Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14542 | 1wxn RC | 6467 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 HT1 GLY 1 1.791 -8.339 11.082
2 2H GLY 1 HT2 GLY 1 3.327 -7.680 11.331
3 3H GLY 1 HT3 GLY 1 3.058 -8.714 10.021
4 1HA GLY 1 HA1 GLY 1 1.862 -6.024 10.401
5 2HA GLY 1 HA2 GLY 1 3.177 -6.413 9.297
6 H THR 2 HN THR 2 0.547 -5.293 8.687
7 HA THR 2 HA THR 2 -0.947 -7.414 7.404
8 HB THR 2 HB THR 2 -2.191 -5.342 6.430
9 HG1 THR 2 HG1 THR 2 -1.772 -3.408 7.343
10 1HG2 THR 2 HG21 THR 2 -2.605 -6.834 8.643
11 2HG2 THR 2 HG22 THR 2 -3.644 -5.535 8.094
12 3HG2 THR 2 HG23 THR 2 -2.442 -5.217 9.334
13 H ALA 3 HN ALA 3 0.514 -8.343 6.033
14 HA ALA 3 HA ALA 3 2.161 -6.941 4.247
15 1HB ALA 3 HB1 ALA 3 2.644 -9.104 3.262
16 2HB ALA 3 HB2 ALA 3 1.256 -9.812 4.095
17 3HB ALA 3 HB3 ALA 3 2.625 -9.201 5.022
18 H CYS 4 HN CYS 4 1.994 -6.392 2.177
19 HA CYS 4 HA CYS 4 -0.274 -7.293 0.569
20 1HB CYS 4 HB2 CYS 4 -1.025 -5.170 1.545
21 2HB CYS 4 HB1 CYS 4 0.433 -4.376 0.964
22 H SER 5 HN SER 5 0.187 -7.261 -1.645
23 HA SER 5 HA SER 5 2.947 -6.530 -2.367
24 1HB SER 5 HB2 SER 5 2.932 -8.655 -3.786
25 2HB SER 5 HB1 SER 5 3.082 -8.858 -2.042
26 HG SER 5 HG SER 5 1.509 -10.243 -3.141
27 H CYS 6 HN CYS 6 3.156 -5.501 -4.249
28 HA CYS 6 HA CYS 6 0.873 -5.505 -6.133
29 1HB CYS 6 HB2 CYS 6 2.658 -3.164 -5.418
30 2HB CYS 6 HB1 CYS 6 1.438 -3.172 -6.689
31 H GLY 7 HN GLY 7 1.793 -7.090 -7.416
32 1HA GLY 7 HA2 GLY 7 3.030 -7.815 -9.196
33 2HA GLY 7 HA1 GLY 7 3.742 -6.211 -9.314
34 H ASN 8 HN ASN 8 5.618 -5.740 -8.092
35 HA ASN 8 HA ASN 8 7.023 -8.115 -7.007
36 1HB ASN 8 HB2 ASN 8 7.949 -7.209 -9.168
37 2HB ASN 8 HB1 ASN 8 8.305 -5.706 -8.327
38 1HD2 ASN 8 HD21 ASN 8 9.137 -9.065 -8.693
39 2HD2 ASN 8 HD22 ASN 8 10.629 -8.980 -7.828
40 H SER 9 HN SER 9 5.832 -4.953 -6.429
41 HA SER 9 HA SER 9 7.663 -4.282 -4.331
42 1HB SER 9 HB2 SER 9 4.984 -3.054 -5.049
43 2HB SER 9 HB1 SER 9 6.214 -2.344 -4.005
44 HG SER 9 HG SER 9 6.183 -1.636 -6.275
45 H LYS 10 HN LYS 10 7.452 -4.659 -2.188
46 HA LYS 10 HA LYS 10 5.013 -6.050 -1.238
47 1HB LYS 10 HB2 LYS 10 7.875 -6.451 -0.337
48 2HB LYS 10 HB1 LYS 10 6.460 -7.288 0.299
49 1HG LYS 10 HG2 LYS 10 6.102 -8.379 -1.824
50 2HG LYS 10 HG1 LYS 10 7.444 -7.479 -2.543
51 1HD LYS 10 HD2 LYS 10 8.999 -8.531 -0.980
52 2HD LYS 10 HD1 LYS 10 7.666 -9.413 -0.230
53 1HE LYS 10 HE2 LYS 10 7.245 -10.565 -2.349
54 2HE LYS 10 HE1 LYS 10 8.582 -9.683 -3.092
55 1HZ LYS 10 HZ1 LYS 10 9.255 -11.890 -2.397
56 2HZ LYS 10 HZ2 LYS 10 8.811 -11.563 -0.799
57 3HZ LYS 10 HZ3 LYS 10 10.095 -10.717 -1.513
58 H GLY 11 HN GLY 11 4.020 -5.154 0.510
59 1HA GLY 11 HA2 GLY 11 5.521 -3.519 2.393
60 2HA GLY 11 HA1 GLY 11 4.436 -2.639 1.343
61 H ILE 12 HN ILE 12 3.247 -1.889 3.045
62 HA ILE 12 HA ILE 12 1.636 -3.894 4.495
63 HB ILE 12 HB ILE 12 2.639 -1.213 5.480
64 1HG1 ILE 12 HG12 ILE 12 4.470 -2.825 5.307
65 2HG1 ILE 12 HG11 ILE 12 4.086 -2.505 6.992
66 1HG2 ILE 12 HG21 ILE 12 1.057 -3.376 6.856
67 2HG2 ILE 12 HG22 ILE 12 0.544 -1.723 6.521
68 3HG2 ILE 12 HG23 ILE 12 1.821 -2.026 7.691
69 1HD1 ILE 12 HD11 ILE 12 3.292 -4.941 5.410
70 2HD1 ILE 12 HD12 ILE 12 2.828 -4.621 7.079
71 3HD1 ILE 12 HD13 ILE 12 4.522 -4.843 6.662
72 H TYR 13 HN TYR 13 -0.577 -3.562 4.583
73 HA TYR 13 HA TYR 13 -1.530 -1.118 3.252
74 1HB TYR 13 HB2 TYR 13 -3.436 -2.228 2.505
75 2HB TYR 13 HB1 TYR 13 -2.124 -3.358 2.227
76 HD1 TYR 13 HD1 TYR 13 -5.214 -2.725 4.035
77 HD2 TYR 13 HD2 TYR 13 -1.908 -5.387 3.652
78 HE1 TYR 13 HE1 TYR 13 -6.445 -4.448 5.260
79 HE2 TYR 13 HE2 TYR 13 -3.158 -7.118 4.867
80 HH TYR 13 HH TYR 13 -6.059 -7.411 5.168
81 H TRP 14 HN TRP 14 -3.024 0.172 4.180
82 HA TRP 14 HA TRP 14 -3.330 -0.163 7.089
83 1HB TRP 14 HB2 TRP 14 -3.490 2.304 5.327
84 2HB TRP 14 HB1 TRP 14 -3.717 2.269 7.072
85 HD1 TRP 14 HD1 TRP 14 -0.867 1.003 4.726
86 HE1 TRP 14 HE1 TRP 14 1.369 1.716 5.775
87 HE3 TRP 14 HE3 TRP 14 -2.630 3.420 8.874
88 HZ2 TRP 14 HZ2 TRP 14 2.267 3.131 8.040
89 HZ3 TRP 14 HZ3 TRP 14 -1.019 4.430 10.425
90 HH2 TRP 14 HH2 TRP 14 1.381 4.288 10.016
91 H PHE 15 HN PHE 15 -5.305 -0.165 8.046
92 HA PHE 15 HA PHE 15 -7.541 -0.807 6.370
93 1HB PHE 15 HB2 PHE 15 -7.331 -0.495 9.364
94 2HB PHE 15 HB1 PHE 15 -8.768 -1.071 8.529
95 HD1 PHE 15 HD1 PHE 15 -5.497 -1.939 9.789
96 HD2 PHE 15 HD2 PHE 15 -8.698 -3.221 7.299
97 HE1 PHE 15 HE1 PHE 15 -4.644 -4.239 9.882
98 HE2 PHE 15 HE2 PHE 15 -7.844 -5.528 7.382
99 HZ PHE 15 HZ PHE 15 -5.817 -6.039 8.681
100 H TYR 16 HN TYR 16 -8.555 0.792 5.316
101 HA TYR 16 HA TYR 16 -9.768 2.642 4.886
102 1HB TYR 16 HB2 TYR 16 -10.387 2.306 7.826
103 2HB TYR 16 HB1 TYR 16 -11.195 3.494 6.817
104 HD1 TYR 16 HD1 TYR 16 -12.873 2.854 5.229
105 HD2 TYR 16 HD2 TYR 16 -10.776 -0.118 7.448
106 HE1 TYR 16 HE1 TYR 16 -14.524 1.175 4.533
107 HE2 TYR 16 HE2 TYR 16 -12.425 -1.803 6.754
108 HH TYR 16 HH TYR 16 -15.211 -1.395 5.857
109 H ARG 17 HN ARG 17 -6.903 2.948 6.035
110 HA ARG 17 HA ARG 17 -7.030 5.616 7.157
111 1HB ARG 17 HB2 ARG 17 -4.770 3.741 6.678
112 2HB ARG 17 HB1 ARG 17 -4.535 5.347 7.313
113 1HG ARG 17 HG2 ARG 17 -6.325 3.326 8.638
114 2HG ARG 17 HG1 ARG 17 -4.617 3.453 8.997
115 1HD ARG 17 HD2 ARG 17 -6.567 5.725 9.225
116 2HD ARG 17 HD1 ARG 17 -6.113 4.687 10.559
117 HE ARG 17 HE ARG 17 -3.752 5.445 10.121
118 1HH1 ARG 17 HH11 ARG 17 -6.527 7.506 9.435
119 2HH1 ARG 17 HH12 ARG 17 -5.617 8.952 9.598
120 1HH2 ARG 17 HH21 ARG 17 -2.586 7.386 10.334
121 2HH2 ARG 17 HH22 ARG 17 -3.394 8.902 10.109
122 HA PRO 18 HA PRO 18 -6.392 7.046 2.887
123 1HB PRO 18 HB2 PRO 18 -7.215 9.669 3.807
124 2HB PRO 18 HB1 PRO 18 -8.084 8.535 2.775
125 1HG PRO 18 HG2 PRO 18 -8.851 9.213 5.317
126 2HG PRO 18 HG1 PRO 18 -9.304 7.706 4.502
127 1HD PRO 18 HD2 PRO 18 -7.159 8.200 6.532
128 2HD PRO 18 HD1 PRO 18 -8.283 6.848 6.371
129 H SER 19 HN SER 19 -4.715 7.478 5.680
130 HA SER 19 HA SER 19 -2.945 9.556 4.611
131 1HB SER 19 HB2 SER 19 -3.290 8.622 7.475
132 2HB SER 19 HB1 SER 19 -2.326 9.988 6.908
133 HG SER 19 HG SER 19 -4.277 10.784 7.623
134 H CYS 20 HN CYS 20 -1.655 8.217 3.340
135 HA CYS 20 HA CYS 20 -0.284 5.991 4.665
136 1HB CYS 20 HB2 CYS 20 -1.229 5.508 2.502
137 2HB CYS 20 HB1 CYS 20 -0.317 6.822 1.778
138 HA PRO 21 HA PRO 21 3.031 9.016 5.298
139 1HB PRO 21 HB2 PRO 21 4.403 6.848 6.727
140 2HB PRO 21 HB1 PRO 21 3.768 8.374 7.331
141 1HG PRO 21 HG2 PRO 21 2.675 5.964 7.925
142 2HG PRO 21 HG1 PRO 21 1.745 7.472 7.874
143 1HD PRO 21 HD2 PRO 21 1.936 5.289 5.839
144 2HD PRO 21 HD1 PRO 21 0.537 6.233 6.381
145 H THR 22 HN THR 22 3.915 9.176 3.268
146 HA THR 22 HA THR 22 5.041 6.950 1.894
147 HB THR 22 HB THR 22 3.927 8.841 0.729
148 HG1 THR 22 HG1 THR 22 5.270 8.733 -0.989
149 1HG2 THR 22 HG21 THR 22 4.973 10.963 0.472
150 2HG2 THR 22 HG22 THR 22 6.411 10.437 1.337
151 3HG2 THR 22 HG23 THR 22 4.889 10.641 2.200
152 H ASP 23 HN ASP 23 6.257 8.767 4.348
153 HA ASP 23 HA ASP 23 8.956 9.123 3.512
154 1HB ASP 23 HB2 ASP 23 9.319 9.696 5.926
155 2HB ASP 23 HB1 ASP 23 8.032 10.619 5.156
156 H ARG 24 HN ARG 24 7.266 6.371 4.251
157 HA ARG 24 HA ARG 24 9.484 5.018 5.583
158 1HB ARG 24 HB2 ARG 24 6.753 4.012 4.777
159 2HB ARG 24 HB1 ARG 24 7.952 3.119 5.709
160 1HG ARG 24 HG2 ARG 24 7.807 4.811 7.479
161 2HG ARG 24 HG1 ARG 24 6.570 5.658 6.547
162 1HD ARG 24 HD2 ARG 24 5.215 3.557 6.615
163 2HD ARG 24 HD1 ARG 24 6.419 2.903 7.732
164 HE ARG 24 HE ARG 24 5.280 5.457 8.486
165 1HH1 ARG 24 HH11 ARG 24 4.977 1.962 8.765
166 2HH1 ARG 24 HH12 ARG 24 4.027 2.062 10.196
167 1HH2 ARG 24 HH21 ARG 24 4.038 5.557 10.362
168 2HH2 ARG 24 HH22 ARG 24 3.483 4.095 11.108
169 H GLY 25 HN GLY 25 9.389 6.078 2.696
170 1HA GLY 25 HA2 GLY 25 10.429 5.472 0.800
171 2HA GLY 25 HA1 GLY 25 10.910 3.983 1.593
172 H TYR 26 HN TYR 26 7.535 4.977 1.220
173 HA TYR 26 HA TYR 26 6.902 2.497 -0.038
174 1HB TYR 26 HB2 TYR 26 5.273 4.993 0.432
175 2HB TYR 26 HB1 TYR 26 4.607 3.542 -0.312
176 HD1 TYR 26 HD1 TYR 26 5.750 1.399 1.270
177 HD2 TYR 26 HD2 TYR 26 4.256 5.148 2.527
178 HE1 TYR 26 HE1 TYR 26 5.243 0.432 3.469
179 HE2 TYR 26 HE2 TYR 26 3.751 4.216 4.741
180 HH TYR 26 HH TYR 26 5.005 1.522 5.938
181 H THR 27 HN THR 27 6.761 1.971 -2.104
182 HA THR 27 HA THR 27 7.597 3.978 -4.057
183 HB THR 27 HB THR 27 7.306 0.971 -4.403
184 HG1 THR 27 HG1 THR 27 9.615 2.512 -3.677
185 1HG2 THR 27 HG21 THR 27 8.948 1.348 -6.224
186 2HG2 THR 27 HG22 THR 27 8.769 3.086 -5.993
187 3HG2 THR 27 HG23 THR 27 7.392 2.117 -6.524
188 H GLY 28 HN GLY 28 5.003 1.585 -3.562
189 1HA GLY 28 HA2 GLY 28 3.415 3.041 -5.606
190 2HA GLY 28 HA1 GLY 28 3.437 1.292 -5.464
191 H SER 29 HN SER 29 1.083 2.612 -5.415
192 HA SER 29 HA SER 29 0.174 2.016 -2.698
193 1HB SER 29 HB2 SER 29 -0.578 4.531 -4.195
194 2HB SER 29 HB1 SER 29 -1.252 4.009 -2.648
195 HG SER 29 HG SER 29 0.497 5.546 -2.479
196 H CYS 30 HN CYS 30 -1.247 0.432 -2.942
197 HA CYS 30 HA CYS 30 -2.950 0.374 -5.367
198 1HB CYS 30 HB2 CYS 30 -2.062 -1.977 -3.680
199 2HB CYS 30 HB1 CYS 30 -2.876 -2.016 -5.237
200 H ARG 31 HN ARG 31 -5.073 -0.626 -5.074
201 HA ARG 31 HA ARG 31 -6.221 0.082 -2.476
202 1HB ARG 31 HB2 ARG 31 -7.487 0.900 -4.334
203 2HB ARG 31 HB1 ARG 31 -7.499 -0.683 -5.099
204 1HG ARG 31 HG2 ARG 31 -9.646 -0.204 -4.108
205 2HG ARG 31 HG1 ARG 31 -8.898 -1.560 -3.278
206 1HD ARG 31 HD2 ARG 31 -8.028 0.409 -1.680
207 2HD ARG 31 HD1 ARG 31 -9.428 1.203 -2.363
208 HE ARG 31 HE ARG 31 -9.581 -1.423 -1.006
209 1HH1 ARG 31 HH11 ARG 31 -10.780 1.856 -1.437
210 2HH1 ARG 31 HH12 ARG 31 -12.014 1.669 -0.259
211 1HH2 ARG 31 HH21 ARG 31 -11.236 -1.636 0.557
212 2HH2 ARG 31 HH22 ARG 31 -12.286 -0.296 0.876
213 H TYR 32 HN TYR 32 -6.051 -1.441 -0.988
214 HA TYR 32 HA TYR 32 -6.264 -4.277 -1.741
215 1HB TYR 32 HB2 TYR 32 -4.465 -3.319 -0.159
216 2HB TYR 32 HB1 TYR 32 -5.736 -3.178 1.033
217 HD1 TYR 32 HD1 TYR 32 -6.833 -5.260 1.890
218 HD2 TYR 32 HD2 TYR 32 -3.518 -5.425 -0.723
219 HE1 TYR 32 HE1 TYR 32 -6.469 -7.602 2.523
220 HE2 TYR 32 HE2 TYR 32 -3.102 -7.756 -0.089
221 HH TYR 32 HH TYR 32 -5.080 -9.708 1.072
222 H PHE 33 HN PHE 33 -7.850 -5.593 -0.730
223 HA PHE 33 HA PHE 33 -10.411 -4.713 -0.787
224 1HB PHE 33 HB2 PHE 33 -9.335 -6.869 1.032
225 2HB PHE 33 HB1 PHE 33 -11.033 -6.676 0.608
226 HD1 PHE 33 HD1 PHE 33 -7.950 -8.214 -0.258
227 HD2 PHE 33 HD2 PHE 33 -11.609 -6.774 -1.908
228 HE1 PHE 33 HE1 PHE 33 -7.604 -9.612 -2.249
229 HE2 PHE 33 HE2 PHE 33 -11.264 -8.174 -3.897
230 HZ PHE 33 HZ PHE 33 -9.258 -9.594 -4.072
231 H LEU 34 HN LEU 34 -8.449 -4.882 2.184
232 HA LEU 34 HA LEU 34 -10.595 -3.607 3.666
233 1HB LEU 34 HB2 LEU 34 -8.014 -4.818 4.581
234 2HB LEU 34 HB1 LEU 34 -9.196 -4.126 5.644
235 HG LEU 34 HG LEU 34 -9.551 -6.407 5.818
236 1HD1 LEU 34 HD11 LEU 34 -11.737 -6.792 4.958
237 2HD1 LEU 34 HD12 LEU 34 -11.529 -5.576 3.702
238 3HD1 LEU 34 HD13 LEU 34 -11.615 -5.091 5.397
239 1HD2 LEU 34 HD21 LEU 34 -8.141 -6.903 3.737
240 2HD2 LEU 34 HD22 LEU 34 -9.658 -6.796 2.862
241 3HD2 LEU 34 HD23 LEU 34 -9.468 -7.995 4.121
242 H GLY 35 HN GLY 35 -8.166 -2.275 1.874
243 1HA GLY 35 HA2 GLY 35 -8.525 0.247 2.744
244 2HA GLY 35 HA1 GLY 35 -7.312 -0.341 3.850
245 H THR 36 HN THR 36 -5.932 1.285 3.109
246 HA THR 36 HA THR 36 -5.195 1.383 0.317
247 HB THR 36 HB THR 36 -3.902 2.922 2.597
248 HG1 THR 36 HG1 THR 36 -6.301 3.567 1.160
249 1HG2 THR 36 HG21 THR 36 -2.785 3.083 0.429
250 2HG2 THR 36 HG22 THR 36 -3.564 4.607 0.851
251 3HG2 THR 36 HG23 THR 36 -4.310 3.538 -0.336
252 H CYS 37 HN CYS 37 -3.672 0.124 -0.531
253 HA CYS 37 HA CYS 37 -1.765 -1.245 1.182
254 1HB CYS 37 HB2 CYS 37 -2.848 -2.598 -0.423
255 2HB CYS 37 HB1 CYS 37 -2.469 -1.502 -1.716
256 H CYS 38 HN CYS 38 0.006 -0.144 1.724
257 HA CYS 38 HA CYS 38 1.268 1.624 -0.277
258 1HB CYS 38 HB2 CYS 38 1.754 1.397 2.701
259 2HB CYS 38 HB1 CYS 38 2.476 2.568 1.606
260 H THR 39 HN THR 39 2.672 0.499 -1.505
261 HA THR 39 HA THR 39 4.222 -1.631 -0.216
262 HB THR 39 HB THR 39 4.492 -2.354 -2.717
263 HG1 THR 39 HG1 THR 39 1.999 -0.981 -2.893
264 1HG2 THR 39 HG21 THR 39 2.146 -2.717 -0.911
265 2HG2 THR 39 HG22 THR 39 3.415 -3.847 -1.346
266 3HG2 THR 39 HG23 THR 39 2.171 -3.453 -2.502
267 HA PRO 40 HA PRO 40 7.959 0.406 -1.673
268 1HB PRO 40 HB2 PRO 40 9.504 -0.177 0.450
269 2HB PRO 40 HB1 PRO 40 8.346 1.123 0.478
270 1HG PRO 40 HG2 PRO 40 8.161 -1.499 1.796
271 2HG PRO 40 HG1 PRO 40 7.472 0.061 2.263
272 1HD PRO 40 HD2 PRO 40 6.229 -2.057 0.868
273 2HD PRO 40 HD1 PRO 40 5.493 -0.542 1.303
274 H ALA 41 HN ALA 41 9.521 -1.957 0.222
275 HA ALA 41 HA ALA 41 9.175 -4.198 -1.483
276 1HB ALA 41 HB1 ALA 41 11.835 -2.778 -1.565
277 2HB ALA 41 HB2 ALA 41 10.679 -2.875 -2.892
278 3HB ALA 41 HB3 ALA 41 11.463 -4.339 -2.301
279 H ASP 42 HN ASP 42 8.589 -4.215 1.035
280 HA ASP 42 HA ASP 42 10.950 -4.975 2.608
281 1HB ASP 42 HB2 ASP 42 9.328 -3.349 3.545
282 2HB ASP 42 HB1 ASP 42 8.082 -4.592 3.505
Start of MODEL 2
1 1H GLY 1 HT1 GLY 1 1.565 -9.862 10.634
2 2H GLY 1 HT2 GLY 1 2.893 -9.085 11.335
3 3H GLY 1 HT3 GLY 1 2.875 -9.382 9.671
4 1HA GLY 1 HA1 GLY 1 1.050 -7.555 11.138
5 2HA GLY 1 HA2 GLY 1 2.410 -7.057 10.140
6 H THR 2 HN THR 2 0.419 -5.852 9.211
7 HA THR 2 HA THR 2 -1.265 -7.480 7.495
8 HB THR 2 HB THR 2 -2.147 -5.167 6.786
9 HG1 THR 2 HG1 THR 2 -0.776 -4.218 9.074
10 1HG2 THR 2 HG21 THR 2 -3.298 -6.577 8.408
11 2HG2 THR 2 HG22 THR 2 -3.412 -4.870 8.834
12 3HG2 THR 2 HG23 THR 2 -2.283 -5.918 9.693
13 H ALA 3 HN ALA 3 0.866 -8.255 6.515
14 HA ALA 3 HA ALA 3 2.279 -6.584 4.729
15 1HB ALA 3 HB1 ALA 3 3.293 -8.634 3.909
16 2HB ALA 3 HB2 ALA 3 2.072 -9.591 4.752
17 3HB ALA 3 HB3 ALA 3 3.225 -8.625 5.671
18 H CYS 4 HN CYS 4 2.173 -6.371 2.531
19 HA CYS 4 HA CYS 4 0.100 -7.715 0.997
20 1HB CYS 4 HB2 CYS 4 -1.180 -5.898 1.902
21 2HB CYS 4 HB1 CYS 4 0.088 -4.740 1.533
22 H SER 5 HN SER 5 0.476 -7.590 -1.251
23 HA SER 5 HA SER 5 2.913 -6.170 -2.068
24 1HB SER 5 HB2 SER 5 3.523 -8.381 -3.318
25 2HB SER 5 HB1 SER 5 3.894 -8.202 -1.605
26 HG SER 5 HG SER 5 2.911 -10.179 -1.917
27 H CYS 6 HN CYS 6 2.752 -5.198 -3.922
28 HA CYS 6 HA CYS 6 0.605 -5.935 -5.814
29 1HB CYS 6 HB2 CYS 6 2.167 -3.341 -5.609
30 2HB CYS 6 HB1 CYS 6 0.834 -3.683 -6.709
31 H GLY 7 HN GLY 7 1.841 -7.660 -6.714
32 1HA GLY 7 HA2 GLY 7 3.239 -8.570 -8.261
33 2HA GLY 7 HA1 GLY 7 3.440 -6.955 -8.923
34 H ASN 8 HN ASN 8 5.337 -5.919 -8.609
35 HA ASN 8 HA ASN 8 7.482 -7.398 -7.300
36 1HB ASN 8 HB2 ASN 8 7.542 -4.741 -8.754
37 2HB ASN 8 HB1 ASN 8 8.951 -5.635 -8.189
38 1HD2 ASN 8 HD21 ASN 8 8.384 -4.796 -10.864
39 2HD2 ASN 8 HD22 ASN 8 8.279 -6.235 -11.814
40 H SER 9 HN SER 9 5.485 -4.576 -6.730
41 HA SER 9 HA SER 9 7.198 -3.507 -4.682
42 1HB SER 9 HB2 SER 9 4.317 -2.812 -5.322
43 2HB SER 9 HB1 SER 9 5.469 -1.837 -4.405
44 HG SER 9 HG SER 9 6.594 -1.426 -6.247
45 H LYS 10 HN LYS 10 7.289 -4.243 -2.639
46 HA LYS 10 HA LYS 10 4.956 -5.720 -1.559
47 1HB LYS 10 HB2 LYS 10 7.895 -6.243 -1.081
48 2HB LYS 10 HB1 LYS 10 6.557 -7.132 -0.356
49 1HG LYS 10 HG2 LYS 10 5.889 -7.985 -2.500
50 2HG LYS 10 HG1 LYS 10 7.101 -6.995 -3.318
51 1HD LYS 10 HD2 LYS 10 8.881 -8.225 -2.156
52 2HD LYS 10 HD1 LYS 10 7.664 -9.221 -1.352
53 1HE LYS 10 HE2 LYS 10 6.931 -10.108 -3.471
54 2HE LYS 10 HE1 LYS 10 8.018 -9.029 -4.344
55 1HZ LYS 10 HZ1 LYS 10 8.923 -11.251 -4.188
56 2HZ LYS 10 HZ2 LYS 10 8.854 -11.205 -2.500
57 3HZ LYS 10 HZ3 LYS 10 9.898 -10.165 -3.334
58 H GLY 11 HN GLY 11 4.221 -5.116 0.418
59 1HA GLY 11 HA2 GLY 11 5.840 -3.755 2.352
60 2HA GLY 11 HA1 GLY 11 4.813 -2.657 1.471
61 H ILE 12 HN ILE 12 3.389 -2.032 2.971
62 HA ILE 12 HA ILE 12 1.849 -4.138 4.386
63 HB ILE 12 HB ILE 12 2.692 -1.429 5.463
64 1HG1 ILE 12 HG12 ILE 12 4.650 -2.878 5.237
65 2HG1 ILE 12 HG11 ILE 12 4.238 -2.649 6.928
66 1HG2 ILE 12 HG21 ILE 12 1.922 -2.346 7.627
67 2HG2 ILE 12 HG22 ILE 12 1.310 -3.762 6.777
68 3HG2 ILE 12 HG23 ILE 12 0.627 -2.172 6.449
69 1HD1 ILE 12 HD11 ILE 12 3.180 -4.864 6.955
70 2HD1 ILE 12 HD12 ILE 12 4.880 -4.931 6.507
71 3HD1 ILE 12 HD13 ILE 12 3.643 -5.084 5.275
72 H TYR 13 HN TYR 13 -0.390 -3.828 4.516
73 HA TYR 13 HA TYR 13 -1.371 -1.439 3.103
74 1HB TYR 13 HB2 TYR 13 -3.215 -2.566 2.361
75 2HB TYR 13 HB1 TYR 13 -2.003 -3.823 2.317
76 HD1 TYR 13 HD1 TYR 13 -2.016 -5.615 4.082
77 HD2 TYR 13 HD2 TYR 13 -5.148 -2.737 3.744
78 HE1 TYR 13 HE1 TYR 13 -3.496 -7.065 5.404
79 HE2 TYR 13 HE2 TYR 13 -6.583 -4.171 5.087
80 HH TYR 13 HH TYR 13 -5.835 -6.375 6.980
81 H TRP 14 HN TRP 14 -2.749 -0.057 3.996
82 HA TRP 14 HA TRP 14 -3.134 -0.261 6.909
83 1HB TRP 14 HB2 TRP 14 -3.155 2.125 5.037
84 2HB TRP 14 HB1 TRP 14 -3.414 2.201 6.777
85 HD1 TRP 14 HD1 TRP 14 -0.591 0.574 4.614
86 HE1 TRP 14 HE1 TRP 14 1.664 1.300 5.598
87 HE3 TRP 14 HE3 TRP 14 -2.286 3.565 8.397
88 HZ2 TRP 14 HZ2 TRP 14 2.609 2.938 7.694
89 HZ3 TRP 14 HZ3 TRP 14 -0.637 4.684 9.839
90 HH2 TRP 14 HH2 TRP 14 1.759 4.374 9.492
91 H PHE 15 HN PHE 15 -5.181 0.195 7.796
92 HA PHE 15 HA PHE 15 -7.317 -0.683 6.112
93 1HB PHE 15 HB2 PHE 15 -7.266 0.133 9.006
94 2HB PHE 15 HB1 PHE 15 -8.708 -0.468 8.192
95 HD1 PHE 15 HD1 PHE 15 -8.632 -2.766 7.154
96 HD2 PHE 15 HD2 PHE 15 -5.688 -1.378 9.890
97 HE1 PHE 15 HE1 PHE 15 -7.961 -5.092 7.597
98 HE2 PHE 15 HE2 PHE 15 -5.012 -3.697 10.343
99 HZ PHE 15 HZ PHE 15 -6.148 -5.559 9.198
100 H TYR 16 HN TYR 16 -7.839 0.806 4.642
101 HA TYR 16 HA TYR 16 -8.754 2.574 3.620
102 1HB TYR 16 HB2 TYR 16 -10.269 2.733 6.233
103 2HB TYR 16 HB1 TYR 16 -10.756 3.482 4.715
104 HD1 TYR 16 HD1 TYR 16 -11.125 0.621 6.740
105 HD2 TYR 16 HD2 TYR 16 -10.966 1.839 2.659
106 HE1 TYR 16 HE1 TYR 16 -12.278 -1.444 6.082
107 HE2 TYR 16 HE2 TYR 16 -12.123 -0.223 2.008
108 HH TYR 16 HH TYR 16 -13.861 -1.953 3.568
109 H ARG 17 HN ARG 17 -6.670 3.662 3.686
110 HA ARG 17 HA ARG 17 -6.729 6.014 5.432
111 1HB ARG 17 HB2 ARG 17 -4.419 4.427 4.371
112 2HB ARG 17 HB1 ARG 17 -4.201 6.077 4.944
113 1HG ARG 17 HG2 ARG 17 -5.332 3.811 6.585
114 2HG ARG 17 HG1 ARG 17 -3.666 4.394 6.648
115 1HD ARG 17 HD2 ARG 17 -4.349 6.516 7.427
116 2HD ARG 17 HD1 ARG 17 -6.052 6.171 7.177
117 HE ARG 17 HE ARG 17 -5.301 4.261 8.940
118 1HH1 ARG 17 HH11 ARG 17 -4.937 7.754 8.883
119 2HH1 ARG 17 HH12 ARG 17 -5.140 7.911 10.584
120 1HH2 ARG 17 HH21 ARG 17 -5.593 4.506 11.200
121 2HH2 ARG 17 HH22 ARG 17 -5.514 6.088 11.904
122 HA PRO 18 HA PRO 18 -7.319 8.050 1.486
123 1HB PRO 18 HB2 PRO 18 -7.959 10.476 2.494
124 2HB PRO 18 HB1 PRO 18 -9.075 9.108 2.543
125 1HG PRO 18 HG2 PRO 18 -7.300 10.164 4.706
126 2HG PRO 18 HG1 PRO 18 -8.997 9.655 4.796
127 1HD PRO 18 HD2 PRO 18 -6.910 8.085 5.564
128 2HD PRO 18 HD1 PRO 18 -8.448 7.434 4.962
129 H SER 19 HN SER 19 -4.740 8.056 3.437
130 HA SER 19 HA SER 19 -3.197 9.706 1.675
131 1HB SER 19 HB2 SER 19 -3.329 10.303 4.645
132 2HB SER 19 HB1 SER 19 -2.152 10.992 3.524
133 HG SER 19 HG SER 19 -3.752 12.116 2.525
134 H CYS 20 HN CYS 20 -1.718 8.246 1.112
135 HA CYS 20 HA CYS 20 -0.774 6.287 3.032
136 1HB CYS 20 HB2 CYS 20 -1.201 5.522 0.779
137 2HB CYS 20 HB1 CYS 20 -0.069 6.701 0.132
138 HA PRO 21 HA PRO 21 2.588 9.071 4.158
139 1HB PRO 21 HB2 PRO 21 3.853 7.332 5.831
140 2HB PRO 21 HB1 PRO 21 2.432 8.243 6.277
141 1HG PRO 21 HG2 PRO 21 2.617 5.409 5.428
142 2HG PRO 21 HG1 PRO 21 1.633 6.125 6.685
143 1HD PRO 21 HD2 PRO 21 0.671 5.452 4.245
144 2HD PRO 21 HD1 PRO 21 0.011 6.786 5.213
145 H THR 22 HN THR 22 3.198 8.726 1.826
146 HA THR 22 HA THR 22 4.922 6.582 1.133
147 HB THR 22 HB THR 22 3.429 7.622 -0.520
148 HG1 THR 22 HG1 THR 22 6.150 8.053 -1.299
149 1HG2 THR 22 HG21 THR 22 3.909 9.814 -1.442
150 2HG2 THR 22 HG22 THR 22 5.226 10.038 -0.299
151 3HG2 THR 22 HG23 THR 22 3.565 9.942 0.277
152 H ASP 23 HN ASP 23 5.630 9.086 3.054
153 HA ASP 23 HA ASP 23 8.245 9.786 2.047
154 1HB ASP 23 HB2 ASP 23 7.144 10.224 4.836
155 2HB ASP 23 HB1 ASP 23 8.456 11.088 4.038
156 H ARG 24 HN ARG 24 6.881 7.104 3.459
157 HA ARG 24 HA ARG 24 9.253 6.386 5.018
158 1HB ARG 24 HB2 ARG 24 6.416 5.352 5.022
159 2HB ARG 24 HB1 ARG 24 7.720 4.666 5.989
160 1HG ARG 24 HG2 ARG 24 7.901 6.556 7.335
161 2HG ARG 24 HG1 ARG 24 7.009 7.575 6.204
162 1HD ARG 24 HD2 ARG 24 5.668 7.043 8.130
163 2HD ARG 24 HD1 ARG 24 4.983 6.335 6.685
164 HE ARG 24 HE ARG 24 6.316 4.247 7.567
165 1HH1 ARG 24 HH11 ARG 24 4.319 6.512 9.369
166 2HH1 ARG 24 HH12 ARG 24 3.844 5.328 10.520
167 1HH2 ARG 24 HH21 ARG 24 5.656 2.705 9.090
168 2HH2 ARG 24 HH22 ARG 24 4.588 3.169 10.373
169 H GLY 25 HN GLY 25 9.433 6.251 2.192
170 1HA GLY 25 HA2 GLY 25 10.660 4.784 0.939
171 2HA GLY 25 HA1 GLY 25 10.275 3.493 2.061
172 H TYR 26 HN TYR 26 7.289 4.399 1.608
173 HA TYR 26 HA TYR 26 6.589 2.336 -0.088
174 1HB TYR 26 HB2 TYR 26 5.011 4.850 0.440
175 2HB TYR 26 HB1 TYR 26 4.365 3.356 -0.207
176 HD1 TYR 26 HD1 TYR 26 4.095 5.133 2.536
177 HD2 TYR 26 HD2 TYR 26 5.470 1.298 1.478
178 HE1 TYR 26 HE1 TYR 26 3.639 4.350 4.808
179 HE2 TYR 26 HE2 TYR 26 4.989 0.474 3.748
180 HH TYR 26 HH TYR 26 4.785 1.981 6.233
181 H THR 27 HN THR 27 6.340 2.111 -2.251
182 HA THR 27 HA THR 27 6.894 4.482 -3.934
183 HB THR 27 HB THR 27 8.694 2.709 -3.940
184 HG1 THR 27 HG1 THR 27 8.625 3.974 -5.748
185 1HG2 THR 27 HG21 THR 27 6.597 1.037 -5.333
186 2HG2 THR 27 HG22 THR 27 7.240 0.746 -3.725
187 3HG2 THR 27 HG23 THR 27 8.293 0.635 -5.116
188 H GLY 28 HN GLY 28 4.698 1.931 -3.183
189 1HA GLY 28 HA2 GLY 28 2.976 2.800 -5.420
190 2HA GLY 28 HA1 GLY 28 3.178 1.103 -5.007
191 H SER 29 HN SER 29 0.749 2.636 -5.037
192 HA SER 29 HA SER 29 -0.116 2.106 -2.276
193 1HB SER 29 HB2 SER 29 -0.812 4.648 -3.774
194 2HB SER 29 HB1 SER 29 -1.331 4.198 -2.147
195 HG SER 29 HG SER 29 0.525 5.664 -2.299
196 H CYS 30 HN CYS 30 -1.074 0.243 -3.110
197 HA CYS 30 HA CYS 30 -3.024 0.503 -5.277
198 1HB CYS 30 HB2 CYS 30 -2.355 -1.994 -3.721
199 2HB CYS 30 HB1 CYS 30 -3.041 -1.860 -5.331
200 H ARG 31 HN ARG 31 -5.227 -0.123 -5.064
201 HA ARG 31 HA ARG 31 -6.358 0.352 -2.429
202 1HB ARG 31 HB2 ARG 31 -7.636 1.296 -4.184
203 2HB ARG 31 HB1 ARG 31 -7.604 -0.193 -5.118
204 1HG ARG 31 HG2 ARG 31 -9.784 0.205 -4.102
205 2HG ARG 31 HG1 ARG 31 -9.065 -1.279 -3.497
206 1HD ARG 31 HD2 ARG 31 -8.242 0.164 -1.523
207 2HD ARG 31 HD1 ARG 31 -9.361 1.368 -2.126
208 HE ARG 31 HE ARG 31 -10.114 -1.363 -1.244
209 1HH1 ARG 31 HH11 ARG 31 -10.781 2.084 -1.380
210 2HH1 ARG 31 HH12 ARG 31 -12.321 1.925 -0.641
211 1HH2 ARG 31 HH21 ARG 31 -12.170 -1.535 -0.233
212 2HH2 ARG 31 HH22 ARG 31 -13.119 -0.107 0.017
213 H TYR 32 HN TYR 32 -6.286 -1.241 -1.018
214 HA TYR 32 HA TYR 32 -6.534 -4.034 -1.925
215 1HB TYR 32 HB2 TYR 32 -4.626 -3.297 -0.437
216 2HB TYR 32 HB1 TYR 32 -5.792 -3.017 0.837
217 HD1 TYR 32 HD1 TYR 32 -6.729 -4.869 2.054
218 HD2 TYR 32 HD2 TYR 32 -4.188 -5.582 -1.276
219 HE1 TYR 32 HE1 TYR 32 -6.586 -7.238 2.681
220 HE2 TYR 32 HE2 TYR 32 -4.025 -7.950 -0.651
221 HH TYR 32 HH TYR 32 -5.955 -9.541 1.026
222 H PHE 33 HN PHE 33 -7.991 -5.407 -0.699
223 HA PHE 33 HA PHE 33 -10.590 -4.597 -0.670
224 1HB PHE 33 HB2 PHE 33 -9.362 -6.666 1.161
225 2HB PHE 33 HB1 PHE 33 -11.081 -6.532 0.804
226 HD1 PHE 33 HD1 PHE 33 -11.915 -7.058 -1.465
227 HD2 PHE 33 HD2 PHE 33 -7.845 -7.684 -0.364
228 HE1 PHE 33 HE1 PHE 33 -11.615 -8.527 -3.412
229 HE2 PHE 33 HE2 PHE 33 -7.541 -9.151 -2.312
230 HZ PHE 33 HZ PHE 33 -9.426 -9.576 -3.840
231 H LEU 34 HN LEU 34 -8.477 -4.655 2.201
232 HA LEU 34 HA LEU 34 -10.545 -3.290 3.732
233 1HB LEU 34 HB2 LEU 34 -7.985 -4.554 4.612
234 2HB LEU 34 HB1 LEU 34 -9.114 -3.800 5.676
235 HG LEU 34 HG LEU 34 -9.521 -6.068 5.935
236 1HD1 LEU 34 HD11 LEU 34 -11.739 -6.413 5.140
237 2HD1 LEU 34 HD12 LEU 34 -11.529 -5.238 3.845
238 3HD1 LEU 34 HD13 LEU 34 -11.558 -4.704 5.528
239 1HD2 LEU 34 HD21 LEU 34 -9.974 -6.816 3.135
240 2HD2 LEU 34 HD22 LEU 34 -9.146 -7.667 4.430
241 3HD2 LEU 34 HD23 LEU 34 -8.304 -6.421 3.525
242 H GLY 35 HN GLY 35 -8.345 -2.059 1.738
243 1HA GLY 35 HA2 GLY 35 -8.603 0.461 2.428
244 2HA GLY 35 HA1 GLY 35 -7.386 -0.033 3.566
245 H THR 36 HN THR 36 -5.641 1.010 2.988
246 HA THR 36 HA THR 36 -4.973 1.175 0.135
247 HB THR 36 HB THR 36 -3.669 2.768 2.362
248 HG1 THR 36 HG1 THR 36 -6.135 3.374 1.026
249 1HG2 THR 36 HG21 THR 36 -2.673 2.871 0.119
250 2HG2 THR 36 HG22 THR 36 -3.397 4.411 0.579
251 3HG2 THR 36 HG23 THR 36 -4.235 3.349 -0.551
252 H CYS 37 HN CYS 37 -3.602 -0.343 -0.532
253 HA CYS 37 HA CYS 37 -1.683 -1.559 1.241
254 1HB CYS 37 HB2 CYS 37 -2.821 -2.986 -0.303
255 2HB CYS 37 HB1 CYS 37 -2.300 -2.009 -1.656
256 H CYS 38 HN CYS 38 -0.119 -0.137 1.799
257 HA CYS 38 HA CYS 38 1.183 1.439 -0.293
258 1HB CYS 38 HB2 CYS 38 1.500 1.392 2.709
259 2HB CYS 38 HB1 CYS 38 2.424 2.421 1.636
260 H THR 39 HN THR 39 2.661 0.371 -1.436
261 HA THR 39 HA THR 39 4.325 -1.609 -0.052
262 HB THR 39 HB THR 39 4.548 -2.562 -2.421
263 HG1 THR 39 HG1 THR 39 2.117 -1.133 -2.839
264 1HG2 THR 39 HG21 THR 39 3.339 -3.989 -1.180
265 2HG2 THR 39 HG22 THR 39 2.023 -3.387 -2.162
266 3HG2 THR 39 HG23 THR 39 2.274 -2.740 -0.540
267 HA PRO 40 HA PRO 40 7.849 0.622 -1.764
268 1HB PRO 40 HB2 PRO 40 9.575 0.014 0.260
269 2HB PRO 40 HB1 PRO 40 8.447 1.322 0.296
270 1HG PRO 40 HG2 PRO 40 8.346 -1.136 1.816
271 2HG PRO 40 HG1 PRO 40 7.535 0.407 2.108
272 1HD PRO 40 HD2 PRO 40 6.523 -1.968 0.869
273 2HD PRO 40 HD1 PRO 40 5.616 -0.548 1.326
274 H ALA 41 HN ALA 41 9.509 -1.778 0.048
275 HA ALA 41 HA ALA 41 9.271 -3.892 -1.879
276 1HB ALA 41 HB1 ALA 41 11.943 -2.537 -1.484
277 2HB ALA 41 HB2 ALA 41 10.961 -2.473 -2.946
278 3HB ALA 41 HB3 ALA 41 11.647 -4.008 -2.415
279 H ASP 42 HN ASP 42 8.936 -3.208 1.062
280 HA ASP 42 HA ASP 42 10.608 -5.364 2.170
281 1HB ASP 42 HB2 ASP 42 11.512 -3.136 2.766
282 2HB ASP 42 HB1 ASP 42 9.961 -2.707 3.479
Start of MODEL 3
1 1H GLY 1 HT1 GLY 1 1.917 -8.468 11.501
2 2H GLY 1 HT2 GLY 1 3.538 -8.035 11.705
3 3H GLY 1 HT3 GLY 1 3.103 -9.112 10.476
4 1HA GLY 1 HA1 GLY 1 2.339 -6.250 10.649
5 2HA GLY 1 HA2 GLY 1 3.567 -6.920 9.581
6 H THR 2 HN THR 2 0.885 -5.528 9.151
7 HA THR 2 HA THR 2 -0.685 -7.529 7.749
8 HB THR 2 HB THR 2 -1.909 -5.349 6.968
9 HG1 THR 2 HG1 THR 2 -1.405 -3.518 8.036
10 1HG2 THR 2 HG21 THR 2 -2.809 -6.884 8.639
11 2HG2 THR 2 HG22 THR 2 -3.127 -5.203 9.065
12 3HG2 THR 2 HG23 THR 2 -1.840 -6.090 9.882
13 H ALA 3 HN ALA 3 1.270 -8.162 6.516
14 HA ALA 3 HA ALA 3 2.349 -6.380 4.598
15 1HB ALA 3 HB1 ALA 3 3.666 -8.141 5.627
16 2HB ALA 3 HB2 ALA 3 3.681 -8.268 3.869
17 3HB ALA 3 HB3 ALA 3 2.672 -9.356 4.826
18 H CYS 4 HN CYS 4 1.980 -6.157 2.480
19 HA CYS 4 HA CYS 4 0.274 -8.072 1.068
20 1HB CYS 4 HB2 CYS 4 -1.081 -6.280 0.080
21 2HB CYS 4 HB1 CYS 4 -1.279 -6.332 1.823
22 H SER 5 HN SER 5 0.503 -7.863 -1.268
23 HA SER 5 HA SER 5 2.756 -6.215 -2.148
24 1HB SER 5 HB2 SER 5 3.637 -8.303 -3.392
25 2HB SER 5 HB1 SER 5 3.937 -8.169 -1.663
26 HG SER 5 HG SER 5 2.421 -9.682 -1.251
27 H CYS 6 HN CYS 6 2.479 -5.379 -4.125
28 HA CYS 6 HA CYS 6 0.505 -6.641 -5.912
29 1HB CYS 6 HB2 CYS 6 -0.357 -4.390 -6.519
30 2HB CYS 6 HB1 CYS 6 -0.723 -4.862 -4.866
31 H GLY 7 HN GLY 7 1.169 -6.790 -7.959
32 1HA GLY 7 HA2 GLY 7 2.511 -6.612 -9.792
33 2HA GLY 7 HA1 GLY 7 3.038 -5.039 -9.206
34 H ASN 8 HN ASN 8 5.008 -4.866 -8.240
35 HA ASN 8 HA ASN 8 6.446 -7.366 -7.579
36 1HB ASN 8 HB2 ASN 8 7.439 -5.025 -9.208
37 2HB ASN 8 HB1 ASN 8 8.540 -6.156 -8.426
38 1HD2 ASN 8 HD21 ASN 8 8.662 -8.283 -9.173
39 2HD2 ASN 8 HD22 ASN 8 8.039 -8.721 -10.724
40 H SER 9 HN SER 9 5.068 -4.829 -6.198
41 HA SER 9 HA SER 9 7.369 -4.235 -4.461
42 1HB SER 9 HB2 SER 9 5.944 -2.230 -3.787
43 2HB SER 9 HB1 SER 9 6.623 -2.233 -5.403
44 HG SER 9 HG SER 9 4.456 -1.632 -5.494
45 H LYS 10 HN LYS 10 7.296 -4.580 -2.330
46 HA LYS 10 HA LYS 10 4.906 -5.951 -1.219
47 1HB LYS 10 HB2 LYS 10 7.843 -6.273 -0.561
48 2HB LYS 10 HB1 LYS 10 6.525 -7.021 0.337
49 1HG LYS 10 HG2 LYS 10 5.969 -8.446 -1.433
50 2HG LYS 10 HG1 LYS 10 6.923 -7.525 -2.598
51 1HD LYS 10 HD2 LYS 10 8.012 -9.631 -1.922
52 2HD LYS 10 HD1 LYS 10 8.970 -8.209 -1.508
53 1HE LYS 10 HE2 LYS 10 8.014 -8.371 0.820
54 2HE LYS 10 HE1 LYS 10 7.293 -9.899 0.338
55 1HZ LYS 10 HZ1 LYS 10 9.511 -10.742 -0.111
56 2HZ LYS 10 HZ2 LYS 10 9.387 -10.198 1.485
57 3HZ LYS 10 HZ3 LYS 10 10.193 -9.256 0.335
58 H GLY 11 HN GLY 11 4.077 -5.182 0.689
59 1HA GLY 11 HA2 GLY 11 5.619 -3.608 2.504
60 2HA GLY 11 HA1 GLY 11 4.573 -2.602 1.539
61 H ILE 12 HN ILE 12 3.223 -1.924 3.106
62 HA ILE 12 HA ILE 12 1.707 -3.979 4.590
63 HB ILE 12 HB ILE 12 2.654 -1.258 5.515
64 1HG1 ILE 12 HG12 ILE 12 4.443 -2.929 5.496
65 2HG1 ILE 12 HG11 ILE 12 4.000 -2.514 7.147
66 1HG2 ILE 12 HG21 ILE 12 1.731 -2.045 7.749
67 2HG2 ILE 12 HG22 ILE 12 0.866 -3.279 6.836
68 3HG2 ILE 12 HG23 ILE 12 0.552 -1.574 6.530
69 1HD1 ILE 12 HD11 ILE 12 2.578 -4.608 7.162
70 2HD1 ILE 12 HD12 ILE 12 4.319 -4.844 7.082
71 3HD1 ILE 12 HD13 ILE 12 3.348 -5.010 5.632
72 H TYR 13 HN TYR 13 -0.488 -3.833 4.501
73 HA TYR 13 HA TYR 13 -1.567 -1.520 3.069
74 1HB TYR 13 HB2 TYR 13 -3.434 -2.739 2.494
75 2HB TYR 13 HB1 TYR 13 -2.189 -3.941 2.439
76 HD1 TYR 13 HD1 TYR 13 -1.996 -5.662 4.240
77 HD2 TYR 13 HD2 TYR 13 -5.255 -2.919 4.033
78 HE1 TYR 13 HE1 TYR 13 -3.306 -7.104 5.737
79 HE2 TYR 13 HE2 TYR 13 -6.530 -4.348 5.564
80 HH TYR 13 HH TYR 13 -5.554 -6.405 7.476
81 H TRP 14 HN TRP 14 -2.977 -0.133 3.916
82 HA TRP 14 HA TRP 14 -3.297 -0.207 6.846
83 1HB TRP 14 HB2 TRP 14 -3.401 2.103 4.881
84 2HB TRP 14 HB1 TRP 14 -3.649 2.214 6.622
85 HD1 TRP 14 HD1 TRP 14 -0.824 0.981 4.256
86 HE1 TRP 14 HE1 TRP 14 1.421 1.646 5.316
87 HE3 TRP 14 HE3 TRP 14 -2.564 3.152 8.549
88 HZ2 TRP 14 HZ2 TRP 14 2.337 2.930 7.658
89 HZ3 TRP 14 HZ3 TRP 14 -0.935 4.081 10.144
90 HH2 TRP 14 HH2 TRP 14 1.463 3.972 9.705
91 H PHE 15 HN PHE 15 -5.328 0.301 7.743
92 HA PHE 15 HA PHE 15 -7.489 -0.735 6.177
93 1HB PHE 15 HB2 PHE 15 -7.336 0.250 9.015
94 2HB PHE 15 HB1 PHE 15 -8.821 -0.366 8.297
95 HD1 PHE 15 HD1 PHE 15 -5.531 -1.247 9.617
96 HD2 PHE 15 HD2 PHE 15 -9.032 -2.716 7.674
97 HE1 PHE 15 HE1 PHE 15 -4.873 -3.551 10.170
98 HE2 PHE 15 HE2 PHE 15 -8.377 -5.016 8.227
99 HZ PHE 15 HZ PHE 15 -6.294 -5.440 9.474
100 H TYR 16 HN TYR 16 -8.087 0.647 4.632
101 HA TYR 16 HA TYR 16 -8.999 2.369 3.521
102 1HB TYR 16 HB2 TYR 16 -10.543 2.546 6.114
103 2HB TYR 16 HB1 TYR 16 -11.028 3.299 4.597
104 HD1 TYR 16 HD1 TYR 16 -11.226 0.341 6.577
105 HD2 TYR 16 HD2 TYR 16 -11.343 1.743 2.555
106 HE1 TYR 16 HE1 TYR 16 -12.346 -1.735 5.886
107 HE2 TYR 16 HE2 TYR 16 -12.469 -0.325 1.864
108 HH TYR 16 HH TYR 16 -12.450 -2.915 3.050
109 H ARG 17 HN ARG 17 -6.995 3.569 3.494
110 HA ARG 17 HA ARG 17 -7.096 5.969 5.196
111 1HB ARG 17 HB2 ARG 17 -4.679 4.728 3.904
112 2HB ARG 17 HB1 ARG 17 -4.690 6.181 4.896
113 1HG ARG 17 HG2 ARG 17 -5.397 3.399 5.816
114 2HG ARG 17 HG1 ARG 17 -3.896 4.269 6.137
115 1HD ARG 17 HD2 ARG 17 -5.202 6.005 7.292
116 2HD ARG 17 HD1 ARG 17 -6.650 5.024 7.091
117 HE ARG 17 HE ARG 17 -5.214 3.260 8.352
118 1HH1 ARG 17 HH11 ARG 17 -5.362 6.712 8.990
119 2HH1 ARG 17 HH12 ARG 17 -4.945 6.531 10.646
120 1HH2 ARG 17 HH21 ARG 17 -4.667 3.052 10.559
121 2HH2 ARG 17 HH22 ARG 17 -4.556 4.468 11.551
122 HA PRO 18 HA PRO 18 -8.219 7.914 1.341
123 1HB PRO 18 HB2 PRO 18 -7.557 10.432 2.769
124 2HB PRO 18 HB1 PRO 18 -9.073 9.905 2.029
125 1HG PRO 18 HG2 PRO 18 -8.763 9.990 4.682
126 2HG PRO 18 HG1 PRO 18 -9.729 8.726 3.898
127 1HD PRO 18 HD2 PRO 18 -6.948 8.582 4.999
128 2HD PRO 18 HD1 PRO 18 -8.282 7.411 5.093
129 H SER 19 HN SER 19 -5.145 8.152 2.878
130 HA SER 19 HA SER 19 -3.910 8.856 0.342
131 1HB SER 19 HB2 SER 19 -3.309 10.352 2.917
132 2HB SER 19 HB1 SER 19 -2.471 10.556 1.376
133 HG SER 19 HG SER 19 -4.056 12.147 1.640
134 H CYS 20 HN CYS 20 -1.861 7.995 0.118
135 HA CYS 20 HA CYS 20 -1.074 6.088 2.201
136 1HB CYS 20 HB2 CYS 20 -1.354 5.098 0.034
137 2HB CYS 20 HB1 CYS 20 -0.281 6.286 -0.695
138 HA PRO 21 HA PRO 21 2.194 9.054 3.144
139 1HB PRO 21 HB2 PRO 21 3.358 7.590 5.136
140 2HB PRO 21 HB1 PRO 21 1.885 8.534 5.351
141 1HG PRO 21 HG2 PRO 21 2.185 5.599 4.896
142 2HG PRO 21 HG1 PRO 21 1.106 6.460 6.008
143 1HD PRO 21 HD2 PRO 21 0.295 5.457 3.616
144 2HD PRO 21 HD1 PRO 21 -0.448 6.884 4.367
145 H THR 22 HN THR 22 3.194 8.708 1.077
146 HA THR 22 HA THR 22 4.839 6.403 0.609
147 HB THR 22 HB THR 22 5.604 7.764 -1.420
148 HG1 THR 22 HG1 THR 22 4.707 9.742 -1.738
149 1HG2 THR 22 HG21 THR 22 3.466 7.583 -2.577
150 2HG2 THR 22 HG22 THR 22 2.629 7.413 -1.035
151 3HG2 THR 22 HG23 THR 22 3.760 6.167 -1.568
152 H ASP 23 HN ASP 23 5.259 9.176 2.433
153 HA ASP 23 HA ASP 23 8.087 9.506 2.022
154 1HB ASP 23 HB2 ASP 23 6.620 11.379 2.712
155 2HB ASP 23 HB1 ASP 23 6.278 10.546 4.225
156 H ARG 24 HN ARG 24 6.105 7.289 3.639
157 HA ARG 24 HA ARG 24 8.095 6.663 5.687
158 1HB ARG 24 HB2 ARG 24 5.317 6.589 5.671
159 2HB ARG 24 HB1 ARG 24 5.741 4.910 5.468
160 1HG ARG 24 HG2 ARG 24 6.753 6.687 7.673
161 2HG ARG 24 HG1 ARG 24 5.401 5.564 7.809
162 1HD ARG 24 HD2 ARG 24 8.216 4.770 7.095
163 2HD ARG 24 HD1 ARG 24 7.554 4.709 8.723
164 HE ARG 24 HE ARG 24 5.776 3.207 7.427
165 1HH1 ARG 24 HH11 ARG 24 9.297 3.134 7.391
166 2HH1 ARG 24 HH12 ARG 24 9.361 1.467 6.969
167 1HH2 ARG 24 HH21 ARG 24 5.904 0.994 6.901
168 2HH2 ARG 24 HH22 ARG 24 7.440 0.249 6.669
169 H GLY 25 HN GLY 25 8.757 6.313 2.882
170 1HA GLY 25 HA2 GLY 25 10.181 4.787 1.952
171 2HA GLY 25 HA1 GLY 25 9.615 3.560 3.072
172 H TYR 26 HN TYR 26 6.771 4.119 2.380
173 HA TYR 26 HA TYR 26 6.408 2.117 0.512
174 1HB TYR 26 HB2 TYR 26 4.441 4.324 1.144
175 2HB TYR 26 HB1 TYR 26 4.087 2.721 0.510
176 HD1 TYR 26 HD1 TYR 26 5.159 0.779 2.087
177 HD2 TYR 26 HD2 TYR 26 3.948 4.598 3.389
178 HE1 TYR 26 HE1 TYR 26 4.919 -0.105 4.358
179 HE2 TYR 26 HE2 TYR 26 3.695 3.763 5.671
180 HH TYR 26 HH TYR 26 3.247 1.036 6.586
181 H THR 27 HN THR 27 6.421 2.060 -1.661
182 HA THR 27 HA THR 27 6.851 4.604 -3.076
183 HB THR 27 HB THR 27 7.464 1.766 -3.972
184 HG1 THR 27 HG1 THR 27 9.490 2.133 -3.224
185 1HG2 THR 27 HG21 THR 27 8.936 2.954 -5.604
186 2HG2 THR 27 HG22 THR 27 8.179 4.471 -5.122
187 3HG2 THR 27 HG23 THR 27 7.214 3.204 -5.882
188 H GLY 28 HN GLY 28 4.931 1.625 -3.185
189 1HA GLY 28 HA2 GLY 28 3.254 2.842 -5.295
190 2HA GLY 28 HA1 GLY 28 3.437 1.124 -4.980
191 H SER 29 HN SER 29 1.038 2.839 -5.068
192 HA SER 29 HA SER 29 -0.024 2.095 -2.409
193 1HB SER 29 HB2 SER 29 -1.524 4.097 -2.591
194 2HB SER 29 HB1 SER 29 0.183 4.483 -2.389
195 HG SER 29 HG SER 29 -0.785 5.748 -4.025
196 H CYS 30 HN CYS 30 -0.829 0.184 -3.184
197 HA CYS 30 HA CYS 30 -2.756 0.264 -5.409
198 1HB CYS 30 HB2 CYS 30 -1.691 -2.097 -3.836
199 2HB CYS 30 HB1 CYS 30 -2.652 -2.162 -5.311
200 H ARG 31 HN ARG 31 -4.952 -0.292 -5.096
201 HA ARG 31 HA ARG 31 -5.881 0.184 -2.388
202 1HB ARG 31 HB2 ARG 31 -7.025 1.188 -4.342
203 2HB ARG 31 HB1 ARG 31 -7.526 -0.413 -4.862
204 1HG ARG 31 HG2 ARG 31 -8.216 0.597 -2.109
205 2HG ARG 31 HG1 ARG 31 -9.161 1.080 -3.515
206 1HD ARG 31 HD2 ARG 31 -9.783 -1.156 -3.976
207 2HD ARG 31 HD1 ARG 31 -8.635 -1.806 -2.856
208 HE ARG 31 HE ARG 31 -9.932 -1.071 -1.029
209 1HH1 ARG 31 HH11 ARG 31 -11.524 -0.780 -4.157
210 2HH1 ARG 31 HH12 ARG 31 -13.096 -0.717 -3.469
211 1HH2 ARG 31 HH21 ARG 31 -12.036 -1.002 -0.151
212 2HH2 ARG 31 HH22 ARG 31 -13.402 -0.835 -1.202
213 H TYR 32 HN TYR 32 -6.295 -1.334 -0.968
214 HA TYR 32 HA TYR 32 -6.573 -4.131 -1.880
215 1HB TYR 32 HB2 TYR 32 -4.653 -3.423 -0.335
216 2HB TYR 32 HB1 TYR 32 -5.860 -3.189 0.913
217 HD1 TYR 32 HD1 TYR 32 -6.827 -5.089 2.040
218 HD2 TYR 32 HD2 TYR 32 -4.214 -5.670 -1.262
219 HE1 TYR 32 HE1 TYR 32 -6.684 -7.485 2.570
220 HE2 TYR 32 HE2 TYR 32 -4.065 -8.062 -0.726
