205 1HE LYS 30 HE2 LYS 30 -11.149 -6.690 -6.690
206 2HE LYS 30 HE1 LYS 30 -10.919 -8.434 -8.434
207 1HZ LYS 30 HZ1 LYS 30 -12.781 -8.492 -8.492
208 2HZ LYS 30 HZ3 LYS 30 -13.027 -6.832 -6.832
209 3HZ LYS 30 HZ2 LYS 30 -13.224 -7.915 -7.915
210 H GLY 31 HN GLY 31 -8.238 -4.615 -4.615
211 1HA GLY 31 HA2 GLY 31 -7.051 -5.552 -5.552
212 2HA GLY 31 HA1 GLY 31 -7.073 -7.116 -7.116
213 H CYS 32 HN CYS 32 -6.276 -4.479 -4.479
214 HA CYS 32 HA CYS 32 -3.490 -5.432 -5.432
215 1HB CYS 32 HB2 CYS 32 -4.904 -3.463 -3.463
216 2HB CYS 32 HB1 CYS 32 -3.348 -4.233 -4.233
217 H CYS 33 HN CYS 33 -1.702 -3.966 -3.966
218 HA CYS 33 HA CYS 33 -2.281 -1.788 -1.788
219 1HB CYS 33 HB2 CYS 33 0.360 -2.602 -2.602
220 2HB CYS 33 HB1 CYS 33 0.137 -1.562 -1.562
221 H PHE 34 HN PHE 34 -2.579 0.324 0.324
222 HA PHE 34 HA PHE 34 -1.992 1.065 1.065
223 1HB PHE 34 HB2 PHE 34 -4.280 1.481 1.481
224 2HB PHE 34 HB1 PHE 34 -3.522 2.636 2.636
225 HD1 PHE 34 HD1 PHE 34 -2.572 4.735 4.735
226 HD2 PHE 34 HD2 PHE 34 -4.445 1.938 1.938
227 HE1 PHE 34 HE1 PHE 34 -2.658 6.475 6.475
228 HE2 PHE 34 HE2 PHE 34 -4.533 3.677 3.677
229 HZ PHE 34 HZ PHE 34 -3.639 5.945 5.945
230 H ASP 35 HN ASP 35 -0.230 2.369 2.369
231 HA ASP 35 HA ASP 35 0.796 4.083 4.083
232 1HB ASP 35 HB2 ASP 35 2.014 1.799 1.799
233 2HB ASP 35 HB1 ASP 35 2.684 2.441 2.441
234 H ASP 36 HN ASP 36 0.852 6.115 6.115
235 HA ASP 36 HA ASP 36 1.474 6.390 6.390
236 1HB ASP 36 HB2 ASP 36 0.325 8.611 8.611
237 2HB ASP 36 HB1 ASP 36 -0.742 7.242 7.242
238 H THR 37 HN THR 37 3.802 6.160 6.160
239 HA THR 37 HA THR 37 4.761 8.658 8.658
240 HB THR 37 HB THR 37 6.951 7.179 7.179
241 HG1 THR 37 HG1 THR 37 6.595 5.262 5.262
242 1HG2 THR 37 HG21 THR 37 5.504 7.963 7.963
243 2HG2 THR 37 HG23 THR 37 4.646 6.428 6.428
244 3HG2 THR 37 HG22 THR 37 6.365 6.448 6.448
245 H VAL 38 HN VAL 38 5.924 6.350 6.350
246 HA VAL 38 HA VAL 38 7.096 8.674 8.674
247 HB VAL 38 HB VAL 38 7.594 5.714 5.714
248 1HG1 VAL 38 HG13 VAL 38 9.049 8.208 8.208
249 2HG1 VAL 38 HG12 VAL 38 9.596 6.553 6.553
250 3HG1 VAL 38 HG11 VAL 38 8.099 7.119 7.119
251 1HG2 VAL 38 HG23 VAL 38 9.108 7.788 7.788
252 2HG2 VAL 38 HG22 VAL 38 8.355 6.314 6.314
253 3HG2 VAL 38 HG21 VAL 38 9.768 6.214 6.214
254 H ARG 39 HN ARG 39 6.766 8.852 8.852
255 HA ARG 39 HA ARG 39 4.103 7.893 7.893
256 1HB ARG 39 HB2 ARG 39 6.021 9.808 9.808
257 2HB ARG 39 HB1 ARG 39 4.377 9.458 9.458
258 1HG ARG 39 HG2 ARG 39 4.091 11.412 11.412
259 2HG ARG 39 HG1 ARG 39 3.701 10.146 10.146
260 1HD ARG 39 HD2 ARG 39 5.442 10.706 10.706
261 2HD ARG 39 HD1 ARG 39 6.563 10.711 10.711
262 HE ARG 39 HE ARG 39 5.070 13.020 13.020
263 1HH1 ARG 39 HH21 ARG 39 7.122 11.621 11.621
264 2HH1 ARG 39 HH22 ARG 39 7.659 13.150 13.150
265 1HH2 ARG 39 HH11 ARG 39 5.787 15.014 15.014
266 2HH2 ARG 39 HH12 ARG 39 6.906 15.061 15.061
267 H GLY 40 HN GLY 40 3.948 7.219 7.219
268 1HA GLY 40 HA2 GLY 40 4.711 5.922 5.922
269 2HA GLY 40 HA1 GLY 40 6.310 5.882 5.882
270 H VAL 41 HN VAL 41 5.845 4.808 4.808
271 HA VAL 41 HA VAL 41 5.398 2.034 2.034
272 HB VAL 41 HB VAL 41 5.759 1.714 1.714
273 1HG1 VAL 41 HG11 VAL 41 7.606 2.109 2.109
274 2HG1 VAL 41 HG13 VAL 41 7.816 3.666 3.666
275 3HG1 VAL 41 HG12 VAL 41 8.056 2.173 2.173
276 1HG2 VAL 41 HG21 VAL 41 4.662 3.985 3.985
277 2HG2 VAL 41 HG23 VAL 41 6.106 3.567 3.567
278 3HG2 VAL 41 HG22 VAL 41 6.218 4.701 4.701
279 HA PRO 42 HA PRO 42 1.125 1.753 1.753
280 1HB PRO 42 HB2 PRO 42 1.133 -0.855 -0.855
281 2HB PRO 42 HB1 PRO 42 1.071 -0.400 -0.400
282 1HG PRO 42 HG2 PRO 42 3.184 -1.722 -1.722
283 2HG PRO 42 HG1 PRO 42 3.124 -1.253 -1.253
284 1HD PRO 42 HD2 PRO 42 4.463 0.097 0.097
285 2HD PRO 42 HD1 PRO 42 4.783 0.227 0.227
286 H TRP 43 HN TRP 43 0.068 2.537 2.537
287 HA TRP 43 HA TRP 43 1.398 2.501 2.501
288 1HB TRP 43 HB2 TRP 43 -1.427 3.381 3.381
289 2HB TRP 43 HB1 TRP 43 -0.500 3.816 3.816
290 HD1 TRP 43 HD1 TRP 43 2.276 4.432 4.432
291 HE1 TRP 43 HE1 TRP 43 2.489 6.591 6.591
292 HE3 TRP 43 HE3 TRP 43 -2.663 5.439 5.439
293 HZ2 TRP 43 HZ2 TRP 43 0.797 8.491 8.491
294 HZ3 TRP 43 HZ3 TRP 43 -3.331 7.430 7.430
295 HH2 TRP 43 HH2 TRP 43 -1.609 8.956 8.956
296 H CYS 44 HN CYS 44 -1.684 1.110 1.110
297 HA CYS 44 HA CYS 44 -2.111 -0.429 -0.429
298 1HB CYS 44 HB2 CYS 44 -3.848 0.395 0.395
299 2HB CYS 44 HB1 CYS 44 -3.373 -1.057 -1.057
300 H PHE 45 HN PHE 45 -0.716 -2.108 -2.108
301 HA PHE 45 HA PHE 45 -0.152 -4.029 -4.029
302 1HB PHE 45 HB2 PHE 45 2.239 -4.189 -4.189
303 2HB PHE 45 HB1 PHE 45 1.866 -2.806 -2.806
304 HD1 PHE 45 HD2 PHE 45 1.676 -3.773 -3.773
305 HD2 PHE 45 HD1 PHE 45 2.533 -0.709 -0.709
306 HE1 PHE 45 HE2 PHE 45 2.347 -2.247 -2.247
307 HE2 PHE 45 HE1 PHE 45 3.206 0.820 0.820
308 HZ PHE 45 HZ PHE 45 3.111 0.051 0.051
309 H TYR 46 HN TYR 46 1.058 -6.043 -6.043
310 HA TYR 46 HA TYR 46 -0.721 -7.015 -7.015
311 1HB TYR 46 HB2 TYR 46 1.846 -8.240 -8.240
312 2HB TYR 46 HB1 TYR 46 0.586 -9.076 -9.076
313 HD1 TYR 46 HD2 TYR 46 -1.903 -8.509 -8.509
314 HD2 TYR 46 HD1 TYR 46 1.830 -8.669 -8.669
315 HE1 TYR 46 HE2 TYR 46 -3.119 -8.965 -8.965
316 HE2 TYR 46 HE1 TYR 46 0.615 -9.124 -9.124
317 HH TYR 46 HH TYR 46 -1.505 -8.947 -8.947
318 HA PRO 47 HA PRO 47 1.837 -6.155 -6.155
319 1HB PRO 47 HB2 PRO 47 0.745 -8.045 -8.045
320 2HB PRO 47 HB1 PRO 47 -0.011 -6.496 -6.496
321 1HG PRO 47 HG2 PRO 47 -0.892 -9.130 -9.130
322 2HG PRO 47 HG1 PRO 47 -1.666 -7.579 -7.579
323 1HD PRO 47 HD2 PRO 47 0.012 -9.275 -9.275
324 2HD PRO 47 HD1 PRO 47 -1.144 -8.000 -8.000
325 H ASN 48 HN ASN 48 3.188 -7.397 -7.397
326 HA ASN 48 HA ASN 48 4.348 -9.865 -9.865
327 1HB ASN 48 HB2 ASN 48 5.732 -7.327 -7.327
328 2HB ASN 48 HB1 ASN 48 6.571 -8.871 -8.871
329 1HD2 ASN 48 HD22 ASN 48 7.392 -8.875 -8.875
330 2HD2 ASN 48 HD21 ASN 48 7.807 -9.304 -9.304
331 H THR 49 HN THR 49 3.275 -11.153 -11.153
332 HA THR 49 HA THR 49 3.635 -10.473 -10.473
333 HB THR 49 HB THR 49 2.418 -12.715 -12.715
334 HG1 THR 49 HG1 THR 49 1.417 -12.611 -12.611
335 1HG2 THR 49 HG23 THR 49 1.308 -10.287 -10.287
336 2HG2 THR 49 HG22 THR 49 0.261 -11.668 -11.668
337 3HG2 THR 49 HG21 THR 49 1.060 -10.837 -10.837
338 H ILE 50 HN ILE 50 5.880 -10.693 -10.693
339 HA ILE 50 HA ILE 50 6.958 -13.432 -13.432
340 HB ILE 50 HB ILE 50 8.509 -10.831 -10.831
341 1HG1 ILE 50 HG12 ILE 50 8.168 -12.531 -12.531
342 2HG1 ILE 50 HG11 ILE 50 6.998 -11.270 -11.270
343 1HG2 ILE 50 HG22 ILE 50 9.316 -13.672 -13.672
344 2HG2 ILE 50 HG21 ILE 50 10.371 -12.265 -12.265
345 3HG2 ILE 50 HG23 ILE 50 9.785 -12.775 -12.775
346 1HD1 ILE 50 HD11 ILE 50 8.987 -9.680 -9.680
347 2HD1 ILE 50 HD13 ILE 50 9.958 -10.951 -10.951
348 3HD1 ILE 50 HD12 ILE 50 8.615 -10.233 -10.233
349 H ASP 51 HN ASP 51 8.083 -14.379 -14.379
350 HA ASP 51 HA ASP 51 7.669 -12.966 -12.966
351 1HB ASP 51 HB2 ASP 51 7.715 -15.886 -15.886
352 2HB ASP 51 HB1 ASP 51 7.965 -15.372 -15.372
353 H VAL 52 HN VAL 52 9.403 -13.132 -13.132
354 HA VAL 52 HA VAL 52 12.008 -14.023 -14.023
355 HB VAL 52 HB VAL 52 13.048 -11.924 -11.924
356 1HG1 VAL 52 HG12 VAL 52 12.162 -12.345 -12.345
357 2HG1 VAL 52 HG11 VAL 52 10.945 -11.145 -11.145
358 3HG1 VAL 52 HG13 VAL 52 12.655 -10.718 -10.718
359 1HG2 VAL 52 HG23 VAL 52 10.159 -11.343 -11.343
360 2HG2 VAL 52 HG22 VAL 52 11.583 -10.977 -10.977
361 3HG2 VAL 52 HG21 VAL 52 11.217 -10.007 -10.007
362 HA PRO 53 HA PRO 53 11.640 -15.412 -15.412
363 1HB PRO 53 HB2 PRO 53 12.336 -18.028 -18.028
364 2HB PRO 53 HB1 PRO 53 10.678 -17.406 -17.406
365 1HG PRO 53 HG2 PRO 53 12.174 -18.335 -18.335
366 2HG PRO 53 HG1 PRO 53 10.521 -17.700 -17.700
367 1HD PRO 53 HD2 PRO 53 13.038 -16.327 -16.327
368 2HD PRO 53 HD1 PRO 53 11.365 -15.941 -15.941
369 HA PRO 54 HA PRO 54 16.048 -15.751 -15.751
370 1HB PRO 54 HB2 PRO 54 15.945 -17.132 -17.132
371 2HB PRO 54 HB1 PRO 54 15.590 -15.408 -15.408
372 1HG PRO 54 HG2 PRO 54 13.790 -17.509 -17.509
373 2HG PRO 54 HG1 PRO 54 13.436 -15.786 -15.786
374 1HD PRO 54 HD2 PRO 54 12.995 -18.021 -18.021
375 2HD PRO 54 HD1 PRO 54 12.194 -16.437 -16.437
376 H GLU 55 HN GLU 55 14.289 -18.557 -18.557
377 HA GLU 55 HA GLU 55 16.728 -20.239 -20.239
378 1HB GLU 55 HB2 GLU 55 13.794 -20.857 -20.857
379 2HB GLU 55 HB1 GLU 55 14.910 -22.102 -22.102
380 1HG GLU 55 HG2 GLU 55 16.319 -21.551 -21.551
381 2HG GLU 55 HG1 GLU 55 14.911 -20.661 -20.661
382 H GLU 56 HN GLU 56 17.732 -20.376 -20.376
383 HA GLU 56 HA GLU 56 16.195 -19.918 -19.918
384 1HB GLU 56 HB2 GLU 56 18.652 -19.141 -19.141
385 2HB GLU 56 HB1 GLU 56 19.074 -20.751 -20.751
386 1HG GLU 56 HG2 GLU 56 19.176 -19.501 -19.501
387 2HG GLU 56 HG1 GLU 56 17.524 -20.117 -20.117
388 H GLU 57 HN GLU 57 15.029 -21.657 -21.657
389 HA GLU 57 HA GLU 57 16.473 -24.214 -24.214
390 1HB GLU 57 HB2 GLU 57 14.771 -23.947 -23.947
391 2HB GLU 57 HB1 GLU 57 13.613 -24.376 -24.376
392 1HG GLU 57 HG2 GLU 57 15.104 -26.330 -26.330
393 2HG GLU 57 HG1 GLU 57 16.057 -25.952 -25.952
394 H SER 58 HN SER 58 14.993 -25.752 -25.752
395 HA SER 58 HA SER 58 14.331 -24.247 -24.247
396 1HB SER 58 HB2 SER 58 13.747 -27.171 -27.171
397 2HB SER 58 HB1 SER 58 14.223 -26.325 -26.325
398 HG SER 58 HG SER 58 15.904 -27.592 -27.592
399 H GLU 59 HN GLU 59 12.359 -23.283 -23.283
400 HA GLU 59 HA GLU 59 9.964 -24.790 -24.790
401 1HB GLU 59 HB2 GLU 59 9.022 -22.747 -22.747
402 2HB GLU 59 HB1 GLU 59 10.411 -23.415 -23.415
403 1HG GLU 59 HG2 GLU 59 11.885 -21.767 -21.767
404 2HG GLU 59 HG1 GLU 59 10.484 -21.085 -21.085
405 H PHE 60 HN PHE 60 7.981 -23.873 -23.873
406 HA PHE 60 HA PHE 60 8.527 -22.986 -22.986
407 1HB PHE 60 HB2 PHE 60 6.068 -23.603 -23.603
408 2HB PHE 60 HB1 PHE 60 5.905 -22.729 -22.729
409 HD1 PHE 60 HD2 PHE 60 6.644 -23.759 -23.759
410 HD2 PHE 60 HD1 PHE 60 6.726 -25.926 -25.926
411 HE1 PHE 60 HE2 PHE 60 6.884 -25.887 -25.887
412 HE2 PHE 60 HE1 PHE 60 6.965 -28.055 -28.055
413 HZ PHE 60 HZ PHE 60 7.043 -28.036 -28.036
Start of MODEL 15
1 1H GLU 1 HT3 GLU 1 12.470 -9.564 -9.564
2 2H GLU 1 HT2 GLU 1 12.546 -9.356 -9.356
3 3H GLU 1 HT1 GLU 1 11.587 -8.320 -8.320
4 HA GLU 1 HA GLU 1 13.362 -6.996 -6.996
5 1HB GLU 1 HB2 GLU 1 14.546 -8.761 -8.761
6 2HB GLU 1 HB1 GLU 1 15.152 -9.435 -9.435
7 1HG GLU 1 HG2 GLU 1 16.064 -7.100 -7.100
8 2HG GLU 1 HG1 GLU 1 15.720 -6.708 -6.708
9 H ALA 2 HN ALA 2 13.385 -9.712 -9.712
10 HA ALA 2 HA ALA 2 13.782 -7.830 -7.830
11 1HB ALA 2 HB2 ALA 2 15.818 -9.938 -9.938
12 2HB ALA 2 HB1 ALA 2 15.680 -9.302 -9.302
13 3HB ALA 2 HB3 ALA 2 16.087 -8.221 -8.221
14 H GLN 3 HN GLN 3 11.863 -10.000 -10.000
15 HA GLN 3 HA GLN 3 11.362 -11.239 -11.239
16 1HB GLN 3 HB2 GLN 3 11.963 -12.712 -12.712
17 2HB GLN 3 HB1 GLN 3 10.878 -13.421 -13.421
18 1HG GLN 3 HG2 GLN 3 13.640 -12.392 -12.392
19 2HG GLN 3 HG1 GLN 3 13.321 -14.070 -14.070
20 1HE2 GLN 3 HE22 GLN 3 12.764 -13.053 -13.053
21 2HE2 GLN 3 HE21 GLN 3 13.774 -12.242 -12.242
22 H THR 4 HN THR 4 9.434 -10.019 -10.019
23 HA THR 4 HA THR 4 7.189 -11.021 -11.021
24 HB THR 4 HB THR 4 6.605 -8.494 -8.494
25 HG1 THR 4 HG1 THR 4 9.022 -8.282 -8.282
26 1HG2 THR 4 HG23 THR 4 7.168 -10.581 -10.581
27 2HG2 THR 4 HG22 THR 4 8.681 -9.715 -9.715
28 3HG2 THR 4 HG21 THR 4 7.145 -8.962 -8.962
29 H GLU 5 HN GLU 5 5.324 -9.020 -9.020
30 HA GLU 5 HA GLU 5 5.343 -9.169 -9.169
31 1HB GLU 5 HB2 GLU 5 3.040 -8.570 -8.570
32 2HB GLU 5 HB1 GLU 5 2.931 -8.867 -8.867
33 1HG GLU 5 HG2 GLU 5 3.731 -11.149 -11.149
34 2HG GLU 5 HG1 GLU 5 3.985 -10.870 -10.870
35 H THR 6 HN THR 6 5.485 -7.291 -7.291
36 HA THR 6 HA THR 6 4.773 -4.738 -4.738
37 HB THR 6 HB THR 6 7.472 -4.939 -4.939
38 HG1 THR 6 HG1 THR 6 8.285 -5.875 -5.875
39 1HG2 THR 6 HG23 THR 6 6.159 -3.131 -3.131
40 2HG2 THR 6 HG22 THR 6 7.870 -3.038 -3.038
41 3HG2 THR 6 HG21 THR 6 6.643 -2.717 -2.717
42 H CYS 7 HN CYS 7 4.237 -3.139 -3.139
43 HA CYS 7 HA CYS 7 3.773 -4.209 -4.209
44 1HB CYS 7 HB2 CYS 7 3.080 -1.528 -1.528
45 2HB CYS 7 HB1 CYS 7 2.558 -2.075 -2.075
46 H THR 8 HN THR 8 6.511 -3.160 -3.160
47 HA THR 8 HA THR 8 7.216 -1.077 -1.077
48 HB THR 8 HB THR 8 8.137 -0.952 -0.952
49 HG1 THR 8 HG1 THR 8 10.158 -0.528 -0.528
50 1HG2 THR 8 HG23 THR 8 8.210 -3.673 -3.673
51 2HG2 THR 8 HG22 THR 8 9.909 -3.296 -3.296
52 3HG2 THR 8 HG21 THR 8 9.107 -2.701 -2.701
53 H VAL 9 HN VAL 9 7.805 -1.602 -1.602
54 HA VAL 9 HA VAL 9 9.497 -3.988 -3.988
55 HB VAL 9 HB VAL 9 7.076 -3.360 -3.360
56 1HG1 VAL 9 HG11 VAL 9 9.244 -5.451 -5.451
57 2HG1 VAL 9 HG13 VAL 9 7.660 -5.792 -5.792
58 3HG1 VAL 9 HG12 VAL 9 8.632 -4.464 -4.464
59 1HG2 VAL 9 HG21 VAL 9 7.535 -5.458 -5.458
60 2HG2 VAL 9 HG23 VAL 9 6.311 -4.189 -4.189
61 3HG2 VAL 9 HG22 VAL 9 6.204 -5.513 -5.513
62 H ALA 10 HN ALA 10 10.461 -3.931 -3.931
63 HA ALA 10 HA ALA 10 11.403 -1.218 -1.218
64 1HB ALA 10 HB2 ALA 10 12.092 -3.915 -3.915
65 2HB ALA 10 HB1 ALA 10 12.773 -2.414 -2.414
66 3HB ALA 10 HB3 ALA 10 13.088 -2.896 -2.896
67 HA PRO 11 HA PRO 11 8.523 0.289 0.289
68 1HB PRO 11 HB2 PRO 11 10.816 0.739 0.739
69 2HB PRO 11 HB1 PRO 11 9.685 1.908 1.908
70 1HG PRO 11 HG2 PRO 11 12.336 1.263 1.263
71 2HG PRO 11 HG1 PRO 11 11.221 2.466 2.466
72 1HD PRO 11 HD2 PRO 11 12.024 0.173 0.173
73 2HD PRO 11 HD1 PRO 11 10.542 1.083 1.083
74 H ARG 12 HN ARG 12 11.192 -1.833 -1.833
75 HA ARG 12 HA ARG 12 9.619 -2.714 -2.714