221 HH TYR 32 HH TYR 32 -4.613 -9.397 1.923
222 H PHE 33 HN PHE 33 -8.198 -5.402 -0.784
223 HA PHE 33 HA PHE 33 -10.701 -4.286 -0.731
224 1HB PHE 33 HB2 PHE 33 -9.757 -6.672 0.863
225 2HB PHE 33 HB1 PHE 33 -11.443 -6.285 0.551
226 HD1 PHE 33 HD1 PHE 33 -12.356 -6.480 -1.721
227 HD2 PHE 33 HD2 PHE 33 -8.357 -7.647 -0.818
228 HE1 PHE 33 HE1 PHE 33 -12.244 -7.727 -3.834
229 HE2 PHE 33 HE2 PHE 33 -8.244 -8.895 -2.932
230 HZ PHE 33 HZ PHE 33 -10.188 -8.936 -4.442
231 H LEU 34 HN LEU 34 -8.492 -4.592 2.005
232 HA LEU 34 HA LEU 34 -10.459 -3.426 3.792
233 1HB LEU 34 HB2 LEU 34 -7.761 -4.593 4.272
234 2HB LEU 34 HB1 LEU 34 -8.742 -3.927 5.558
235 HG LEU 34 HG LEU 34 -9.117 -6.210 5.740
236 1HD1 LEU 34 HD11 LEU 34 -11.374 -6.577 5.153
237 2HD1 LEU 34 HD12 LEU 34 -11.310 -5.418 3.829
238 3HD1 LEU 34 HD13 LEU 34 -11.216 -4.859 5.503
239 1HD2 LEU 34 HD21 LEU 34 -9.323 -6.419 2.743
240 2HD2 LEU 34 HD22 LEU 34 -9.447 -7.738 3.887
241 3HD2 LEU 34 HD23 LEU 34 -7.940 -6.863 3.718
242 H GLY 35 HN GLY 35 -8.209 -2.143 1.733
243 1HA GLY 35 HA2 GLY 35 -8.630 0.401 2.369
244 2HA GLY 35 HA1 GLY 35 -7.380 -0.027 3.495
245 H THR 36 HN THR 36 -5.543 0.843 2.897
246 HA THR 36 HA THR 36 -4.948 0.939 0.008
247 HB THR 36 HB THR 36 -3.816 2.738 2.178
248 HG1 THR 36 HG1 THR 36 -6.080 3.182 0.466
249 1HG2 THR 36 HG21 THR 36 -2.500 2.675 0.138
250 2HG2 THR 36 HG22 THR 36 -3.358 4.210 0.254
251 3HG2 THR 36 HG23 THR 36 -3.945 2.956 -0.836
252 H CYS 37 HN CYS 37 -3.544 -0.565 -0.564
253 HA CYS 37 HA CYS 37 -1.618 -1.667 1.279
254 1HB CYS 37 HB2 CYS 37 -2.728 -3.178 -0.217
255 2HB CYS 37 HB1 CYS 37 -2.199 -2.252 -1.610
256 H CYS 38 HN CYS 38 -0.056 -0.210 1.766
257 HA CYS 38 HA CYS 38 1.220 1.286 -0.395
258 1HB CYS 38 HB2 CYS 38 1.522 1.396 2.604
259 2HB CYS 38 HB1 CYS 38 2.417 2.374 1.486
260 H THR 39 HN THR 39 2.860 0.371 -1.444
261 HA THR 39 HA THR 39 4.452 -1.652 -0.039
262 HB THR 39 HB THR 39 4.667 -2.689 -2.323
263 HG1 THR 39 HG1 THR 39 2.393 -1.076 -2.940
264 1HG2 THR 39 HG21 THR 39 2.281 -2.631 -0.602
265 2HG2 THR 39 HG22 THR 39 3.288 -3.979 -1.125
266 3HG2 THR 39 HG23 THR 39 2.076 -3.320 -2.213
267 HA PRO 40 HA PRO 40 8.073 0.318 -1.824
268 1HB PRO 40 HB2 PRO 40 9.665 0.005 0.399
269 2HB PRO 40 HB1 PRO 40 8.617 1.351 0.098
270 1HG PRO 40 HG2 PRO 40 8.317 -0.675 2.116
271 2HG PRO 40 HG1 PRO 40 7.416 0.833 1.917
272 1HD PRO 40 HD2 PRO 40 6.721 -1.884 1.087
273 2HD PRO 40 HD1 PRO 40 5.667 -0.514 1.315
274 H ALA 41 HN ALA 41 9.423 -1.813 0.551
275 HA ALA 41 HA ALA 41 9.370 -4.197 -1.007
276 1HB ALA 41 HB1 ALA 41 11.788 -4.410 -1.287
277 2HB ALA 41 HB2 ALA 41 12.020 -2.789 -0.626
278 3HB ALA 41 HB3 ALA 41 11.177 -3.004 -2.159
279 H ASP 42 HN ASP 42 8.269 -3.992 1.314
280 HA ASP 42 HA ASP 42 10.126 -4.391 3.500
281 1HB ASP 42 HB2 ASP 42 7.998 -3.158 3.814
282 2HB ASP 42 HB1 ASP 42 7.109 -4.642 3.485
Start of MODEL 4
1 1H GLY 1 HT1 GLY 1 1.572 -9.687 10.592
2 2H GLY 1 HT2 GLY 1 3.021 -8.947 11.053
3 3H GLY 1 HT3 GLY 1 2.818 -9.481 9.462
4 1HA GLY 1 HA1 GLY 1 1.300 -7.294 10.775
5 2HA GLY 1 HA2 GLY 1 2.594 -7.080 9.604
6 H THR 2 HN THR 2 0.442 -5.844 8.848
7 HA THR 2 HA THR 2 -1.305 -7.593 7.297
8 HB THR 2 HB THR 2 -2.277 -5.335 6.564
9 HG1 THR 2 HG1 THR 2 -1.609 -3.524 7.554
10 1HG2 THR 2 HG21 THR 2 -3.321 -6.714 8.278
11 2HG2 THR 2 HG22 THR 2 -3.468 -4.997 8.650
12 3HG2 THR 2 HG23 THR 2 -2.270 -5.980 9.491
13 H ALA 3 HN ALA 3 0.686 -8.403 6.208
14 HA ALA 3 HA ALA 3 2.171 -6.795 4.452
15 1HB ALA 3 HB1 ALA 3 3.048 -8.878 3.571
16 2HB ALA 3 HB2 ALA 3 1.759 -9.777 4.375
17 3HB ALA 3 HB3 ALA 3 2.967 -8.921 5.331
18 H CYS 4 HN CYS 4 1.980 -6.296 2.361
19 HA CYS 4 HA CYS 4 -0.155 -7.488 0.733
20 1HB CYS 4 HB2 CYS 4 -1.146 -5.495 1.733
21 2HB CYS 4 HB1 CYS 4 0.224 -4.524 1.218
22 H SER 5 HN SER 5 0.232 -7.205 -1.566
23 HA SER 5 HA SER 5 2.852 -6.121 -2.281
24 1HB SER 5 HB2 SER 5 2.046 -8.986 -2.824
25 2HB SER 5 HB1 SER 5 3.501 -8.196 -3.435
26 HG SER 5 HG SER 5 3.727 -9.480 -1.452
27 H CYS 6 HN CYS 6 3.037 -5.408 -4.292
28 HA CYS 6 HA CYS 6 0.909 -5.957 -6.248
29 1HB CYS 6 HB2 CYS 6 2.140 -3.227 -5.755
30 2HB CYS 6 HB1 CYS 6 0.926 -3.633 -6.966
31 H GLY 7 HN GLY 7 2.202 -7.391 -7.362
32 1HA GLY 7 HA2 GLY 7 3.757 -7.993 -8.934
33 2HA GLY 7 HA1 GLY 7 4.232 -6.306 -9.077
34 H ASN 8 HN ASN 8 6.276 -5.917 -8.479
35 HA ASN 8 HA ASN 8 7.664 -7.809 -6.710
36 1HB ASN 8 HB2 ASN 8 8.732 -6.934 -8.821
37 2HB ASN 8 HB1 ASN 8 8.786 -5.341 -8.074
38 1HD2 ASN 8 HD21 ASN 8 11.029 -5.226 -8.055
39 2HD2 ASN 8 HD22 ASN 8 11.996 -6.228 -7.034
40 H SER 9 HN SER 9 5.922 -4.887 -6.552
41 HA SER 9 HA SER 9 7.410 -3.694 -4.413
42 1HB SER 9 HB2 SER 9 4.620 -3.079 -5.428
43 2HB SER 9 HB1 SER 9 5.590 -2.066 -4.363
44 HG SER 9 HG SER 9 6.978 -1.639 -6.004
45 H LYS 10 HN LYS 10 7.348 -4.402 -2.384
46 HA LYS 10 HA LYS 10 4.914 -5.789 -1.415
47 1HB LYS 10 HB2 LYS 10 7.815 -6.311 -0.805
48 2HB LYS 10 HB1 LYS 10 6.481 -7.076 0.046
49 1HG LYS 10 HG2 LYS 10 5.746 -8.161 -1.963
50 2HG LYS 10 HG1 LYS 10 6.972 -7.338 -2.916
51 1HD LYS 10 HD2 LYS 10 7.552 -9.220 -0.617
52 2HD LYS 10 HD1 LYS 10 7.545 -9.688 -2.318
53 1HE LYS 10 HE2 LYS 10 9.343 -7.586 -1.098
54 2HE LYS 10 HE1 LYS 10 9.802 -9.232 -1.497
55 1HZ LYS 10 HZ1 LYS 10 9.157 -8.709 -3.845
56 2HZ LYS 10 HZ2 LYS 10 10.509 -7.880 -3.263
57 3HZ LYS 10 HZ3 LYS 10 9.026 -7.085 -3.380
58 H GLY 11 HN GLY 11 4.059 -5.074 0.456
59 1HA GLY 11 HA2 GLY 11 5.596 -3.606 2.376
60 2HA GLY 11 HA1 GLY 11 4.566 -2.575 1.422
61 H ILE 12 HN ILE 12 3.257 -1.952 3.082
62 HA ILE 12 HA ILE 12 1.644 -4.068 4.381
63 HB ILE 12 HB ILE 12 2.713 -1.493 5.568
64 1HG1 ILE 12 HG12 ILE 12 4.428 -3.198 5.405
65 2HG1 ILE 12 HG11 ILE 12 3.972 -2.985 7.089
66 1HG2 ILE 12 HG21 ILE 12 1.743 -2.402 7.705
67 2HG2 ILE 12 HG22 ILE 12 0.872 -3.567 6.713
68 3HG2 ILE 12 HG23 ILE 12 0.572 -1.843 6.516
69 1HD1 ILE 12 HD11 ILE 12 2.487 -5.016 6.795
70 2HD1 ILE 12 HD12 ILE 12 4.222 -5.292 6.723
71 3HD1 ILE 12 HD13 ILE 12 3.283 -5.239 5.245
72 H TYR 13 HN TYR 13 -0.555 -3.723 4.514
73 HA TYR 13 HA TYR 13 -1.488 -1.282 3.178
74 1HB TYR 13 HB2 TYR 13 -3.357 -2.367 2.429
75 2HB TYR 13 HB1 TYR 13 -2.160 -3.644 2.357
76 HD1 TYR 13 HD1 TYR 13 -5.225 -2.476 3.937
77 HD2 TYR 13 HD2 TYR 13 -2.236 -5.512 3.988
78 HE1 TYR 13 HE1 TYR 13 -6.682 -3.895 5.274
79 HE2 TYR 13 HE2 TYR 13 -3.722 -6.951 5.317
80 HH TYR 13 HH TYR 13 -5.855 -6.350 7.014
81 H TRP 14 HN TRP 14 -2.769 0.144 4.136
82 HA TRP 14 HA TRP 14 -3.119 -0.114 7.044
83 1HB TRP 14 HB2 TRP 14 -3.235 2.331 5.250
84 2HB TRP 14 HB1 TRP 14 -3.312 2.321 7.005
85 HD1 TRP 14 HD1 TRP 14 -0.787 1.043 4.329
86 HE1 TRP 14 HE1 TRP 14 1.582 1.585 5.154
87 HE3 TRP 14 HE3 TRP 14 -1.947 3.224 8.802
88 HZ2 TRP 14 HZ2 TRP 14 2.800 2.789 7.394
89 HZ3 TRP 14 HZ3 TRP 14 -0.134 4.058 10.216
90 HH2 TRP 14 HH2 TRP 14 2.197 3.839 9.529
91 H PHE 15 HN PHE 15 -5.126 0.227 8.000
92 HA PHE 15 HA PHE 15 -7.378 -0.437 6.325
93 1HB PHE 15 HB2 PHE 15 -7.183 0.155 9.282
94 2HB PHE 15 HB1 PHE 15 -8.662 -0.354 8.476
95 HD1 PHE 15 HD1 PHE 15 -5.444 -1.418 9.789
96 HD2 PHE 15 HD2 PHE 15 -8.848 -2.615 7.523
97 HE1 PHE 15 HE1 PHE 15 -4.810 -3.772 10.082
98 HE2 PHE 15 HE2 PHE 15 -8.213 -4.974 7.815
99 HZ PHE 15 HZ PHE 15 -6.194 -5.552 9.097
100 H TYR 16 HN TYR 16 -8.075 1.168 5.040
101 HA TYR 16 HA TYR 16 -9.005 3.084 4.325
102 1HB TYR 16 HB2 TYR 16 -10.018 3.082 7.173
103 2HB TYR 16 HB1 TYR 16 -10.635 4.138 5.907
104 HD1 TYR 16 HD1 TYR 16 -11.938 3.230 4.043
105 HD2 TYR 16 HD2 TYR 16 -10.596 0.726 7.219
106 HE1 TYR 16 HE1 TYR 16 -13.525 1.496 3.340
107 HE2 TYR 16 HE2 TYR 16 -12.181 -1.015 6.517
108 HH TYR 16 HH TYR 16 -14.666 -0.723 4.979
109 H ARG 17 HN ARG 17 -6.555 3.692 4.436
110 HA ARG 17 HA ARG 17 -6.460 6.358 5.683
111 1HB ARG 17 HB2 ARG 17 -4.329 4.238 5.985
112 2HB ARG 17 HB1 ARG 17 -4.091 5.943 6.348
113 1HG ARG 17 HG2 ARG 17 -5.841 5.816 8.061
114 2HG ARG 17 HG1 ARG 17 -6.050 4.104 7.705
115 1HD ARG 17 HD2 ARG 17 -4.683 4.397 9.650
116 2HD ARG 17 HD1 ARG 17 -3.747 3.684 8.361
117 HE ARG 17 HE ARG 17 -2.967 6.107 7.965
118 1HH1 ARG 17 HH11 ARG 17 -3.619 4.688 11.112
119 2HH1 ARG 17 HH12 ARG 17 -2.564 5.771 11.927
120 1HH2 ARG 17 HH21 ARG 17 -1.588 7.535 9.075
121 2HH2 ARG 17 HH22 ARG 17 -1.404 7.381 10.791
122 HA PRO 18 HA PRO 18 -5.221 6.206 1.167
123 1HB PRO 18 HB2 PRO 18 -6.589 8.852 1.294
124 2HB PRO 18 HB1 PRO 18 -6.747 7.545 0.115
125 1HG PRO 18 HG2 PRO 18 -8.658 8.024 1.910
126 2HG PRO 18 HG1 PRO 18 -8.249 6.369 1.420
127 1HD PRO 18 HD2 PRO 18 -7.510 7.849 3.913
128 2HD PRO 18 HD1 PRO 18 -7.992 6.156 3.697
129 H SER 19 HN SER 19 -4.858 8.383 3.840
130 HA SER 19 HA SER 19 -2.742 9.924 2.574
131 1HB SER 19 HB2 SER 19 -3.814 10.072 5.408
132 2HB SER 19 HB1 SER 19 -2.812 11.265 4.574
133 HG SER 19 HG SER 19 -4.988 11.883 4.519
134 H CYS 20 HN CYS 20 -1.628 7.818 2.284
135 HA CYS 20 HA CYS 20 -0.668 6.370 4.503
136 1HB CYS 20 HB2 CYS 20 -0.954 5.485 2.208
137 2HB CYS 20 HB1 CYS 20 0.442 6.420 1.694
138 HA PRO 21 HA PRO 21 2.742 9.183 5.399
139 1HB PRO 21 HB2 PRO 21 3.605 7.941 7.645
140 2HB PRO 21 HB1 PRO 21 2.139 8.923 7.599
141 1HG PRO 21 HG2 PRO 21 2.426 5.961 7.584
142 2HG PRO 21 HG1 PRO 21 1.200 6.971 8.367
143 1HD PRO 21 HD2 PRO 21 0.866 5.611 5.969
144 2HD PRO 21 HD1 PRO 21 -0.121 6.977 6.522
145 H THR 22 HN THR 22 4.195 8.819 3.769
146 HA THR 22 HA THR 22 5.502 6.297 3.446
147 HB THR 22 HB THR 22 4.967 7.538 1.453
148 HG1 THR 22 HG1 THR 22 6.886 7.242 0.446
149 1HG2 THR 22 HG21 THR 22 6.447 9.645 1.053
150 2HG2 THR 22 HG22 THR 22 6.473 9.747 2.809
151 3HG2 THR 22 HG23 THR 22 4.940 9.773 1.946
152 H ASP 23 HN ASP 23 6.217 6.427 5.761
153 HA ASP 23 HA ASP 23 8.637 7.954 6.243
154 1HB ASP 23 HB2 ASP 23 7.149 7.515 8.116
155 2HB ASP 23 HB1 ASP 23 7.265 5.779 7.844
156 H ARG 24 HN ARG 24 7.700 4.768 5.144
157 HA ARG 24 HA ARG 24 10.511 3.879 5.255
158 1HB ARG 24 HB2 ARG 24 8.024 2.221 4.820
159 2HB ARG 24 HB1 ARG 24 9.666 1.640 5.094
160 1HG ARG 24 HG2 ARG 24 9.576 2.743 7.350
161 2HG ARG 24 HG1 ARG 24 7.868 3.067 7.046
162 1HD ARG 24 HD2 ARG 24 9.231 0.408 7.228
163 2HD ARG 24 HD1 ARG 24 8.074 1.075 8.368
164 HE ARG 24 HE ARG 24 6.463 1.000 6.390
165 1HH1 ARG 24 HH11 ARG 24 8.983 -1.366 6.993
166 2HH1 ARG 24 HH12 ARG 24 8.151 -2.612 6.183
167 1HH2 ARG 24 HH21 ARG 24 5.443 -0.678 5.215
168 2HH2 ARG 24 HH22 ARG 24 6.193 -2.208 5.082
169 H GLY 25 HN GLY 25 9.126 5.673 3.185
170 1HA GLY 25 HA2 GLY 25 9.429 6.049 0.979
171 2HA GLY 25 HA1 GLY 25 10.596 4.739 0.993
172 H TYR 26 HN TYR 26 7.038 4.935 1.420
173 HA TYR 26 HA TYR 26 6.574 2.485 0.071
174 1HB TYR 26 HB2 TYR 26 4.677 4.768 0.667
175 2HB TYR 26 HB1 TYR 26 4.184 3.180 0.083
176 HD1 TYR 26 HD1 TYR 26 5.223 1.187 1.514
177 HD2 TYR 26 HD2 TYR 26 4.474 5.075 2.968
178 HE1 TYR 26 HE1 TYR 26 5.164 0.304 3.782
179 HE2 TYR 26 HE2 TYR 26 4.432 4.210 5.271
180 HH TYR 26 HH TYR 26 3.902 1.343 6.140
181 H THR 27 HN THR 27 6.648 2.081 -2.021
182 HA THR 27 HA THR 27 7.108 4.271 -3.836
183 HB THR 27 HB THR 27 7.112 1.298 -4.467
184 HG1 THR 27 HG1 THR 27 9.248 2.925 -3.455
185 1HG2 THR 27 HG21 THR 27 8.515 3.666 -5.723
186 2HG2 THR 27 HG22 THR 27 7.181 2.749 -6.424
187 3HG2 THR 27 HG23 THR 27 8.745 1.978 -6.176
188 H GLY 28 HN GLY 28 4.775 1.588 -3.579
189 1HA GLY 28 HA2 GLY 28 3.143 2.944 -5.656
190 2HA GLY 28 HA1 GLY 28 3.268 1.206 -5.448
191 H SER 29 HN SER 29 0.870 2.675 -5.523
192 HA SER 29 HA SER 29 -0.157 2.055 -2.828
193 1HB SER 29 HB2 SER 29 -0.041 4.515 -3.180
194 2HB SER 29 HB1 SER 29 -1.107 4.341 -4.572
195 HG SER 29 HG SER 29 -1.672 3.906 -1.838
196 H CYS 30 HN CYS 30 -1.610 0.498 -2.919
197 HA CYS 30 HA CYS 30 -3.262 0.186 -5.364
198 1HB CYS 30 HB2 CYS 30 -2.248 -2.050 -3.588
199 2HB CYS 30 HB1 CYS 30 -3.182 -2.211 -5.063
200 H ARG 31 HN ARG 31 -5.448 -0.515 -4.947
201 HA ARG 31 HA ARG 31 -6.320 0.197 -2.236
202 1HB ARG 31 HB2 ARG 31 -7.499 1.152 -4.199
203 2HB ARG 31 HB1 ARG 31 -8.037 -0.462 -4.642
204 1HG ARG 31 HG2 ARG 31 -8.607 0.491 -1.865
205 2HG ARG 31 HG1 ARG 31 -9.508 1.217 -3.193
206 1HD ARG 31 HD2 ARG 31 -10.704 -0.630 -3.582
207 2HD ARG 31 HD1 ARG 31 -9.373 -1.713 -3.324
208 HE ARG 31 HE ARG 31 -9.749 -1.640 -0.978
209 1HH1 ARG 31 HH11 ARG 31 -12.287 -0.080 -2.854
210 2HH1 ARG 31 HH12 ARG 31 -13.476 -0.321 -1.637
211 1HH2 ARG 31 HH21 ARG 31 -11.362 -1.952 0.610
212 2HH2 ARG 31 HH22 ARG 31 -12.967 -1.367 0.325
213 H TYR 32 HN TYR 32 -5.967 -1.429 -0.890
214 HA TYR 32 HA TYR 32 -6.375 -4.188 -1.688
215 1HB TYR 32 HB2 TYR 32 -4.529 -3.336 -0.159
216 2HB TYR 32 HB1 TYR 32 -5.737 -3.131 1.086
217 HD1 TYR 32 HD1 TYR 32 -6.664 -5.072 2.218
218 HD2 TYR 32 HD2 TYR 32 -3.878 -5.569 -0.940
219 HE1 TYR 32 HE1 TYR 32 -6.386 -7.423 2.854
220 HE2 TYR 32 HE2 TYR 32 -3.557 -7.919 -0.298
221 HH TYR 32 HH TYR 32 -5.456 -9.669 1.220
222 H PHE 33 HN PHE 33 -7.794 -5.609 -0.492
223 HA PHE 33 HA PHE 33 -10.405 -4.946 -0.584
224 1HB PHE 33 HB2 PHE 33 -9.308 -7.216 -0.205
225 2HB PHE 33 HB1 PHE 33 -9.350 -6.863 1.501
226 HD1 PHE 33 HD1 PHE 33 -11.493 -6.875 2.702
227 HD2 PHE 33 HD2 PHE 33 -11.323 -7.623 -1.473
228 HE1 PHE 33 HE1 PHE 33 -13.773 -7.736 2.787
229 HE2 PHE 33 HE2 PHE 33 -13.616 -8.493 -1.401
230 HZ PHE 33 HZ PHE 33 -14.846 -8.550 0.729
231 H LEU 34 HN LEU 34 -8.419 -4.702 2.385
232 HA LEU 34 HA LEU 34 -10.689 -3.436 3.736
233 1HB LEU 34 HB2 LEU 34 -8.156 -4.600 4.807
234 2HB LEU 34 HB1 LEU 34 -9.310 -3.779 5.807
235 HG LEU 34 HG LEU 34 -9.718 -6.031 6.170
236 1HD1 LEU 34 HD11 LEU 34 -11.913 -6.462 5.289
237 2HD1 LEU 34 HD12 LEU 34 -11.681 -5.279 4.008
238 3HD1 LEU 34 HD13 LEU 34 -11.760 -4.754 5.687
239 1HD2 LEU 34 HD21 LEU 34 -9.569 -6.499 3.219
240 2HD2 LEU 34 HD22 LEU 34 -9.920 -7.718 4.417
241 3HD2 LEU 34 HD23 LEU 34 -8.342 -6.933 4.383
242 H GLY 35 HN GLY 35 -8.281 -2.181 1.918
243 1HA GLY 35 HA2 GLY 35 -8.651 0.379 2.685
244 2HA GLY 35 HA1 GLY 35 -7.423 -0.169 3.802
245 H THR 36 HN THR 36 -5.823 1.144 3.132
246 HA THR 36 HA THR 36 -5.179 1.294 0.290
247 HB THR 36 HB THR 36 -3.849 2.833 2.543
248 HG1 THR 36 HG1 THR 36 -6.293 3.479 1.184
249 1HG2 THR 36 HG21 THR 36 -4.370 3.469 -0.367
250 2HG2 THR 36 HG22 THR 36 -2.819 2.983 0.321
251 3HG2 THR 36 HG23 THR 36 -3.554 4.513 0.796
252 H CYS 37 HN CYS 37 -3.708 -0.066 -0.516
253 HA CYS 37 HA CYS 37 -1.787 -1.394 1.199
254 1HB CYS 37 HB2 CYS 37 -2.924 -2.738 -0.414
255 2HB CYS 37 HB1 CYS 37 -2.431 -1.687 -1.710
256 H CYS 38 HN CYS 38 -0.021 -0.272 1.730
257 HA CYS 38 HA CYS 38 1.234 1.484 -0.279
258 1HB CYS 38 HB2 CYS 38 1.797 1.228 2.684
259 2HB CYS 38 HB1 CYS 38 2.450 2.424 1.574
260 H THR 39 HN THR 39 2.716 0.465 -1.498
261 HA THR 39 HA THR 39 4.327 -1.650 -0.237
262 HB THR 39 HB THR 39 4.496 -2.541 -2.614
263 HG1 THR 39 HG1 THR 39 2.162 -0.946 -3.017
264 1HG2 THR 39 HG21 THR 39 2.162 -2.632 -0.801
265 2HG2 THR 39 HG22 THR 39 3.217 -3.920 -1.375
266 3HG2 THR 39 HG23 THR 39 1.954 -3.286 -2.426
267 HA PRO 40 HA PRO 40 7.892 0.476 -1.967
268 1HB PRO 40 HB2 PRO 40 9.540 -0.004 0.186
269 2HB PRO 40 HB1 PRO 40 8.496 1.377 0.020
270 1HG PRO 40 HG2 PRO 40 8.236 -0.794 1.876
271 2HG PRO 40 HG1 PRO 40 7.339 0.719 1.801
272 1HD PRO 40 HD2 PRO 40 6.617 -1.929 0.805
273 2HD PRO 40 HD1 PRO 40 5.563 -0.577 1.154
274 H ALA 41 HN ALA 41 9.238 -1.883 0.212
275 HA ALA 41 HA ALA 41 9.239 -4.114 -1.508
276 1HB ALA 41 HB1 ALA 41 11.823 -2.556 -1.364
277 2HB ALA 41 HB2 ALA 41 10.802 -2.726 -2.790
278 3HB ALA 41 HB3 ALA 41 11.603 -4.141 -2.109
279 H ASP 42 HN ASP 42 8.476 -3.965 1.070
280 HA ASP 42 HA ASP 42 10.735 -5.182 2.541
281 1HB ASP 42 HB2 ASP 42 9.962 -4.241 4.570
282 2HB ASP 42 HB1 ASP 42 10.026 -2.931 3.401
Start of MODEL 5
1 1H GLY 1 HT1 GLY 1 0.541 -8.465 11.269
2 2H GLY 1 HT2 GLY 1 2.120 -8.921 11.667
3 3H GLY 1 HT3 GLY 1 1.175 -9.926 10.691
4 1HA GLY 1 HA1 GLY 1 2.164 -7.220 9.981
5 2HA GLY 1 HA2 GLY 1 2.808 -8.740 9.378
6 H THR 2 HN THR 2 0.424 -6.326 8.979
7 HA THR 2 HA THR 2 -1.243 -7.903 7.192
8 HB THR 2 HB THR 2 -2.239 -5.505 6.786
9 HG1 THR 2 HG1 THR 2 -1.051 -4.930 9.277
10 1HG2 THR 2 HG21 THR 2 -3.365 -7.256 8.057
11 2HG2 THR 2 HG22 THR 2 -3.582 -5.670 8.795
12 3HG2 THR 2 HG23 THR 2 -2.426 -6.809 9.484
13 H ALA 3 HN ALA 3 0.935 -8.355 6.054
14 HA ALA 3 HA ALA 3 1.915 -6.282 4.347
15 1HB ALA 3 HB1 ALA 3 3.402 -7.970 5.285
16 2HB ALA 3 HB2 ALA 3 3.460 -7.965 3.524
17 3HB ALA 3 HB3 ALA 3 2.558 -9.222 4.375
18 H CYS 4 HN CYS 4 1.894 -6.245 2.103
19 HA CYS 4 HA CYS 4 0.171 -8.103 0.657
20 1HB CYS 4 HB2 CYS 4 -1.030 -6.226 -0.466
21 2HB CYS 4 HB1 CYS 4 -1.417 -6.392 1.237
22 H SER 5 HN SER 5 0.462 -7.851 -1.722
23 HA SER 5 HA SER 5 3.070 -6.616 -2.356
24 1HB SER 5 HB2 SER 5 3.541 -8.694 -3.728
25 2HB SER 5 HB1 SER 5 3.579 -8.894 -1.978
26 HG SER 5 HG SER 5 2.380 -10.524 -3.226
27 H CYS 6 HN CYS 6 3.213 -5.593 -4.221
28 HA CYS 6 HA CYS 6 1.106 -5.979 -6.255
29 1HB CYS 6 HB2 CYS 6 2.317 -3.352 -5.358
30 2HB CYS 6 HB1 CYS 6 1.247 -3.556 -6.743
31 H GLY 7 HN GLY 7 2.466 -7.352 -7.422
32 1HA GLY 7 HA2 GLY 7 3.940 -7.782 -9.106
33 2HA GLY 7 HA1 GLY 7 4.225 -6.053 -9.243
34 H ASN 8 HN ASN 8 6.148 -5.278 -8.557
35 HA ASN 8 HA ASN 8 7.958 -7.176 -7.196
36 1HB ASN 8 HB2 ASN 8 8.516 -4.706 -8.846
37 2HB ASN 8 HB1 ASN 8 9.753 -5.606 -7.975
38 1HD2 ASN 8 HD21 ASN 8 7.659 -5.556 -10.738
39 2HD2 ASN 8 HD22 ASN 8 8.336 -6.948 -11.504
40 H SER 9 HN SER 9 5.951 -4.610 -6.491
41 HA SER 9 HA SER 9 7.707 -3.583 -4.372
42 1HB SER 9 HB2 SER 9 5.084 -2.533 -5.451
43 2HB SER 9 HB1 SER 9 6.052 -1.774 -4.185
44 HG SER 9 HG SER 9 6.458 -0.887 -6.271
45 H LYS 10 HN LYS 10 7.416 -4.240 -2.332
46 HA LYS 10 HA LYS 10 4.826 -5.476 -1.600
47 1HB LYS 10 HB2 LYS 10 5.841 -7.395 -1.186
48 2HB LYS 10 HB1 LYS 10 7.363 -6.741 -1.771
49 1HG LYS 10 HG2 LYS 10 7.915 -5.973 0.455
50 2HG LYS 10 HG1 LYS 10 6.371 -6.565 1.077
51 1HD LYS 10 HD2 LYS 10 6.965 -8.832 0.546
52 2HD LYS 10 HD1 LYS 10 8.472 -8.305 -0.208
53 1HE LYS 10 HE2 LYS 10 7.738 -7.985 2.701
54 2HE LYS 10 HE1 LYS 10 8.857 -9.173 2.036
55 1HZ LYS 10 HZ1 LYS 10 9.281 -6.259 1.714
56 2HZ LYS 10 HZ2 LYS 10 10.371 -7.504 1.446
57 3HZ LYS 10 HZ3 LYS 10 9.883 -7.131 3.018
58 H GLY 11 HN GLY 11 4.047 -5.024 0.429
59 1HA GLY 11 HA2 GLY 11 5.603 -3.673 2.421
60 2HA GLY 11 HA1 GLY 11 4.581 -2.571 1.532
61 H ILE 12 HN ILE 12 3.237 -2.010 3.161
62 HA ILE 12 HA ILE 12 1.628 -4.180 4.382
63 HB ILE 12 HB ILE 12 2.456 -1.552 5.645
64 1HG1 ILE 12 HG12 ILE 12 4.396 -3.021 5.408
65 2HG1 ILE 12 HG11 ILE 12 3.924 -2.884 7.095
66 1HG2 ILE 12 HG21 ILE 12 1.598 -2.607 7.728
67 2HG2 ILE 12 HG22 ILE 12 0.965 -3.927 6.750
68 3HG2 ILE 12 HG23 ILE 12 0.355 -2.291 6.525
69 1HD1 ILE 12 HD11 ILE 12 2.774 -5.083 6.881
70 2HD1 ILE 12 HD12 ILE 12 4.514 -5.139 6.637
71 3HD1 ILE 12 HD13 ILE 12 3.435 -5.201 5.255
72 H TYR 13 HN TYR 13 -0.591 -3.864 4.510
73 HA TYR 13 HA TYR 13 -1.561 -1.507 3.069
74 1HB TYR 13 HB2 TYR 13 -3.398 -2.647 2.385
75 2HB TYR 13 HB1 TYR 13 -2.286 -3.978 2.535
76 HD1 TYR 13 HD1 TYR 13 -2.529 -5.640 4.318
77 HD2 TYR 13 HD2 TYR 13 -5.284 -2.413 3.907
78 HE1 TYR 13 HE1 TYR 13 -4.122 -6.819 5.766
79 HE2 TYR 13 HE2 TYR 13 -6.854 -3.576 5.374
80 HH TYR 13 HH TYR 13 -6.242 -5.820 7.384
81 H TRP 14 HN TRP 14 -2.632 0.045 3.982
82 HA TRP 14 HA TRP 14 -3.001 -0.003 6.891
83 1HB TRP 14 HB2 TRP 14 -3.067 2.255 4.867
84 2HB TRP 14 HB1 TRP 14 -3.279 2.453 6.604
85 HD1 TRP 14 HD1 TRP 14 -0.516 0.764 4.407
86 HE1 TRP 14 HE1 TRP 14 1.766 1.552 5.291
87 HE3 TRP 14 HE3 TRP 14 -2.117 3.802 8.201
88 HZ2 TRP 14 HZ2 TRP 14 2.755 3.250 7.314
89 HZ3 TRP 14 HZ3 TRP 14 -0.435 4.982 9.553
90 HH2 TRP 14 HH2 TRP 14 1.952 4.708 9.119
91 H PHE 15 HN PHE 15 -5.011 0.773 7.790
92 HA PHE 15 HA PHE 15 -7.292 -0.095 6.199
93 1HB PHE 15 HB2 PHE 15 -7.111 0.842 9.067
94 2HB PHE 15 HB1 PHE 15 -8.577 0.248 8.294
95 HD1 PHE 15 HD1 PHE 15 -8.654 -2.118 7.472
96 HD2 PHE 15 HD2 PHE 15 -5.512 -0.667 9.952
97 HE1 PHE 15 HE1 PHE 15 -8.052 -4.427 8.054
98 HE2 PHE 15 HE2 PHE 15 -4.907 -2.976 10.538
99 HZ PHE 15 HZ PHE 15 -6.177 -4.861 9.587
100 H TYR 16 HN TYR 16 -7.242 1.563 4.651
101 HA TYR 16 HA TYR 16 -8.077 3.356 3.625
102 1HB TYR 16 HB2 TYR 16 -9.522 3.778 6.254
103 2HB TYR 16 HB1 TYR 16 -9.821 4.707 4.796
104 HD1 TYR 16 HD1 TYR 16 -10.698 1.759 6.596
105 HD2 TYR 16 HD2 TYR 16 -10.478 3.412 2.677
106 HE1 TYR 16 HE1 TYR 16 -12.273 0.053 5.789
107 HE2 TYR 16 HE2 TYR 16 -12.049 1.735 1.891
108 HH TYR 16 HH TYR 16 -14.033 0.150 3.400
109 H ARG 17 HN ARG 17 -6.041 4.280 3.380
110 HA ARG 17 HA ARG 17 -5.669 6.711 4.993
111 1HB ARG 17 HB2 ARG 17 -3.580 4.676 4.273
112 2HB ARG 17 HB1 ARG 17 -3.140 6.345 4.610
113 1HG ARG 17 HG2 ARG 17 -4.584 4.500 6.509
114 2HG ARG 17 HG1 ARG 17 -2.875 4.914 6.548
115 1HD ARG 17 HD2 ARG 17 -3.440 7.272 6.888
116 2HD ARG 17 HD1 ARG 17 -5.153 6.855 6.857
117 HE ARG 17 HE ARG 17 -3.704 5.392 8.843
118 1HH1 ARG 17 HH11 ARG 17 -5.237 8.488 8.181
119 2HH1 ARG 17 HH12 ARG 17 -5.567 8.793 9.845
120 1HH2 ARG 17 HH21 ARG 17 -4.133 5.829 11.019
121 2HH2 ARG 17 HH22 ARG 17 -4.941 7.296 11.461
122 HA PRO 18 HA PRO 18 -5.996 7.902 0.568
123 1HB PRO 18 HB2 PRO 18 -6.891 10.428 1.848
124 2HB PRO 18 HB1 PRO 18 -7.659 9.459 0.586
125 1HG PRO 18 HG2 PRO 18 -8.629 9.525 3.074
126 2HG PRO 18 HG1 PRO 18 -8.671 8.041 2.103
127 1HD PRO 18 HD2 PRO 18 -6.784 8.816 4.301
128 2HD PRO 18 HD1 PRO 18 -7.575 7.255 3.984
129 H SER 19 HN SER 19 -4.158 8.899 3.252
130 HA SER 19 HA SER 19 -2.260 10.248 1.493
131 1HB SER 19 HB2 SER 19 -3.048 11.246 4.248
132 2HB SER 19 HB1 SER 19 -1.801 11.934 3.203
133 HG SER 19 HG SER 19 -3.685 13.113 2.945
134 H CYS 20 HN CYS 20 -1.683 7.877 1.692
135 HA CYS 20 HA CYS 20 -0.688 6.828 4.081
136 1HB CYS 20 HB2 CYS 20 -1.292 5.514 2.079
137 2HB CYS 20 HB1 CYS 20 0.159 6.101 1.277
138 HA PRO 21 HA PRO 21 2.986 9.373 4.389
139 1HB PRO 21 HB2 PRO 21 3.912 7.540 6.487
140 2HB PRO 21 HB1 PRO 21 3.386 9.216 6.601
141 1HG PRO 21 HG2 PRO 21 1.960 7.120 7.579
142 2HG PRO 21 HG1 PRO 21 1.231 8.647 7.054
143 1HD PRO 21 HD2 PRO 21 1.360 6.018 5.645
144 2HD PRO 21 HD1 PRO 21 0.060 7.226 5.715
145 H THR 22 HN THR 22 4.342 9.075 2.692
146 HA THR 22 HA THR 22 5.322 6.498 1.949
147 HB THR 22 HB THR 22 6.558 7.786 0.166
148 HG1 THR 22 HG1 THR 22 6.926 9.749 1.100
149 1HG2 THR 22 HG21 THR 22 4.559 8.534 -1.011
150 2HG2 THR 22 HG22 THR 22 3.627 8.426 0.481
151 3HG2 THR 22 HG23 THR 22 4.298 6.972 -0.246
152 H ASP 23 HN ASP 23 6.272 7.452 4.597
153 HA ASP 23 HA ASP 23 8.951 8.332 4.291
154 1HB ASP 23 HB2 ASP 23 7.368 7.387 6.684
155 2HB ASP 23 HB1 ASP 23 9.042 7.922 6.802
156 H ARG 24 HN ARG 24 7.467 5.210 4.426
157 HA ARG 24 HA ARG 24 9.946 3.818 5.036
158 1HB ARG 24 HB2 ARG 24 7.656 2.922 5.612
159 2HB ARG 24 HB1 ARG 24 7.368 2.693 3.892
160 1HG ARG 24 HG2 ARG 24 9.313 1.176 3.805
161 2HG ARG 24 HG1 ARG 24 9.531 1.388 5.537
162 1HD ARG 24 HD2 ARG 24 7.024 0.301 4.259
163 2HD ARG 24 HD1 ARG 24 8.363 -0.679 4.842
164 HE ARG 24 HE ARG 24 7.152 1.168 6.751
165 1HH1 ARG 24 HH11 ARG 24 7.281 -2.127 5.531
166 2HH1 ARG 24 HH12 ARG 24 6.699 -2.808 6.994
167 1HH2 ARG 24 HH21 ARG 24 6.375 0.234 8.679
168 2HH2 ARG 24 HH22 ARG 24 6.174 -1.484 8.778
169 H GLY 25 HN GLY 25 8.867 5.588 2.474
170 1HA GLY 25 HA2 GLY 25 9.757 5.845 0.395
171 2HA GLY 25 HA1 GLY 25 10.688 4.367 0.613
172 H TYR 26 HN TYR 26 7.189 5.010 0.881
173 HA TYR 26 HA TYR 26 6.480 2.577 -0.308
174 1HB TYR 26 HB2 TYR 26 4.920 5.103 0.136
175 2HB TYR 26 HB1 TYR 26 4.177 3.666 -0.548
176 HD1 TYR 26 HD1 TYR 26 3.753 5.267 2.195
177 HD2 TYR 26 HD2 TYR 26 5.556 1.598 1.120
178 HE1 TYR 26 HE1 TYR 26 3.310 4.389 4.446
179 HE2 TYR 26 HE2 TYR 26 5.124 0.696 3.358
180 HH TYR 26 HH TYR 26 4.682 2.192 5.874
181 H THR 27 HN THR 27 6.250 1.899 -2.312
182 HA THR 27 HA THR 27 6.842 3.775 -4.473
183 HB THR 27 HB THR 27 6.666 0.743 -4.585
184 HG1 THR 27 HG1 THR 27 8.961 2.411 -4.175
185 1HG2 THR 27 HG21 THR 27 8.109 1.060 -6.576
186 2HG2 THR 27 HG22 THR 27 7.867 2.800 -6.441
187 3HG2 THR 27 HG23 THR 27 6.495 1.739 -6.768
188 H GLY 28 HN GLY 28 4.470 1.233 -3.638
189 1HA GLY 28 HA2 GLY 28 2.633 2.433 -5.643
190 2HA GLY 28 HA1 GLY 28 2.735 0.720 -5.282
191 H SER 29 HN SER 29 0.437 2.477 -5.177
192 HA SER 29 HA SER 29 -0.335 1.952 -2.376
193 1HB SER 29 HB2 SER 29 -1.852 4.008 -2.629
194 2HB SER 29 HB1 SER 29 -0.130 4.296 -2.396
195 HG SER 29 HG SER 29 -0.960 5.578 -4.084
196 H CYS 30 HN CYS 30 -1.104 -0.038 -3.199
197 HA CYS 30 HA CYS 30 -3.157 -0.036 -5.249
198 1HB CYS 30 HB2 CYS 30 -2.204 -2.310 -3.495
199 2HB CYS 30 HB1 CYS 30 -3.116 -2.439 -4.987
200 H ARG 31 HN ARG 31 -5.304 -1.007 -4.868
201 HA ARG 31 HA ARG 31 -6.376 -0.118 -2.295
202 1HB ARG 31 HB2 ARG 31 -7.627 0.605 -4.212
203 2HB ARG 31 HB1 ARG 31 -7.741 -1.041 -4.821
204 1HG ARG 31 HG2 ARG 31 -9.830 -0.333 -3.816
205 2HG ARG 31 HG1 ARG 31 -9.139 -1.669 -2.907
206 1HD ARG 31 HD2 ARG 31 -8.190 0.034 -1.324
207 2HD ARG 31 HD1 ARG 31 -9.086 1.247 -2.205
208 HE ARG 31 HE ARG 31 -10.342 -1.045 -0.804
209 1HH1 ARG 31 HH11 ARG 31 -10.260 2.383 -1.593
210 2HH1 ARG 31 HH12 ARG 31 -11.691 2.728 -0.711
211 1HH2 ARG 31 HH21 ARG 31 -12.247 -0.539 0.370
212 2HH2 ARG 31 HH22 ARG 31 -12.864 1.078 0.337
213 H TYR 32 HN TYR 32 -6.514 -1.509 -0.684
214 HA TYR 32 HA TYR 32 -6.735 -4.393 -1.272
215 1HB TYR 32 HB2 TYR 32 -4.903 -3.304 0.287
216 2HB TYR 32 HB1 TYR 32 -6.197 -3.259 1.470
217 HD1 TYR 32 HD1 TYR 32 -3.960 -5.410 -0.477
218 HD2 TYR 32 HD2 TYR 32 -7.069 -5.348 2.427
219 HE1 TYR 32 HE1 TYR 32 -3.461 -7.742 0.100
220 HE2 TYR 32 HE2 TYR 32 -6.584 -7.684 3.006
221 HH TYR 32 HH TYR 32 -5.223 -9.755 1.371
222 H PHE 33 HN PHE 33 -8.302 -5.589 0.015
223 HA PHE 33 HA PHE 33 -10.837 -4.622 -0.239
224 1HB PHE 33 HB2 PHE 33 -9.965 -6.620 1.842
225 2HB PHE 33 HB1 PHE 33 -11.594 -6.435 1.216
226 HD1 PHE 33 HD1 PHE 33 -11.788 -6.657 -1.404
227 HD2 PHE 33 HD2 PHE 33 -8.588 -8.219 0.940
228 HE1 PHE 33 HE1 PHE 33 -11.273 -8.272 -3.183
229 HE2 PHE 33 HE2 PHE 33 -8.074 -9.833 -0.839
230 HZ PHE 33 HZ PHE 33 -9.416 -9.863 -2.903
231 H LEU 34 HN LEU 34 -8.795 -4.307 2.648
232 HA LEU 34 HA LEU 34 -10.967 -2.839 3.988
233 1HB LEU 34 HB2 LEU 34 -8.497 -4.081 5.163
234 2HB LEU 34 HB1 LEU 34 -9.743 -3.270 6.060
235 HG LEU 34 HG LEU 34 -10.153 -5.523 6.415
236 1HD1 LEU 34 HD11 LEU 34 -12.272 -5.971 5.400
237 2HD1 LEU 34 HD12 LEU 34 -11.944 -4.846 4.085
238 3HD1 LEU 34 HD13 LEU 34 -12.159 -4.245 5.731
239 1HD2 LEU 34 HD21 LEU 34 -9.826 -6.048 3.487
240 2HD2 LEU 34 HD22 LEU 34 -10.145 -7.239 4.717
241 3HD2 LEU 34 HD23 LEU 34 -8.610 -6.374 4.697
242 H GLY 35 HN GLY 35 -8.496 -1.926 2.074
243 1HA GLY 35 HA2 GLY 35 -8.583 0.691 2.742
244 2HA GLY 35 HA1 GLY 35 -7.359 0.056 3.810
245 H THR 36 HN THR 36 -5.595 1.034 3.039
246 HA THR 36 HA THR 36 -5.103 0.989 0.140
247 HB THR 36 HB THR 36 -3.718 2.748 2.187
248 HG1 THR 36 HG1 THR 36 -6.206 3.263 0.853
249 1HG2 THR 36 HG21 THR 36 -2.757 2.662 -0.065
250 2HG2 THR 36 HG22 THR 36 -3.469 4.239 0.276
251 3HG2 THR 36 HG23 THR 36 -4.325 3.091 -0.752
252 H CYS 37 HN CYS 37 -3.718 -0.525 -0.510
253 HA CYS 37 HA CYS 37 -1.760 -1.704 1.240
254 1HB CYS 37 HB2 CYS 37 -2.858 -3.160 -0.288
255 2HB CYS 37 HB1 CYS 37 -2.441 -2.128 -1.638
256 H CYS 38 HN CYS 38 -0.172 -0.294 1.779
257 HA CYS 38 HA CYS 38 1.084 1.312 -0.319
258 1HB CYS 38 HB2 CYS 38 1.556 1.253 2.667
259 2HB CYS 38 HB1 CYS 38 2.231 2.409 1.526
260 H THR 39 HN THR 39 2.536 0.244 -1.488
261 HA THR 39 HA THR 39 4.235 -1.754 -0.170
262 HB THR 39 HB THR 39 4.422 -2.625 -2.590
263 HG1 THR 39 HG1 THR 39 1.959 -1.229 -2.888
264 1HG2 THR 39 HG21 THR 39 2.186 -2.882 -0.675
265 2HG2 THR 39 HG22 THR 39 3.272 -4.093 -1.339
266 3HG2 THR 39 HG23 THR 39 1.938 -3.507 -2.305
267 HA PRO 40 HA PRO 40 7.708 0.606 -1.835
268 1HB PRO 40 HB2 PRO 40 9.317 0.422 0.318
269 2HB PRO 40 HB1 PRO 40 8.018 1.567 0.225
270 1HG PRO 40 HG2 PRO 40 8.141 -0.861 1.845
271 2HG PRO 40 HG1 PRO 40 7.239 0.619 2.099
272 1HD PRO 40 HD2 PRO 40 6.336 -1.820 0.964
273 2HD PRO 40 HD1 PRO 40 5.381 -0.385 1.249
274 H ALA 41 HN ALA 41 9.294 -1.470 0.391
275 HA ALA 41 HA ALA 41 9.514 -3.742 -1.355
276 1HB ALA 41 HB1 ALA 41 11.279 -2.256 -2.190
277 2HB ALA 41 HB2 ALA 41 11.960 -3.681 -1.407
278 3HB ALA 41 HB3 ALA 41 11.951 -2.129 -0.565
279 H ASP 42 HN ASP 42 8.656 -2.764 1.424
280 HA ASP 42 HA ASP 42 9.795 -4.922 2.985
281 1HB ASP 42 HB2 ASP 42 10.393 -2.040 3.389
282 2HB ASP 42 HB1 ASP 42 10.011 -2.968 4.834
Start of MODEL 6
1 1H GLY 1 HT1 GLY 1 1.650 -9.310 10.843
2 2H GLY 1 HT2 GLY 1 2.883 -8.323 11.446
3 3H GLY 1 HT3 GLY 1 2.953 -8.876 9.850
4 1HA GLY 1 HA1 GLY 1 0.933 -7.007 10.964
5 2HA GLY 1 HA2 GLY 1 2.286 -6.556 9.934
6 H THR 2 HN THR 2 0.093 -5.717 8.914
7 HA THR 2 HA THR 2 -1.306 -7.723 7.364
8 HB THR 2 HB THR 2 -2.470 -5.639 6.440
9 HG1 THR 2 HG1 THR 2 -1.263 -4.251 8.570
10 1HG2 THR 2 HG21 THR 2 -3.411 -6.993 8.247
11 2HG2 THR 2 HG22 THR 2 -3.769 -5.280 8.440
12 3HG2 THR 2 HG23 THR 2 -2.500 -6.025 9.409
13 H ALA 3 HN ALA 3 0.677 -8.468 6.309
14 HA ALA 3 HA ALA 3 2.159 -6.841 4.558
15 1HB ALA 3 HB1 ALA 3 3.117 -8.905 3.719
16 2HB ALA 3 HB2 ALA 3 1.839 -9.834 4.507
17 3HB ALA 3 HB3 ALA 3 3.002 -8.932 5.478
18 H CYS 4 HN CYS 4 2.049 -6.442 2.419
19 HA CYS 4 HA CYS 4 -0.030 -7.700 0.781
20 1HB CYS 4 HB2 CYS 4 -1.119 -5.754 1.777
21 2HB CYS 4 HB1 CYS 4 0.186 -4.711 1.232
22 H SER 5 HN SER 5 0.364 -7.412 -1.506
23 HA SER 5 HA SER 5 2.988 -6.267 -2.171
24 1HB SER 5 HB2 SER 5 3.306 -8.678 -1.761
25 2HB SER 5 HB1 SER 5 2.092 -9.043 -2.985
26 HG SER 5 HG SER 5 3.439 -8.306 -4.549
27 H CYS 6 HN CYS 6 3.181 -5.420 -4.134
28 HA CYS 6 HA CYS 6 0.917 -5.631 -6.020
29 1HB CYS 6 HB2 CYS 6 2.618 -3.183 -5.465
30 2HB CYS 6 HB1 CYS 6 1.386 -3.319 -6.715
31 H GLY 7 HN GLY 7 2.145 -7.412 -6.898
32 1HA GLY 7 HA2 GLY 7 3.460 -8.254 -8.562
33 2HA GLY 7 HA1 GLY 7 3.865 -6.609 -9.031
34 H ASN 8 HN ASN 8 5.737 -5.670 -8.250
35 HA ASN 8 HA ASN 8 7.576 -7.492 -6.809
36 1HB ASN 8 HB2 ASN 8 8.088 -5.293 -8.810
37 2HB ASN 8 HB1 ASN 8 9.365 -5.964 -7.798
38 1HD2 ASN 8 HD21 ASN 8 9.001 -6.010 -10.719
39 2HD2 ASN 8 HD22 ASN 8 9.048 -7.684 -11.142
40 H SER 9 HN SER 9 5.717 -4.688 -6.456
41 HA SER 9 HA SER 9 7.506 -3.502 -4.474
42 1HB SER 9 HB2 SER 9 4.754 -2.668 -5.426
43 2HB SER 9 HB1 SER 9 5.749 -1.776 -4.275
44 HG SER 9 HG SER 9 6.073 -0.905 -6.297
45 H LYS 10 HN LYS 10 7.524 -4.566 -2.541
46 HA LYS 10 HA LYS 10 4.949 -5.650 -1.570
47 1HB LYS 10 HB2 LYS 10 7.755 -6.387 -0.753
48 2HB LYS 10 HB1 LYS 10 6.278 -7.049 -0.057
49 1HG LYS 10 HG2 LYS 10 5.818 -7.637 -2.616
50 2HG LYS 10 HG1 LYS 10 7.576 -7.582 -2.671
51 1HD LYS 10 HD2 LYS 10 5.901 -9.248 -0.793
52 2HD LYS 10 HD1 LYS 10 6.769 -9.835 -2.209
53 1HE LYS 10 HE2 LYS 10 8.061 -8.565 0.213
54 2HE LYS 10 HE1 LYS 10 7.954 -10.289 -0.104
55 1HZ LYS 10 HZ1 LYS 10 9.229 -9.930 -2.156
56 2HZ LYS 10 HZ2 LYS 10 10.085 -9.489 -0.766
57 3HZ LYS 10 HZ3 LYS 10 9.406 -8.295 -1.747
58 H GLY 11 HN GLY 11 4.189 -5.152 0.440
59 1HA GLY 11 HA2 GLY 11 5.691 -3.654 2.344
60 2HA GLY 11 HA1 GLY 11 4.629 -2.607 1.422
61 H ILE 12 HN ILE 12 3.197 -2.072 2.972
62 HA ILE 12 HA ILE 12 1.670 -4.265 4.256
63 HB ILE 12 HB ILE 12 2.538 -1.625 5.473
64 1HG1 ILE 12 HG12 ILE 12 4.394 -3.215 5.325
65 2HG1 ILE 12 HG11 ILE 12 3.900 -2.991 6.997
66 1HG2 ILE 12 HG21 ILE 12 1.586 -2.596 7.575
67 2HG2 ILE 12 HG22 ILE 12 0.864 -3.865 6.594
68 3HG2 ILE 12 HG23 ILE 12 0.394 -2.187 6.350
69 1HD1 ILE 12 HD11 ILE 12 2.605 -5.124 6.819
70 2HD1 ILE 12 HD12 ILE 12 4.346 -5.296 6.642
71 3HD1 ILE 12 HD13 ILE 12 3.316 -5.337 5.227
72 H TYR 13 HN TYR 13 -0.546 -4.037 4.255
73 HA TYR 13 HA TYR 13 -1.547 -1.637 2.911
74 1HB TYR 13 HB2 TYR 13 -3.407 -2.755 2.218
75 2HB TYR 13 HB1 TYR 13 -2.228 -4.038 2.196
76 HD1 TYR 13 HD1 TYR 13 -5.215 -2.719 3.868
77 HD2 TYR 13 HD2 TYR 13 -2.375 -5.899 3.778
78 HE1 TYR 13 HE1 TYR 13 -6.687 -4.086 5.268
79 HE2 TYR 13 HE2 TYR 13 -3.864 -7.269 5.170
80 HH TYR 13 HH TYR 13 -5.950 -6.472 6.989
81 H TRP 14 HN TRP 14 -2.635 -0.141 3.909
82 HA TRP 14 HA TRP 14 -2.958 -0.371 6.811
83 1HB TRP 14 HB2 TRP 14 -2.923 1.994 4.919
84 2HB TRP 14 HB1 TRP 14 -3.228 2.109 6.648
85 HD1 TRP 14 HD1 TRP 14 -0.377 0.713 4.381
86 HE1 TRP 14 HE1 TRP 14 1.862 1.261 5.536
87 HE3 TRP 14 HE3 TRP 14 -2.169 2.963 8.603
88 HZ2 TRP 14 HZ2 TRP 14 2.747 2.485 7.917
89 HZ3 TRP 14 HZ3 TRP 14 -0.562 3.803 10.267
90 HH2 TRP 14 HH2 TRP 14 1.846 3.566 9.933
91 H PHE 15 HN PHE 15 -4.905 0.036 7.826
92 HA PHE 15 HA PHE 15 -7.259 -0.518 6.252
93 1HB PHE 15 HB2 PHE 15 -6.889 0.086 9.190
94 2HB PHE 15 HB1 PHE 15 -8.446 -0.286 8.462
95 HD1 PHE 15 HD1 PHE 15 -8.890 -2.522 7.553
96 HD2 PHE 15 HD2 PHE 15 -5.294 -1.641 9.654
97 HE1 PHE 15 HE1 PHE 15 -8.490 -4.927 7.869
98 HE2 PHE 15 HE2 PHE 15 -4.890 -4.042 9.972
99 HZ PHE 15 HZ PHE 15 -6.487 -5.690 9.081
100 H TYR 16 HN TYR 16 -7.860 1.122 4.978
101 HA TYR 16 HA TYR 16 -8.759 3.043 4.265
102 1HB TYR 16 HB2 TYR 16 -9.389 3.473 7.196
103 2HB TYR 16 HB1 TYR 16 -10.121 4.330 5.847
104 HD1 TYR 16 HD1 TYR 16 -11.426 2.949 4.121
105 HD2 TYR 16 HD2 TYR 16 -10.336 1.453 7.958
106 HE1 TYR 16 HE1 TYR 16 -13.162 1.222 3.940
107 HE2 TYR 16 HE2 TYR 16 -12.070 -0.276 7.779
108 HH TYR 16 HH TYR 16 -14.510 -0.275 6.124
109 H ARG 17 HN ARG 17 -6.577 3.711 3.677
110 HA ARG 17 HA ARG 17 -5.885 6.222 5.052
111 1HB ARG 17 HB2 ARG 17 -3.931 4.070 4.234
112 2HB ARG 17 HB1 ARG 17 -3.449 5.720 4.604
113 1HG ARG 17 HG2 ARG 17 -4.773 3.797 6.507
114 2HG ARG 17 HG1 ARG 17 -3.066 4.240 6.481
115 1HD ARG 17 HD2 ARG 17 -3.690 6.576 6.913
116 2HD ARG 17 HD1 ARG 17 -5.372 6.106 7.038
117 HE ARG 17 HE ARG 17 -3.217 5.554 8.932
118 1HH1 ARG 17 HH11 ARG 17 -6.595 5.073 8.065
119 2HH1 ARG 17 HH12 ARG 17 -7.046 4.608 9.657
120 1HH2 ARG 17 HH21 ARG 17 -3.855 4.902 11.030
121 2HH2 ARG 17 HH22 ARG 17 -5.512 4.500 11.335
122 HA PRO 18 HA PRO 18 -6.704 6.603 0.452
123 1HB PRO 18 HB2 PRO 18 -7.586 9.264 1.495
124 2HB PRO 18 HB1 PRO 18 -8.344 8.200 0.303
125 1HG PRO 18 HG2 PRO 18 -9.319 8.395 2.766
126 2HG PRO 18 HG1 PRO 18 -9.278 6.834 1.924
127 1HD PRO 18 HD2 PRO 18 -7.498 7.867 4.093
128 2HD PRO 18 HD1 PRO 18 -8.137 6.237 3.825
129 H SER 19 HN SER 19 -5.004 8.449 2.865
130 HA SER 19 HA SER 19 -3.105 9.373 0.818
131 1HB SER 19 HB2 SER 19 -4.545 11.231 1.796
132 2HB SER 19 HB1 SER 19 -3.787 10.899 3.351
133 HG SER 19 HG SER 19 -2.728 12.565 2.179
134 H CYS 20 HN CYS 20 -1.909 7.509 1.205
135 HA CYS 20 HA CYS 20 -1.400 6.458 3.718
136 1HB CYS 20 HB2 CYS 20 -1.224 5.240 1.591
137 2HB CYS 20 HB1 CYS 20 0.266 6.097 1.227
138 HA PRO 21 HA PRO 21 1.920 9.161 5.108
139 1HB PRO 21 HB2 PRO 21 2.440 7.873 7.436
140 2HB PRO 21 HB1 PRO 21 1.011 8.882 7.203
141 1HG PRO 21 HG2 PRO 21 1.255 5.909 7.102
142 2HG PRO 21 HG1 PRO 21 -0.015 6.908 7.830
143 1HD PRO 21 HD2 PRO 21 -0.240 5.695 5.391
144 2HD PRO 21 HD1 PRO 21 -1.119 7.164 5.842
145 H THR 22 HN THR 22 3.493 8.719 3.597
146 HA THR 22 HA THR 22 4.814 6.191 3.488
147 HB THR 22 HB THR 22 4.498 7.353 1.418
148 HG1 THR 22 HG1 THR 22 6.576 7.199 0.631
149 1HG2 THR 22 HG21 THR 22 6.257 9.496 1.414
150 2HG2 THR 22 HG22 THR 22 5.393 9.664 2.940
151 3HG2 THR 22 HG23 THR 22 4.500 9.568 1.426
152 H ASP 23 HN ASP 23 5.670 5.860 5.493
153 HA ASP 23 HA ASP 23 7.657 7.688 6.572
154 1HB ASP 23 HB2 ASP 23 7.834 6.082 8.396
155 2HB ASP 23 HB1 ASP 23 6.140 6.422 8.053
156 H ARG 24 HN ARG 24 7.580 4.753 4.659
157 HA ARG 24 HA ARG 24 10.534 4.689 4.714
158 1HB ARG 24 HB2 ARG 24 10.377 2.234 4.559
159 2HB ARG 24 HB1 ARG 24 9.704 2.881 6.049
160 1HG ARG 24 HG2 ARG 24 7.424 2.691 4.961
161 2HG ARG 24 HG1 ARG 24 8.221 1.797 3.665
162 1HD ARG 24 HD2 ARG 24 7.289 0.250 5.252
163 2HD ARG 24 HD1 ARG 24 9.050 0.195 5.336
164 HE ARG 24 HE ARG 24 7.639 1.920 7.237
165 1HH1 ARG 24 HH11 ARG 24 9.331 -1.104 6.713
166 2HH1 ARG 24 HH12 ARG 24 9.579 -1.397 8.375
167 1HH2 ARG 24 HH21 ARG 24 8.012 1.538 9.449
168 2HH2 ARG 24 HH22 ARG 24 8.848 0.103 9.942
169 H GLY 25 HN GLY 25 8.959 6.102 2.816
170 1HA GLY 25 HA2 GLY 25 8.921 6.444 0.574
171 2HA GLY 25 HA1 GLY 25 10.237 5.286 0.476
172 H TYR 26 HN TYR 26 6.727 5.146 1.202
173 HA TYR 26 HA TYR 26 6.315 2.634 -0.012
174 1HB TYR 26 HB2 TYR 26 4.434 4.935 0.541
175 2HB TYR 26 HB1 TYR 26 3.881 3.405 -0.129
176 HD1 TYR 26 HD1 TYR 26 3.632 5.047 2.729
177 HD2 TYR 26 HD2 TYR 26 5.283 1.409 1.369
178 HE1 TYR 26 HE1 TYR 26 3.391 4.096 4.984
179 HE2 TYR 26 HE2 TYR 26 5.049 0.427 3.605
180 HH TYR 26 HH TYR 26 4.835 1.831 6.206
181 H THR 27 HN THR 27 6.510 2.118 -2.085
182 HA THR 27 HA THR 27 6.838 4.226 -4.018
183 HB THR 27 HB THR 27 7.015 1.223 -4.462
184 HG1 THR 27 HG1 THR 27 9.053 3.080 -3.657
185 1HG2 THR 27 HG21 THR 27 8.567 1.906 -6.263
186 2HG2 THR 27 HG22 THR 27 8.173 3.594 -5.945
187 3HG2 THR 27 HG23 THR 27 6.927 2.490 -6.531
188 H GLY 28 HN GLY 28 4.523 1.621 -3.420
189 1HA GLY 28 HA2 GLY 28 2.794 2.807 -5.518
190 2HA GLY 28 HA1 GLY 28 2.901 1.082 -5.208
191 H SER 29 HN SER 29 0.559 2.677 -5.145
192 HA SER 29 HA SER 29 -0.294 2.077 -2.388
193 1HB SER 29 HB2 SER 29 -1.043 4.569 -3.944
194 2HB SER 29 HB1 SER 29 -1.730 4.083 -2.393
195 HG SER 29 HG SER 29 0.890 4.956 -2.974
196 H CYS 30 HN CYS 30 -1.015 0.121 -3.331
197 HA CYS 30 HA CYS 30 -3.042 0.213 -5.422
198 1HB CYS 30 HB2 CYS 30 -2.131 -2.155 -3.773
199 2HB CYS 30 HB1 CYS 30 -2.988 -2.185 -5.301
200 H ARG 31 HN ARG 31 -5.212 -0.701 -5.071
201 HA ARG 31 HA ARG 31 -6.191 0.028 -2.428
202 1HB ARG 31 HB2 ARG 31 -7.468 0.869 -4.316
203 2HB ARG 31 HB1 ARG 31 -7.713 -0.768 -4.913
204 1HG ARG 31 HG2 ARG 31 -9.683 0.101 -3.756
205 2HG ARG 31 HG1 ARG 31 -9.035 -1.323 -2.948
206 1HD ARG 31 HD2 ARG 31 -7.756 0.406 -1.471
207 2HD ARG 31 HD1 ARG 31 -8.897 1.542 -2.152
208 HE ARG 31 HE ARG 31 -9.828 -0.888 -0.763
209 1HH1 ARG 31 HH11 ARG 31 -9.623 2.616 -0.935
210 2HH1 ARG 31 HH12 ARG 31 -10.795 2.849 0.296
211 1HH2 ARG 31 HH21 ARG 31 -11.378 -0.540 0.882
212 2HH2 ARG 31 HH22 ARG 31 -11.792 1.080 1.337
213 H TYR 32 HN TYR 32 -6.505 -1.418 -0.891
214 HA TYR 32 HA TYR 32 -6.744 -4.271 -1.630
215 1HB TYR 32 HB2 TYR 32 -4.843 -3.331 -0.078
216 2HB TYR 32 HB1 TYR 32 -6.097 -3.269 1.143
217 HD1 TYR 32 HD1 TYR 32 -7.068 -5.355 2.022
218 HD2 TYR 32 HD2 TYR 32 -4.001 -5.435 -0.909
219 HE1 TYR 32 HE1 TYR 32 -6.676 -7.725 2.513
220 HE2 TYR 32 HE2 TYR 32 -3.577 -7.804 -0.416
221 HH TYR 32 HH TYR 32 -5.416 -9.780 0.778
222 H PHE 33 HN PHE 33 -8.304 -5.488 -0.399
223 HA PHE 33 HA PHE 33 -10.830 -4.500 -0.499
224 1HB PHE 33 HB2 PHE 33 -9.833 -6.607 1.419
225 2HB PHE 33 HB1 PHE 33 -11.523 -6.359 0.995
226 HD1 PHE 33 HD1 PHE 33 -12.271 -6.806 -1.340
227 HD2 PHE 33 HD2 PHE 33 -8.359 -7.812 0.020
228 HE1 PHE 33 HE1 PHE 33 -12.001 -8.330 -3.248
229 HE2 PHE 33 HE2 PHE 33 -8.088 -9.338 -1.885
230 HZ PHE 33 HZ PHE 33 -9.909 -9.600 -3.525
231 H LEU 34 HN LEU 34 -8.761 -4.473 2.405
232 HA LEU 34 HA LEU 34 -10.861 -3.030 3.852
233 1HB LEU 34 HB2 LEU 34 -8.342 -4.327 4.826
234 2HB LEU 34 HB1 LEU 34 -9.478 -3.505 5.848
235 HG LEU 34 HG LEU 34 -9.953 -5.754 6.163
236 1HD1 LEU 34 HD11 LEU 34 -12.162 -6.065 5.338
237 2HD1 LEU 34 HD12 LEU 34 -11.895 -4.947 4.003
238 3HD1 LEU 34 HD13 LEU 34 -11.943 -4.348 5.664
239 1HD2 LEU 34 HD21 LEU 34 -10.121 -6.315 3.240
240 2HD2 LEU 34 HD22 LEU 34 -9.963 -7.440 4.567
241 3HD2 LEU 34 HD23 LEU 34 -8.592 -6.441 4.093
242 H GLY 35 HN GLY 35 -8.331 -2.050 1.965
243 1HA GLY 35 HA2 GLY 35 -8.487 0.573 2.693
244 2HA GLY 35 HA1 GLY 35 -7.255 -0.086 3.738
245 H THR 36 HN THR 36 -5.550 1.026 2.962
246 HA THR 36 HA THR 36 -5.060 0.959 0.069
247 HB THR 36 HB THR 36 -3.779 2.737 2.169
248 HG1 THR 36 HG1 THR 36 -6.035 3.240 0.469
249 1HG2 THR 36 HG21 THR 36 -3.913 2.879 -0.851
250 2HG2 THR 36 HG22 THR 36 -2.473 2.619 0.136
251 3HG2 THR 36 HG23 THR 36 -3.314 4.165 0.195
252 H CYS 37 HN CYS 37 -3.630 -0.417 -0.668
253 HA CYS 37 HA CYS 37 -1.728 -1.743 1.037
254 1HB CYS 37 HB2 CYS 37 -2.905 -3.010 -0.648
255 2HB CYS 37 HB1 CYS 37 -2.286 -1.958 -1.894
256 H CYS 38 HN CYS 38 -0.182 -0.325 1.692
257 HA CYS 38 HA CYS 38 1.130 1.396 -0.272
258 1HB CYS 38 HB2 CYS 38 1.605 1.140 2.707
259 2HB CYS 38 HB1 CYS 38 2.185 2.398 1.632
260 H THR 39 HN THR 39 2.661 0.435 -1.467
261 HA THR 39 HA THR 39 4.372 -1.577 -0.173
262 HB THR 39 HB THR 39 4.456 -2.567 -2.504
263 HG1 THR 39 HG1 THR 39 2.061 -1.076 -2.877
264 1HG2 THR 39 HG21 THR 39 2.067 -2.573 -0.712
265 2HG2 THR 39 HG22 THR 39 3.273 -3.821 -0.974
266 3HG2 THR 39 HG23 THR 39 2.080 -3.508 -2.202
267 HA PRO 40 HA PRO 40 7.816 0.490 -2.169
268 1HB PRO 40 HB2 PRO 40 9.510 0.378 -0.023
269 2HB PRO 40 HB1 PRO 40 8.333 1.633 -0.276
270 1HG PRO 40 HG2 PRO 40 8.306 -0.416 1.753
271 2HG PRO 40 HG1 PRO 40 7.322 1.037 1.620
272 1HD PRO 40 HD2 PRO 40 6.710 -1.711 0.833
273 2HD PRO 40 HD1 PRO 40 5.599 -0.386 1.112
274 H ALA 41 HN ALA 41 9.418 -1.443 0.185
275 HA ALA 41 HA ALA 41 9.450 -3.885 -1.311
276 1HB ALA 41 HB1 ALA 41 11.890 -3.960 -1.541
277 2HB ALA 41 HB2 ALA 41 12.008 -2.310 -0.924
278 3HB ALA 41 HB3 ALA 41 11.209 -2.622 -2.465
279 H ASP 42 HN ASP 42 8.356 -3.296 1.088
280 HA ASP 42 HA ASP 42 10.311 -4.027 3.159
281 1HB ASP 42 HB2 ASP 42 8.856 -1.908 3.244
282 2HB ASP 42 HB1 ASP 42 7.503 -2.973 3.594
Start of MODEL 7
1 1H GLY 1 HT1 GLY 1 1.928 -10.525 9.990
2 2H GLY 1 HT2 GLY 1 3.266 -9.726 10.645
3 3H GLY 1 HT3 GLY 1 3.097 -9.845 8.968
4 1HA GLY 1 HA1 GLY 1 1.314 -8.333 10.800
5 2HA GLY 1 HA2 GLY 1 2.528 -7.626 9.741
6 H THR 2 HN THR 2 0.190 -6.575 9.303
7 HA THR 2 HA THR 2 -1.385 -8.088 7.388
8 HB THR 2 HB THR 2 -2.561 -5.820 7.136
9 HG1 THR 2 HG1 THR 2 -1.069 -4.376 7.830
10 1HG2 THR 2 HG21 THR 2 -3.436 -7.588 8.572
11 2HG2 THR 2 HG22 THR 2 -3.705 -5.990 9.268
12 3HG2 THR 2 HG23 THR 2 -2.407 -7.012 9.886
13 H ALA 3 HN ALA 3 0.566 -8.496 6.063
14 HA ALA 3 HA ALA 3 1.592 -6.236 4.564
15 1HB ALA 3 HB1 ALA 3 3.125 -7.919 5.438
16 2HB ALA 3 HB2 ALA 3 3.208 -7.806 3.681
17 3HB ALA 3 HB3 ALA 3 2.345 -9.146 4.442
18 H CYS 4 HN CYS 4 1.864 -6.390 2.242
19 HA CYS 4 HA CYS 4 0.121 -8.125 0.736
20 1HB CYS 4 HB2 CYS 4 -1.150 -6.318 -0.344
21 2HB CYS 4 HB1 CYS 4 -1.484 -6.400 1.377
22 H SER 5 HN SER 5 0.437 -7.740 -1.640
23 HA SER 5 HA SER 5 2.982 -6.374 -2.209
24 1HB SER 5 HB2 SER 5 3.573 -8.675 -1.678
25 2HB SER 5 HB1 SER 5 2.395 -9.272 -2.846
26 HG SER 5 HG SER 5 4.821 -7.910 -3.313
27 H CYS 6 HN CYS 6 3.165 -5.536 -4.163
28 HA CYS 6 HA CYS 6 1.040 -6.031 -6.156
29 1HB CYS 6 HB2 CYS 6 2.495 -3.416 -5.667
30 2HB CYS 6 HB1 CYS 6 1.195 -3.715 -6.819
31 H GLY 7 HN GLY 7 2.510 -7.716 -6.872
32 1HA GLY 7 HA2 GLY 7 4.016 -8.518 -8.374
33 2HA GLY 7 HA1 GLY 7 4.089 -6.902 -9.061
34 H ASN 8 HN ASN 8 5.810 -5.609 -8.603
35 HA ASN 8 HA ASN 8 8.099 -6.909 -7.353
36 1HB ASN 8 HB2 ASN 8 7.785 -4.303 -8.847
37 2HB ASN 8 HB1 ASN 8 9.304 -4.818 -8.118
38 1HD2 ASN 8 HD21 ASN 8 10.391 -4.925 -10.045
39 2HD2 ASN 8 HD22 ASN 8 10.060 -6.138 -11.229
40 H SER 9 HN SER 9 5.847 -4.296 -6.678
41 HA SER 9 HA SER 9 7.471 -3.298 -4.490
42 1HB SER 9 HB2 SER 9 4.661 -2.544 -5.339
43 2HB SER 9 HB1 SER 9 5.676 -1.672 -4.187
44 HG SER 9 HG SER 9 5.990 -1.946 -6.976
45 H LYS 10 HN LYS 10 7.300 -3.919 -2.397
46 HA LYS 10 HA LYS 10 4.912 -5.483 -1.604
47 1HB LYS 10 HB2 LYS 10 6.329 -7.014 -0.384
48 2HB LYS 10 HB1 LYS 10 6.773 -6.979 -2.083
49 1HG LYS 10 HG2 LYS 10 8.679 -5.547 -1.558
50 2HG LYS 10 HG1 LYS 10 8.231 -5.571 0.138
51 1HD LYS 10 HD2 LYS 10 9.993 -7.146 -0.195
52 2HD LYS 10 HD1 LYS 10 8.506 -8.030 0.146
53 1HE LYS 10 HE2 LYS 10 9.733 -9.088 -1.651
54 2HE LYS 10 HE1 LYS 10 8.223 -8.441 -2.271
55 1HZ LYS 10 HZ1 LYS 10 10.210 -8.028 -3.682
56 2HZ LYS 10 HZ2 LYS 10 10.826 -7.016 -2.478
57 3HZ LYS 10 HZ3 LYS 10 9.373 -6.626 -3.256
58 H GLY 11 HN GLY 11 4.083 -5.039 0.383
59 1HA GLY 11 HA2 GLY 11 5.581 -3.678 2.408
60 2HA GLY 11 HA1 GLY 11 4.551 -2.579 1.522
61 H ILE 12 HN ILE 12 3.154 -2.079 3.119
62 HA ILE 12 HA ILE 12 1.626 -4.272 4.392
63 HB ILE 12 HB ILE 12 2.463 -1.629 5.612
64 1HG1 ILE 12 HG12 ILE 12 4.396 -3.121 5.330
65 2HG1 ILE 12 HG11 ILE 12 3.984 -2.919 7.026
66 1HG2 ILE 12 HG21 ILE 12 1.065 -4.000 6.835
67 2HG2 ILE 12 HG22 ILE 12 0.365 -2.419 6.528
68 3HG2 ILE 12 HG23 ILE 12 1.646 -2.598 7.717
69 1HD1 ILE 12 HD11 ILE 12 2.873 -5.111 7.001
70 2HD1 ILE 12 HD12 ILE 12 4.569 -5.207 6.550
71 3HD1 ILE 12 HD13 ILE 12 3.329 -5.301 5.312
72 H TYR 13 HN TYR 13 -0.606 -3.977 4.600
73 HA TYR 13 HA TYR 13 -1.631 -1.645 3.162
74 1HB TYR 13 HB2 TYR 13 -3.516 -2.792 2.579
75 2HB TYR 13 HB1 TYR 13 -2.350 -4.087 2.615
76 HD1 TYR 13 HD1 TYR 13 -2.449 -5.837 4.303
77 HD2 TYR 13 HD2 TYR 13 -5.273 -2.642 4.284
78 HE1 TYR 13 HE1 TYR 13 -3.896 -7.106 5.830
79 HE2 TYR 13 HE2 TYR 13 -6.681 -3.899 5.838
80 HH TYR 13 HH TYR 13 -6.011 -6.035 7.674
81 H TRP 14 HN TRP 14 -2.794 -0.125 4.077
82 HA TRP 14 HA TRP 14 -3.194 -0.229 6.997
83 1HB TRP 14 HB2 TRP 14 -3.091 2.115 5.077
84 2HB TRP 14 HB1 TRP 14 -3.326 2.226 6.820
85 HD1 TRP 14 HD1 TRP 14 -0.613 0.594 4.528
86 HE1 TRP 14 HE1 TRP 14 1.689 1.170 5.520
87 HE3 TRP 14 HE3 TRP 14 -2.135 3.335 8.568
88 HZ2 TRP 14 HZ2 TRP 14 2.726 2.607 7.722
89 HZ3 TRP 14 HZ3 TRP 14 -0.427 4.280 10.064
90 HH2 TRP 14 HH2 TRP 14 1.954 3.925 9.649
91 H PHE 15 HN PHE 15 -5.179 1.016 7.712
92 HA PHE 15 HA PHE 15 -7.437 0.049 6.097
93 1HB PHE 15 HB2 PHE 15 -7.299 0.997 8.964
94 2HB PHE 15 HB1 PHE 15 -8.758 0.426 8.160
95 HD1 PHE 15 HD1 PHE 15 -9.022 -1.926 7.578
96 HD2 PHE 15 HD2 PHE 15 -5.586 -0.546 9.683
97 HE1 PHE 15 HE1 PHE 15 -8.486 -4.241 8.212
98 HE2 PHE 15 HE2 PHE 15 -5.047 -2.858 10.320
99 HZ PHE 15 HZ PHE 15 -6.497 -4.710 9.587
100 H TYR 16 HN TYR 16 -8.072 1.526 4.652
101 HA TYR 16 HA TYR 16 -8.794 3.401 3.659
102 1HB TYR 16 HB2 TYR 16 -9.757 4.048 6.452
103 2HB TYR 16 HB1 TYR 16 -10.342 4.776 4.960
104 HD1 TYR 16 HD1 TYR 16 -11.219 3.016 3.154
105 HD2 TYR 16 HD2 TYR 16 -10.999 2.323 7.351
106 HE1 TYR 16 HE1 TYR 16 -12.939 1.271 2.954
107 HE2 TYR 16 HE2 TYR 16 -12.711 0.580 7.155
108 HH TYR 16 HH TYR 16 -14.759 0.239 5.105
109 H ARG 17 HN ARG 17 -6.474 4.010 3.382
110 HA ARG 17 HA ARG 17 -5.917 6.509 4.843
111 1HB ARG 17 HB2 ARG 17 -3.917 4.559 3.729
112 2HB ARG 17 HB1 ARG 17 -3.521 6.121 4.439
113 1HG ARG 17 HG2 ARG 17 -4.842 3.816 5.866
114 2HG ARG 17 HG1 ARG 17 -3.153 4.307 6.004
115 1HD ARG 17 HD2 ARG 17 -3.761 6.393 6.981
116 2HD ARG 17 HD1 ARG 17 -5.475 6.099 6.714
117 HE ARG 17 HE ARG 17 -4.605 4.000 8.260
118 1HH1 ARG 17 HH11 ARG 17 -4.665 7.501 8.575
119 2HH1 ARG 17 HH12 ARG 17 -4.915 7.447 10.280
120 1HH2 ARG 17 HH21 ARG 17 -4.921 3.953 10.503
121 2HH2 ARG 17 HH22 ARG 17 -5.061 5.439 11.383
122 HA PRO 18 HA PRO 18 -6.703 8.092 0.698
123 1HB PRO 18 HB2 PRO 18 -6.026 10.664 2.025
124 2HB PRO 18 HB1 PRO 18 -7.482 10.188 1.144
125 1HG PRO 18 HG2 PRO 18 -7.479 10.460 3.805
126 2HG PRO 18 HG1 PRO 18 -8.445 9.209 2.998
127 1HD PRO 18 HD2 PRO 18 -5.832 8.956 4.437
128 2HD PRO 18 HD1 PRO 18 -7.255 7.889 4.448
129 H SER 19 HN SER 19 -3.907 8.220 2.650
130 HA SER 19 HA SER 19 -2.171 8.428 0.386
131 1HB SER 19 HB2 SER 19 -0.859 10.327 1.509
132 2HB SER 19 HB1 SER 19 -2.377 10.768 0.730
133 HG SER 19 HG SER 19 -1.818 10.517 3.484
134 H CYS 20 HN CYS 20 -0.363 7.260 0.767
135 HA CYS 20 HA CYS 20 -0.191 5.828 3.249
136 1HB CYS 20 HB2 CYS 20 1.577 5.803 0.811
137 2HB CYS 20 HB1 CYS 20 1.768 4.732 2.191
138 HA PRO 21 HA PRO 21 2.628 8.778 5.201
139 1HB PRO 21 HB2 PRO 21 3.239 6.471 6.979
140 2HB PRO 21 HB1 PRO 21 2.635 8.080 7.368
141 1HG PRO 21 HG2 PRO 21 1.077 5.904 7.492
142 2HG PRO 21 HG1 PRO 21 0.445 7.490 7.014
143 1HD PRO 21 HD2 PRO 21 1.137 5.131 5.311
144 2HD PRO 21 HD1 PRO 21 -0.215 6.277 5.180
145 H THR 22 HN THR 22 4.094 8.812 3.491
146 HA THR 22 HA THR 22 5.633 6.547 2.795
147 HB THR 22 HB THR 22 4.846 8.102 1.102
148 HG1 THR 22 HG1 THR 22 7.144 7.015 1.102
149 1HG2 THR 22 HG21 THR 22 6.148 10.292 0.877
150 2HG2 THR 22 HG22 THR 22 6.541 10.111 2.579
151 3HG2 THR 22 HG23 THR 22 4.861 10.221 2.070
152 H ASP 23 HN ASP 23 6.415 6.660 5.260
153 HA ASP 23 HA ASP 23 8.897 8.135 5.538
154 1HB ASP 23 HB2 ASP 23 7.480 7.684 7.513
155 2HB ASP 23 HB1 ASP 23 7.708 5.954 7.281
156 H ARG 24 HN ARG 24 7.767 4.857 4.848
157 HA ARG 24 HA ARG 24 10.472 3.808 4.641
158 1HB ARG 24 HB2 ARG 24 7.839 2.506 3.910
159 2HB ARG 24 HB1 ARG 24 9.402 1.706 4.044
160 1HG ARG 24 HG2 ARG 24 9.429 2.261 6.453
161 2HG ARG 24 HG1 ARG 24 7.813 2.953 6.279
162 1HD ARG 24 HD2 ARG 24 7.083 0.708 5.359
163 2HD ARG 24 HD1 ARG 24 8.666 0.107 5.862
164 HE ARG 24 HE ARG 24 7.142 1.416 7.946
165 1HH1 ARG 24 HH11 ARG 24 7.901 -1.631 6.395
166 2HH1 ARG 24 HH12 ARG 24 7.303 -2.582 7.693
167 1HH2 ARG 24 HH21 ARG 24 6.336 0.150 9.656
168 2HH2 ARG 24 HH22 ARG 24 6.405 -1.578 9.552
169 H GLY 25 HN GLY 25 8.749 5.806 2.703
170 1HA GLY 25 HA2 GLY 25 9.054 6.465 0.558
171 2HA GLY 25 HA1 GLY 25 10.334 5.276 0.413
172 H TYR 26 HN TYR 26 6.778 5.222 0.886
173 HA TYR 26 HA TYR 26 6.406 2.766 -0.404
174 1HB TYR 26 HB2 TYR 26 4.469 5.030 0.093
175 2HB TYR 26 HB1 TYR 26 3.988 3.455 -0.531
176 HD1 TYR 26 HD1 TYR 26 4.949 1.425 0.911
177 HD2 TYR 26 HD2 TYR 26 4.205 5.322 2.389
178 HE1 TYR 26 HE1 TYR 26 4.781 0.509 3.190
179 HE2 TYR 26 HE2 TYR 26 4.022 4.414 4.667
180 HH TYR 26 HH TYR 26 5.174 1.882 5.741
181 H THR 27 HN THR 27 6.413 2.213 -2.473
182 HA THR 27 HA THR 27 6.683 4.346 -4.459
183 HB THR 27 HB THR 27 7.277 1.380 -4.757
184 HG1 THR 27 HG1 THR 27 9.029 3.532 -4.010
185 1HG2 THR 27 HG21 THR 27 8.746 2.165 -6.572
186 2HG2 THR 27 HG22 THR 27 8.160 3.809 -6.328
187 3HG2 THR 27 HG23 THR 27 7.055 2.551 -6.882
188 H GLY 28 HN GLY 28 4.611 1.675 -3.579
189 1HA GLY 28 HA2 GLY 28 2.852 2.341 -5.866
190 2HA GLY 28 HA1 GLY 28 3.072 0.712 -5.250
191 H SER 29 HN SER 29 0.786 2.768 -5.403
192 HA SER 29 HA SER 29 -0.130 2.408 -2.607
193 1HB SER 29 HB2 SER 29 -0.900 4.584 -4.571
194 2HB SER 29 HB1 SER 29 -1.549 4.381 -2.942
195 HG SER 29 HG SER 29 1.054 5.139 -3.731
196 H CYS 30 HN CYS 30 -0.838 0.309 -3.216
197 HA CYS 30 HA CYS 30 -2.867 0.071 -5.294
198 1HB CYS 30 HB2 CYS 30 -1.789 -1.992 -3.375
199 2HB CYS 30 HB1 CYS 30 -2.765 -2.312 -4.793
200 H ARG 31 HN ARG 31 -4.949 -1.069 -4.762
201 HA ARG 31 HA ARG 31 -5.991 -0.026 -2.206
202 1HB ARG 31 HB2 ARG 31 -7.141 0.691 -4.275
203 2HB ARG 31 HB1 ARG 31 -7.543 -0.982 -4.626
204 1HG ARG 31 HG2 ARG 31 -8.355 0.260 -2.007
205 2HG ARG 31 HG1 ARG 31 -9.279 0.578 -3.474
206 1HD ARG 31 HD2 ARG 31 -9.830 -1.675 -3.745
207 2HD ARG 31 HD1 ARG 31 -8.652 -2.229 -2.602
208 HE ARG 31 HE ARG 31 -9.972 -1.213 -0.822
209 1HH1 ARG 31 HH11 ARG 31 -11.558 -1.924 -3.882
210 2HH1 ARG 31 HH12 ARG 31 -13.113 -2.046 -3.166
211 1HH2 ARG 31 HH21 ARG 31 -12.050 -1.407 0.100
212 2HH2 ARG 31 HH22 ARG 31 -13.409 -1.756 -0.916
213 H TYR 32 HN TYR 32 -6.498 -1.375 -0.627
214 HA TYR 32 HA TYR 32 -6.584 -4.273 -1.230
215 1HB TYR 32 HB2 TYR 32 -4.721 -3.281 0.269
216 2HB TYR 32 HB1 TYR 32 -5.970 -3.061 1.472
217 HD1 TYR 32 HD1 TYR 32 -3.787 -5.433 -0.188
218 HD2 TYR 32 HD2 TYR 32 -7.127 -5.073 2.415
219 HE1 TYR 32 HE1 TYR 32 -3.468 -7.755 0.546
220 HE2 TYR 32 HE2 TYR 32 -6.825 -7.391 3.147
221 HH TYR 32 HH TYR 32 -5.389 -9.608 1.691
222 H PHE 33 HN PHE 33 -8.163 -5.504 -0.085
223 HA PHE 33 HA PHE 33 -10.714 -4.622 -0.182
224 1HB PHE 33 HB2 PHE 33 -9.652 -6.583 1.848
225 2HB PHE 33 HB1 PHE 33 -11.342 -6.416 1.409
226 HD1 PHE 33 HD1 PHE 33 -11.812 -6.657 -1.192
227 HD2 PHE 33 HD2 PHE 33 -8.406 -8.227 0.837
228 HE1 PHE 33 HE1 PHE 33 -11.506 -8.309 -2.983
229 HE2 PHE 33 HE2 PHE 33 -8.100 -9.879 -0.958
230 HZ PHE 33 HZ PHE 33 -9.650 -9.923 -2.870
231 H LEU 34 HN LEU 34 -8.649 -4.380 2.696
232 HA LEU 34 HA LEU 34 -10.807 -3.085 4.157
233 1HB LEU 34 HB2 LEU 34 -8.116 -3.992 5.077
234 2HB LEU 34 HB1 LEU 34 -9.355 -3.369 6.111
235 HG LEU 34 HG LEU 34 -9.497 -5.648 6.457
236 1HD1 LEU 34 HD11 LEU 34 -11.591 -6.340 5.560
237 2HD1 LEU 34 HD12 LEU 34 -11.463 -5.212 4.214
238 3HD1 LEU 34 HD13 LEU 34 -11.670 -4.606 5.860
239 1HD2 LEU 34 HD21 LEU 34 -9.357 -6.206 3.519
240 2HD2 LEU 34 HD22 LEU 34 -9.290 -7.353 4.826
241 3HD2 LEU 34 HD23 LEU 34 -7.958 -6.232 4.567
242 H GLY 35 HN GLY 35 -8.258 -2.028 2.246
243 1HA GLY 35 HA2 GLY 35 -8.712 0.639 2.728
244 2HA GLY 35 HA1 GLY 35 -7.430 0.177 3.822
245 H THR 36 HN THR 36 -5.547 0.843 3.081
246 HA THR 36 HA THR 36 -5.124 0.887 0.161
247 HB THR 36 HB THR 36 -3.642 2.581 2.193
248 HG1 THR 36 HG1 THR 36 -6.094 3.220 0.849
249 1HG2 THR 36 HG21 THR 36 -4.224 2.923 -0.755
250 2HG2 THR 36 HG22 THR 36 -2.681 2.425 -0.057
251 3HG2 THR 36 HG23 THR 36 -3.313 4.040 0.261
252 H CYS 37 HN CYS 37 -3.630 -0.435 -0.624
253 HA CYS 37 HA CYS 37 -1.800 -1.821 1.170
254 1HB CYS 37 HB2 CYS 37 -2.936 -3.171 -0.448
255 2HB CYS 37 HB1 CYS 37 -2.411 -2.148 -1.751
256 H CYS 38 HN CYS 38 -0.244 -0.393 1.758
257 HA CYS 38 HA CYS 38 1.029 1.307 -0.238
258 1HB CYS 38 HB2 CYS 38 1.558 1.063 2.733
259 2HB CYS 38 HB1 CYS 38 2.115 2.336 1.658
260 H THR 39 HN THR 39 2.535 0.358 -1.466
261 HA THR 39 HA THR 39 4.312 -1.632 -0.223
262 HB THR 39 HB THR 39 4.450 -2.575 -2.558
263 HG1 THR 39 HG1 THR 39 2.096 -1.032 -3.013
264 1HG2 THR 39 HG21 THR 39 2.001 -2.603 -0.864
265 2HG2 THR 39 HG22 THR 39 3.173 -3.875 -1.176
266 3HG2 THR 39 HG23 THR 39 2.013 -3.447 -2.400
267 HA PRO 40 HA PRO 40 7.672 0.690 -2.116
268 1HB PRO 40 HB2 PRO 40 9.405 0.441 -0.014
269 2HB PRO 40 HB1 PRO 40 8.228 1.726 -0.170
270 1HG PRO 40 HG2 PRO 40 8.250 -0.448 1.734
271 2HG PRO 40 HG1 PRO 40 7.230 0.989 1.695
272 1HD PRO 40 HD2 PRO 40 6.650 -1.714 0.779
273 2HD PRO 40 HD1 PRO 40 5.527 -0.416 1.121
274 H ALA 41 HN ALA 41 8.968 -1.626 0.160
275 HA ALA 41 HA ALA 41 9.422 -3.808 -1.520
276 1HB ALA 41 HB1 ALA 41 11.739 -1.902 -1.204
277 2HB ALA 41 HB2 ALA 41 10.909 -2.291 -2.710
278 3HB ALA 41 HB3 ALA 41 11.840 -3.532 -1.874
279 H ASP 42 HN ASP 42 8.437 -3.442 1.004
280 HA ASP 42 HA ASP 42 10.536 -3.732 2.972
281 1HB ASP 42 HB2 ASP 42 8.489 -2.351 3.340
282 2HB ASP 42 HB1 ASP 42 7.525 -3.821 3.320
Start of MODEL 8
1 1H GLY 1 HT1 GLY 1 1.075 -8.780 11.680
2 2H GLY 1 HT2 GLY 1 2.623 -8.220 12.063
3 3H GLY 1 HT3 GLY 1 2.391 -9.175 10.688
4 1HA GLY 1 HA1 GLY 1 1.315 -6.444 11.122
5 2HA GLY 1 HA2 GLY 1 2.680 -6.854 10.091
6 H THR 2 HN THR 2 0.372 -5.504 9.198
7 HA THR 2 HA THR 2 -1.218 -7.460 7.722
8 HB THR 2 HB THR 2 -2.278 -5.327 6.773
9 HG1 THR 2 HG1 THR 2 -0.954 -3.997 8.890
10 1HG2 THR 2 HG21 THR 2 -3.308 -6.601 8.579
11 2HG2 THR 2 HG22 THR 2 -3.548 -4.868 8.780
12 3HG2 THR 2 HG23 THR 2 -2.339 -5.702 9.750
13 H ALA 3 HN ALA 3 0.880 -8.230 6.767
14 HA ALA 3 HA ALA 3 2.357 -6.711 4.933
15 1HB ALA 3 HB1 ALA 3 3.212 -8.834 4.111
16 2HB ALA 3 HB2 ALA 3 1.917 -9.695 4.949
17 3HB ALA 3 HB3 ALA 3 3.139 -8.822 5.873
18 H CYS 4 HN CYS 4 2.292 -6.519 2.714
19 HA CYS 4 HA CYS 4 0.037 -7.644 1.232
20 1HB CYS 4 HB2 CYS 4 -0.831 -5.584 2.244
21 2HB CYS 4 HB1 CYS 4 0.473 -4.661 1.529
22 H SER 5 HN SER 5 0.210 -7.155 -1.100
23 HA SER 5 HA SER 5 2.865 -6.353 -2.020
24 1HB SER 5 HB2 SER 5 1.606 -9.020 -2.724
25 2HB SER 5 HB1 SER 5 3.163 -8.403 -3.285
26 HG SER 5 HG SER 5 3.059 -9.926 -1.373
27 H CYS 6 HN CYS 6 2.891 -5.572 -4.099
28 HA CYS 6 HA CYS 6 0.591 -5.924 -5.824
29 1HB CYS 6 HB2 CYS 6 0.042 -3.935 -4.338
30 2HB CYS 6 HB1 CYS 6 1.392 -3.088 -5.085
31 H GLY 7 HN GLY 7 1.404 -6.273 -7.796
32 1HA GLY 7 HA2 GLY 7 2.854 -6.327 -9.551
33 2HA GLY 7 HA1 GLY 7 3.385 -4.722 -9.065
34 H ASN 8 HN ASN 8 5.506 -4.647 -8.712
35 HA ASN 8 HA ASN 8 6.947 -7.073 -7.858
36 1HB ASN 8 HB2 ASN 8 7.808 -4.444 -9.052
37 2HB ASN 8 HB1 ASN 8 8.971 -5.504 -8.262
38 1HD2 ASN 8 HD21 ASN 8 10.124 -5.885 -10.121
39 2HD2 ASN 8 HD22 ASN 8 9.498 -6.848 -11.411
40 H SER 9 HN SER 9 5.538 -4.320 -6.512
41 HA SER 9 HA SER 9 7.581 -4.011 -4.459
42 1HB SER 9 HB2 SER 9 6.142 -2.084 -3.762
43 2HB SER 9 HB1 SER 9 6.773 -1.979 -5.396
44 HG SER 9 HG SER 9 4.140 -2.758 -4.650
45 H LYS 10 HN LYS 10 7.348 -4.527 -2.344
46 HA LYS 10 HA LYS 10 4.773 -5.670 -1.465
47 1HB LYS 10 HB2 LYS 10 7.539 -6.781 -1.022
48 2HB LYS 10 HB1 LYS 10 6.160 -7.239 -0.026
49 1HG LYS 10 HG2 LYS 10 5.026 -7.950 -2.158
50 2HG LYS 10 HG1 LYS 10 6.567 -7.723 -2.966
51 1HD LYS 10 HD2 LYS 10 7.619 -9.373 -1.602
52 2HD LYS 10 HD1 LYS 10 6.202 -9.506 -0.558
53 1HE LYS 10 HE2 LYS 10 6.235 -11.389 -2.028
54 2HE LYS 10 HE1 LYS 10 4.908 -10.339 -2.515
55 1HZ LYS 10 HZ1 LYS 10 6.165 -11.169 -4.407
56 2HZ LYS 10 HZ2 LYS 10 7.578 -10.453 -3.819
57 3HZ LYS 10 HZ3 LYS 10 6.277 -9.485 -4.305
58 H GLY 11 HN GLY 11 4.116 -5.133 0.556
59 1HA GLY 11 HA2 GLY 11 5.855 -3.852 2.453
60 2HA GLY 11 HA1 GLY 11 4.830 -2.727 1.606
61 H ILE 12 HN ILE 12 3.327 -2.112 3.004
62 HA ILE 12 HA ILE 12 1.796 -4.192 4.460
63 HB ILE 12 HB ILE 12 2.726 -1.513 5.542
64 1HG1 ILE 12 HG12 ILE 12 4.551 -3.131 5.476
65 2HG1 ILE 12 HG11 ILE 12 4.060 -2.825 7.136
66 1HG2 ILE 12 HG21 ILE 12 1.765 -2.345 7.691
67 2HG2 ILE 12 HG22 ILE 12 1.022 -3.660 6.792
68 3HG2 ILE 12 HG23 ILE 12 0.572 -1.995 6.449
69 1HD1 ILE 12 HD11 ILE 12 2.560 -5.055 6.338
70 2HD1 ILE 12 HD12 ILE 12 3.960 -5.015 7.400
71 3HD1 ILE 12 HD13 ILE 12 4.174 -5.293 5.676
72 H TYR 13 HN TYR 13 -0.421 -3.887 4.491
73 HA TYR 13 HA TYR 13 -1.363 -1.512 3.033
74 1HB TYR 13 HB2 TYR 13 -3.260 -2.643 2.362
75 2HB TYR 13 HB1 TYR 13 -2.025 -3.859 2.266
76 HD1 TYR 13 HD1 TYR 13 -5.090 -2.828 3.907
77 HD2 TYR 13 HD2 TYR 13 -1.967 -5.728 3.917
78 HE1 TYR 13 HE1 TYR 13 -6.439 -4.306 5.309
79 HE2 TYR 13 HE2 TYR 13 -3.348 -7.216 5.293
80 HH TYR 13 HH TYR 13 -5.631 -6.494 7.068
81 H TRP 14 HN TRP 14 -2.735 -0.096 3.884
82 HA TRP 14 HA TRP 14 -3.099 -0.225 6.800
83 1HB TRP 14 HB2 TRP 14 -3.191 2.123 4.880
84 2HB TRP 14 HB1 TRP 14 -3.407 2.192 6.622
85 HD1 TRP 14 HD1 TRP 14 -0.606 0.679 4.373
86 HE1 TRP 14 HE1 TRP 14 1.652 1.423 5.340
87 HE3 TRP 14 HE3 TRP 14 -2.282 3.504 8.299
88 HZ2 TRP 14 HZ2 TRP 14 2.604 3.009 7.469
89 HZ3 TRP 14 HZ3 TRP 14 -0.631 4.611 9.741
90 HH2 TRP 14 HH2 TRP 14 1.764 4.364 9.336
91 H PHE 15 HN PHE 15 -5.118 0.170 7.721
92 HA PHE 15 HA PHE 15 -7.360 -0.607 6.070
93 1HB PHE 15 HB2 PHE 15 -7.202 0.172 8.989
94 2HB PHE 15 HB1 PHE 15 -8.658 -0.413 8.191
95 HD1 PHE 15 HD1 PHE 15 -5.560 -1.340 9.777
96 HD2 PHE 15 HD2 PHE 15 -8.689 -2.731 7.251
97 HE1 PHE 15 HE1 PHE 15 -4.901 -3.662 10.242
98 HE2 PHE 15 HE2 PHE 15 -8.030 -5.057 7.708
99 HZ PHE 15 HZ PHE 15 -6.136 -5.525 9.208
100 H TYR 16 HN TYR 16 -7.786 1.013 4.651
101 HA TYR 16 HA TYR 16 -8.630 2.888 3.775
102 1HB TYR 16 HB2 TYR 16 -9.923 2.994 6.504
103 2HB TYR 16 HB1 TYR 16 -10.340 4.090 5.193
104 HD1 TYR 16 HD1 TYR 16 -11.172 3.074 2.997
105 HD2 TYR 16 HD2 TYR 16 -10.973 0.880 6.645
106 HE1 TYR 16 HE1 TYR 16 -12.786 1.452 2.106
107 HE2 TYR 16 HE2 TYR 16 -12.586 -0.745 5.756
108 HH TYR 16 HH TYR 16 -14.574 -0.406 3.661
109 H ARG 17 HN ARG 17 -6.421 3.716 3.716
110 HA ARG 17 HA ARG 17 -6.212 6.207 5.263
111 1HB ARG 17 HB2 ARG 17 -3.964 4.286 4.666
112 2HB ARG 17 HB1 ARG 17 -3.743 5.906 5.316
113 1HG ARG 17 HG2 ARG 17 -5.356 3.749 6.680
114 2HG ARG 17 HG1 ARG 17 -3.660 4.080 6.986
115 1HD ARG 17 HD2 ARG 17 -5.768 6.201 7.275
116 2HD ARG 17 HD1 ARG 17 -5.309 5.112 8.577
117 HE ARG 17 HE ARG 17 -3.041 6.420 7.421
118 1HH1 ARG 17 HH11 ARG 17 -5.720 6.912 9.640
119 2HH1 ARG 17 HH12 ARG 17 -4.842 8.020 10.625
120 1HH2 ARG 17 HH21 ARG 17 -1.897 7.888 8.745
121 2HH2 ARG 17 HH22 ARG 17 -2.679 8.585 10.125
122 HA PRO 18 HA PRO 18 -6.544 6.921 0.713
123 1HB PRO 18 HB2 PRO 18 -7.153 9.636 1.814
124 2HB PRO 18 HB1 PRO 18 -7.993 8.695 0.575
125 1HG PRO 18 HG2 PRO 18 -8.997 8.928 3.021
126 2HG PRO 18 HG1 PRO 18 -9.109 7.397 2.133
127 1HD PRO 18 HD2 PRO 18 -7.284 8.167 4.368
128 2HD PRO 18 HD1 PRO 18 -8.090 6.619 4.040
129 H SER 19 HN SER 19 -4.724 8.608 3.191
130 HA SER 19 HA SER 19 -2.953 9.777 1.152
131 1HB SER 19 HB2 SER 19 -4.010 11.297 2.854
132 2HB SER 19 HB1 SER 19 -3.127 10.434 4.110
133 HG SER 19 HG SER 19 -2.108 12.390 3.263
134 H CYS 20 HN CYS 20 -1.760 7.926 0.690
135 HA CYS 20 HA CYS 20 -0.694 6.230 2.675
136 1HB CYS 20 HB2 CYS 20 -1.008 5.456 0.407
137 2HB CYS 20 HB1 CYS 20 0.155 6.632 -0.188
138 HA PRO 21 HA PRO 21 2.370 9.170 4.117
139 1HB PRO 21 HB2 PRO 21 3.745 7.367 5.713
140 2HB PRO 21 HB1 PRO 21 2.280 8.229 6.182
141 1HG PRO 21 HG2 PRO 21 2.577 5.446 5.140
142 2HG PRO 21 HG1 PRO 21 1.544 6.053 6.448
143 1HD PRO 21 HD2 PRO 21 0.574 5.507 4.022
144 2HD PRO 21 HD1 PRO 21 -0.051 6.868 4.979
145 H THR 22 HN THR 22 3.918 9.762 2.727
146 HA THR 22 HA THR 22 5.460 7.785 1.265
147 HB THR 22 HB THR 22 4.572 9.833 0.151
148 HG1 THR 22 HG1 THR 22 7.434 9.728 0.136
149 1HG2 THR 22 HG21 THR 22 5.519 11.985 0.534
150 2HG2 THR 22 HG22 THR 22 6.678 11.345 1.692
151 3HG2 THR 22 HG23 THR 22 4.962 11.381 2.090
152 H ASP 23 HN ASP 23 5.812 8.189 4.223
153 HA ASP 23 HA ASP 23 8.301 9.500 4.615
154 1HB ASP 23 HB2 ASP 23 6.597 7.765 6.413
155 2HB ASP 23 HB1 ASP 23 8.070 8.568 6.948
156 H ARG 24 HN ARG 24 7.367 6.178 3.926
157 HA ARG 24 HA ARG 24 10.189 5.395 4.363
158 1HB ARG 24 HB2 ARG 24 7.706 3.718 4.654
159 2HB ARG 24 HB1 ARG 24 9.341 3.075 4.662
160 1HG ARG 24 HG2 ARG 24 9.729 4.731 6.616
161 2HG ARG 24 HG1 ARG 24 7.964 4.775 6.703
162 1HD ARG 24 HD2 ARG 24 9.774 2.405 6.986
163 2HD ARG 24 HD1 ARG 24 8.744 3.106 8.220
164 HE ARG 24 HE ARG 24 6.818 2.408 6.747
165 1HH1 ARG 24 HH11 ARG 24 9.856 0.615 6.821
166 2HH1 ARG 24 HH12 ARG 24 9.104 -0.830 6.333
167 1HH2 ARG 24 HH21 ARG 24 5.897 0.451 6.021
168 2HH2 ARG 24 HH22 ARG 24 6.895 -0.947 5.823
169 H GLY 25 HN GLY 25 9.337 6.592 1.964
170 1HA GLY 25 HA2 GLY 25 9.602 6.301 -0.279
171 2HA GLY 25 HA1 GLY 25 10.692 5.018 0.208
172 H TYR 26 HN TYR 26 7.265 4.786 0.919
173 HA TYR 26 HA TYR 26 6.808 2.336 -0.264
174 1HB TYR 26 HB2 TYR 26 4.920 4.642 0.172
175 2HB TYR 26 HB1 TYR 26 4.392 3.039 -0.327
176 HD1 TYR 26 HD1 TYR 26 5.277 5.102 2.458
177 HD2 TYR 26 HD2 TYR 26 4.898 1.084 1.201
178 HE1 TYR 26 HE1 TYR 26 5.140 4.400 4.810
179 HE2 TYR 26 HE2 TYR 26 4.787 0.345 3.546
180 HH TYR 26 HH TYR 26 3.959 1.850 5.897
181 H THR 27 HN THR 27 6.856 1.699 -2.311
182 HA THR 27 HA THR 27 7.253 3.635 -4.378
183 HB THR 27 HB THR 27 7.100 0.611 -4.658
184 HG1 THR 27 HG1 THR 27 9.359 2.262 -4.016
185 1HG2 THR 27 HG21 THR 27 8.644 1.032 -6.543
186 2HG2 THR 27 HG22 THR 27 8.440 2.766 -6.305
187 3HG2 THR 27 HG23 THR 27 7.064 1.771 -6.785
188 H GLY 28 HN GLY 28 4.843 1.106 -3.715
189 1HA GLY 28 HA2 GLY 28 3.078 2.380 -5.731
190 2HA GLY 28 HA1 GLY 28 3.147 0.654 -5.421
191 H SER 29 HN SER 29 0.865 2.345 -5.307
192 HA SER 29 HA SER 29 0.009 1.658 -2.596
193 1HB SER 29 HB2 SER 29 0.557 4.120 -2.700
194 2HB SER 29 HB1 SER 29 -0.759 4.292 -3.858
195 HG SER 29 HG SER 29 -1.455 4.708 -1.726
196 H CYS 30 HN CYS 30 -1.282 0.043 -3.170
197 HA CYS 30 HA CYS 30 -3.215 0.453 -5.376
198 1HB CYS 30 HB2 CYS 30 -2.142 -2.140 -4.225
199 2HB CYS 30 HB1 CYS 30 -3.178 -1.956 -5.640
200 H ARG 31 HN ARG 31 -5.387 -0.108 -5.022
201 HA ARG 31 HA ARG 31 -6.196 0.157 -2.272
202 1HB ARG 31 HB2 ARG 31 -7.419 1.217 -4.156
203 2HB ARG 31 HB1 ARG 31 -7.945 -0.372 -4.691
204 1HG ARG 31 HG2 ARG 31 -8.495 0.540 -1.877
205 2HG ARG 31 HG1 ARG 31 -9.495 1.109 -3.212
206 1HD ARG 31 HD2 ARG 31 -10.324 -0.996 -3.671
207 2HD ARG 31 HD1 ARG 31 -9.007 -1.824 -2.918
208 HE ARG 31 HE ARG 31 -9.890 -1.425 -0.791
209 1HH1 ARG 31 HH11 ARG 31 -12.002 -0.305 -3.372
210 2HH1 ARG 31 HH12 ARG 31 -13.402 -0.327 -2.376
211 1HH2 ARG 31 HH21 ARG 31 -11.780 -1.444 0.502
212 2HH2 ARG 31 HH22 ARG 31 -13.292 -0.959 -0.190
213 H TYR 32 HN TYR 32 -6.059 -1.484 -0.968
214 HA TYR 32 HA TYR 32 -6.423 -4.231 -1.920
215 1HB TYR 32 HB2 TYR 32 -4.509 -3.516 -0.446
216 2HB TYR 32 HB1 TYR 32 -5.648 -3.259 0.854
217 HD1 TYR 32 HD1 TYR 32 -6.527 -5.147 2.076
218 HD2 TYR 32 HD2 TYR 32 -4.071 -5.773 -1.339
219 HE1 TYR 32 HE1 TYR 32 -6.321 -7.518 2.672
220 HE2 TYR 32 HE2 TYR 32 -3.852 -8.147 -0.747
221 HH TYR 32 HH TYR 32 -4.238 -9.416 1.958
222 H PHE 33 HN PHE 33 -7.843 -5.638 -0.699
223 HA PHE 33 HA PHE 33 -10.449 -4.948 -0.696
224 1HB PHE 33 HB2 PHE 33 -9.278 -6.849 1.335
225 2HB PHE 33 HB1 PHE 33 -10.923 -6.863 0.716
226 HD1 PHE 33 HD1 PHE 33 -11.157 -7.200 -1.858
227 HD2 PHE 33 HD2 PHE 33 -7.690 -8.210 0.378
228 HE1 PHE 33 HE1 PHE 33 -10.456 -8.744 -3.634
229 HE2 PHE 33 HE2 PHE 33 -6.972 -9.742 -1.394
230 HZ PHE 33 HZ PHE 33 -8.362 -10.016 -3.408
231 H LEU 34 HN LEU 34 -8.391 -4.770 2.213
232 HA LEU 34 HA LEU 34 -10.582 -3.593 3.717
233 1HB LEU 34 HB2 LEU 34 -7.840 -4.435 4.520
234 2HB LEU 34 HB1 LEU 34 -8.968 -3.733 5.624
235 HG LEU 34 HG LEU 34 -9.078 -6.017 6.059
236 1HD1 LEU 34 HD11 LEU 34 -11.300 -6.651 5.508
237 2HD1 LEU 34 HD12 LEU 34 -11.340 -5.566 4.121
238 3HD1 LEU 34 HD13 LEU 34 -11.283 -4.907 5.759
239 1HD2 LEU 34 HD21 LEU 34 -9.465 -6.681 3.169
240 2HD2 LEU 34 HD22 LEU 34 -9.085 -7.756 4.499
241 3HD2 LEU 34 HD23 LEU 34 -7.868 -6.630 3.904
242 H GLY 35 HN GLY 35 -8.104 -2.297 1.811
243 1HA GLY 35 HA2 GLY 35 -8.790 0.297 2.312
244 2HA GLY 35 HA1 GLY 35 -7.561 -0.060 3.498
245 H THR 36 HN THR 36 -5.760 0.899 2.922
246 HA THR 36 HA THR 36 -5.120 1.080 0.054
247 HB THR 36 HB THR 36 -3.998 2.798 2.286
248 HG1 THR 36 HG1 THR 36 -6.331 2.929 2.240
249 1HG2 THR 36 HG21 THR 36 -2.813 2.878 0.143
250 2HG2 THR 36 HG22 THR 36 -3.657 4.392 0.463
251 3HG2 THR 36 HG23 THR 36 -4.328 3.237 -0.688
252 H CYS 37 HN CYS 37 -3.695 -0.414 -0.551
253 HA CYS 37 HA CYS 37 -1.746 -1.481 1.278
254 1HB CYS 37 HB2 CYS 37 -2.855 -3.007 -0.173
255 2HB CYS 37 HB1 CYS 37 -2.368 -2.108 -1.587
256 H CYS 38 HN CYS 38 0.049 -0.345 1.689
257 HA CYS 38 HA CYS 38 1.261 1.187 -0.529
258 1HB CYS 38 HB2 CYS 38 1.650 1.390 2.460
259 2HB CYS 38 HB1 CYS 38 2.532 2.320 1.263
260 H THR 39 HN THR 39 2.852 0.193 -1.554
261 HA THR 39 HA THR 39 4.447 -1.795 -0.088
262 HB THR 39 HB THR 39 4.597 -2.946 -2.329
263 HG1 THR 39 HG1 THR 39 2.323 -1.346 -2.963
264 1HG2 THR 39 HG21 THR 39 2.282 -2.809 -0.521
265 2HG2 THR 39 HG22 THR 39 3.228 -4.185 -1.076
266 3HG2 THR 39 HG23 THR 39 1.983 -3.518 -2.107
267 HA PRO 40 HA PRO 40 7.973 0.212 -2.050
268 1HB PRO 40 HB2 PRO 40 9.633 0.041 0.114
269 2HB PRO 40 HB1 PRO 40 8.506 1.346 -0.143
270 1HG PRO 40 HG2 PRO 40 8.394 -0.732 1.872
271 2HG PRO 40 HG1 PRO 40 7.430 0.739 1.733
272 1HD PRO 40 HD2 PRO 40 6.782 -1.990 0.927
273 2HD PRO 40 HD1 PRO 40 5.697 -0.638 1.185
274 H ALA 41 HN ALA 41 9.404 -1.832 0.336
275 HA ALA 41 HA ALA 41 9.408 -4.262 -1.111
276 1HB ALA 41 HB1 ALA 41 11.817 -4.382 -1.559
277 2HB ALA 41 HB2 ALA 41 12.010 -2.716 -1.007
278 3HB ALA 41 HB3 ALA 41 11.072 -3.061 -2.459
279 H ASP 42 HN ASP 42 8.742 -3.182 1.482
280 HA ASP 42 HA ASP 42 10.823 -4.305 3.237
281 1HB ASP 42 HB2 ASP 42 10.498 -1.859 3.335
282 2HB ASP 42 HB1 ASP 42 8.807 -2.104 3.755
Start of MODEL 9
1 1H GLY 1 HT1 GLY 1 1.980 -7.808 11.454
2 2H GLY 1 HT2 GLY 1 3.639 -8.115 11.564
3 3H GLY 1 HT3 GLY 1 2.632 -9.215 10.769
4 1HA GLY 1 HA1 GLY 1 3.232 -6.443 9.902
5 2HA GLY 1 HA2 GLY 1 3.892 -7.908 9.190
6 H THR 2 HN THR 2 1.491 -5.615 8.932
7 HA THR 2 HA THR 2 -0.533 -7.302 7.725
8 HB THR 2 HB THR 2 -0.454 -4.297 7.378
9 HG1 THR 2 HG1 THR 2 -0.999 -3.961 9.456
10 1HG2 THR 2 HG21 THR 2 -2.415 -6.441 7.194
11 2HG2 THR 2 HG22 THR 2 -2.472 -4.786 6.608
12 3HG2 THR 2 HG23 THR 2 -2.925 -5.140 8.264
13 H ALA 3 HN ALA 3 1.365 -8.162 6.392
14 HA ALA 3 HA ALA 3 2.578 -6.640 4.418
15 1HB ALA 3 HB1 ALA 3 3.384 -8.741 3.520
16 2HB ALA 3 HB2 ALA 3 2.203 -9.619 4.496
17 3HB ALA 3 HB3 ALA 3 3.496 -8.711 5.279
18 H CYS 4 HN CYS 4 2.195 -6.268 2.334
19 HA CYS 4 HA CYS 4 0.051 -7.627 0.901
20 1HB CYS 4 HB2 CYS 4 -1.069 -5.708 1.928
21 2HB CYS 4 HB1 CYS 4 0.123 -4.612 1.259
22 H SER 5 HN SER 5 0.185 -6.971 -1.488
23 HA SER 5 HA SER 5 2.842 -6.015 -2.223
24 1HB SER 5 HB2 SER 5 3.044 -8.441 -1.897
25 2HB SER 5 HB1 SER 5 1.737 -8.709 -3.049
26 HG SER 5 HG SER 5 3.678 -8.924 -4.125
27 H CYS 6 HN CYS 6 3.033 -5.171 -4.213
28 HA CYS 6 HA CYS 6 0.712 -5.244 -6.035
29 1HB CYS 6 HB2 CYS 6 2.465 -2.848 -5.430
30 2HB CYS 6 HB1 CYS 6 1.275 -2.928 -6.724
31 H GLY 7 HN GLY 7 1.628 -6.840 -7.304
32 1HA GLY 7 HA2 GLY 7 2.893 -7.600 -9.056
33 2HA GLY 7 HA1 GLY 7 3.679 -6.028 -9.147
34 H ASN 8 HN ASN 8 5.703 -5.818 -8.321
35 HA ASN 8 HA ASN 8 6.845 -8.161 -6.913
36 1HB ASN 8 HB2 ASN 8 8.997 -7.451 -7.633
37 2HB ASN 8 HB1 ASN 8 7.949 -7.409 -9.047
38 1HD2 ASN 8 HD21 ASN 8 7.388 -5.412 -9.947
39 2HD2 ASN 8 HD22 ASN 8 8.227 -3.962 -9.524
40 H SER 9 HN SER 9 5.732 -4.980 -6.485
41 HA SER 9 HA SER 9 7.552 -4.227 -4.409
42 1HB SER 9 HB2 SER 9 4.861 -3.034 -5.150
43 2HB SER 9 HB1 SER 9 6.114 -2.278 -4.161
44 HG SER 9 HG SER 9 7.388 -2.055 -5.934
45 H LYS 10 HN LYS 10 7.325 -4.502 -2.250
46 HA LYS 10 HA LYS 10 4.843 -5.788 -1.261
47 1HB LYS 10 HB2 LYS 10 7.696 -6.537 -0.637
48 2HB LYS 10 HB1 LYS 10 6.288 -7.224 0.156
49 1HG LYS 10 HG2 LYS 10 5.538 -8.245 -1.864
50 2HG LYS 10 HG1 LYS 10 6.793 -7.444 -2.808
51 1HD LYS 10 HD2 LYS 10 7.318 -9.409 -0.564
52 2HD LYS 10 HD1 LYS 10 7.281 -9.831 -2.276
53 1HE LYS 10 HE2 LYS 10 9.162 -7.799 -1.058
54 2HE LYS 10 HE1 LYS 10 9.560 -9.472 -1.402
55 1HZ LYS 10 HZ1 LYS 10 10.329 -8.142 -3.184
56 2HZ LYS 10 HZ2 LYS 10 8.831 -7.391 -3.378
57 3HZ LYS 10 HZ3 LYS 10 9.011 -9.030 -3.761
58 H GLY 11 HN GLY 11 4.186 -5.194 0.773
59 1HA GLY 11 HA2 GLY 11 5.825 -3.786 2.621
60 2HA GLY 11 HA1 GLY 11 4.871 -2.659 1.679
61 H ILE 12 HN ILE 12 3.441 -1.928 3.131
62 HA ILE 12 HA ILE 12 1.865 -3.917 4.638
63 HB ILE 12 HB ILE 12 2.713 -1.138 5.478
64 1HG1 ILE 12 HG12 ILE 12 4.559 -2.764 5.559
65 2HG1 ILE 12 HG11 ILE 12 4.075 -2.259 7.172
66 1HG2 ILE 12 HG21 ILE 12 1.043 -3.200 6.889
67 2HG2 ILE 12 HG22 ILE 12 0.550 -1.584 6.401
68 3HG2 ILE 12 HG23 ILE 12 1.733 -1.793 7.683
69 1HD1 ILE 12 HD11 ILE 12 3.354 -4.853 5.828
70 2HD1 ILE 12 HD12 ILE 12 2.815 -4.352 7.429
71 3HD1 ILE 12 HD13 ILE 12 4.525 -4.620 7.118
72 H TYR 13 HN TYR 13 -0.347 -3.749 4.560
73 HA TYR 13 HA TYR 13 -1.371 -1.430 3.085
74 1HB TYR 13 HB2 TYR 13 -3.126 -2.631 2.261
75 2HB TYR 13 HB1 TYR 13 -1.835 -3.792 2.225
76 HD1 TYR 13 HD1 TYR 13 -5.036 -2.876 3.704
77 HD2 TYR 13 HD2 TYR 13 -1.873 -5.737 3.767
78 HE1 TYR 13 HE1 TYR 13 -6.459 -4.455 4.903
79 HE2 TYR 13 HE2 TYR 13 -3.325 -7.321 4.945
80 HH TYR 13 HH TYR 13 -6.292 -7.400 4.998
81 H TRP 14 HN TRP 14 -2.685 -0.045 3.999
82 HA TRP 14 HA TRP 14 -3.132 -0.287 6.874
83 1HB TRP 14 HB2 TRP 14 -3.542 2.045 4.980
84 2HB TRP 14 HB1 TRP 14 -3.655 2.105 6.738
85 HD1 TRP 14 HD1 TRP 14 -1.026 1.581 3.948
86 HE1 TRP 14 HE1 TRP 14 1.276 2.243 4.880
87 HE3 TRP 14 HE3 TRP 14 -2.325 2.465 8.816
88 HZ2 TRP 14 HZ2 TRP 14 2.398 3.043 7.332
89 HZ3 TRP 14 HZ3 TRP 14 -0.573 3.180 10.388
90 HH2 TRP 14 HH2 TRP 14 1.739 3.462 9.659
91 H PHE 15 HN PHE 15 -5.284 0.498 7.709
92 HA PHE 15 HA PHE 15 -7.359 -0.797 6.063
93 1HB PHE 15 HB2 PHE 15 -7.139 -0.335 9.030
94 2HB PHE 15 HB1 PHE 15 -8.594 -0.952 8.253
95 HD1 PHE 15 HD1 PHE 15 -8.567 -3.138 7.127
96 HD2 PHE 15 HD2 PHE 15 -5.233 -1.752 9.382
97 HE1 PHE 15 HE1 PHE 15 -7.680 -5.429 7.213
98 HE2 PHE 15 HE2 PHE 15 -4.347 -4.041 9.477
99 HZ PHE 15 HZ PHE 15 -5.568 -5.882 8.390