76 1HB ARG 12 HB2 ARG 12 12.263 -3.757 -3.757
77 2HB ARG 12 HB1 ARG 12 11.567 -4.079 -4.079
78 1HG ARG 12 HG2 ARG 12 11.529 -1.457 -1.457
79 2HG ARG 12 HG1 ARG 12 12.758 -1.535 -1.535
80 1HD ARG 12 HD2 ARG 12 13.857 -3.338 -3.338
81 2HD ARG 12 HD1 ARG 12 12.864 -2.599 -2.599
82 HE ARG 12 HE ARG 12 14.230 -0.704 -0.704
83 1HH1 ARG 12 HH11 ARG 12 14.795 -2.799 -2.799
84 2HH1 ARG 12 HH12 ARG 12 16.188 -1.928 -1.928
85 1HH2 ARG 12 HH21 ARG 12 16.059 0.423 0.423
86 2HH2 ARG 12 HH22 ARG 12 16.900 -0.112 -0.112
87 H GLU 13 HN GLU 13 10.877 -4.152 -4.152
88 HA GLU 13 HA GLU 13 9.676 -6.703 -6.703
89 1HB GLU 13 HB2 GLU 13 10.417 -5.371 -5.371
90 2HB GLU 13 HB1 GLU 13 10.154 -7.097 -7.097
91 1HG GLU 13 HG2 GLU 13 12.261 -5.485 -5.485
92 2HG GLU 13 HG1 GLU 13 12.582 -6.421 -6.421
93 H ARG 14 HN ARG 14 8.219 -3.709 -3.709
94 HA ARG 14 HA ARG 14 6.139 -4.478 -4.478
95 1HB ARG 14 HB2 ARG 14 6.576 -2.211 -2.211
96 2HB ARG 14 HB1 ARG 14 4.981 -2.450 -2.450
97 1HG ARG 14 HG2 ARG 14 5.996 -2.404 -2.404
98 2HG ARG 14 HG1 ARG 14 7.579 -2.130 -2.130
99 1HD ARG 14 HD2 ARG 14 6.597 -0.070 -0.070
100 2HD ARG 14 HD1 ARG 14 5.170 -0.301 -0.301
101 HE ARG 14 HE ARG 14 7.548 -0.304 -0.304
102 1HH1 ARG 14 HH11 ARG 14 5.361 1.760 1.760
103 2HH1 ARG 14 HH12 ARG 14 5.677 3.152 3.152
104 1HH2 ARG 14 HH21 ARG 14 7.949 1.533 1.533
105 2HH2 ARG 14 HH22 ARG 14 7.136 3.024 3.024
106 H GLN 15 HN GLN 15 4.382 -5.753 -5.753
107 HA GLN 15 HA GLN 15 3.927 -6.628 -6.628
108 1HB GLN 15 HB2 GLN 15 2.458 -7.393 -7.393
109 2HB GLN 15 HB1 GLN 15 2.385 -8.231 -8.231
110 1HG GLN 15 HG2 GLN 15 4.906 -7.878 -7.878
111 2HG GLN 15 HG1 GLN 15 3.929 -9.345 -9.345
112 1HE2 GLN 15 HE22 GLN 15 5.412 -10.505 -10.505
113 2HE2 GLN 15 HE21 GLN 15 4.462 -10.846 -10.846
114 H ASN 16 HN ASN 16 2.478 -5.615 -5.615
115 HA ASN 16 HA ASN 16 0.897 -3.429 -3.429
116 1HB ASN 16 HB2 ASN 16 1.754 -3.971 -3.971
117 2HB ASN 16 HB1 ASN 16 0.330 -5.005 -5.005
118 1HD2 ASN 16 HD22 ASN 16 -1.095 -1.938 -1.938
119 2HD2 ASN 16 HD21 ASN 16 -0.303 -3.353 -3.353
120 H CYS 17 HN CYS 17 -0.813 -3.692 -3.692
121 HA CYS 17 HA CYS 17 -2.346 -6.167 -6.167
122 1HB CYS 17 HB2 CYS 17 -1.803 -4.856 -4.856
123 2HB CYS 17 HB1 CYS 17 -2.868 -3.581 -3.581
124 H GLY 18 HN GLY 18 -2.473 -3.125 -3.125
125 1HA GLY 18 HA2 GLY 18 -4.608 -3.789 -3.789
126 2HA GLY 18 HA1 GLY 18 -5.289 -2.860 -2.860
127 H PHE 19 HN PHE 19 -5.607 -1.545 -1.545
128 HA PHE 19 HA PHE 19 -3.366 -0.051 -0.051
129 1HB PHE 19 HB2 PHE 19 -5.174 1.533 1.533
130 2HB PHE 19 HB1 PHE 19 -5.235 -0.129 -0.129
131 HD1 PHE 19 HD2 PHE 19 -6.865 -1.749 -1.749
132 HD2 PHE 19 HD1 PHE 19 -6.985 2.483 2.483
133 HE1 PHE 19 HE2 PHE 19 -9.193 -1.960 -1.960
134 HE2 PHE 19 HE1 PHE 19 -9.320 2.269 2.269
135 HZ PHE 19 HZ PHE 19 -10.420 0.050 0.050
136 HA PRO 20 HA PRO 20 -3.033 3.115 3.115
137 1HB PRO 20 HB2 PRO 20 -2.428 5.317 5.317
138 2HB PRO 20 HB1 PRO 20 -1.282 4.086 4.086
139 1HG PRO 20 HG2 PRO 20 -2.217 4.583 4.583
140 2HG PRO 20 HG1 PRO 20 -1.045 3.377 3.377
141 1HD PRO 20 HD2 PRO 20 -3.864 3.020 3.020
142 2HD PRO 20 HD1 PRO 20 -2.593 1.798 1.798
143 H GLY 21 HN GLY 21 -5.197 3.915 3.915
144 1HA GLY 21 HA2 GLY 21 -6.376 6.244 6.244
145 2HA GLY 21 HA1 GLY 21 -7.167 5.130 5.130
146 H VAL 22 HN VAL 22 -6.399 3.079 3.079
147 HA VAL 22 HA VAL 22 -9.029 2.865 2.865
148 HB VAL 22 HB VAL 22 -7.968 1.399 1.399
149 1HG1 VAL 22 HG12 VAL 22 -8.592 0.606 0.606
150 2HG1 VAL 22 HG11 VAL 22 -6.916 0.875 0.875
151 3HG1 VAL 22 HG13 VAL 22 -7.298 -0.320 -0.320
152 1HG2 VAL 22 HG22 VAL 22 -5.477 2.492 2.492
153 2HG2 VAL 22 HG21 VAL 22 -5.863 2.411 2.411
154 3HG2 VAL 22 HG23 VAL 22 -5.471 0.938 0.938
155 H THR 23 HN THR 23 -9.311 2.895 2.895
156 HA THR 23 HA THR 23 -8.042 5.320 5.320
157 HB THR 23 HB THR 23 -10.325 5.982 5.982
158 HG1 THR 23 HG1 THR 23 -12.061 4.953 4.953
159 1HG2 THR 23 HG22 THR 23 -9.779 5.923 5.923
160 2HG2 THR 23 HG21 THR 23 -11.101 6.848 6.848
161 3HG2 THR 23 HG23 THR 23 -9.431 7.229 7.229
162 HA PRO 24 HA PRO 24 -7.350 3.391 3.391
163 1HB PRO 24 HB2 PRO 24 -9.421 5.025 5.025
164 2HB PRO 24 HB1 PRO 24 -7.674 4.991 4.991
165 1HG PRO 24 HG2 PRO 24 -9.198 6.873 6.873
166 2HG PRO 24 HG1 PRO 24 -7.467 6.887 6.887
167 1HD PRO 24 HD2 PRO 24 -8.519 6.483 6.483
168 2HD PRO 24 HD1 PRO 24 -6.910 5.933 5.933
169 H SER 25 HN SER 25 -10.729 3.867 3.867
170 HA SER 25 HA SER 25 -11.838 1.927 1.927
171 1HB SER 25 HB2 SER 25 -13.065 2.695 2.695
172 2HB SER 25 HB1 SER 25 -13.870 2.291 2.291
173 HG SER 25 HG SER 25 -13.890 4.378 4.378
174 H GLN 26 HN GLN 26 -11.089 1.841 1.841
175 HA GLN 26 HA GLN 26 -11.733 -0.895 -0.895
176 1HB GLN 26 HB2 GLN 26 -9.836 0.925 0.925
177 2HB GLN 26 HB1 GLN 26 -10.264 -0.701 -0.701
178 1HG GLN 26 HG2 GLN 26 -12.685 -0.006 -0.006
179 2HG GLN 26 HG1 GLN 26 -12.147 1.643 1.643
180 1HE2 GLN 26 HE22 GLN 26 -11.230 2.282 2.282
181 2HE2 GLN 26 HE21 GLN 26 -11.310 2.874 2.874
182 H CYS 27 HN CYS 27 -8.594 0.728 0.728
183 HA CYS 27 HA CYS 27 -7.053 -1.660 -1.660
184 1HB CYS 27 HB2 CYS 27 -6.301 0.843 0.843
185 2HB CYS 27 HB1 CYS 27 -6.401 0.718 0.718
186 H ALA 28 HN ALA 28 -9.227 -0.223 -0.223
187 HA ALA 28 HA ALA 28 -8.188 -1.934 -1.934
188 1HB ALA 28 HB2 ALA 28 -8.847 0.445 0.445
189 2HB ALA 28 HB1 ALA 28 -10.509 0.016 0.016
190 3HB ALA 28 HB3 ALA 28 -9.720 -0.722 -0.722
191 H ASN 29 HN ASN 29 -10.405 -2.180 -2.180
192 HA ASN 29 HA ASN 29 -12.486 -3.644 -3.644
193 1HB ASN 29 HB2 ASN 29 -12.777 -2.471 -2.471
194 2HB ASN 29 HB1 ASN 29 -11.731 -3.686 -3.686
195 1HD2 ASN 29 HD22 ASN 29 -15.610 -4.559 -4.559
196 2HD2 ASN 29 HD21 ASN 29 -14.980 -2.997 -2.997
197 H LYS 30 HN LYS 30 -9.512 -4.523 -4.523
198 HA LYS 30 HA LYS 30 -10.052 -7.371 -7.371
199 1HB LYS 30 HB2 LYS 30 -9.104 -6.469 -6.469
200 2HB LYS 30 HB1 LYS 30 -7.613 -6.144 -6.144
201 1HG LYS 30 HG2 LYS 30 -7.141 -8.390 -8.390
202 2HG LYS 30 HG1 LYS 30 -8.837 -8.865 -8.865
203 1HD LYS 30 HD2 LYS 30 -7.616 -7.671 -7.671
204 2HD LYS 30 HD1 LYS 30 -7.178 -9.328 -9.328
205 1HE LYS 30 HE2 LYS 30 -9.084 -9.620 -9.620
206 2HE LYS 30 HE1 LYS 30 -9.742 -9.683 -9.683
207 1HZ LYS 30 HZ3 LYS 30 -9.527 -7.064 -7.064
208 2HZ LYS 30 HZ2 LYS 30 -10.655 -8.102 -8.102
209 3HZ LYS 30 HZ1 LYS 30 -10.770 -7.748 -7.748
210 H GLY 31 HN GLY 31 -7.782 -4.794 -4.794
211 1HA GLY 31 HA2 GLY 31 -7.013 -4.859 -4.859
212 2HA GLY 31 HA1 GLY 31 -6.853 -6.606 -6.606
213 H CYS 32 HN CYS 32 -5.868 -4.140 -4.140
214 HA CYS 32 HA CYS 32 -3.142 -5.258 -5.258
215 1HB CYS 32 HB2 CYS 32 -4.750 -3.802 -3.802
216 2HB CYS 32 HB1 CYS 32 -3.001 -3.591 -3.591
217 H CYS 33 HN CYS 33 -1.323 -3.929 -3.929
218 HA CYS 33 HA CYS 33 -1.795 -1.699 -1.699
219 1HB CYS 33 HB2 CYS 33 0.781 -2.481 -2.481
220 2HB CYS 33 HB1 CYS 33 0.631 -1.464 -1.464
221 H PHE 34 HN PHE 34 -2.362 0.337 0.337
222 HA PHE 34 HA PHE 34 -1.884 1.120 1.120
223 1HB PHE 34 HB2 PHE 34 -4.106 1.486 1.486
224 2HB PHE 34 HB1 PHE 34 -3.304 2.659 2.659
225 HD1 PHE 34 HD2 PHE 34 -2.344 4.740 4.740
226 HD2 PHE 34 HD1 PHE 34 -4.575 1.973 1.973
227 HE1 PHE 34 HE2 PHE 34 -2.597 6.473 6.473
228 HE2 PHE 34 HE1 PHE 34 -4.828 3.704 3.704
229 HZ PHE 34 HZ PHE 34 -3.839 5.954 5.954
230 H ASP 35 HN ASP 35 -0.608 2.964 2.964
231 HA ASP 35 HA ASP 35 0.662 4.560 4.560
232 1HB ASP 35 HB2 ASP 35 1.965 2.354 2.354
233 2HB ASP 35 HB1 ASP 35 2.470 2.837 2.837
234 H ASP 36 HN ASP 36 0.365 6.525 6.525
235 HA ASP 36 HA ASP 36 0.983 6.690 6.690
236 1HB ASP 36 HB2 ASP 36 -0.379 8.830 8.830
237 2HB ASP 36 HB1 ASP 36 -1.293 7.346 7.346
238 H THR 37 HN THR 37 3.322 6.756 6.756
239 HA THR 37 HA THR 37 3.977 9.504 9.504
240 HB THR 37 HB THR 37 6.218 8.339 8.339
241 HG1 THR 37 HG1 THR 37 6.166 6.184 6.184
242 1HG2 THR 37 HG23 THR 37 3.579 8.062 8.062
243 2HG2 THR 37 HG22 THR 37 5.002 7.287 7.287
244 3HG2 THR 37 HG21 THR 37 4.982 9.032 9.032
245 H VAL 38 HN VAL 38 5.281 6.837 6.837
246 HA VAL 38 HA VAL 38 6.757 8.856 8.856
247 HB VAL 38 HB VAL 38 6.796 5.832 5.832
248 1HG1 VAL 38 HG11 VAL 38 8.551 8.049 8.049
249 2HG1 VAL 38 HG13 VAL 38 9.018 6.347 6.347
250 3HG1 VAL 38 HG12 VAL 38 7.606 6.880 6.880
251 1HG2 VAL 38 HG21 VAL 38 8.341 7.780 7.780
252 2HG2 VAL 38 HG23 VAL 38 7.661 6.216 6.216
253 3HG2 VAL 38 HG22 VAL 38 9.112 6.293 6.293
254 H ARG 39 HN ARG 39 6.611 8.783 8.783
255 HA ARG 39 HA ARG 39 3.852 8.122 8.122
256 1HB ARG 39 HB2 ARG 39 5.938 10.026 10.026
257 2HB ARG 39 HB1 ARG 39 4.450 9.637 9.637
258 1HG ARG 39 HG2 ARG 39 4.135 10.415 10.415
259 2HG ARG 39 HG1 ARG 39 4.637 11.697 11.697
260 1HD ARG 39 HD2 ARG 39 2.429 9.947 9.947
261 2HD ARG 39 HD1 ARG 39 2.046 11.033 11.033
262 HE ARG 39 HE ARG 39 3.385 12.182 12.182
263 1HH1 ARG 39 HH21 ARG 39 0.516 11.733 11.733
264 2HH1 ARG 39 HH22 ARG 39 -0.332 13.064 13.064
265 1HH2 ARG 39 HH11 ARG 39 2.255 13.921 13.921
266 2HH2 ARG 39 HH12 ARG 39 0.650 14.295 14.295
267 H GLY 40 HN GLY 40 3.722 7.402 7.402
268 1HA GLY 40 HA2 GLY 40 4.444 6.043 6.043
269 2HA GLY 40 HA1 GLY 40 6.055 6.024 6.024
270 H VAL 41 HN VAL 41 5.419 5.088 5.088
271 HA VAL 41 HA VAL 41 5.051 2.267 2.267
272 HB VAL 41 HB VAL 41 5.432 2.027 2.027
273 1HG1 VAL 41 HG13 VAL 41 7.302 3.635 3.635
274 2HG1 VAL 41 HG12 VAL 41 7.751 3.212 3.212
275 3HG1 VAL 41 HG11 VAL 41 7.419 1.940 1.940
276 1HG2 VAL 41 HG23 VAL 41 5.614 5.056 5.056
277 2HG2 VAL 41 HG22 VAL 41 4.370 4.133 4.133
278 3HG2 VAL 41 HG21 VAL 41 6.042 4.074 4.074
279 HA PRO 42 HA PRO 42 0.785 2.024 2.024
280 1HB PRO 42 HB2 PRO 42 0.816 -0.521 -0.521
281 2HB PRO 42 HB1 PRO 42 0.704 -0.169 -0.169
282 1HG PRO 42 HG2 PRO 42 2.851 -1.414 -1.414
283 2HG PRO 42 HG1 PRO 42 2.757 -1.011 -1.011
284 1HD PRO 42 HD2 PRO 42 4.132 0.431 0.431
285 2HD PRO 42 HD1 PRO 42 4.429 0.481 0.481
286 H TRP 43 HN TRP 43 -0.380 2.785 2.785
287 HA TRP 43 HA TRP 43 0.968 3.018 3.018
288 1HB TRP 43 HB2 TRP 43 -1.881 3.742 3.742
289 2HB TRP 43 HB1 TRP 43 -0.986 4.300 4.300
290 HD1 TRP 43 HD1 TRP 43 1.785 4.911 4.911
291 HE1 TRP 43 HE1 TRP 43 1.930 6.991 6.991
292 HE3 TRP 43 HE3 TRP 43 -3.182 5.701 5.701
293 HZ2 TRP 43 HZ2 TRP 43 0.174 8.755 8.755
294 HZ3 TRP 43 HZ3 TRP 43 -3.916 7.588 7.588
295 HH2 TRP 43 HH2 TRP 43 -2.246 9.115 9.115
296 H CYS 44 HN CYS 44 -1.797 1.161 1.161
297 HA CYS 44 HA CYS 44 -2.207 -0.112 -0.112
298 1HB CYS 44 HB2 CYS 44 -4.098 0.550 0.550
299 2HB CYS 44 HB1 CYS 44 -3.572 -0.777 -0.777
300 H PHE 45 HN PHE 45 -0.660 -1.661 -1.661
301 HA PHE 45 HA PHE 45 -0.179 -3.720 -3.720
302 1HB PHE 45 HB2 PHE 45 2.191 -3.817 -3.817
303 2HB PHE 45 HB1 PHE 45 1.776 -2.200 -2.200
304 HD1 PHE 45 HD2 PHE 45 0.935 -0.562 -0.562
305 HD2 PHE 45 HD1 PHE 45 3.404 -4.018 -4.018
306 HE1 PHE 45 HE2 PHE 45 1.737 0.385 0.385
307 HE2 PHE 45 HE1 PHE 45 4.212 -3.074 -3.074
308 HZ PHE 45 HZ PHE 45 3.379 -0.870 -0.870
309 H TYR 46 HN TYR 46 1.028 -5.685 -5.685
310 HA TYR 46 HA TYR 46 -0.704 -6.422 -6.422
311 1HB TYR 46 HB2 TYR 46 1.286 -7.857 -7.857
312 2HB TYR 46 HB1 TYR 46 0.737 -8.593 -8.593
313 HD1 TYR 46 HD1 TYR 46 -1.770 -8.875 -8.875
314 HD2 TYR 46 HD2 TYR 46 -0.081 -7.874 -7.874
315 HE1 TYR 46 HE1 TYR 46 -3.866 -9.594 -9.594
316 HE2 TYR 46 HE2 TYR 46 -2.175 -8.592 -8.592
317 HH TYR 46 HH TYR 46 -4.961 -9.756 -9.756
318 HA PRO 47 HA PRO 47 2.452 -5.940 -5.940
319 1HB PRO 47 HB2 PRO 47 1.648 -7.946 -7.946
320 2HB PRO 47 HB1 PRO 47 0.856 -6.371 -6.371
321 1HG PRO 47 HG2 PRO 47 -0.183 -8.941 -8.941
322 2HG PRO 47 HG1 PRO 47 -0.966 -7.362 -7.362
323 1HD PRO 47 HD2 PRO 47 0.423 -8.988 -8.988
324 2HD PRO 47 HD1 PRO 47 -0.801 -7.718 -7.718
325 H ASN 48 HN ASN 48 4.035 -7.344 -7.344
326 HA ASN 48 HA ASN 48 5.098 -9.567 -9.567
327 1HB ASN 48 HB2 ASN 48 6.424 -7.182 -7.182
328 2HB ASN 48 HB1 ASN 48 7.310 -8.704 -8.704
329 1HD2 ASN 48 HD22 ASN 48 8.419 -8.124 -8.124
330 2HD2 ASN 48 HD21 ASN 48 8.835 -8.447 -8.447
331 H THR 49 HN THR 49 4.320 -11.313 -11.313
332 HA THR 49 HA THR 49 4.869 -11.269 -11.269
333 HB THR 49 HB THR 49 3.283 -13.193 -13.193
334 HG1 THR 49 HG1 THR 49 2.993 -12.572 -12.572
335 1HG2 THR 49 HG21 THR 49 2.676 -10.602 -10.602
336 2HG2 THR 49 HG23 THR 49 1.861 -11.059 -11.059
337 3HG2 THR 49 HG22 THR 49 1.415 -11.835 -11.835
338 H ILE 50 HN ILE 50 7.106 -11.852 -11.852
339 HA ILE 50 HA ILE 50 7.675 -14.502 -14.502
340 HB ILE 50 HB ILE 50 9.627 -12.315 -12.315
341 1HG1 ILE 50 HG12 ILE 50 8.775 -13.133 -13.133
342 2HG1 ILE 50 HG11 ILE 50 8.014 -11.799 -11.799
343 1HG2 ILE 50 HG21 ILE 50 10.306 -14.832 -14.832
344 2HG2 ILE 50 HG23 ILE 50 10.132 -14.633 -14.633
345 3HG2 ILE 50 HG22 ILE 50 11.299 -13.653 -13.653
346 1HD1 ILE 50 HD12 ILE 50 10.533 -11.044 -11.044
347 2HD1 ILE 50 HD11 ILE 50 10.798 -12.014 -12.014
348 3HD1 ILE 50 HD13 ILE 50 9.682 -10.649 -10.649
349 H ASP 51 HN ASP 51 8.556 -16.128 -16.128
350 HA ASP 51 HA ASP 51 9.409 -15.481 -15.481
351 1HB ASP 51 HB2 ASP 51 6.833 -16.899 -16.899
352 2HB ASP 51 HB1 ASP 51 7.737 -17.327 -17.327
353 H VAL 52 HN VAL 52 11.078 -16.851 -16.851
354 HA VAL 52 HA VAL 52 11.055 -19.592 -19.592
355 HB VAL 52 HB VAL 52 13.368 -19.337 -19.337
356 1HG1 VAL 52 HG13 VAL 52 11.243 -19.167 -19.167
357 2HG1 VAL 52 HG12 VAL 52 11.433 -17.417 -17.417
358 3HG1 VAL 52 HG11 VAL 52 12.668 -18.403 -18.403