100 H TYR 16 HN TYR 16 -8.386 0.639 4.881
101 HA TYR 16 HA TYR 16 -9.702 2.307 4.201
102 1HB TYR 16 HB2 TYR 16 -10.470 2.408 7.126
103 2HB TYR 16 HB1 TYR 16 -11.388 3.106 5.798
104 HD1 TYR 16 HD1 TYR 16 -10.726 0.118 7.705
105 HD2 TYR 16 HD2 TYR 16 -12.388 1.564 4.055
106 HE1 TYR 16 HE1 TYR 16 -11.938 -1.998 7.420
107 HE2 TYR 16 HE2 TYR 16 -13.601 -0.553 3.770
108 HH TYR 16 HH TYR 16 -13.010 -3.190 4.885
109 H ARG 17 HN ARG 17 -7.514 3.423 3.907
110 HA ARG 17 HA ARG 17 -7.660 5.979 5.351
111 1HB ARG 17 HB2 ARG 17 -5.163 4.572 4.462
112 2HB ARG 17 HB1 ARG 17 -5.219 6.245 5.012
113 1HG ARG 17 HG2 ARG 17 -6.172 5.397 7.176
114 2HG ARG 17 HG1 ARG 17 -5.832 3.762 6.600
115 1HD ARG 17 HD2 ARG 17 -3.481 4.283 6.417
116 2HD ARG 17 HD1 ARG 17 -3.795 5.950 6.863
117 HE ARG 17 HE ARG 17 -4.315 3.672 8.684
118 1HH1 ARG 17 HH11 ARG 17 -2.949 6.858 8.080
119 2HH1 ARG 17 HH12 ARG 17 -2.456 7.071 9.709
120 1HH2 ARG 17 HH21 ARG 17 -3.640 3.995 10.848
121 2HH2 ARG 17 HH22 ARG 17 -2.836 5.467 11.282
122 HA PRO 18 HA PRO 18 -8.589 7.416 1.221
123 1HB PRO 18 HB2 PRO 18 -8.048 10.065 2.467
124 2HB PRO 18 HB1 PRO 18 -9.483 9.474 1.622
125 1HG PRO 18 HG2 PRO 18 -9.463 9.782 4.269
126 2HG PRO 18 HG1 PRO 18 -10.323 8.432 3.505
127 1HD PRO 18 HD2 PRO 18 -7.677 8.446 4.906
128 2HD PRO 18 HD1 PRO 18 -8.995 7.253 4.951
129 H SER 19 HN SER 19 -5.645 7.917 2.973
130 HA SER 19 HA SER 19 -4.267 8.597 0.479
131 1HB SER 19 HB2 SER 19 -2.865 10.215 1.757
132 2HB SER 19 HB1 SER 19 -4.557 10.698 1.648
133 HG SER 19 HG SER 19 -3.157 9.664 3.868
134 H CYS 20 HN CYS 20 -2.221 7.779 0.289
135 HA CYS 20 HA CYS 20 -1.460 5.728 2.233
136 1HB CYS 20 HB2 CYS 20 -1.497 4.997 -0.052
137 2HB CYS 20 HB1 CYS 20 -0.435 6.314 -0.533
138 HA PRO 21 HA PRO 21 1.295 8.898 3.894
139 1HB PRO 21 HB2 PRO 21 2.280 6.668 5.585
140 2HB PRO 21 HB1 PRO 21 1.548 8.206 6.039
141 1HG PRO 21 HG2 PRO 21 0.245 5.876 6.285
142 2HG PRO 21 HG1 PRO 21 -0.591 7.387 5.882
143 1HD PRO 21 HD2 PRO 21 0.216 5.128 4.090
144 2HD PRO 21 HD1 PRO 21 -1.279 6.088 4.123
145 H THR 22 HN THR 22 2.717 9.195 2.165
146 HA THR 22 HA THR 22 4.590 7.139 1.403
147 HB THR 22 HB THR 22 5.532 9.034 -0.071
148 HG1 THR 22 HG1 THR 22 4.835 10.860 0.947
149 1HG2 THR 22 HG21 THR 22 3.968 7.363 -0.919
150 2HG2 THR 22 HG22 THR 22 3.652 8.952 -1.614
151 3HG2 THR 22 HG23 THR 22 2.610 8.327 -0.336
152 H ASP 23 HN ASP 23 4.618 8.508 4.157
153 HA ASP 23 HA ASP 23 7.204 9.727 4.337
154 1HB ASP 23 HB2 ASP 23 5.300 10.353 5.803
155 2HB ASP 23 HB1 ASP 23 5.314 8.737 6.497
156 H ARG 24 HN ARG 24 5.983 6.572 4.149
157 HA ARG 24 HA ARG 24 8.333 5.424 5.489
158 1HB ARG 24 HB2 ARG 24 5.571 4.451 4.935
159 2HB ARG 24 HB1 ARG 24 6.841 3.281 5.209
160 1HG ARG 24 HG2 ARG 24 6.204 5.511 7.137
161 2HG ARG 24 HG1 ARG 24 5.428 3.926 7.194
162 1HD ARG 24 HD2 ARG 24 8.389 4.429 7.356
163 2HD ARG 24 HD1 ARG 24 7.341 4.088 8.724
164 HE ARG 24 HE ARG 24 6.812 1.932 7.425
165 1HH1 ARG 24 HH11 ARG 24 9.976 3.478 7.483
166 2HH1 ARG 24 HH12 ARG 24 10.813 1.994 7.259
167 1HH2 ARG 24 HH21 ARG 24 7.956 -0.002 7.129
168 2HH2 ARG 24 HH22 ARG 24 9.687 0.021 7.061
169 H GLY 25 HN GLY 25 8.284 6.630 2.769
170 1HA GLY 25 HA2 GLY 25 9.291 6.212 0.790
171 2HA GLY 25 HA1 GLY 25 10.020 4.833 1.587
172 H TYR 26 HN TYR 26 6.579 4.741 1.481
173 HA TYR 26 HA TYR 26 6.425 2.362 0.094
174 1HB TYR 26 HB2 TYR 26 4.355 4.541 0.402
175 2HB TYR 26 HB1 TYR 26 3.999 2.932 -0.217
176 HD1 TYR 26 HD1 TYR 26 3.450 4.744 2.525
177 HD2 TYR 26 HD2 TYR 26 5.316 1.129 1.490
178 HE1 TYR 26 HE1 TYR 26 3.084 3.918 4.811
179 HE2 TYR 26 HE2 TYR 26 4.987 0.250 3.756
180 HH TYR 26 HH TYR 26 4.550 1.812 6.257
181 H THR 27 HN THR 27 6.342 1.784 -1.999
182 HA THR 27 HA THR 27 6.876 3.858 -3.982
183 HB THR 27 HB THR 27 7.022 0.833 -4.217
184 HG1 THR 27 HG1 THR 27 9.087 2.780 -3.829
185 1HG2 THR 27 HG21 THR 27 8.455 1.406 -6.201
186 2HG2 THR 27 HG22 THR 27 7.825 3.048 -6.093
187 3HG2 THR 27 HG23 THR 27 6.730 1.697 -6.400
188 H GLY 28 HN GLY 28 4.705 1.055 -3.582
189 1HA GLY 28 HA2 GLY 28 2.964 2.161 -5.696
190 2HA GLY 28 HA1 GLY 28 3.005 0.497 -5.139
191 H SER 29 HN SER 29 0.844 2.550 -5.320
192 HA SER 29 HA SER 29 -0.172 2.212 -2.566
193 1HB SER 29 HB2 SER 29 -1.419 4.414 -3.014
194 2HB SER 29 HB1 SER 29 0.306 4.516 -2.671
195 HG SER 29 HG SER 29 -0.117 5.789 -4.449
196 H CYS 30 HN CYS 30 -1.225 0.342 -3.210
197 HA CYS 30 HA CYS 30 -3.240 0.588 -5.355
198 1HB CYS 30 HB2 CYS 30 -2.383 -1.925 -3.916
199 2HB CYS 30 HB1 CYS 30 -3.216 -1.777 -5.452
200 H ARG 31 HN ARG 31 -5.411 0.459 -4.906
201 HA ARG 31 HA ARG 31 -6.170 0.598 -2.114
202 1HB ARG 31 HB2 ARG 31 -7.302 1.985 -3.818
203 2HB ARG 31 HB1 ARG 31 -7.957 0.535 -4.564
204 1HG ARG 31 HG2 ARG 31 -8.453 1.061 -1.647
205 2HG ARG 31 HG1 ARG 31 -9.370 1.943 -2.865
206 1HD ARG 31 HD2 ARG 31 -10.472 0.091 -3.596
207 2HD ARG 31 HD1 ARG 31 -9.209 -1.009 -3.166
208 HE ARG 31 HE ARG 31 -9.922 -1.032 -0.936
209 1HH1 ARG 31 HH11 ARG 31 -12.014 0.934 -2.962
210 2HH1 ARG 31 HH12 ARG 31 -13.366 0.765 -1.915
211 1HH2 ARG 31 HH21 ARG 31 -11.743 -1.254 0.433
212 2HH2 ARG 31 HH22 ARG 31 -13.226 -0.461 0.014
213 H TYR 32 HN TYR 32 -6.358 -1.157 -0.944
214 HA TYR 32 HA TYR 32 -6.989 -3.724 -2.241
215 1HB TYR 32 HB2 TYR 32 -4.957 -3.123 -0.568
216 2HB TYR 32 HB1 TYR 32 -6.152 -3.576 0.629
217 HD1 TYR 32 HD1 TYR 32 -4.659 -4.789 -2.578
218 HD2 TYR 32 HD2 TYR 32 -6.314 -5.836 1.206
219 HE1 TYR 32 HE1 TYR 32 -4.102 -7.143 -2.992
220 HE2 TYR 32 HE2 TYR 32 -5.756 -8.197 0.797
221 HH TYR 32 HH TYR 32 -3.716 -9.326 -0.991
222 H PHE 33 HN PHE 33 -8.504 -5.140 -1.121
223 HA PHE 33 HA PHE 33 -10.950 -4.007 -0.900
224 1HB PHE 33 HB2 PHE 33 -10.273 -6.488 -1.040
225 2HB PHE 33 HB1 PHE 33 -10.284 -6.472 0.711
226 HD1 PHE 33 HD1 PHE 33 -12.336 -6.576 1.914
227 HD2 PHE 33 HD2 PHE 33 -12.356 -5.963 -2.301
228 HE1 PHE 33 HE1 PHE 33 -14.761 -6.953 1.872
229 HE2 PHE 33 HE2 PHE 33 -14.782 -6.342 -2.345
230 HZ PHE 33 HZ PHE 33 -15.988 -6.838 -0.258
231 H LEU 34 HN LEU 34 -8.728 -4.593 1.822
232 HA LEU 34 HA LEU 34 -10.705 -3.535 3.697
233 1HB LEU 34 HB2 LEU 34 -7.953 -4.609 4.148
234 2HB LEU 34 HB1 LEU 34 -9.021 -4.100 5.418
235 HG LEU 34 HG LEU 34 -9.242 -6.387 5.478
236 1HD1 LEU 34 HD11 LEU 34 -11.415 -5.602 3.545
237 2HD1 LEU 34 HD12 LEU 34 -11.435 -5.277 5.277
238 3HD1 LEU 34 HD13 LEU 34 -11.437 -6.938 4.691
239 1HD2 LEU 34 HD21 LEU 34 -9.374 -6.535 2.478
240 2HD2 LEU 34 HD22 LEU 34 -9.280 -7.866 3.613
241 3HD2 LEU 34 HD23 LEU 34 -7.908 -6.780 3.416
242 H GLY 35 HN GLY 35 -8.123 -2.229 1.846
243 1HA GLY 35 HA2 GLY 35 -8.550 0.354 2.690
244 2HA GLY 35 HA1 GLY 35 -7.323 -0.279 3.757
245 H THR 36 HN THR 36 -5.503 0.688 3.182
246 HA THR 36 HA THR 36 -4.988 1.137 0.322
247 HB THR 36 HB THR 36 -3.446 2.488 2.537
248 HG1 THR 36 HG1 THR 36 -6.108 3.199 1.741
249 1HG2 THR 36 HG21 THR 36 -2.851 2.893 0.189
250 2HG2 THR 36 HG22 THR 36 -3.492 4.344 0.959
251 3HG2 THR 36 HG23 THR 36 -4.507 3.411 -0.139
252 H CYS 37 HN CYS 37 -3.764 -0.465 -0.501
253 HA CYS 37 HA CYS 37 -1.722 -1.805 1.035
254 1HB CYS 37 HB2 CYS 37 -3.054 -3.039 -0.588
255 2HB CYS 37 HB1 CYS 37 -2.454 -2.019 -1.869
256 H CYS 38 HN CYS 38 -0.091 -0.440 1.577
257 HA CYS 38 HA CYS 38 1.152 1.133 -0.573
258 1HB CYS 38 HB2 CYS 38 1.454 1.274 2.425
259 2HB CYS 38 HB1 CYS 38 2.280 2.278 1.260
260 H THR 39 HN THR 39 2.807 0.186 -1.591
261 HA THR 39 HA THR 39 4.417 -1.769 -0.087
262 HB THR 39 HB THR 39 4.604 -2.955 -2.300
263 HG1 THR 39 HG1 THR 39 2.368 -1.326 -3.017
264 1HG2 THR 39 HG21 THR 39 3.170 -3.870 -0.651
265 2HG2 THR 39 HG22 THR 39 2.282 -3.872 -2.165
266 3HG2 THR 39 HG23 THR 39 1.939 -2.649 -0.945
267 HA PRO 40 HA PRO 40 7.937 0.276 -2.016
268 1HB PRO 40 HB2 PRO 40 9.542 0.265 0.192
269 2HB PRO 40 HB1 PRO 40 8.353 1.498 -0.140
270 1HG PRO 40 HG2 PRO 40 8.290 -0.532 1.931
271 2HG PRO 40 HG1 PRO 40 7.318 0.919 1.759
272 1HD PRO 40 HD2 PRO 40 6.704 -1.827 1.021
273 2HD PRO 40 HD1 PRO 40 5.590 -0.496 1.185
274 H ALA 41 HN ALA 41 9.347 -1.618 0.516
275 HA ALA 41 HA ALA 41 9.497 -4.090 -0.897
276 1HB ALA 41 HB1 ALA 41 11.947 -4.163 -1.017
277 2HB ALA 41 HB2 ALA 41 12.032 -2.493 -0.449
278 3HB ALA 41 HB3 ALA 41 11.303 -2.857 -2.012
279 H ASP 42 HN ASP 42 8.464 -3.037 1.570
280 HA ASP 42 HA ASP 42 10.335 -3.661 3.664
281 1HB ASP 42 HB2 ASP 42 8.573 -1.793 3.658
282 2HB ASP 42 HB1 ASP 42 7.389 -3.046 4.011
Start of MODEL 10
1 1H GLY 1 HT1 GLY 1 0.897 -8.489 11.559
2 2H GLY 1 HT2 GLY 1 2.527 -8.231 11.923
3 3H GLY 1 HT3 GLY 1 2.103 -9.273 10.662
4 1HA GLY 1 HA1 GLY 1 1.644 -6.343 10.744
5 2HA GLY 1 HA2 GLY 1 2.891 -7.160 9.808
6 H THR 2 HN THR 2 0.407 -5.510 9.140
7 HA THR 2 HA THR 2 -1.207 -7.377 7.608
8 HB THR 2 HB THR 2 -2.302 -5.177 6.820
9 HG1 THR 2 HG1 THR 2 -0.927 -3.978 8.977
10 1HG2 THR 2 HG21 THR 2 -3.256 -6.577 8.589
11 2HG2 THR 2 HG22 THR 2 -3.499 -4.859 8.898
12 3HG2 THR 2 HG23 THR 2 -2.248 -5.741 9.773
13 H ALA 3 HN ALA 3 0.823 -8.104 6.483
14 HA ALA 3 HA ALA 3 2.062 -6.342 4.619
15 1HB ALA 3 HB1 ALA 3 3.249 -8.211 5.639
16 2HB ALA 3 HB2 ALA 3 3.292 -8.300 3.879
17 3HB ALA 3 HB3 ALA 3 2.199 -9.346 4.791
18 H CYS 4 HN CYS 4 1.882 -6.214 2.424
19 HA CYS 4 HA CYS 4 0.021 -7.953 1.000
20 1HB CYS 4 HB2 CYS 4 -1.210 -6.124 -0.010
21 2HB CYS 4 HB1 CYS 4 -1.378 -6.048 1.731
22 H SER 5 HN SER 5 0.114 -7.271 -1.448
23 HA SER 5 HA SER 5 2.789 -6.270 -2.136
24 1HB SER 5 HB2 SER 5 1.768 -8.978 -3.033
25 2HB SER 5 HB1 SER 5 3.305 -8.233 -3.477
26 HG SER 5 HG SER 5 3.688 -9.638 -1.793
27 H CYS 6 HN CYS 6 2.937 -5.319 -4.079
28 HA CYS 6 HA CYS 6 0.622 -5.448 -5.913
29 1HB CYS 6 HB2 CYS 6 2.371 -3.058 -5.299
30 2HB CYS 6 HB1 CYS 6 1.193 -3.130 -6.602
31 H GLY 7 HN GLY 7 1.790 -7.241 -6.867
32 1HA GLY 7 HA2 GLY 7 3.010 -8.065 -8.609
33 2HA GLY 7 HA1 GLY 7 3.379 -6.411 -9.078
34 H ASN 8 HN ASN 8 5.321 -5.515 -8.486
35 HA ASN 8 HA ASN 8 7.313 -7.381 -7.383
36 1HB ASN 8 HB2 ASN 8 7.841 -6.263 -9.499
37 2HB ASN 8 HB1 ASN 8 7.647 -4.690 -8.735
38 1HD2 ASN 8 HD21 ASN 8 9.310 -3.870 -7.490
39 2HD2 ASN 8 HD22 ASN 8 10.843 -4.653 -7.348
40 H SER 9 HN SER 9 5.512 -4.524 -6.570
41 HA SER 9 HA SER 9 7.331 -3.660 -4.521
42 1HB SER 9 HB2 SER 9 4.478 -2.811 -5.075
43 2HB SER 9 HB1 SER 9 5.645 -1.968 -4.057
44 HG SER 9 HG SER 9 5.633 -1.023 -6.083
45 H LYS 10 HN LYS 10 7.388 -4.339 -2.460
46 HA LYS 10 HA LYS 10 5.105 -5.937 -1.430
47 1HB LYS 10 HB2 LYS 10 8.027 -6.227 -0.697
48 2HB LYS 10 HB1 LYS 10 6.690 -7.258 -0.192
49 1HG LYS 10 HG2 LYS 10 6.398 -8.055 -2.454
50 2HG LYS 10 HG1 LYS 10 7.649 -6.951 -3.036
51 1HD LYS 10 HD2 LYS 10 9.274 -8.102 -1.534
52 2HD LYS 10 HD1 LYS 10 8.007 -9.263 -1.130
53 1HE LYS 10 HE2 LYS 10 9.059 -8.746 -3.913
54 2HE LYS 10 HE1 LYS 10 9.570 -10.068 -2.867
55 1HZ LYS 10 HZ1 LYS 10 6.833 -9.633 -3.934
56 2HZ LYS 10 HZ2 LYS 10 7.261 -10.864 -2.854
57 3HZ LYS 10 HZ3 LYS 10 7.923 -10.834 -4.409
58 H GLY 11 HN GLY 11 4.215 -5.233 0.463
59 1HA GLY 11 HA2 GLY 11 5.747 -3.755 2.397
60 2HA GLY 11 HA1 GLY 11 4.706 -2.721 1.448
61 H ILE 12 HN ILE 12 3.311 -2.092 2.979
62 HA ILE 12 HA ILE 12 1.772 -4.184 4.404
63 HB ILE 12 HB ILE 12 2.711 -1.495 5.444
64 1HG1 ILE 12 HG12 ILE 12 4.546 -3.105 5.324
65 2HG1 ILE 12 HG11 ILE 12 4.111 -2.783 6.996
66 1HG2 ILE 12 HG21 ILE 12 1.827 -2.322 7.625
67 2HG2 ILE 12 HG22 ILE 12 1.064 -3.644 6.757
68 3HG2 ILE 12 HG23 ILE 12 0.594 -1.985 6.420
69 1HD1 ILE 12 HD11 ILE 12 2.698 -4.946 6.814
70 2HD1 ILE 12 HD12 ILE 12 4.445 -5.066 6.931
71 3HD1 ILE 12 HD13 ILE 12 3.662 -5.243 5.373
72 H TYR 13 HN TYR 13 -0.442 -3.927 4.436
73 HA TYR 13 HA TYR 13 -1.470 -1.556 3.058
74 1HB TYR 13 HB2 TYR 13 -3.455 -2.692 2.570
75 2HB TYR 13 HB1 TYR 13 -2.204 -3.854 2.272
76 HD1 TYR 13 HD1 TYR 13 -1.900 -5.801 3.739
77 HD2 TYR 13 HD2 TYR 13 -5.058 -3.009 4.360
78 HE1 TYR 13 HE1 TYR 13 -3.035 -7.420 5.187
79 HE2 TYR 13 HE2 TYR 13 -6.180 -4.619 5.840
80 HH TYR 13 HH TYR 13 -5.085 -6.842 7.333
81 H TRP 14 HN TRP 14 -2.823 -0.157 3.992
82 HA TRP 14 HA TRP 14 -3.098 -0.362 6.926
83 1HB TRP 14 HB2 TRP 14 -2.968 2.032 5.072
84 2HB TRP 14 HB1 TRP 14 -3.262 2.130 6.807
85 HD1 TRP 14 HD1 TRP 14 -0.502 0.620 4.501
86 HE1 TRP 14 HE1 TRP 14 1.772 1.029 5.630
87 HE3 TRP 14 HE3 TRP 14 -2.119 2.958 8.747
88 HZ2 TRP 14 HZ2 TRP 14 2.755 2.195 8.012
89 HZ3 TRP 14 HZ3 TRP 14 -0.451 3.694 10.399
90 HH2 TRP 14 HH2 TRP 14 1.937 3.322 10.036
91 H PHE 15 HN PHE 15 -5.084 0.249 7.874
92 HA PHE 15 HA PHE 15 -7.323 -0.507 6.227
93 1HB PHE 15 HB2 PHE 15 -7.122 0.298 9.131
94 2HB PHE 15 HB1 PHE 15 -8.636 -0.163 8.359
95 HD1 PHE 15 HD1 PHE 15 -9.012 -2.457 7.605
96 HD2 PHE 15 HD2 PHE 15 -5.438 -1.356 9.648
97 HE1 PHE 15 HE1 PHE 15 -8.522 -4.826 8.023
98 HE2 PHE 15 HE2 PHE 15 -4.948 -3.724 10.069
99 HZ PHE 15 HZ PHE 15 -6.487 -5.466 9.255
100 H TYR 16 HN TYR 16 -7.521 1.094 4.716
101 HA TYR 16 HA TYR 16 -8.411 2.889 3.733
102 1HB TYR 16 HB2 TYR 16 -9.804 3.220 6.399
103 2HB TYR 16 HB1 TYR 16 -10.221 4.093 4.933
104 HD1 TYR 16 HD1 TYR 16 -10.783 1.112 6.823
105 HD2 TYR 16 HD2 TYR 16 -10.914 2.716 2.878
106 HE1 TYR 16 HE1 TYR 16 -12.286 -0.706 6.135
107 HE2 TYR 16 HE2 TYR 16 -12.415 0.904 2.187
108 HH TYR 16 HH TYR 16 -14.198 -0.761 3.885
109 H ARG 17 HN ARG 17 -6.033 3.525 3.986
110 HA ARG 17 HA ARG 17 -5.811 6.020 5.499
111 1HB ARG 17 HB2 ARG 17 -3.810 4.093 4.445
112 2HB ARG 17 HB1 ARG 17 -3.335 5.781 4.543
113 1HG ARG 17 HG2 ARG 17 -4.297 4.079 6.832
114 2HG ARG 17 HG1 ARG 17 -2.629 4.555 6.502
115 1HD ARG 17 HD2 ARG 17 -3.505 6.970 6.620
116 2HD ARG 17 HD1 ARG 17 -4.940 6.246 7.339
117 HE ARG 17 HE ARG 17 -2.315 5.697 8.533
118 1HH1 ARG 17 HH11 ARG 17 -5.460 7.274 8.780
119 2HH1 ARG 17 HH12 ARG 17 -5.241 7.670 10.437
120 1HH2 ARG 17 HH21 ARG 17 -2.057 6.262 10.718
121 2HH2 ARG 17 HH22 ARG 17 -3.323 7.108 11.545
122 HA PRO 18 HA PRO 18 -6.652 7.960 1.540
123 1HB PRO 18 HB2 PRO 18 -6.264 10.502 2.954
124 2HB PRO 18 HB1 PRO 18 -7.723 9.824 2.231
125 1HG PRO 18 HG2 PRO 18 -7.385 10.066 4.903
126 2HG PRO 18 HG1 PRO 18 -8.361 8.782 4.167
127 1HD PRO 18 HD2 PRO 18 -5.565 8.663 5.238
128 2HD PRO 18 HD1 PRO 18 -6.908 7.510 5.403
129 H SER 19 HN SER 19 -3.810 7.867 3.296
130 HA SER 19 HA SER 19 -2.242 8.685 1.057
131 1HB SER 19 HB2 SER 19 -2.659 10.869 2.142
132 2HB SER 19 HB1 SER 19 -2.023 10.240 3.660
133 HG SER 19 HG SER 19 -0.654 10.773 1.249
134 H CYS 20 HN CYS 20 -0.406 7.515 1.033
135 HA CYS 20 HA CYS 20 0.062 5.629 3.166
136 1HB CYS 20 HB2 CYS 20 1.432 6.124 0.531
137 2HB CYS 20 HB1 CYS 20 1.994 4.924 1.679
138 HA PRO 21 HA PRO 21 2.659 8.298 5.664
139 1HB PRO 21 HB2 PRO 21 3.948 5.624 6.122
140 2HB PRO 21 HB1 PRO 21 3.516 6.885 7.261
141 1HG PRO 21 HG2 PRO 21 1.980 4.740 6.967
142 2HG PRO 21 HG1 PRO 21 1.286 6.338 7.271
143 1HD PRO 21 HD2 PRO 21 1.308 4.727 4.782
144 2HD PRO 21 HD1 PRO 21 0.153 5.962 5.323
145 H THR 22 HN THR 22 3.943 9.515 4.424
146 HA THR 22 HA THR 22 5.571 8.444 2.358
147 HB THR 22 HB THR 22 4.428 10.647 2.207
148 HG1 THR 22 HG1 THR 22 6.034 11.557 1.036
149 1HG2 THR 22 HG21 THR 22 6.538 11.666 4.104
150 2HG2 THR 22 HG22 THR 22 4.872 11.338 4.577
151 3HG2 THR 22 HG23 THR 22 5.220 12.571 3.372
152 H ASP 23 HN ASP 23 6.134 8.580 5.607
153 HA ASP 23 HA ASP 23 8.900 9.334 5.605
154 1HB ASP 23 HB2 ASP 23 7.417 7.818 7.728
155 2HB ASP 23 HB1 ASP 23 8.853 8.802 7.934
156 H ARG 24 HN ARG 24 7.063 6.435 5.034
157 HA ARG 24 HA ARG 24 9.485 4.783 5.357
158 1HB ARG 24 HB2 ARG 24 6.570 4.228 5.577
159 2HB ARG 24 HB1 ARG 24 7.563 2.946 4.917
160 1HG ARG 24 HG2 ARG 24 7.413 2.534 7.207
161 2HG ARG 24 HG1 ARG 24 9.039 3.155 6.930
162 1HD ARG 24 HD2 ARG 24 8.286 4.246 8.858
163 2HD ARG 24 HD1 ARG 24 8.102 5.440 7.582
164 HE ARG 24 HE ARG 24 5.716 3.904 7.984
165 1HH1 ARG 24 HH11 ARG 24 7.570 6.587 9.291
166 2HH1 ARG 24 HH12 ARG 24 6.186 7.342 9.987
167 1HH2 ARG 24 HH21 ARG 24 3.918 4.882 8.976
168 2HH2 ARG 24 HH22 ARG 24 4.117 6.374 9.833
169 H GLY 25 HN GLY 25 8.637 6.608 3.047
170 1HA GLY 25 HA2 GLY 25 8.857 6.608 0.791
171 2HA GLY 25 HA1 GLY 25 10.093 5.421 1.149
172 H TYR 26 HN TYR 26 6.624 4.872 1.601
173 HA TYR 26 HA TYR 26 6.512 2.483 0.142
174 1HB TYR 26 HB2 TYR 26 4.283 4.491 0.563
175 2HB TYR 26 HB1 TYR 26 4.082 2.807 0.089
176 HD1 TYR 26 HD1 TYR 26 3.733 4.910 2.757
177 HD2 TYR 26 HD2 TYR 26 5.463 1.180 1.814
178 HE1 TYR 26 HE1 TYR 26 3.567 4.221 5.090
179 HE2 TYR 26 HE2 TYR 26 5.337 0.485 4.165
180 HH TYR 26 HH TYR 26 5.142 2.263 6.571
181 H THR 27 HN THR 27 6.390 2.053 -1.995
182 HA THR 27 HA THR 27 6.637 4.323 -3.819
183 HB THR 27 HB THR 27 7.036 1.365 -4.390
184 HG1 THR 27 HG1 THR 27 8.956 3.354 -3.616
185 1HG2 THR 27 HG21 THR 27 8.446 2.247 -6.231
186 2HG2 THR 27 HG22 THR 27 7.889 3.875 -5.848
187 3HG2 THR 27 HG23 THR 27 6.743 2.657 -6.411
188 H GLY 28 HN GLY 28 4.733 1.344 -3.471
189 1HA GLY 28 HA2 GLY 28 2.866 2.285 -5.545
190 2HA GLY 28 HA1 GLY 28 2.981 0.662 -4.884
191 H SER 29 HN SER 29 0.625 2.264 -5.141
192 HA SER 29 HA SER 29 -0.264 2.159 -2.349
193 1HB SER 29 HB2 SER 29 -0.691 4.580 -4.125
194 2HB SER 29 HB1 SER 29 -1.331 4.352 -2.495
195 HG SER 29 HG SER 29 0.678 5.613 -2.704
196 H CYS 30 HN CYS 30 -1.148 0.220 -3.268
197 HA CYS 30 HA CYS 30 -3.240 0.523 -5.294
198 1HB CYS 30 HB2 CYS 30 -2.462 -2.021 -3.867
199 2HB CYS 30 HB1 CYS 30 -3.209 -1.828 -5.444
200 H ARG 31 HN ARG 31 -5.446 0.248 -4.886
201 HA ARG 31 HA ARG 31 -6.232 0.414 -2.095
202 1HB ARG 31 HB2 ARG 31 -7.426 1.717 -3.808
203 2HB ARG 31 HB1 ARG 31 -7.987 0.230 -4.557
204 1HG ARG 31 HG2 ARG 31 -8.552 0.705 -1.647
205 2HG ARG 31 HG1 ARG 31 -9.484 1.577 -2.863
206 1HD ARG 31 HD2 ARG 31 -10.561 -0.250 -3.569
207 2HD ARG 31 HD1 ARG 31 -9.233 -1.323 -3.340
208 HE ARG 31 HE ARG 31 -9.732 -1.421 -0.981
209 1HH1 ARG 31 HH11 ARG 31 -12.217 -0.002 -3.029
210 2HH1 ARG 31 HH12 ARG 31 -13.495 -0.475 -1.986
211 1HH2 ARG 31 HH21 ARG 31 -11.458 -2.046 0.383
212 2HH2 ARG 31 HH22 ARG 31 -13.082 -1.625 -0.046
213 H TYR 32 HN TYR 32 -5.972 -1.396 -1.013
214 HA TYR 32 HA TYR 32 -6.528 -3.995 -2.220
215 1HB TYR 32 HB2 TYR 32 -4.531 -3.403 -0.720
216 2HB TYR 32 HB1 TYR 32 -5.642 -3.446 0.629
217 HD1 TYR 32 HD1 TYR 32 -4.017 -5.441 -2.017
218 HD2 TYR 32 HD2 TYR 32 -6.429 -5.575 1.488
219 HE1 TYR 32 HE1 TYR 32 -3.676 -7.867 -1.876
220 HE2 TYR 32 HE2 TYR 32 -6.101 -8.003 1.631
221 HH TYR 32 HH TYR 32 -3.927 -9.627 0.534
222 H PHE 33 HN PHE 33 -7.941 -5.500 -1.134
223 HA PHE 33 HA PHE 33 -10.514 -4.743 -0.862
224 1HB PHE 33 HB2 PHE 33 -9.290 -6.937 0.814
225 2HB PHE 33 HB1 PHE 33 -10.972 -6.807 0.333
226 HD1 PHE 33 HD1 PHE 33 -11.438 -6.798 -2.223
227 HD2 PHE 33 HD2 PHE 33 -7.825 -8.191 -0.459
228 HE1 PHE 33 HE1 PHE 33 -10.960 -8.120 -4.239
229 HE2 PHE 33 HE2 PHE 33 -7.335 -9.505 -2.471
230 HZ PHE 33 HZ PHE 33 -8.907 -9.474 -4.367
231 H LEU 34 HN LEU 34 -8.228 -4.902 1.860
232 HA LEU 34 HA LEU 34 -10.288 -3.989 3.690
233 1HB LEU 34 HB2 LEU 34 -7.416 -4.695 4.156
234 2HB LEU 34 HB1 LEU 34 -8.547 -4.296 5.428
235 HG LEU 34 HG LEU 34 -8.504 -6.597 5.532
236 1HD1 LEU 34 HD11 LEU 34 -10.606 -7.408 4.771
237 2HD1 LEU 34 HD12 LEU 34 -10.717 -6.164 3.530
238 3HD1 LEU 34 HD13 LEU 34 -10.814 -5.723 5.237
239 1HD2 LEU 34 HD21 LEU 34 -8.612 -6.874 2.543
240 2HD2 LEU 34 HD22 LEU 34 -8.289 -8.115 3.733
241 3HD2 LEU 34 HD23 LEU 34 -7.109 -6.838 3.452
242 H GLY 35 HN GLY 35 -7.786 -2.484 1.839
243 1HA GLY 35 HA2 GLY 35 -8.579 0.077 2.506
244 2HA GLY 35 HA1 GLY 35 -7.317 -0.343 3.639
245 H THR 36 HN THR 36 -5.525 0.684 3.054
246 HA THR 36 HA THR 36 -4.955 1.003 0.185
247 HB THR 36 HB THR 36 -3.643 2.557 2.430
248 HG1 THR 36 HG1 THR 36 -6.143 3.155 1.156
249 1HG2 THR 36 HG21 THR 36 -2.692 2.746 0.173
250 2HG2 THR 36 HG22 THR 36 -3.439 4.256 0.692
251 3HG2 THR 36 HG23 THR 36 -4.275 3.210 -0.454
252 H CYS 37 HN CYS 37 -3.608 -0.515 -0.520
253 HA CYS 37 HA CYS 37 -1.627 -1.743 1.162
254 1HB CYS 37 HB2 CYS 37 -2.787 -3.086 -0.474
255 2HB CYS 37 HB1 CYS 37 -2.207 -2.063 -1.772
256 H CYS 38 HN CYS 38 -0.091 -0.304 1.746
257 HA CYS 38 HA CYS 38 1.173 1.367 -0.300
258 1HB CYS 38 HB2 CYS 38 1.650 1.294 2.688
259 2HB CYS 38 HB1 CYS 38 2.204 2.506 1.544
260 H THR 39 HN THR 39 2.680 0.307 -1.440
261 HA THR 39 HA THR 39 4.362 -1.650 -0.040
262 HB THR 39 HB THR 39 4.549 -2.639 -2.400
263 HG1 THR 39 HG1 THR 39 2.099 -1.234 -2.786
264 1HG2 THR 39 HG21 THR 39 2.263 -2.783 -0.518
265 2HG2 THR 39 HG22 THR 39 3.384 -4.025 -1.064
266 3HG2 THR 39 HG23 THR 39 2.085 -3.518 -2.111
267 HA PRO 40 HA PRO 40 7.858 0.533 -1.859
268 1HB PRO 40 HB2 PRO 40 9.562 0.114 0.249
269 2HB PRO 40 HB1 PRO 40 8.451 1.457 0.125
270 1HG PRO 40 HG2 PRO 40 8.326 -0.810 1.928
271 2HG PRO 40 HG1 PRO 40 7.431 0.704 1.972
272 1HD PRO 40 HD2 PRO 40 6.626 -1.893 0.959
273 2HD PRO 40 HD1 PRO 40 5.607 -0.511 1.296
274 H ALA 41 HN ALA 41 9.391 -1.744 0.250
275 HA ALA 41 HA ALA 41 9.311 -4.009 -1.439
276 1HB ALA 41 HB1 ALA 41 11.917 -2.472 -1.348
277 2HB ALA 41 HB2 ALA 41 10.883 -2.666 -2.763
278 3HB ALA 41 HB3 ALA 41 11.679 -4.071 -2.057
279 H ASP 42 HN ASP 42 8.584 -3.740 1.133
280 HA ASP 42 HA ASP 42 10.801 -4.983 2.648
281 1HB ASP 42 HB2 ASP 42 10.299 -2.552 3.225
282 2HB ASP 42 HB1 ASP 42 8.747 -3.108 3.846
Start of MODEL 11
1 1H GLY 1 HT1 GLY 1 1.976 -9.823 10.311
2 2H GLY 1 HT2 GLY 1 3.317 -8.999 10.929
3 3H GLY 1 HT3 GLY 1 3.188 -9.268 9.265
4 1HA GLY 1 HA1 GLY 1 1.399 -7.550 10.899
5 2HA GLY 1 HA2 GLY 1 2.657 -6.974 9.814
6 H THR 2 HN THR 2 0.435 -5.885 9.190
7 HA THR 2 HA THR 2 -1.227 -7.491 7.444
8 HB THR 2 HB THR 2 -2.239 -5.178 6.900
9 HG1 THR 2 HG1 THR 2 -0.091 -4.301 8.149
10 1HG2 THR 2 HG21 THR 2 -3.262 -6.710 8.499
11 2HG2 THR 2 HG22 THR 2 -3.420 -5.030 9.011
12 3HG2 THR 2 HG23 THR 2 -2.214 -6.071 9.767
13 H ALA 3 HN ALA 3 0.762 -8.164 6.243
14 HA ALA 3 HA ALA 3 1.985 -6.235 4.518
15 1HB ALA 3 HB1 ALA 3 3.256 -8.085 5.468
16 2HB ALA 3 HB2 ALA 3 3.314 -8.097 3.707
17 3HB ALA 3 HB3 ALA 3 2.267 -9.231 4.564
18 H CYS 4 HN CYS 4 1.950 -6.191 2.280
19 HA CYS 4 HA CYS 4 0.110 -7.884 0.809
20 1HB CYS 4 HB2 CYS 4 -1.075 -5.985 -0.232
21 2HB CYS 4 HB1 CYS 4 -1.380 -6.079 1.494
22 H SER 5 HN SER 5 0.247 -7.069 -1.646
23 HA SER 5 HA SER 5 2.911 -6.004 -2.227
24 1HB SER 5 HB2 SER 5 2.029 -8.750 -3.160
25 2HB SER 5 HB1 SER 5 3.521 -7.927 -3.626
26 HG SER 5 HG SER 5 2.792 -8.996 -1.118
27 H CYS 6 HN CYS 6 3.124 -5.107 -4.214
28 HA CYS 6 HA CYS 6 0.790 -5.218 -6.031
29 1HB CYS 6 HB2 CYS 6 2.534 -2.833 -5.404
30 2HB CYS 6 HB1 CYS 6 1.361 -2.894 -6.697
31 H GLY 7 HN GLY 7 1.670 -6.808 -7.317
32 1HA GLY 7 HA2 GLY 7 2.839 -7.560 -9.126
33 2HA GLY 7 HA1 GLY 7 3.526 -5.950 -9.306
34 H ASN 8 HN ASN 8 5.538 -5.508 -8.443
35 HA ASN 8 HA ASN 8 7.030 -7.864 -7.453
36 1HB ASN 8 HB2 ASN 8 7.937 -5.299 -8.764
37 2HB ASN 8 HB1 ASN 8 9.051 -6.430 -8.002
38 1HD2 ASN 8 HD21 ASN 8 10.131 -6.895 -9.880
39 2HD2 ASN 8 HD22 ASN 8 9.413 -7.809 -11.158
40 H SER 9 HN SER 9 5.792 -4.767 -6.530
41 HA SER 9 HA SER 9 7.724 -4.350 -4.443
42 1HB SER 9 HB2 SER 9 6.312 -2.377 -3.894
43 2HB SER 9 HB1 SER 9 6.781 -2.439 -5.591
44 HG SER 9 HG SER 9 4.268 -3.182 -4.500
45 H LYS 10 HN LYS 10 7.410 -4.494 -2.227
46 HA LYS 10 HA LYS 10 4.961 -5.901 -1.305
47 1HB LYS 10 HB2 LYS 10 7.777 -6.295 -0.333
48 2HB LYS 10 HB1 LYS 10 6.355 -7.065 0.355
49 1HG LYS 10 HG2 LYS 10 5.989 -8.236 -1.785
50 2HG LYS 10 HG1 LYS 10 7.483 -7.522 -2.406
51 1HD LYS 10 HD2 LYS 10 7.227 -9.330 0.003
52 2HD LYS 10 HD1 LYS 10 7.891 -9.775 -1.572
53 1HE LYS 10 HE2 LYS 10 9.812 -8.587 -1.265
54 2HE LYS 10 HE1 LYS 10 9.117 -7.442 -0.142
55 1HZ LYS 10 HZ1 LYS 10 10.615 -8.894 0.976
56 2HZ LYS 10 HZ2 LYS 10 9.773 -10.261 0.448
57 3HZ LYS 10 HZ3 LYS 10 9.044 -9.184 1.532
58 H GLY 11 HN GLY 11 4.173 -5.270 0.730
59 1HA GLY 11 HA2 GLY 11 5.620 -3.578 2.484
60 2HA GLY 11 HA1 GLY 11 4.573 -2.612 1.478
61 H ILE 12 HN ILE 12 3.340 -1.925 3.192
62 HA ILE 12 HA ILE 12 1.696 -3.990 4.532
63 HB ILE 12 HB ILE 12 2.703 -1.357 5.652
64 1HG1 ILE 12 HG12 ILE 12 4.498 -3.013 5.503
65 2HG1 ILE 12 HG11 ILE 12 4.052 -2.735 7.181
66 1HG2 ILE 12 HG21 ILE 12 1.776 -2.271 7.809
67 2HG2 ILE 12 HG22 ILE 12 0.970 -3.495 6.843
68 3HG2 ILE 12 HG23 ILE 12 0.575 -1.801 6.611
69 1HD1 ILE 12 HD11 ILE 12 2.668 -4.828 7.059
70 2HD1 ILE 12 HD12 ILE 12 4.404 -5.055 6.891
71 3HD1 ILE 12 HD13 ILE 12 3.375 -5.099 5.470
72 H TYR 13 HN TYR 13 -0.505 -3.652 4.562
73 HA TYR 13 HA TYR 13 -1.424 -1.232 3.177
74 1HB TYR 13 HB2 TYR 13 -3.403 -2.324 2.592
75 2HB TYR 13 HB1 TYR 13 -2.168 -3.517 2.352
76 HD1 TYR 13 HD1 TYR 13 -1.927 -5.429 3.931
77 HD2 TYR 13 HD2 TYR 13 -5.153 -2.655 4.199
78 HE1 TYR 13 HE1 TYR 13 -3.175 -7.017 5.327
79 HE2 TYR 13 HE2 TYR 13 -6.370 -4.228 5.626
80 HH TYR 13 HH TYR 13 -5.402 -6.422 7.256
81 H TRP 14 HN TRP 14 -2.809 0.163 4.057
82 HA TRP 14 HA TRP 14 -3.161 0.010 6.981
83 1HB TRP 14 HB2 TRP 14 -3.244 2.397 5.103
84 2HB TRP 14 HB1 TRP 14 -3.421 2.431 6.851
85 HD1 TRP 14 HD1 TRP 14 -0.723 1.319 4.290
86 HE1 TRP 14 HE1 TRP 14 1.588 1.883 5.273
87 HE3 TRP 14 HE3 TRP 14 -2.195 3.159 8.826
88 HZ2 TRP 14 HZ2 TRP 14 2.645 2.959 7.653
89 HZ3 TRP 14 HZ3 TRP 14 -0.470 3.934 10.398
90 HH2 TRP 14 HH2 TRP 14 1.901 3.835 9.823
91 H PHE 15 HN PHE 15 -5.220 0.577 7.856
92 HA PHE 15 HA PHE 15 -7.359 -0.407 6.200
93 1HB PHE 15 HB2 PHE 15 -7.240 0.520 9.067
94 2HB PHE 15 HB1 PHE 15 -8.743 0.011 8.302
95 HD1 PHE 15 HD1 PHE 15 -5.432 -1.102 9.463
96 HD2 PHE 15 HD2 PHE 15 -9.171 -2.292 7.799
97 HE1 PHE 15 HE1 PHE 15 -4.900 -3.450 9.948
98 HE2 PHE 15 HE2 PHE 15 -8.642 -4.641 8.289
99 HZ PHE 15 HZ PHE 15 -6.504 -5.226 9.362
100 H TYR 16 HN TYR 16 -7.760 1.048 4.622
101 HA TYR 16 HA TYR 16 -8.687 2.762 3.525
102 1HB TYR 16 HB2 TYR 16 -10.126 3.110 6.161
103 2HB TYR 16 HB1 TYR 16 -10.569 3.930 4.669
104 HD1 TYR 16 HD1 TYR 16 -10.986 2.368 2.601
105 HD2 TYR 16 HD2 TYR 16 -11.183 1.086 6.658
106 HE1 TYR 16 HE1 TYR 16 -12.398 0.491 1.947
107 HE2 TYR 16 HE2 TYR 16 -12.588 -0.814 5.993
108 HH TYR 16 HH TYR 16 -14.296 -1.087 3.624
109 H ARG 17 HN ARG 17 -6.513 3.691 3.530
110 HA ARG 17 HA ARG 17 -6.608 6.381 4.717
111 1HB ARG 17 HB2 ARG 17 -4.227 4.531 4.843
112 2HB ARG 17 HB1 ARG 17 -4.172 6.256 5.197
113 1HG ARG 17 HG2 ARG 17 -5.811 5.882 7.022
114 2HG ARG 17 HG1 ARG 17 -5.715 4.149 6.703
115 1HD ARG 17 HD2 ARG 17 -3.335 4.190 7.215
116 2HD ARG 17 HD1 ARG 17 -3.402 5.908 7.437
117 HE ARG 17 HE ARG 17 -4.880 4.009 9.158
118 1HH1 ARG 17 HH11 ARG 17 -2.804 6.826 8.769
119 2HH1 ARG 17 HH12 ARG 17 -2.759 7.156 10.452
120 1HH2 ARG 17 HH21 ARG 17 -4.805 4.491 11.399
121 2HH2 ARG 17 HH22 ARG 17 -3.881 5.849 11.950
122 HA PRO 18 HA PRO 18 -6.023 6.317 0.112
123 1HB PRO 18 HB2 PRO 18 -7.231 9.017 0.485
124 2HB PRO 18 HB1 PRO 18 -7.653 7.726 -0.646
125 1HG PRO 18 HG2 PRO 18 -9.184 8.259 1.466
126 2HG PRO 18 HG1 PRO 18 -8.923 6.591 0.920
127 1HD PRO 18 HD2 PRO 18 -7.685 8.050 3.220
128 2HD PRO 18 HD1 PRO 18 -8.262 6.372 3.119
129 H SER 19 HN SER 19 -4.971 8.451 2.644
130 HA SER 19 HA SER 19 -2.894 9.567 0.876
131 1HB SER 19 HB2 SER 19 -3.920 10.692 3.498
132 2HB SER 19 HB1 SER 19 -2.760 11.438 2.396
133 HG SER 19 HG SER 19 -4.781 12.325 2.020
134 H CYS 20 HN CYS 20 -1.577 7.768 1.091
135 HA CYS 20 HA CYS 20 -0.968 6.641 3.624
136 1HB CYS 20 HB2 CYS 20 -1.031 5.359 1.542
137 2HB CYS 20 HB1 CYS 20 0.378 6.228 0.957
138 HA PRO 21 HA PRO 21 2.481 9.352 4.664
139 1HB PRO 21 HB2 PRO 21 3.345 7.257 6.548
140 2HB PRO 21 HB1 PRO 21 2.736 8.878 6.861
141 1HG PRO 21 HG2 PRO 21 1.333 6.631 7.415
142 2HG PRO 21 HG1 PRO 21 0.572 8.181 7.014
143 1HD PRO 21 HD2 PRO 21 0.995 5.772 5.300
144 2HD PRO 21 HD1 PRO 21 -0.397 6.868 5.410
145 H THR 22 HN THR 22 3.553 9.066 2.670
146 HA THR 22 HA THR 22 4.907 6.662 2.010
147 HB THR 22 HB THR 22 3.888 8.142 0.317
148 HG1 THR 22 HG1 THR 22 5.408 6.809 -0.542
149 1HG2 THR 22 HG21 THR 22 4.903 10.199 -0.332
150 2HG2 THR 22 HG22 THR 22 6.226 9.982 0.806
151 3HG2 THR 22 HG23 THR 22 4.596 10.295 1.398
152 H ASP 23 HN ASP 23 5.831 8.516 4.374
153 HA ASP 23 HA ASP 23 8.491 9.269 3.700
154 1HB ASP 23 HB2 ASP 23 7.228 8.938 6.419
155 2HB ASP 23 HB1 ASP 23 8.702 9.819 6.065
156 H ARG 24 HN ARG 24 7.057 6.309 4.353
157 HA ARG 24 HA ARG 24 9.365 5.126 5.663
158 1HB ARG 24 HB2 ARG 24 6.688 4.072 4.795
159 2HB ARG 24 HB1 ARG 24 7.953 3.007 5.358
160 1HG ARG 24 HG2 ARG 24 6.435 3.444 7.148
161 2HG ARG 24 HG1 ARG 24 7.987 4.203 7.500
162 1HD ARG 24 HD2 ARG 24 7.142 6.339 6.891
163 2HD ARG 24 HD1 ARG 24 5.626 5.659 6.322
164 HE ARG 24 HE ARG 24 5.392 4.899 8.760
165 1HH1 ARG 24 HH11 ARG 24 6.948 7.893 7.795
166 2HH1 ARG 24 HH12 ARG 24 6.471 8.733 9.207
167 1HH2 ARG 24 HH21 ARG 24 4.800 6.037 10.647
168 2HH2 ARG 24 HH22 ARG 24 5.267 7.695 10.831
169 H GLY 25 HN GLY 25 8.807 6.157 2.628
170 1HA GLY 25 HA2 GLY 25 10.086 5.766 0.772
171 2HA GLY 25 HA1 GLY 25 10.698 4.286 1.496
172 H TYR 26 HN TYR 26 7.260 4.978 1.376
173 HA TYR 26 HA TYR 26 6.697 2.517 0.112
174 1HB TYR 26 HB2 TYR 26 4.982 4.957 0.594
175 2HB TYR 26 HB1 TYR 26 4.352 3.463 -0.089
176 HD1 TYR 26 HD1 TYR 26 5.356 1.343 1.411
177 HD2 TYR 26 HD2 TYR 26 4.322 5.187 2.802
178 HE1 TYR 26 HE1 TYR 26 4.958 0.402 3.649
179 HE2 TYR 26 HE2 TYR 26 3.925 4.293 5.045
180 HH TYR 26 HH TYR 26 5.007 1.766 6.232
181 H THR 27 HN THR 27 6.453 1.968 -1.965
182 HA THR 27 HA THR 27 7.053 4.000 -3.981
183 HB THR 27 HB THR 27 6.897 0.983 -4.309
184 HG1 THR 27 HG1 THR 27 9.171 2.646 -3.770
185 1HG2 THR 27 HG21 THR 27 8.353 1.444 -6.259
186 2HG2 THR 27 HG22 THR 27 8.107 3.170 -6.005
187 3HG2 THR 27 HG23 THR 27 6.741 2.134 -6.423
188 H GLY 28 HN GLY 28 4.694 1.374 -3.415
189 1HA GLY 28 HA2 GLY 28 2.909 2.666 -5.397
190 2HA GLY 28 HA1 GLY 28 2.934 0.959 -4.995
191 H SER 29 HN SER 29 0.645 2.509 -5.010
192 HA SER 29 HA SER 29 -0.237 2.116 -2.252
193 1HB SER 29 HB2 SER 29 -0.780 4.663 -3.790
194 2HB SER 29 HB1 SER 29 -1.441 4.244 -2.207
195 HG SER 29 HG SER 29 0.551 4.452 -1.312
196 H CYS 30 HN CYS 30 -1.130 0.242 -3.214
197 HA CYS 30 HA CYS 30 -3.146 0.570 -5.312
198 1HB CYS 30 HB2 CYS 30 -2.291 -1.971 -3.914
199 2HB CYS 30 HB1 CYS 30 -3.099 -1.807 -5.467
200 H ARG 31 HN ARG 31 -5.287 -0.395 -5.062
201 HA ARG 31 HA ARG 31 -6.393 0.107 -2.424
202 1HB ARG 31 HB2 ARG 31 -7.758 0.815 -4.254
203 2HB ARG 31 HB1 ARG 31 -7.651 -0.761 -5.026
204 1HG ARG 31 HG2 ARG 31 -9.817 -0.489 -4.019
205 2HG ARG 31 HG1 ARG 31 -8.943 -1.751 -3.166
206 1HD ARG 31 HD2 ARG 31 -8.253 0.242 -1.576
207 2HD ARG 31 HD1 ARG 31 -9.649 1.008 -2.299
208 HE ARG 31 HE ARG 31 -9.704 -1.567 -0.843
209 1HH1 ARG 31 HH11 ARG 31 -11.214 1.510 -1.635
210 2HH1 ARG 31 HH12 ARG 31 -12.583 1.206 -0.644
211 1HH2 ARG 31 HH21 ARG 31 -11.517 -1.927 0.479
212 2HH2 ARG 31 HH22 ARG 31 -12.797 -0.763 0.512
213 H TYR 32 HN TYR 32 -6.480 -1.393 -0.901
214 HA TYR 32 HA TYR 32 -6.392 -4.248 -1.674
215 1HB TYR 32 HB2 TYR 32 -4.562 -3.304 -0.192
216 2HB TYR 32 HB1 TYR 32 -5.773 -3.052 1.046
217 HD1 TYR 32 HD1 TYR 32 -3.859 -5.555 -0.844
218 HD2 TYR 32 HD2 TYR 32 -6.687 -4.948 2.269
219 HE1 TYR 32 HE1 TYR 32 -3.531 -7.871 -0.096
220 HE2 TYR 32 HE2 TYR 32 -6.366 -7.268 3.003
221 HH TYR 32 HH TYR 32 -5.370 -9.577 1.469
222 H PHE 33 HN PHE 33 -7.832 -5.643 -0.522
223 HA PHE 33 HA PHE 33 -10.456 -4.909 -0.535
224 1HB PHE 33 HB2 PHE 33 -9.274 -6.992 1.308
225 2HB PHE 33 HB1 PHE 33 -10.948 -6.912 0.781
226 HD1 PHE 33 HD1 PHE 33 -11.496 -7.333 -1.617
227 HD2 PHE 33 HD2 PHE 33 -7.583 -7.960 -0.044
228 HE1 PHE 33 HE1 PHE 33 -10.928 -8.709 -3.572
229 HE2 PHE 33 HE2 PHE 33 -7.017 -9.337 -1.999
230 HZ PHE 33 HZ PHE 33 -8.690 -9.712 -3.768
231 H LEU 34 HN LEU 34 -8.362 -4.889 2.334
232 HA LEU 34 HA LEU 34 -10.496 -3.759 3.937
233 1HB LEU 34 HB2 LEU 34 -7.741 -4.649 4.656
234 2HB LEU 34 HB1 LEU 34 -8.873 -4.028 5.826
235 HG LEU 34 HG LEU 34 -9.041 -6.316 6.116
236 1HD1 LEU 34 HD11 LEU 34 -11.189 -6.960 5.363
237 2HD1 LEU 34 HD12 LEU 34 -11.131 -5.852 3.996
238 3HD1 LEU 34 HD13 LEU 34 -11.236 -5.223 5.644
239 1HD2 LEU 34 HD21 LEU 34 -8.960 -6.715 3.135
240 2HD2 LEU 34 HD22 LEU 34 -9.060 -7.973 4.344
241 3HD2 LEU 34 HD23 LEU 34 -7.631 -6.963 4.245
242 H GLY 35 HN GLY 35 -8.147 -2.407 1.969
243 1HA GLY 35 HA2 GLY 35 -8.741 0.171 2.635
244 2HA GLY 35 HA1 GLY 35 -7.427 -0.262 3.702
245 H THR 36 HN THR 36 -5.686 0.744 3.009
246 HA THR 36 HA THR 36 -5.201 0.879 0.102
247 HB THR 36 HB THR 36 -4.053 2.752 2.196
248 HG1 THR 36 HG1 THR 36 -6.530 3.031 0.769
249 1HG2 THR 36 HG21 THR 36 -3.010 2.775 -0.027
250 2HG2 THR 36 HG22 THR 36 -3.882 4.273 0.293
251 3HG2 THR 36 HG23 THR 36 -4.589 3.053 -0.765
252 H CYS 37 HN CYS 37 -3.623 -0.387 -0.580
253 HA CYS 37 HA CYS 37 -1.686 -1.495 1.250
254 1HB CYS 37 HB2 CYS 37 -2.713 -2.999 -0.277
255 2HB CYS 37 HB1 CYS 37 -2.275 -1.995 -1.648
256 H CYS 38 HN CYS 38 0.094 -0.383 1.731
257 HA CYS 38 HA CYS 38 1.293 1.346 -0.330
258 1HB CYS 38 HB2 CYS 38 1.816 1.254 2.644
259 2HB CYS 38 HB1 CYS 38 2.442 2.421 1.488
260 H THR 39 HN THR 39 2.818 0.314 -1.494
261 HA THR 39 HA THR 39 4.460 -1.695 -0.114
262 HB THR 39 HB THR 39 4.715 -2.736 -2.390
263 HG1 THR 39 HG1 THR 39 2.475 -1.087 -3.062
264 1HG2 THR 39 HG21 THR 39 2.285 -2.674 -0.725
265 2HG2 THR 39 HG22 THR 39 3.300 -4.021 -1.225
266 3HG2 THR 39 HG23 THR 39 2.111 -3.363 -2.338
267 HA PRO 40 HA PRO 40 8.022 0.432 -1.811
268 1HB PRO 40 HB2 PRO 40 9.650 -0.071 0.358
269 2HB PRO 40 HB1 PRO 40 8.647 1.331 0.157
270 1HG PRO 40 HG2 PRO 40 8.300 -0.821 2.033
271 2HG PRO 40 HG1 PRO 40 7.491 0.748 1.965
272 1HD PRO 40 HD2 PRO 40 6.579 -1.841 1.047
273 2HD PRO 40 HD1 PRO 40 5.634 -0.397 1.278
274 H ALA 41 HN ALA 41 9.439 -1.894 0.342
275 HA ALA 41 HA ALA 41 9.314 -4.110 -1.476
276 1HB ALA 41 HB1 ALA 41 11.724 -4.310 -1.789
277 2HB ALA 41 HB2 ALA 41 11.974 -2.787 -0.931
278 3HB ALA 41 HB3 ALA 41 11.126 -2.800 -2.476
279 H ASP 42 HN ASP 42 8.366 -3.705 1.111
280 HA ASP 42 HA ASP 42 10.310 -4.685 3.010
281 1HB ASP 42 HB2 ASP 42 8.483 -2.961 3.470
282 2HB ASP 42 HB1 ASP 42 7.342 -4.299 3.481
Start of MODEL 12
1 1H GLY 1 HT1 GLY 1 2.769 -7.955 11.079
2 2H GLY 1 HT2 GLY 1 3.938 -6.753 11.294
3 3H GLY 1 HT3 GLY 1 3.884 -7.626 9.847
4 1HA GLY 1 HA1 GLY 1 1.803 -5.755 10.836
5 2HA GLY 1 HA2 GLY 1 2.960 -5.413 9.559
6 H THR 2 HN THR 2 0.492 -5.030 8.827
7 HA THR 2 HA THR 2 -0.666 -7.433 7.654
8 HB THR 2 HB THR 2 -2.157 -5.521 6.586
9 HG1 THR 2 HG1 THR 2 -2.062 -3.604 7.611
10 1HG2 THR 2 HG21 THR 2 -2.783 -7.202 8.367
11 2HG2 THR 2 HG22 THR 2 -3.643 -5.670 8.387
12 3HG2 THR 2 HG23 THR 2 -2.342 -5.955 9.536
13 H ALA 3 HN ALA 3 1.093 -8.070 6.347
14 HA ALA 3 HA ALA 3 2.114 -6.279 4.358
15 1HB ALA 3 HB1 ALA 3 3.556 -7.896 5.468
16 2HB ALA 3 HB2 ALA 3 3.562 -8.121 3.719
17 3HB ALA 3 HB3 ALA 3 2.634 -9.216 4.749
18 H CYS 4 HN CYS 4 1.794 -6.279 2.197
19 HA CYS 4 HA CYS 4 0.158 -8.360 0.960
20 1HB CYS 4 HB2 CYS 4 -1.307 -6.757 -0.142
21 2HB CYS 4 HB1 CYS 4 -1.466 -6.621 1.605
22 H SER 5 HN SER 5 0.269 -8.178 -1.456
23 HA SER 5 HA SER 5 2.831 -6.924 -2.242
24 1HB SER 5 HB2 SER 5 1.798 -9.616 -3.132
25 2HB SER 5 HB1 SER 5 3.335 -8.868 -3.575
26 HG SER 5 HG SER 5 4.069 -9.151 -1.529
27 H CYS 6 HN CYS 6 2.837 -5.755 -3.991
28 HA CYS 6 HA CYS 6 0.591 -5.934 -5.909
29 1HB CYS 6 HB2 CYS 6 2.266 -3.521 -5.175
30 2HB CYS 6 HB1 CYS 6 1.060 -3.568 -6.456
31 H GLY 7 HN GLY 7 1.731 -7.558 -7.068
32 1HA GLY 7 HA2 GLY 7 3.122 -8.311 -8.702
33 2HA GLY 7 HA1 GLY 7 3.390 -6.629 -9.135
34 H ASN 8 HN ASN 8 5.322 -5.716 -8.663
35 HA ASN 8 HA ASN 8 7.369 -7.455 -7.500
36 1HB ASN 8 HB2 ASN 8 7.950 -6.432 -9.585
37 2HB ASN 8 HB1 ASN 8 7.497 -4.835 -9.001