359 1HG2 VAL 52 HG21 VAL 52 12.848 -16.516 -16.516
360 2HG2 VAL 52 HG23 VAL 52 14.341 -17.450 -17.450
361 3HG2 VAL 52 HG22 VAL 52 13.790 -16.776 -16.776
362 HA PRO 53 HA PRO 53 12.089 -19.190 -19.190
363 1HB PRO 53 HB2 PRO 53 11.946 -22.108 -22.108
364 2HB PRO 53 HB1 PRO 53 11.043 -21.041 -21.041
365 1HG PRO 53 HG2 PRO 53 10.191 -22.195 -22.195
366 2HG PRO 53 HG1 PRO 53 9.269 -21.179 -21.179
367 1HD PRO 53 HD2 PRO 53 10.045 -20.411 -20.411
368 2HD PRO 53 HD1 PRO 53 9.631 -19.288 -19.288
369 HA PRO 54 HA PRO 54 15.993 -21.831 -21.831
370 1HB PRO 54 HB2 PRO 54 16.016 -23.284 -23.284
371 2HB PRO 54 HB1 PRO 54 15.471 -23.902 -23.902
372 1HG PRO 54 HG2 PRO 54 13.907 -23.434 -23.434
373 2HG PRO 54 HG1 PRO 54 13.361 -24.013 -24.013
374 1HD PRO 54 HD2 PRO 54 13.236 -21.282 -21.282
375 2HD PRO 54 HD1 PRO 54 12.242 -22.025 -22.025
376 H GLU 55 HN GLU 55 17.616 -22.252 -22.252
377 HA GLU 55 HA GLU 55 18.323 -19.555 -19.555
378 1HB GLU 55 HB2 GLU 55 19.959 -20.647 -20.647
379 2HB GLU 55 HB1 GLU 55 20.037 -21.279 -21.279
380 1HG GLU 55 HG2 GLU 55 18.153 -22.645 -22.645
381 2HG GLU 55 HG1 GLU 55 19.874 -22.883 -22.883
382 H GLU 56 HN GLU 56 18.461 -18.728 -18.728
383 HA GLU 56 HA GLU 56 15.915 -18.994 -18.994
384 1HB GLU 56 HB2 GLU 56 18.483 -17.658 -17.658
385 2HB GLU 56 HB1 GLU 56 16.921 -17.479 -17.479
386 1HG GLU 56 HG2 GLU 56 16.003 -16.677 -16.677
387 2HG GLU 56 HG1 GLU 56 17.671 -16.611 -16.611
388 H GLU 57 HN GLU 57 16.118 -19.260 -19.260
389 HA GLU 57 HA GLU 57 17.508 -21.850 -21.850
390 1HB GLU 57 HB2 GLU 57 15.829 -22.206 -22.206
391 2HB GLU 57 HB1 GLU 57 15.093 -22.050 -22.050
392 1HG GLU 57 HG2 GLU 57 15.458 -19.512 -19.512
393 2HG GLU 57 HG1 GLU 57 14.274 -20.629 -20.629
394 H SER 58 HN SER 58 18.597 -22.188 -22.188
395 HA SER 58 HA SER 58 19.546 -19.649 -19.649
396 1HB SER 58 HB2 SER 58 20.640 -22.423 -22.423
397 2HB SER 58 HB1 SER 58 21.439 -20.878 -20.878
398 HG SER 58 HG SER 58 21.824 -20.684 -20.684
399 H GLU 59 HN GLU 59 19.873 -19.652 -19.652
400 HA GLU 59 HA GLU 59 17.431 -20.578 -20.578
401 1HB GLU 59 HB2 GLU 59 19.752 -18.848 -18.848
402 2HB GLU 59 HB1 GLU 59 18.791 -19.567 -19.567
403 1HG GLU 59 HG2 GLU 59 17.616 -17.595 -17.595
404 2HG GLU 59 HG1 GLU 59 16.760 -18.687 -18.687
405 H PHE 60 HN PHE 60 17.398 -22.787 -22.787
406 HA PHE 60 HA PHE 60 19.841 -24.040 -24.040
407 1HB PHE 60 HB2 PHE 60 17.262 -25.212 -25.212
408 2HB PHE 60 HB1 PHE 60 18.586 -26.171 -26.171
409 HD1 PHE 60 HD2 PHE 60 21.007 -25.357 -25.357
410 HD2 PHE 60 HD1 PHE 60 17.220 -25.021 -25.021
411 HE1 PHE 60 HE2 PHE 60 22.170 -25.266 -25.266
412 HE2 PHE 60 HE1 PHE 60 18.383 -24.928 -24.928
413 HZ PHE 60 HZ PHE 60 20.859 -25.049 -25.049
Start of MODEL 16
1 1H GLU 1 HT3 GLU 1 6.435 -16.052 -16.052
2 2H GLU 1 HT2 GLU 1 5.842 -16.970 -16.970
3 3H GLU 1 HT1 GLU 1 7.198 -17.504 -17.504
4 HA GLU 1 HA GLU 1 8.597 -16.256 -16.256
5 1HB GLU 1 HB2 GLU 1 7.744 -15.610 -15.610
6 2HB GLU 1 HB1 GLU 1 7.356 -17.272 -17.272
7 1HG GLU 1 HG2 GLU 1 5.322 -15.315 -15.315
8 2HG GLU 1 HG1 GLU 1 5.527 -15.411 -15.411
9 H ALA 2 HN ALA 2 9.371 -14.111 -14.111
10 HA ALA 2 HA ALA 2 7.591 -12.000 -12.000
11 1HB ALA 2 HB2 ALA 2 9.774 -12.488 -12.488
12 2HB ALA 2 HB1 ALA 2 10.609 -11.927 -11.927
13 3HB ALA 2 HB3 ALA 2 9.584 -10.819 -10.819
14 H GLN 3 HN GLN 3 6.608 -11.906 -11.906
15 HA GLN 3 HA GLN 3 8.169 -10.041 -10.041
16 1HB GLN 3 HB2 GLN 3 7.181 -12.749 -12.749
17 2HB GLN 3 HB1 GLN 3 7.079 -11.449 -11.449
18 1HG GLN 3 HG2 GLN 3 9.218 -12.210 -12.210
19 2HG GLN 3 HG1 GLN 3 9.578 -11.001 -11.001
20 1HE2 GLN 3 HE22 GLN 3 11.221 -13.521 -13.521
21 2HE2 GLN 3 HE21 GLN 3 11.318 -11.994 -11.994
22 H THR 4 HN THR 4 6.638 -9.111 -9.111
23 HA THR 4 HA THR 4 3.809 -9.159 -9.159
24 HB THR 4 HB THR 4 3.988 -6.522 -6.522
25 HG1 THR 4 HG1 THR 4 6.410 -6.964 -6.964
26 1HG2 THR 4 HG21 THR 4 3.441 -8.150 -8.150
27 2HG2 THR 4 HG23 THR 4 5.028 -7.628 -7.628
28 3HG2 THR 4 HG22 THR 4 3.755 -6.438 -6.438
29 H GLU 5 HN GLU 5 2.588 -7.554 -7.554
30 HA GLU 5 HA GLU 5 3.505 -8.326 -8.326
31 1HB GLU 5 HB2 GLU 5 0.950 -7.141 -7.141
32 2HB GLU 5 HB1 GLU 5 1.255 -7.265 -7.265
33 1HG GLU 5 HG2 GLU 5 1.766 -9.744 -9.744
34 2HG GLU 5 HG1 GLU 5 1.040 -9.504 -9.504
35 H THR 6 HN THR 6 4.207 -6.850 -6.850
36 HA THR 6 HA THR 6 4.098 -3.980 -3.980
37 HB THR 6 HB THR 6 6.609 -5.023 -5.023
38 HG1 THR 6 HG1 THR 6 7.211 -6.037 -6.037
39 1HG2 THR 6 HG21 THR 6 6.155 -2.600 -2.600
40 2HG2 THR 6 HG23 THR 6 6.045 -2.914 -2.914
41 3HG2 THR 6 HG22 THR 6 7.571 -3.166 -3.166
42 H CYS 7 HN CYS 7 4.304 -2.576 -2.576
43 HA CYS 7 HA CYS 7 3.698 -4.028 -4.028
44 1HB CYS 7 HB2 CYS 7 2.866 -1.228 -1.228
45 2HB CYS 7 HB1 CYS 7 2.410 -2.059 -2.059
46 H THR 8 HN THR 8 6.381 -3.243 -3.243
47 HA THR 8 HA THR 8 7.194 -1.108 -1.108
48 HB THR 8 HB THR 8 8.030 -0.953 -0.953
49 HG1 THR 8 HG1 THR 8 10.340 -1.805 -1.805
50 1HG2 THR 8 HG23 THR 8 8.007 -3.651 -3.651
51 2HG2 THR 8 HG22 THR 8 9.720 -3.381 -3.381
52 3HG2 THR 8 HG21 THR 8 8.972 -2.690 -2.690
53 H VAL 9 HN VAL 9 7.995 -1.635 -1.635
54 HA VAL 9 HA VAL 9 9.581 -4.093 -4.093
55 HB VAL 9 HB VAL 9 7.203 -3.480 -3.480
56 1HG1 VAL 9 HG11 VAL 9 9.380 -5.551 -5.551
57 2HG1 VAL 9 HG13 VAL 9 7.789 -5.971 -5.971
58 3HG1 VAL 9 HG12 VAL 9 8.709 -4.653 -4.653
59 1HG2 VAL 9 HG23 VAL 9 7.606 -5.421 -5.421
60 2HG2 VAL 9 HG22 VAL 9 6.301 -4.256 -4.256
61 3HG2 VAL 9 HG21 VAL 9 6.386 -5.690 -5.690
62 H ALA 10 HN ALA 10 10.620 -4.129 -4.129
63 HA ALA 10 HA ALA 10 11.727 -1.519 -1.519
64 1HB ALA 10 HB1 ALA 10 12.182 -4.296 -4.296
65 2HB ALA 10 HB3 ALA 10 12.638 -3.012 -3.012
66 3HB ALA 10 HB2 ALA 10 13.350 -3.069 -3.069
67 HA PRO 11 HA PRO 11 8.519 0.153 0.153
68 1HB PRO 11 HB2 PRO 11 10.744 1.185 1.185
69 2HB PRO 11 HB1 PRO 11 9.470 2.066 2.066
70 1HG PRO 11 HG2 PRO 11 12.170 1.663 1.663
71 2HG PRO 11 HG1 PRO 11 10.885 2.523 2.523
72 1HD PRO 11 HD2 PRO 11 12.064 0.137 0.137
73 2HD PRO 11 HD1 PRO 11 10.518 0.776 0.776
74 H ARG 12 HN ARG 12 11.486 -1.133 -1.133
75 HA ARG 12 HA ARG 12 10.094 -1.826 -1.826
76 1HB ARG 12 HB2 ARG 12 12.800 -2.379 -2.379
77 2HB ARG 12 HB1 ARG 12 12.247 -3.356 -3.356
78 1HG ARG 12 HG2 ARG 12 11.768 -1.268 -1.268
79 2HG ARG 12 HG1 ARG 12 12.418 -0.330 -0.330
80 1HD ARG 12 HD2 ARG 12 14.172 -0.602 -0.602
81 2HD ARG 12 HD1 ARG 12 14.578 -1.586 -1.586
82 HE ARG 12 HE ARG 12 13.404 -3.450 -3.450
83 1HH1 ARG 12 HH11 ARG 12 15.363 -0.819 -0.819
84 2HH1 ARG 12 HH12 ARG 12 15.912 -1.684 -1.684
85 1HH2 ARG 12 HH21 ARG 12 14.138 -4.565 -4.565
86 2HH2 ARG 12 HH22 ARG 12 15.221 -3.795 -3.795
87 H GLU 13 HN GLU 13 11.274 -3.777 -3.777
88 HA GLU 13 HA GLU 13 9.932 -6.148 -6.148
89 1HB GLU 13 HB2 GLU 13 11.588 -5.494 -5.494
90 2HB GLU 13 HB1 GLU 13 10.652 -6.989 -6.989
91 1HG GLU 13 HG2 GLU 13 11.833 -7.790 -7.790
92 2HG GLU 13 HG1 GLU 13 12.493 -6.196 -6.196
93 H ARG 14 HN ARG 14 8.134 -3.950 -3.950
94 HA ARG 14 HA ARG 14 6.741 -4.532 -4.532
95 1HB ARG 14 HB2 ARG 14 6.621 -2.400 -2.400
96 2HB ARG 14 HB1 ARG 14 5.141 -2.745 -2.745
97 1HG ARG 14 HG2 ARG 14 6.684 -2.629 -2.629
98 2HG ARG 14 HG1 ARG 14 7.784 -1.757 -1.757
99 1HD ARG 14 HD2 ARG 14 5.788 -0.268 -0.268
100 2HD ARG 14 HD1 ARG 14 4.964 -1.002 -1.002
101 HE ARG 14 HE ARG 14 7.306 -0.195 -0.195
102 1HH1 ARG 14 HH11 ARG 14 4.975 1.384 1.384
103 2HH1 ARG 14 HH12 ARG 14 5.287 2.963 2.963
104 1HH2 ARG 14 HH21 ARG 14 7.700 1.884 1.884
105 2HH2 ARG 14 HH22 ARG 14 6.824 3.244 3.244
106 H GLN 15 HN GLN 15 4.771 -5.634 -5.634
107 HA GLN 15 HA GLN 15 4.030 -7.142 -7.142
108 1HB GLN 15 HB2 GLN 15 4.044 -7.794 -7.794
109 2HB GLN 15 HB1 GLN 15 2.361 -7.307 -7.307
110 1HG GLN 15 HG2 GLN 15 2.166 -9.514 -9.514
111 2HG GLN 15 HG1 GLN 15 2.571 -8.812 -8.812
112 1HE2 GLN 15 HE21 GLN 15 4.591 -9.384 -9.384
113 2HE2 GLN 15 HE22 GLN 15 5.699 -10.439 -10.439
114 H ASN 16 HN ASN 16 2.801 -6.018 -6.018
115 HA ASN 16 HA ASN 16 1.154 -3.800 -3.800
116 1HB ASN 16 HB2 ASN 16 2.107 -4.383 -4.383
117 2HB ASN 16 HB1 ASN 16 0.840 -5.603 -5.603
118 1HD2 ASN 16 HD22 ASN 16 -1.805 -3.152 -3.152
119 2HD2 ASN 16 HD21 ASN 16 -1.477 -4.704 -4.704
120 H CYS 17 HN CYS 17 -0.772 -3.837 -3.837
121 HA CYS 17 HA CYS 17 -2.253 -6.379 -6.379
122 1HB CYS 17 HB2 CYS 17 -1.714 -5.027 -5.027
123 2HB CYS 17 HB1 CYS 17 -2.814 -3.790 -3.790
124 H GLY 18 HN GLY 18 -2.334 -3.280 -3.280
125 1HA GLY 18 HA2 GLY 18 -4.421 -3.937 -3.937
126 2HA GLY 18 HA1 GLY 18 -5.132 -3.024 -3.024
127 H PHE 19 HN PHE 19 -5.433 -1.650 -1.650
128 HA PHE 19 HA PHE 19 -3.173 -0.162 -0.162
129 1HB PHE 19 HB2 PHE 19 -4.974 1.450 1.450
130 2HB PHE 19 HB1 PHE 19 -5.032 -0.200 -0.200
131 HD1 PHE 19 HD1 PHE 19 -6.685 -1.830 -1.830
132 HD2 PHE 19 HD2 PHE 19 -6.774 2.364 2.364
133 HE1 PHE 19 HE1 PHE 19 -9.017 -2.058 -2.058
134 HE2 PHE 19 HE2 PHE 19 -9.109 2.133 2.133
135 HZ PHE 19 HZ PHE 19 -10.229 -0.078 -0.078
136 HA PRO 20 HA PRO 20 -2.835 2.956 2.956
137 1HB PRO 20 HB2 PRO 20 -2.219 5.182 5.182
138 2HB PRO 20 HB1 PRO 20 -1.079 3.939 3.939
139 1HG PRO 20 HG2 PRO 20 -2.004 4.481 4.481
140 2HG PRO 20 HG1 PRO 20 -0.838 3.260 3.260
141 1HD PRO 20 HD2 PRO 20 -3.656 2.926 2.926
142 2HD PRO 20 HD1 PRO 20 -2.391 1.697 1.697
143 H GLY 21 HN GLY 21 -5.001 3.798 3.798
144 1HA GLY 21 HA2 GLY 21 -6.167 6.129 6.129
145 2HA GLY 21 HA1 GLY 21 -6.988 4.988 4.988
146 H VAL 22 HN VAL 22 -6.237 2.940 2.940
147 HA VAL 22 HA VAL 22 -8.826 2.846 2.846
148 HB VAL 22 HB VAL 22 -7.770 1.302 1.302
149 1HG1 VAL 22 HG12 VAL 22 -8.497 0.600 0.600
150 2HG1 VAL 22 HG11 VAL 22 -6.813 0.763 0.763
151 3HG1 VAL 22 HG13 VAL 22 -7.261 -0.422 -0.422
152 1HG2 VAL 22 HG23 VAL 22 -5.285 2.325 2.325
153 2HG2 VAL 22 HG22 VAL 22 -5.611 2.202 2.202
154 3HG2 VAL 22 HG21 VAL 22 -5.310 0.744 0.744
155 H THR 23 HN THR 23 -9.333 3.152 3.152
156 HA THR 23 HA THR 23 -7.799 5.438 5.438
157 HB THR 23 HB THR 23 -10.111 5.950 5.950
158 HG1 THR 23 HG1 THR 23 -10.820 3.836 3.836
159 1HG2 THR 23 HG21 THR 23 -8.812 7.083 7.083
160 2HG2 THR 23 HG23 THR 23 -10.146 6.416 6.416
161 3HG2 THR 23 HG22 THR 23 -10.472 7.545 7.545
162 HA PRO 24 HA PRO 24 -6.814 3.480 3.480
163 1HB PRO 24 HB2 PRO 24 -8.685 5.193 5.193
164 2HB PRO 24 HB1 PRO 24 -6.922 5.098 5.098
165 1HG PRO 24 HG2 PRO 24 -8.526 7.030 7.030
166 2HG PRO 24 HG1 PRO 24 -6.766 6.983 6.983
167 1HD PRO 24 HD2 PRO 24 -8.090 6.610 6.610
168 2HD PRO 24 HD1 PRO 24 -6.450 6.021 6.021
169 H SER 25 HN SER 25 -10.294 4.201 4.201
170 HA SER 25 HA SER 25 -11.236 2.215 2.215
171 1HB SER 25 HB2 SER 25 -13.360 2.505 2.505
172 2HB SER 25 HB1 SER 25 -12.853 3.818 3.818
173 HG SER 25 HG SER 25 -12.649 4.948 4.948
174 H GLN 26 HN GLN 26 -10.879 2.265 2.265
175 HA GLN 26 HA GLN 26 -11.813 -0.377 -0.377
176 1HB GLN 26 HB2 GLN 26 -10.116 1.552 1.552
177 2HB GLN 26 HB1 GLN 26 -10.240 -0.118 -0.118
178 1HG GLN 26 HG2 GLN 26 -12.694 0.063 0.063
179 2HG GLN 26 HG1 GLN 26 -12.585 1.727 1.727
180 1HE2 GLN 26 HE22 GLN 26 -11.057 1.058 1.058
181 2HE2 GLN 26 HE21 GLN 26 -10.748 -0.074 -0.074
182 H CYS 27 HN CYS 27 -8.485 0.911 0.911
183 HA CYS 27 HA CYS 27 -7.184 -1.604 -1.604
184 1HB CYS 27 HB2 CYS 27 -6.112 0.709 0.709
185 2HB CYS 27 HB1 CYS 27 -6.245 0.723 0.723
186 H ALA 28 HN ALA 28 -8.922 -0.046 -0.046
187 HA ALA 28 HA ALA 28 -7.895 -1.945 -1.945
188 1HB ALA 28 HB2 ALA 28 -8.448 0.502 0.502
189 2HB ALA 28 HB1 ALA 28 -10.145 0.041 0.041
190 3HB ALA 28 HB3 ALA 28 -9.129 -0.682 -0.682
191 H ASN 29 HN ASN 29 -10.327 -1.912 -1.912
192 HA ASN 29 HA ASN 29 -12.321 -3.410 -3.410
193 1HB ASN 29 HB2 ASN 29 -12.536 -1.921 -1.921
194 2HB ASN 29 HB1 ASN 29 -12.152 -3.443 -3.443
195 1HD2 ASN 29 HD22 ASN 29 -15.863 -2.882 -2.882
196 2HD2 ASN 29 HD21 ASN 29 -14.718 -1.634 -1.634
197 H LYS 30 HN LYS 30 -9.656 -4.158 -4.158
198 HA LYS 30 HA LYS 30 -10.303 -6.999 -6.999
199 1HB LYS 30 HB2 LYS 30 -8.326 -5.230 -5.230
200 2HB LYS 30 HB1 LYS 30 -7.851 -6.911 -6.911
201 1HG LYS 30 HG2 LYS 30 -10.602 -6.438 -6.438
202 2HG LYS 30 HG1 LYS 30 -9.268 -6.122 -6.122
203 1HD LYS 30 HD2 LYS 30 -8.358 -8.407 -8.407
204 2HD LYS 30 HD1 LYS 30 -9.854 -8.707 -8.707
205 1HE LYS 30 HE2 LYS 30 -11.115 -8.161 -8.161
206 2HE LYS 30 HE1 LYS 30 -9.563 -8.130 -8.130
207 1HZ LYS 30 HZ2 LYS 30 -10.605 -10.407 -10.407
208 2HZ LYS 30 HZ1 LYS 30 -10.677 -10.267 -10.267
209 3HZ LYS 30 HZ3 LYS 30 -9.174 -10.370 -10.370
210 H GLY 31 HN GLY 31 -7.823 -4.832 -4.832
211 1HA GLY 31 HA2 GLY 31 -7.141 -5.404 -5.404
212 2HA GLY 31 HA1 GLY 31 -7.056 -7.082 -7.082
213 H CYS 32 HN CYS 32 -5.928 -4.213 -4.213
214 HA CYS 32 HA CYS 32 -3.195 -5.370 -5.370
215 1HB CYS 32 HB2 CYS 32 -4.763 -4.021 -4.021
216 2HB CYS 32 HB1 CYS 32 -3.023 -3.739 -3.739
217 H CYS 33 HN CYS 33 -1.432 -3.922 -3.922
218 HA CYS 33 HA CYS 33 -2.055 -1.692 -1.692
219 1HB CYS 33 HB2 CYS 33 0.570 -2.431 -2.431
220 2HB CYS 33 HB1 CYS 33 0.370 -1.321 -1.321
221 H PHE 34 HN PHE 34 -2.546 0.373 0.373
222 HA PHE 34 HA PHE 34 -2.071 1.085 1.085
223 1HB PHE 34 HB2 PHE 34 -4.370 1.338 1.338
224 2HB PHE 34 HB1 PHE 34 -3.719 2.533 2.533
225 HD1 PHE 34 HD2 PHE 34 -4.433 1.795 1.795
226 HD2 PHE 34 HD1 PHE 34 -3.077 4.745 4.745
227 HE1 PHE 34 HE2 PHE 34 -4.653 3.552 3.552
228 HE2 PHE 34 HE1 PHE 34 -3.297 6.502 6.502
229 HZ PHE 34 HZ PHE 34 -4.085 5.907 5.907
230 H ASP 35 HN ASP 35 -0.807 2.900 2.900
231 HA ASP 35 HA ASP 35 0.244 4.638 4.638
232 1HB ASP 35 HB2 ASP 35 1.698 2.542 2.542
233 2HB ASP 35 HB1 ASP 35 2.196 3.004 3.004
234 H ASP 36 HN ASP 36 -0.039 6.601 6.601
235 HA ASP 36 HA ASP 36 0.562 6.784 6.784
236 1HB ASP 36 HB2 ASP 36 -0.896 8.816 8.816
237 2HB ASP 36 HB1 ASP 36 -1.757 7.341 7.341
238 H THR 37 HN THR 37 2.861 6.842 6.842
239 HA THR 37 HA THR 37 3.453 9.618 9.618
240 HB THR 37 HB THR 37 5.573 8.698 8.698
241 HG1 THR 37 HG1 THR 37 5.211 6.132 6.132
242 1HG2 THR 37 HG22 THR 37 3.109 7.114 7.114
243 2HG2 THR 37 HG21 THR 37 4.618 7.095 7.095
244 3HG2 THR 37 HG23 THR 37 3.700 8.592 8.592
245 H VAL 38 HN VAL 38 4.917 7.049 7.049
246 HA VAL 38 HA VAL 38 6.200 9.183 9.183
247 HB VAL 38 HB VAL 38 6.566 6.177 6.177
248 1HG1 VAL 38 HG12 VAL 38 8.019 8.557 8.557
249 2HG1 VAL 38 HG11 VAL 38 8.754 6.956 6.956
250 3HG1 VAL 38 HG13 VAL 38 7.294 7.199 7.199
251 1HG2 VAL 38 HG22 VAL 38 7.759 8.282 8.282
252 2HG2 VAL 38 HG21 VAL 38 7.470 6.573 6.573
253 3HG2 VAL 38 HG23 VAL 38 8.852 7.058 7.058
254 H ARG 39 HN ARG 39 6.108 8.969 8.969
255 HA ARG 39 HA ARG 39 3.415 8.047 8.047
256 1HB ARG 39 HB2 ARG 39 5.286 10.184 10.184
257 2HB ARG 39 HB1 ARG 39 4.077 9.508 9.508
258 1HG ARG 39 HG2 ARG 39 2.899 11.284 11.284
259 2HG ARG 39 HG1 ARG 39 2.432 9.945 9.945
260 1HD ARG 39 HD2 ARG 39 3.653 10.730 10.730
261 2HD ARG 39 HD1 ARG 39 4.912 11.408 11.408
262 HE ARG 39 HE ARG 39 2.276 12.731 12.731
263 1HH1 ARG 39 HH21 ARG 39 5.667 12.680 12.680
264 2HH1 ARG 39 HH22 ARG 39 5.740 14.374 14.374
265 1HH2 ARG 39 HH11 ARG 39 2.395 14.947 14.947
266 2HH2 ARG 39 HH12 ARG 39 3.895 15.650 15.650
267 H GLY 40 HN GLY 40 3.419 7.348 7.348
268 1HA GLY 40 HA2 GLY 40 4.293 6.016 6.016
269 2HA GLY 40 HA1 GLY 40 5.859 6.056 6.056
270 H VAL 41 HN VAL 41 5.198 5.070 5.070
271 HA VAL 41 HA VAL 41 4.910 2.249 2.249
272 HB VAL 41 HB VAL 41 5.226 2.002 2.002
273 1HG1 VAL 41 HG11 VAL 41 7.119 2.309 2.309
274 2HG1 VAL 41 HG13 VAL 41 7.225 3.969 3.969
275 3HG1 VAL 41 HG12 VAL 41 7.521 2.627 2.627
276 1HG2 VAL 41 HG22 VAL 41 4.061 4.148 4.148
277 2HG2 VAL 41 HG21 VAL 41 5.637 3.982 3.982
278 3HG2 VAL 41 HG23 VAL 41 5.451 5.027 5.027
279 HA PRO 42 HA PRO 42 0.618 1.874 1.874
280 1HB PRO 42 HB2 PRO 42 0.698 -0.687 -0.687
281 2HB PRO 42 HB1 PRO 42 0.617 -0.314 -0.314
282 1HG PRO 42 HG2 PRO 42 2.764 -1.519 -1.519
283 2HG PRO 42 HG1 PRO 42 2.703 -1.085 -1.085
284 1HD PRO 42 HD2 PRO 42 3.973 0.357 0.357
285 2HD PRO 42 HD1 PRO 42 4.322 0.444 0.444
286 H TRP 43 HN TRP 43 -0.534 2.689 2.689
287 HA TRP 43 HA TRP 43 0.713 2.916 2.916
288 1HB TRP 43 HB2 TRP 43 -2.159 3.485 3.485
289 2HB TRP 43 HB1 TRP 43 -1.320 4.081 4.081
290 HD1 TRP 43 HD1 TRP 43 1.440 4.839 4.839
291 HE1 TRP 43 HE1 TRP 43 1.487 6.946 6.946
292 HE3 TRP 43 HE3 TRP 43 -3.558 5.402 5.402
293 HZ2 TRP 43 HZ2 TRP 43 -0.350 8.646 8.646
294 HZ3 TRP 43 HZ3 TRP 43 -4.379 7.273 7.273
295 HH2 TRP 43 HH2 TRP 43 -2.785 8.894 8.894
296 H CYS 44 HN CYS 44 -1.899 0.889 0.889
297 HA CYS 44 HA CYS 44 -2.314 -0.381 -0.381
298 1HB CYS 44 HB2 CYS 44 -4.159 0.153 0.153
299 2HB CYS 44 HB1 CYS 44 -3.544 -1.241 -1.241
300 H PHE 45 HN PHE 45 -0.734 -1.847 -1.847
301 HA PHE 45 HA PHE 45 -0.051 -3.906 -3.906
302 1HB PHE 45 HB2 PHE 45 2.304 -3.842 -3.842
303 2HB PHE 45 HB1 PHE 45 1.807 -2.263 -2.263
304 HD1 PHE 45 HD1 PHE 45 0.799 -0.659 -0.659
305 HD2 PHE 45 HD2 PHE 45 3.510 -3.914 -3.914
306 HE1 PHE 45 HE1 PHE 45 1.495 0.374 0.374
307 HE2 PHE 45 HE2 PHE 45 4.209 -2.882 -2.882
308 HZ PHE 45 HZ PHE 45 3.200 -0.736 -0.736
309 H TYR 46 HN TYR 46 1.373 -5.687 -5.687
310 HA TYR 46 HA TYR 46 -0.439 -6.480 -6.480
311 1HB TYR 46 HB2 TYR 46 1.625 -7.849 -7.849
312 2HB TYR 46 HB1 TYR 46 1.212 -8.549 -8.549
313 HD1 TYR 46 HD1 TYR 46 -1.051 -9.374 -9.374
314 HD2 TYR 46 HD2 TYR 46 -0.009 -7.742 -7.742
315 HE1 TYR 46 HE1 TYR 46 -3.121 -10.333 -10.333
316 HE2 TYR 46 HE2 TYR 46 -2.079 -8.701 -8.701
317 HH TYR 46 HH TYR 46 -4.005 -9.735 -9.735
318 HA PRO 47 HA PRO 47 2.578 -5.674 -5.674
319 1HB PRO 47 HB2 PRO 47 1.711 -7.544 -7.544
320 2HB PRO 47 HB1 PRO 47 0.910 -5.999 -5.999
321 1HG PRO 47 HG2 PRO 47 -0.060 -8.634 -8.634
322 2HG PRO 47 HG1 PRO 47 -0.860 -7.086 -7.086
323 1HD PRO 47 HD2 PRO 47 0.627 -8.831 -8.831
324 2HD PRO 47 HD1 PRO 47 -0.597 -7.590 -7.590
325 H ASN 48 HN ASN 48 4.551 -6.445 -6.445
326 HA ASN 48 HA ASN 48 5.308 -9.211 -9.211
327 1HB ASN 48 HB2 ASN 48 6.748 -6.608 -6.608
328 2HB ASN 48 HB1 ASN 48 7.701 -8.048 -8.048
329 1HD2 ASN 48 HD22 ASN 48 7.665 -8.824 -8.824
330 2HD2 ASN 48 HD21 ASN 48 8.588 -8.563 -8.563
331 H THR 49 HN THR 49 5.073 -10.222 -10.222
332 HA THR 49 HA THR 49 5.604 -9.012 -9.012
333 HB THR 49 HB THR 49 5.877 -11.510 -11.510
334 HG1 THR 49 HG1 THR 49 6.231 -11.940 -11.940
335 1HG2 THR 49 HG22 THR 49 3.459 -10.139 -10.139
336 2HG2 THR 49 HG21 THR 49 3.325 -11.812 -11.812
337 3HG2 THR 49 HG23 THR 49 3.827 -10.559 -10.559
338 H ILE 50 HN ILE 50 7.629 -8.000 -8.000
339 HA ILE 50 HA ILE 50 9.951 -9.840 -9.840
340 HB ILE 50 HB ILE 50 9.948 -6.948 -6.948
341 1HG1 ILE 50 HG12 ILE 50 10.273 -9.409 -9.409
342 2HG1 ILE 50 HG11 ILE 50 8.698 -8.660 -8.660
343 1HG2 ILE 50 HG23 ILE 50 12.037 -9.147 -9.147
344 2HG2 ILE 50 HG22 ILE 50 12.208 -7.601 -7.601
345 3HG2 ILE 50 HG21 ILE 50 12.102 -7.650 -7.650
346 1HD1 ILE 50 HD11 ILE 50 11.107 -7.119 -7.119
347 2HD1 ILE 50 HD13 ILE 50 9.928 -7.863 -7.863
348 3HD1 ILE 50 HD12 ILE 50 9.426 -6.585 -6.585
349 H ASP 51 HN ASP 51 11.708 -9.203 -9.203
350 HA ASP 51 HA ASP 51 10.816 -7.310 -7.310
351 1HB ASP 51 HB2 ASP 51 10.740 -9.897 -9.897
352 2HB ASP 51 HB1 ASP 51 12.486 -9.715 -9.715
353 H VAL 52 HN VAL 52 12.545 -6.151 -6.151
354 HA VAL 52 HA VAL 52 15.186 -6.403 -6.403
355 HB VAL 52 HB VAL 52 15.351 -3.909 -3.909
356 1HG1 VAL 52 HG13 VAL 52 14.634 -5.111 -5.111
357 2HG1 VAL 52 HG12 VAL 52 12.956 -4.926 -4.926
358 3HG1 VAL 52 HG11 VAL 52 13.925 -3.502 -3.502
359 1HG2 VAL 52 HG23 VAL 52 13.456 -3.867 -3.867
360 2HG2 VAL 52 HG22 VAL 52 13.523 -2.563 -2.563
361 3HG2 VAL 52 HG21 VAL 52 12.367 -3.879 -3.879
362 HA PRO 53 HA PRO 53 17.203 -6.769 -6.769
363 1HB PRO 53 HB2 PRO 53 18.854 -4.417 -4.417
364 2HB PRO 53 HB1 PRO 53 19.321 -6.122 -6.122
365 1HG PRO 53 HG2 PRO 53 18.806 -4.393 -4.393
366 2HG PRO 53 HG1 PRO 53 19.546 -6.003 -6.003
367 1HD PRO 53 HD2 PRO 53 17.074 -5.504 -5.504
368 2HD PRO 53 HD1 PRO 53 17.551 -7.073 -7.073
369 HA PRO 54 HA PRO 54 16.720 -1.950 -1.950
370 1HB PRO 54 HB2 PRO 54 14.507 -1.229 -1.229
371 2HB PRO 54 HB1 PRO 54 15.965 -0.314 -0.314
372 1HG PRO 54 HG2 PRO 54 15.426 -1.865 -1.865
373 2HG PRO 54 HG1 PRO 54 16.843 -0.872 -0.872
374 1HD PRO 54 HD2 PRO 54 16.871 -3.623 -3.623
375 2HD PRO 54 HD1 PRO 54 18.074 -2.670 -2.670
376 H GLU 55 HN GLU 55 14.948 -1.314 -1.314
377 HA GLU 55 HA GLU 55 12.825 -3.385 -3.385
378 1HB GLU 55 HB2 GLU 55 14.397 -1.908 -1.908
379 2HB GLU 55 HB1 GLU 55 12.790 -2.526 -2.526
380 1HG GLU 55 HG2 GLU 55 14.909 -4.272 -4.272
381 2HG GLU 55 HG1 GLU 55 14.771 -4.092 -4.092
382 H GLU 56 HN GLU 56 10.670 -2.676 -2.676
383 HA GLU 56 HA GLU 56 10.269 0.224 0.224
384 1HB GLU 56 HB2 GLU 56 8.744 -2.243 -2.243
385 2HB GLU 56 HB1 GLU 56 7.842 -0.750 -0.750
386 1HG GLU 56 HG2 GLU 56 8.842 0.339 0.339
387 2HG GLU 56 HG1 GLU 56 10.295 -0.658 -0.658
388 H GLU 57 HN GLU 57 9.720 1.360 1.360
389 HA GLU 57 HA GLU 57 7.896 0.072 0.072
390 1HB GLU 57 HB2 GLU 57 10.394 -0.001 -0.001
391 2HB GLU 57 HB1 GLU 57 10.230 1.740 1.740
392 1HG GLU 57 HG2 GLU 57 8.732 1.500 1.500
393 2HG GLU 57 HG1 GLU 57 8.177 -0.081 -0.081
394 H SER 58 HN SER 58 6.573 1.603 1.603
395 HA SER 58 HA SER 58 6.048 4.026 4.026
396 1HB SER 58 HB2 SER 58 4.489 4.350 4.350
397 2HB SER 58 HB1 SER 58 4.089 3.156 3.156
398 HG SER 58 HG SER 58 5.208 2.808 2.808
399 H GLU 59 HN GLU 59 6.843 6.057 6.057
400 HA GLU 59 HA GLU 59 7.948 6.599 6.599
401 1HB GLU 59 HB2 GLU 59 9.982 7.604 7.604
402 2HB GLU 59 HB1 GLU 59 9.879 5.864 5.864
403 1HG GLU 59 HG2 GLU 59 8.560 6.698 6.698
404 2HG GLU 59 HG1 GLU 59 9.600 8.100 8.100
405 H PHE 60 HN PHE 60 8.070 8.906 8.906
406 HA PHE 60 HA PHE 60 6.816 10.675 10.675
407 1HB PHE 60 HB2 PHE 60 5.185 9.643 9.643
408 2HB PHE 60 HB1 PHE 60 5.919 10.854 10.854
409 HD1 PHE 60 HD2 PHE 60 5.746 13.268 13.268
410 HD2 PHE 60 HD1 PHE 60 3.729 10.274 10.274
411 HE1 PHE 60 HE2 PHE 60 4.315 15.021 15.021
412 HE2 PHE 60 HE1 PHE 60 2.297 12.026 12.026
413 HZ PHE 60 HZ PHE 60 2.590 14.400 14.400
Start of MODEL 17
1 1H GLU 1 HT1 GLU 1 12.803 -15.694 -15.694
2 2H GLU 1 HT3 GLU 1 12.836 -17.229 -17.229
3 3H GLU 1 HT2 GLU 1 12.775 -17.088 -17.088
4 HA GLU 1 HA GLU 1 10.614 -17.282 -17.282
5 1HB GLU 1 HB2 GLU 1 10.977 -16.708 -16.708
6 2HB GLU 1 HB1 GLU 1 9.461 -17.214 -17.214
7 1HG GLU 1 HG2 GLU 1 10.347 -19.339 -19.339
8 2HG GLU 1 HG1 GLU 1 12.004 -18.822 -18.822
9 H ALA 2 HN ALA 2 12.005 -14.716 -14.716
10 HA ALA 2 HA ALA 2 10.110 -12.741 -12.741
11 1HB ALA 2 HB1 ALA 2 12.699 -12.444 -12.444
12 2HB ALA 2 HB3 ALA 2 12.392 -12.111 -12.111
13 3HB ALA 2 HB2 ALA 2 11.663 -11.093 -11.093
14 H GLN 3 HN GLN 3 8.195 -12.981 -12.981
15 HA GLN 3 HA GLN 3 8.442 -12.398 -12.398
16 1HB GLN 3 HB2 GLN 3 6.800 -14.603 -14.603
17 2HB GLN 3 HB1 GLN 3 6.564 -14.042 -14.042
18 1HG GLN 3 HG2 GLN 3 9.294 -14.884 -14.884
19 2HG GLN 3 HG1 GLN 3 8.129 -16.081 -16.081
20 1HE2 GLN 3 HE22 GLN 3 9.719 -13.411 -13.411
21 2HE2 GLN 3 HE21 GLN 3 9.786 -13.062 -13.062
22 H THR 4 HN THR 4 7.039 -10.787 -10.787
23 HA THR 4 HA THR 4 4.600 -10.343 -10.343
24 HB THR 4 HB THR 4 5.150 -7.854 -7.854
25 HG1 THR 4 HG1 THR 4 7.831 -8.567 -8.567
26 1HG2 THR 4 HG23 THR 4 5.565 -9.718 -9.718
27 2HG2 THR 4 HG22 THR 4 7.237 -9.216 -9.216
28 3HG2 THR 4 HG21 THR 4 6.024 -8.032 -8.032
29 H GLU 5 HN GLU 5 3.433 -8.286 -8.286
30 HA GLU 5 HA GLU 5 3.497 -8.942 -8.942
31 1HB GLU 5 HB2 GLU 5 1.307 -8.132 -8.132
32 2HB GLU 5 HB1 GLU 5 1.146 -7.787 -7.787
33 1HG GLU 5 HG2 GLU 5 1.190 -10.063 -10.063
34 2HG GLU 5 HG1 GLU 5 1.925 -10.540 -10.540
35 H THR 6 HN THR 6 4.167 -7.334 -7.334
36 HA THR 6 HA THR 6 3.740 -4.534 -4.534
37 HB THR 6 HB THR 6 6.504 -5.205 -5.205
38 HG1 THR 6 HG1 THR 6 7.102 -5.620 -5.620
39 1HG2 THR 6 HG21 THR 6 5.377 -2.886 -2.886
40 2HG2 THR 6 HG23 THR 6 5.714 -3.323 -3.323
41 3HG2 THR 6 HG22 THR 6 7.036 -3.190 -3.190
42 H CYS 7 HN CYS 7 3.613 -3.172 -3.172
43 HA CYS 7 HA CYS 7 3.731 -4.600 -4.600
44 1HB CYS 7 HB2 CYS 7 2.260 -2.068 -2.068
45 2HB CYS 7 HB1 CYS 7 2.232 -2.807 -2.807
46 H THR 8 HN THR 8 5.955 -3.133 -3.133
47 HA THR 8 HA THR 8 6.576 -0.869 -0.869
48 HB THR 8 HB THR 8 7.197 -0.741 -0.741
49 HG1 THR 8 HG1 THR 8 9.463 -0.382 -0.382
50 1HG2 THR 8 HG21 THR 8 7.546 -3.369 -3.369
51 2HG2 THR 8 HG23 THR 8 9.220 -2.924 -2.924
52 3HG2 THR 8 HG22 THR 8 8.424 -2.344 -2.344
53 H VAL 9 HN VAL 9 6.903 -1.693 -1.693
54 HA VAL 9 HA VAL 9 9.231 -3.520 -3.520
55 HB VAL 9 HB VAL 9 6.851 -3.295 -3.295
56 1HG1 VAL 9 HG13 VAL 9 9.450 -4.755 -4.755
57 2HG1 VAL 9 HG12 VAL 9 8.032 -5.642 -5.642
58 3HG1 VAL 9 HG11 VAL 9 8.495 -4.132 -4.132
59 1HG2 VAL 9 HG22 VAL 9 6.339 -4.314 -4.314
60 2HG2 VAL 9 HG21 VAL 9 6.131 -5.430 -5.430
61 3HG2 VAL 9 HG23 VAL 9 7.568 -5.535 -5.535
62 H ALA 10 HN ALA 10 10.609 -3.085 -3.085
63 HA ALA 10 HA ALA 10 10.793 -0.242 -0.242
64 1HB ALA 10 HB3 ALA 10 12.414 -2.612 -2.612
65 2HB ALA 10 HB2 ALA 10 12.796 -0.930 -0.930
66 3HB ALA 10 HB1 ALA 10 12.848 -1.497 -1.497
67 HA PRO 11 HA PRO 11 8.219 0.261 0.261
68 1HB PRO 11 HB2 PRO 11 10.559 1.394 1.394
69 2HB PRO 11 HB1 PRO 11 9.015 2.157 2.157
70 1HG PRO 11 HG2 PRO 11 11.522 2.384 2.384
71 2HG PRO 11 HG1 PRO 11 9.985 3.176 3.176
72 1HD PRO 11 HD2 PRO 11 11.202 1.255 1.255
73 2HD PRO 11 HD1 PRO 11 9.477 1.668 1.668
74 H ARG 12 HN ARG 12 11.537 -1.025 -1.025
75 HA ARG 12 HA ARG 12 11.010 -2.190 -2.190
76 1HB ARG 12 HB2 ARG 12 13.216 -2.389 -2.389
77 2HB ARG 12 HB1 ARG 12 13.158 -3.521 -3.521
78 1HG ARG 12 HG2 ARG 12 13.458 -1.840 -1.840
79 2HG ARG 12 HG1 ARG 12 12.880 -0.573 -0.573
80 1HD ARG 12 HD2 ARG 12 15.126 -0.145 -0.145
81 2HD ARG 12 HD1 ARG 12 15.015 -1.403 -1.403
82 HE ARG 12 HE ARG 12 15.524 -2.415 -2.415
83 1HH1 ARG 12 HH11 ARG 12 16.894 -1.171 -1.171
84 2HH1 ARG 12 HH12 ARG 12 18.432 -1.932 -1.932
85 1HH2 ARG 12 HH21 ARG 12 17.547 -3.402 -3.402
86 2HH2 ARG 12 HH22 ARG 12 18.799 -3.188 -3.188
87 H GLU 13 HN GLU 13 11.324 -3.541 -3.541
88 HA GLU 13 HA GLU 13 10.440 -6.153 -6.153
89 1HB GLU 13 HB2 GLU 13 11.161 -4.952 -4.952
90 2HB GLU 13 HB1 GLU 13 10.399 -6.540 -6.540
91 1HG GLU 13 HG2 GLU 13 12.720 -6.029 -6.029
92 2HG GLU 13 HG1 GLU 13 13.062 -6.246 -6.246
93 H ARG 14 HN ARG 14 8.617 -3.762 -3.762
94 HA ARG 14 HA ARG 14 6.423 -4.526 -4.526
95 1HB ARG 14 HB2 ARG 14 7.036 -2.108 -2.108
96 2HB ARG 14 HB1 ARG 14 5.358 -2.462 -2.462
97 1HG ARG 14 HG2 ARG 14 6.218 -2.716 -2.716
98 2HG ARG 14 HG1 ARG 14 7.665 -1.886 -1.886
99 1HD ARG 14 HD2 ARG 14 5.904 -0.184 -0.184
100 2HD ARG 14 HD1 ARG 14 4.863 -0.855 -0.855
101 HE ARG 14 HE ARG 14 7.302 -0.234 -0.234
102 1HH1 ARG 14 HH11 ARG 14 4.719 1.399 1.399
103 2HH1 ARG 14 HH12 ARG 14 4.928 2.889 2.889