38 1HD2 ASN 8 HD21 ASN 8 8.947 -3.663 -7.789
39 2HD2 ASN 8 HD22 ASN 8 10.565 -4.193 -7.494
40 H SER 9 HN SER 9 5.525 -4.591 -6.723
41 HA SER 9 HA SER 9 7.333 -3.807 -4.598
42 1HB SER 9 HB2 SER 9 5.500 -2.066 -4.193
43 2HB SER 9 HB1 SER 9 6.351 -2.005 -5.724
44 HG SER 9 HG SER 9 3.991 -1.844 -5.824
45 H LYS 10 HN LYS 10 7.217 -4.487 -2.553
46 HA LYS 10 HA LYS 10 4.725 -5.807 -1.625
47 1HB LYS 10 HB2 LYS 10 7.565 -6.523 -0.860
48 2HB LYS 10 HB1 LYS 10 6.089 -7.360 -0.381
49 1HG LYS 10 HG2 LYS 10 5.709 -8.084 -2.644
50 2HG LYS 10 HG1 LYS 10 7.091 -7.143 -3.215
51 1HD LYS 10 HD2 LYS 10 8.548 -8.523 -1.717
52 2HD LYS 10 HD1 LYS 10 7.137 -9.527 -1.368
53 1HE LYS 10 HE2 LYS 10 8.335 -9.059 -4.100
54 2HE LYS 10 HE1 LYS 10 8.563 -10.499 -3.110
55 1HZ LYS 10 HZ1 LYS 10 6.011 -9.540 -4.283
56 2HZ LYS 10 HZ2 LYS 10 6.128 -10.838 -3.203
57 3HZ LYS 10 HZ3 LYS 10 6.878 -10.924 -4.715
58 H GLY 11 HN GLY 11 3.951 -5.154 0.340
59 1HA GLY 11 HA2 GLY 11 5.630 -3.840 2.285
60 2HA GLY 11 HA1 GLY 11 4.627 -2.728 1.386
61 H ILE 12 HN ILE 12 3.410 -2.055 3.075
62 HA ILE 12 HA ILE 12 1.763 -4.099 4.432
63 HB ILE 12 HB ILE 12 2.744 -1.436 5.485
64 1HG1 ILE 12 HG12 ILE 12 4.548 -3.095 5.343
65 2HG1 ILE 12 HG11 ILE 12 4.132 -2.754 7.017
66 1HG2 ILE 12 HG21 ILE 12 1.847 -2.285 7.665
67 2HG2 ILE 12 HG22 ILE 12 1.051 -3.573 6.769
68 3HG2 ILE 12 HG23 ILE 12 0.623 -1.893 6.466
69 1HD1 ILE 12 HD11 ILE 12 2.766 -4.853 7.019
70 2HD1 ILE 12 HD12 ILE 12 4.494 -5.087 6.792
71 3HD1 ILE 12 HD13 ILE 12 3.411 -5.183 5.415
72 H TYR 13 HN TYR 13 -0.439 -3.819 4.445
73 HA TYR 13 HA TYR 13 -1.414 -1.378 3.145
74 1HB TYR 13 HB2 TYR 13 -3.271 -2.501 2.339
75 2HB TYR 13 HB1 TYR 13 -2.000 -3.657 2.221
76 HD1 TYR 13 HD1 TYR 13 -1.810 -5.555 3.866
77 HD2 TYR 13 HD2 TYR 13 -5.199 -2.980 3.629
78 HE1 TYR 13 HE1 TYR 13 -3.158 -7.225 5.059
79 HE2 TYR 13 HE2 TYR 13 -6.533 -4.642 4.836
80 HH TYR 13 HH TYR 13 -6.543 -6.620 5.944
81 H TRP 14 HN TRP 14 -2.882 -0.090 4.079
82 HA TRP 14 HA TRP 14 -3.256 -0.499 6.980
83 1HB TRP 14 HB2 TRP 14 -3.183 2.050 5.338
84 2HB TRP 14 HB1 TRP 14 -3.396 1.953 7.077
85 HD1 TRP 14 HD1 TRP 14 -0.716 0.799 4.508
86 HE1 TRP 14 HE1 TRP 14 1.602 1.142 5.567
87 HE3 TRP 14 HE3 TRP 14 -2.156 2.544 9.087
88 HZ2 TRP 14 HZ2 TRP 14 2.680 2.036 8.007
89 HZ3 TRP 14 HZ3 TRP 14 -0.419 3.129 10.729
90 HH2 TRP 14 HH2 TRP 14 1.950 2.876 10.198
91 H PHE 15 HN PHE 15 -5.267 -0.342 7.864
92 HA PHE 15 HA PHE 15 -7.373 -1.003 6.092
93 1HB PHE 15 HB2 PHE 15 -7.345 -0.542 9.071
94 2HB PHE 15 HB1 PHE 15 -8.768 -1.094 8.196
95 HD1 PHE 15 HD1 PHE 15 -5.548 -2.037 9.573
96 HD2 PHE 15 HD2 PHE 15 -8.779 -3.299 7.115
97 HE1 PHE 15 HE1 PHE 15 -4.790 -4.364 9.776
98 HE2 PHE 15 HE2 PHE 15 -8.023 -5.631 7.302
99 HZ PHE 15 HZ PHE 15 -6.028 -6.167 8.640
100 H TYR 16 HN TYR 16 -8.343 0.481 4.896
101 HA TYR 16 HA TYR 16 -9.355 2.338 4.160
102 1HB TYR 16 HB2 TYR 16 -10.376 2.328 7.009
103 2HB TYR 16 HB1 TYR 16 -11.053 3.309 5.711
104 HD1 TYR 16 HD1 TYR 16 -10.973 0.023 7.229
105 HD2 TYR 16 HD2 TYR 16 -12.104 2.177 3.732
106 HE1 TYR 16 HE1 TYR 16 -12.403 -1.852 6.538
107 HE2 TYR 16 HE2 TYR 16 -13.537 0.309 3.041
108 HH TYR 16 HH TYR 16 -14.735 -1.822 4.724
109 H ARG 17 HN ARG 17 -6.687 2.719 4.896
110 HA ARG 17 HA ARG 17 -6.757 5.523 5.832
111 1HB ARG 17 HB2 ARG 17 -4.617 3.467 6.260
112 2HB ARG 17 HB1 ARG 17 -4.449 5.167 6.643
113 1HG ARG 17 HG2 ARG 17 -6.221 5.014 8.276
114 2HG ARG 17 HG1 ARG 17 -6.501 3.336 7.849
115 1HD ARG 17 HD2 ARG 17 -5.244 3.490 9.880
116 2HD ARG 17 HD1 ARG 17 -4.266 2.750 8.628
117 HE ARG 17 HE ARG 17 -3.489 5.299 8.424
118 1HH1 ARG 17 HH11 ARG 17 -3.880 3.268 11.263
119 2HH1 ARG 17 HH12 ARG 17 -2.662 4.101 12.145
120 1HH2 ARG 17 HH21 ARG 17 -1.872 6.362 9.608
121 2HH2 ARG 17 HH22 ARG 17 -1.516 5.844 11.223
122 HA PRO 18 HA PRO 18 -5.132 5.591 1.562
123 1HB PRO 18 HB2 PRO 18 -6.538 7.713 0.696
124 2HB PRO 18 HB1 PRO 18 -7.274 6.125 0.889
125 1HG PRO 18 HG2 PRO 18 -7.468 8.508 2.663
126 2HG PRO 18 HG1 PRO 18 -8.709 7.323 2.228
127 1HD PRO 18 HD2 PRO 18 -7.212 7.330 4.584
128 2HD PRO 18 HD1 PRO 18 -8.137 5.958 3.949
129 H SER 19 HN SER 19 -3.406 6.309 3.481
130 HA SER 19 HA SER 19 -2.209 8.718 2.402
131 1HB SER 19 HB2 SER 19 -2.845 8.500 5.364
132 2HB SER 19 HB1 SER 19 -1.916 9.788 4.594
133 HG SER 19 HG SER 19 -4.075 10.422 4.890
134 H CYS 20 HN CYS 20 -0.802 7.023 1.653
135 HA CYS 20 HA CYS 20 0.618 5.363 3.456
136 1HB CYS 20 HB2 CYS 20 1.117 6.072 0.579
137 2HB CYS 20 HB1 CYS 20 2.090 4.899 1.464
138 HA PRO 21 HA PRO 21 3.447 8.483 5.036
139 1HB PRO 21 HB2 PRO 21 4.759 5.962 5.916
140 2HB PRO 21 HB1 PRO 21 4.392 7.414 6.844
141 1HG PRO 21 HG2 PRO 21 2.918 5.229 7.128
142 2HG PRO 21 HG1 PRO 21 2.148 6.828 7.081
143 1HD PRO 21 HD2 PRO 21 2.253 4.754 4.957
144 2HD PRO 21 HD1 PRO 21 0.978 5.840 5.402
145 H THR 22 HN THR 22 4.932 9.414 3.805
146 HA THR 22 HA THR 22 6.381 7.945 1.789
147 HB THR 22 HB THR 22 5.516 10.246 1.365
148 HG1 THR 22 HG1 THR 22 7.245 10.791 0.146
149 1HG2 THR 22 HG21 THR 22 6.530 12.173 2.324
150 2HG2 THR 22 HG22 THR 22 7.715 11.203 3.189
151 3HG2 THR 22 HG23 THR 22 6.017 11.142 3.655
152 H ASP 23 HN ASP 23 6.918 8.858 5.052
153 HA ASP 23 HA ASP 23 9.800 8.886 4.913
154 1HB ASP 23 HB2 ASP 23 9.753 9.202 7.267
155 2HB ASP 23 HB1 ASP 23 8.408 10.139 6.627
156 H ARG 24 HN ARG 24 7.326 6.522 5.117
157 HA ARG 24 HA ARG 24 8.991 4.452 6.275
158 1HB ARG 24 HB2 ARG 24 6.276 4.414 4.948
159 2HB ARG 24 HB1 ARG 24 7.056 2.976 5.589
160 1HG ARG 24 HG2 ARG 24 6.268 5.405 7.187
161 2HG ARG 24 HG1 ARG 24 5.384 3.878 7.121
162 1HD ARG 24 HD2 ARG 24 8.150 4.352 8.177
163 2HD ARG 24 HD1 ARG 24 6.721 3.979 9.117
164 HE ARG 24 HE ARG 24 6.721 1.799 7.747
165 1HH1 ARG 24 HH11 ARG 24 9.596 3.505 8.844
166 2HH1 ARG 24 HH12 ARG 24 10.537 2.073 8.940
167 1HH2 ARG 24 HH21 ARG 24 7.994 -0.088 7.895
168 2HH2 ARG 24 HH22 ARG 24 9.644 0.028 8.410
169 H GLY 25 HN GLY 25 8.751 5.970 3.295
170 1HA GLY 25 HA2 GLY 25 9.952 5.586 1.411
171 2HA GLY 25 HA1 GLY 25 10.511 4.064 2.085
172 H TYR 26 HN TYR 26 7.073 4.684 2.022
173 HA TYR 26 HA TYR 26 6.567 2.372 0.492
174 1HB TYR 26 HB2 TYR 26 4.798 4.713 1.192
175 2HB TYR 26 HB1 TYR 26 4.209 3.261 0.388
176 HD1 TYR 26 HD1 TYR 26 5.699 1.190 1.870
177 HD2 TYR 26 HD2 TYR 26 3.689 4.621 3.270
178 HE1 TYR 26 HE1 TYR 26 5.346 0.052 4.012
179 HE2 TYR 26 HE2 TYR 26 3.324 3.496 5.432
180 HH TYR 26 HH TYR 26 4.788 1.309 6.660
181 H THR 27 HN THR 27 6.505 2.027 -1.629
182 HA THR 27 HA THR 27 7.120 4.286 -3.362
183 HB THR 27 HB THR 27 7.092 1.319 -4.027
184 HG1 THR 27 HG1 THR 27 9.255 2.986 -3.142
185 1HG2 THR 27 HG21 THR 27 8.671 2.032 -5.802
186 2HG2 THR 27 HG22 THR 27 8.349 3.713 -5.381
187 3HG2 THR 27 HG23 THR 27 7.053 2.695 -6.013
188 H GLY 28 HN GLY 28 4.717 1.672 -3.118
189 1HA GLY 28 HA2 GLY 28 3.045 3.145 -5.076
190 2HA GLY 28 HA1 GLY 28 3.073 1.400 -4.895
191 H SER 29 HN SER 29 0.718 2.709 -4.815
192 HA SER 29 HA SER 29 -0.153 2.246 -2.048
193 1HB SER 29 HB2 SER 29 -0.884 4.738 -3.609
194 2HB SER 29 HB1 SER 29 -1.416 4.312 -1.979
195 HG SER 29 HG SER 29 0.410 5.809 -2.135
196 H CYS 30 HN CYS 30 -0.883 0.322 -3.097
197 HA CYS 30 HA CYS 30 -2.840 0.476 -5.226
198 1HB CYS 30 HB2 CYS 30 -2.337 -1.982 -3.561
199 2HB CYS 30 HB1 CYS 30 -2.758 -1.853 -5.254
200 H ARG 31 HN ARG 31 -5.084 -0.050 -5.039
201 HA ARG 31 HA ARG 31 -6.150 0.399 -2.370
202 1HB ARG 31 HB2 ARG 31 -7.300 1.570 -4.146
203 2HB ARG 31 HB1 ARG 31 -7.593 0.058 -5.001
204 1HG ARG 31 HG2 ARG 31 -9.568 0.876 -3.782
205 2HG ARG 31 HG1 ARG 31 -9.052 -0.717 -3.235
206 1HD ARG 31 HD2 ARG 31 -7.695 0.740 -1.457
207 2HD ARG 31 HD1 ARG 31 -8.903 1.918 -1.890
208 HE ARG 31 HE ARG 31 -9.575 -0.788 -0.899
209 1HH1 ARG 31 HH11 ARG 31 -9.923 2.706 -0.716
210 2HH1 ARG 31 HH12 ARG 31 -11.178 2.624 0.451
211 1HH2 ARG 31 HH21 ARG 31 -11.242 -0.862 0.667
212 2HH2 ARG 31 HH22 ARG 31 -11.933 0.616 1.247
213 H TYR 32 HN TYR 32 -6.249 -1.274 -1.064
214 HA TYR 32 HA TYR 32 -6.728 -3.965 -2.163
215 1HB TYR 32 HB2 TYR 32 -4.799 -3.193 -0.473
216 2HB TYR 32 HB1 TYR 32 -6.043 -3.504 0.719
217 HD1 TYR 32 HD1 TYR 32 -6.421 -5.721 1.456
218 HD2 TYR 32 HD2 TYR 32 -4.247 -5.060 -2.148
219 HE1 TYR 32 HE1 TYR 32 -5.853 -8.113 1.356
220 HE2 TYR 32 HE2 TYR 32 -3.682 -7.442 -2.254
221 HH TYR 32 HH TYR 32 -3.584 -9.406 -0.026
222 H PHE 33 HN PHE 33 -8.235 -5.327 -0.984
223 HA PHE 33 HA PHE 33 -10.750 -4.334 -0.953
224 1HB PHE 33 HB2 PHE 33 -9.990 -6.748 -0.833
225 2HB PHE 33 HB1 PHE 33 -9.893 -6.567 0.897
226 HD1 PHE 33 HD1 PHE 33 -12.150 -6.549 -2.007
227 HD2 PHE 33 HD2 PHE 33 -11.904 -6.601 2.233
228 HE1 PHE 33 HE1 PHE 33 -14.543 -7.081 -1.865
229 HE2 PHE 33 HE2 PHE 33 -14.282 -7.123 2.388
230 HZ PHE 33 HZ PHE 33 -15.612 -7.370 0.333
231 H LEU 34 HN LEU 34 -8.646 -4.581 1.924
232 HA LEU 34 HA LEU 34 -10.733 -3.240 3.503
233 1HB LEU 34 HB2 LEU 34 -8.234 -4.680 4.345
234 2HB LEU 34 HB1 LEU 34 -9.324 -3.886 5.437
235 HG LEU 34 HG LEU 34 -9.879 -6.130 5.618
236 1HD1 LEU 34 HD11 LEU 34 -12.129 -6.288 4.808
237 2HD1 LEU 34 HD12 LEU 34 -11.843 -5.034 3.608
238 3HD1 LEU 34 HD13 LEU 34 -11.819 -4.634 5.325
239 1HD2 LEU 34 HD21 LEU 34 -9.878 -6.316 2.630
240 2HD2 LEU 34 HD22 LEU 34 -10.262 -7.618 3.725
241 3HD2 LEU 34 HD23 LEU 34 -8.635 -6.942 3.684
242 H GLY 35 HN GLY 35 -8.216 -2.123 1.698
243 1HA GLY 35 HA2 GLY 35 -8.308 0.423 2.689
244 2HA GLY 35 HA1 GLY 35 -7.071 -0.369 3.637
245 H THR 36 HN THR 36 -5.347 0.799 2.920
246 HA THR 36 HA THR 36 -4.859 0.778 0.008
247 HB THR 36 HB THR 36 -3.606 2.663 2.027
248 HG1 THR 36 HG1 THR 36 -6.014 3.032 0.508
249 1HG2 THR 36 HG21 THR 36 -2.492 2.509 -0.145
250 2HG2 THR 36 HG22 THR 36 -3.299 4.065 0.041
251 3HG2 THR 36 HG23 THR 36 -4.026 2.812 -0.965
252 H CYS 37 HN CYS 37 -3.303 -0.489 -0.684
253 HA CYS 37 HA CYS 37 -1.388 -1.704 1.090
254 1HB CYS 37 HB2 CYS 37 -2.226 -2.037 -1.718
255 2HB CYS 37 HB1 CYS 37 -0.562 -2.465 -1.364
256 H CYS 38 HN CYS 38 -0.053 -0.167 1.850
257 HA CYS 38 HA CYS 38 1.335 1.632 0.038
258 1HB CYS 38 HB2 CYS 38 1.766 1.142 3.001
259 2HB CYS 38 HB1 CYS 38 2.357 2.467 2.024
260 H THR 39 HN THR 39 2.587 0.427 -1.293
261 HA THR 39 HA THR 39 4.230 -1.688 -0.126
262 HB THR 39 HB THR 39 4.316 -2.376 -2.647
263 HG1 THR 39 HG1 THR 39 1.852 -0.941 -2.668
264 1HG2 THR 39 HG21 THR 39 1.640 -2.649 -1.365
265 2HG2 THR 39 HG22 THR 39 3.041 -3.425 -0.650
266 3HG2 THR 39 HG23 THR 39 2.565 -3.823 -2.292
267 HA PRO 40 HA PRO 40 7.863 0.399 -1.765
268 1HB PRO 40 HB2 PRO 40 9.458 0.029 0.397
269 2HB PRO 40 HB1 PRO 40 8.273 1.293 0.293
270 1HG PRO 40 HG2 PRO 40 8.193 -1.099 1.947
271 2HG PRO 40 HG1 PRO 40 7.330 0.410 2.126
272 1HD PRO 40 HD2 PRO 40 6.479 -2.062 0.916
273 2HD PRO 40 HD1 PRO 40 5.484 -0.678 1.314
274 H ALA 41 HN ALA 41 9.364 -1.766 0.382
275 HA ALA 41 HA ALA 41 9.263 -4.181 -1.028
276 1HB ALA 41 HB1 ALA 41 11.806 -2.567 -1.353
277 2HB ALA 41 HB2 ALA 41 10.674 -2.982 -2.638
278 3HB ALA 41 HB3 ALA 41 11.586 -4.254 -1.827
279 H ASP 42 HN ASP 42 8.852 -3.248 1.570
280 HA ASP 42 HA ASP 42 11.285 -3.851 3.082
281 1HB ASP 42 HB2 ASP 42 9.950 -1.686 3.309
282 2HB ASP 42 HB1 ASP 42 8.705 -2.633 4.110
Start of MODEL 13
1 1H GLY 1 HT1 GLY 1 3.720 -8.133 9.852
2 2H GLY 1 HT2 GLY 1 4.500 -6.701 10.297
3 3H GLY 1 HT3 GLY 1 4.207 -7.026 8.664
4 1HA GLY 1 HA1 GLY 1 2.143 -6.533 10.743
5 2HA GLY 1 HA2 GLY 1 2.653 -5.381 9.515
6 H THR 2 HN THR 2 0.475 -5.287 8.748
7 HA THR 2 HA THR 2 -0.722 -7.674 7.599
8 HB THR 2 HB THR 2 -2.327 -5.823 6.646
9 HG1 THR 2 HG1 THR 2 -1.452 -3.909 7.054
10 1HG2 THR 2 HG21 THR 2 -2.939 -7.387 8.406
11 2HG2 THR 2 HG22 THR 2 -3.568 -5.772 8.733
12 3HG2 THR 2 HG23 THR 2 -2.144 -6.353 9.597
13 H ALA 3 HN ALA 3 1.087 -8.207 6.290
14 HA ALA 3 HA ALA 3 2.129 -6.477 4.358
15 1HB ALA 3 HB1 ALA 3 3.380 -8.333 5.308
16 2HB ALA 3 HB2 ALA 3 3.380 -8.386 3.546
17 3HB ALA 3 HB3 ALA 3 2.332 -9.472 4.464
18 H CYS 4 HN CYS 4 1.884 -6.283 2.205
19 HA CYS 4 HA CYS 4 0.181 -8.087 0.710
20 1HB CYS 4 HB2 CYS 4 -1.240 -6.328 -0.221
21 2HB CYS 4 HB1 CYS 4 -1.449 -6.428 1.519
22 H SER 5 HN SER 5 0.494 -7.756 -1.635
23 HA SER 5 HA SER 5 2.952 -6.216 -2.187
24 1HB SER 5 HB2 SER 5 3.450 -8.622 -1.925
25 2HB SER 5 HB1 SER 5 2.321 -8.983 -3.229
26 HG SER 5 HG SER 5 4.795 -7.626 -3.349
27 H CYS 6 HN CYS 6 3.113 -5.199 -4.076
28 HA CYS 6 HA CYS 6 0.851 -5.384 -5.971
29 1HB CYS 6 HB2 CYS 6 2.549 -2.981 -5.263
30 2HB CYS 6 HB1 CYS 6 1.380 -3.033 -6.579
31 H GLY 7 HN GLY 7 1.847 -6.978 -7.201
32 1HA GLY 7 HA2 GLY 7 3.135 -7.748 -8.915
33 2HA GLY 7 HA1 GLY 7 3.636 -6.090 -9.211
34 H ASN 8 HN ASN 8 5.615 -5.422 -8.521
35 HA ASN 8 HA ASN 8 7.424 -7.484 -7.475
36 1HB ASN 8 HB2 ASN 8 8.152 -6.182 -9.415
37 2HB ASN 8 HB1 ASN 8 7.959 -4.687 -8.504
38 1HD2 ASN 8 HD21 ASN 8 9.997 -3.959 -8.314
39 2HD2 ASN 8 HD22 ASN 8 11.301 -4.867 -7.638
40 H SER 9 HN SER 9 5.938 -4.419 -6.590
41 HA SER 9 HA SER 9 7.668 -3.954 -4.363
42 1HB SER 9 HB2 SER 9 5.002 -2.674 -5.041
43 2HB SER 9 HB1 SER 9 6.220 -2.043 -3.928
44 HG SER 9 HG SER 9 6.252 -1.155 -6.115
45 H LYS 10 HN LYS 10 7.258 -4.206 -2.166
46 HA LYS 10 HA LYS 10 4.775 -5.607 -1.406
47 1HB LYS 10 HB2 LYS 10 5.964 -7.251 -0.170
48 2HB LYS 10 HB1 LYS 10 6.582 -7.257 -1.814
49 1HG LYS 10 HG2 LYS 10 8.504 -5.912 -1.033
50 2HG LYS 10 HG1 LYS 10 7.922 -6.073 0.623
51 1HD LYS 10 HD2 LYS 10 8.590 -8.389 -1.206
52 2HD LYS 10 HD1 LYS 10 9.703 -7.697 -0.027
53 1HE LYS 10 HE2 LYS 10 6.993 -8.799 0.736
54 2HE LYS 10 HE1 LYS 10 8.462 -9.759 0.706
55 1HZ LYS 10 HZ1 LYS 10 7.762 -7.533 2.480
56 2HZ LYS 10 HZ2 LYS 10 9.394 -7.923 2.226
57 3HZ LYS 10 HZ3 LYS 10 8.336 -9.068 2.875
58 H GLY 11 HN GLY 11 3.982 -5.092 0.588
59 1HA GLY 11 HA2 GLY 11 5.566 -3.779 2.579
60 2HA GLY 11 HA1 GLY 11 4.591 -2.636 1.682
61 H ILE 12 HN ILE 12 3.155 -2.043 3.205
62 HA ILE 12 HA ILE 12 1.570 -4.176 4.509
63 HB ILE 12 HB ILE 12 2.435 -1.507 5.648
64 1HG1 ILE 12 HG12 ILE 12 4.296 -3.084 5.548
65 2HG1 ILE 12 HG11 ILE 12 3.791 -2.837 7.215
66 1HG2 ILE 12 HG21 ILE 12 1.493 -2.464 7.782
67 2HG2 ILE 12 HG22 ILE 12 0.733 -3.711 6.794
68 3HG2 ILE 12 HG23 ILE 12 0.312 -2.015 6.559
69 1HD1 ILE 12 HD11 ILE 12 2.491 -4.982 7.033
70 2HD1 ILE 12 HD12 ILE 12 4.239 -5.138 6.929
71 3HD1 ILE 12 HD13 ILE 12 3.266 -5.217 5.473
72 H TYR 13 HN TYR 13 -0.635 -3.969 4.436
73 HA TYR 13 HA TYR 13 -1.634 -1.568 3.108
74 1HB TYR 13 HB2 TYR 13 -3.447 -2.703 2.329
75 2HB TYR 13 HB1 TYR 13 -2.255 -3.955 2.330
76 HD1 TYR 13 HD1 TYR 13 -5.366 -2.824 3.762
77 HD2 TYR 13 HD2 TYR 13 -2.316 -5.794 3.992
78 HE1 TYR 13 HE1 TYR 13 -6.869 -4.274 5.044
79 HE2 TYR 13 HE2 TYR 13 -3.825 -7.247 5.277
80 HH TYR 13 HH TYR 13 -6.826 -7.180 5.322
81 H TRP 14 HN TRP 14 -2.850 -0.135 4.067
82 HA TRP 14 HA TRP 14 -3.217 -0.398 6.964
83 1HB TRP 14 HB2 TRP 14 -3.188 2.010 5.121
84 2HB TRP 14 HB1 TRP 14 -3.459 2.072 6.861
85 HD1 TRP 14 HD1 TRP 14 -0.662 0.274 4.819
86 HE1 TRP 14 HE1 TRP 14 1.601 0.972 5.809
87 HE3 TRP 14 HE3 TRP 14 -2.318 3.549 8.370
88 HZ2 TRP 14 HZ2 TRP 14 2.565 2.705 7.815
89 HZ3 TRP 14 HZ3 TRP 14 -0.657 4.695 9.777
90 HH2 TRP 14 HH2 TRP 14 1.732 4.279 9.504
91 H PHE 15 HN PHE 15 -5.204 -0.078 7.922
92 HA PHE 15 HA PHE 15 -7.420 -0.775 6.243
93 1HB PHE 15 HB2 PHE 15 -7.211 -0.233 9.202
94 2HB PHE 15 HB1 PHE 15 -8.714 -0.700 8.414
95 HD1 PHE 15 HD1 PHE 15 -8.924 -2.919 7.349
96 HD2 PHE 15 HD2 PHE 15 -5.506 -1.844 9.657
97 HE1 PHE 15 HE1 PHE 15 -8.312 -5.289 7.544
98 HE2 PHE 15 HE2 PHE 15 -4.893 -4.215 9.852
99 HZ PHE 15 HZ PHE 15 -6.292 -5.940 8.795
100 H TYR 16 HN TYR 16 -8.370 0.681 5.040
101 HA TYR 16 HA TYR 16 -9.401 2.519 4.281
102 1HB TYR 16 HB2 TYR 16 -10.298 2.583 7.167
103 2HB TYR 16 HB1 TYR 16 -11.062 3.485 5.863
104 HD1 TYR 16 HD1 TYR 16 -10.806 0.274 7.511
105 HD2 TYR 16 HD2 TYR 16 -12.175 2.237 3.985
106 HE1 TYR 16 HE1 TYR 16 -12.220 -1.664 6.984
107 HE2 TYR 16 HE2 TYR 16 -13.592 0.303 3.456
108 HH TYR 16 HH TYR 16 -14.634 -1.793 5.336
109 H ARG 17 HN ARG 17 -7.132 3.438 4.089
110 HA ARG 17 HA ARG 17 -6.966 5.916 5.666
111 1HB ARG 17 HB2 ARG 17 -4.781 4.523 4.131
112 2HB ARG 17 HB1 ARG 17 -4.607 6.044 4.990
113 1HG ARG 17 HG2 ARG 17 -5.326 3.409 6.270
114 2HG ARG 17 HG1 ARG 17 -3.712 4.118 6.210
115 1HD ARG 17 HD2 ARG 17 -4.462 6.026 7.459
116 2HD ARG 17 HD1 ARG 17 -6.108 5.410 7.502
117 HE ARG 17 HE ARG 17 -4.985 3.406 8.695
118 1HH1 ARG 17 HH11 ARG 17 -4.070 6.783 9.091
119 2HH1 ARG 17 HH12 ARG 17 -3.584 6.564 10.724
120 1HH2 ARG 17 HH21 ARG 17 -4.318 3.154 10.854
121 2HH2 ARG 17 HH22 ARG 17 -3.721 4.521 11.735
122 HA PRO 18 HA PRO 18 -8.676 7.664 1.931
123 1HB PRO 18 HB2 PRO 18 -8.134 10.307 2.585
124 2HB PRO 18 HB1 PRO 18 -9.530 9.383 3.140
125 1HG PRO 18 HG2 PRO 18 -6.946 9.918 4.542
126 2HG PRO 18 HG1 PRO 18 -8.601 9.955 5.181
127 1HD PRO 18 HD2 PRO 18 -6.991 7.895 5.638
128 2HD PRO 18 HD1 PRO 18 -8.724 7.640 5.339
129 H SER 19 HN SER 19 -5.413 8.042 3.021
130 HA SER 19 HA SER 19 -4.427 8.137 0.339
131 1HB SER 19 HB2 SER 19 -4.896 10.551 0.827
132 2HB SER 19 HB1 SER 19 -3.784 10.462 2.192
133 HG SER 19 HG SER 19 -2.105 10.164 0.802
134 H CYS 20 HN CYS 20 -2.341 7.334 0.258
135 HA CYS 20 HA CYS 20 -1.407 6.054 2.661
136 1HB CYS 20 HB2 CYS 20 -1.283 4.889 0.523
137 2HB CYS 20 HB1 CYS 20 -0.194 6.112 -0.099
138 HA PRO 21 HA PRO 21 1.073 9.680 3.620
139 1HB PRO 21 HB2 PRO 21 2.078 8.743 5.966
140 2HB PRO 21 HB1 PRO 21 0.459 9.389 5.795
141 1HG PRO 21 HG2 PRO 21 1.351 6.549 5.915
142 2HG PRO 21 HG1 PRO 21 -0.083 7.311 6.625
143 1HD PRO 21 HD2 PRO 21 -0.110 5.830 4.325
144 2HD PRO 21 HD1 PRO 21 -1.289 7.098 4.701
145 H THR 22 HN THR 22 2.946 10.048 2.648
146 HA THR 22 HA THR 22 4.642 7.866 1.892
147 HB THR 22 HB THR 22 4.135 9.625 0.289
148 HG1 THR 22 HG1 THR 22 6.096 8.708 -0.127
149 1HG2 THR 22 HG21 THR 22 5.374 11.858 0.643
150 2HG2 THR 22 HG22 THR 22 5.329 11.455 2.353
151 3HG2 THR 22 HG23 THR 22 3.831 11.600 1.441
152 H ASP 23 HN ASP 23 4.916 7.666 4.461
153 HA ASP 23 HA ASP 23 7.188 9.199 5.447
154 1HB ASP 23 HB2 ASP 23 5.669 6.892 6.693
155 2HB ASP 23 HB1 ASP 23 6.933 7.832 7.483
156 H ARG 24 HN ARG 24 6.388 5.852 4.529
157 HA ARG 24 HA ARG 24 9.224 5.119 4.797
158 1HB ARG 24 HB2 ARG 24 6.657 3.689 4.945
159 2HB ARG 24 HB1 ARG 24 7.957 2.773 4.245
160 1HG ARG 24 HG2 ARG 24 7.747 2.351 6.605
161 2HG ARG 24 HG1 ARG 24 9.289 3.116 6.231
162 1HD ARG 24 HD2 ARG 24 8.429 4.082 8.198
163 2HD ARG 24 HD1 ARG 24 8.321 5.297 6.941
164 HE ARG 24 HE ARG 24 5.863 4.358 6.812
165 1HH1 ARG 24 HH11 ARG 24 7.783 4.965 9.696
166 2HH1 ARG 24 HH12 ARG 24 6.416 5.397 10.642
167 1HH2 ARG 24 HH21 ARG 24 4.066 4.954 8.102
168 2HH2 ARG 24 HH22 ARG 24 4.315 5.399 9.758
169 H GLY 25 HN GLY 25 8.275 6.719 2.503
170 1HA GLY 25 HA2 GLY 25 8.522 6.802 0.240
171 2HA GLY 25 HA1 GLY 25 9.888 5.753 0.570
172 H TYR 26 HN TYR 26 6.524 4.872 1.052
173 HA TYR 26 HA TYR 26 6.533 2.423 -0.203
174 1HB TYR 26 HB2 TYR 26 4.184 4.329 -0.186
175 2HB TYR 26 HB1 TYR 26 4.132 2.571 -0.277
176 HD1 TYR 26 HD1 TYR 26 5.225 1.324 1.758
177 HD2 TYR 26 HD2 TYR 26 3.880 5.338 1.881
178 HE1 TYR 26 HE1 TYR 26 5.082 1.170 4.197
179 HE2 TYR 26 HE2 TYR 26 3.717 5.190 4.328
180 HH TYR 26 HH TYR 26 4.988 2.554 6.143
181 H THR 27 HN THR 27 6.380 1.711 -2.264
182 HA THR 27 HA THR 27 6.793 3.652 -4.371
183 HB THR 27 HB THR 27 6.760 0.617 -4.607
184 HG1 THR 27 HG1 THR 27 8.961 2.357 -4.007
185 1HG2 THR 27 HG21 THR 27 8.259 1.075 -6.518
186 2HG2 THR 27 HG22 THR 27 7.999 2.803 -6.291
187 3HG2 THR 27 HG23 THR 27 6.651 1.758 -6.744
188 H GLY 28 HN GLY 28 4.554 0.932 -3.738
189 1HA GLY 28 HA2 GLY 28 2.702 2.129 -5.726
190 2HA GLY 28 HA1 GLY 28 2.871 0.414 -5.411
191 H SER 29 HN SER 29 0.976 3.022 -4.830
192 HA SER 29 HA SER 29 -0.049 1.996 -2.258
193 1HB SER 29 HB2 SER 29 -0.806 4.516 -3.757
194 2HB SER 29 HB1 SER 29 -1.304 4.057 -2.127
195 HG SER 29 HG SER 29 0.836 4.275 -1.461
196 H CYS 30 HN CYS 30 -1.069 0.131 -3.027
197 HA CYS 30 HA CYS 30 -3.057 0.413 -5.170
198 1HB CYS 30 HB2 CYS 30 -2.238 -2.065 -3.647
199 2HB CYS 30 HB1 CYS 30 -3.175 -1.989 -5.125
200 H ARG 31 HN ARG 31 -5.273 -0.140 -4.856
201 HA ARG 31 HA ARG 31 -6.173 0.336 -2.133
202 1HB ARG 31 HB2 ARG 31 -7.279 0.885 -4.651
203 2HB ARG 31 HB1 ARG 31 -8.312 -0.373 -3.998
204 1HG ARG 31 HG2 ARG 31 -7.687 2.302 -2.787
205 2HG ARG 31 HG1 ARG 31 -9.233 1.722 -3.402
206 1HD ARG 31 HD2 ARG 31 -7.790 0.571 -1.023
207 2HD ARG 31 HD1 ARG 31 -9.071 1.731 -0.920
208 HE ARG 31 HE ARG 31 -9.288 -1.100 -1.565
209 1HH1 ARG 31 HH11 ARG 31 -10.894 2.024 -1.395
210 2HH1 ARG 31 HH12 ARG 31 -12.469 1.340 -1.470
211 1HH2 ARG 31 HH21 ARG 31 -11.394 -1.983 -1.676
212 2HH2 ARG 31 HH22 ARG 31 -12.767 -0.928 -1.634
213 H TYR 32 HN TYR 32 -5.794 -1.417 -0.908
214 HA TYR 32 HA TYR 32 -6.370 -4.091 -1.875
215 1HB TYR 32 HB2 TYR 32 -4.517 -3.460 -0.233
216 2HB TYR 32 HB1 TYR 32 -5.753 -3.277 0.985
217 HD1 TYR 32 HD1 TYR 32 -4.088 -5.679 -1.289
218 HD2 TYR 32 HD2 TYR 32 -6.722 -5.211 2.023
219 HE1 TYR 32 HE1 TYR 32 -3.990 -8.097 -0.870
220 HE2 TYR 32 HE2 TYR 32 -6.632 -7.625 2.446
221 HH TYR 32 HH TYR 32 -4.581 -9.558 1.686
222 H PHE 33 HN PHE 33 -7.894 -5.464 -0.665
223 HA PHE 33 HA PHE 33 -10.423 -4.607 -0.990
224 1HB PHE 33 HB2 PHE 33 -9.652 -6.660 1.078
225 2HB PHE 33 HB1 PHE 33 -11.191 -6.549 0.231
226 HD1 PHE 33 HD1 PHE 33 -8.084 -8.149 0.312
227 HD2 PHE 33 HD2 PHE 33 -10.983 -6.641 -2.410
228 HE1 PHE 33 HE1 PHE 33 -7.181 -9.606 -1.442
229 HE2 PHE 33 HE2 PHE 33 -10.092 -8.107 -4.167
230 HZ PHE 33 HZ PHE 33 -8.190 -9.591 -3.688
231 H LEU 34 HN LEU 34 -8.624 -4.349 2.074
232 HA LEU 34 HA LEU 34 -10.959 -2.951 3.221
233 1HB LEU 34 HB2 LEU 34 -8.731 -4.401 4.633
234 2HB LEU 34 HB1 LEU 34 -10.019 -3.531 5.425
235 HG LEU 34 HG LEU 34 -10.635 -5.765 5.597
236 1HD1 LEU 34 HD11 LEU 34 -12.669 -5.956 4.363
237 2HD1 LEU 34 HD12 LEU 34 -12.110 -4.818 3.140
238 3HD1 LEU 34 HD13 LEU 34 -12.439 -4.261 4.783
239 1HD2 LEU 34 HD21 LEU 34 -10.684 -6.664 2.862
240 2HD2 LEU 34 HD22 LEU 34 -9.901 -7.361 4.271
241 3HD2 LEU 34 HD23 LEU 34 -9.058 -6.151 3.314
242 H GLY 35 HN GLY 35 -8.311 -1.965 1.697
243 1HA GLY 35 HA2 GLY 35 -8.385 0.577 2.666
244 2HA GLY 35 HA1 GLY 35 -7.250 -0.233 3.716
245 H THR 36 HN THR 36 -5.510 0.951 3.141
246 HA THR 36 HA THR 36 -4.846 1.170 0.300
247 HB THR 36 HB THR 36 -3.402 2.624 2.518
248 HG1 THR 36 HG1 THR 36 -5.982 3.316 1.466
249 1HG2 THR 36 HG21 THR 36 -2.593 2.924 0.247
250 2HG2 THR 36 HG22 THR 36 -3.378 4.401 0.806
251 3HG2 THR 36 HG23 THR 36 -4.219 3.328 -0.311
252 H CYS 37 HN CYS 37 -3.596 -0.412 -0.418
253 HA CYS 37 HA CYS 37 -1.666 -1.781 1.208
254 1HB CYS 37 HB2 CYS 37 -2.957 -2.956 -0.493
255 2HB CYS 37 HB1 CYS 37 -2.254 -1.956 -1.730
256 H CYS 38 HN CYS 38 -0.114 -0.326 1.831
257 HA CYS 38 HA CYS 38 1.220 1.289 -0.212
258 1HB CYS 38 HB2 CYS 38 1.571 1.145 2.790
259 2HB CYS 38 HB1 CYS 38 2.387 2.254 1.723
260 H THR 39 HN THR 39 2.590 0.086 -1.413
261 HA THR 39 HA THR 39 4.334 -1.841 -0.039
262 HB THR 39 HB THR 39 4.418 -3.040 -2.189
263 HG1 THR 39 HG1 THR 39 2.375 -1.226 -3.032
264 1HG2 THR 39 HG21 THR 39 1.667 -2.506 -1.157
265 2HG2 THR 39 HG22 THR 39 2.784 -3.686 -0.507
266 3HG2 THR 39 HG23 THR 39 2.132 -3.897 -2.130
267 HA PRO 40 HA PRO 40 7.747 0.341 -2.017
268 1HB PRO 40 HB2 PRO 40 9.441 0.091 0.162
269 2HB PRO 40 HB1 PRO 40 8.412 1.468 -0.171
270 1HG PRO 40 HG2 PRO 40 8.172 -0.432 1.959
271 2HG PRO 40 HG1 PRO 40 7.197 0.999 1.650
272 1HD PRO 40 HD2 PRO 40 6.643 -1.816 1.042
273 2HD PRO 40 HD1 PRO 40 5.509 -0.486 1.215
274 H ALA 41 HN ALA 41 8.897 -1.924 0.386
275 HA ALA 41 HA ALA 41 9.239 -4.205 -1.172
276 1HB ALA 41 HB1 ALA 41 11.670 -2.429 -0.984
277 2HB ALA 41 HB2 ALA 41 10.830 -2.903 -2.458
278 3HB ALA 41 HB3 ALA 41 11.690 -4.113 -1.511
279 H ASP 42 HN ASP 42 8.408 -3.360 1.434
280 HA ASP 42 HA ASP 42 10.569 -3.960 3.261
281 1HB ASP 42 HB2 ASP 42 8.969 -2.103 3.669
282 2HB ASP 42 HB1 ASP 42 7.673 -3.282 3.847
Start of MODEL 14
1 1H GLY 1 HT1 GLY 1 2.107 -9.120 10.764
2 2H GLY 1 HT2 GLY 1 3.420 -8.157 11.215
3 3H GLY 1 HT3 GLY 1 3.318 -8.752 9.636
4 1HA GLY 1 HA1 GLY 1 1.471 -6.796 10.889
5 2HA GLY 1 HA2 GLY 1 2.728 -6.413 9.720
6 H THR 2 HN THR 2 0.427 -5.547 8.941
7 HA THR 2 HA THR 2 -1.098 -7.524 7.470
8 HB THR 2 HB THR 2 -2.213 -5.334 6.580
9 HG1 THR 2 HG1 THR 2 -1.062 -4.136 8.851
10 1HG2 THR 2 HG21 THR 2 -3.512 -6.519 8.064
11 2HG2 THR 2 HG22 THR 2 -3.268 -4.993 8.903
12 3HG2 THR 2 HG23 THR 2 -2.322 -6.398 9.365
13 H ALA 3 HN ALA 3 0.844 -8.282 6.348
14 HA ALA 3 HA ALA 3 2.233 -6.691 4.489
15 1HB ALA 3 HB1 ALA 3 3.136 -8.781 3.647
16 2HB ALA 3 HB2 ALA 3 1.906 -9.684 4.534
17 3HB ALA 3 HB3 ALA 3 3.125 -8.760 5.409
18 H CYS 4 HN CYS 4 2.014 -6.380 2.343
19 HA CYS 4 HA CYS 4 -0.162 -7.666 0.866
20 1HB CYS 4 HB2 CYS 4 -1.273 -5.723 1.701
21 2HB CYS 4 HB1 CYS 4 0.096 -4.690 1.324
22 H SER 5 HN SER 5 0.152 -7.604 -1.397
23 HA SER 5 HA SER 5 2.802 -6.604 -2.238
24 1HB SER 5 HB2 SER 5 1.547 -9.251 -2.984
25 2HB SER 5 HB1 SER 5 3.084 -8.624 -3.585
26 HG SER 5 HG SER 5 3.501 -9.994 -1.883
27 H CYS 6 HN CYS 6 2.941 -5.673 -4.146
28 HA CYS 6 HA CYS 6 0.617 -5.678 -5.969
29 1HB CYS 6 HB2 CYS 6 2.580 -3.426 -5.484
30 2HB CYS 6 HB1 CYS 6 1.306 -3.431 -6.691
31 H GLY 7 HN GLY 7 1.753 -7.643 -6.715
32 1HA GLY 7 HA2 GLY 7 3.036 -8.721 -8.255
33 2HA GLY 7 HA1 GLY 7 3.314 -7.163 -9.020
34 H ASN 8 HN ASN 8 5.234 -6.145 -8.724
35 HA ASN 8 HA ASN 8 7.404 -7.666 -7.544
36 1HB ASN 8 HB2 ASN 8 7.318 -4.945 -8.876
37 2HB ASN 8 HB1 ASN 8 8.793 -5.721 -8.309
38 1HD2 ASN 8 HD21 ASN 8 6.266 -5.767 -10.709
39 2HD2 ASN 8 HD22 ASN 8 7.066 -6.860 -11.780
40 H SER 9 HN SER 9 5.566 -4.740 -6.855
41 HA SER 9 HA SER 9 7.321 -3.881 -4.765
42 1HB SER 9 HB2 SER 9 5.915 -2.383 -6.223
43 2HB SER 9 HB1 SER 9 4.502 -2.932 -5.338
44 HG SER 9 HG SER 9 5.498 -0.947 -4.570
45 H LYS 10 HN LYS 10 7.120 -4.156 -2.560
46 HA LYS 10 HA LYS 10 4.769 -5.659 -1.565
47 1HB LYS 10 HB2 LYS 10 7.662 -6.335 -0.985
48 2HB LYS 10 HB1 LYS 10 6.251 -7.129 -0.286
49 1HG LYS 10 HG2 LYS 10 5.593 -7.934 -2.483
50 2HG LYS 10 HG1 LYS 10 6.966 -7.098 -3.209
51 1HD LYS 10 HD2 LYS 10 8.490 -8.487 -1.842
52 2HD LYS 10 HD1 LYS 10 7.087 -9.361 -1.219
53 1HE LYS 10 HE2 LYS 10 8.127 -10.601 -3.026
54 2HE LYS 10 HE1 LYS 10 6.520 -10.057 -3.508
55 1HZ LYS 10 HZ1 LYS 10 8.327 -9.768 -5.197
56 2HZ LYS 10 HZ2 LYS 10 9.001 -8.574 -4.210
57 3HZ LYS 10 HZ3 LYS 10 7.447 -8.370 -4.851
58 H GLY 11 HN GLY 11 4.131 -5.175 0.487
59 1HA GLY 11 HA2 GLY 11 5.703 -3.826 2.397
60 2HA GLY 11 HA1 GLY 11 4.784 -2.652 1.498
61 H ILE 12 HN ILE 12 3.359 -1.982 3.008
62 HA ILE 12 HA ILE 12 1.711 -4.036 4.362
63 HB ILE 12 HB ILE 12 2.716 -1.398 5.464
64 1HG1 ILE 12 HG12 ILE 12 4.503 -3.079 5.310
65 2HG1 ILE 12 HG11 ILE 12 4.079 -2.750 6.984
66 1HG2 ILE 12 HG21 ILE 12 1.798 -2.301 7.626
67 2HG2 ILE 12 HG22 ILE 12 0.970 -3.533 6.673
68 3HG2 ILE 12 HG23 ILE 12 0.598 -1.827 6.430
69 1HD1 ILE 12 HD11 ILE 12 2.716 -4.823 6.995
70 2HD1 ILE 12 HD12 ILE 12 4.427 -5.095 6.693
71 3HD1 ILE 12 HD13 ILE 12 3.286 -5.147 5.363
72 H TYR 13 HN TYR 13 -0.485 -3.732 4.381
73 HA TYR 13 HA TYR 13 -1.429 -1.279 3.067
74 1HB TYR 13 HB2 TYR 13 -3.381 -2.360 2.400
75 2HB TYR 13 HB1 TYR 13 -2.111 -3.538 2.123
76 HD1 TYR 13 HD1 TYR 13 -5.196 -2.828 3.867
77 HD2 TYR 13 HD2 TYR 13 -1.848 -5.459 3.728
78 HE1 TYR 13 HE1 TYR 13 -6.437 -4.488 5.176
79 HE2 TYR 13 HE2 TYR 13 -3.090 -7.119 5.034
80 HH TYR 13 HH TYR 13 -6.007 -7.424 5.332
81 H TRP 14 HN TRP 14 -2.890 0.048 4.003
82 HA TRP 14 HA TRP 14 -3.142 -0.257 6.925
83 1HB TRP 14 HB2 TRP 14 -3.159 2.208 5.168
84 2HB TRP 14 HB1 TRP 14 -3.395 2.208 6.913
85 HD1 TRP 14 HD1 TRP 14 -0.659 1.439 4.294
86 HE1 TRP 14 HE1 TRP 14 1.634 1.711 5.431
87 HE3 TRP 14 HE3 TRP 14 -2.214 2.264 9.097
88 HZ2 TRP 14 HZ2 TRP 14 2.651 2.212 8.008
89 HZ3 TRP 14 HZ3 TRP 14 -0.513 2.632 10.836
90 HH2 TRP 14 HH2 TRP 14 1.867 2.606 10.303
91 H PHE 15 HN PHE 15 -5.088 -0.145 7.898
92 HA PHE 15 HA PHE 15 -7.332 -0.769 6.252
93 1HB PHE 15 HB2 PHE 15 -7.024 -0.401 9.228
94 2HB PHE 15 HB1 PHE 15 -8.570 -0.795 8.488
95 HD1 PHE 15 HD1 PHE 15 -8.660 -2.889 6.997
96 HD2 PHE 15 HD2 PHE 15 -5.559 -2.119 9.815
97 HE1 PHE 15 HE1 PHE 15 -8.115 -5.284 7.047
98 HE2 PHE 15 HE2 PHE 15 -5.016 -4.511 9.870
99 HZ PHE 15 HZ PHE 15 -6.285 -6.100 8.481
100 H TYR 16 HN TYR 16 -8.621 0.573 5.299
101 HA TYR 16 HA TYR 16 -9.808 2.378 4.712
102 1HB TYR 16 HB2 TYR 16 -10.321 2.126 7.665
103 2HB TYR 16 HB1 TYR 16 -11.186 3.314 6.693
104 HD1 TYR 16 HD1 TYR 16 -12.692 2.607 4.889
105 HD2 TYR 16 HD2 TYR 16 -10.836 -0.238 7.461
106 HE1 TYR 16 HE1 TYR 16 -14.282 0.897 4.136
107 HE2 TYR 16 HE2 TYR 16 -12.427 -1.954 6.711
108 HH TYR 16 HH TYR 16 -15.087 -1.625 5.553
109 H ARG 17 HN ARG 17 -7.030 3.042 5.162
110 HA ARG 17 HA ARG 17 -7.300 5.876 5.899
111 1HB ARG 17 HB2 ARG 17 -4.839 4.247 5.310
112 2HB ARG 17 HB1 ARG 17 -4.848 5.989 5.576
113 1HG ARG 17 HG2 ARG 17 -5.815 5.557 7.837
114 2HG ARG 17 HG1 ARG 17 -5.570 3.831 7.545
115 1HD ARG 17 HD2 ARG 17 -3.157 4.279 7.184
116 2HD ARG 17 HD1 ARG 17 -3.467 5.971 7.560
117 HE ARG 17 HE ARG 17 -4.207 3.978 9.571
118 1HH1 ARG 17 HH11 ARG 17 -1.945 6.461 8.521
119 2HH1 ARG 17 HH12 ARG 17 -1.196 6.574 10.063
120 1HH2 ARG 17 HH21 ARG 17 -3.196 4.153 11.601
121 2HH2 ARG 17 HH22 ARG 17 -1.890 5.271 11.816
122 HA PRO 18 HA PRO 18 -8.066 5.942 1.396
123 1HB PRO 18 HB2 PRO 18 -8.918 8.554 1.329
124 2HB PRO 18 HB1 PRO 18 -9.944 7.186 1.764
125 1HG PRO 18 HG2 PRO 18 -8.522 9.115 3.548
126 2HG PRO 18 HG1 PRO 18 -10.170 8.474 3.674
127 1HD PRO 18 HD2 PRO 18 -8.144 7.535 5.169
128 2HD PRO 18 HD1 PRO 18 -9.462 6.491 4.601
129 H SER 19 HN SER 19 -5.854 7.677 3.349
130 HA SER 19 HA SER 19 -4.446 8.718 0.985
131 1HB SER 19 HB2 SER 19 -5.314 10.400 2.670
132 2HB SER 19 HB1 SER 19 -4.189 9.711 3.836
133 HG SER 19 HG SER 19 -3.429 11.582 2.606
134 H CYS 20 HN CYS 20 -2.760 7.446 0.501
135 HA CYS 20 HA CYS 20 -1.688 5.553 2.316
136 1HB CYS 20 HB2 CYS 20 -1.663 5.107 -0.051
137 2HB CYS 20 HB1 CYS 20 -0.652 6.499 -0.344
138 HA PRO 21 HA PRO 21 1.239 8.392 4.255
139 1HB PRO 21 HB2 PRO 21 2.304 6.010 5.618
140 2HB PRO 21 HB1 PRO 21 1.461 7.406 6.279
141 1HG PRO 21 HG2 PRO 21 0.373 4.931 6.154
142 2HG PRO 21 HG1 PRO 21 -0.588 6.420 6.091
143 1HD PRO 21 HD2 PRO 21 0.281 4.631 3.887
144 2HD PRO 21 HD1 PRO 21 -1.285 5.418 4.140
145 H THR 22 HN THR 22 2.072 8.238 1.874
146 HA THR 22 HA THR 22 4.216 6.426 1.337
147 HB THR 22 HB THR 22 2.832 7.191 -0.502
148 HG1 THR 22 HG1 THR 22 4.887 6.790 -1.217
149 1HG2 THR 22 HG21 THR 22 3.134 9.631 -1.239
150 2HG2 THR 22 HG22 THR 22 3.634 9.942 0.418
151 3HG2 THR 22 HG23 THR 22 2.030 9.289 0.084
152 H ASP 23 HN ASP 23 4.198 8.764 3.472
153 HA ASP 23 HA ASP 23 6.686 10.099 2.929
154 1HB ASP 23 HB2 ASP 23 4.986 11.263 4.220
155 2HB ASP 23 HB1 ASP 23 4.905 9.941 5.377
156 H ARG 24 HN ARG 24 5.588 7.104 4.164
157 HA ARG 24 HA ARG 24 7.992 6.612 5.747
158 1HB ARG 24 HB2 ARG 24 5.510 4.982 5.276
159 2HB ARG 24 HB1 ARG 24 6.843 4.483 6.303
160 1HG ARG 24 HG2 ARG 24 6.440 6.341 7.788
161 2HG ARG 24 HG1 ARG 24 5.171 6.954 6.725
162 1HD ARG 24 HD2 ARG 24 4.295 5.743 8.662
163 2HD ARG 24 HD1 ARG 24 3.813 5.032 7.136
164 HE ARG 24 HE ARG 24 5.611 3.357 7.488
165 1HH1 ARG 24 HH11 ARG 24 4.206 4.997 10.264
166 2HH1 ARG 24 HH12 ARG 24 4.570 3.703 11.332
167 1HH2 ARG 24 HH21 ARG 24 6.090 1.675 8.925
168 2HH2 ARG 24 HH22 ARG 24 5.635 1.817 10.590
169 H GLY 25 HN GLY 25 8.181 6.898 2.809
170 1HA GLY 25 HA2 GLY 25 9.726 6.023 1.403
171 2HA GLY 25 HA1 GLY 25 9.897 4.639 2.465
172 H TYR 26 HN TYR 26 6.692 4.643 2.010
173 HA TYR 26 HA TYR 26 6.616 2.456 0.290
174 1HB TYR 26 HB2 TYR 26 4.391 4.432 0.808
175 2HB TYR 26 HB1 TYR 26 4.214 2.794 0.203
176 HD1 TYR 26 HD1 TYR 26 5.658 1.113 1.889
177 HD2 TYR 26 HD2 TYR 26 3.603 4.597 2.960
178 HE1 TYR 26 HE1 TYR 26 5.448 0.222 4.164
179 HE2 TYR 26 HE2 TYR 26 3.360 3.773 5.260
180 HH TYR 26 HH TYR 26 5.101 1.466 6.579
181 H THR 27 HN THR 27 6.616 2.273 -1.904
182 HA THR 27 HA THR 27 6.835 4.780 -3.430
183 HB THR 27 HB THR 27 8.729 3.155 -3.556
184 HG1 THR 27 HG1 THR 27 8.560 4.483 -5.310
185 1HG2 THR 27 HG21 THR 27 8.530 1.093 -4.740
186 2HG2 THR 27 HG22 THR 27 6.837 1.392 -5.108
187 3HG2 THR 27 HG23 THR 27 7.339 1.082 -3.465
188 H GLY 28 HN GLY 28 4.972 1.801 -3.259
189 1HA GLY 28 HA2 GLY 28 3.292 2.733 -5.505
190 2HA GLY 28 HA1 GLY 28 3.467 1.072 -4.963
191 H SER 29 HN SER 29 1.062 2.729 -5.275
192 HA SER 29 HA SER 29 0.011 2.392 -2.533
193 1HB SER 29 HB2 SER 29 -0.563 4.744 -4.354
194 2HB SER 29 HB1 SER 29 -1.224 4.474 -2.738
195 HG SER 29 HG SER 29 0.656 5.912 -2.898
196 H CYS 30 HN CYS 30 -0.788 0.402 -3.317
197 HA CYS 30 HA CYS 30 -2.848 0.487 -5.414
198 1HB CYS 30 HB2 CYS 30 -2.023 -1.908 -3.771
199 2HB CYS 30 HB1 CYS 30 -2.787 -1.874 -5.348
200 H ARG 31 HN ARG 31 -4.994 -0.607 -4.846
201 HA ARG 31 HA ARG 31 -5.695 0.059 -2.057
202 1HB ARG 31 HB2 ARG 31 -7.176 1.151 -3.621
203 2HB ARG 31 HB1 ARG 31 -7.542 -0.389 -4.400
204 1HG ARG 31 HG2 ARG 31 -8.499 -1.207 -2.270
205 2HG ARG 31 HG1 ARG 31 -8.172 0.365 -1.547
206 1HD ARG 31 HD2 ARG 31 -9.702 1.404 -3.049
207 2HD ARG 31 HD1 ARG 31 -9.948 -0.098 -3.937
208 HE ARG 31 HE ARG 31 -10.753 -0.935 -1.596
209 1HH1 ARG 31 HH11 ARG 31 -11.355 2.259 -2.959
210 2HH1 ARG 31 HH12 ARG 31 -12.887 2.405 -2.196
211 1HH2 ARG 31 HH21 ARG 31 -12.798 -0.692 -0.603
212 2HH2 ARG 31 HH22 ARG 31 -13.713 0.755 -0.871
213 H TYR 32 HN TYR 32 -6.031 -1.490 -0.681
214 HA TYR 32 HA TYR 32 -6.277 -4.271 -1.617
215 1HB TYR 32 HB2 TYR 32 -4.637 -3.375 0.284
216 2HB TYR 32 HB1 TYR 32 -6.071 -3.486 1.284
217 HD1 TYR 32 HD1 TYR 32 -6.853 -5.631 2.052
218 HD2 TYR 32 HD2 TYR 32 -3.786 -5.403 -0.869
219 HE1 TYR 32 HE1 TYR 32 -6.402 -8.031 2.344
220 HE2 TYR 32 HE2 TYR 32 -3.298 -7.788 -0.572
221 HH TYR 32 HH TYR 32 -5.065 -9.900 0.428
222 H PHE 33 HN PHE 33 -8.092 -5.520 -0.720
223 HA PHE 33 HA PHE 33 -10.491 -4.237 -1.068
224 1HB PHE 33 HB2 PHE 33 -10.070 -6.718 -1.024
225 2HB PHE 33 HB1 PHE 33 -10.172 -6.660 0.713
226 HD1 PHE 33 HD1 PHE 33 -12.307 -6.494 1.812
227 HD2 PHE 33 HD2 PHE 33 -12.021 -6.146 -2.420
228 HE1 PHE 33 HE1 PHE 33 -14.749 -6.664 1.641
229 HE2 PHE 33 HE2 PHE 33 -14.463 -6.325 -2.602
230 HZ PHE 33 HZ PHE 33 -15.833 -6.583 -0.569
231 H LEU 34 HN LEU 34 -8.644 -4.448 1.924
232 HA LEU 34 HA LEU 34 -10.874 -3.230 3.407
233 1HB LEU 34 HB2 LEU 34 -8.403 -4.640 4.409
234 2HB LEU 34 HB1 LEU 34 -9.660 -3.961 5.418
235 HG LEU 34 HG LEU 34 -10.070 -6.268 5.387
236 1HD1 LEU 34 HD11 LEU 34 -12.239 -6.472 4.363
237 2HD1 LEU 34 HD12 LEU 34 -11.925 -5.090 3.319
238 3HD1 LEU 34 HD13 LEU 34 -12.066 -4.865 5.061
239 1HD2 LEU 34 HD21 LEU 34 -10.116 -6.374 2.410
240 2HD2 LEU 34 HD22 LEU 34 -9.997 -7.688 3.549
241 3HD2 LEU 34 HD23 LEU 34 -8.621 -6.620 3.290
242 H GLY 35 HN GLY 35 -8.209 -2.114 1.807
243 1HA GLY 35 HA2 GLY 35 -8.371 0.429 2.884
244 2HA GLY 35 HA1 GLY 35 -7.112 -0.396 3.778
245 H THR 36 HN THR 36 -5.610 1.163 2.951
246 HA THR 36 HA THR 36 -5.104 0.993 0.061
247 HB THR 36 HB THR 36 -3.967 2.931 2.097
248 HG1 THR 36 HG1 THR 36 -6.025 3.248 0.124
249 1HG2 THR 36 HG21 THR 36 -3.699 2.704 -0.902
250 2HG2 THR 36 HG22 THR 36 -2.422 2.785 0.304
251 3HG2 THR 36 HG23 THR 36 -3.415 4.198 -0.020
252 H CYS 37 HN CYS 37 -3.557 -0.231 -0.682
253 HA CYS 37 HA CYS 37 -1.680 -1.517 1.101
254 1HB CYS 37 HB2 CYS 37 -2.824 -2.863 -0.539
255 2HB CYS 37 HB1 CYS 37 -2.230 -1.842 -1.823
256 H CYS 38 HN CYS 38 -0.097 -0.138 1.703