104 1HH2 ARG 14 HH21 ARG 14 7.559 1.729 1.729
105 2HH2 ARG 14 HH22 ARG 14 6.530 3.075 3.075
106 H GLN 15 HN GLN 15 4.409 -5.262 -5.262
107 HA GLN 15 HA GLN 15 4.459 -5.982 -5.982
108 1HB GLN 15 HB2 GLN 15 3.108 -7.491 -7.491
109 2HB GLN 15 HB1 GLN 15 3.201 -7.988 -7.988
110 1HG GLN 15 HG2 GLN 15 5.822 -7.667 -7.667
111 2HG GLN 15 HG1 GLN 15 5.305 -8.040 -8.040
112 1HE2 GLN 15 HE22 GLN 15 5.958 -11.180 -11.180
113 2HE2 GLN 15 HE21 GLN 15 6.847 -9.738 -9.738
114 H ASN 16 HN ASN 16 2.350 -5.937 -5.937
115 HA ASN 16 HA ASN 16 0.664 -3.796 -3.796
116 1HB ASN 16 HB2 ASN 16 1.297 -4.353 -4.353
117 2HB ASN 16 HB1 ASN 16 0.000 -5.542 -5.542
118 1HD2 ASN 16 HD22 ASN 16 -0.942 -1.544 -1.544
119 2HD2 ASN 16 HD21 ASN 16 0.648 -2.035 -2.035
120 H CYS 17 HN CYS 17 -1.107 -4.109 -4.109
121 HA CYS 17 HA CYS 17 -2.070 -6.873 -6.873
122 1HB CYS 17 HB2 CYS 17 -1.424 -5.097 -5.097
123 2HB CYS 17 HB1 CYS 17 -3.090 -4.585 -4.585
124 H GLY 18 HN GLY 18 -2.968 -3.768 -3.768
125 1HA GLY 18 HA2 GLY 18 -5.292 -4.889 -4.889
126 2HA GLY 18 HA1 GLY 18 -5.723 -3.773 -3.773
127 H PHE 19 HN PHE 19 -6.588 -2.810 -2.810
128 HA PHE 19 HA PHE 19 -4.640 -1.444 -1.444
129 1HB PHE 19 HB2 PHE 19 -6.668 -0.082 -0.082
130 2HB PHE 19 HB1 PHE 19 -6.737 -1.819 -1.819
131 HD1 PHE 19 HD2 PHE 19 -8.036 -3.283 -3.283
132 HD2 PHE 19 HD1 PHE 19 -8.292 1.008 1.008
133 HE1 PHE 19 HE2 PHE 19 -10.163 -3.415 -3.415
134 HE2 PHE 19 HE1 PHE 19 -10.427 0.870 0.870
135 HZ PHE 19 HZ PHE 19 -11.359 -1.340 -1.340
136 HA PRO 20 HA PRO 20 -3.942 2.186 2.186
137 1HB PRO 20 HB2 PRO 20 -3.726 4.097 4.097
138 2HB PRO 20 HB1 PRO 20 -2.447 2.995 2.995
139 1HG PRO 20 HG2 PRO 20 -3.846 3.024 3.024
140 2HG PRO 20 HG1 PRO 20 -2.550 1.937 1.937
141 1HD PRO 20 HD2 PRO 20 -5.440 1.444 1.444
142 2HD PRO 20 HD1 PRO 20 -4.106 0.283 0.283
143 H GLY 21 HN GLY 21 -6.594 2.462 2.462
144 1HA GLY 21 HA2 GLY 21 -7.682 4.925 4.925
145 2HA GLY 21 HA1 GLY 21 -8.625 3.567 3.567
146 H VAL 22 HN VAL 22 -7.388 2.025 2.025
147 HA VAL 22 HA VAL 22 -9.681 2.252 2.252
148 HB VAL 22 HB VAL 22 -8.301 0.965 0.965
149 1HG1 VAL 22 HG13 VAL 22 -9.532 -0.063 -0.063
150 2HG1 VAL 22 HG12 VAL 22 -7.962 -0.143 -0.143
151 3HG1 VAL 22 HG11 VAL 22 -8.235 -1.033 -1.033
152 1HG2 VAL 22 HG21 VAL 22 -6.168 1.638 1.638
153 2HG2 VAL 22 HG23 VAL 22 -6.101 1.755 1.755
154 3HG2 VAL 22 HG22 VAL 22 -6.043 0.175 0.175
155 H THR 23 HN THR 23 -9.881 3.221 3.221
156 HA THR 23 HA THR 23 -8.120 5.566 5.566
157 HB THR 23 HB THR 23 -9.884 6.445 6.445
158 HG1 THR 23 HG1 THR 23 -11.775 4.618 4.618
159 1HG2 THR 23 HG23 THR 23 -10.021 6.441 6.441
160 2HG2 THR 23 HG22 THR 23 -11.337 5.292 5.292
161 3HG2 THR 23 HG21 THR 23 -11.443 6.914 6.914
162 HA PRO 24 HA PRO 24 -5.672 4.398 4.398
163 1HB PRO 24 HB2 PRO 24 -7.243 6.127 6.127
164 2HB PRO 24 HB1 PRO 24 -5.530 6.210 6.210
165 1HG PRO 24 HG2 PRO 24 -7.704 7.750 7.750
166 2HG PRO 24 HG1 PRO 24 -5.981 7.865 7.865
167 1HD PRO 24 HD2 PRO 24 -7.924 7.002 7.002
168 2HD PRO 24 HD1 PRO 24 -6.200 6.599 6.599
169 H SER 25 HN SER 25 -9.072 4.920 4.920
170 HA SER 25 HA SER 25 -8.839 2.721 2.721
171 1HB SER 25 HB2 SER 25 -11.167 4.459 4.459
172 2HB SER 25 HB1 SER 25 -11.273 3.217 3.217
173 HG SER 25 HG SER 25 -10.556 5.658 5.658
174 H GLN 26 HN GLN 26 -10.077 3.161 3.161
175 HA GLN 26 HA GLN 26 -11.809 0.930 0.930
176 1HB GLN 26 HB2 GLN 26 -10.345 2.608 2.608
177 2HB GLN 26 HB1 GLN 26 -10.885 1.027 1.027
178 1HG GLN 26 HG2 GLN 26 -13.178 1.571 1.571
179 2HG GLN 26 HG1 GLN 26 -12.606 3.201 3.201
180 1HE2 GLN 26 HE22 GLN 26 -12.623 2.145 2.145
181 2HE2 GLN 26 HE21 GLN 26 -12.116 1.006 1.006
182 H CYS 27 HN CYS 27 -8.353 1.160 1.160
183 HA CYS 27 HA CYS 27 -8.200 -1.701 -1.701
184 1HB CYS 27 HB2 CYS 27 -6.745 0.471 0.471
185 2HB CYS 27 HB1 CYS 27 -5.654 -0.250 -0.250
186 H ALA 28 HN ALA 28 -7.540 0.559 0.559
187 HA ALA 28 HA ALA 28 -5.961 -1.363 -1.363
188 1HB ALA 28 HB3 ALA 28 -5.583 1.061 1.061
189 2HB ALA 28 HB2 ALA 28 -7.228 1.255 1.255
190 3HB ALA 28 HB1 ALA 28 -6.048 0.333 0.333
191 H ASN 29 HN ASN 29 -9.255 -1.081 -1.081
192 HA ASN 29 HA ASN 29 -10.014 -2.221 -2.221
193 1HB ASN 29 HB2 ASN 29 -11.268 -0.211 -0.211
194 2HB ASN 29 HB1 ASN 29 -11.785 -1.100 -1.100
195 1HD2 ASN 29 HD22 ASN 29 -14.633 -1.915 -1.915
196 2HD2 ASN 29 HD21 ASN 29 -14.056 -0.946 -0.946
197 H LYS 30 HN LYS 30 -9.162 -3.196 -3.196
198 HA LYS 30 HA LYS 30 -11.097 -5.394 -5.394
199 1HB LYS 30 HB2 LYS 30 -9.572 -3.948 -3.948
200 2HB LYS 30 HB1 LYS 30 -8.890 -5.573 -5.573
201 1HG LYS 30 HG2 LYS 30 -11.146 -6.522 -6.522
202 2HG LYS 30 HG1 LYS 30 -11.826 -4.896 -4.896
203 1HD LYS 30 HD2 LYS 30 -10.292 -4.359 -4.359
204 2HD LYS 30 HD1 LYS 30 -9.885 -6.075 -6.075
205 1HE LYS 30 HE2 LYS 30 -12.603 -6.215 -6.215
206 2HE LYS 30 HE1 LYS 30 -12.377 -4.692 -4.692
207 1HZ LYS 30 HZ1 LYS 30 -10.998 -7.201 -7.201
208 2HZ LYS 30 HZ3 LYS 30 -12.431 -6.675 -6.675
209 3HZ LYS 30 HZ2 LYS 30 -11.012 -5.751 -5.751
210 H GLY 31 HN GLY 31 -7.553 -4.931 -4.931
211 1HA GLY 31 HA2 GLY 31 -6.940 -6.645 -6.645
212 2HA GLY 31 HA1 GLY 31 -7.229 -7.773 -7.773
213 H CYS 32 HN CYS 32 -6.001 -4.652 -4.652
214 HA CYS 32 HA CYS 32 -3.307 -5.852 -5.852
215 1HB CYS 32 HB2 CYS 32 -4.792 -3.858 -3.858
216 2HB CYS 32 HB1 CYS 32 -3.116 -4.350 -4.350
217 H CYS 33 HN CYS 33 -1.500 -4.449 -4.449
218 HA CYS 33 HA CYS 33 -2.032 -2.388 -2.388
219 1HB CYS 33 HB2 CYS 33 0.589 -3.088 -3.088
220 2HB CYS 33 HB1 CYS 33 0.385 -2.186 -2.186
221 H PHE 34 HN PHE 34 -2.677 -0.366 -0.366
222 HA PHE 34 HA PHE 34 -2.051 0.578 0.578
223 1HB PHE 34 HB2 PHE 34 -4.333 0.852 0.852
224 2HB PHE 34 HB1 PHE 34 -3.629 1.938 1.938
225 HD1 PHE 34 HD1 PHE 34 -2.624 4.101 4.101
226 HD2 PHE 34 HD2 PHE 34 -4.669 1.550 1.550
227 HE1 PHE 34 HE1 PHE 34 -2.786 5.986 5.986
228 HE2 PHE 34 HE2 PHE 34 -4.830 3.435 3.435
229 HZ PHE 34 HZ PHE 34 -3.891 5.652 5.652
230 H ASP 35 HN ASP 35 -0.941 2.602 2.602
231 HA ASP 35 HA ASP 35 0.256 4.071 4.071
232 1HB ASP 35 HB2 ASP 35 1.699 2.025 2.025
233 2HB ASP 35 HB1 ASP 35 2.095 2.413 2.413
234 H ASP 36 HN ASP 36 0.167 6.133 6.133
235 HA ASP 36 HA ASP 36 0.730 6.497 6.497
236 1HB ASP 36 HB2 ASP 36 -0.790 8.475 8.475
237 2HB ASP 36 HB1 ASP 36 -1.619 6.955 6.955
238 H THR 37 HN THR 37 2.924 6.507 6.507
239 HA THR 37 HA THR 37 3.418 9.323 9.323
240 HB THR 37 HB THR 37 5.647 8.145 8.145
241 HG1 THR 37 HG1 THR 37 4.263 6.136 6.136
242 1HG2 THR 37 HG21 THR 37 2.922 8.282 8.282
243 2HG2 THR 37 HG23 THR 37 4.139 7.343 7.343
244 3HG2 THR 37 HG22 THR 37 4.420 9.050 9.050
245 H VAL 38 HN VAL 38 4.048 7.053 7.053
246 HA VAL 38 HA VAL 38 6.076 8.920 8.920
247 HB VAL 38 HB VAL 38 6.084 5.904 5.904
248 1HG1 VAL 38 HG13 VAL 38 7.713 8.168 8.168
249 2HG1 VAL 38 HG12 VAL 38 8.536 6.654 6.654
250 3HG1 VAL 38 HG11 VAL 38 7.211 6.674 6.674
251 1HG2 VAL 38 HG22 VAL 38 7.520 7.774 7.774
252 2HG2 VAL 38 HG21 VAL 38 6.751 6.227 6.227
253 3HG2 VAL 38 HG23 VAL 38 8.288 6.271 6.271
254 H ARG 39 HN ARG 39 6.170 8.864 8.864
255 HA ARG 39 HA ARG 39 3.505 8.188 8.188
256 1HB ARG 39 HB2 ARG 39 5.511 10.342 10.342
257 2HB ARG 39 HB1 ARG 39 4.180 9.909 9.909
258 1HG ARG 39 HG2 ARG 39 2.602 10.314 10.314
259 2HG ARG 39 HG1 ARG 39 3.972 10.949 10.949
260 1HD ARG 39 HD2 ARG 39 4.351 12.651 12.651
261 2HD ARG 39 HD1 ARG 39 2.989 12.016 12.016
262 HE ARG 39 HE ARG 39 1.512 12.944 12.944
263 1HH1 ARG 39 HH21 ARG 39 4.868 13.343 13.343
264 2HH1 ARG 39 HH22 ARG 39 4.547 14.514 14.514
265 1HH2 ARG 39 HH11 ARG 39 1.115 14.480 14.480
266 2HH2 ARG 39 HH12 ARG 39 2.431 15.155 15.155
267 H GLY 40 HN GLY 40 3.610 7.624 7.624
268 1HA GLY 40 HA2 GLY 40 4.572 6.479 6.479
269 2HA GLY 40 HA1 GLY 40 6.132 6.569 6.569
270 H VAL 41 HN VAL 41 5.424 5.387 5.387
271 HA VAL 41 HA VAL 41 5.395 2.589 2.589
272 HB VAL 41 HB VAL 41 5.667 2.218 2.218
273 1HG1 VAL 41 HG11 VAL 41 7.438 4.066 4.066
274 2HG1 VAL 41 HG13 VAL 41 7.827 3.734 3.734
275 3HG1 VAL 41 HG12 VAL 41 7.741 2.410 2.410
276 1HG2 VAL 41 HG22 VAL 41 4.317 4.220 4.220
277 2HG2 VAL 41 HG21 VAL 41 5.888 4.143 4.143
278 3HG2 VAL 41 HG23 VAL 41 5.639 5.249 5.249
279 HA PRO 42 HA PRO 42 1.110 1.825 1.825
280 1HB PRO 42 HB2 PRO 42 1.330 -0.742 -0.742
281 2HB PRO 42 HB1 PRO 42 1.295 -0.344 -0.344
282 1HG PRO 42 HG2 PRO 42 3.469 -1.402 -1.402
283 2HG PRO 42 HG1 PRO 42 3.434 -0.982 -0.982
284 1HD PRO 42 HD2 PRO 42 4.550 0.536 0.536
285 2HD PRO 42 HD1 PRO 42 4.900 0.677 0.677
286 H TRP 43 HN TRP 43 -0.154 2.565 2.565
287 HA TRP 43 HA TRP 43 0.960 2.779 2.779
288 1HB TRP 43 HB2 TRP 43 -1.875 3.282 3.282
289 2HB TRP 43 HB1 TRP 43 -1.183 3.821 3.821
290 HD1 TRP 43 HD1 TRP 43 1.691 4.640 4.640
291 HE1 TRP 43 HE1 TRP 43 1.743 6.888 6.888
292 HE3 TRP 43 HE3 TRP 43 -3.315 5.388 5.388
293 HZ2 TRP 43 HZ2 TRP 43 -0.092 8.758 8.758
294 HZ3 TRP 43 HZ3 TRP 43 -4.135 7.410 7.410
295 HH2 TRP 43 HH2 TRP 43 -2.530 9.095 9.095
296 H CYS 44 HN CYS 44 -1.476 0.691 0.691
297 HA CYS 44 HA CYS 44 -1.999 -0.664 -0.664
298 1HB CYS 44 HB2 CYS 44 -3.737 -0.149 -0.149
299 2HB CYS 44 HB1 CYS 44 -3.028 -1.533 -1.533
300 H PHE 45 HN PHE 45 -0.519 -2.197 -2.197
301 HA PHE 45 HA PHE 45 0.415 -4.101 -4.101
302 1HB PHE 45 HB2 PHE 45 2.719 -3.973 -3.973
303 2HB PHE 45 HB1 PHE 45 2.190 -2.389 -2.389
304 HD1 PHE 45 HD2 PHE 45 1.022 -0.896 -0.896
305 HD2 PHE 45 HD1 PHE 45 3.774 -4.107 -4.107
306 HE1 PHE 45 HE2 PHE 45 1.538 0.057 0.057
307 HE2 PHE 45 HE1 PHE 45 4.293 -3.154 -3.154
308 HZ PHE 45 HZ PHE 45 3.174 -1.072 -1.072
309 H TYR 46 HN TYR 46 1.578 -6.021 -6.021
310 HA TYR 46 HA TYR 46 -0.212 -7.001 -7.001
311 1HB TYR 46 HB2 TYR 46 2.219 -8.109 -8.109
312 2HB TYR 46 HB1 TYR 46 1.445 -8.977 -8.977
313 HD1 TYR 46 HD2 TYR 46 1.067 -7.760 -7.760
314 HD2 TYR 46 HD1 TYR 46 -0.805 -9.902 -9.902
315 HE1 TYR 46 HE2 TYR 46 -0.657 -8.608 -8.608
316 HE2 TYR 46 HE1 TYR 46 -2.529 -10.750 -10.750
317 HH TYR 46 HH TYR 46 -2.495 -9.824 -9.824
318 HA PRO 47 HA PRO 47 2.389 -6.165 -6.165
319 1HB PRO 47 HB2 PRO 47 1.750 -8.400 -8.400
320 2HB PRO 47 HB1 PRO 47 0.765 -6.938 -6.938
321 1HG PRO 47 HG2 PRO 47 0.141 -9.553 -9.553
322 2HG PRO 47 HG1 PRO 47 -0.803 -8.071 -8.071
323 1HD PRO 47 HD2 PRO 47 1.017 -9.432 -9.432
324 2HD PRO 47 HD1 PRO 47 -0.338 -8.329 -8.329
325 H ASN 48 HN ASN 48 4.071 -7.239 -7.239
326 HA ASN 48 HA ASN 48 5.479 -9.516 -9.516
327 1HB ASN 48 HB2 ASN 48 6.430 -6.700 -6.700
328 2HB ASN 48 HB1 ASN 48 7.615 -7.920 -7.920
329 1HD2 ASN 48 HD22 ASN 48 8.114 -8.939 -8.939
330 2HD2 ASN 48 HD21 ASN 48 8.708 -8.836 -8.836
331 H THR 49 HN THR 49 5.469 -10.832 -10.832
332 HA THR 49 HA THR 49 5.689 -9.741 -9.741
333 HB THR 49 HB THR 49 5.828 -12.192 -12.192
334 HG1 THR 49 HG1 THR 49 6.699 -12.608 -12.608
335 1HG2 THR 49 HG23 THR 49 3.624 -10.896 -10.896
336 2HG2 THR 49 HG22 THR 49 3.475 -12.624 -12.624
337 3HG2 THR 49 HG21 THR 49 3.643 -11.489 -11.489
338 H ILE 50 HN ILE 50 7.761 -8.600 -8.600
339 HA ILE 50 HA ILE 50 10.128 -10.319 -10.319
340 HB ILE 50 HB ILE 50 9.964 -7.318 -7.318
341 1HG1 ILE 50 HG12 ILE 50 10.434 -8.780 -8.780
342 2HG1 ILE 50 HG11 ILE 50 8.818 -8.299 -8.299
343 1HG2 ILE 50 HG21 ILE 50 12.148 -9.288 -9.288
344 2HG2 ILE 50 HG23 ILE 50 12.258 -7.757 -7.757
345 3HG2 ILE 50 HG22 ILE 50 12.178 -7.769 -7.769
346 1HD1 ILE 50 HD11 ILE 50 11.041 -6.278 -6.278
347 2HD1 ILE 50 HD13 ILE 50 10.225 -6.669 -6.669
348 3HD1 ILE 50 HD12 ILE 50 9.304 -6.019 -6.019
349 H ASP 51 HN ASP 51 11.971 -9.877 -9.877
350 HA ASP 51 HA ASP 51 10.937 -10.354 -10.354
351 1HB ASP 51 HB2 ASP 51 13.361 -10.390 -10.390
352 2HB ASP 51 HB1 ASP 51 12.978 -11.475 -11.475
353 H VAL 52 HN VAL 52 12.325 -9.006 -9.006
354 HA VAL 52 HA VAL 52 12.390 -6.160 -6.160
355 HB VAL 52 HB VAL 52 10.917 -5.601 -5.601
356 1HG1 VAL 52 HG13 VAL 52 10.090 -5.727 -5.727
357 2HG1 VAL 52 HG12 VAL 52 9.581 -7.386 -7.386
358 3HG1 VAL 52 HG11 VAL 52 8.841 -6.052 -6.052
359 1HG2 VAL 52 HG23 VAL 52 10.876 -8.579 -8.579
360 2HG2 VAL 52 HG22 VAL 52 10.770 -7.381 -7.381
361 3HG2 VAL 52 HG21 VAL 52 9.352 -7.746 -7.746
362 HA PRO 53 HA PRO 53 16.080 -7.202 -7.202
363 1HB PRO 53 HB2 PRO 53 16.832 -4.432 -4.432
364 2HB PRO 53 HB1 PRO 53 17.581 -5.846 -5.846
365 1HG PRO 53 HG2 PRO 53 15.833 -3.868 -3.868
366 2HG PRO 53 HG1 PRO 53 16.782 -5.134 -5.134
367 1HD PRO 53 HD2 PRO 53 14.015 -5.105 -5.105
368 2HD PRO 53 HD1 PRO 53 14.999 -6.534 -6.534
369 HA PRO 54 HA PRO 54 15.033 -5.169 -5.169
370 1HB PRO 54 HB2 PRO 54 17.572 -4.706 -4.706
371 2HB PRO 54 HB1 PRO 54 16.706 -6.250 -6.250
372 1HG PRO 54 HG2 PRO 54 19.086 -5.623 -5.623
373 2HG PRO 54 HG1 PRO 54 18.174 -7.141 -7.141
374 1HD PRO 54 HD2 PRO 54 18.174 -4.936 -4.936
375 2HD PRO 54 HD1 PRO 54 17.740 -6.645 -6.645
376 H GLU 55 HN GLU 55 15.026 -3.240 -3.240
377 HA GLU 55 HA GLU 55 16.241 -0.875 -0.875
378 1HB GLU 55 HB2 GLU 55 15.395 -1.237 -1.237
379 2HB GLU 55 HB1 GLU 55 16.159 0.199 0.199
380 1HG GLU 55 HG2 GLU 55 18.208 -0.921 -0.921
381 2HG GLU 55 HG1 GLU 55 17.467 -2.511 -2.511
382 H GLU 56 HN GLU 56 14.751 0.354 0.354
383 HA GLU 56 HA GLU 56 12.012 0.479 0.479
384 1HB GLU 56 HB2 GLU 56 12.785 0.441 0.441
385 2HB GLU 56 HB1 GLU 56 11.146 0.587 0.587
386 1HG GLU 56 HG2 GLU 56 11.326 -1.618 -1.618
387 2HG GLU 56 HG1 GLU 56 12.995 -1.764 -1.764
388 H GLU 57 HN GLU 57 11.180 2.547 2.547
389 HA GLU 57 HA GLU 57 12.426 4.751 4.751
390 1HB GLU 57 HB2 GLU 57 12.306 4.666 4.666
391 2HB GLU 57 HB1 GLU 57 12.824 6.046 6.046
392 1HG GLU 57 HG2 GLU 57 14.567 4.475 4.475
393 2HG GLU 57 HG1 GLU 57 14.176 3.358 3.358
394 H SER 58 HN SER 58 10.607 5.633 5.633
395 HA SER 58 HA SER 58 8.047 5.513 5.513
396 1HB SER 58 HB2 SER 58 7.178 6.587 6.587
397 2HB SER 58 HB1 SER 58 8.274 5.293 5.293
398 HG SER 58 HG SER 58 8.426 7.935 7.935
399 H GLU 59 HN GLU 59 7.720 6.914 6.914
400 HA GLU 59 HA GLU 59 8.315 9.766 9.766
401 1HB GLU 59 HB2 GLU 59 10.080 8.457 8.457
402 2HB GLU 59 HB1 GLU 59 8.847 8.598 8.598
403 1HG GLU 59 HG2 GLU 59 8.891 10.968 10.968
404 2HG GLU 59 HG1 GLU 59 9.745 10.990 10.990
405 H PHE 60 HN PHE 60 7.166 11.145 11.145
406 HA PHE 60 HA PHE 60 4.428 10.195 10.195
407 1HB PHE 60 HB2 PHE 60 5.845 12.754 12.754
408 2HB PHE 60 HB1 PHE 60 4.161 12.464 12.464
409 HD1 PHE 60 HD1 PHE 60 2.646 11.542 11.542
410 HD2 PHE 60 HD2 PHE 60 6.281 13.774 13.774
411 HE1 PHE 60 HE1 PHE 60 1.932 12.193 12.193
412 HE2 PHE 60 HE2 PHE 60 5.568 14.425 14.425
413 HZ PHE 60 HZ PHE 60 3.393 13.634 13.634
Start of MODEL 18
1 1H GLU 1 HT1 GLU 1 15.334 -7.790 -7.790
2 2H GLU 1 HT3 GLU 1 15.503 -8.353 -8.353
3 3H GLU 1 HT2 GLU 1 16.351 -9.110 -9.110
4 HA GLU 1 HA GLU 1 14.421 -10.004 -10.004
5 1HB GLU 1 HB2 GLU 1 15.393 -10.960 -10.960
6 2HB GLU 1 HB1 GLU 1 13.968 -10.250 -10.250
7 1HG GLU 1 HG2 GLU 1 12.620 -11.473 -11.473
8 2HG GLU 1 HG1 GLU 1 14.090 -12.415 -12.415
9 H ALA 2 HN ALA 2 13.096 -8.250 -8.250
10 HA ALA 2 HA ALA 2 10.958 -7.374 -7.374
11 1HB ALA 2 HB3 ALA 2 12.328 -6.026 -6.026
12 2HB ALA 2 HB2 ALA 2 10.673 -5.576 -5.576
13 3HB ALA 2 HB1 ALA 2 11.964 -5.389 -5.389
14 H GLN 3 HN GLN 3 8.816 -7.758 -7.758
15 HA GLN 3 HA GLN 3 8.422 -9.111 -9.111
16 1HB GLN 3 HB2 GLN 3 7.057 -9.679 -9.679
17 2HB GLN 3 HB1 GLN 3 6.650 -10.445 -10.445
18 1HG GLN 3 HG2 GLN 3 8.131 -12.018 -12.018
19 2HG GLN 3 HG1 GLN 3 9.275 -10.950 -10.950
20 1HE2 GLN 3 HE22 GLN 3 9.254 -11.157 -11.157
21 2HE2 GLN 3 HE21 GLN 3 8.040 -11.926 -11.926
22 H THR 4 HN THR 4 7.368 -7.605 -7.605
23 HA THR 4 HA THR 4 4.815 -6.571 -6.571
24 HB THR 4 HB THR 4 5.469 -4.212 -4.212
25 HG1 THR 4 HG1 THR 4 7.891 -4.016 -4.016
26 1HG2 THR 4 HG22 THR 4 5.409 -5.126 -5.126
27 2HG2 THR 4 HG21 THR 4 7.153 -5.359 -5.359
28 3HG2 THR 4 HG23 THR 4 6.470 -3.737 -3.737
29 H GLU 5 HN GLU 5 3.594 -5.503 -5.503
30 HA GLU 5 HA GLU 5 3.898 -6.957 -6.957
31 1HB GLU 5 HB2 GLU 5 2.276 -4.471 -4.471
32 2HB GLU 5 HB1 GLU 5 2.108 -5.442 -5.442
33 1HG GLU 5 HG2 GLU 5 1.315 -7.327 -7.327
34 2HG GLU 5 HG1 GLU 5 1.843 -6.654 -6.654
35 H THR 6 HN THR 6 4.397 -6.008 -6.008
36 HA THR 6 HA THR 6 5.802 -3.433 -3.433
37 HB THR 6 HB THR 6 7.194 -5.882 -5.882
38 HG1 THR 6 HG1 THR 6 8.306 -4.914 -4.914
39 1HG2 THR 6 HG22 THR 6 7.946 -3.021 -3.021
40 2HG2 THR 6 HG21 THR 6 9.171 -4.278 -4.278
41 3HG2 THR 6 HG23 THR 6 8.091 -3.902 -3.902
42 H CYS 7 HN CYS 7 4.920 -2.359 -2.359
43 HA CYS 7 HA CYS 7 4.160 -3.947 -3.947
44 1HB CYS 7 HB2 CYS 7 3.200 -1.252 -1.252
45 2HB CYS 7 HB1 CYS 7 2.751 -1.932 -1.932
46 H THR 8 HN THR 8 6.343 -1.533 -1.533
47 HA THR 8 HA THR 8 6.885 -0.192 -0.192
48 HB THR 8 HB THR 8 7.547 0.849 0.849
49 HG1 THR 8 HG1 THR 8 9.853 -0.085 -0.085
50 1HG2 THR 8 HG23 THR 8 8.199 -1.737 -1.737
51 2HG2 THR 8 HG22 THR 8 9.765 -0.937 -0.937
52 3HG2 THR 8 HG21 THR 8 8.519 -0.260 -0.260
53 H VAL 9 HN VAL 9 7.377 -1.536 -1.536
54 HA VAL 9 HA VAL 9 9.691 -3.360 -3.360
55 HB VAL 9 HB VAL 9 7.390 -3.688 -3.688
56 1HG1 VAL 9 HG13 VAL 9 9.862 -5.281 -5.281
57 2HG1 VAL 9 HG12 VAL 9 8.435 -6.069 -6.069
58 3HG1 VAL 9 HG11 VAL 9 9.255 -4.796 -4.796
59 1HG2 VAL 9 HG21 VAL 9 6.722 -3.988 -3.988
60 2HG2 VAL 9 HG23 VAL 9 6.623 -5.483 -5.483
61 3HG2 VAL 9 HG22 VAL 9 7.981 -5.214 -5.214
62 H ALA 10 HN ALA 10 10.807 -3.774 -3.774
63 HA ALA 10 HA ALA 10 11.645 -1.253 -1.253
64 1HB ALA 10 HB1 ALA 10 12.202 -4.114 -4.114
65 2HB ALA 10 HB3 ALA 10 12.551 -2.967 -2.967
66 3HB ALA 10 HB2 ALA 10 13.325 -2.784 -2.784
67 HA PRO 11 HA PRO 11 8.323 -0.094 -0.094
68 1HB PRO 11 HB2 PRO 11 10.437 0.588 0.588
69 2HB PRO 11 HB1 PRO 11 9.223 1.630 1.630
70 1HG PRO 11 HG2 PRO 11 11.973 1.342 1.342
71 2HG PRO 11 HG1 PRO 11 10.753 2.373 2.373
72 1HD PRO 11 HD2 PRO 11 11.969 0.168 0.168
73 2HD PRO 11 HD1 PRO 11 10.460 0.929 0.929
74 H ARG 12 HN ARG 12 11.182 -1.696 -1.696
75 HA ARG 12 HA ARG 12 9.644 -2.810 -2.810
76 1HB ARG 12 HB2 ARG 12 12.331 -3.711 -3.711
77 2HB ARG 12 HB1 ARG 12 11.665 -4.070 -4.070
78 1HG ARG 12 HG2 ARG 12 12.910 -2.237 -2.237
79 2HG ARG 12 HG1 ARG 12 11.473 -1.377 -1.377
80 1HD ARG 12 HD2 ARG 12 12.473 -0.676 -0.676
81 2HD ARG 12 HD1 ARG 12 13.510 -2.098 -2.098
82 HE ARG 12 HE ARG 12 15.118 -0.920 -0.920
83 1HH1 ARG 12 HH11 ARG 12 11.974 0.514 0.514
84 2HH1 ARG 12 HH12 ARG 12 12.577 1.860 1.860
85 1HH2 ARG 12 HH21 ARG 12 15.887 0.853 0.853
86 2HH2 ARG 12 HH22 ARG 12 14.784 2.049 2.049
87 H GLU 13 HN GLU 13 10.765 -4.053 -4.053
88 HA GLU 13 HA GLU 13 9.653 -6.687 -6.687
89 1HB GLU 13 HB2 GLU 13 10.680 -5.445 -5.445
90 2HB GLU 13 HB1 GLU 13 10.328 -7.155 -7.155
91 1HG GLU 13 HG2 GLU 13 11.982 -6.778 -6.778
92 2HG GLU 13 HG1 GLU 13 12.607 -5.520 -5.520
93 H ARG 14 HN ARG 14 7.828 -4.301 -4.301
94 HA ARG 14 HA ARG 14 6.080 -4.838 -4.838
95 1HB ARG 14 HB2 ARG 14 6.206 -2.616 -2.616
96 2HB ARG 14 HB1 ARG 14 4.799 -2.840 -2.840
97 1HG ARG 14 HG2 ARG 14 6.680 -2.956 -2.956
98 2HG ARG 14 HG1 ARG 14 7.568 -1.985 -1.985
99 1HD ARG 14 HD2 ARG 14 5.788 -0.334 -0.334
100 2HD ARG 14 HD1 ARG 14 4.772 -1.337 -1.337
101 HE ARG 14 HE ARG 14 7.057 -0.961 -0.961
102 1HH1 ARG 14 HH11 ARG 14 4.783 1.123 1.123
103 2HH1 ARG 14 HH12 ARG 14 4.994 2.435 2.435
104 1HH2 ARG 14 HH21 ARG 14 7.318 0.772 0.772
105 2HH2 ARG 14 HH22 ARG 14 6.422 2.237 2.237
106 H GLN 15 HN GLN 15 4.445 -6.294 -6.294
107 HA GLN 15 HA GLN 15 3.779 -7.190 -7.190
108 1HB GLN 15 HB2 GLN 15 2.498 -7.875 -7.875
109 2HB GLN 15 HB1 GLN 15 2.277 -8.747 -8.747
110 1HG GLN 15 HG2 GLN 15 4.951 -8.376 -8.376
111 2HG GLN 15 HG1 GLN 15 3.958 -9.827 -9.827
112 1HE2 GLN 15 HE22 GLN 15 6.466 -9.732 -9.732
113 2HE2 GLN 15 HE21 GLN 15 6.662 -8.985 -8.985
114 H ASN 16 HN ASN 16 2.287 -6.191 -6.191
115 HA ASN 16 HA ASN 16 0.730 -4.000 -4.000
116 1HB ASN 16 HB2 ASN 16 1.469 -4.722 -4.722
117 2HB ASN 16 HB1 ASN 16 -0.038 -5.638 -5.638
118 1HD2 ASN 16 HD22 ASN 16 -1.309 -2.529 -2.529
119 2HD2 ASN 16 HD21 ASN 16 -0.684 -4.034 -4.034
120 H CYS 17 HN CYS 17 -1.091 -4.039 -4.039
121 HA CYS 17 HA CYS 17 -2.570 -6.571 -6.571
122 1HB CYS 17 HB2 CYS 17 -1.900 -5.280 -5.280
123 2HB CYS 17 HB1 CYS 17 -2.906 -3.943 -3.943
124 H GLY 18 HN GLY 18 -2.772 -3.471 -3.471
125 1HA GLY 18 HA2 GLY 18 -5.029 -4.170 -4.170
126 2HA GLY 18 HA1 GLY 18 -5.569 -3.159 -3.159
127 H PHE 19 HN PHE 19 -5.998 -1.971 -1.971
128 HA PHE 19 HA PHE 19 -3.784 -0.580 -0.580
129 1HB PHE 19 HB2 PHE 19 -5.607 0.990 0.990
130 2HB PHE 19 HB1 PHE 19 -5.738 -0.703 -0.703
131 HD1 PHE 19 HD2 PHE 19 -7.336 -2.212 -2.212
132 HD2 PHE 19 HD1 PHE 19 -7.321 2.055 2.055
133 HE1 PHE 19 HE2 PHE 19 -9.614 -2.317 -2.317
134 HE2 PHE 19 HE1 PHE 19 -9.607 1.947 1.947
135 HZ PHE 19 HZ PHE 19 -10.748 -0.238 -0.238
136 HA PRO 20 HA PRO 20 -3.230 2.749 2.749
137 1HB PRO 20 HB2 PRO 20 -2.666 4.840 4.840
138 2HB PRO 20 HB1 PRO 20 -1.516 3.620 3.620
139 1HG PRO 20 HG2 PRO 20 -2.568 3.976 3.976
140 2HG PRO 20 HG1 PRO 20 -1.400 2.772 2.772
141 1HD PRO 20 HD2 PRO 20 -4.262 2.453 2.453
142 2HD PRO 20 HD1 PRO 20 -3.011 1.210 1.210
143 H GLY 21 HN GLY 21 -5.513 3.434 3.434
144 1HA GLY 21 HA2 GLY 21 -6.598 5.846 5.846
145 2HA GLY 21 HA1 GLY 21 -7.471 4.668 4.668
146 H VAL 22 HN VAL 22 -6.621 2.766 2.766
147 HA VAL 22 HA VAL 22 -9.180 2.712 2.712
148 HB VAL 22 HB VAL 22 -8.062 1.326 1.326
149 1HG1 VAL 22 HG13 VAL 22 -8.823 0.401 0.401
150 2HG1 VAL 22 HG12 VAL 22 -7.172 0.605 0.605
151 3HG1 VAL 22 HG11 VAL 22 -7.504 -0.503 -0.503
152 1HG2 VAL 22 HG23 VAL 22 -5.639 2.384 2.384
153 2HG2 VAL 22 HG22 VAL 22 -5.913 2.182 2.182
154 3HG2 VAL 22 HG21 VAL 22 -5.582 0.776 0.776
155 H THR 23 HN THR 23 -9.060 2.814 2.814
156 HA THR 23 HA THR 23 -7.771 5.347 5.347
157 HB THR 23 HB THR 23 -10.032 5.935 5.935
158 HG1 THR 23 HG1 THR 23 -11.770 4.932 4.932
159 1HG2 THR 23 HG23 THR 23 -9.622 6.065 6.065
160 2HG2 THR 23 HG22 THR 23 -10.845 6.993 6.993
161 3HG2 THR 23 HG21 THR 23 -9.134 7.271 7.271
162 HA PRO 24 HA PRO 24 -6.615 3.633 3.633
163 1HB PRO 24 HB2 PRO 24 -8.414 5.443 5.443
164 2HB PRO 24 HB1 PRO 24 -6.647 5.357 5.357
165 1HG PRO 24 HG2 PRO 24 -8.337 7.183 7.183
166 2HG PRO 24 HG1 PRO 24 -6.571 7.167 7.167
167 1HD PRO 24 HD2 PRO 24 -7.974 6.625 6.625
168 2HD PRO 24 HD1 PRO 24 -6.323 6.060 6.060
169 H SER 25 HN SER 25 -10.110 4.294 4.294
170 HA SER 25 HA SER 25 -10.951 2.420 2.420
171 1HB SER 25 HB2 SER 25 -12.295 4.390 4.390
172 2HB SER 25 HB1 SER 25 -12.586 3.405 3.405
173 HG SER 25 HG SER 25 -13.165 2.647 2.647
174 H GLN 26 HN GLN 26 -10.800 2.321 2.321
175 HA GLN 26 HA GLN 26 -11.802 -0.310 -0.310
176 1HB GLN 26 HB2 GLN 26 -10.098 1.499 1.499
177 2HB GLN 26 HB1 GLN 26 -10.319 -0.182 -0.182
178 1HG GLN 26 HG2 GLN 26 -12.828 0.209 0.209
179 2HG GLN 26 HG1 GLN 26 -12.450 1.929 1.929
180 1HE2 GLN 26 HE22 GLN 26 -13.037 0.805 0.805
181 2HE2 GLN 26 HE21 GLN 26 -13.906 0.455 0.455
182 H CYS 27 HN CYS 27 -8.439 0.909 0.909
183 HA CYS 27 HA CYS 27 -7.197 -1.641 -1.641
184 1HB CYS 27 HB2 CYS 27 -6.130 0.710 0.710
185 2HB CYS 27 HB1 CYS 27 -6.119 0.653 0.653
186 H ALA 28 HN ALA 28 -8.657 0.139 0.139
187 HA ALA 28 HA ALA 28 -7.683 -1.789 -1.789
188 1HB ALA 28 HB2 ALA 28 -8.128 0.745 0.745
189 2HB ALA 28 HB1 ALA 28 -9.824 0.273 0.273
190 3HB ALA 28 HB3 ALA 28 -8.643 -0.378 -0.378
191 H ASN 29 HN ASN 29 -10.143 -1.798 -1.798
192 HA ASN 29 HA ASN 29 -12.148 -3.117 -3.117
193 1HB ASN 29 HB2 ASN 29 -12.544 -1.569 -1.569
194 2HB ASN 29 HB1 ASN 29 -12.208 -3.025 -3.025
195 1HD2 ASN 29 HD22 ASN 29 -15.898 -2.804 -2.804
196 2HD2 ASN 29 HD21 ASN 29 -14.824 -1.692 -1.692
197 H LYS 30 HN LYS 30 -9.465 -3.991 -3.991
198 HA LYS 30 HA LYS 30 -10.385 -6.796 -6.796
199 1HB LYS 30 HB2 LYS 30 -9.613 -5.713 -5.713
200 2HB LYS 30 HB1 LYS 30 -8.019 -5.515 -5.515
201 1HG LYS 30 HG2 LYS 30 -7.703 -7.541 -7.541
202 2HG LYS 30 HG1 LYS 30 -8.315 -8.116 -8.116
203 1HD LYS 30 HD2 LYS 30 -9.768 -9.259 -9.259
204 2HD LYS 30 HD1 LYS 30 -10.662 -7.742 -7.742
205 1HE LYS 30 HE2 LYS 30 -10.594 -7.944 -7.944
206 2HE LYS 30 HE1 LYS 30 -9.070 -7.094 -7.094
207 1HZ LYS 30 HZ3 LYS 30 -9.184 -10.016 -10.016
208 2HZ LYS 30 HZ2 LYS 30 -9.105 -9.206 -9.206
209 3HZ LYS 30 HZ1 LYS 30 -7.869 -9.003 -9.003
210 H GLY 31 HN GLY 31 -7.789 -4.678 -4.678
211 1HA GLY 31 HA2 GLY 31 -6.774 -5.278 -5.278
212 2HA GLY 31 HA1 GLY 31 -6.833 -6.963 -6.963
213 H CYS 32 HN CYS 32 -5.663 -3.921 -3.921
214 HA CYS 32 HA CYS 32 -3.050 -5.283 -5.283
215 1HB CYS 32 HB2 CYS 32 -4.827 -3.960 -3.960
216 2HB CYS 32 HB1 CYS 32 -3.090 -3.730 -3.730
217 H CYS 33 HN CYS 33 -1.241 -3.993 -3.993
218 HA CYS 33 HA CYS 33 -1.571 -1.681 -1.681
219 1HB CYS 33 HB2 CYS 33 0.890 -2.458 -2.458
220 2HB CYS 33 HB1 CYS 33 0.838 -1.422 -1.422
221 H PHE 34 HN PHE 34 -2.201 0.332 0.332
222 HA PHE 34 HA PHE 34 -1.801 1.084 1.084
223 1HB PHE 34 HB2 PHE 34 -4.105 1.226 1.226
224 2HB PHE 34 HB1 PHE 34 -3.478 2.483 2.483
225 HD1 PHE 34 HD2 PHE 34 -4.307 1.607 1.607
226 HD2 PHE 34 HD1 PHE 34 -2.882 4.683 4.683
227 HE1 PHE 34 HE2 PHE 34 -4.638 3.294 3.294
228 HE2 PHE 34 HE1 PHE 34 -3.212 6.371 6.371
229 HZ PHE 34 HZ PHE 34 -4.090 5.675 5.675
230 H ASP 35 HN ASP 35 -0.096 2.423 2.423
231 HA ASP 35 HA ASP 35 0.709 4.365 4.365
232 1HB ASP 35 HB2 ASP 35 2.205 2.270 2.270
233 2HB ASP 35 HB1 ASP 35 2.715 2.894 2.894
234 H ASP 36 HN ASP 36 0.378 6.350 6.350
235 HA ASP 36 HA ASP 36 0.942 6.642 6.642
236 1HB ASP 36 HB2 ASP 36 -0.566 8.636 8.636
237 2HB ASP 36 HB1 ASP 36 -1.387 7.124 7.124
238 H THR 37 HN THR 37 3.211 6.688 6.688
239 HA THR 37 HA THR 37 3.748 9.517 9.517
240 HB THR 37 HB THR 37 5.844 8.579 8.579
241 HG1 THR 37 HG1 THR 37 4.925 6.402 6.402
242 1HG2 THR 37 HG23 THR 37 3.109 7.674 7.674
243 2HG2 THR 37 HG22 THR 37 4.536 7.231 7.231
244 3HG2 THR 37 HG21 THR 37 4.129 8.931 8.931
245 H VAL 38 HN VAL 38 4.663 6.881 6.881
246 HA VAL 38 HA VAL 38 6.519 8.761 8.761
247 HB VAL 38 HB VAL 38 6.488 5.733 5.733
248 1HG1 VAL 38 HG12 VAL 38 8.068 7.915 7.915
249 2HG1 VAL 38 HG11 VAL 38 8.951 6.473 6.473
250 3HG1 VAL 38 HG13 VAL 38 7.613 6.335 6.335
251 1HG2 VAL 38 HG23 VAL 38 8.255 7.629 7.629
252 2HG2 VAL 38 HG22 VAL 38 7.116 6.461 6.461
253 3HG2 VAL 38 HG21 VAL 38 8.552 5.901 5.901
254 H ARG 39 HN ARG 39 6.411 8.847 8.847
255 HA ARG 39 HA ARG 39 3.754 8.053 8.053
256 1HB ARG 39 HB2 ARG 39 5.805 10.032 10.032
257 2HB ARG 39 HB1 ARG 39 4.268 9.677 9.677
258 1HG ARG 39 HG2 ARG 39 3.128 10.308 10.308
259 2HG ARG 39 HG1 ARG 39 4.693 10.908 10.908
260 1HD ARG 39 HD2 ARG 39 3.822 11.837 11.837
261 2HD ARG 39 HD1 ARG 39 2.897 12.455 12.455
262 HE ARG 39 HE ARG 39 5.534 13.253 13.253