257 HA CYS 38 HA CYS 38 1.222 1.475 -0.366
258 1HB CYS 38 HB2 CYS 38 1.476 1.500 2.647
259 2HB CYS 38 HB1 CYS 38 2.296 2.572 1.533
260 H THR 39 HN THR 39 2.795 0.455 -1.421
261 HA THR 39 HA THR 39 4.452 -1.469 0.055
262 HB THR 39 HB THR 39 4.728 -2.578 -2.215
263 HG1 THR 39 HG1 THR 39 2.407 -1.039 -2.886
264 1HG2 THR 39 HG21 THR 39 2.364 -2.576 -0.458
265 2HG2 THR 39 HG22 THR 39 3.341 -3.900 -1.081
266 3HG2 THR 39 HG23 THR 39 2.107 -3.198 -2.083
267 HA PRO 40 HA PRO 40 7.962 0.607 -1.841
268 1HB PRO 40 HB2 PRO 40 9.662 0.329 0.246
269 2HB PRO 40 HB1 PRO 40 8.475 1.601 0.138
270 1HG PRO 40 HG2 PRO 40 8.494 -0.685 1.934
271 2HG PRO 40 HG1 PRO 40 7.548 0.790 2.013
272 1HD PRO 40 HD2 PRO 40 6.828 -1.828 0.957
273 2HD PRO 40 HD1 PRO 40 5.758 -0.508 1.362
274 H ALA 41 HN ALA 41 9.541 -1.542 0.334
275 HA ALA 41 HA ALA 41 9.452 -3.849 -1.355
276 1HB ALA 41 HB1 ALA 41 11.880 -4.022 -1.622
277 2HB ALA 41 HB2 ALA 41 12.088 -2.444 -0.860
278 3HB ALA 41 HB3 ALA 41 11.263 -2.572 -2.412
279 H ASP 42 HN ASP 42 8.374 -3.523 1.081
280 HA ASP 42 HA ASP 42 10.284 -4.266 3.149
281 1HB ASP 42 HB2 ASP 42 8.424 -2.590 3.489
282 2HB ASP 42 HB1 ASP 42 7.287 -3.919 3.395
Start of MODEL 15
1 1H GLY 1 HT1 GLY 1 1.886 -7.068 11.181
2 2H GLY 1 HT2 GLY 1 1.873 -5.498 10.545
3 3H GLY 1 HT3 GLY 1 3.304 -6.147 11.168
4 1HA GLY 1 HA1 GLY 1 3.364 -6.171 8.773
5 2HA GLY 1 HA2 GLY 1 3.379 -7.799 9.433
6 H THR 2 HN THR 2 0.976 -5.333 8.440
7 HA THR 2 HA THR 2 -0.834 -7.421 7.533
8 HB THR 2 HB THR 2 -2.122 -5.338 6.680
9 HG1 THR 2 HG1 THR 2 -1.468 -3.390 7.372
10 1HG2 THR 2 HG21 THR 2 -2.222 -6.695 9.015
11 2HG2 THR 2 HG22 THR 2 -3.293 -5.384 8.563
12 3HG2 THR 2 HG23 THR 2 -1.893 -5.052 9.570
13 H ALA 3 HN ALA 3 0.161 -8.491 5.961
14 HA ALA 3 HA ALA 3 1.899 -7.388 4.112
15 1HB ALA 3 HB1 ALA 3 1.960 -9.583 3.096
16 2HB ALA 3 HB2 ALA 3 0.482 -10.040 3.949
17 3HB ALA 3 HB3 ALA 3 1.955 -9.702 4.855
18 H CYS 4 HN CYS 4 1.744 -6.582 2.162
19 HA CYS 4 HA CYS 4 -0.560 -7.181 0.470
20 1HB CYS 4 HB2 CYS 4 -1.055 -4.995 1.520
21 2HB CYS 4 HB1 CYS 4 0.459 -4.356 0.896
22 H SER 5 HN SER 5 -0.033 -6.979 -1.797
23 HA SER 5 HA SER 5 2.810 -6.533 -2.391
24 1HB SER 5 HB2 SER 5 1.315 -9.034 -3.216
25 2HB SER 5 HB1 SER 5 2.999 -8.635 -3.570
26 HG SER 5 HG SER 5 1.818 -9.323 -1.103
27 H CYS 6 HN CYS 6 3.162 -5.591 -4.278
28 HA CYS 6 HA CYS 6 1.002 -5.510 -6.290
29 1HB CYS 6 HB2 CYS 6 2.761 -3.179 -5.481
30 2HB CYS 6 HB1 CYS 6 1.534 -3.178 -6.743
31 H GLY 7 HN GLY 7 2.182 -7.246 -7.261
32 1HA GLY 7 HA2 GLY 7 3.554 -8.050 -8.877
33 2HA GLY 7 HA1 GLY 7 3.930 -6.386 -9.294
34 H ASN 8 HN ASN 8 5.890 -5.603 -8.793
35 HA ASN 8 HA ASN 8 7.824 -7.490 -7.706
36 1HB ASN 8 HB2 ASN 8 8.233 -6.150 -9.783
37 2HB ASN 8 HB1 ASN 8 8.267 -4.694 -8.795
38 1HD2 ASN 8 HD21 ASN 8 10.395 -4.217 -9.327
39 2HD2 ASN 8 HD22 ASN 8 11.719 -5.157 -8.738
40 H SER 9 HN SER 9 5.918 -4.892 -6.564
41 HA SER 9 HA SER 9 7.807 -4.259 -4.408
42 1HB SER 9 HB2 SER 9 5.201 -2.916 -5.158
43 2HB SER 9 HB1 SER 9 6.409 -2.329 -4.009
44 HG SER 9 HG SER 9 7.787 -1.916 -5.656
45 H LYS 10 HN LYS 10 7.395 -4.692 -2.298
46 HA LYS 10 HA LYS 10 4.823 -6.011 -1.612
47 1HB LYS 10 HB2 LYS 10 7.541 -6.685 -0.427
48 2HB LYS 10 HB1 LYS 10 6.002 -7.430 -0.031
49 1HG LYS 10 HG2 LYS 10 6.995 -8.992 -1.388
50 2HG LYS 10 HG1 LYS 10 5.924 -8.144 -2.505
51 1HD LYS 10 HD2 LYS 10 7.845 -6.800 -3.279
52 2HD LYS 10 HD1 LYS 10 8.885 -7.649 -2.156
53 1HE LYS 10 HE2 LYS 10 7.345 -8.928 -4.408
54 2HE LYS 10 HE1 LYS 10 9.043 -8.463 -4.474
55 1HZ LYS 10 HZ1 LYS 10 7.834 -10.498 -2.686
56 2HZ LYS 10 HZ2 LYS 10 9.445 -9.987 -2.587
57 3HZ LYS 10 HZ3 LYS 10 8.888 -10.773 -3.976
58 H GLY 11 HN GLY 11 3.984 -5.436 0.446
59 1HA GLY 11 HA2 GLY 11 5.444 -3.759 2.232
60 2HA GLY 11 HA1 GLY 11 4.418 -2.821 1.202
61 H ILE 12 HN ILE 12 3.249 -2.063 2.897
62 HA ILE 12 HA ILE 12 1.635 -4.015 4.401
63 HB ILE 12 HB ILE 12 2.774 -1.350 5.257
64 1HG1 ILE 12 HG12 ILE 12 4.478 -3.091 5.151
65 2HG1 ILE 12 HG11 ILE 12 4.138 -2.674 6.826
66 1HG2 ILE 12 HG21 ILE 12 1.076 -3.301 6.774
67 2HG2 ILE 12 HG22 ILE 12 0.655 -1.648 6.344
68 3HG2 ILE 12 HG23 ILE 12 1.931 -1.957 7.513
69 1HD1 ILE 12 HD11 ILE 12 3.203 -5.121 5.339
70 2HD1 ILE 12 HD12 ILE 12 2.695 -4.695 6.973
71 3HD1 ILE 12 HD13 ILE 12 4.386 -5.039 6.638
72 H TYR 13 HN TYR 13 -0.560 -3.653 4.610
73 HA TYR 13 HA TYR 13 -1.566 -1.280 3.181
74 1HB TYR 13 HB2 TYR 13 -3.495 -2.399 2.594
75 2HB TYR 13 HB1 TYR 13 -2.255 -3.615 2.402
76 HD1 TYR 13 HD1 TYR 13 -5.259 -2.649 4.195
77 HD2 TYR 13 HD2 TYR 13 -2.086 -5.492 4.042
78 HE1 TYR 13 HE1 TYR 13 -6.540 -4.172 5.619
79 HE2 TYR 13 HE2 TYR 13 -3.388 -7.019 5.459
80 HH TYR 13 HH TYR 13 -5.427 -6.563 7.294
81 H TRP 14 HN TRP 14 -2.925 0.110 4.108
82 HA TRP 14 HA TRP 14 -3.113 -0.004 7.037
83 1HB TRP 14 HB2 TRP 14 -3.281 2.280 5.054
84 2HB TRP 14 HB1 TRP 14 -3.547 2.465 6.785
85 HD1 TRP 14 HD1 TRP 14 -0.680 0.925 4.607
86 HE1 TRP 14 HE1 TRP 14 1.564 1.696 5.613
87 HE3 TRP 14 HE3 TRP 14 -2.443 3.736 8.493
88 HZ2 TRP 14 HZ2 TRP 14 2.458 3.294 7.756
89 HZ3 TRP 14 HZ3 TRP 14 -0.833 4.862 9.969
90 HH2 TRP 14 HH2 TRP 14 1.570 4.644 9.605
91 H PHE 15 HN PHE 15 -5.042 0.130 8.083
92 HA PHE 15 HA PHE 15 -7.292 -0.841 6.618
93 1HB PHE 15 HB2 PHE 15 -6.933 -0.108 9.525
94 2HB PHE 15 HB1 PHE 15 -8.421 -0.794 8.883
95 HD1 PHE 15 HD1 PHE 15 -4.926 -1.463 9.745
96 HD2 PHE 15 HD2 PHE 15 -8.529 -3.099 8.158
97 HE1 PHE 15 HE1 PHE 15 -4.029 -3.729 10.042
98 HE2 PHE 15 HE2 PHE 15 -7.631 -5.364 8.456
99 HZ PHE 15 HZ PHE 15 -5.381 -5.684 9.399
100 H TYR 16 HN TYR 16 -8.583 0.385 5.492
101 HA TYR 16 HA TYR 16 -9.692 2.144 4.645
102 1HB TYR 16 HB2 TYR 16 -11.560 2.876 6.016
103 2HB TYR 16 HB1 TYR 16 -11.312 1.144 6.135
104 HD1 TYR 16 HD1 TYR 16 -10.723 0.113 8.239
105 HD2 TYR 16 HD2 TYR 16 -11.070 4.344 7.933
106 HE1 TYR 16 HE1 TYR 16 -10.735 0.290 10.689
107 HE2 TYR 16 HE2 TYR 16 -11.067 4.532 10.371
108 HH TYR 16 HH TYR 16 -10.008 2.641 12.369
109 H ARG 17 HN ARG 17 -7.043 2.964 5.732
110 HA ARG 17 HA ARG 17 -7.648 5.683 6.598
111 1HB ARG 17 HB2 ARG 17 -5.148 4.053 6.714
112 2HB ARG 17 HB1 ARG 17 -5.151 5.793 6.949
113 1HG ARG 17 HG2 ARG 17 -6.884 5.387 8.777
114 2HG ARG 17 HG1 ARG 17 -6.464 3.686 8.627
115 1HD ARG 17 HD2 ARG 17 -5.228 4.728 10.420
116 2HD ARG 17 HD1 ARG 17 -4.165 4.167 9.159
117 HE ARG 17 HE ARG 17 -3.970 6.457 8.378
118 1HH1 ARG 17 HH11 ARG 17 -5.014 5.959 11.693
119 2HH1 ARG 17 HH12 ARG 17 -4.674 7.578 12.151
120 1HH2 ARG 17 HH21 ARG 17 -3.556 8.607 9.001
121 2HH2 ARG 17 HH22 ARG 17 -3.845 9.086 10.639
122 HA PRO 18 HA PRO 18 -6.481 6.903 2.406
123 1HB PRO 18 HB2 PRO 18 -7.692 9.457 2.902
124 2HB PRO 18 HB1 PRO 18 -8.332 8.107 1.974
125 1HG PRO 18 HG2 PRO 18 -9.356 9.056 4.373
126 2HG PRO 18 HG1 PRO 18 -9.713 7.482 3.645
127 1HD PRO 18 HD2 PRO 18 -7.819 8.174 5.845
128 2HD PRO 18 HD1 PRO 18 -8.845 6.748 5.615
129 H SER 19 HN SER 19 -4.735 7.049 4.789
130 HA SER 19 HA SER 19 -3.213 9.427 4.049
131 1HB SER 19 HB2 SER 19 -2.622 9.583 6.556
132 2HB SER 19 HB1 SER 19 -4.201 10.168 6.041
133 HG SER 19 HG SER 19 -3.718 7.583 7.099
134 H CYS 20 HN CYS 20 -1.697 8.316 2.938
135 HA CYS 20 HA CYS 20 -0.263 6.152 4.332
136 1HB CYS 20 HB2 CYS 20 -1.211 5.616 2.127
137 2HB CYS 20 HB1 CYS 20 -0.224 6.874 1.404
138 HA PRO 21 HA PRO 21 2.659 9.546 4.792
139 1HB PRO 21 HB2 PRO 21 4.067 8.504 6.839
140 2HB PRO 21 HB1 PRO 21 2.437 9.148 7.041
141 1HG PRO 21 HG2 PRO 21 3.325 6.308 6.826
142 2HG PRO 21 HG1 PRO 21 2.092 7.024 7.878
143 1HD PRO 21 HD2 PRO 21 1.573 5.686 5.510
144 2HD PRO 21 HD1 PRO 21 0.475 6.845 6.285
145 H THR 22 HN THR 22 4.705 9.940 4.129
146 HA THR 22 HA THR 22 6.087 7.886 2.618
147 HB THR 22 HB THR 22 5.947 10.160 1.703
148 HG1 THR 22 HG1 THR 22 8.019 10.248 1.028
149 1HG2 THR 22 HG21 THR 22 7.461 11.908 2.837
150 2HG2 THR 22 HG22 THR 22 7.240 10.960 4.298
151 3HG2 THR 22 HG23 THR 22 5.846 11.639 3.469
152 H ASP 23 HN ASP 23 6.024 6.911 5.032
153 HA ASP 23 HA ASP 23 8.440 7.668 6.513
154 1HB ASP 23 HB2 ASP 23 6.478 7.630 7.862
155 2HB ASP 23 HB1 ASP 23 5.983 6.066 7.222
156 H ARG 24 HN ARG 24 6.803 4.842 5.126
157 HA ARG 24 HA ARG 24 9.096 3.153 5.784
158 1HB ARG 24 HB2 ARG 24 6.359 2.606 4.716
159 2HB ARG 24 HB1 ARG 24 7.543 1.344 4.872
160 1HG ARG 24 HG2 ARG 24 6.686 3.049 7.202
161 2HG ARG 24 HG1 ARG 24 5.829 1.587 6.734
162 1HD ARG 24 HD2 ARG 24 8.744 1.759 7.481
163 2HD ARG 24 HD1 ARG 24 7.446 1.126 8.496
164 HE ARG 24 HE ARG 24 7.341 -0.331 6.145
165 1HH1 ARG 24 HH11 ARG 24 9.652 0.189 8.743
166 2HH1 ARG 24 HH12 ARG 24 10.425 -1.335 8.510
167 1HH2 ARG 24 HH21 ARG 24 8.402 -2.321 5.836
168 2HH2 ARG 24 HH22 ARG 24 9.721 -2.771 6.853
169 H GLY 25 HN GLY 25 9.307 5.203 3.608
170 1HA GLY 25 HA2 GLY 25 10.177 5.370 1.522
171 2HA GLY 25 HA1 GLY 25 10.854 3.781 1.834
172 H TYR 26 HN TYR 26 7.398 4.251 1.816
173 HA TYR 26 HA TYR 26 6.747 2.269 0.033
174 1HB TYR 26 HB2 TYR 26 5.284 4.855 0.577
175 2HB TYR 26 HB1 TYR 26 4.586 3.475 -0.262
176 HD1 TYR 26 HD1 TYR 26 4.361 5.061 2.684
177 HD2 TYR 26 HD2 TYR 26 5.228 1.186 1.233
178 HE1 TYR 26 HE1 TYR 26 3.593 4.107 4.815
179 HE2 TYR 26 HE2 TYR 26 4.471 0.196 3.355
180 HH TYR 26 HH TYR 26 4.146 0.868 5.712
181 H THR 27 HN THR 27 6.889 2.033 -2.129
182 HA THR 27 HA THR 27 7.621 4.426 -3.699
183 HB THR 27 HB THR 27 9.312 2.581 -3.626
184 HG1 THR 27 HG1 THR 27 9.435 3.859 -5.414
185 1HG2 THR 27 HG21 THR 27 7.670 0.700 -3.571
186 2HG2 THR 27 HG22 THR 27 8.931 0.521 -4.767
187 3HG2 THR 27 HG23 THR 27 7.318 1.015 -5.261
188 H GLY 28 HN GLY 28 5.207 2.007 -3.265
189 1HA GLY 28 HA2 GLY 28 3.725 3.142 -5.542
190 2HA GLY 28 HA1 GLY 28 3.904 1.399 -5.389
191 H SER 29 HN SER 29 1.424 2.484 -5.476
192 HA SER 29 HA SER 29 0.444 1.823 -2.801
193 1HB SER 29 HB2 SER 29 0.582 4.324 -2.978
194 2HB SER 29 HB1 SER 29 -0.569 4.250 -4.311
195 HG SER 29 HG SER 29 -0.960 3.615 -1.586
196 H CYS 30 HN CYS 30 -1.375 0.632 -2.831
197 HA CYS 30 HA CYS 30 -2.854 0.296 -5.364
198 1HB CYS 30 HB2 CYS 30 -1.881 -1.966 -3.606
199 2HB CYS 30 HB1 CYS 30 -2.808 -2.118 -5.083
200 H ARG 31 HN ARG 31 -4.822 -1.250 -4.812
201 HA ARG 31 HA ARG 31 -6.061 -0.177 -2.355
202 1HB ARG 31 HB2 ARG 31 -7.366 0.366 -4.277
203 2HB ARG 31 HB1 ARG 31 -7.254 -1.274 -4.897
204 1HG ARG 31 HG2 ARG 31 -9.441 -0.910 -4.002
205 2HG ARG 31 HG1 ARG 31 -8.609 -2.070 -2.981
206 1HD ARG 31 HD2 ARG 31 -8.002 -0.053 -1.515
207 2HD ARG 31 HD1 ARG 31 -9.187 0.821 -2.452
208 HE ARG 31 HE ARG 31 -9.732 -1.561 -0.778
209 1HH1 ARG 31 HH11 ARG 31 -10.809 1.474 -2.209
210 2HH1 ARG 31 HH12 ARG 31 -12.346 1.405 -1.447
211 1HH2 ARG 31 HH21 ARG 31 -11.787 -1.613 0.213
212 2HH2 ARG 31 HH22 ARG 31 -12.913 -0.330 -0.078
213 H TYR 32 HN TYR 32 -6.623 -1.527 -0.734
214 HA TYR 32 HA TYR 32 -6.411 -4.437 -1.235
215 1HB TYR 32 HB2 TYR 32 -4.668 -3.199 0.312
216 2HB TYR 32 HB1 TYR 32 -5.961 -3.238 1.490
217 HD1 TYR 32 HD1 TYR 32 -6.790 -5.435 2.335
218 HD2 TYR 32 HD2 TYR 32 -3.495 -5.185 -0.301
219 HE1 TYR 32 HE1 TYR 32 -6.137 -7.718 2.949
220 HE2 TYR 32 HE2 TYR 32 -2.801 -7.460 0.306
221 HH TYR 32 HH TYR 32 -4.427 -9.632 1.388
222 H PHE 33 HN PHE 33 -7.865 -5.725 -0.026
223 HA PHE 33 HA PHE 33 -10.475 -5.084 -0.247
224 1HB PHE 33 HB2 PHE 33 -9.461 -6.848 1.980
225 2HB PHE 33 HB1 PHE 33 -11.019 -6.942 1.178
226 HD1 PHE 33 HD1 PHE 33 -7.719 -8.181 1.272
227 HD2 PHE 33 HD2 PHE 33 -10.957 -7.422 -1.381
228 HE1 PHE 33 HE1 PHE 33 -6.756 -9.764 -0.338
229 HE2 PHE 33 HE2 PHE 33 -10.006 -9.014 -2.994
230 HZ PHE 33 HZ PHE 33 -7.904 -10.186 -2.475
231 H LEU 34 HN LEU 34 -8.558 -4.582 2.714
232 HA LEU 34 HA LEU 34 -10.887 -3.434 4.034
233 1HB LEU 34 HB2 LEU 34 -8.145 -4.055 5.057
234 2HB LEU 34 HB1 LEU 34 -9.417 -3.400 6.042
235 HG LEU 34 HG LEU 34 -9.445 -5.657 6.571
236 1HD1 LEU 34 HD11 LEU 34 -11.524 -6.495 5.797
237 2HD1 LEU 34 HD12 LEU 34 -11.463 -5.513 4.336
238 3HD1 LEU 34 HD13 LEU 34 -11.672 -4.744 5.912
239 1HD2 LEU 34 HD21 LEU 34 -7.911 -6.347 4.719
240 2HD2 LEU 34 HD22 LEU 34 -9.315 -6.422 3.674
241 3HD2 LEU 34 HD23 LEU 34 -9.213 -7.481 5.060
242 H GLY 35 HN GLY 35 -8.307 -2.183 2.210
243 1HA GLY 35 HA2 GLY 35 -9.121 0.425 2.473
244 2HA GLY 35 HA1 GLY 35 -7.937 0.200 3.743
245 H THR 36 HN THR 36 -6.210 1.273 3.113
246 HA THR 36 HA THR 36 -5.525 1.373 0.284
247 HB THR 36 HB THR 36 -4.202 2.845 2.597
248 HG1 THR 36 HG1 THR 36 -6.430 3.650 0.980
249 1HG2 THR 36 HG21 THR 36 -4.326 3.366 -0.379
250 2HG2 THR 36 HG22 THR 36 -2.903 2.897 0.554
251 3HG2 THR 36 HG23 THR 36 -3.650 4.469 0.818
252 H CYS 37 HN CYS 37 -3.701 0.512 -0.610
253 HA CYS 37 HA CYS 37 -1.946 -1.038 1.185
254 1HB CYS 37 HB2 CYS 37 -2.966 -2.461 -0.414
255 2HB CYS 37 HB1 CYS 37 -2.584 -1.382 -1.718
256 H CYS 38 HN CYS 38 0.095 -0.407 1.424
257 HA CYS 38 HA CYS 38 1.224 1.472 -0.563
258 1HB CYS 38 HB2 CYS 38 1.613 1.515 2.439
259 2HB CYS 38 HB1 CYS 38 2.407 2.553 1.268
260 H THR 39 HN THR 39 2.872 0.545 -1.590
261 HA THR 39 HA THR 39 4.316 -1.592 -0.194
262 HB THR 39 HB THR 39 4.663 -2.454 -2.627
263 HG1 THR 39 HG1 THR 39 2.242 -0.972 -3.000
264 1HG2 THR 39 HG21 THR 39 3.159 -4.008 -2.114
265 2HG2 THR 39 HG22 THR 39 1.865 -2.847 -1.973
266 3HG2 THR 39 HG23 THR 39 2.919 -3.133 -0.605
267 HA PRO 40 HA PRO 40 8.093 0.303 -1.671
268 1HB PRO 40 HB2 PRO 40 9.548 -0.095 0.561
269 2HB PRO 40 HB1 PRO 40 8.414 1.208 0.404
270 1HG PRO 40 HG2 PRO 40 8.170 -1.175 2.059
271 2HG PRO 40 HG1 PRO 40 7.336 0.370 2.181
272 1HD PRO 40 HD2 PRO 40 6.448 -2.079 0.939
273 2HD PRO 40 HD1 PRO 40 5.509 -0.648 1.292
274 H ALA 41 HN ALA 41 9.519 -1.884 0.525
275 HA ALA 41 HA ALA 41 9.389 -4.158 -1.295
276 1HB ALA 41 HB1 ALA 41 11.773 -4.571 -1.079
277 2HB ALA 41 HB2 ALA 41 11.962 -3.103 -0.117
278 3HB ALA 41 HB3 ALA 41 11.485 -2.992 -1.810
279 H ASP 42 HN ASP 42 8.695 -2.985 1.583
280 HA ASP 42 HA ASP 42 8.699 -5.504 2.956
281 1HB ASP 42 HB2 ASP 42 10.523 -3.241 3.755
282 2HB ASP 42 HB1 ASP 42 9.853 -4.306 4.985
Start of MODEL 16
1 1H GLY 1 HT1 GLY 1 -0.265 -10.000 10.564
2 2H GLY 1 HT2 GLY 1 1.308 -10.430 11.007
3 3H GLY 1 HT3 GLY 1 0.683 -10.944 9.523
4 1HA GLY 1 HA1 GLY 1 1.256 -8.140 10.308
5 2HA GLY 1 HA2 GLY 1 2.232 -9.120 9.220
6 H THR 2 HN THR 2 0.237 -6.638 9.127
7 HA THR 2 HA THR 2 -1.625 -7.489 7.091
8 HB THR 2 HB THR 2 -2.127 -4.973 6.990
9 HG1 THR 2 HG1 THR 2 0.173 -4.706 8.150
10 1HG2 THR 2 HG21 THR 2 -3.438 -6.511 8.375
11 2HG2 THR 2 HG22 THR 2 -3.248 -4.937 9.145
12 3HG2 THR 2 HG23 THR 2 -2.280 -6.305 9.691
13 H ALA 3 HN ALA 3 0.683 -8.246 6.091
14 HA ALA 3 HA ALA 3 1.850 -6.186 4.439
15 1HB ALA 3 HB1 ALA 3 3.291 -7.806 5.549
16 2HB ALA 3 HB2 ALA 3 3.447 -7.902 3.796
17 3HB ALA 3 HB3 ALA 3 2.507 -9.116 4.668
18 H CYS 4 HN CYS 4 1.764 -6.110 2.234
19 HA CYS 4 HA CYS 4 0.126 -8.100 0.823
20 1HB CYS 4 HB2 CYS 4 -1.036 -6.253 -0.393
21 2HB CYS 4 HB1 CYS 4 -1.459 -6.372 1.306
22 H SER 5 HN SER 5 0.562 -8.203 -1.429
23 HA SER 5 HA SER 5 3.166 -6.990 -2.144
24 1HB SER 5 HB2 SER 5 2.054 -9.660 -3.031
25 2HB SER 5 HB1 SER 5 3.644 -8.994 -3.413
26 HG SER 5 HG SER 5 4.264 -9.261 -1.323
27 H CYS 6 HN CYS 6 3.336 -5.948 -4.013
28 HA CYS 6 HA CYS 6 1.149 -6.130 -5.987
29 1HB CYS 6 HB2 CYS 6 2.480 -3.607 -4.975
30 2HB CYS 6 HB1 CYS 6 1.457 -3.681 -6.406
31 H GLY 7 HN GLY 7 2.592 -7.643 -6.999
32 1HA GLY 7 HA2 GLY 7 3.967 -8.130 -8.741
33 2HA GLY 7 HA1 GLY 7 4.115 -6.407 -9.047
34 H ASN 8 HN ASN 8 5.980 -5.412 -8.530
35 HA ASN 8 HA ASN 8 8.136 -7.077 -7.424
36 1HB ASN 8 HB2 ASN 8 9.651 -5.424 -8.292
37 2HB ASN 8 HB1 ASN 8 8.493 -5.832 -9.552
38 1HD2 ASN 8 HD21 ASN 8 10.155 -3.423 -9.184
39 2HD2 ASN 8 HD22 ASN 8 9.038 -2.106 -9.169
40 H SER 9 HN SER 9 5.898 -4.780 -6.365
41 HA SER 9 HA SER 9 7.712 -3.721 -4.313
42 1HB SER 9 HB2 SER 9 4.939 -2.768 -5.064
43 2HB SER 9 HB1 SER 9 6.138 -1.937 -4.068
44 HG SER 9 HG SER 9 6.000 -1.230 -6.304
45 H LYS 10 HN LYS 10 7.562 -4.464 -2.281
46 HA LYS 10 HA LYS 10 5.053 -5.794 -1.447
47 1HB LYS 10 HB2 LYS 10 6.639 -7.485 -1.350
48 2HB LYS 10 HB1 LYS 10 7.937 -6.394 -0.869
49 1HG LYS 10 HG2 LYS 10 6.935 -6.150 1.324
50 2HG LYS 10 HG1 LYS 10 5.603 -7.201 0.850
51 1HD LYS 10 HD2 LYS 10 7.247 -9.022 0.514
52 2HD LYS 10 HD1 LYS 10 8.521 -7.937 1.082
53 1HE LYS 10 HE2 LYS 10 6.076 -8.663 2.697
54 2HE LYS 10 HE1 LYS 10 7.622 -9.500 2.809
55 1HZ LYS 10 HZ1 LYS 10 8.649 -7.366 3.426
56 2HZ LYS 10 HZ2 LYS 10 7.480 -7.879 4.531
57 3HZ LYS 10 HZ3 LYS 10 7.111 -6.652 3.436
58 H GLY 11 HN GLY 11 4.106 -5.076 0.413
59 1HA GLY 11 HA2 GLY 11 5.521 -3.417 2.292
60 2HA GLY 11 HA1 GLY 11 4.437 -2.504 1.267
61 H ILE 12 HN ILE 12 3.087 -1.902 2.906
62 HA ILE 12 HA ILE 12 1.584 -4.055 4.279
63 HB ILE 12 HB ILE 12 2.451 -1.375 5.403
64 1HG1 ILE 12 HG12 ILE 12 4.377 -2.859 5.146
65 2HG1 ILE 12 HG11 ILE 12 3.974 -2.662 6.844
66 1HG2 ILE 12 HG21 ILE 12 1.669 -2.318 7.558
67 2HG2 ILE 12 HG22 ILE 12 1.024 -3.689 6.676
68 3HG2 ILE 12 HG23 ILE 12 0.375 -2.085 6.390
69 1HD1 ILE 12 HD11 ILE 12 2.801 -4.862 6.750
70 2HD1 ILE 12 HD12 ILE 12 4.531 -4.937 6.449
71 3HD1 ILE 12 HD13 ILE 12 3.407 -5.041 5.112
72 H TYR 13 HN TYR 13 -0.633 -3.817 4.357
73 HA TYR 13 HA TYR 13 -1.703 -1.470 2.991
74 1HB TYR 13 HB2 TYR 13 -3.686 -2.588 2.603
75 2HB TYR 13 HB1 TYR 13 -2.495 -3.849 2.430
76 HD1 TYR 13 HD1 TYR 13 -5.252 -2.584 4.484
77 HD2 TYR 13 HD2 TYR 13 -2.343 -5.675 4.047
78 HE1 TYR 13 HE1 TYR 13 -6.469 -3.965 6.111
79 HE2 TYR 13 HE2 TYR 13 -3.569 -7.058 5.665
80 HH TYR 13 HH TYR 13 -5.540 -6.117 7.785
81 H TRP 14 HN TRP 14 -2.825 0.070 3.964
82 HA TRP 14 HA TRP 14 -2.972 -0.049 6.906
83 1HB TRP 14 HB2 TRP 14 -2.709 2.298 5.003
84 2HB TRP 14 HB1 TRP 14 -2.935 2.397 6.744
85 HD1 TRP 14 HD1 TRP 14 -0.366 0.679 4.411
86 HE1 TRP 14 HE1 TRP 14 1.956 0.939 5.488
87 HE3 TRP 14 HE3 TRP 14 -1.731 3.200 8.636
88 HZ2 TRP 14 HZ2 TRP 14 3.063 2.091 7.821
89 HZ3 TRP 14 HZ3 TRP 14 0.019 3.854 10.238
90 HH2 TRP 14 HH2 TRP 14 2.365 3.309 9.837
91 H PHE 15 HN PHE 15 -4.847 0.523 7.935
92 HA PHE 15 HA PHE 15 -7.245 0.242 6.355
93 1HB PHE 15 HB2 PHE 15 -6.750 0.647 9.303
94 2HB PHE 15 HB1 PHE 15 -8.367 0.587 8.626
95 HD1 PHE 15 HD1 PHE 15 -5.273 -1.363 9.141
96 HD2 PHE 15 HD2 PHE 15 -9.389 -1.459 8.043
97 HE1 PHE 15 HE1 PHE 15 -5.259 -3.816 9.301
98 HE2 PHE 15 HE2 PHE 15 -9.375 -3.909 8.202
99 HZ PHE 15 HZ PHE 15 -7.312 -5.093 8.831
100 H TYR 16 HN TYR 16 -8.061 1.887 5.264
101 HA TYR 16 HA TYR 16 -8.867 3.920 4.695
102 1HB TYR 16 HB2 TYR 16 -9.073 4.512 7.655
103 2HB TYR 16 HB1 TYR 16 -10.109 5.076 6.350
104 HD1 TYR 16 HD1 TYR 16 -9.540 2.517 8.809
105 HD2 TYR 16 HD2 TYR 16 -11.660 3.395 5.218
106 HE1 TYR 16 HE1 TYR 16 -11.084 0.673 9.275
107 HE2 TYR 16 HE2 TYR 16 -13.210 1.545 5.684
108 HH TYR 16 HH TYR 16 -13.877 0.300 8.241
109 H ARG 17 HN ARG 17 -6.346 4.204 4.182
110 HA ARG 17 HA ARG 17 -5.478 6.661 5.572
111 1HB ARG 17 HB2 ARG 17 -3.759 4.490 4.410
112 2HB ARG 17 HB1 ARG 17 -3.150 6.019 5.031
113 1HG ARG 17 HG2 ARG 17 -4.715 4.030 6.686
114 2HG ARG 17 HG1 ARG 17 -2.963 4.124 6.581
115 1HD ARG 17 HD2 ARG 17 -2.861 6.226 7.532
116 2HD ARG 17 HD1 ARG 17 -4.598 6.469 7.431
117 HE ARG 17 HE ARG 17 -4.654 4.422 9.011
118 1HH1 ARG 17 HH11 ARG 17 -2.185 6.932 9.108
119 2HH1 ARG 17 HH12 ARG 17 -2.037 6.859 10.818
120 1HH2 ARG 17 HH21 ARG 17 -4.430 4.354 11.267
121 2HH2 ARG 17 HH22 ARG 17 -3.299 5.405 12.053
122 HA PRO 18 HA PRO 18 -6.260 8.154 1.388
123 1HB PRO 18 HB2 PRO 18 -5.729 10.810 2.532
124 2HB PRO 18 HB1 PRO 18 -7.210 10.153 1.835
125 1HG PRO 18 HG2 PRO 18 -6.936 10.643 4.474
126 2HG PRO 18 HG1 PRO 18 -7.954 9.335 3.844
127 1HD PRO 18 HD2 PRO 18 -5.196 9.202 5.010
128 2HD PRO 18 HD1 PRO 18 -6.601 8.140 5.257
129 H SER 19 HN SER 19 -3.383 8.129 3.139
130 HA SER 19 HA SER 19 -1.840 8.761 0.784
131 1HB SER 19 HB2 SER 19 -1.447 10.313 3.364
132 2HB SER 19 HB1 SER 19 -0.413 10.405 1.935
133 HG SER 19 HG SER 19 -2.029 11.395 0.825
134 H CYS 20 HN CYS 20 0.097 7.702 0.759
135 HA CYS 20 HA CYS 20 0.515 5.741 2.870
136 1HB CYS 20 HB2 CYS 20 1.817 6.103 0.176
137 2HB CYS 20 HB1 CYS 20 2.237 4.834 1.319
138 HA PRO 21 HA PRO 21 3.502 8.260 5.073
139 1HB PRO 21 HB2 PRO 21 4.592 5.514 5.601
140 2HB PRO 21 HB1 PRO 21 4.310 6.852 6.711
141 1HG PRO 21 HG2 PRO 21 2.616 4.820 6.609
142 2HG PRO 21 HG1 PRO 21 2.033 6.483 6.809
143 1HD PRO 21 HD2 PRO 21 1.946 4.720 4.410
144 2HD PRO 21 HD1 PRO 21 0.810 5.978 4.939
145 H THR 22 HN THR 22 4.836 9.309 3.736
146 HA THR 22 HA THR 22 6.375 7.969 1.723
147 HB THR 22 HB THR 22 5.351 10.237 1.415
148 HG1 THR 22 HG1 THR 22 6.979 10.882 0.112
149 1HG2 THR 22 HG21 THR 22 7.628 11.285 3.076
150 2HG2 THR 22 HG22 THR 22 6.004 11.057 3.726
151 3HG2 THR 22 HG23 THR 22 6.271 12.172 2.391
152 H ASP 23 HN ASP 23 6.899 8.528 4.981
153 HA ASP 23 HA ASP 23 9.735 8.967 4.896
154 1HB ASP 23 HB2 ASP 23 9.601 8.702 7.348
155 2HB ASP 23 HB1 ASP 23 8.432 9.868 6.738
156 H ARG 24 HN ARG 24 7.595 6.213 4.933
157 HA ARG 24 HA ARG 24 9.854 4.387 5.418
158 1HB ARG 24 HB2 ARG 24 6.896 3.883 5.096
159 2HB ARG 24 HB1 ARG 24 8.097 2.599 5.190
160 1HG ARG 24 HG2 ARG 24 8.770 3.468 7.417
161 2HG ARG 24 HG1 ARG 24 7.449 4.634 7.315
162 1HD ARG 24 HD2 ARG 24 6.706 2.787 8.612
163 2HD ARG 24 HD1 ARG 24 5.865 2.751 7.084
164 HE ARG 24 HE ARG 24 7.280 0.934 6.364
165 1HH1 ARG 24 HH11 ARG 24 7.388 1.675 9.801
166 2HH1 ARG 24 HH12 ARG 24 7.917 0.101 10.234
167 1HH2 ARG 24 HH21 ARG 24 7.945 -1.166 7.009
168 2HH2 ARG 24 HH22 ARG 24 8.250 -1.517 8.663
169 H GLY 25 HN GLY 25 8.609 6.152 2.954
170 1HA GLY 25 HA2 GLY 25 9.154 6.205 0.777
171 2HA GLY 25 HA1 GLY 25 10.181 4.811 1.054
172 H TYR 26 HN TYR 26 6.711 4.711 1.754
173 HA TYR 26 HA TYR 26 6.252 2.446 0.170
174 1HB TYR 26 HB2 TYR 26 4.315 4.555 1.091
175 2HB TYR 26 HB1 TYR 26 3.843 3.041 0.334
176 HD1 TYR 26 HD1 TYR 26 4.227 4.612 3.413
177 HD2 TYR 26 HD2 TYR 26 4.891 0.899 1.524
178 HE1 TYR 26 HE1 TYR 26 4.202 3.502 5.601
179 HE2 TYR 26 HE2 TYR 26 4.881 -0.242 3.697
180 HH TYR 26 HH TYR 26 5.228 0.292 6.071
181 H THR 27 HN THR 27 6.248 2.247 -1.993
182 HA THR 27 HA THR 27 6.307 4.704 -3.554
183 HB THR 27 HB THR 27 6.868 1.862 -4.469
184 HG1 THR 27 HG1 THR 27 8.674 3.830 -3.416
185 1HG2 THR 27 HG21 THR 27 8.241 3.028 -6.166
186 2HG2 THR 27 HG22 THR 27 7.620 4.571 -5.583
187 3HG2 THR 27 HG23 THR 27 6.524 3.395 -6.310
188 H GLY 28 HN GLY 28 4.448 1.686 -3.423
189 1HA GLY 28 HA2 GLY 28 2.652 2.741 -5.515
190 2HA GLY 28 HA1 GLY 28 2.885 1.054 -5.093
191 H SER 29 HN SER 29 0.398 2.343 -5.302
192 HA SER 29 HA SER 29 -0.575 1.916 -2.551
193 1HB SER 29 HB2 SER 29 -1.509 4.158 -4.369
194 2HB SER 29 HB1 SER 29 -2.098 3.798 -2.744
195 HG SER 29 HG SER 29 0.490 4.068 -2.469
196 H CYS 30 HN CYS 30 -1.300 -0.109 -3.104
197 HA CYS 30 HA CYS 30 -3.186 -0.391 -5.338
198 1HB CYS 30 HB2 CYS 30 -2.203 -2.497 -3.398
199 2HB CYS 30 HB1 CYS 30 -3.036 -2.755 -4.919
200 H ARG 31 HN ARG 31 -5.382 -0.679 -5.024
201 HA ARG 31 HA ARG 31 -6.381 0.086 -2.424
202 1HB ARG 31 HB2 ARG 31 -7.326 0.802 -4.669
203 2HB ARG 31 HB1 ARG 31 -8.039 -0.799 -4.796
204 1HG ARG 31 HG2 ARG 31 -8.527 0.883 -2.352
205 2HG ARG 31 HG1 ARG 31 -9.393 1.218 -3.847
206 1HD ARG 31 HD2 ARG 31 -10.814 -0.429 -3.456
207 2HD ARG 31 HD1 ARG 31 -9.518 -1.598 -3.366
208 HE ARG 31 HE ARG 31 -9.626 -1.543 -1.088
209 1HH1 ARG 31 HH11 ARG 31 -11.430 1.198 -2.328
210 2HH1 ARG 31 HH12 ARG 31 -12.222 1.490 -0.827
211 1HH2 ARG 31 HH21 ARG 31 -10.673 -1.136 0.889
212 2HH2 ARG 31 HH22 ARG 31 -11.795 0.179 1.004
213 H TYR 32 HN TYR 32 -6.010 -1.483 -0.981
214 HA TYR 32 HA TYR 32 -6.603 -4.267 -1.536
215 1HB TYR 32 HB2 TYR 32 -4.682 -3.391 -0.125
216 2HB TYR 32 HB1 TYR 32 -5.844 -2.998 1.117
217 HD1 TYR 32 HD1 TYR 32 -4.008 -5.658 -0.568
218 HD2 TYR 32 HD2 TYR 32 -6.984 -4.826 2.346
219 HE1 TYR 32 HE1 TYR 32 -3.796 -7.942 0.297
220 HE2 TYR 32 HE2 TYR 32 -6.785 -7.119 3.202
221 HH TYR 32 HH TYR 32 -4.512 -8.960 3.000
222 H PHE 33 HN PHE 33 -8.204 -5.474 -0.408
223 HA PHE 33 HA PHE 33 -10.703 -4.427 -0.415
224 1HB PHE 33 HB2 PHE 33 -9.990 -6.855 -0.206
225 2HB PHE 33 HB1 PHE 33 -9.891 -6.606 1.520
226 HD1 PHE 33 HD1 PHE 33 -11.858 -6.663 2.860
227 HD2 PHE 33 HD2 PHE 33 -12.177 -6.564 -1.381
228 HE1 PHE 33 HE1 PHE 33 -14.256 -7.148 3.036
229 HE2 PHE 33 HE2 PHE 33 -14.577 -7.061 -1.210
230 HZ PHE 33 HZ PHE 33 -15.618 -7.353 1.000
231 H LEU 34 HN LEU 34 -8.584 -4.567 2.428
232 HA LEU 34 HA LEU 34 -10.599 -3.248 4.043
233 1HB LEU 34 HB2 LEU 34 -7.948 -4.440 4.770
234 2HB LEU 34 HB1 LEU 34 -9.015 -3.678 5.915
235 HG LEU 34 HG LEU 34 -9.459 -5.917 6.247
236 1HD1 LEU 34 HD11 LEU 34 -11.670 -6.331 5.433
237 2HD1 LEU 34 HD12 LEU 34 -11.471 -5.164 4.133
238 3HD1 LEU 34 HD13 LEU 34 -11.510 -4.619 5.808
239 1HD2 LEU 34 HD21 LEU 34 -9.361 -6.342 3.272
240 2HD2 LEU 34 HD22 LEU 34 -9.714 -7.574 4.461
241 3HD2 LEU 34 HD23 LEU 34 -8.140 -6.800 4.436
242 H GLY 35 HN GLY 35 -8.047 -2.169 2.120
243 1HA GLY 35 HA2 GLY 35 -8.404 0.462 2.763
244 2HA GLY 35 HA1 GLY 35 -7.170 -0.084 3.879
245 H THR 36 HN THR 36 -5.606 1.221 3.067
246 HA THR 36 HA THR 36 -5.011 1.171 0.217
247 HB THR 36 HB THR 36 -3.554 2.798 2.323
248 HG1 THR 36 HG1 THR 36 -6.061 3.436 1.076
249 1HG2 THR 36 HG21 THR 36 -2.650 2.803 0.040
250 2HG2 THR 36 HG22 THR 36 -3.314 4.377 0.477
251 3HG2 THR 36 HG23 THR 36 -4.225 3.301 -0.583
252 H CYS 37 HN CYS 37 -3.756 -0.484 -0.430
253 HA CYS 37 HA CYS 37 -1.716 -1.639 1.250
254 1HB CYS 37 HB2 CYS 37 -2.880 -3.149 -0.157
255 2HB CYS 37 HB1 CYS 37 -2.542 -2.187 -1.571
256 H CYS 38 HN CYS 38 -0.173 -0.140 1.659
257 HA CYS 38 HA CYS 38 0.997 1.350 -0.548
258 1HB CYS 38 HB2 CYS 38 1.599 1.431 2.409
259 2HB CYS 38 HB1 CYS 38 2.187 2.539 1.194
260 H THR 39 HN THR 39 2.578 0.426 -1.691
261 HA THR 39 HA THR 39 4.296 -1.550 -0.356
262 HB THR 39 HB THR 39 4.453 -2.458 -2.795
263 HG1 THR 39 HG1 THR 39 1.880 -1.227 -2.931
264 1HG2 THR 39 HG21 THR 39 3.507 -4.018 -1.525
265 2HG2 THR 39 HG22 THR 39 2.021 -3.468 -2.267
266 3HG2 THR 39 HG23 THR 39 2.463 -2.881 -0.674
267 HA PRO 40 HA PRO 40 7.731 0.578 -2.321
268 1HB PRO 40 HB2 PRO 40 9.365 0.664 -0.169
269 2HB PRO 40 HB1 PRO 40 8.043 1.762 -0.396
270 1HG PRO 40 HG2 PRO 40 8.254 -0.383 1.551
271 2HG PRO 40 HG1 PRO 40 7.194 1.019 1.544
272 1HD PRO 40 HD2 PRO 40 6.678 -1.693 0.629
273 2HD PRO 40 HD1 PRO 40 5.524 -0.432 0.938
274 H ALA 41 HN ALA 41 9.530 -1.104 0.027
275 HA ALA 41 HA ALA 41 9.663 -3.637 -1.344
276 1HB ALA 41 HB1 ALA 41 12.112 -3.560 -1.522
277 2HB ALA 41 HB2 ALA 41 12.104 -1.881 -0.975
278 3HB ALA 41 HB3 ALA 41 11.363 -2.311 -2.515
279 H ASP 42 HN ASP 42 8.544 -2.795 1.045
280 HA ASP 42 HA ASP 42 10.471 -3.274 3.173
281 1HB ASP 42 HB2 ASP 42 8.952 -1.324 3.246
282 2HB ASP 42 HB1 ASP 42 7.565 -2.406 3.289
Start of MODEL 17
1 1H GLY 1 HT1 GLY 1 0.623 -9.602 10.538
2 2H GLY 1 HT2 GLY 1 2.153 -9.211 11.141
3 3H GLY 1 HT3 GLY 1 2.002 -9.849 9.583
4 1HA GLY 1 HA1 GLY 1 0.986 -7.214 10.500
5 2HA GLY 1 HA2 GLY 1 2.416 -7.470 9.508
6 H THR 2 HN THR 2 0.241 -5.854 8.745
7 HA THR 2 HA THR 2 -1.389 -7.372 6.886
8 HB THR 2 HB THR 2 -2.218 -5.043 6.258
9 HG1 THR 2 HG1 THR 2 -1.496 -3.312 7.340
10 1HG2 THR 2 HG21 THR 2 -3.419 -6.409 7.864
11 2HG2 THR 2 HG22 THR 2 -3.447 -4.711 8.327
12 3HG2 THR 2 HG23 THR 2 -2.362 -5.824 9.151
13 H ALA 3 HN ALA 3 0.862 -8.119 6.060
14 HA ALA 3 HA ALA 3 2.226 -6.345 4.296
15 1HB ALA 3 HB1 ALA 3 3.413 -8.077 5.510
16 2HB ALA 3 HB2 ALA 3 3.623 -8.263 3.770
17 3HB ALA 3 HB3 ALA 3 2.511 -9.320 4.645
18 H CYS 4 HN CYS 4 1.534 -5.846 2.357
19 HA CYS 4 HA CYS 4 -0.049 -7.793 0.785
20 1HB CYS 4 HB2 CYS 4 -0.998 -5.731 -0.319
21 2HB CYS 4 HB1 CYS 4 -1.464 -5.981 1.356
22 H SER 5 HN SER 5 0.173 -7.384 -1.632
23 HA SER 5 HA SER 5 2.855 -6.406 -2.297
24 1HB SER 5 HB2 SER 5 2.914 -8.558 -3.847
25 2HB SER 5 HB1 SER 5 3.435 -8.605 -2.165
26 HG SER 5 HG SER 5 1.983 -10.308 -2.705
27 H CYS 6 HN CYS 6 2.910 -5.175 -4.022
28 HA CYS 6 HA CYS 6 0.726 -5.334 -6.011
29 1HB CYS 6 HB2 CYS 6 2.614 -3.044 -5.387
30 2HB CYS 6 HB1 CYS 6 1.425 -3.059 -6.686
31 H GLY 7 HN GLY 7 1.627 -7.057 -7.165
32 1HA GLY 7 HA2 GLY 7 2.894 -7.943 -8.855
33 2HA GLY 7 HA1 GLY 7 3.674 -6.379 -9.056
34 H ASN 8 HN ASN 8 5.688 -6.071 -8.210
35 HA ASN 8 HA ASN 8 6.878 -8.357 -6.743
36 1HB ASN 8 HB2 ASN 8 8.100 -6.274 -8.553
37 2HB ASN 8 HB1 ASN 8 9.069 -7.313 -7.511
38 1HD2 ASN 8 HD21 ASN 8 9.042 -7.126 -10.415
39 2HD2 ASN 8 HD22 ASN 8 8.656 -8.714 -10.974
40 H SER 9 HN SER 9 5.559 -5.405 -6.190
41 HA SER 9 HA SER 9 7.551 -4.527 -4.245
42 1HB SER 9 HB2 SER 9 4.896 -3.267 -4.980
43 2HB SER 9 HB1 SER 9 6.231 -2.532 -4.092
44 HG SER 9 HG SER 9 6.070 -2.027 -6.407
45 H LYS 10 HN LYS 10 7.420 -5.154 -2.172
46 HA LYS 10 HA LYS 10 4.834 -6.192 -1.170
47 1HB LYS 10 HB2 LYS 10 7.637 -6.811 -0.221
48 2HB LYS 10 HB1 LYS 10 6.176 -7.364 0.544
49 1HG LYS 10 HG2 LYS 10 6.828 -9.193 -0.694
50 2HG LYS 10 HG1 LYS 10 5.558 -8.457 -1.666
51 1HD LYS 10 HD2 LYS 10 7.482 -9.177 -3.015
52 2HD LYS 10 HD1 LYS 10 7.225 -7.446 -3.117
53 1HE LYS 10 HE2 LYS 10 9.584 -7.981 -2.893
54 2HE LYS 10 HE1 LYS 10 9.039 -7.079 -1.495
55 1HZ LYS 10 HZ1 LYS 10 9.291 -10.043 -1.584
56 2HZ LYS 10 HZ2 LYS 10 8.965 -9.094 -0.220
57 3HZ LYS 10 HZ3 LYS 10 10.474 -9.001 -0.971
58 H GLY 11 HN GLY 11 3.847 -5.058 0.376
59 1HA GLY 11 HA2 GLY 11 5.417 -3.337 2.168
60 2HA GLY 11 HA1 GLY 11 4.261 -2.583 1.082
61 H ILE 12 HN ILE 12 3.230 -1.748 2.922
62 HA ILE 12 HA ILE 12 1.642 -3.746 4.418
63 HB ILE 12 HB ILE 12 2.527 -1.059 5.489
64 1HG1 ILE 12 HG12 ILE 12 4.577 -2.267 5.021
65 2HG1 ILE 12 HG11 ILE 12 4.297 -2.246 6.753
66 1HG2 ILE 12 HG21 ILE 12 0.627 -2.079 6.605
67 2HG2 ILE 12 HG22 ILE 12 2.038 -2.077 7.659
68 3HG2 ILE 12 HG23 ILE 12 1.546 -3.564 6.848
69 1HD1 ILE 12 HD11 ILE 12 3.970 -4.487 6.866
70 2HD1 ILE 12 HD12 ILE 12 5.083 -4.410 5.507
71 3HD1 ILE 12 HD13 ILE 12 3.367 -4.634 5.223
72 H TYR 13 HN TYR 13 -0.559 -3.422 4.455
73 HA TYR 13 HA TYR 13 -1.478 -0.925 3.218
74 1HB TYR 13 HB2 TYR 13 -3.437 -1.955 2.510
75 2HB TYR 13 HB1 TYR 13 -2.194 -3.111 2.177
76 HD1 TYR 13 HD1 TYR 13 -5.171 -2.395 4.118
77 HD2 TYR 13 HD2 TYR 13 -2.040 -5.214 3.479
78 HE1 TYR 13 HE1 TYR 13 -6.465 -4.102 5.309
79 HE2 TYR 13 HE2 TYR 13 -3.337 -6.926 4.668
80 HH TYR 13 HH TYR 13 -5.495 -6.567 6.653
81 H TRP 14 HN TRP 14 -2.869 0.416 4.154
82 HA TRP 14 HA TRP 14 -3.248 0.061 7.056
83 1HB TRP 14 HB2 TRP 14 -3.245 2.546 5.319
84 2HB TRP 14 HB1 TRP 14 -3.539 2.512 7.052
85 HD1 TRP 14 HD1 TRP 14 -0.670 1.583 4.593
86 HE1 TRP 14 HE1 TRP 14 1.568 2.021 5.793
87 HE3 TRP 14 HE3 TRP 14 -2.453 2.961 9.187
88 HZ2 TRP 14 HZ2 TRP 14 2.457 2.841 8.337
89 HZ3 TRP 14 HZ3 TRP 14 -0.839 3.559 10.945
90 HH2 TRP 14 HH2 TRP 14 1.564 3.498 10.526
91 H PHE 15 HN PHE 15 -5.259 0.263 7.974
92 HA PHE 15 HA PHE 15 -7.368 -0.554 6.262
93 1HB PHE 15 HB2 PHE 15 -7.218 -0.053 9.223
94 2HB PHE 15 HB1 PHE 15 -8.717 -0.543 8.443
95 HD1 PHE 15 HD1 PHE 15 -5.553 -1.656 9.749
96 HD2 PHE 15 HD2 PHE 15 -8.795 -2.717 7.202
97 HE1 PHE 15 HE1 PHE 15 -4.892 -4.018 9.893
98 HE2 PHE 15 HE2 PHE 15 -8.133 -5.084 7.336
99 HZ PHE 15 HZ PHE 15 -6.179 -5.736 8.687
100 H TYR 16 HN TYR 16 -8.855 0.535 5.298
101 HA TYR 16 HA TYR 16 -10.024 2.224 4.428
102 1HB TYR 16 HB2 TYR 16 -11.754 3.081 5.859
103 2HB TYR 16 HB1 TYR 16 -11.464 1.388 6.206
104 HD1 TYR 16 HD1 TYR 16 -11.106 4.823 7.485
105 HD2 TYR 16 HD2 TYR 16 -10.677 0.685 8.384
106 HE1 TYR 16 HE1 TYR 16 -10.906 5.372 9.858
107 HE2 TYR 16 HE2 TYR 16 -10.482 1.227 10.774
108 HH TYR 16 HH TYR 16 -9.664 3.727 12.044
109 H ARG 17 HN ARG 17 -7.268 3.111 5.149
110 HA ARG 17 HA ARG 17 -7.708 5.916 5.791
111 1HB ARG 17 HB2 ARG 17 -5.186 4.353 5.300
112 2HB ARG 17 HB1 ARG 17 -5.224 6.093 5.578
113 1HG ARG 17 HG2 ARG 17 -6.329 5.643 7.772
114 2HG ARG 17 HG1 ARG 17 -6.067 3.924 7.484
115 1HD ARG 17 HD2 ARG 17 -3.662 4.317 7.356
116 2HD ARG 17 HD1 ARG 17 -3.939 6.020 7.589
117 HE ARG 17 HE ARG 17 -4.766 4.069 9.640
118 1HH1 ARG 17 HH11 ARG 17 -2.851 6.866 8.696
119 2HH1 ARG 17 HH12 ARG 17 -2.353 7.198 10.304
120 1HH2 ARG 17 HH21 ARG 17 -4.089 4.552 11.770
121 2HH2 ARG 17 HH22 ARG 17 -3.038 5.901 12.049
122 HA PRO 18 HA PRO 18 -8.021 6.519 1.351
123 1HB PRO 18 HB2 PRO 18 -9.033 9.008 1.409
124 2HB PRO 18 HB1 PRO 18 -9.969 7.611 1.939
125 1HG PRO 18 HG2 PRO 18 -8.530 9.643 3.585
126 2HG PRO 18 HG1 PRO 18 -10.120 8.905 3.847
127 1HD PRO 18 HD2 PRO 18 -7.774 8.112 5.094
128 2HD PRO 18 HD1 PRO 18 -9.230 7.115 4.922
129 H SER 19 HN SER 19 -5.465 7.095 2.938
130 HA SER 19 HA SER 19 -4.148 8.604 0.901
131 1HB SER 19 HB2 SER 19 -4.970 10.430 2.350
132 2HB SER 19 HB1 SER 19 -4.211 9.670 3.747
133 HG SER 19 HG SER 19 -2.841 11.249 2.963
134 H CYS 20 HN CYS 20 -1.832 8.369 1.075
135 HA CYS 20 HA CYS 20 -1.103 6.058 2.740
136 1HB CYS 20 HB2 CYS 20 -0.933 5.674 0.360
137 2HB CYS 20 HB1 CYS 20 0.148 7.053 0.195
138 HA PRO 21 HA PRO 21 1.470 9.136 4.824
139 1HB PRO 21 HB2 PRO 21 2.066 7.187 6.857
140 2HB PRO 21 HB1 PRO 21 0.949 8.539 6.927
141 1HG PRO 21 HG2 PRO 21 0.252 5.850 6.929
142 2HG PRO 21 HG1 PRO 21 -0.839 7.211 6.626
143 1HD PRO 21 HD2 PRO 21 0.440 5.339 4.702
144 2HD PRO 21 HD1 PRO 21 -1.126 6.176 4.633
145 H THR 22 HN THR 22 2.959 8.851 2.981
146 HA THR 22 HA THR 22 4.938 6.745 3.340
147 HB THR 22 HB THR 22 4.001 6.872 1.130
148 HG1 THR 22 HG1 THR 22 6.660 7.903 0.962
149 1HG2 THR 22 HG21 THR 22 5.077 9.185 -0.009
150 2HG2 THR 22 HG22 THR 22 4.276 9.728 1.463
151 3HG2 THR 22 HG23 THR 22 3.381 8.806 0.260
152 H ASP 23 HN ASP 23 6.016 7.518 5.094
153 HA ASP 23 HA ASP 23 8.141 9.427 4.301
154 1HB ASP 23 HB2 ASP 23 6.942 10.343 6.243
155 2HB ASP 23 HB1 ASP 23 7.155 8.827 7.109
156 H ARG 24 HN ARG 24 7.176 6.362 4.525
157 HA ARG 24 HA ARG 24 9.569 5.211 5.723
158 1HB ARG 24 HB2 ARG 24 7.206 3.735 4.556
159 2HB ARG 24 HB1 ARG 24 8.356 3.182 5.769
160 1HG ARG 24 HG2 ARG 24 6.360 5.410 6.208
161 2HG ARG 24 HG1 ARG 24 6.095 3.731 6.632
162 1HD ARG 24 HD2 ARG 24 8.517 5.156 7.643
163 2HD ARG 24 HD1 ARG 24 6.963 5.410 8.397
164 HE ARG 24 HE ARG 24 6.839 2.955 8.715
165 1HH1 ARG 24 HH11 ARG 24 9.985 4.498 8.375
166 2HH1 ARG 24 HH12 ARG 24 10.773 3.338 9.365
167 1HH2 ARG 24 HH21 ARG 24 7.924 1.442 10.029
168 2HH2 ARG 24 HH22 ARG 24 9.627 1.608 10.302
169 H GLY 25 HN GLY 25 8.405 6.161 2.677
170 1HA GLY 25 HA2 GLY 25 9.647 6.026 0.708
171 2HA GLY 25 HA1 GLY 25 10.521 4.637 1.332
172 H TYR 26 HN TYR 26 7.064 5.456 0.875
173 HA TYR 26 HA TYR 26 6.584 2.762 -0.138
174 1HB TYR 26 HB2 TYR 26 4.726 5.066 0.436
175 2HB TYR 26 HB1 TYR 26 4.190 3.520 -0.191
176 HD1 TYR 26 HD1 TYR 26 4.026 5.247 2.647
177 HD2 TYR 26 HD2 TYR 26 5.566 1.543 1.310
178 HE1 TYR 26 HE1 TYR 26 3.814 4.357 4.924
179 HE2 TYR 26 HE2 TYR 26 5.339 0.613 3.575
180 HH TYR 26 HH TYR 26 5.294 1.802 6.059
181 H THR 27 HN THR 27 6.863 2.339 -2.210
182 HA THR 27 HA THR 27 7.062 4.477 -4.136
183 HB THR 27 HB THR 27 7.157 1.482 -4.668
184 HG1 THR 27 HG1 THR 27 9.291 3.240 -3.895
185 1HG2 THR 27 HG21 THR 27 8.608 2.165 -6.534
186 2HG2 THR 27 HG22 THR 27 8.338 3.858 -6.122
187 3HG2 THR 27 HG23 THR 27 6.994 2.858 -6.675
188 H GLY 28 HN GLY 28 4.905 1.689 -3.595
189 1HA GLY 28 HA2 GLY 28 3.030 2.852 -5.575
190 2HA GLY 28 HA1 GLY 28 3.153 1.154 -5.149
191 H SER 29 HN SER 29 0.769 2.632 -5.119
192 HA SER 29 HA SER 29 0.017 2.140 -2.347
193 1HB SER 29 HB2 SER 29 -0.617 4.744 -3.742
194 2HB SER 29 HB1 SER 29 -1.236 4.241 -2.166
195 HG SER 29 HG SER 29 0.655 5.630 -2.096
196 H CYS 30 HN CYS 30 -0.875 0.281 -3.337
197 HA CYS 30 HA CYS 30 -3.105 0.680 -5.230
198 1HB CYS 30 HB2 CYS 30 -2.281 -2.019 -4.217
199 2HB CYS 30 HB1 CYS 30 -2.846 -1.534 -5.809
200 H ARG 31 HN ARG 31 -5.290 0.141 -4.610
201 HA ARG 31 HA ARG 31 -5.645 0.064 -1.737
202 1HB ARG 31 HB2 ARG 31 -7.261 1.365 -2.944
203 2HB ARG 31 HB1 ARG 31 -7.745 -0.041 -3.896
204 1HG ARG 31 HG2 ARG 31 -8.534 -1.167 -1.889
205 2HG ARG 31 HG1 ARG 31 -7.980 0.177 -0.897
206 1HD ARG 31 HD2 ARG 31 -9.598 1.619 -1.977
207 2HD ARG 31 HD1 ARG 31 -10.110 0.299 -3.011
208 HE ARG 31 HE ARG 31 -10.864 -0.898 -1.011
209 1HH1 ARG 31 HH11 ARG 31 -10.352 2.569 -0.691
210 2HH1 ARG 31 HH12 ARG 31 -11.530 2.732 0.547
211 1HH2 ARG 31 HH21 ARG 31 -12.403 -0.655 0.641
212 2HH2 ARG 31 HH22 ARG 31 -12.698 0.912 1.319
213 H TYR 32 HN TYR 32 -5.677 -1.656 -0.572
214 HA TYR 32 HA TYR 32 -6.038 -4.309 -1.759
215 1HB TYR 32 HB2 TYR 32 -4.200 -3.597 -0.051
216 2HB TYR 32 HB1 TYR 32 -5.467 -3.700 1.153
217 HD1 TYR 32 HD1 TYR 32 -6.228 -5.846 1.935
218 HD2 TYR 32 HD2 TYR 32 -3.492 -5.601 -1.320
219 HE1 TYR 32 HE1 TYR 32 -5.803 -8.258 2.115
220 HE2 TYR 32 HE2 TYR 32 -3.066 -8.012 -1.147
221 HH TYR 32 HH TYR 32 -4.762 -10.108 0.007
222 H PHE 33 HN PHE 33 -7.505 -5.785 -0.529
223 HA PHE 33 HA PHE 33 -10.081 -5.044 -0.727
224 1HB PHE 33 HB2 PHE 33 -8.980 -7.052 1.240
225 2HB PHE 33 HB1 PHE 33 -10.673 -6.946 0.772
226 HD1 PHE 33 HD1 PHE 33 -11.371 -7.509 -1.520
227 HD2 PHE 33 HD2 PHE 33 -7.363 -8.061 -0.204
228 HE1 PHE 33 HE1 PHE 33 -10.948 -9.002 -3.426
229 HE2 PHE 33 HE2 PHE 33 -6.930 -9.550 -2.105
230 HZ PHE 33 HZ PHE 33 -8.727 -10.025 -3.722
231 H LEU 34 HN LEU 34 -8.169 -4.618 2.262
232 HA LEU 34 HA LEU 34 -10.552 -3.368 3.486
233 1HB LEU 34 HB2 LEU 34 -8.218 -4.789 4.736
234 2HB LEU 34 HB1 LEU 34 -9.373 -3.865 5.655
235 HG LEU 34 HG LEU 34 -9.944 -6.149 5.876
236 1HD1 LEU 34 HD11 LEU 34 -12.209 -6.176 5.119
237 2HD1 LEU 34 HD12 LEU 34 -11.875 -4.960 3.889
238 3HD1 LEU 34 HD13 LEU 34 -11.804 -4.531 5.599
239 1HD2 LEU 34 HD21 LEU 34 -10.419 -6.527 2.968
240 2HD2 LEU 34 HD22 LEU 34 -10.064 -7.700 4.223
241 3HD2 LEU 34 HD23 LEU 34 -8.775 -6.686 3.585
242 H GLY 35 HN GLY 35 -8.088 -2.166 1.867
243 1HA GLY 35 HA2 GLY 35 -8.285 0.362 2.849
244 2HA GLY 35 HA1 GLY 35 -7.039 -0.357 3.844
245 H THR 36 HN THR 36 -5.717 1.375 2.929
246 HA THR 36 HA THR 36 -5.044 1.060 0.103
247 HB THR 36 HB THR 36 -4.132 3.163 2.090
248 HG1 THR 36 HG1 THR 36 -6.157 3.230 0.055
249 1HG2 THR 36 HG21 THR 36 -2.531 3.046 0.316
250 2HG2 THR 36 HG22 THR 36 -3.588 4.413 -0.022
251 3HG2 THR 36 HG23 THR 36 -3.799 2.903 -0.905
252 H CYS 37 HN CYS 37 -3.458 -0.210 -0.481
253 HA CYS 37 HA CYS 37 -1.475 -1.137 1.395
254 1HB CYS 37 HB2 CYS 37 -2.461 -2.800 0.007
255 2HB CYS 37 HB1 CYS 37 -2.073 -1.897 -1.437
256 H CYS 38 HN CYS 38 0.118 0.201 1.810
257 HA CYS 38 HA CYS 38 1.311 1.781 -0.344
258 1HB CYS 38 HB2 CYS 38 1.835 1.700 2.637
259 2HB CYS 38 HB1 CYS 38 2.631 2.738 1.486
260 H THR 39 HN THR 39 2.752 0.736 -1.558
261 HA THR 39 HA THR 39 4.251 -1.444 -0.346
262 HB THR 39 HB THR 39 4.582 -1.844 -2.997
263 HG1 THR 39 HG1 THR 39 1.915 -0.874 -2.768
264 1HG2 THR 39 HG21 THR 39 3.913 -3.630 -1.746
265 2HG2 THR 39 HG22 THR 39 2.468 -3.299 -2.681
266 3HG2 THR 39 HG23 THR 39 2.571 -2.771 -1.010
267 HA PRO 40 HA PRO 40 8.130 0.396 -1.594
268 1HB PRO 40 HB2 PRO 40 9.549 -0.469 0.523
269 2HB PRO 40 HB1 PRO 40 8.507 0.928 0.644
270 1HG PRO 40 HG2 PRO 40 8.045 -1.825 1.631
271 2HG PRO 40 HG1 PRO 40 7.594 -0.272 2.354
272 1HD PRO 40 HD2 PRO 40 6.001 -1.952 0.794
273 2HD PRO 40 HD1 PRO 40 5.561 -0.348 1.313
274 H ALA 41 HN ALA 41 10.240 -1.449 -0.795
275 HA ALA 41 HA ALA 41 9.385 -3.964 -2.075
276 1HB ALA 41 HB1 ALA 41 11.933 -2.453 -2.654
277 2HB ALA 41 HB2 ALA 41 10.536 -2.564 -3.724
278 3HB ALA 41 HB3 ALA 41 11.458 -4.014 -3.329
279 H ASP 42 HN ASP 42 9.230 -4.436 0.320
280 HA ASP 42 HA ASP 42 11.805 -4.838 1.636
281 1HB ASP 42 HB2 ASP 42 9.868 -4.122 2.968
282 2HB ASP 42 HB1 ASP 42 9.012 -5.599 2.531
Start of MODEL 18
1 1H GLY 1 HT1 GLY 1 2.038 -10.072 9.923
2 2H GLY 1 HT2 GLY 1 3.276 -9.154 10.619
3 3H GLY 1 HT3 GLY 1 3.198 -9.326 8.939
4 1HA GLY 1 HA1 GLY 1 1.217 -7.918 10.643
5 2HA GLY 1 HA2 GLY 1 2.422 -7.143 9.623
6 H THR 2 HN THR 2 0.370 -6.131 8.795
7 HA THR 2 HA THR 2 -1.239 -7.804 7.031
8 HB THR 2 HB THR 2 -2.354 -5.587 6.493
9 HG1 THR 2 HG1 THR 2 -0.863 -4.532 8.652
10 1HG2 THR 2 HG21 THR 2 -3.264 -7.082 8.191
11 2HG2 THR 2 HG22 THR 2 -3.493 -5.389 8.625
12 3HG2 THR 2 HG23 THR 2 -2.216 -6.330 9.395
13 H ALA 3 HN ALA 3 1.036 -8.288 6.062
14 HA ALA 3 HA ALA 3 2.107 -6.293 4.333
15 1HB ALA 3 HB1 ALA 3 3.536 -7.911 5.456
16 2HB ALA 3 HB2 ALA 3 3.730 -7.990 3.706
17 3HB ALA 3 HB3 ALA 3 2.781 -9.219 4.547
18 H CYS 4 HN CYS 4 1.705 -5.946 2.246
19 HA CYS 4 HA CYS 4 0.338 -8.048 0.683
20 1HB CYS 4 HB2 CYS 4 -0.955 -6.254 -0.463
21 2HB CYS 4 HB1 CYS 4 -1.380 -6.461 1.227
22 H SER 5 HN SER 5 0.804 -7.975 -1.602
23 HA SER 5 HA SER 5 3.136 -6.323 -2.285
24 1HB SER 5 HB2 SER 5 4.089 -8.421 -3.419
25 2HB SER 5 HB1 SER 5 4.198 -8.301 -1.666
26 HG SER 5 HG SER 5 2.580 -9.770 -1.448
27 H CYS 6 HN CYS 6 2.983 -5.352 -4.131
28 HA CYS 6 HA CYS 6 1.158 -6.403 -6.209
29 1HB CYS 6 HB2 CYS 6 2.093 -3.545 -5.808
30 2HB CYS 6 HB1 CYS 6 0.950 -4.123 -7.018
31 H GLY 7 HN GLY 7 2.603 -7.715 -7.294
32 1HA GLY 7 HA2 GLY 7 4.245 -8.191 -8.818
33 2HA GLY 7 HA1 GLY 7 4.516 -6.465 -9.017
34 H ASN 8 HN ASN 8 6.426 -5.712 -8.310
35 HA ASN 8 HA ASN 8 8.063 -7.434 -6.564
36 1HB ASN 8 HB2 ASN 8 9.944 -6.206 -7.269
37 2HB ASN 8 HB1 ASN 8 8.989 -6.464 -8.724
38 1HD2 ASN 8 HD21 ASN 8 10.978 -4.355 -7.791
39 2HD2 ASN 8 HD22 ASN 8 10.174 -2.870 -8.150
40 H SER 9 HN SER 9 5.978 -4.793 -6.399
41 HA SER 9 HA SER 9 7.385 -3.420 -4.292
42 1HB SER 9 HB2 SER 9 4.635 -2.907 -5.444
43 2HB SER 9 HB1 SER 9 5.572 -1.812 -4.423
44 HG SER 9 HG SER 9 6.985 -1.477 -6.066
45 H LYS 10 HN LYS 10 7.323 -4.313 -2.310
46 HA LYS 10 HA LYS 10 4.776 -5.497 -1.409
47 1HB LYS 10 HB2 LYS 10 6.094 -7.059 -0.065
48 2HB LYS 10 HB1 LYS 10 6.373 -7.202 -1.792
49 1HG LYS 10 HG2 LYS 10 8.473 -5.987 -1.568
50 2HG LYS 10 HG1 LYS 10 8.202 -5.818 0.168
51 1HD LYS 10 HD2 LYS 10 9.738 -7.648 -0.322
52 2HD LYS 10 HD1 LYS 10 8.247 -8.252 0.403
53 1HE LYS 10 HE2 LYS 10 7.428 -8.813 -1.887
54 2HE LYS 10 HE1 LYS 10 8.986 -8.294 -2.524
55 1HZ LYS 10 HZ1 LYS 10 8.856 -10.680 -2.246
56 2HZ LYS 10 HZ2 LYS 10 8.529 -10.508 -0.597
57 3HZ LYS 10 HZ3 LYS 10 10.033 -10.035 -1.217
58 H GLY 11 HN GLY 11 3.903 -4.705 0.371
59 1HA GLY 11 HA2 GLY 11 5.528 -3.405 2.403
60 2HA GLY 11 HA1 GLY 11 4.468 -2.359 1.487
61 H ILE 12 HN ILE 12 3.041 -1.795 3.022
62 HA ILE 12 HA ILE 12 1.563 -3.980 4.371
63 HB ILE 12 HB ILE 12 2.308 -1.271 5.512
64 1HG1 ILE 12 HG12 ILE 12 4.293 -2.693 5.317
65 2HG1 ILE 12 HG11 ILE 12 3.834 -2.488 7.001
66 1HG2 ILE 12 HG21 ILE 12 1.512 -2.292 7.651
67 2HG2 ILE 12 HG22 ILE 12 0.886 -3.642 6.707
68 3HG2 ILE 12 HG23 ILE 12 0.250 -2.018 6.456
69 1HD1 ILE 12 HD11 ILE 12 2.773 -4.716 6.946
70 2HD1 ILE 12 HD12 ILE 12 4.496 -4.754 6.599
71 3HD1 ILE 12 HD13 ILE 12 3.337 -4.906 5.294
72 H TYR 13 HN TYR 13 -0.660 -3.810 4.389
73 HA TYR 13 HA TYR 13 -1.745 -1.416 3.109
74 1HB TYR 13 HB2 TYR 13 -3.641 -2.542 2.473
75 2HB TYR 13 HB1 TYR 13 -2.412 -3.748 2.276
76 HD1 TYR 13 HD1 TYR 13 -5.326 -2.734 4.229
77 HD2 TYR 13 HD2 TYR 13 -2.349 -5.738 3.685
78 HE1 TYR 13 HE1 TYR 13 -6.636 -4.291 5.596
79 HE2 TYR 13 HE2 TYR 13 -3.676 -7.300 5.040
80 HH TYR 13 HH TYR 13 -5.797 -6.647 7.070
81 H TRP 14 HN TRP 14 -2.877 0.024 4.170
82 HA TRP 14 HA TRP 14 -3.177 -0.376 7.074
83 1HB TRP 14 HB2 TRP 14 -2.987 2.166 5.426
84 2HB TRP 14 HB1 TRP 14 -3.137 2.062 7.165
85 HD1 TRP 14 HD1 TRP 14 -0.633 0.862 4.465
86 HE1 TRP 14 HE1 TRP 14 1.728 0.980 5.474
87 HE3 TRP 14 HE3 TRP 14 -1.839 2.415 9.188
88 HZ2 TRP 14 HZ2 TRP 14 2.926 1.652 7.937
89 HZ3 TRP 14 HZ3 TRP 14 -0.023 2.777 10.805
90 HH2 TRP 14 HH2 TRP 14 2.308 2.405 10.191
91 H PHE 15 HN PHE 15 -5.114 0.133 8.078
92 HA PHE 15 HA PHE 15 -7.396 -0.382 6.435
93 1HB PHE 15 HB2 PHE 15 -7.150 0.234 9.383
94 2HB PHE 15 HB1 PHE 15 -8.660 -0.213 8.598
95 HD1 PHE 15 HD1 PHE 15 -5.420 -1.413 9.787
96 HD2 PHE 15 HD2 PHE 15 -9.015 -2.475 7.756
97 HE1 PHE 15 HE1 PHE 15 -4.894 -3.794 10.100
98 HE2 PHE 15 HE2 PHE 15 -8.487 -4.855 8.067
99 HZ PHE 15 HZ PHE 15 -6.426 -5.518 9.239
100 H TYR 16 HN TYR 16 -8.230 1.139 5.211
101 HA TYR 16 HA TYR 16 -9.104 3.064 4.435
102 1HB TYR 16 HB2 TYR 16 -9.970 3.415 7.314
103 2HB TYR 16 HB1 TYR 16 -10.751 4.075 5.880
104 HD1 TYR 16 HD1 TYR 16 -11.816 2.468 4.228
105 HD2 TYR 16 HD2 TYR 16 -10.514 1.262 8.100
106 HE1 TYR 16 HE1 TYR 16 -13.230 0.464 4.078
107 HE2 TYR 16 HE2 TYR 16 -11.922 -0.742 7.955
108 HH TYR 16 HH TYR 16 -12.945 -2.106 5.554
109 H ARG 17 HN ARG 17 -6.594 3.663 4.458
110 HA ARG 17 HA ARG 17 -6.415 6.281 5.828
111 1HB ARG 17 HB2 ARG 17 -4.419 4.052 5.743
112 2HB ARG 17 HB1 ARG 17 -3.878 5.719 5.905
113 1HG ARG 17 HG2 ARG 17 -5.007 6.004 7.954
114 2HG ARG 17 HG1 ARG 17 -5.887 4.487 7.766
115 1HD ARG 17 HD2 ARG 17 -3.927 3.219 8.079
116 2HD ARG 17 HD1 ARG 17 -2.877 4.621 7.941
117 HE ARG 17 HE ARG 17 -3.217 5.026 10.149
118 1HH1 ARG 17 HH11 ARG 17 -5.824 2.907 9.080
119 2HH1 ARG 17 HH12 ARG 17 -6.360 2.590 10.683
120 1HH2 ARG 17 HH21 ARG 17 -3.936 4.562 12.248
121 2HH2 ARG 17 HH22 ARG 17 -5.294 3.513 12.484
122 HA PRO 18 HA PRO 18 -5.652 7.071 1.373
123 1HB PRO 18 HB2 PRO 18 -6.970 9.628 1.957
124 2HB PRO 18 HB1 PRO 18 -7.414 8.371 0.802
125 1HG PRO 18 HG2 PRO 18 -8.853 8.892 3.032
126 2HG PRO 18 HG1 PRO 18 -8.755 7.279 2.302
127 1HD PRO 18 HD2 PRO 18 -7.290 8.381 4.673
128 2HD PRO 18 HD1 PRO 18 -8.050 6.789 4.445
129 H SER 19 HN SER 19 -4.498 8.100 4.290
130 HA SER 19 HA SER 19 -2.683 10.081 3.120
131 1HB SER 19 HB2 SER 19 -3.287 9.514 6.037
132 2HB SER 19 HB1 SER 19 -2.214 10.767 5.411
133 HG SER 19 HG SER 19 -4.371 11.488 5.968
134 H CYS 20 HN CYS 20 -1.526 8.365 2.090
135 HA CYS 20 HA CYS 20 -0.341 6.278 3.644
136 1HB CYS 20 HB2 CYS 20 -0.951 6.010 1.275
137 2HB CYS 20 HB1 CYS 20 0.297 7.163 0.834
138 HA PRO 21 HA PRO 21 2.787 9.074 5.209
139 1HB PRO 21 HB2 PRO 21 4.109 6.624 6.213
140 2HB PRO 21 HB1 PRO 21 3.461 8.010 7.093
141 1HG PRO 21 HG2 PRO 21 2.260 5.604 7.115
142 2HG PRO 21 HG1 PRO 21 1.347 7.121 7.206
143 1HD PRO 21 HD2 PRO 21 1.754 5.293 4.878
144 2HD PRO 21 HD1 PRO 21 0.318 6.192 5.396
145 H THR 22 HN THR 22 4.409 9.921 4.049
146 HA THR 22 HA THR 22 5.807 8.359 2.065
147 HB THR 22 HB THR 22 6.629 11.172 2.803
148 HG1 THR 22 HG1 THR 22 4.190 10.478 1.450
149 1HG2 THR 22 HG21 THR 22 7.736 9.996 0.958
150 2HG2 THR 22 HG22 THR 22 6.804 11.378 0.387
151 3HG2 THR 22 HG23 THR 22 6.170 9.746 0.182
152 H ASP 23 HN ASP 23 6.204 7.751 4.967
153 HA ASP 23 HA ASP 23 8.980 8.456 5.466
154 1HB ASP 23 HB2 ASP 23 7.471 8.703 7.326
155 2HB ASP 23 HB1 ASP 23 6.854 7.070 7.111
156 H ARG 24 HN ARG 24 6.999 5.783 4.443
157 HA ARG 24 HA ARG 24 9.094 3.843 5.048
158 1HB ARG 24 HB2 ARG 24 6.257 3.608 4.178
159 2HB ARG 24 HB1 ARG 24 7.268 2.208 4.398
160 1HG ARG 24 HG2 ARG 24 6.619 4.227 6.552
161 2HG ARG 24 HG1 ARG 24 5.769 2.703 6.319
162 1HD ARG 24 HD2 ARG 24 8.666 3.076 6.973
163 2HD ARG 24 HD1 ARG 24 7.424 2.441 8.040
164 HE ARG 24 HE ARG 24 7.207 0.633 6.201
165 1HH1 ARG 24 HH11 ARG 24 10.217 2.113 7.289
166 2HH1 ARG 24 HH12 ARG 24 11.158 0.736 6.873
167 1HH2 ARG 24 HH21 ARG 24 8.478 -1.149 5.639
168 2HH2 ARG 24 HH22 ARG 24 10.167 -1.129 5.982
169 H GLY 25 HN GLY 25 9.047 5.813 2.630
170 1HA GLY 25 HA2 GLY 25 9.789 5.763 0.488
171 2HA GLY 25 HA1 GLY 25 10.578 4.268 0.957
172 H TYR 26 HN TYR 26 7.103 4.486 1.067
173 HA TYR 26 HA TYR 26 6.523 2.255 -0.392
174 1HB TYR 26 HB2 TYR 26 4.882 4.763 -0.146
175 2HB TYR 26 HB1 TYR 26 4.269 3.218 -0.725
176 HD1 TYR 26 HD1 TYR 26 5.067 1.227 1.029
177 HD2 TYR 26 HD2 TYR 26 4.164 5.239 1.989
178 HE1 TYR 26 HE1 TYR 26 4.489 0.516 3.314
179 HE2 TYR 26 HE2 TYR 26 3.582 4.565 4.277
180 HH TYR 26 HH TYR 26 4.265 1.445 5.540
181 H THR 27 HN THR 27 6.578 1.720 -2.481
182 HA THR 27 HA THR 27 7.409 3.687 -4.432
183 HB THR 27 HB THR 27 7.024 0.690 -4.778
184 HG1 THR 27 HG1 THR 27 9.390 2.168 -4.104
185 1HG2 THR 27 HG21 THR 27 8.642 1.024 -6.635
186 2HG2 THR 27 HG22 THR 27 8.502 2.766 -6.406
187 3HG2 THR 27 HG23 THR 27 7.095 1.824 -6.904
188 H GLY 28 HN GLY 28 4.680 1.538 -3.762
189 1HA GLY 28 HA2 GLY 28 3.059 3.127 -5.647
190 2HA GLY 28 HA1 GLY 28 3.070 1.372 -5.768
191 H SER 29 HN SER 29 0.703 2.442 -5.422
192 HA SER 29 HA SER 29 0.029 1.667 -2.670
193 1HB SER 29 HB2 SER 29 0.214 4.194 -2.869
194 2HB SER 29 HB1 SER 29 -1.179 4.130 -3.946
195 HG SER 29 HG SER 29 -1.628 4.493 -1.657
196 H CYS 30 HN CYS 30 -1.223 -0.026 -2.977
197 HA CYS 30 HA CYS 30 -3.071 -0.104 -5.280
198 1HB CYS 30 HB2 CYS 30 -2.148 -2.365 -3.485
199 2HB CYS 30 HB1 CYS 30 -3.081 -2.505 -4.969
200 H ARG 31 HN ARG 31 -5.287 -0.512 -4.942
201 HA ARG 31 HA ARG 31 -6.232 0.145 -2.280
202 1HB ARG 31 HB2 ARG 31 -7.484 1.096 -4.076
203 2HB ARG 31 HB1 ARG 31 -7.721 -0.477 -4.825
204 1HG ARG 31 HG2 ARG 31 -9.735 0.289 -3.700
205 2HG ARG 31 HG1 ARG 31 -9.130 -1.181 -2.953
206 1HD ARG 31 HD2 ARG 31 -8.021 0.286 -1.217
207 2HD ARG 31 HD1 ARG 31 -8.862 1.637 -1.962
208 HE ARG 31 HE ARG 31 -10.355 -0.686 -0.904
209 1HH1 ARG 31 HH11 ARG 31 -9.614 2.747 -0.778
210 2HH1 ARG 31 HH12 ARG 31 -10.921 3.100 0.277
211 1HH2 ARG 31 HH21 ARG 31 -12.089 -0.186 0.501
212 2HH2 ARG 31 HH22 ARG 31 -12.329 1.450 1.016
213 H TYR 32 HN TYR 32 -6.354 -1.339 -0.771
214 HA TYR 32 HA TYR 32 -6.891 -4.148 -1.504
215 1HB TYR 32 HB2 TYR 32 -4.945 -3.358 0.057
216 2HB TYR 32 HB1 TYR 32 -6.194 -3.162 1.269
217 HD1 TYR 32 HD1 TYR 32 -4.368 -5.569 -0.828
218 HD2 TYR 32 HD2 TYR 32 -7.236 -5.118 2.283
219 HE1 TYR 32 HE1 TYR 32 -4.181 -7.960 -0.309
220 HE2 TYR 32 HE2 TYR 32 -7.058 -7.511 2.797
221 HH TYR 32 HH TYR 32 -6.108 -9.716 1.008
222 H PHE 33 HN PHE 33 -8.613 -5.209 -0.475
223 HA PHE 33 HA PHE 33 -10.984 -3.773 -0.481
224 1HB PHE 33 HB2 PHE 33 -10.381 -6.469 0.735
225 2HB PHE 33 HB1 PHE 33 -12.008 -5.845 0.483
226 HD1 PHE 33 HD1 PHE 33 -12.800 -5.372 -1.844
227 HD2 PHE 33 HD2 PHE 33 -9.172 -7.466 -1.054
228 HE1 PHE 33 HE1 PHE 33 -12.799 -6.238 -4.142
229 HE2 PHE 33 HE2 PHE 33 -9.170 -8.331 -3.353
230 HZ PHE 33 HZ PHE 33 -10.984 -7.719 -4.903
231 H LEU 34 HN LEU 34 -8.750 -3.998 2.105
232 HA LEU 34 HA LEU 34 -10.790 -3.072 4.003
233 1HB LEU 34 HB2 LEU 34 -8.150 -4.396 4.481
234 2HB LEU 34 HB1 LEU 34 -9.130 -3.727 5.764
235 HG LEU 34 HG LEU 34 -9.590 -6.001 5.852
236 1HD1 LEU 34 HD11 LEU 34 -11.870 -6.221 5.279
237 2HD1 LEU 34 HD12 LEU 34 -11.757 -5.012 4.005
238 3HD1 LEU 34 HD13 LEU 34 -11.618 -4.530 5.699
239 1HD2 LEU 34 HD21 LEU 34 -9.998 -6.163 2.872
240 2HD2 LEU 34 HD22 LEU 34 -9.841 -7.470 4.035
241 3HD2 LEU 34 HD23 LEU 34 -8.458 -6.465 3.657
242 H GLY 35 HN GLY 35 -8.236 -1.946 2.098
243 1HA GLY 35 HA2 GLY 35 -8.467 0.646 2.894
244 2HA GLY 35 HA1 GLY 35 -7.259 -0.030 3.960
245 H THR 36 HN THR 36 -5.590 1.194 3.245
246 HA THR 36 HA THR 36 -5.017 1.260 0.381
247 HB THR 36 HB THR 36 -3.537 2.795 2.534
248 HG1 THR 36 HG1 THR 36 -6.044 3.496 1.328
249 1HG2 THR 36 HG21 THR 36 -2.658 2.865 0.245
250 2HG2 THR 36 HG22 THR 36 -3.298 4.430 0.745
251 3HG2 THR 36 HG23 THR 36 -4.233 3.404 -0.342
252 H CYS 37 HN CYS 37 -3.760 -0.345 -0.336
253 HA CYS 37 HA CYS 37 -1.740 -1.580 1.330
254 1HB CYS 37 HB2 CYS 37 -2.975 -3.068 -0.049
255 2HB CYS 37 HB1 CYS 37 -2.662 -2.103 -1.470
256 H CYS 38 HN CYS 38 -0.261 0.041 1.719
257 HA CYS 38 HA CYS 38 0.963 1.380 -0.564
258 1HB CYS 38 HB2 CYS 38 1.392 1.601 2.420
259 2HB CYS 38 HB1 CYS 38 2.315 2.477 1.227
260 H THR 39 HN THR 39 2.521 0.399 -1.662
261 HA THR 39 HA THR 39 4.148 -1.621 -0.279
262 HB THR 39 HB THR 39 4.225 -2.671 -2.602
263 HG1 THR 39 HG1 THR 39 3.364 -1.117 -3.898
264 1HG2 THR 39 HG21 THR 39 1.994 -2.674 -0.663
265 2HG2 THR 39 HG22 THR 39 3.016 -3.981 -1.248
266 3HG2 THR 39 HG23 THR 39 1.704 -3.405 -2.243
267 HA PRO 40 HA PRO 40 7.655 0.407 -2.238
268 1HB PRO 40 HB2 PRO 40 9.363 0.077 -0.131
269 2HB PRO 40 HB1 PRO 40 8.292 1.423 -0.316
270 1HG PRO 40 HG2 PRO 40 8.137 -0.701 1.621
271 2HG PRO 40 HG1 PRO 40 7.233 0.813 1.558
272 1HD PRO 40 HD2 PRO 40 6.449 -1.839 0.694
273 2HD PRO 40 HD1 PRO 40 5.426 -0.464 0.991
274 H ALA 41 HN ALA 41 8.884 -1.874 0.048
275 HA ALA 41 HA ALA 41 9.101 -4.219 -1.274
276 1HB ALA 41 HB1 ALA 41 11.466 -4.095 -2.142
277 2HB ALA 41 HB2 ALA 41 11.328 -2.343 -1.991
278 3HB ALA 41 HB3 ALA 41 10.274 -3.221 -3.093
279 H ASP 42 HN ASP 42 8.873 -3.107 1.344
280 HA ASP 42 HA ASP 42 11.254 -4.204 2.668
281 1HB ASP 42 HB2 ASP 42 11.498 -1.715 2.227
282 2HB ASP 42 HB1 ASP 42 10.125 -1.457 3.297
Start of MODEL 19
1 1H GLY 1 HT1 GLY 1 0.255 -7.651 11.543
2 2H GLY 1 HT2 GLY 1 1.863 -7.726 12.059
3 3H GLY 1 HT3 GLY 1 1.215 -8.987 11.137
4 1HA GLY 1 HA1 GLY 1 1.672 -6.201 10.226
5 2HA GLY 1 HA2 GLY 1 2.652 -7.596 9.799
6 H THR 2 HN THR 2 0.128 -5.664 8.837
7 HA THR 2 HA THR 2 -1.346 -7.672 7.355
8 HB THR 2 HB THR 2 -2.488 -5.552 6.445
9 HG1 THR 2 HG1 THR 2 -1.356 -3.810 6.845
10 1HG2 THR 2 HG21 THR 2 -3.488 -6.881 8.204
11 2HG2 THR 2 HG22 THR 2 -3.724 -5.162 8.503
12 3HG2 THR 2 HG23 THR 2 -2.496 -6.046 9.401
13 H ALA 3 HN ALA 3 0.540 -8.476 6.228
14 HA ALA 3 HA ALA 3 2.103 -6.929 4.492
15 1HB ALA 3 HB1 ALA 3 2.863 -9.044 3.563
16 2HB ALA 3 HB2 ALA 3 1.520 -9.885 4.341
17 3HB ALA 3 HB3 ALA 3 2.771 -9.123 5.322
18 H CYS 4 HN CYS 4 2.015 -6.494 2.345
19 HA CYS 4 HA CYS 4 -0.193 -7.504 0.710
20 1HB CYS 4 HB2 CYS 4 -1.010 -5.446 1.845
21 2HB CYS 4 HB1 CYS 4 0.306 -4.540 1.119
22 H SER 5 HN SER 5 0.167 -7.084 -1.585
23 HA SER 5 HA SER 5 2.928 -6.326 -2.265
24 1HB SER 5 HB2 SER 5 2.922 -8.443 -3.746
25 2HB SER 5 HB1 SER 5 3.158 -8.644 -2.011
26 HG SER 5 HG SER 5 1.586 -10.089 -2.990
27 H CYS 6 HN CYS 6 3.161 -5.313 -4.166
28 HA CYS 6 HA CYS 6 0.996 -5.439 -6.159
29 1HB CYS 6 HB2 CYS 6 2.190 -2.900 -5.041
30 2HB CYS 6 HB1 CYS 6 1.279 -2.963 -6.540
31 H GLY 7 HN GLY 7 2.206 -6.623 -7.580
32 1HA GLY 7 HA2 GLY 7 3.619 -6.862 -9.357
33 2HA GLY 7 HA1 GLY 7 4.098 -5.182 -9.164
34 H ASN 8 HN ASN 8 6.130 -4.822 -8.490
35 HA ASN 8 HA ASN 8 7.698 -7.090 -7.441
36 1HB ASN 8 HB2 ASN 8 9.644 -5.849 -7.968
37 2HB ASN 8 HB1 ASN 8 8.568 -5.666 -9.349
38 1HD2 ASN 8 HD21 ASN 8 10.796 -3.986 -8.227
39 2HD2 ASN 8 HD22 ASN 8 10.098 -2.412 -8.085
40 H SER 9 HN SER 9 5.960 -4.373 -6.423
41 HA SER 9 HA SER 9 7.672 -3.674 -4.229
42 1HB SER 9 HB2 SER 9 4.836 -2.768 -4.793
43 2HB SER 9 HB1 SER 9 6.049 -1.971 -3.793
44 HG SER 9 HG SER 9 5.758 -1.147 -6.007
45 H LYS 10 HN LYS 10 7.491 -4.296 -2.147
46 HA LYS 10 HA LYS 10 5.125 -5.882 -1.353
47 1HB LYS 10 HB2 LYS 10 6.514 -7.366 -0.073
48 2HB LYS 10 HB1 LYS 10 7.055 -7.366 -1.745
49 1HG LYS 10 HG2 LYS 10 8.967 -6.079 -1.230
50 2HG LYS 10 HG1 LYS 10 8.402 -5.726 0.395
51 1HD LYS 10 HD2 LYS 10 10.103 -7.400 0.505
52 2HD LYS 10 HD1 LYS 10 8.555 -8.118 0.951
53 1HE LYS 10 HE2 LYS 10 8.352 -9.038 -1.326
54 2HE LYS 10 HE1 LYS 10 9.916 -8.332 -1.735
55 1HZ LYS 10 HZ1 LYS 10 10.104 -10.663 -1.167
56 2HZ LYS 10 HZ2 LYS 10 9.428 -10.385 0.357
57 3HZ LYS 10 HZ3 LYS 10 10.935 -9.717 -0.037
58 H GLY 11 HN GLY 11 4.175 -5.188 0.483
59 1HA GLY 11 HA2 GLY 11 5.682 -3.784 2.518
60 2HA GLY 11 HA1 GLY 11 4.657 -2.753 1.549
61 H ILE 12 HN ILE 12 3.242 -2.142 3.051
62 HA ILE 12 HA ILE 12 1.626 -4.250 4.354
63 HB ILE 12 HB ILE 12 2.517 -1.604 5.539
64 1HG1 ILE 12 HG12 ILE 12 4.413 -3.114 5.402
65 2HG1 ILE 12 HG11 ILE 12 3.900 -2.963 7.076
66 1HG2 ILE 12 HG21 ILE 12 0.929 -3.882 6.709
67 2HG2 ILE 12 HG22 ILE 12 0.384 -2.230 6.425
68 3HG2 ILE 12 HG23 ILE 12 1.603 -2.552 7.650
69 1HD1 ILE 12 HD11 ILE 12 2.740 -5.121 6.887
70 2HD1 ILE 12 HD12 ILE 12 4.467 -5.241 6.574
71 3HD1 ILE 12 HD13 ILE 12 3.331 -5.277 5.244
72 H TYR 13 HN TYR 13 -0.590 -3.902 4.394
73 HA TYR 13 HA TYR 13 -1.477 -1.471 3.000
74 1HB TYR 13 HB2 TYR 13 -3.437 -2.519 2.358
75 2HB TYR 13 HB1 TYR 13 -2.224 -3.760 2.162
76 HD1 TYR 13 HD1 TYR 13 -5.146 -2.681 4.087
77 HD2 TYR 13 HD2 TYR 13 -2.236 -5.753 3.586
78 HE1 TYR 13 HE1 TYR 13 -6.485 -4.191 5.455
79 HE2 TYR 13 HE2 TYR 13 -3.607 -7.275 4.938
80 HH TYR 13 HH TYR 13 -5.725 -6.549 6.957
81 H TRP 14 HN TRP 14 -2.651 0.014 3.950
82 HA TRP 14 HA TRP 14 -2.975 -0.172 6.861
83 1HB TRP 14 HB2 TRP 14 -3.007 2.213 4.982
84 2HB TRP 14 HB1 TRP 14 -3.144 2.295 6.736
85 HD1 TRP 14 HD1 TRP 14 -0.557 0.478 4.442
86 HE1 TRP 14 HE1 TRP 14 1.792 1.115 5.239
87 HE3 TRP 14 HE3 TRP 14 -1.808 3.709 8.206
88 HZ2 TRP 14 HZ2 TRP 14 2.969 2.777 7.186
89 HZ3 TRP 14 HZ3 TRP 14 -0.010 4.790 9.475
90 HH2 TRP 14 HH2 TRP 14 2.332 4.330 8.976
91 H PHE 15 HN PHE 15 -4.966 0.393 7.837
92 HA PHE 15 HA PHE 15 -7.198 -0.467 6.253
93 1HB PHE 15 HB2 PHE 15 -7.016 0.414 9.132
94 2HB PHE 15 HB1 PHE 15 -8.490 -0.198 8.384
95 HD1 PHE 15 HD1 PHE 15 -5.456 -1.089 10.035
96 HD2 PHE 15 HD2 PHE 15 -8.409 -2.510 7.321
97 HE1 PHE 15 HE1 PHE 15 -4.749 -3.400 10.478
98 HE2 PHE 15 HE2 PHE 15 -7.705 -4.828 7.759
99 HZ PHE 15 HZ PHE 15 -5.872 -5.273 9.342
100 H TYR 16 HN TYR 16 -7.355 1.152 4.716
101 HA TYR 16 HA TYR 16 -8.178 2.939 3.677
102 1HB TYR 16 HB2 TYR 16 -9.974 2.889 6.104
103 2HB TYR 16 HB1 TYR 16 -10.226 3.989 4.749
104 HD1 TYR 16 HD1 TYR 16 -10.151 2.777 2.362
105 HD2 TYR 16 HD2 TYR 16 -11.189 0.900 6.044
106 HE1 TYR 16 HE1 TYR 16 -11.375 1.041 1.130
107 HE2 TYR 16 HE2 TYR 16 -12.411 -0.839 4.813
108 HH TYR 16 HH TYR 16 -13.597 -0.815 2.287
109 H ARG 17 HN ARG 17 -6.192 4.030 3.854
110 HA ARG 17 HA ARG 17 -6.456 6.517 5.365
111 1HB ARG 17 HB2 ARG 17 -4.252 4.540 5.720
112 2HB ARG 17 HB1 ARG 17 -3.901 6.257 5.817
113 1HG ARG 17 HG2 ARG 17 -5.678 6.441 7.570
114 2HG ARG 17 HG1 ARG 17 -5.801 4.680 7.537
115 1HD ARG 17 HD2 ARG 17 -4.371 5.491 9.343
116 2HD ARG 17 HD1 ARG 17 -3.518 4.463 8.219
117 HE ARG 17 HE ARG 17 -2.614 6.554 7.198
118 1HH1 ARG 17 HH11 ARG 17 -3.565 6.498 10.582
119 2HH1 ARG 17 HH12 ARG 17 -2.557 7.830 10.982
120 1HH2 ARG 17 HH21 ARG 17 -1.324 8.324 7.752
121 2HH2 ARG 17 HH22 ARG 17 -1.282 8.870 9.396
122 HA PRO 18 HA PRO 18 -5.077 7.498 1.081
123 1HB PRO 18 HB2 PRO 18 -6.058 10.083 1.268
124 2HB PRO 18 HB1 PRO 18 -6.974 8.698 0.675
125 1HG PRO 18 HG2 PRO 18 -6.994 9.950 3.385
126 2HG PRO 18 HG1 PRO 18 -8.350 9.345 2.416
127 1HD PRO 18 HD2 PRO 18 -7.341 7.954 4.457
128 2HD PRO 18 HD1 PRO 18 -7.951 7.143 3.002
129 H SER 19 HN SER 19 -4.461 8.621 4.260
130 HA SER 19 HA SER 19 -2.256 10.354 3.432
131 1HB SER 19 HB2 SER 19 -3.361 9.870 6.214
132 2HB SER 19 HB1 SER 19 -2.253 11.145 5.702
133 HG SER 19 HG SER 19 -4.544 11.730 5.911
134 H CYS 20 HN CYS 20 -1.385 8.179 2.638
135 HA CYS 20 HA CYS 20 -0.263 6.530 4.751
136 1HB CYS 20 HB2 CYS 20 -1.278 5.464 2.797
137 2HB CYS 20 HB1 CYS 20 -0.068 6.214 1.761
138 HA PRO 21 HA PRO 21 3.291 9.242 4.709
139 1HB PRO 21 HB2 PRO 21 4.587 7.204 6.408
140 2HB PRO 21 HB1 PRO 21 4.143 8.870 6.767
141 1HG PRO 21 HG2 PRO 21 2.852 6.743 7.817
142 2HG PRO 21 HG1 PRO 21 2.060 8.298 7.505
143 1HD PRO 21 HD2 PRO 21 1.938 5.756 5.945
144 2HD PRO 21 HD1 PRO 21 0.676 6.957 6.294
145 H THR 22 HN THR 22 4.252 9.150 2.720
146 HA THR 22 HA THR 22 5.284 6.717 1.639
147 HB THR 22 HB THR 22 6.158 8.358 -0.179
148 HG1 THR 22 HG1 THR 22 5.452 10.425 -0.013
149 1HG2 THR 22 HG21 THR 22 3.931 8.599 -1.134
150 2HG2 THR 22 HG22 THR 22 3.203 8.192 0.419
151 3HG2 THR 22 HG23 THR 22 4.154 6.988 -0.454
152 H ASP 23 HN ASP 23 6.558 8.310 4.063
153 HA ASP 23 HA ASP 23 9.222 8.834 3.218
154 1HB ASP 23 HB2 ASP 23 8.142 8.476 6.032
155 2HB ASP 23 HB1 ASP 23 9.653 9.258 5.574
156 H ARG 24 HN ARG 24 7.570 5.996 3.730
157 HA ARG 24 HA ARG 24 9.867 4.476 4.692
158 1HB ARG 24 HB2 ARG 24 6.997 3.786 4.063
159 2HB ARG 24 HB1 ARG 24 8.204 2.545 4.373
160 1HG ARG 24 HG2 ARG 24 7.770 4.776 6.339
161 2HG ARG 24 HG1 ARG 24 6.694 3.380 6.297
162 1HD ARG 24 HD2 ARG 24 9.675 3.058 6.447
163 2HD ARG 24 HD1 ARG 24 8.708 3.334 7.880
164 HE ARG 24 HE ARG 24 7.424 1.316 7.304
165 1HH1 ARG 24 HH11 ARG 24 10.681 1.637 5.984
166 2HH1 ARG 24 HH12 ARG 24 10.893 -0.061 5.840
167 1HH2 ARG 24 HH21 ARG 24 7.740 -0.916 7.083
168 2HH2 ARG 24 HH22 ARG 24 9.238 -1.507 6.477
169 H GLY 25 HN GLY 25 9.016 5.881 1.871
170 1HA GLY 25 HA2 GLY 25 9.888 5.639 -0.206
171 2HA GLY 25 HA1 GLY 25 10.718 4.186 0.328
172 H TYR 26 HN TYR 26 7.232 4.938 0.372
173 HA TYR 26 HA TYR 26 6.567 2.367 -0.630
174 1HB TYR 26 HB2 TYR 26 4.914 4.873 -0.304
175 2HB TYR 26 HB1 TYR 26 4.234 3.348 -0.860
176 HD1 TYR 26 HD1 TYR 26 4.261 5.278 1.882
177 HD2 TYR 26 HD2 TYR 26 5.279 1.321 0.780
178 HE1 TYR 26 HE1 TYR 26 3.901 4.548 4.197
179 HE2 TYR 26 HE2 TYR 26 4.928 0.572 3.098
180 HH TYR 26 HH TYR 26 5.025 2.112 5.557
181 H THR 27 HN THR 27 6.589 1.644 -2.635
182 HA THR 27 HA THR 27 6.938 3.520 -4.844
183 HB THR 27 HB THR 27 7.150 0.488 -4.783
184 HG1 THR 27 HG1 THR 27 8.841 1.270 -3.614
185 1HG2 THR 27 HG21 THR 27 8.446 0.896 -6.907
186 2HG2 THR 27 HG22 THR 27 7.785 2.529 -6.916
187 3HG2 THR 27 HG23 THR 27 6.706 1.136 -7.024
188 H GLY 28 HN GLY 28 4.797 0.831 -3.893
189 1HA GLY 28 HA2 GLY 28 2.979 1.598 -6.098
190 2HA GLY 28 HA1 GLY 28 3.105 0.011 -5.365
191 H SER 29 HN SER 29 0.941 2.177 -5.698
192 HA SER 29 HA SER 29 -0.096 1.917 -2.940
193 1HB SER 29 HB2 SER 29 0.536 4.280 -3.598
194 2HB SER 29 HB1 SER 29 -0.757 4.211 -4.793
195 HG SER 29 HG SER 29 -1.593 5.085 -2.926
196 H CYS 30 HN CYS 30 -1.502 0.315 -3.123
197 HA CYS 30 HA CYS 30 -3.438 0.332 -5.378
198 1HB CYS 30 HB2 CYS 30 -2.572 -2.087 -3.784
199 2HB CYS 30 HB1 CYS 30 -3.472 -2.040 -5.286
200 H ARG 31 HN ARG 31 -5.540 -0.812 -4.710
201 HA ARG 31 HA ARG 31 -6.165 -0.082 -1.920
202 1HB ARG 31 HB2 ARG 31 -7.767 0.772 -3.614
203 2HB ARG 31 HB1 ARG 31 -8.136 -0.893 -4.071
204 1HG ARG 31 HG2 ARG 31 -8.566 -1.100 -1.436
205 2HG ARG 31 HG1 ARG 31 -8.812 0.621 -1.602
206 1HD ARG 31 HD2 ARG 31 -10.594 0.311 -3.096
207 2HD ARG 31 HD1 ARG 31 -10.236 -1.408 -3.302
208 HE ARG 31 HE ARG 31 -10.706 -1.193 -0.633
209 1HH1 ARG 31 HH11 ARG 31 -12.544 -0.290 -3.491
210 2HH1 ARG 31 HH12 ARG 31 -14.061 -0.434 -2.690
211 1HH2 ARG 31 HH21 ARG 31 -12.728 -1.361 0.399
212 2HH2 ARG 31 HH22 ARG 31 -14.180 -1.041 -0.488
213 H TYR 32 HN TYR 32 -6.502 -1.624 -0.467
214 HA TYR 32 HA TYR 32 -6.651 -4.419 -1.410
215 1HB TYR 32 HB2 TYR 32 -4.773 -3.576 0.252
216 2HB TYR 32 HB1 TYR 32 -6.051 -3.686 1.449
217 HD1 TYR 32 HD1 TYR 32 -4.093 -5.590 -1.030
218 HD2 TYR 32 HD2 TYR 32 -6.785 -5.833 2.251
219 HE1 TYR 32 HE1 TYR 32 -3.666 -8.003 -0.872
220 HE2 TYR 32 HE2 TYR 32 -6.380 -8.249 2.411
221 HH TYR 32 HH TYR 32 -5.402 -10.094 0.301
222 H PHE 33 HN PHE 33 -8.191 -5.760 -0.142
223 HA PHE 33 HA PHE 33 -10.723 -4.720 -0.248
224 1HB PHE 33 HB2 PHE 33 -10.083 -7.133 -0.088
225 2HB PHE 33 HB1 PHE 33 -9.880 -6.936 1.632
226 HD1 PHE 33 HD1 PHE 33 -11.786 -6.891 3.088
227 HD2 PHE 33 HD2 PHE 33 -12.313 -6.898 -1.128
228 HE1 PHE 33 HE1 PHE 33 -14.177 -7.339 3.403
229 HE2 PHE 33 HE2 PHE 33 -14.705 -7.364 -0.824
230 HZ PHE 33 HZ PHE 33 -15.641 -7.585 1.441
231 H LEU 34 HN LEU 34 -8.489 -4.564 2.483
232 HA LEU 34 HA LEU 34 -10.599 -3.375 4.150
233 1HB LEU 34 HB2 LEU 34 -7.928 -4.462 4.926
234 2HB LEU 34 HB1 LEU 34 -9.097 -3.830 6.029
235 HG LEU 34 HG LEU 34 -9.261 -6.139 6.247
236 1HD1 LEU 34 HD11 LEU 34 -11.425 -5.340 4.306
237 2HD1 LEU 34 HD12 LEU 34 -11.428 -5.041 6.040
238 3HD1 LEU 34 HD13 LEU 34 -11.477 -6.693 5.431
239 1HD2 LEU 34 HD21 LEU 34 -9.387 -6.427 3.266
240 2HD2 LEU 34 HD22 LEU 34 -9.358 -7.713 4.444
241 3HD2 LEU 34 HD23 LEU 34 -7.943 -6.689 4.219
242 H GLY 35 HN GLY 35 -8.311 -2.171 2.089
243 1HA GLY 35 HA2 GLY 35 -8.642 0.395 2.814
244 2HA GLY 35 HA1 GLY 35 -7.345 -0.123 3.840
245 H THR 36 HN THR 36 -5.709 1.039 3.102
246 HA THR 36 HA THR 36 -5.232 1.189 0.214
247 HB THR 36 HB THR 36 -4.054 2.821 2.490
248 HG1 THR 36 HG1 THR 36 -6.183 3.430 0.665
249 1HG2 THR 36 HG21 THR 36 -3.947 3.152 -0.514
250 2HG2 THR 36 HG22 THR 36 -2.590 2.877 0.578
251 3HG2 THR 36 HG23 THR 36 -3.480 4.393 0.647
252 H CYS 37 HN CYS 37 -3.813 -0.204 -0.590
253 HA CYS 37 HA CYS 37 -1.874 -1.527 1.079
254 1HB CYS 37 HB2 CYS 37 -3.065 -2.813 -0.580
255 2HB CYS 37 HB1 CYS 37 -2.481 -1.759 -1.844
256 H CYS 38 HN CYS 38 -0.109 -0.397 1.638
257 HA CYS 38 HA CYS 38 1.196 1.289 -0.408
258 1HB CYS 38 HB2 CYS 38 1.512 1.238 2.601
259 2HB CYS 38 HB1 CYS 38 2.365 2.304 1.501
260 H THR 39 HN THR 39 2.681 0.172 -1.510
261 HA THR 39 HA THR 39 4.281 -1.822 -0.059
262 HB THR 39 HB THR 39 4.485 -2.935 -2.320
263 HG1 THR 39 HG1 THR 39 2.217 -1.324 -2.967
264 1HG2 THR 39 HG21 THR 39 3.116 -4.137 -0.993
265 2HG2 THR 39 HG22 THR 39 1.942 -3.624 -2.189
266 3HG2 THR 39 HG23 THR 39 2.045 -2.787 -0.640
267 HA PRO 40 HA PRO 40 7.779 0.416 -1.809
268 1HB PRO 40 HB2 PRO 40 9.452 0.021 0.310
269 2HB PRO 40 HB1 PRO 40 8.283 1.309 0.212
270 1HG PRO 40 HG2 PRO 40 8.219 -1.015 1.939
271 2HG PRO 40 HG1 PRO 40 7.295 0.488 2.030
272 1HD PRO 40 HD2 PRO 40 6.510 -2.066 0.953
273 2HD PRO 40 HD1 PRO 40 5.497 -0.673 1.288
274 H ALA 41 HN ALA 41 9.157 -1.935 0.320
275 HA ALA 41 HA ALA 41 9.451 -4.137 -1.341
276 1HB ALA 41 HB1 ALA 41 11.829 -3.858 -1.982
277 2HB ALA 41 HB2 ALA 41 11.751 -2.190 -1.412
278 3HB ALA 41 HB3 ALA 41 10.767 -2.701 -2.780
279 H ASP 42 HN ASP 42 8.906 -3.461 1.395
280 HA ASP 42 HA ASP 42 11.295 -4.511 2.773
281 1HB ASP 42 HB2 ASP 42 10.852 -2.190 3.365
282 2HB ASP 42 HB1 ASP 42 9.188 -2.590 3.779
Start of MODEL 20
1 1H GLY 1 HT1 GLY 1 3.262 -8.538 10.149
2 2H GLY 1 HT2 GLY 1 4.065 -7.198 10.796
3 3H GLY 1 HT3 GLY 1 3.952 -7.381 9.120
4 1HA GLY 1 HA1 GLY 1 1.689 -6.906 10.981
5 2HA GLY 1 HA2 GLY 1 2.408 -5.704 9.917
6 H THR 2 HN THR 2 0.304 -5.429 8.989
7 HA THR 2 HA THR 2 -0.922 -7.631 7.563
8 HB THR 2 HB THR 2 -2.392 -5.673 6.699
9 HG1 THR 2 HG1 THR 2 -1.344 -4.218 8.864
10 1HG2 THR 2 HG21 THR 2 -3.114 -7.204 8.453
11 2HG2 THR 2 HG22 THR 2 -3.651 -5.554 8.766
12 3HG2 THR 2 HG23 THR 2 -2.271 -6.212 9.644
13 H ALA 3 HN ALA 3 1.020 -8.132 6.328
14 HA ALA 3 HA ALA 3 2.043 -6.252 4.465
15 1HB ALA 3 HB1 ALA 3 3.434 -7.967 5.475
16 2HB ALA 3 HB2 ALA 3 3.484 -8.051 3.715
17 3HB ALA 3 HB3 ALA 3 2.519 -9.214 4.629
18 H CYS 4 HN CYS 4 1.800 -6.098 2.283
19 HA CYS 4 HA CYS 4 0.063 -8.002 0.879
20 1HB CYS 4 HB2 CYS 4 -1.218 -6.188 -0.163
21 2HB CYS 4 HB1 CYS 4 -1.436 -6.196 1.579
22 H SER 5 HN SER 5 0.209 -7.620 -1.543
23 HA SER 5 HA SER 5 2.883 -6.555 -2.243
24 1HB SER 5 HB2 SER 5 1.670 -9.100 -3.340
25 2HB SER 5 HB1 SER 5 3.300 -8.474 -3.608
26 HG SER 5 HG SER 5 3.418 -10.028 -2.019
27 H CYS 6 HN CYS 6 3.079 -5.504 -4.124
28 HA CYS 6 HA CYS 6 0.780 -5.428 -5.979
29 1HB CYS 6 HB2 CYS 6 2.571 -3.137 -5.145
30 2HB CYS 6 HB1 CYS 6 1.486 -3.080 -6.527
31 H GLY 7 HN GLY 7 1.921 -7.205 -6.997
32 1HA GLY 7 HA2 GLY 7 3.169 -8.010 -8.721
33 2HA GLY 7 HA1 GLY 7 3.505 -6.348 -9.180
34 H ASN 8 HN ASN 8 5.398 -5.376 -8.508
35 HA ASN 8 HA ASN 8 7.485 -7.235 -7.590
36 1HB ASN 8 HB2 ASN 8 7.904 -5.964 -9.643
37 2HB ASN 8 HB1 ASN 8 7.681 -4.452 -8.771
38 1HD2 ASN 8 HD21 ASN 8 9.335 -3.689 -7.452
39 2HD2 ASN 8 HD22 ASN 8 10.903 -4.414 -7.429
40 H SER 9 HN SER 9 5.684 -4.412 -6.599
41 HA SER 9 HA SER 9 7.504 -3.760 -4.451
42 1HB SER 9 HB2 SER 9 4.724 -2.699 -5.031
43 2HB SER 9 HB1 SER 9 5.922 -1.989 -3.947
44 HG SER 9 HG SER 9 6.044 -0.920 -5.895
45 H LYS 10 HN LYS 10 7.203 -4.171 -2.291
46 HA LYS 10 HA LYS 10 4.822 -5.711 -1.466
47 1HB LYS 10 HB2 LYS 10 7.694 -6.440 -0.925
48 2HB LYS 10 HB1 LYS 10 6.328 -7.195 -0.121
49 1HG LYS 10 HG2 LYS 10 5.529 -8.128 -2.170
50 2HG LYS 10 HG1 LYS 10 6.745 -7.259 -3.107
51 1HD LYS 10 HD2 LYS 10 7.337 -9.358 -1.010
52 2HD LYS 10 HD1 LYS 10 7.320 -9.635 -2.753
53 1HE LYS 10 HE2 LYS 10 9.118 -8.016 -3.045
54 2HE LYS 10 HE1 LYS 10 9.136 -7.694 -1.315
55 1HZ LYS 10 HZ1 LYS 10 9.764 -10.292 -2.583
56 2HZ LYS 10 HZ2 LYS 10 9.767 -9.980 -0.919
57 3HZ LYS 10 HZ3 LYS 10 10.879 -9.202 -1.928
58 H GLY 11 HN GLY 11 4.020 -5.096 0.476
59 1HA GLY 11 HA2 GLY 11 5.651 -3.831 2.496
60 2HA GLY 11 HA1 GLY 11 4.646 -2.711 1.612
61 H ILE 12 HN ILE 12 3.193 -2.093 3.069
62 HA ILE 12 HA ILE 12 1.636 -4.197 4.442
63 HB ILE 12 HB ILE 12 2.413 -1.488 5.554
64 1HG1 ILE 12 HG12 ILE 12 4.411 -2.867 5.359
65 2HG1 ILE 12 HG11 ILE 12 3.952 -2.699 7.046
66 1HG2 ILE 12 HG21 ILE 12 1.078 -3.869 6.833
67 2HG2 ILE 12 HG22 ILE 12 0.350 -2.303 6.494
68 3HG2 ILE 12 HG23 ILE 12 1.628 -2.436 7.693
69 1HD1 ILE 12 HD11 ILE 12 2.704 -5.056 6.165
70 2HD1 ILE 12 HD12 ILE 12 4.102 -4.890 7.217
71 3HD1 ILE 12 HD13 ILE 12 4.325 -5.062 5.480
72 H TYR 13 HN TYR 13 -0.585 -3.944 4.477
73 HA TYR 13 HA TYR 13 -1.601 -1.582 3.075
74 1HB TYR 13 HB2 TYR 13 -3.478 -2.735 2.405
75 2HB TYR 13 HB1 TYR 13 -2.252 -3.955 2.311
76 HD1 TYR 13 HD1 TYR 13 -2.166 -5.815 3.938
77 HD2 TYR 13 HD2 TYR 13 -5.304 -2.926 3.976
78 HE1 TYR 13 HE1 TYR 13 -3.533 -7.315 5.324
79 HE2 TYR 13 HE2 TYR 13 -6.629 -4.419 5.390
80 HH TYR 13 HH TYR 13 -5.755 -6.640 7.135
81 H TRP 14 HN TRP 14 -2.964 -0.205 3.971
82 HA TRP 14 HA TRP 14 -3.321 -0.371 6.882
83 1HB TRP 14 HB2 TRP 14 -3.387 1.935 4.921
84 2HB TRP 14 HB1 TRP 14 -3.806 2.076 6.627
85 HD1 TRP 14 HD1 TRP 14 -0.719 0.767 4.634
86 HE1 TRP 14 HE1 TRP 14 1.390 1.572 5.877
87 HE3 TRP 14 HE3 TRP 14 -2.946 3.186 8.516
88 HZ2 TRP 14 HZ2 TRP 14 2.015 3.047 8.205
89 HZ3 TRP 14 HZ3 TRP 14 -1.543 4.283 10.215
90 HH2 TRP 14 HH2 TRP 14 0.894 4.209 10.057
91 H PHE 15 HN PHE 15 -5.355 0.299 7.773
92 HA PHE 15 HA PHE 15 -7.576 -0.657 6.145
93 1HB PHE 15 HB2 PHE 15 -7.398 0.060 9.070
94 2HB PHE 15 HB1 PHE 15 -8.859 -0.524 8.281
95 HD1 PHE 15 HD1 PHE 15 -5.664 -1.450 9.717
96 HD2 PHE 15 HD2 PHE 15 -8.927 -2.817 7.353
97 HE1 PHE 15 HE1 PHE 15 -4.964 -3.775 10.098
98 HE2 PHE 15 HE2 PHE 15 -8.227 -5.147 7.721
99 HZ PHE 15 HZ PHE 15 -6.247 -5.629 9.103
100 H TYR 16 HN TYR 16 -8.594 0.757 4.930
101 HA TYR 16 HA TYR 16 -9.506 2.624 4.078
102 1HB TYR 16 HB2 TYR 16 -10.438 2.665 6.946
103 2HB TYR 16 HB1 TYR 16 -11.075 3.770 5.730
104 HD1 TYR 16 HD1 TYR 16 -11.487 0.579 7.218
105 HD2 TYR 16 HD2 TYR 16 -11.976 2.678 3.545
106 HE1 TYR 16 HE1 TYR 16 -13.089 -1.125 6.461
107 HE2 TYR 16 HE2 TYR 16 -13.576 0.985 2.782
108 HH TYR 16 HH TYR 16 -13.877 -1.785 3.618
109 H ARG 17 HN ARG 17 -7.500 3.677 3.600
110 HA ARG 17 HA ARG 17 -7.137 6.121 5.210
111 1HB ARG 17 HB2 ARG 17 -4.928 4.708 3.732
112 2HB ARG 17 HB1 ARG 17 -4.790 6.115 4.778
113 1HG ARG 17 HG2 ARG 17 -5.623 3.355 5.670
114 2HG ARG 17 HG1 ARG 17 -4.015 4.057 5.823
115 1HD ARG 17 HD2 ARG 17 -4.700 5.634 7.365
116 2HD ARG 17 HD1 ARG 17 -6.403 5.425 7.019
117 HE ARG 17 HE ARG 17 -6.110 3.108 7.968
118 1HH1 ARG 17 HH11 ARG 17 -4.199 5.848 9.099
119 2HH1 ARG 17 HH12 ARG 17 -3.993 5.178 10.667
120 1HH2 ARG 17 HH21 ARG 17 -5.818 2.259 10.042
121 2HH2 ARG 17 HH22 ARG 17 -4.906 3.147 11.216
122 HA PRO 18 HA PRO 18 -8.554 7.736 1.238
123 1HB PRO 18 HB2 PRO 18 -7.911 10.325 2.561
124 2HB PRO 18 HB1 PRO 18 -9.414 9.767 1.819
125 1HG PRO 18 HG2 PRO 18 -9.160 9.940 4.467
126 2HG PRO 18 HG1 PRO 18 -10.082 8.625 3.714
127 1HD PRO 18 HD2 PRO 18 -7.323 8.586 4.876
128 2HD PRO 18 HD1 PRO 18 -8.627 7.381 4.976
129 H SER 19 HN SER 19 -5.476 8.108 2.730
130 HA SER 19 HA SER 19 -4.247 8.600 0.157
131 1HB SER 19 HB2 SER 19 -2.738 10.358 1.258
132 2HB SER 19 HB1 SER 19 -4.390 10.857 0.900
133 HG SER 19 HG SER 19 -3.248 10.209 3.396
134 H CYS 20 HN CYS 20 -2.085 7.852 0.083
135 HA CYS 20 HA CYS 20 -1.507 5.808 2.042