263 1HH1 ARG 39 HH21 ARG 39 3.548 12.442 12.442
264 2HH1 ARG 39 HH22 ARG 39 4.434 13.446 13.446
265 1HH2 ARG 39 HH11 ARG 39 6.680 14.561 14.561
266 2HH2 ARG 39 HH12 ARG 39 6.199 14.639 14.639
267 H GLY 40 HN GLY 40 3.740 7.315 7.315
268 1HA GLY 40 HA2 GLY 40 4.619 6.063 6.063
269 2HA GLY 40 HA1 GLY 40 6.205 6.138 6.138
270 H VAL 41 HN VAL 41 5.253 5.161 5.161
271 HA VAL 41 HA VAL 41 5.232 2.310 2.310
272 HB VAL 41 HB VAL 41 5.509 2.049 2.049
273 1HG1 VAL 41 HG13 VAL 41 7.356 3.986 3.986
274 2HG1 VAL 41 HG12 VAL 41 7.751 3.190 3.190
275 3HG1 VAL 41 HG11 VAL 41 7.506 2.230 2.230
276 1HG2 VAL 41 HG21 VAL 41 4.213 4.182 4.182
277 2HG2 VAL 41 HG23 VAL 41 5.712 3.979 3.979
278 3HG2 VAL 41 HG22 VAL 41 5.660 5.074 5.074
279 HA PRO 42 HA PRO 42 0.935 1.721 1.721
280 1HB PRO 42 HB2 PRO 42 1.098 -0.823 -0.823
281 2HB PRO 42 HB1 PRO 42 1.054 -0.468 -0.468
282 1HG PRO 42 HG2 PRO 42 3.210 -1.553 -1.553
283 2HG PRO 42 HG1 PRO 42 3.179 -1.156 -1.156
284 1HD PRO 42 HD2 PRO 42 4.332 0.375 0.375
285 2HD PRO 42 HD1 PRO 42 4.701 0.463 0.463
286 H TRP 43 HN TRP 43 -0.229 2.618 2.618
287 HA TRP 43 HA TRP 43 0.903 2.796 2.796
288 1HB TRP 43 HB2 TRP 43 -1.894 3.483 3.483
289 2HB TRP 43 HB1 TRP 43 -1.149 4.006 4.006
290 HD1 TRP 43 HD1 TRP 43 1.759 4.653 4.653
291 HE1 TRP 43 HE1 TRP 43 1.989 6.819 6.819
292 HE3 TRP 43 HE3 TRP 43 -3.158 5.555 5.555
293 HZ2 TRP 43 HZ2 TRP 43 0.314 8.690 8.690
294 HZ3 TRP 43 HZ3 TRP 43 -3.809 7.537 7.537
295 HH2 TRP 43 HH2 TRP 43 -2.082 9.105 9.105
296 H CYS 44 HN CYS 44 -1.848 0.984 0.984
297 HA CYS 44 HA CYS 44 -2.312 -0.358 -0.358
298 1HB CYS 44 HB2 CYS 44 -4.155 0.360 0.360
299 2HB CYS 44 HB1 CYS 44 -3.626 -0.966 -0.966
300 H PHE 45 HN PHE 45 -0.839 -1.967 -1.967
301 HA PHE 45 HA PHE 45 -0.401 -4.029 -4.029
302 1HB PHE 45 HB2 PHE 45 1.988 -4.137 -4.137
303 2HB PHE 45 HB1 PHE 45 1.569 -2.511 -2.511
304 HD1 PHE 45 HD2 PHE 45 0.893 -0.858 -0.858
305 HD2 PHE 45 HD1 PHE 45 3.283 -4.388 -4.388
306 HE1 PHE 45 HE2 PHE 45 1.836 0.055 0.055
307 HE2 PHE 45 HE1 PHE 45 4.230 -3.484 -3.484
308 HZ PHE 45 HZ PHE 45 3.505 -1.256 -1.256
309 H TYR 46 HN TYR 46 0.869 -5.975 -5.975
310 HA TYR 46 HA TYR 46 -0.863 -6.724 -6.724
311 1HB TYR 46 HB2 TYR 46 1.425 -8.083 -8.083
312 2HB TYR 46 HB1 TYR 46 0.617 -8.813 -8.813
313 HD1 TYR 46 HD2 TYR 46 -1.806 -9.368 -9.368
314 HD2 TYR 46 HD1 TYR 46 0.347 -7.943 -7.943
315 HE1 TYR 46 HE2 TYR 46 -3.637 -10.155 -10.155
316 HE2 TYR 46 HE1 TYR 46 -1.486 -8.727 -8.727
317 HH TYR 46 HH TYR 46 -3.656 -9.430 -9.430
318 HA PRO 47 HA PRO 47 2.023 -5.866 -5.866
319 1HB PRO 47 HB2 PRO 47 1.167 -7.775 -7.775
320 2HB PRO 47 HB1 PRO 47 0.301 -6.272 -6.272
321 1HG PRO 47 HG2 PRO 47 -0.504 -8.956 -8.956
322 2HG PRO 47 HG1 PRO 47 -1.376 -7.452 -7.452
323 1HD PRO 47 HD2 PRO 47 0.281 -9.096 -9.096
324 2HD PRO 47 HD1 PRO 47 -1.001 -7.926 -7.926
325 H ASN 48 HN ASN 48 3.711 -6.886 -6.886
326 HA ASN 48 HA ASN 48 4.684 -9.515 -9.515
327 1HB ASN 48 HB2 ASN 48 6.029 -6.899 -6.899
328 2HB ASN 48 HB1 ASN 48 7.046 -8.250 -8.250
329 1HD2 ASN 48 HD22 ASN 48 6.648 -8.293 -8.293
330 2HD2 ASN 48 HD21 ASN 48 7.189 -7.120 -7.120
331 H THR 49 HN THR 49 3.950 -9.995 -9.995
332 HA THR 49 HA THR 49 5.215 -8.653 -8.653
333 HB THR 49 HB THR 49 4.249 -10.635 -10.635
334 HG1 THR 49 HG1 THR 49 3.922 -11.438 -11.438
335 1HG2 THR 49 HG23 THR 49 3.061 -8.480 -8.480
336 2HG2 THR 49 HG22 THR 49 2.369 -9.076 -9.076
337 3HG2 THR 49 HG21 THR 49 1.943 -9.845 -9.845
338 H ILE 50 HN ILE 50 7.295 -8.987 -8.987
339 HA ILE 50 HA ILE 50 8.654 -11.449 -11.449
340 HB ILE 50 HB ILE 50 9.834 -8.956 -8.956
341 1HG1 ILE 50 HG12 ILE 50 9.819 -9.738 -9.738
342 2HG1 ILE 50 HG11 ILE 50 8.663 -8.605 -8.605
343 1HG2 ILE 50 HG22 ILE 50 11.189 -11.036 -11.036
344 2HG2 ILE 50 HG21 ILE 50 11.103 -11.219 -11.219
345 3HG2 ILE 50 HG23 ILE 50 11.948 -9.839 -9.839
346 1HD1 ILE 50 HD11 ILE 50 10.819 -7.421 -7.421
347 2HD1 ILE 50 HD13 ILE 50 11.628 -8.298 -8.298
348 3HD1 ILE 50 HD12 ILE 50 10.337 -7.159 -7.159
349 H ASP 51 HN ASP 51 9.527 -12.925 -12.925
350 HA ASP 51 HA ASP 51 9.658 -12.286 -12.286
351 1HB ASP 51 HB2 ASP 51 7.331 -13.752 -13.752
352 2HB ASP 51 HB1 ASP 51 8.033 -14.403 -14.403
353 H VAL 52 HN VAL 52 10.181 -14.448 -14.448
354 HA VAL 52 HA VAL 52 12.335 -15.726 -15.726
355 HB VAL 52 HB VAL 52 12.641 -16.985 -16.985
356 1HG1 VAL 52 HG13 VAL 52 13.512 -14.602 -14.602
357 2HG1 VAL 52 HG12 VAL 52 12.225 -14.053 -14.053
358 3HG1 VAL 52 HG11 VAL 52 13.484 -15.124 -15.124
359 1HG2 VAL 52 HG21 VAL 52 9.999 -16.630 -16.630
360 2HG2 VAL 52 HG23 VAL 52 11.123 -16.889 -16.889
361 3HG2 VAL 52 HG22 VAL 52 10.602 -15.254 -15.254
362 HA PRO 53 HA PRO 53 10.710 -19.384 -19.384
363 1HB PRO 53 HB2 PRO 53 12.107 -21.077 -21.077
364 2HB PRO 53 HB1 PRO 53 12.330 -20.967 -20.967
365 1HG PRO 53 HG2 PRO 53 13.896 -19.760 -19.760
366 2HG PRO 53 HG1 PRO 53 14.164 -19.721 -19.721
367 1HD PRO 53 HD2 PRO 53 13.478 -17.518 -17.518
368 2HD PRO 53 HD1 PRO 53 13.183 -17.665 -17.665
369 HA PRO 54 HA PRO 54 7.566 -20.152 -20.152
370 1HB PRO 54 HB2 PRO 54 5.438 -19.272 -19.272
371 2HB PRO 54 HB1 PRO 54 6.379 -18.250 -18.250
372 1HG PRO 54 HG2 PRO 54 6.248 -18.112 -18.112
373 2HG PRO 54 HG1 PRO 54 7.190 -17.098 -17.098
374 1HD PRO 54 HD2 PRO 54 8.063 -19.426 -19.426
375 2HD PRO 54 HD1 PRO 54 9.024 -18.087 -18.087
376 H GLU 55 HN GLU 55 4.993 -20.993 -20.993
377 HA GLU 55 HA GLU 55 5.741 -23.526 -23.526
378 1HB GLU 55 HB2 GLU 55 4.474 -23.275 -23.275
379 2HB GLU 55 HB1 GLU 55 3.071 -23.107 -23.107
380 1HG GLU 55 HG2 GLU 55 4.085 -25.223 -25.223
381 2HG GLU 55 HG1 GLU 55 4.906 -25.456 -25.456
382 H GLU 56 HN GLU 56 4.118 -24.408 -24.408
383 HA GLU 56 HA GLU 56 3.060 -22.204 -22.204
384 1HB GLU 56 HB2 GLU 56 3.560 -25.136 -25.136
385 2HB GLU 56 HB1 GLU 56 2.837 -24.013 -24.013
386 1HG GLU 56 HG2 GLU 56 5.476 -23.387 -23.387
387 2HG GLU 56 HG1 GLU 56 5.402 -24.398 -24.398
388 H GLU 57 HN GLU 57 0.908 -21.738 -21.738
389 HA GLU 57 HA GLU 57 -0.958 -23.974 -23.974
390 1HB GLU 57 HB2 GLU 57 -0.302 -22.383 -22.383
391 2HB GLU 57 HB1 GLU 57 -1.515 -21.344 -21.344
392 1HG GLU 57 HG2 GLU 57 -2.940 -22.597 -22.597
393 2HG GLU 57 HG1 GLU 57 -2.840 -23.693 -23.693
394 H SER 58 HN SER 58 -3.335 -23.032 -23.032
395 HA SER 58 HA SER 58 -3.297 -21.058 -21.058
396 1HB SER 58 HB2 SER 58 -4.674 -23.755 -23.755
397 2HB SER 58 HB1 SER 58 -5.059 -22.484 -22.484
398 HG SER 58 HG SER 58 -2.481 -22.644 -22.644
399 H GLU 59 HN GLU 59 -5.273 -19.825 -19.825
400 HA GLU 59 HA GLU 59 -7.341 -20.307 -20.307
401 1HB GLU 59 HB2 GLU 59 -5.324 -18.580 -18.580
402 2HB GLU 59 HB1 GLU 59 -6.456 -17.485 -17.485
403 1HG GLU 59 HG2 GLU 59 -8.172 -17.933 -17.933
404 2HG GLU 59 HG1 GLU 59 -7.406 -19.422 -19.422
405 H PHE 60 HN PHE 60 -9.128 -18.474 -18.474
406 HA PHE 60 HA PHE 60 -9.951 -18.663 -18.663
407 1HB PHE 60 HB2 PHE 60 -11.012 -16.990 -16.990
408 2HB PHE 60 HB1 PHE 60 -11.819 -17.189 -17.189
409 HD1 PHE 60 HD1 PHE 60 -11.709 -19.887 -19.887
410 HD2 PHE 60 HD2 PHE 60 -11.970 -18.280 -18.280
411 HE1 PHE 60 HE1 PHE 60 -12.719 -22.009 -22.009
412 HE2 PHE 60 HE2 PHE 60 -12.980 -20.401 -20.401
413 HZ PHE 60 HZ PHE 60 -13.355 -22.266 -22.266
Start of MODEL 19
1 1H GLU 1 HT1 GLU 1 12.680 -3.841 -3.841
2 2H GLU 1 HT3 GLU 1 12.905 -2.239 -2.239
3 3H GLU 1 HT2 GLU 1 11.667 -2.615 -2.615
4 HA GLU 1 HA GLU 1 10.458 -2.464 -2.464
5 1HB GLU 1 HB2 GLU 1 11.352 -3.223 -3.223
6 2HB GLU 1 HB1 GLU 1 12.316 -1.937 -1.937
7 1HG GLU 1 HG2 GLU 1 13.083 -4.737 -4.737
8 2HG GLU 1 HG1 GLU 1 13.432 -4.181 -4.181
9 H ALA 2 HN ALA 2 9.515 -4.295 -4.295
10 HA ALA 2 HA ALA 2 9.932 -6.969 -6.969
11 1HB ALA 2 HB3 ALA 2 7.442 -5.325 -5.325
12 2HB ALA 2 HB2 ALA 2 7.274 -7.059 -7.059
13 3HB ALA 2 HB1 ALA 2 8.120 -6.467 -6.467
14 H GLN 3 HN GLN 3 8.400 -8.575 -8.575
15 HA GLN 3 HA GLN 3 8.784 -7.869 -7.869
16 1HB GLN 3 HB2 GLN 3 8.662 -10.448 -10.448
17 2HB GLN 3 HB1 GLN 3 8.292 -10.442 -10.442
18 1HG GLN 3 HG2 GLN 3 10.639 -10.874 -10.874
19 2HG GLN 3 HG1 GLN 3 10.490 -9.187 -9.187
20 1HE2 GLN 3 HE22 GLN 3 11.976 -7.921 -7.921
21 2HE2 GLN 3 HE21 GLN 3 11.262 -7.567 -7.567
22 H THR 4 HN THR 4 6.980 -7.222 -7.222
23 HA THR 4 HA THR 4 4.425 -8.564 -8.564
24 HB THR 4 HB THR 4 3.395 -6.167 -6.167
25 HG1 THR 4 HG1 THR 4 6.005 -5.672 -5.672
26 1HG2 THR 4 HG21 THR 4 3.606 -7.757 -7.757
27 2HG2 THR 4 HG23 THR 4 4.846 -6.617 -6.617
28 3HG2 THR 4 HG22 THR 4 3.194 -6.061 -6.061
29 H GLU 5 HN GLU 5 2.771 -7.179 -7.179
30 HA GLU 5 HA GLU 5 3.584 -8.142 -8.142
31 1HB GLU 5 HB2 GLU 5 1.358 -6.362 -6.362
32 2HB GLU 5 HB1 GLU 5 1.616 -6.601 -6.601
33 1HG GLU 5 HG2 GLU 5 0.245 -8.403 -8.403
34 2HG GLU 5 HG1 GLU 5 1.744 -9.174 -9.174
35 H THR 6 HN THR 6 4.289 -6.953 -6.953
36 HA THR 6 HA THR 6 5.080 -4.144 -4.144
37 HB THR 6 HB THR 6 6.939 -5.934 -5.934
38 HG1 THR 6 HG1 THR 6 7.594 -5.703 -5.703
39 1HG2 THR 6 HG22 THR 6 6.979 -3.303 -3.303
40 2HG2 THR 6 HG21 THR 6 7.781 -3.879 -3.879
41 3HG2 THR 6 HG23 THR 6 8.457 -4.257 -4.257
42 H CYS 7 HN CYS 7 4.392 -2.858 -2.858
43 HA CYS 7 HA CYS 7 3.866 -4.179 -4.179
44 1HB CYS 7 HB2 CYS 7 2.312 -2.202 -2.202
45 2HB CYS 7 HB1 CYS 7 2.317 -1.984 -1.984
46 H THR 8 HN THR 8 6.448 -3.280 -3.280
47 HA THR 8 HA THR 8 6.575 -0.886 -0.886
48 HB THR 8 HB THR 8 7.102 -0.161 -0.161
49 HG1 THR 8 HG1 THR 8 8.570 0.194 0.194
50 1HG2 THR 8 HG23 THR 8 7.958 -2.709 -2.709
51 2HG2 THR 8 HG22 THR 8 9.500 -1.876 -1.876
52 3HG2 THR 8 HG21 THR 8 8.363 -1.351 -1.351
53 H VAL 9 HN VAL 9 7.325 -1.773 -1.773
54 HA VAL 9 HA VAL 9 9.720 -3.517 -3.517
55 HB VAL 9 HB VAL 9 7.576 -3.680 -3.680
56 1HG1 VAL 9 HG11 VAL 9 10.097 -5.195 -5.195
57 2HG1 VAL 9 HG13 VAL 9 8.779 -5.993 -5.993
58 3HG1 VAL 9 HG12 VAL 9 9.549 -4.569 -4.569
59 1HG2 VAL 9 HG22 VAL 9 8.043 -5.427 -5.427
60 2HG2 VAL 9 HG21 VAL 9 6.655 -4.372 -4.372
61 3HG2 VAL 9 HG23 VAL 9 6.903 -5.781 -5.781
62 H ALA 10 HN ALA 10 10.896 -3.519 -3.519
63 HA ALA 10 HA ALA 10 11.555 -0.772 -0.772
64 1HB ALA 10 HB1 ALA 10 12.525 -3.449 -3.449
65 2HB ALA 10 HB3 ALA 10 12.805 -2.129 -2.129
66 3HB ALA 10 HB2 ALA 10 13.440 -2.030 -2.030
67 HA PRO 11 HA PRO 11 8.638 0.586 0.586
68 1HB PRO 11 HB2 PRO 11 10.899 1.107 1.107
69 2HB PRO 11 HB1 PRO 11 9.729 2.238 2.238
70 1HG PRO 11 HG2 PRO 11 12.409 1.703 1.703
71 2HG PRO 11 HG1 PRO 11 11.251 2.868 2.868
72 1HD PRO 11 HD2 PRO 11 12.153 0.616 0.616
73 2HD PRO 11 HD1 PRO 11 10.643 1.474 1.474
74 H ARG 12 HN ARG 12 11.450 -0.963 -0.963
75 HA ARG 12 HA ARG 12 9.794 -2.106 -2.106
76 1HB ARG 12 HB2 ARG 12 11.870 -3.410 -3.410
77 2HB ARG 12 HB1 ARG 12 12.115 -1.666 -1.666
78 1HG ARG 12 HG2 ARG 12 13.513 -1.814 -1.814
79 2HG ARG 12 HG1 ARG 12 12.510 -3.019 -3.019
80 1HD ARG 12 HD2 ARG 12 14.281 -4.386 -4.386
81 2HD ARG 12 HD1 ARG 12 13.438 -4.518 -4.518
82 HE ARG 12 HE ARG 12 15.065 -2.292 -2.292
83 1HH1 ARG 12 HH11 ARG 12 15.482 -5.669 -5.669
84 2HH1 ARG 12 HH12 ARG 12 17.073 -5.760 -5.760
85 1HH2 ARG 12 HH21 ARG 12 17.151 -2.434 -2.434
86 2HH2 ARG 12 HH22 ARG 12 18.012 -3.936 -3.936
87 H GLU 13 HN GLU 13 10.933 -3.246 -3.246
88 HA GLU 13 HA GLU 13 10.097 -5.987 -5.987
89 1HB GLU 13 HB2 GLU 13 11.114 -4.598 -4.598
90 2HB GLU 13 HB1 GLU 13 10.675 -6.306 -6.306
91 1HG GLU 13 HG2 GLU 13 12.291 -6.269 -6.269
92 2HG GLU 13 HG1 GLU 13 12.991 -4.901 -4.901
93 H ARG 14 HN ARG 14 8.019 -3.962 -3.962
94 HA ARG 14 HA ARG 14 6.316 -4.550 -4.550
95 1HB ARG 14 HB2 ARG 14 6.290 -2.347 -2.347
96 2HB ARG 14 HB1 ARG 14 4.883 -2.684 -2.684
97 1HG ARG 14 HG2 ARG 14 6.631 -2.591 -2.591
98 2HG ARG 14 HG1 ARG 14 7.587 -1.666 -1.666
99 1HD ARG 14 HD2 ARG 14 5.896 0.001 0.001
100 2HD ARG 14 HD1 ARG 14 4.700 -1.003 -1.003
101 HE ARG 14 HE ARG 14 6.963 -0.471 -0.471
102 1HH1 ARG 14 HH11 ARG 14 4.012 0.869 0.869
103 2HH1 ARG 14 HH12 ARG 14 3.773 1.957 1.957
104 1HH2 ARG 14 HH21 ARG 14 6.629 0.962 0.962
105 2HH2 ARG 14 HH22 ARG 14 5.248 2.008 2.008
106 H GLN 15 HN GLN 15 4.299 -5.570 -5.570
107 HA GLN 15 HA GLN 15 3.931 -6.766 -6.766
108 1HB GLN 15 HB2 GLN 15 2.684 -7.528 -7.528
109 2HB GLN 15 HB1 GLN 15 2.522 -8.413 -8.413
110 1HG GLN 15 HG2 GLN 15 4.358 -9.582 -9.582
111 2HG GLN 15 HG1 GLN 15 5.290 -8.111 -8.111
112 1HE2 GLN 15 HE22 GLN 15 6.044 -7.736 -7.736
113 2HE2 GLN 15 HE21 GLN 15 6.407 -7.342 -7.342
114 H ASN 16 HN ASN 16 2.486 -5.680 -5.680
115 HA ASN 16 HA ASN 16 0.691 -3.712 -3.712
116 1HB ASN 16 HB2 ASN 16 1.570 -4.198 -4.198
117 2HB ASN 16 HB1 ASN 16 0.187 -5.288 -5.288
118 1HD2 ASN 16 HD22 ASN 16 -1.524 -2.362 -2.362
119 2HD2 ASN 16 HD21 ASN 16 -0.787 -3.805 -3.805
120 H CYS 17 HN CYS 17 -1.118 -4.026 -4.026
121 HA CYS 17 HA CYS 17 -2.386 -6.678 -6.678
122 1HB CYS 17 HB2 CYS 17 -1.769 -5.112 -5.112
123 2HB CYS 17 HB1 CYS 17 -3.358 -4.440 -4.440
124 H GLY 18 HN GLY 18 -2.812 -3.485 -3.485
125 1HA GLY 18 HA2 GLY 18 -5.064 -4.222 -4.222
126 2HA GLY 18 HA1 GLY 18 -5.600 -3.268 -3.268
127 H PHE 19 HN PHE 19 -6.113 -1.987 -1.987
128 HA PHE 19 HA PHE 19 -3.937 -0.524 -0.524
129 1HB PHE 19 HB2 PHE 19 -5.805 1.047 1.047
130 2HB PHE 19 HB1 PHE 19 -5.901 -0.627 -0.627
131 HD1 PHE 19 HD1 PHE 19 -7.456 -2.225 -2.225
132 HD2 PHE 19 HD2 PHE 19 -7.517 2.011 2.011
133 HE1 PHE 19 HE1 PHE 19 -9.721 -2.426 -2.426
134 HE2 PHE 19 HE2 PHE 19 -9.785 1.806 1.806
135 HZ PHE 19 HZ PHE 19 -10.884 -0.411 -0.411
136 HA PRO 20 HA PRO 20 -3.393 2.714 2.714
137 1HB PRO 20 HB2 PRO 20 -2.886 4.871 4.871
138 2HB PRO 20 HB1 PRO 20 -1.712 3.644 3.644
139 1HG PRO 20 HG2 PRO 20 -2.826 4.087 4.087
140 2HG PRO 20 HG1 PRO 20 -1.625 2.885 2.885
141 1HD PRO 20 HD2 PRO 20 -4.490 2.532 2.532
142 2HD PRO 20 HD1 PRO 20 -3.215 1.307 1.307
143 H GLY 21 HN GLY 21 -5.742 3.455 3.455
144 1HA GLY 21 HA2 GLY 21 -6.822 5.835 5.835
145 2HA GLY 21 HA1 GLY 21 -7.726 4.650 4.650
146 H VAL 22 HN VAL 22 -6.842 2.690 2.690
147 HA VAL 22 HA VAL 22 -9.328 2.703 2.703
148 HB VAL 22 HB VAL 22 -8.161 1.218 1.218
149 1HG1 VAL 22 HG13 VAL 22 -9.106 0.438 0.438
150 2HG1 VAL 22 HG12 VAL 22 -7.458 0.507 0.507
151 3HG1 VAL 22 HG11 VAL 22 -7.855 -0.594 -0.594
152 1HG2 VAL 22 HG22 VAL 22 -5.784 2.087 2.087
153 2HG2 VAL 22 HG21 VAL 22 -5.962 2.104 2.104
154 3HG2 VAL 22 HG23 VAL 22 -5.779 0.572 0.572
155 H THR 23 HN THR 23 -9.388 2.895 2.895
156 HA THR 23 HA THR 23 -7.832 5.271 5.271
157 HB THR 23 HB THR 23 -9.871 6.128 6.128
158 HG1 THR 23 HG1 THR 23 -11.806 5.110 5.110
159 1HG2 THR 23 HG22 THR 23 -10.241 5.557 5.557
160 2HG2 THR 23 HG21 THR 23 -11.069 6.818 6.818
161 3HG2 THR 23 HG23 THR 23 -9.323 6.902 6.902
162 HA PRO 24 HA PRO 24 -6.574 3.409 3.409
163 1HB PRO 24 HB2 PRO 24 -8.321 5.160 5.160
164 2HB PRO 24 HB1 PRO 24 -6.555 5.068 5.068
165 1HG PRO 24 HG2 PRO 24 -8.281 6.958 6.958
166 2HG PRO 24 HG1 PRO 24 -6.513 6.933 6.933
167 1HD PRO 24 HD2 PRO 24 -7.983 6.496 6.496
168 2HD PRO 24 HD1 PRO 24 -6.326 5.910 5.910
169 H SER 25 HN SER 25 -10.065 4.048 4.048
170 HA SER 25 HA SER 25 -10.881 2.132 2.132
171 1HB SER 25 HB2 SER 25 -12.340 3.577 3.577
172 2HB SER 25 HB1 SER 25 -13.138 2.436 2.436
173 HG SER 25 HG SER 25 -12.386 5.004 5.004
174 H GLN 26 HN GLN 26 -10.800 2.133 2.133
175 HA GLN 26 HA GLN 26 -11.784 -0.519 -0.519
176 1HB GLN 26 HB2 GLN 26 -10.103 1.238 1.238
177 2HB GLN 26 HB1 GLN 26 -10.704 -0.347 -0.347
178 1HG GLN 26 HG2 GLN 26 -13.016 0.386 0.386
179 2HG GLN 26 HG1 GLN 26 -12.430 1.966 1.966
180 1HE2 GLN 26 HE22 GLN 26 -12.888 1.227 1.227
181 2HE2 GLN 26 HE21 GLN 26 -13.401 0.135 0.135
182 H CYS 27 HN CYS 27 -8.430 0.790 0.790
183 HA CYS 27 HA CYS 27 -7.135 -1.701 -1.701
184 1HB CYS 27 HB2 CYS 27 -6.134 0.659 0.659
185 2HB CYS 27 HB1 CYS 27 -6.025 0.595 0.595
186 H ALA 28 HN ALA 28 -8.508 -0.134 -0.134
187 HA ALA 28 HA ALA 28 -7.282 -2.122 -2.122
188 1HB ALA 28 HB3 ALA 28 -7.521 0.274 0.274
189 2HB ALA 28 HB2 ALA 28 -9.272 0.073 0.073
190 3HB ALA 28 HB1 ALA 28 -8.309 -0.846 -0.846
191 H ASN 29 HN ASN 29 -10.070 -1.889 -1.889
192 HA ASN 29 HA ASN 29 -11.723 -3.526 -3.526
193 1HB ASN 29 HB2 ASN 29 -12.725 -1.653 -1.653
194 2HB ASN 29 HB1 ASN 29 -12.317 -2.529 -2.529
195 1HD2 ASN 29 HD22 ASN 29 -15.344 -3.951 -3.951
196 2HD2 ASN 29 HD21 ASN 29 -14.202 -2.876 -2.876
197 H LYS 30 HN LYS 30 -9.275 -4.066 -4.066
198 HA LYS 30 HA LYS 30 -10.454 -6.664 -6.664
199 1HB LYS 30 HB2 LYS 30 -8.241 -4.987 -4.987
200 2HB LYS 30 HB1 LYS 30 -8.612 -6.630 -6.630
201 1HG LYS 30 HG2 LYS 30 -10.852 -5.989 -5.989
202 2HG LYS 30 HG1 LYS 30 -10.643 -4.385 -4.385
203 1HD LYS 30 HD2 LYS 30 -9.092 -3.732 -3.732
204 2HD LYS 30 HD1 LYS 30 -8.819 -5.398 -5.398
205 1HE LYS 30 HE2 LYS 30 -10.253 -4.254 -4.254
206 2HE LYS 30 HE1 LYS 30 -11.174 -5.510 -5.510
207 1HZ LYS 30 HZ2 LYS 30 -11.126 -2.688 -2.688
208 2HZ LYS 30 HZ1 LYS 30 -12.298 -3.340 -3.340
209 3HZ LYS 30 HZ3 LYS 30 -12.162 -3.921 -3.921
210 H GLY 31 HN GLY 31 -7.800 -5.103 -5.103
211 1HA GLY 31 HA2 GLY 31 -6.752 -6.411 -6.411
212 2HA GLY 31 HA1 GLY 31 -6.795 -7.804 -7.804
213 H CYS 32 HN CYS 32 -5.991 -4.689 -4.689
214 HA CYS 32 HA CYS 32 -3.172 -5.594 -5.594
215 1HB CYS 32 HB2 CYS 32 -4.596 -3.635 -3.635
216 2HB CYS 32 HB1 CYS 32 -3.048 -4.425 -4.425
217 H CYS 33 HN CYS 33 -1.560 -4.169 -4.169
218 HA CYS 33 HA CYS 33 -2.397 -1.988 -1.988
219 1HB CYS 33 HB2 CYS 33 0.197 -3.232 -3.232
220 2HB CYS 33 HB1 CYS 33 0.245 -1.577 -1.577
221 H PHE 34 HN PHE 34 -2.534 0.170 0.170
222 HA PHE 34 HA PHE 34 -1.937 0.943 0.943
223 1HB PHE 34 HB2 PHE 34 -4.248 1.301 1.301
224 2HB PHE 34 HB1 PHE 34 -3.518 2.478 2.478
225 HD1 PHE 34 HD1 PHE 34 -4.153 1.671 1.671
226 HD2 PHE 34 HD2 PHE 34 -2.887 4.657 4.657
227 HE1 PHE 34 HE1 PHE 34 -4.278 3.400 3.400
228 HE2 PHE 34 HE2 PHE 34 -3.012 6.385 6.385
229 HZ PHE 34 HZ PHE 34 -3.709 5.755 5.755
230 H ASP 35 HN ASP 35 -0.442 2.590 2.590
231 HA ASP 35 HA ASP 35 0.659 4.123 4.123
232 1HB ASP 35 HB2 ASP 35 1.998 1.982 1.982
233 2HB ASP 35 HB1 ASP 35 2.465 2.533 2.533
234 H ASP 36 HN ASP 36 0.109 6.115 6.115
235 HA ASP 36 HA ASP 36 0.910 6.613 6.613
236 1HB ASP 36 HB2 ASP 36 -0.565 8.627 8.627
237 2HB ASP 36 HB1 ASP 36 -1.428 7.108 7.108
238 H THR 37 HN THR 37 3.205 6.703 6.703
239 HA THR 37 HA THR 37 3.726 9.376 9.376
240 HB THR 37 HB THR 37 5.861 8.322 8.322
241 HG1 THR 37 HG1 THR 37 5.418 6.498 6.498
242 1HG2 THR 37 HG21 THR 37 3.819 8.609 8.609
243 2HG2 THR 37 HG23 THR 37 3.312 6.985 6.985
244 3HG2 THR 37 HG22 THR 37 4.789 7.213 7.213
245 H VAL 38 HN VAL 38 4.945 6.866 6.866
246 HA VAL 38 HA VAL 38 6.523 8.992 8.992
247 HB VAL 38 HB VAL 38 6.844 5.983 5.983
248 1HG1 VAL 38 HG12 VAL 38 7.638 7.324 7.324
249 2HG1 VAL 38 HG11 VAL 38 8.659 8.258 8.258
250 3HG1 VAL 38 HG13 VAL 38 8.961 6.537 6.537
251 1HG2 VAL 38 HG22 VAL 38 7.350 6.884 6.884
252 2HG2 VAL 38 HG21 VAL 38 8.782 6.256 6.256
253 3HG2 VAL 38 HG23 VAL 38 8.506 7.997 7.997
254 H ARG 39 HN ARG 39 6.426 9.082 9.082
255 HA ARG 39 HA ARG 39 3.861 8.045 8.045
256 1HB ARG 39 HB2 ARG 39 5.653 10.345 10.345
257 2HB ARG 39 HB1 ARG 39 4.557 9.688 9.688
258 1HG ARG 39 HG2 ARG 39 2.670 10.385 10.385
259 2HG ARG 39 HG1 ARG 39 3.424 10.221 10.221
260 1HD ARG 39 HD2 ARG 39 4.509 12.291 12.291
261 2HD ARG 39 HD1 ARG 39 4.398 12.325 12.325
262 HE ARG 39 HE ARG 39 2.417 13.291 13.291
263 1HH1 ARG 39 HH21 ARG 39 2.886 11.724 11.724
264 2HH1 ARG 39 HH22 ARG 39 1.395 12.302 12.302
265 1HH2 ARG 39 HH11 ARG 39 0.468 14.036 14.036
266 2HH2 ARG 39 HH12 ARG 39 0.034 13.604 13.604
267 H GLY 40 HN GLY 40 4.008 7.497 7.497
268 1HA GLY 40 HA2 GLY 40 5.062 6.364 6.364
269 2HA GLY 40 HA1 GLY 40 6.567 6.389 6.389
270 H VAL 41 HN VAL 41 5.285 5.284 5.284
271 HA VAL 41 HA VAL 41 5.216 2.466 2.466
272 HB VAL 41 HB VAL 41 5.589 1.995 1.995
273 1HG1 VAL 41 HG11 VAL 41 7.407 2.656 2.656
274 2HG1 VAL 41 HG13 VAL 41 7.663 4.012 4.012
275 3HG1 VAL 41 HG12 VAL 41 7.862 2.358 2.358
276 1HG2 VAL 41 HG21 VAL 41 4.470 4.152 4.152
277 2HG2 VAL 41 HG23 VAL 41 6.004 3.799 3.799
278 3HG2 VAL 41 HG22 VAL 41 5.938 4.995 4.995
279 HA PRO 42 HA PRO 42 0.948 2.061 2.061
280 1HB PRO 42 HB2 PRO 42 0.996 -0.547 -0.547
281 2HB PRO 42 HB1 PRO 42 0.882 -0.093 -0.093
282 1HG PRO 42 HG2 PRO 42 3.040 -1.397 -1.397
283 2HG PRO 42 HG1 PRO 42 2.939 -0.900 -0.900
284 1HD PRO 42 HD2 PRO 42 4.321 0.417 0.417
285 2HD PRO 42 HD1 PRO 42 4.590 0.589 0.589
286 H TRP 43 HN TRP 43 -0.144 2.860 2.860
287 HA TRP 43 HA TRP 43 1.128 2.873 2.873
288 1HB TRP 43 HB2 TRP 43 -1.678 3.739 3.739
289 2HB TRP 43 HB1 TRP 43 -0.788 4.191 4.191
290 HD1 TRP 43 HD1 TRP 43 2.009 4.879 4.879
291 HE1 TRP 43 HE1 TRP 43 2.275 6.978 6.978
292 HE3 TRP 43 HE3 TRP 43 -2.859 5.634 5.634
293 HZ2 TRP 43 HZ2 TRP 43 0.640 8.743 8.743
294 HZ3 TRP 43 HZ3 TRP 43 -3.476 7.527 7.527
295 HH2 TRP 43 HH2 TRP 43 -1.735 9.082 9.082
296 H CYS 44 HN CYS 44 -1.657 1.178 1.178
297 HA CYS 44 HA CYS 44 -2.207 -0.196 -0.196
298 1HB CYS 44 HB2 CYS 44 -4.020 0.582 0.582
299 2HB CYS 44 HB1 CYS 44 -3.467 -0.658 -0.658
300 H PHE 45 HN PHE 45 -0.610 -1.742 -1.742
301 HA PHE 45 HA PHE 45 -0.194 -3.787 -3.787
302 1HB PHE 45 HB2 PHE 45 2.179 -3.932 -3.932
303 2HB PHE 45 HB1 PHE 45 1.786 -2.291 -2.291
304 HD1 PHE 45 HD1 PHE 45 0.990 -0.716 -0.716
305 HD2 PHE 45 HD2 PHE 45 3.458 -4.202 -4.202
306 HE1 PHE 45 HE1 PHE 45 1.861 0.148 0.148
307 HE2 PHE 45 HE2 PHE 45 4.333 -3.342 -3.342
308 HZ PHE 45 HZ PHE 45 3.532 -1.166 -1.166
309 H TYR 46 HN TYR 46 1.035 -5.770 -5.770
310 HA TYR 46 HA TYR 46 -0.764 -6.676 -6.676
311 1HB TYR 46 HB2 TYR 46 1.641 -7.818 -7.818
312 2HB TYR 46 HB1 TYR 46 0.982 -8.623 -8.623
313 HD1 TYR 46 HD2 TYR 46 -1.471 -9.287 -9.287
314 HD2 TYR 46 HD1 TYR 46 0.569 -7.991 -7.991
315 HE1 TYR 46 HE2 TYR 46 -3.260 -10.288 -10.288
316 HE2 TYR 46 HE1 TYR 46 -1.220 -8.993 -8.993
317 HH TYR 46 HH TYR 46 -3.964 -9.565 -9.565
318 HA PRO 47 HA PRO 47 1.815 -5.784 -5.784
319 1HB PRO 47 HB2 PRO 47 0.918 -7.787 -7.787
320 2HB PRO 47 HB1 PRO 47 -0.004 -6.327 -6.327
321 1HG PRO 47 HG2 PRO 47 -0.589 -9.039 -9.039
322 2HG PRO 47 HG1 PRO 47 -1.523 -7.579 -7.579
323 1HD PRO 47 HD2 PRO 47 0.383 -9.058 -9.058
324 2HD PRO 47 HD1 PRO 47 -0.936 -7.960 -7.960
325 H ASN 48 HN ASN 48 3.324 -6.896 -6.896
326 HA ASN 48 HA ASN 48 4.614 -9.320 -9.320
327 1HB ASN 48 HB2 ASN 48 5.972 -6.673 -6.673
328 2HB ASN 48 HB1 ASN 48 6.852 -8.195 -8.195
329 1HD2 ASN 48 HD22 ASN 48 5.053 -6.662 -6.662
330 2HD2 ASN 48 HD21 ASN 48 4.442 -6.241 -6.241
331 H THR 49 HN THR 49 3.914 -10.526 -10.526
332 HA THR 49 HA THR 49 4.265 -9.505 -9.505
333 HB THR 49 HB THR 49 3.564 -11.769 -11.769
334 HG1 THR 49 HG1 THR 49 3.086 -12.632 -12.632
335 1HG2 THR 49 HG21 THR 49 2.002 -9.919 -9.919
336 2HG2 THR 49 HG23 THR 49 1.810 -11.154 -11.154
337 3HG2 THR 49 HG22 THR 49 1.367 -11.507 -11.507
338 H ILE 50 HN ILE 50 6.050 -9.752 -9.752
339 HA ILE 50 HA ILE 50 8.163 -11.618 -11.618
340 HB ILE 50 HB ILE 50 8.610 -8.885 -8.885
341 1HG1 ILE 50 HG12 ILE 50 9.046 -9.774 -9.774
342 2HG1 ILE 50 HG11 ILE 50 7.664 -8.819 -8.819
343 1HG2 ILE 50 HG22 ILE 50 10.277 -10.987 -10.987
344 2HG2 ILE 50 HG21 ILE 50 10.701 -10.409 -10.409
345 3HG2 ILE 50 HG23 ILE 50 10.866 -9.338 -9.338
346 1HD1 ILE 50 HD13 ILE 50 9.646 -7.338 -7.338
347 2HD1 ILE 50 HD12 ILE 50 10.514 -8.021 -8.021
348 3HD1 ILE 50 HD11 ILE 50 9.047 -7.079 -7.079
349 H ASP 51 HN ASP 51 9.192 -12.801 -12.801
350 HA ASP 51 HA ASP 51 8.838 -12.091 -12.091
351 1HB ASP 51 HB2 ASP 51 7.625 -14.204 -14.204
352 2HB ASP 51 HB1 ASP 51 6.651 -13.091 -13.091
353 H VAL 52 HN VAL 52 9.578 -14.282 -14.282
354 HA VAL 52 HA VAL 52 12.173 -14.940 -14.940
355 HB VAL 52 HB VAL 52 12.664 -15.881 -15.881
356 1HG1 VAL 52 HG11 VAL 52 11.603 -13.049 -13.049
357 2HG1 VAL 52 HG13 VAL 52 12.528 -13.653 -13.653
358 3HG1 VAL 52 HG12 VAL 52 13.269 -13.582 -13.582
359 1HG2 VAL 52 HG23 VAL 52 9.806 -15.001 -15.001
360 2HG2 VAL 52 HG22 VAL 52 10.521 -16.582 -16.582
361 3HG2 VAL 52 HG21 VAL 52 10.946 -15.204 -15.204
362 HA PRO 53 HA PRO 53 11.198 -18.933 -18.933
363 1HB PRO 53 HB2 PRO 53 13.369 -20.189 -20.189
364 2HB PRO 53 HB1 PRO 53 13.238 -19.860 -19.860
365 1HG PRO 53 HG2 PRO 53 14.679 -18.382 -18.382
366 2HG PRO 53 HG1 PRO 53 14.773 -18.245 -18.245
367 1HD PRO 53 HD2 PRO 53 13.683 -16.315 -16.315
368 2HD PRO 53 HD1 PRO 53 13.212 -16.562 -16.562
369 HA PRO 54 HA PRO 54 11.273 -21.533 -21.533
370 1HB PRO 54 HB2 PRO 54 10.844 -19.208 -19.208
371 2HB PRO 54 HB1 PRO 54 11.956 -20.569 -20.569
372 1HG PRO 54 HG2 PRO 54 12.518 -17.922 -17.922
373 2HG PRO 54 HG1 PRO 54 13.643 -19.260 -19.260
374 1HD PRO 54 HD2 PRO 54 13.026 -18.228 -18.228
375 2HD PRO 54 HD1 PRO 54 13.666 -19.856 -19.856
376 H GLU 55 HN GLU 55 9.540 -18.419 -18.419
377 HA GLU 55 HA GLU 55 7.041 -19.781 -19.781
378 1HB GLU 55 HB2 GLU 55 7.918 -17.436 -17.436
379 2HB GLU 55 HB1 GLU 55 7.185 -16.858 -16.858
380 1HG GLU 55 HG2 GLU 55 5.045 -17.386 -17.386
381 2HG GLU 55 HG1 GLU 55 5.584 -18.728 -18.728
382 H GLU 56 HN GLU 56 5.042 -19.152 -19.152
383 HA GLU 56 HA GLU 56 5.693 -18.653 -18.653
384 1HB GLU 56 HB2 GLU 56 4.163 -21.028 -21.028
385 2HB GLU 56 HB1 GLU 56 4.099 -20.530 -20.530
386 1HG GLU 56 HG2 GLU 56 6.692 -20.624 -20.624
387 2HG GLU 56 HG1 GLU 56 6.452 -21.581 -21.581
388 H GLU 57 HN GLU 57 4.153 -17.362 -17.362
389 HA GLU 57 HA GLU 57 1.827 -16.611 -16.611
390 1HB GLU 57 HB2 GLU 57 3.405 -15.234 -15.234
391 2HB GLU 57 HB1 GLU 57 1.744 -14.735 -14.735
392 1HG GLU 57 HG2 GLU 57 2.369 -14.496 -14.496
393 2HG GLU 57 HG1 GLU 57 4.046 -14.787 -14.787
394 H SER 58 HN SER 58 -0.236 -17.119 -17.119
395 HA SER 58 HA SER 58 -0.481 -18.638 -18.638
396 1HB SER 58 HB2 SER 58 -2.841 -19.005 -19.005
397 2HB SER 58 HB1 SER 58 -1.550 -19.665 -19.665
398 HG SER 58 HG SER 58 -2.964 -17.227 -17.227
399 H GLU 59 HN GLU 59 -2.191 -18.088 -18.088
400 HA GLU 59 HA GLU 59 -3.030 -15.248 -15.248
401 1HB GLU 59 HB2 GLU 59 -1.058 -15.717 -15.717
402 2HB GLU 59 HB1 GLU 59 -2.202 -16.632 -16.632
403 1HG GLU 59 HG2 GLU 59 -3.564 -14.701 -14.701
404 2HG GLU 59 HG1 GLU 59 -2.704 -13.773 -13.773
405 H PHE 60 HN PHE 60 -5.178 -14.907 -14.907
406 HA PHE 60 HA PHE 60 -6.613 -17.033 -17.033
407 1HB PHE 60 HB2 PHE 60 -6.775 -17.427 -17.427
408 2HB PHE 60 HB1 PHE 60 -7.676 -15.913 -15.913
409 HD1 PHE 60 HD1 PHE 60 -7.624 -19.225 -19.225
410 HD2 PHE 60 HD2 PHE 60 -9.983 -15.869 -15.869
411 HE1 PHE 60 HE1 PHE 60 -9.687 -20.412 -20.412
412 HE2 PHE 60 HE2 PHE 60 -12.047 -17.058 -17.058
413 HZ PHE 60 HZ PHE 60 -11.898 -19.329 -19.329