136 1HB CYS 20 HB2 CYS 20 -1.152 5.301 -0.285
137 2HB CYS 20 HB1 CYS 20 -0.002 6.625 -0.430
138 HA PRO 21 HA PRO 21 0.824 8.810 4.442
139 1HB PRO 21 HB2 PRO 21 1.591 6.449 6.057
140 2HB PRO 21 HB1 PRO 21 0.727 7.916 6.525
141 1HG PRO 21 HG2 PRO 21 -0.510 5.541 6.309
142 2HG PRO 21 HG1 PRO 21 -1.323 7.066 5.911
143 1HD PRO 21 HD2 PRO 21 -0.122 5.021 4.083
144 2HD PRO 21 HD1 PRO 21 -1.635 5.935 3.940
145 H THR 22 HN THR 22 2.845 9.513 4.125
146 HA THR 22 HA THR 22 4.765 7.854 2.751
147 HB THR 22 HB THR 22 5.352 10.612 3.871
148 HG1 THR 22 HG1 THR 22 3.791 10.028 1.535
149 1HG2 THR 22 HG21 THR 22 7.137 9.381 2.721
150 2HG2 THR 22 HG22 THR 22 6.634 10.808 1.816
151 3HG2 THR 22 HG23 THR 22 6.099 9.208 1.305
152 H ASP 23 HN ASP 23 4.424 6.481 4.945
153 HA ASP 23 HA ASP 23 6.133 7.358 7.107
154 1HB ASP 23 HB2 ASP 23 3.989 6.216 7.543
155 2HB ASP 23 HB1 ASP 23 4.595 4.768 6.753
156 H ARG 24 HN ARG 24 5.995 4.267 5.279
157 HA ARG 24 HA ARG 24 8.843 3.861 5.781
158 1HB ARG 24 HB2 ARG 24 6.769 2.150 4.442
159 2HB ARG 24 HB1 ARG 24 8.459 1.710 4.511
160 1HG ARG 24 HG2 ARG 24 8.214 1.864 7.046
161 2HG ARG 24 HG1 ARG 24 6.472 1.862 6.743
162 1HD ARG 24 HD2 ARG 24 6.886 -0.205 5.297
163 2HD ARG 24 HD1 ARG 24 8.499 -0.223 6.011
164 HE ARG 24 HE ARG 24 6.437 -0.170 7.994
165 1HH1 ARG 24 HH11 ARG 24 8.256 -2.253 5.829
166 2HH1 ARG 24 HH12 ARG 24 7.887 -3.682 6.713
167 1HH2 ARG 24 HH21 ARG 24 5.965 -2.095 9.156
168 2HH2 ARG 24 HH22 ARG 24 6.592 -3.608 8.592
169 H GLY 25 HN GLY 25 7.706 5.961 3.810
170 1HA GLY 25 HA2 GLY 25 8.220 6.770 1.757
171 2HA GLY 25 HA1 GLY 25 9.698 5.825 1.883
172 H TYR 26 HN TYR 26 6.526 4.410 2.015
173 HA TYR 26 HA TYR 26 6.708 2.348 0.294
174 1HB TYR 26 HB2 TYR 26 4.292 4.160 0.466
175 2HB TYR 26 HB1 TYR 26 4.305 2.466 -0.003
176 HD1 TYR 26 HD1 TYR 26 3.779 4.701 2.649
177 HD2 TYR 26 HD2 TYR 26 5.204 0.826 1.831
178 HE1 TYR 26 HE1 TYR 26 3.299 4.047 4.972
179 HE2 TYR 26 HE2 TYR 26 4.749 0.123 4.139
180 HH TYR 26 HH TYR 26 4.339 2.068 6.595
181 H THR 27 HN THR 27 6.602 1.964 -1.878
182 HA THR 27 HA THR 27 6.946 4.291 -3.626
183 HB THR 27 HB THR 27 7.405 1.359 -4.275
184 HG1 THR 27 HG1 THR 27 9.271 3.318 -3.318
185 1HG2 THR 27 HG21 THR 27 8.894 2.313 -6.009
186 2HG2 THR 27 HG22 THR 27 8.327 3.926 -5.582
187 3HG2 THR 27 HG23 THR 27 7.202 2.742 -6.251
188 H GLY 28 HN GLY 28 5.109 1.228 -3.518
189 1HA GLY 28 HA2 GLY 28 3.330 2.227 -5.638
190 2HA GLY 28 HA1 GLY 28 3.431 0.585 -5.027
191 H SER 29 HN SER 29 1.207 2.653 -5.308
192 HA SER 29 HA SER 29 0.111 2.274 -2.583
193 1HB SER 29 HB2 SER 29 -0.401 4.641 -4.402
194 2HB SER 29 HB1 SER 29 -1.010 4.403 -2.762
195 HG SER 29 HG SER 29 0.907 5.775 -3.005
196 H CYS 30 HN CYS 30 -0.989 0.415 -3.142
197 HA CYS 30 HA CYS 30 -3.016 0.613 -5.298
198 1HB CYS 30 HB2 CYS 30 -2.240 -1.898 -3.815
199 2HB CYS 30 HB1 CYS 30 -2.989 -1.736 -5.395
200 H ARG 31 HN ARG 31 -5.174 -0.404 -4.730
201 HA ARG 31 HA ARG 31 -5.782 0.100 -1.887
202 1HB ARG 31 HB2 ARG 31 -7.332 1.192 -3.467
203 2HB ARG 31 HB1 ARG 31 -7.763 -0.389 -4.126
204 1HG ARG 31 HG2 ARG 31 -8.342 -0.986 -1.666
205 2HG ARG 31 HG1 ARG 31 -8.298 0.739 -1.398
206 1HD ARG 31 HD2 ARG 31 -10.082 1.065 -2.905
207 2HD ARG 31 HD1 ARG 31 -10.025 -0.604 -3.464
208 HE ARG 31 HE ARG 31 -10.571 -1.150 -1.004
209 1HH1 ARG 31 HH11 ARG 31 -11.822 1.645 -2.747
210 2HH1 ARG 31 HH12 ARG 31 -13.252 1.725 -1.799
211 1HH2 ARG 31 HH21 ARG 31 -12.500 -1.010 0.230
212 2HH2 ARG 31 HH22 ARG 31 -13.651 0.236 -0.123
213 H TYR 32 HN TYR 32 -6.283 -1.511 -0.564
214 HA TYR 32 HA TYR 32 -6.490 -4.232 -1.698
215 1HB TYR 32 HB2 TYR 32 -4.624 -3.603 0.015
216 2HB TYR 32 HB1 TYR 32 -5.906 -3.634 1.205
217 HD1 TYR 32 HD1 TYR 32 -4.158 -5.666 -1.363
218 HD2 TYR 32 HD2 TYR 32 -6.678 -5.717 2.071
219 HE1 TYR 32 HE1 TYR 32 -3.900 -8.101 -1.215
220 HE2 TYR 32 HE2 TYR 32 -6.422 -8.157 2.224
221 HH TYR 32 HH TYR 32 -4.234 -9.850 1.132
222 H PHE 33 HN PHE 33 -8.046 -5.615 -0.445
223 HA PHE 33 HA PHE 33 -10.578 -4.610 -0.630
224 1HB PHE 33 HB2 PHE 33 -9.645 -6.838 1.180
225 2HB PHE 33 HB1 PHE 33 -11.325 -6.544 0.754
226 HD1 PHE 33 HD1 PHE 33 -8.132 -7.900 -0.331
227 HD2 PHE 33 HD2 PHE 33 -12.085 -6.888 -1.568
228 HE1 PHE 33 HE1 PHE 33 -7.856 -9.278 -2.349
229 HE2 PHE 33 HE2 PHE 33 -11.808 -8.266 -3.581
230 HZ PHE 33 HZ PHE 33 -9.694 -9.460 -3.976
231 H LEU 34 HN LEU 34 -8.500 -4.511 2.234
232 HA LEU 34 HA LEU 34 -10.706 -3.382 3.805
233 1HB LEU 34 HB2 LEU 34 -7.996 -4.302 4.651
234 2HB LEU 34 HB1 LEU 34 -9.227 -3.739 5.718
235 HG LEU 34 HG LEU 34 -9.290 -6.055 5.945
236 1HD1 LEU 34 HD11 LEU 34 -11.451 -6.684 5.160
237 2HD1 LEU 34 HD12 LEU 34 -11.419 -5.460 3.893
238 3HD1 LEU 34 HD13 LEU 34 -11.500 -4.977 5.590
239 1HD2 LEU 34 HD21 LEU 34 -9.393 -6.407 2.971
240 2HD2 LEU 34 HD22 LEU 34 -9.196 -7.638 4.194
241 3HD2 LEU 34 HD23 LEU 34 -7.900 -6.486 3.889
242 H GLY 35 HN GLY 35 -8.238 -2.132 1.911
243 1HA GLY 35 HA2 GLY 35 -8.717 0.470 2.514
244 2HA GLY 35 HA1 GLY 35 -7.506 0.010 3.679
245 H THR 36 HN THR 36 -5.649 0.874 3.075
246 HA THR 36 HA THR 36 -5.072 1.059 0.194
247 HB THR 36 HB THR 36 -3.708 2.666 2.368
248 HG1 THR 36 HG1 THR 36 -6.224 3.253 1.118
249 1HG2 THR 36 HG21 THR 36 -2.802 2.768 0.084
250 2HG2 THR 36 HG22 THR 36 -3.516 4.305 0.571
251 3HG2 THR 36 HG23 THR 36 -4.393 3.235 -0.523
252 H CYS 37 HN CYS 37 -3.696 -0.421 -0.524
253 HA CYS 37 HA CYS 37 -1.757 -1.681 1.211
254 1HB CYS 37 HB2 CYS 37 -2.930 -3.089 -0.324
255 2HB CYS 37 HB1 CYS 37 -2.458 -2.090 -1.680
256 H CYS 38 HN CYS 38 -0.170 -0.269 1.731
257 HA CYS 38 HA CYS 38 1.121 1.241 -0.433
258 1HB CYS 38 HB2 CYS 38 1.310 1.425 2.576
259 2HB CYS 38 HB1 CYS 38 2.270 2.363 1.459
260 H THR 39 HN THR 39 2.762 0.298 -1.411
261 HA THR 39 HA THR 39 4.299 -1.713 0.069
262 HB THR 39 HB THR 39 4.636 -2.735 -2.230
263 HG1 THR 39 HG1 THR 39 2.387 -1.114 -2.931
264 1HG2 THR 39 HG21 THR 39 1.765 -2.651 -1.498
265 2HG2 THR 39 HG22 THR 39 2.907 -3.417 -0.414
266 3HG2 THR 39 HG23 THR 39 2.709 -4.016 -2.061
267 HA PRO 40 HA PRO 40 7.936 0.542 -1.369
268 1HB PRO 40 HB2 PRO 40 9.601 -0.288 0.610
269 2HB PRO 40 HB1 PRO 40 8.494 1.058 0.780
270 1HG PRO 40 HG2 PRO 40 8.273 -1.656 1.919
271 2HG PRO 40 HG1 PRO 40 7.653 -0.115 2.521
272 1HD PRO 40 HD2 PRO 40 6.270 -2.091 1.099
273 2HD PRO 40 HD1 PRO 40 5.628 -0.567 1.568
274 H ALA 41 HN ALA 41 9.462 -2.110 0.239
275 HA ALA 41 HA ALA 41 9.246 -3.966 -1.931
276 1HB ALA 41 HB1 ALA 41 11.904 -2.635 -1.418
277 2HB ALA 41 HB2 ALA 41 10.886 -2.390 -2.836
278 3HB ALA 41 HB3 ALA 41 11.599 -3.972 -2.530
279 H ASP 42 HN ASP 42 8.797 -3.885 1.004
280 HA ASP 42 HA ASP 42 10.635 -6.070 1.746
281 1HB ASP 42 HB2 ASP 42 11.325 -3.913 2.796
282 2HB ASP 42 HB1 ASP 42 9.758 -3.839 3.598
Start of MODEL 21
1 1H GLY 1 HT1 GLY 1 1.175 -9.865 10.576
2 2H GLY 1 HT2 GLY 1 2.839 -9.989 10.848
3 3H GLY 1 HT3 GLY 1 2.173 -10.603 9.421
4 1HA GLY 1 HA1 GLY 1 2.277 -7.746 10.218
5 2HA GLY 1 HA2 GLY 1 3.307 -8.511 9.014
6 H THR 2 HN THR 2 1.228 -6.313 8.904
7 HA THR 2 HA THR 2 -0.857 -7.433 7.224
8 HB THR 2 HB THR 2 -1.442 -4.905 6.994
9 HG1 THR 2 HG1 THR 2 -0.391 -3.545 8.374
10 1HG2 THR 2 HG21 THR 2 -2.650 -6.440 8.459
11 2HG2 THR 2 HG22 THR 2 -2.457 -4.851 9.199
12 3HG2 THR 2 HG23 THR 2 -1.440 -6.194 9.720
13 H ALA 3 HN ALA 3 1.136 -8.235 5.902
14 HA ALA 3 HA ALA 3 2.301 -6.293 4.167
15 1HB ALA 3 HB1 ALA 3 3.599 -8.166 4.996
16 2HB ALA 3 HB2 ALA 3 3.545 -8.155 3.234
17 3HB ALA 3 HB3 ALA 3 2.541 -9.288 4.143
18 H CYS 4 HN CYS 4 1.676 -5.751 2.186
19 HA CYS 4 HA CYS 4 -0.249 -7.487 0.760
20 1HB CYS 4 HB2 CYS 4 -1.126 -5.416 -0.300
21 2HB CYS 4 HB1 CYS 4 -1.431 -5.507 1.426
22 H SER 5 HN SER 5 0.188 -7.826 -1.422
23 HA SER 5 HA SER 5 2.840 -6.844 -2.291
24 1HB SER 5 HB2 SER 5 1.560 -9.472 -3.042
25 2HB SER 5 HB1 SER 5 3.216 -8.939 -3.350
26 HG SER 5 HG SER 5 2.014 -9.685 -0.912
27 H CYS 6 HN CYS 6 2.939 -5.748 -4.091
28 HA CYS 6 HA CYS 6 0.738 -5.935 -6.060
29 1HB CYS 6 HB2 CYS 6 2.516 -3.552 -5.492
30 2HB CYS 6 HB1 CYS 6 1.229 -3.637 -6.684
31 H GLY 7 HN GLY 7 1.920 -7.757 -6.928
32 1HA GLY 7 HA2 GLY 7 3.272 -8.665 -8.526
33 2HA GLY 7 HA1 GLY 7 3.704 -7.038 -9.034
34 H ASN 8 HN ASN 8 5.628 -6.178 -8.384
35 HA ASN 8 HA ASN 8 7.475 -7.986 -6.993
36 1HB ASN 8 HB2 ASN 8 8.197 -6.921 -9.098
37 2HB ASN 8 HB1 ASN 8 7.991 -5.333 -8.370
38 1HD2 ASN 8 HD21 ASN 8 9.528 -4.594 -6.885
39 2HD2 ASN 8 HD22 ASN 8 11.029 -5.414 -6.645
40 H SER 9 HN SER 9 5.650 -5.079 -6.510
41 HA SER 9 HA SER 9 7.274 -4.044 -4.403
42 1HB SER 9 HB2 SER 9 4.416 -3.338 -5.103
43 2HB SER 9 HB1 SER 9 5.566 -2.352 -4.209
44 HG SER 9 HG SER 9 5.400 -1.734 -6.413
45 H LYS 10 HN LYS 10 7.097 -4.353 -2.241
46 HA LYS 10 HA LYS 10 4.794 -5.904 -1.212
47 1HB LYS 10 HB2 LYS 10 7.638 -6.331 -0.283
48 2HB LYS 10 HB1 LYS 10 6.207 -7.285 0.093
49 1HG LYS 10 HG2 LYS 10 6.111 -8.054 -2.220
50 2HG LYS 10 HG1 LYS 10 7.526 -7.069 -2.597
51 1HD LYS 10 HD2 LYS 10 8.690 -8.395 -0.710
52 2HD LYS 10 HD1 LYS 10 7.326 -9.509 -0.856
53 1HE LYS 10 HE2 LYS 10 9.227 -10.253 -2.180
54 2HE LYS 10 HE1 LYS 10 7.857 -9.852 -3.215
55 1HZ LYS 10 HZ1 LYS 10 10.162 -9.024 -3.876
56 2HZ LYS 10 HZ2 LYS 10 9.981 -7.859 -2.666
57 3HZ LYS 10 HZ3 LYS 10 8.884 -7.925 -3.956
58 H GLY 11 HN GLY 11 3.856 -4.895 0.471
59 1HA GLY 11 HA2 GLY 11 5.492 -3.362 2.337
60 2HA GLY 11 HA1 GLY 11 4.412 -2.430 1.337
61 H ILE 12 HN ILE 12 3.231 -1.684 3.061
62 HA ILE 12 HA ILE 12 1.741 -3.709 4.601
63 HB ILE 12 HB ILE 12 2.630 -0.957 5.479
64 1HG1 ILE 12 HG12 ILE 12 4.552 -2.433 5.275
65 2HG1 ILE 12 HG11 ILE 12 4.197 -2.152 6.973
66 1HG2 ILE 12 HG21 ILE 12 1.960 -1.800 7.747
67 2HG2 ILE 12 HG22 ILE 12 1.206 -3.162 6.928
68 3HG2 ILE 12 HG23 ILE 12 0.627 -1.529 6.628
69 1HD1 ILE 12 HD11 ILE 12 3.049 -4.357 7.035
70 2HD1 ILE 12 HD12 ILE 12 4.767 -4.446 6.661
71 3HD1 ILE 12 HD13 ILE 12 3.580 -4.628 5.378
72 H TYR 13 HN TYR 13 -0.454 -3.587 4.578
73 HA TYR 13 HA TYR 13 -1.615 -1.268 3.211
74 1HB TYR 13 HB2 TYR 13 -3.468 -2.518 2.660
75 2HB TYR 13 HB1 TYR 13 -2.190 -3.705 2.561
76 HD1 TYR 13 HD1 TYR 13 -5.264 -2.768 4.209
77 HD2 TYR 13 HD2 TYR 13 -1.910 -5.391 4.396
78 HE1 TYR 13 HE1 TYR 13 -6.475 -4.217 5.774
79 HE2 TYR 13 HE2 TYR 13 -3.134 -6.852 5.941
80 HH TYR 13 HH TYR 13 -5.314 -6.250 7.715
81 H TRP 14 HN TRP 14 -3.011 0.083 4.135
82 HA TRP 14 HA TRP 14 -3.292 -0.080 7.070
83 1HB TRP 14 HB2 TRP 14 -3.353 2.280 5.169
84 2HB TRP 14 HB1 TRP 14 -3.679 2.376 6.897
85 HD1 TRP 14 HD1 TRP 14 -0.745 0.981 4.735
86 HE1 TRP 14 HE1 TRP 14 1.455 1.708 5.857
87 HE3 TRP 14 HE3 TRP 14 -2.673 3.521 8.732
88 HZ2 TRP 14 HZ2 TRP 14 2.264 3.177 8.129
89 HZ3 TRP 14 HZ3 TRP 14 -1.118 4.567 10.328
90 HH2 TRP 14 HH2 TRP 14 1.299 4.393 10.030
91 H PHE 15 HN PHE 15 -5.344 0.359 7.980
92 HA PHE 15 HA PHE 15 -7.451 -0.637 6.323
93 1HB PHE 15 HB2 PHE 15 -7.291 0.171 9.206
94 2HB PHE 15 HB1 PHE 15 -8.840 -0.223 8.469
95 HD1 PHE 15 HD1 PHE 15 -5.493 -1.570 9.299
96 HD2 PHE 15 HD2 PHE 15 -9.468 -2.457 8.043
97 HE1 PHE 15 HE1 PHE 15 -5.078 -3.964 9.673
98 HE2 PHE 15 HE2 PHE 15 -9.058 -4.848 8.420
99 HZ PHE 15 HZ PHE 15 -6.861 -5.608 9.234
100 H TYR 16 HN TYR 16 -7.910 0.825 4.786
101 HA TYR 16 HA TYR 16 -8.921 2.490 3.701
102 1HB TYR 16 HB2 TYR 16 -10.448 2.686 6.305
103 2HB TYR 16 HB1 TYR 16 -10.952 3.390 4.770
104 HD1 TYR 16 HD1 TYR 16 -11.367 0.607 6.854
105 HD2 TYR 16 HD2 TYR 16 -10.984 1.647 2.738
106 HE1 TYR 16 HE1 TYR 16 -12.443 -1.510 6.220
107 HE2 TYR 16 HE2 TYR 16 -12.064 -0.463 2.101
108 HH TYR 16 HH TYR 16 -13.863 -2.179 3.692
109 H ARG 17 HN ARG 17 -6.833 3.578 3.766
110 HA ARG 17 HA ARG 17 -6.918 6.061 5.345
111 1HB ARG 17 HB2 ARG 17 -4.615 4.441 4.326
112 2HB ARG 17 HB1 ARG 17 -4.413 6.129 4.776
113 1HG ARG 17 HG2 ARG 17 -5.503 4.016 6.635
114 2HG ARG 17 HG1 ARG 17 -3.805 4.485 6.537
115 1HD ARG 17 HD2 ARG 17 -4.315 6.715 7.162
116 2HD ARG 17 HD1 ARG 17 -6.040 6.417 7.118
117 HE ARG 17 HE ARG 17 -5.543 4.729 8.966
118 1HH1 ARG 17 HH11 ARG 17 -3.662 7.674 8.530
119 2HH1 ARG 17 HH12 ARG 17 -3.452 7.915 10.216
120 1HH2 ARG 17 HH21 ARG 17 -5.240 5.078 11.206
121 2HH2 ARG 17 HH22 ARG 17 -4.335 6.454 11.742
122 HA PRO 18 HA PRO 18 -7.768 7.710 1.209
123 1HB PRO 18 HB2 PRO 18 -7.925 10.248 2.736
124 2HB PRO 18 HB1 PRO 18 -9.113 9.483 1.677
125 1HG PRO 18 HG2 PRO 18 -9.432 9.540 4.331
126 2HG PRO 18 HG1 PRO 18 -9.953 8.149 3.361
127 1HD PRO 18 HD2 PRO 18 -7.502 8.467 5.055
128 2HD PRO 18 HD1 PRO 18 -8.593 7.074 4.873
129 H SER 19 HN SER 19 -5.260 8.354 3.460
130 HA SER 19 HA SER 19 -3.706 9.774 1.413
131 1HB SER 19 HB2 SER 19 -3.657 10.310 4.396
132 2HB SER 19 HB1 SER 19 -2.766 11.174 3.140
133 HG SER 19 HG SER 19 -4.665 12.281 3.771
134 H CYS 20 HN CYS 20 -1.944 8.667 0.892
135 HA CYS 20 HA CYS 20 -0.945 6.631 2.747
136 1HB CYS 20 HB2 CYS 20 -1.493 5.838 0.526
137 2HB CYS 20 HB1 CYS 20 -0.394 7.013 -0.188
138 HA PRO 21 HA PRO 21 2.375 9.547 3.608
139 1HB PRO 21 HB2 PRO 21 3.607 7.347 5.131
140 2HB PRO 21 HB1 PRO 21 2.967 8.889 5.686
141 1HG PRO 21 HG2 PRO 21 1.774 6.520 6.200
142 2HG PRO 21 HG1 PRO 21 0.880 8.043 6.047
143 1HD PRO 21 HD2 PRO 21 1.208 5.826 4.063
144 2HD PRO 21 HD1 PRO 21 -0.220 6.803 4.469
145 H THR 22 HN THR 22 3.084 9.415 1.365
146 HA THR 22 HA THR 22 4.725 7.231 0.502
147 HB THR 22 HB THR 22 3.336 8.558 -1.076
148 HG1 THR 22 HG1 THR 22 6.122 8.756 -1.711
149 1HG2 THR 22 HG21 THR 22 3.946 10.766 -1.743
150 2HG2 THR 22 HG22 THR 22 5.358 10.760 -0.696
151 3HG2 THR 22 HG23 THR 22 3.741 10.775 0.003
152 H ASP 23 HN ASP 23 5.262 9.996 2.352
153 HA ASP 23 HA ASP 23 8.038 10.422 1.745
154 1HB ASP 23 HB2 ASP 23 6.683 12.262 2.552
155 2HB ASP 23 HB1 ASP 23 6.210 11.349 3.977
156 H ARG 24 HN ARG 24 6.261 8.096 3.406
157 HA ARG 24 HA ARG 24 8.139 7.468 5.484
158 1HB ARG 24 HB2 ARG 24 5.703 7.032 5.670
159 2HB ARG 24 HB1 ARG 24 5.819 5.911 4.332
160 1HG ARG 24 HG2 ARG 24 5.732 4.623 6.264
161 2HG ARG 24 HG1 ARG 24 7.394 4.536 5.719
162 1HD ARG 24 HD2 ARG 24 8.094 6.087 7.379
163 2HD ARG 24 HD1 ARG 24 6.425 6.475 7.815
164 HE ARG 24 HE ARG 24 6.622 3.783 8.237
165 1HH1 ARG 24 HH11 ARG 24 8.310 6.616 9.440
166 2HH1 ARG 24 HH12 ARG 24 8.747 5.855 10.923
167 1HH2 ARG 24 HH21 ARG 24 7.197 2.800 10.197
168 2HH2 ARG 24 HH22 ARG 24 8.117 3.690 11.365
169 H GLY 25 HN GLY 25 8.017 7.011 2.119
170 1HA GLY 25 HA2 GLY 25 9.904 6.166 1.012
171 2HA GLY 25 HA1 GLY 25 10.164 5.011 2.304
172 H TYR 26 HN TYR 26 7.012 5.639 0.799
173 HA TYR 26 HA TYR 26 6.921 2.825 0.013
174 1HB TYR 26 HB2 TYR 26 4.776 4.959 -0.019
175 2HB TYR 26 HB1 TYR 26 4.530 3.271 -0.458
176 HD1 TYR 26 HD1 TYR 26 5.820 1.721 1.555
177 HD2 TYR 26 HD2 TYR 26 3.727 5.378 1.993
178 HE1 TYR 26 HE1 TYR 26 5.345 1.149 3.894
179 HE2 TYR 26 HE2 TYR 26 3.253 4.837 4.341
180 HH TYR 26 HH TYR 26 4.810 2.688 6.092
181 H THR 27 HN THR 27 6.834 2.127 -2.045
182 HA THR 27 HA THR 27 7.749 3.991 -4.068
183 HB THR 27 HB THR 27 7.463 0.968 -4.260
184 HG1 THR 27 HG1 THR 27 9.719 2.548 -3.448
185 1HG2 THR 27 HG21 THR 27 9.218 1.211 -5.980
186 2HG2 THR 27 HG22 THR 27 9.099 2.964 -5.837
187 3HG2 THR 27 HG23 THR 27 7.723 2.031 -6.428
188 H GLY 28 HN GLY 28 4.920 2.103 -3.295
189 1HA GLY 28 HA2 GLY 28 3.434 3.516 -5.349
190 2HA GLY 28 HA1 GLY 28 3.525 1.769 -5.549
191 H SER 29 HN SER 29 1.119 3.075 -5.213
192 HA SER 29 HA SER 29 0.301 1.977 -2.611
193 1HB SER 29 HB2 SER 29 0.296 4.456 -2.533
194 2HB SER 29 HB1 SER 29 -0.854 4.472 -3.868
195 HG SER 29 HG SER 29 -1.842 4.616 -1.774
196 H CYS 30 HN CYS 30 -1.170 0.432 -2.827
197 HA CYS 30 HA CYS 30 -2.774 0.295 -5.322
198 1HB CYS 30 HB2 CYS 30 -1.978 -2.020 -3.541
199 2HB CYS 30 HB1 CYS 30 -2.729 -2.089 -5.126
200 H ARG 31 HN ARG 31 -4.954 -0.553 -5.045
201 HA ARG 31 HA ARG 31 -6.090 0.244 -2.467
202 1HB ARG 31 HB2 ARG 31 -7.177 0.927 -4.606
203 2HB ARG 31 HB1 ARG 31 -7.543 -0.760 -4.936
204 1HG ARG 31 HG2 ARG 31 -8.447 0.537 -2.371
205 2HG ARG 31 HG1 ARG 31 -9.343 0.775 -3.869
206 1HD ARG 31 HD2 ARG 31 -9.925 -1.475 -4.031
207 2HD ARG 31 HD1 ARG 31 -8.670 -2.000 -2.953
208 HE ARG 31 HE ARG 31 -9.944 -1.461 -1.119
209 1HH1 ARG 31 HH11 ARG 31 -11.574 -0.442 -4.060
210 2HH1 ARG 31 HH12 ARG 31 -13.070 -0.166 -3.258
211 1HH2 ARG 31 HH21 ARG 31 -11.947 -1.078 -0.087
212 2HH2 ARG 31 HH22 ARG 31 -13.293 -0.513 -1.021
213 H TYR 32 HN TYR 32 -6.620 -1.179 -0.926
214 HA TYR 32 HA TYR 32 -6.631 -4.050 -1.649
215 1HB TYR 32 HB2 TYR 32 -4.760 -3.132 -0.111
216 2HB TYR 32 HB1 TYR 32 -6.015 -2.965 1.109
217 HD1 TYR 32 HD1 TYR 32 -3.994 -5.308 -0.841
218 HD2 TYR 32 HD2 TYR 32 -7.020 -4.958 2.111
219 HE1 TYR 32 HE1 TYR 32 -3.715 -7.679 -0.271
220 HE2 TYR 32 HE2 TYR 32 -6.753 -7.329 2.665
221 HH TYR 32 HH TYR 32 -5.655 -9.503 0.988
222 H PHE 33 HN PHE 33 -8.248 -5.349 -0.639
223 HA PHE 33 HA PHE 33 -10.766 -4.223 -0.563
224 1HB PHE 33 HB2 PHE 33 -10.224 -6.661 -0.745
225 2HB PHE 33 HB1 PHE 33 -9.940 -6.695 0.983
226 HD1 PHE 33 HD1 PHE 33 -11.749 -6.953 2.487
227 HD2 PHE 33 HD2 PHE 33 -12.513 -6.021 -1.600
228 HE1 PHE 33 HE1 PHE 33 -14.145 -7.353 2.848
229 HE2 PHE 33 HE2 PHE 33 -14.911 -6.429 -1.242
230 HZ PHE 33 HZ PHE 33 -15.730 -7.096 0.981
231 H LEU 34 HN LEU 34 -8.551 -4.701 2.145
232 HA LEU 34 HA LEU 34 -10.487 -3.618 4.012
233 1HB LEU 34 HB2 LEU 34 -7.783 -4.845 4.418
234 2HB LEU 34 HB1 LEU 34 -8.749 -4.212 5.735
235 HG LEU 34 HG LEU 34 -9.185 -6.472 5.853
236 1HD1 LEU 34 HD11 LEU 34 -11.443 -6.805 5.180
237 2HD1 LEU 34 HD12 LEU 34 -11.334 -5.557 3.948
238 3HD1 LEU 34 HD13 LEU 34 -11.259 -5.120 5.654
239 1HD2 LEU 34 HD21 LEU 34 -9.193 -6.564 2.842
240 2HD2 LEU 34 HD22 LEU 34 -9.610 -7.914 3.875
241 3HD2 LEU 34 HD23 LEU 34 -8.001 -7.224 3.941
242 H GLY 35 HN GLY 35 -8.295 -2.223 1.978
243 1HA GLY 35 HA2 GLY 35 -8.678 0.275 2.849
244 2HA GLY 35 HA1 GLY 35 -7.347 -0.264 3.841
245 H THR 36 HN THR 36 -5.710 0.936 3.154
246 HA THR 36 HA THR 36 -5.229 1.090 0.250
247 HB THR 36 HB THR 36 -4.155 2.948 2.398
248 HG1 THR 36 HG1 THR 36 -6.514 3.241 0.794
249 1HG2 THR 36 HG21 THR 36 -2.928 3.005 0.298
250 2HG2 THR 36 HG22 THR 36 -3.878 4.476 0.493
251 3HG2 THR 36 HG23 THR 36 -4.433 3.210 -0.600
252 H CYS 37 HN CYS 37 -3.598 -0.097 -0.474
253 HA CYS 37 HA CYS 37 -1.640 -1.186 1.359
254 1HB CYS 37 HB2 CYS 37 -2.529 -2.709 -0.238
255 2HB CYS 37 HB1 CYS 37 -2.162 -1.617 -1.561
256 H CYS 38 HN CYS 38 -0.091 0.217 1.954
257 HA CYS 38 HA CYS 38 1.162 1.911 -0.109
258 1HB CYS 38 HB2 CYS 38 1.329 1.937 2.908
259 2HB CYS 38 HB1 CYS 38 2.279 2.945 1.854
260 H THR 39 HN THR 39 2.723 0.868 -1.168
261 HA THR 39 HA THR 39 4.398 -0.972 0.357
262 HB THR 39 HB THR 39 2.968 -2.402 -0.734
263 HG1 THR 39 HG1 THR 39 4.297 -3.470 -2.027
264 1HG2 THR 39 HG21 THR 39 2.573 -2.131 -3.244
265 2HG2 THR 39 HG22 THR 39 3.115 -0.476 -3.035
266 3HG2 THR 39 HG23 THR 39 1.702 -1.059 -2.157
267 HA PRO 40 HA PRO 40 7.786 0.538 -2.129
268 1HB PRO 40 HB2 PRO 40 9.701 0.013 -0.231
269 2HB PRO 40 HB1 PRO 40 8.733 1.461 -0.302
270 1HG PRO 40 HG2 PRO 40 8.617 -0.617 1.678
271 2HG PRO 40 HG1 PRO 40 7.764 0.929 1.647
272 1HD PRO 40 HD2 PRO 40 6.839 -1.741 0.820
273 2HD PRO 40 HD1 PRO 40 5.908 -0.336 1.340
274 H ALA 41 HN ALA 41 9.146 -1.845 -0.029
275 HA ALA 41 HA ALA 41 9.031 -4.122 -1.650
276 1HB ALA 41 HB1 ALA 41 11.567 -2.490 -1.857
277 2HB ALA 41 HB2 ALA 41 10.425 -2.797 -3.164
278 3HB ALA 41 HB3 ALA 41 11.343 -4.131 -2.469
279 H ASP 42 HN ASP 42 8.467 -4.548 0.599
280 HA ASP 42 HA ASP 42 10.478 -4.440 2.641
281 1HB ASP 42 HB2 ASP 42 8.034 -4.267 3.072
282 2HB ASP 42 HB1 ASP 42 7.846 -5.947 2.588
Start of MODEL 22
1 1H GLY 1 HT1 GLY 1 0.512 -8.836 11.304
2 2H GLY 1 HT2 GLY 1 0.326 -7.153 11.379
3 3H GLY 1 HT3 GLY 1 1.679 -7.887 12.076
4 1HA GLY 1 HA1 GLY 1 2.289 -6.844 10.003
5 2HA GLY 1 HA2 GLY 1 2.475 -8.592 9.925
6 H THR 2 HN THR 2 0.491 -5.870 8.968
7 HA THR 2 HA THR 2 -1.223 -7.520 7.295
8 HB THR 2 HB THR 2 -2.139 -5.192 6.642
9 HG1 THR 2 HG1 THR 2 -1.423 -3.469 7.756
10 1HG2 THR 2 HG21 THR 2 -2.217 -5.998 9.539
11 2HG2 THR 2 HG22 THR 2 -3.254 -6.638 8.263
12 3HG2 THR 2 HG23 THR 2 -3.365 -4.939 8.720
13 H ALA 3 HN ALA 3 0.566 -8.363 6.034
14 HA ALA 3 HA ALA 3 2.098 -6.598 4.377
15 1HB ALA 3 HB1 ALA 3 3.057 -8.628 3.448
16 2HB ALA 3 HB2 ALA 3 1.821 -9.599 4.253
17 3HB ALA 3 HB3 ALA 3 3.002 -8.705 5.209
18 H CYS 4 HN CYS 4 2.075 -6.457 2.125
19 HA CYS 4 HA CYS 4 -0.152 -7.606 0.630
20 1HB CYS 4 HB2 CYS 4 -1.071 -5.514 1.526
21 2HB CYS 4 HB1 CYS 4 0.265 -4.605 0.829
22 H SER 5 HN SER 5 0.237 -7.643 -1.612
23 HA SER 5 HA SER 5 2.944 -6.755 -2.407
24 1HB SER 5 HB2 SER 5 1.577 -9.287 -3.320
25 2HB SER 5 HB1 SER 5 3.210 -8.745 -3.716
26 HG SER 5 HG SER 5 3.330 -10.232 -2.054
27 H CYS 6 HN CYS 6 2.955 -5.430 -4.019
28 HA CYS 6 HA CYS 6 0.787 -5.472 -6.032
29 1HB CYS 6 HB2 CYS 6 2.550 -3.175 -5.160
30 2HB CYS 6 HB1 CYS 6 1.420 -3.119 -6.502
31 H GLY 7 HN GLY 7 2.124 -7.306 -6.841
32 1HA GLY 7 HA2 GLY 7 3.582 -8.142 -8.381
33 2HA GLY 7 HA1 GLY 7 3.840 -6.502 -8.959
34 H ASN 8 HN ASN 8 5.801 -5.662 -8.630
35 HA ASN 8 HA ASN 8 7.749 -7.149 -7.074
36 1HB ASN 8 HB2 ASN 8 8.283 -6.112 -9.278
37 2HB ASN 8 HB1 ASN 8 8.064 -4.521 -8.556
38 1HD2 ASN 8 HD21 ASN 8 10.211 -3.953 -9.014
39 2HD2 ASN 8 HD22 ASN 8 11.526 -4.613 -8.111
40 H SER 9 HN SER 9 5.676 -4.403 -6.647
41 HA SER 9 HA SER 9 7.229 -3.257 -4.495
42 1HB SER 9 HB2 SER 9 4.401 -2.604 -5.336
43 2HB SER 9 HB1 SER 9 5.491 -1.606 -4.390
44 HG SER 9 HG SER 9 6.732 -1.268 -6.190
45 H LYS 10 HN LYS 10 7.310 -4.482 -2.656
46 HA LYS 10 HA LYS 10 4.746 -5.571 -1.642
47 1HB LYS 10 HB2 LYS 10 7.559 -6.613 -1.301
48 2HB LYS 10 HB1 LYS 10 6.166 -7.223 -0.410
49 1HG LYS 10 HG2 LYS 10 5.108 -7.870 -2.526
50 2HG LYS 10 HG1 LYS 10 6.530 -7.294 -3.402
51 1HD LYS 10 HD2 LYS 10 7.925 -8.934 -2.301
52 2HD LYS 10 HD1 LYS 10 6.569 -9.466 -1.302
53 1HE LYS 10 HE2 LYS 10 6.951 -11.006 -3.145
54 2HE LYS 10 HE1 LYS 10 5.383 -10.218 -3.301
55 1HZ LYS 10 HZ1 LYS 10 6.243 -8.792 -4.989
56 2HZ LYS 10 HZ2 LYS 10 6.668 -10.374 -5.396
57 3HZ LYS 10 HZ3 LYS 10 7.830 -9.334 -4.745
58 H GLY 11 HN GLY 11 4.108 -5.055 0.372
59 1HA GLY 11 HA2 GLY 11 5.846 -4.024 2.389
60 2HA GLY 11 HA1 GLY 11 5.008 -2.734 1.562
61 H ILE 12 HN ILE 12 3.607 -2.028 3.077
62 HA ILE 12 HA ILE 12 1.903 -4.055 4.399
63 HB ILE 12 HB ILE 12 2.881 -1.398 5.472
64 1HG1 ILE 12 HG12 ILE 12 4.677 -3.062 5.380
65 2HG1 ILE 12 HG11 ILE 12 4.212 -2.738 7.044
66 1HG2 ILE 12 HG21 ILE 12 1.912 -2.223 7.623
67 2HG2 ILE 12 HG22 ILE 12 1.147 -3.524 6.720
68 3HG2 ILE 12 HG23 ILE 12 0.720 -1.849 6.386
69 1HD1 ILE 12 HD11 ILE 12 2.876 -4.820 7.032
70 2HD1 ILE 12 HD12 ILE 12 4.592 -5.082 6.748
71 3HD1 ILE 12 HD13 ILE 12 3.461 -5.147 5.402
72 H TYR 13 HN TYR 13 -0.283 -3.803 4.312
73 HA TYR 13 HA TYR 13 -1.234 -1.389 2.940
74 1HB TYR 13 HB2 TYR 13 -3.091 -2.521 2.202
75 2HB TYR 13 HB1 TYR 13 -1.860 -3.757 2.179
76 HD1 TYR 13 HD1 TYR 13 -1.894 -5.617 3.791
77 HD2 TYR 13 HD2 TYR 13 -4.968 -2.664 3.718
78 HE1 TYR 13 HE1 TYR 13 -3.344 -7.094 5.115
79 HE2 TYR 13 HE2 TYR 13 -6.384 -4.125 5.063
80 HH TYR 13 HH TYR 13 -5.695 -6.316 6.832
81 H TRP 14 HN TRP 14 -2.542 0.026 3.833
82 HA TRP 14 HA TRP 14 -2.987 -0.172 6.735
83 1HB TRP 14 HB2 TRP 14 -3.132 2.216 4.859
84 2HB TRP 14 HB1 TRP 14 -3.327 2.265 6.609
85 HD1 TRP 14 HD1 TRP 14 -0.500 0.538 4.553
86 HE1 TRP 14 HE1 TRP 14 1.748 1.454 5.354
87 HE3 TRP 14 HE3 TRP 14 -2.188 4.059 7.873
88 HZ2 TRP 14 HZ2 TRP 14 2.699 3.423 7.126
89 HZ3 TRP 14 HZ3 TRP 14 -0.528 5.427 9.067
90 HH2 TRP 14 HH2 TRP 14 1.864 5.112 8.701
91 H PHE 15 HN PHE 15 -5.107 0.579 7.524
92 HA PHE 15 HA PHE 15 -7.238 -0.403 5.811
93 1HB PHE 15 HB2 PHE 15 -7.355 0.689 8.628
94 2HB PHE 15 HB1 PHE 15 -8.678 -0.097 7.778
95 HD1 PHE 15 HD1 PHE 15 -8.098 -2.459 6.785
96 HD2 PHE 15 HD2 PHE 15 -6.089 -0.634 10.056
97 HE1 PHE 15 HE1 PHE 15 -7.361 -4.676 7.551
98 HE2 PHE 15 HE2 PHE 15 -5.342 -2.845 10.828
99 HZ PHE 15 HZ PHE 15 -5.976 -4.868 9.577
100 H TYR 16 HN TYR 16 -9.327 1.363 6.749
101 HA TYR 16 HA TYR 16 -9.221 3.271 4.736
102 1HB TYR 16 HB2 TYR 16 -11.018 2.786 7.073
103 2HB TYR 16 HB1 TYR 16 -11.181 4.309 6.202
104 HD1 TYR 16 HD1 TYR 16 -12.019 4.382 3.952
105 HD2 TYR 16 HD2 TYR 16 -11.498 0.641 5.927
106 HE1 TYR 16 HE1 TYR 16 -13.329 3.279 2.196
107 HE2 TYR 16 HE2 TYR 16 -12.813 -0.467 4.170
108 HH TYR 16 HH TYR 16 -14.809 0.729 2.323
109 H ARG 17 HN ARG 17 -7.354 4.413 4.845
110 HA ARG 17 HA ARG 17 -7.529 6.826 6.452
111 1HB ARG 17 HB2 ARG 17 -5.052 5.103 6.395
112 2HB ARG 17 HB1 ARG 17 -5.057 6.790 6.903
113 1HG ARG 17 HG2 ARG 17 -6.638 6.212 8.703
114 2HG ARG 17 HG1 ARG 17 -6.543 4.520 8.215
115 1HD ARG 17 HD2 ARG 17 -5.074 4.872 10.074
116 2HD ARG 17 HD1 ARG 17 -4.126 4.561 8.643
117 HE ARG 17 HE ARG 17 -3.496 6.838 8.533
118 1HH1 ARG 17 HH11 ARG 17 -5.335 6.049 11.439
119 2HH1 ARG 17 HH12 ARG 17 -4.757 7.415 12.304
120 1HH2 ARG 17 HH21 ARG 17 -2.768 8.661 9.720
121 2HH2 ARG 17 HH22 ARG 17 -3.316 8.900 11.346
122 HA PRO 18 HA PRO 18 -7.035 7.532 1.991
123 1HB PRO 18 HB2 PRO 18 -7.587 10.238 2.100
124 2HB PRO 18 HB1 PRO 18 -8.798 8.957 2.026
125 1HG PRO 18 HG2 PRO 18 -7.773 10.443 4.408
126 2HG PRO 18 HG1 PRO 18 -9.439 10.000 3.992
127 1HD PRO 18 HD2 PRO 18 -8.035 8.628 5.795
128 2HD PRO 18 HD1 PRO 18 -9.165 7.809 4.695
129 H SER 19 HN SER 19 -5.196 8.927 4.584
130 HA SER 19 HA SER 19 -3.277 10.043 2.648
131 1HB SER 19 HB2 SER 19 -3.696 10.784 5.549
132 2HB SER 19 HB1 SER 19 -2.568 11.540 4.418
133 HG SER 19 HG SER 19 -4.429 12.773 4.476
134 H CYS 20 HN CYS 20 -2.177 8.115 2.287
135 HA CYS 20 HA CYS 20 -0.826 6.852 4.530
136 1HB CYS 20 HB2 CYS 20 -1.611 5.373 2.794
137 2HB CYS 20 HB1 CYS 20 -0.724 6.274 1.571
138 HA PRO 21 HA PRO 21 2.660 9.616 3.962
139 1HB PRO 21 HB2 PRO 21 4.250 7.763 5.577
140 2HB PRO 21 HB1 PRO 21 3.664 9.367 5.972
141 1HG PRO 21 HG2 PRO 21 2.727 7.109 7.145
142 2HG PRO 21 HG1 PRO 21 1.752 8.575 6.934
143 1HD PRO 21 HD2 PRO 21 1.769 6.055 5.316
144 2HD PRO 21 HD1 PRO 21 0.404 7.043 5.879
145 H THR 22 HN THR 22 2.705 8.896 1.679
146 HA THR 22 HA THR 22 4.174 6.577 0.944
147 HB THR 22 HB THR 22 3.905 7.643 -1.422
148 HG1 THR 22 HG1 THR 22 2.562 9.367 -1.513
149 1HG2 THR 22 HG21 THR 22 1.586 6.929 -1.524
150 2HG2 THR 22 HG22 THR 22 1.493 6.915 0.237
151 3HG2 THR 22 HG23 THR 22 2.555 5.781 -0.601
152 H ASP 23 HN ASP 23 5.555 9.008 2.323
153 HA ASP 23 HA ASP 23 7.773 9.311 0.429
154 1HB ASP 23 HB2 ASP 23 7.164 10.789 3.004
155 2HB ASP 23 HB1 ASP 23 8.546 11.089 1.951
156 H ARG 24 HN ARG 24 6.995 6.911 2.112
157 HA ARG 24 HA ARG 24 9.439 6.676 3.734
158 1HB ARG 24 HB2 ARG 24 6.816 5.205 3.938
159 2HB ARG 24 HB1 ARG 24 8.221 4.927 4.958
160 1HG ARG 24 HG2 ARG 24 8.050 7.138 5.884
161 2HG ARG 24 HG1 ARG 24 6.725 7.536 4.789
162 1HD ARG 24 HD2 ARG 24 5.858 6.988 6.978
163 2HD ARG 24 HD1 ARG 24 5.355 5.799 5.800
164 HE ARG 24 HE ARG 24 6.919 4.242 6.677
165 1HH1 ARG 24 HH11 ARG 24 6.613 7.173 8.597
166 2HH1 ARG 24 HH12 ARG 24 7.181 6.417 10.030
167 1HH2 ARG 24 HH21 ARG 24 7.680 3.272 8.585
168 2HH2 ARG 24 HH22 ARG 24 7.797 4.210 10.037
169 H GLY 25 HN GLY 25 9.480 6.315 0.901
170 1HA GLY 25 HA2 GLY 25 10.717 4.851 -0.372
171 2HA GLY 25 HA1 GLY 25 10.559 3.620 0.871
172 H TYR 26 HN TYR 26 7.510 4.379 0.729
173 HA TYR 26 HA TYR 26 6.612 2.156 -0.545
174 1HB TYR 26 HB2 TYR 26 5.146 4.781 -0.269
175 2HB TYR 26 HB1 TYR 26 4.392 3.230 -0.626
176 HD1 TYR 26 HD1 TYR 26 4.259 5.336 1.825
177 HD2 TYR 26 HD2 TYR 26 5.786 1.463 1.270
178 HE1 TYR 26 HE1 TYR 26 3.986 4.923 4.210
179 HE2 TYR 26 HE2 TYR 26 5.545 0.996 3.668
180 HH TYR 26 HH TYR 26 5.428 2.828 5.882
181 H THR 27 HN THR 27 6.631 1.522 -2.584
182 HA THR 27 HA THR 27 7.107 3.469 -4.694
183 HB THR 27 HB THR 27 7.147 0.437 -4.895
184 HG1 THR 27 HG1 THR 27 9.303 2.234 -4.300
185 1HG2 THR 27 HG21 THR 27 8.629 0.881 -6.808
186 2HG2 THR 27 HG22 THR 27 8.390 2.614 -6.589
187 3HG2 THR 27 HG23 THR 27 7.031 1.586 -7.045
188 H GLY 28 HN GLY 28 4.694 1.164 -3.588
189 1HA GLY 28 HA2 GLY 28 2.914 2.104 -5.763
190 2HA GLY 28 HA1 GLY 28 2.972 0.432 -5.235
191 H SER 29 HN SER 29 0.813 2.473 -5.262
192 HA SER 29 HA SER 29 -0.056 2.042 -2.482
193 1HB SER 29 HB2 SER 29 0.548 4.463 -2.982
194 2HB SER 29 HB1 SER 29 -0.842 4.483 -4.062
195 HG SER 29 HG SER 29 -0.765 4.150 -1.260
196 H CYS 30 HN CYS 30 -1.147 0.234 -3.081
197 HA CYS 30 HA CYS 30 -3.098 0.386 -5.286
198 1HB CYS 30 HB2 CYS 30 -2.275 -2.075 -3.746
199 2HB CYS 30 HB1 CYS 30 -2.983 -1.967 -5.347
200 H ARG 31 HN ARG 31 -5.232 -0.614 -4.963
201 HA ARG 31 HA ARG 31 -6.299 -0.002 -2.312
202 1HB ARG 31 HB2 ARG 31 -7.643 0.750 -4.157
203 2HB ARG 31 HB1 ARG 31 -7.632 -0.848 -4.887
204 1HG ARG 31 HG2 ARG 31 -9.766 -0.414 -3.846
205 2HG ARG 31 HG1 ARG 31 -8.954 -1.721 -2.996
206 1HD ARG 31 HD2 ARG 31 -8.151 0.085 -1.368
207 2HD ARG 31 HD1 ARG 31 -9.292 1.135 -2.174
208 HE ARG 31 HE ARG 31 -10.300 -1.391 -1.096
209 1HH1 ARG 31 HH11 ARG 31 -9.971 2.088 -0.663
210 2HH1 ARG 31 HH12 ARG 31 -11.266 2.170 0.464
211 1HH2 ARG 31 HH21 ARG 31 -11.992 -1.256 0.393
212 2HH2 ARG 31 HH22 ARG 31 -12.442 0.276 1.027
213 H TYR 32 HN TYR 32 -6.774 -1.502 -0.821
214 HA TYR 32 HA TYR 32 -6.746 -4.346 -1.624
215 1HB TYR 32 HB2 TYR 32 -4.901 -3.377 -0.007
216 2HB TYR 32 HB1 TYR 32 -6.146 -3.488 1.196
217 HD1 TYR 32 HD1 TYR 32 -6.894 -5.644 2.026
218 HD2 TYR 32 HD2 TYR 32 -4.079 -5.440 -1.141
219 HE1 TYR 32 HE1 TYR 32 -6.399 -8.029 2.312
220 HE2 TYR 32 HE2 TYR 32 -3.529 -7.798 -0.837
221 HH TYR 32 HH TYR 32 -5.230 -9.917 0.360
222 H PHE 33 HN PHE 33 -8.200 -5.677 -0.304
223 HA PHE 33 HA PHE 33 -10.777 -4.712 -0.373
224 1HB PHE 33 HB2 PHE 33 -9.770 -6.944 1.395
225 2HB PHE 33 HB1 PHE 33 -11.434 -6.701 0.882
226 HD1 PHE 33 HD1 PHE 33 -8.288 -8.185 0.089
227 HD2 PHE 33 HD2 PHE 33 -11.925 -6.772 -1.625
228 HE1 PHE 33 HE1 PHE 33 -7.851 -9.512 -1.931
229 HE2 PHE 33 HE2 PHE 33 -11.491 -8.103 -3.644
230 HZ PHE 33 HZ PHE 33 -9.453 -9.474 -3.802
231 H LEU 34 HN LEU 34 -8.487 -4.435 2.289
232 HA LEU 34 HA LEU 34 -10.625 -3.341 3.993
233 1HB LEU 34 HB2 LEU 34 -7.920 -4.362 4.774
234 2HB LEU 34 HB1 LEU 34 -9.125 -3.764 5.862
235 HG LEU 34 HG LEU 34 -9.267 -6.057 6.103
236 1HD1 LEU 34 HD11 LEU 34 -11.452 -4.950 5.705
237 2HD1 LEU 34 HD12 LEU 34 -11.429 -6.662 5.294
238 3HD1 LEU 34 HD13 LEU 34 -11.359 -5.454 4.016
239 1HD2 LEU 34 HD21 LEU 34 -9.240 -6.389 3.117
240 2HD2 LEU 34 HD22 LEU 34 -9.269 -7.664 4.315
241 3HD2 LEU 34 HD23 LEU 34 -7.852 -6.629 4.162
242 H GLY 35 HN GLY 35 -8.212 -2.200 1.973
243 1HA GLY 35 HA2 GLY 35 -8.535 0.426 2.680
244 2HA GLY 35 HA1 GLY 35 -7.209 -0.127 3.668
245 H THR 36 HN THR 36 -5.398 0.691 2.813
246 HA THR 36 HA THR 36 -5.039 0.520 -0.111
247 HB THR 36 HB THR 36 -4.209 2.787 1.722
248 HG1 THR 36 HG1 THR 36 -5.868 3.884 0.801
249 1HG2 THR 36 HG21 THR 36 -2.550 2.625 0.036
250 2HG2 THR 36 HG22 THR 36 -3.661 3.887 -0.485
251 3HG2 THR 36 HG23 THR 36 -3.746 2.289 -1.219
252 H CYS 37 HN CYS 37 -3.339 -0.578 -0.713
253 HA CYS 37 HA CYS 37 -1.378 -1.514 1.140
254 1HB CYS 37 HB2 CYS 37 -1.768 -1.858 -1.798
255 2HB CYS 37 HB1 CYS 37 -0.440 -2.593 -0.923
256 H CYS 38 HN CYS 38 0.155 -0.156 1.816
257 HA CYS 38 HA CYS 38 1.434 1.640 -0.144
258 1HB CYS 38 HB2 CYS 38 1.786 1.511 2.863
259 2HB CYS 38 HB1 CYS 38 2.415 2.737 1.767
260 H THR 39 HN THR 39 2.723 0.306 -1.291
261 HA THR 39 HA THR 39 4.403 -1.601 0.167
262 HB THR 39 HB THR 39 4.278 -2.936 -1.928
263 HG1 THR 39 HG1 THR 39 2.152 -1.171 -2.647
264 1HG2 THR 39 HG21 THR 39 2.807 -3.352 0.028
265 2HG2 THR 39 HG22 THR 39 2.081 -3.805 -1.511
266 3HG2 THR 39 HG23 THR 39 1.611 -2.304 -0.719
267 HA PRO 40 HA PRO 40 7.840 0.217 -2.139
268 1HB PRO 40 HB2 PRO 40 9.645 0.048 -0.085
269 2HB PRO 40 HB1 PRO 40 8.518 1.340 -0.296
270 1HG PRO 40 HG2 PRO 40 8.509 -0.654 1.763
271 2HG PRO 40 HG1 PRO 40 7.575 0.823 1.653
272 1HD PRO 40 HD2 PRO 40 6.831 -1.916 0.960
273 2HD PRO 40 HD1 PRO 40 5.779 -0.532 1.265
274 H ALA 41 HN ALA 41 9.298 -1.830 0.207
275 HA ALA 41 HA ALA 41 9.255 -4.293 -1.116
276 1HB ALA 41 HB1 ALA 41 11.845 -2.732 -1.320
277 2HB ALA 41 HB2 ALA 41 10.804 -3.189 -2.667
278 3HB ALA 41 HB3 ALA 41 11.633 -4.435 -1.736
279 H ASP 42 HN ASP 42 8.768 -3.051 1.415
280 HA ASP 42 HA ASP 42 10.573 -4.509 3.195
281 1HB ASP 42 HB2 ASP 42 11.614 -2.303 2.900
282 2HB ASP 42 HB1 ASP 42 10.093 -1.511 3.291
Start of MODEL 23
1 1H GLY 1 HT1 GLY 1 1.786 -9.408 10.920
2 2H GLY 1 HT2 GLY 1 2.976 -8.390 11.558
3 3H GLY 1 HT3 GLY 1 3.063 -8.876 9.941
4 1HA GLY 1 HA1 GLY 1 0.966 -7.148 11.135
5 2HA GLY 1 HA2 GLY 1 2.292 -6.595 10.120
6 H THR 2 HN THR 2 -0.006 -5.843 9.174
7 HA THR 2 HA THR 2 -1.201 -7.856 7.454
8 HB THR 2 HB THR 2 -2.496 -5.752 6.613
9 HG1 THR 2 HG1 THR 2 -2.290 -3.935 7.811
10 1HG2 THR 2 HG21 THR 2 -3.466 -7.430 8.088
11 2HG2 THR 2 HG22 THR 2 -3.980 -5.804 8.535
12 3HG2 THR 2 HG23 THR 2 -2.742 -6.627 9.483
13 H ALA 3 HN ALA 3 0.984 -8.241 6.483
14 HA ALA 3 HA ALA 3 2.173 -6.353 4.755
15 1HB ALA 3 HB1 ALA 3 3.368 -8.291 5.639
16 2HB ALA 3 HB2 ALA 3 3.448 -8.232 3.879
17 3HB ALA 3 HB3 ALA 3 2.352 -9.363 4.677
18 H CYS 4 HN CYS 4 2.114 -6.161 2.513
19 HA CYS 4 HA CYS 4 0.008 -7.612 1.065
20 1HB CYS 4 HB2 CYS 4 -1.048 -5.574 1.844
21 2HB CYS 4 HB1 CYS 4 0.247 -4.592 1.171
22 H SER 5 HN SER 5 0.269 -7.575 -1.219
23 HA SER 5 HA SER 5 2.931 -6.681 -2.123
24 1HB SER 5 HB2 SER 5 1.617 -9.304 -2.866
25 2HB SER 5 HB1 SER 5 3.224 -8.737 -3.335
26 HG SER 5 HG SER 5 3.450 -10.110 -1.599
27 H CYS 6 HN CYS 6 2.977 -5.676 -3.991
28 HA CYS 6 HA CYS 6 0.652 -5.827 -5.809
29 1HB CYS 6 HB2 CYS 6 2.417 -3.415 -5.316
30 2HB CYS 6 HB1 CYS 6 1.112 -3.520 -6.484
31 H GLY 7 HN GLY 7 1.871 -7.656 -6.647
32 1HA GLY 7 HA2 GLY 7 3.261 -8.613 -8.179
33 2HA GLY 7 HA1 GLY 7 3.580 -7.010 -8.828
34 H ASN 8 HN ASN 8 5.601 -6.292 -8.605
35 HA ASN 8 HA ASN 8 7.479 -7.751 -6.938
36 1HB ASN 8 HB2 ASN 8 7.725 -5.532 -8.957
37 2HB ASN 8 HB1 ASN 8 9.072 -5.906 -7.884
38 1HD2 ASN 8 HD21 ASN 8 10.368 -6.557 -9.607
39 2HD2 ASN 8 HD22 ASN 8 10.097 -8.058 -10.419
40 H SER 9 HN SER 9 5.538 -4.908 -6.662
41 HA SER 9 HA SER 9 7.224 -3.609 -4.724
42 1HB SER 9 HB2 SER 9 4.308 -3.113 -5.358
43 2HB SER 9 HB1 SER 9 5.385 -2.033 -4.483
44 HG SER 9 HG SER 9 5.059 -1.572 -6.778
45 H LYS 10 HN LYS 10 7.364 -4.159 -2.630
46 HA LYS 10 HA LYS 10 5.183 -5.764 -1.430
47 1HB LYS 10 HB2 LYS 10 8.122 -5.748 -0.700
48 2HB LYS 10 HB1 LYS 10 6.873 -6.736 0.048
49 1HG LYS 10 HG2 LYS 10 7.841 -6.908 -2.792
50 2HG LYS 10 HG1 LYS 10 8.193 -8.042 -1.483
51 1HD LYS 10 HD2 LYS 10 5.774 -8.524 -1.304
52 2HD LYS 10 HD1 LYS 10 5.484 -7.459 -2.681
53 1HE LYS 10 HE2 LYS 10 7.091 -10.000 -2.672
54 2HE LYS 10 HE1 LYS 10 5.522 -9.735 -3.432
55 1HZ LYS 10 HZ1 LYS 10 8.110 -8.497 -4.210
56 2HZ LYS 10 HZ2 LYS 10 6.610 -8.052 -4.853
57 3HZ LYS 10 HZ3 LYS 10 7.197 -9.611 -5.089
58 H GLY 11 HN GLY 11 4.399 -5.190 0.570
59 1HA GLY 11 HA2 GLY 11 5.686 -3.316 2.270
60 2HA GLY 11 HA1 GLY 11 4.491 -2.501 1.292
61 H ILE 12 HN ILE 12 3.180 -1.967 3.006
62 HA ILE 12 HA ILE 12 1.802 -4.236 4.339
63 HB ILE 12 HB ILE 12 2.428 -1.538 5.581
64 1HG1 ILE 12 HG12 ILE 12 4.511 -2.789 5.273
65 2HG1 ILE 12 HG11 ILE 12 4.081 -2.707 6.974
66 1HG2 ILE 12 HG21 ILE 12 1.264 -4.071 6.735
67 2HG2 ILE 12 HG22 ILE 12 0.440 -2.532 6.507
68 3HG2 ILE 12 HG23 ILE 12 1.743 -2.663 7.680
69 1HD1 ILE 12 HD11 ILE 12 3.197 -5.007 6.825
70 2HD1 ILE 12 HD12 ILE 12 4.909 -4.888 6.444
71 3HD1 ILE 12 HD13 ILE 12 3.739 -5.070 5.159
72 H TYR 13 HN TYR 13 -0.459 -4.034 4.524
73 HA TYR 13 HA TYR 13 -1.540 -1.661 3.195
74 1HB TYR 13 HB2 TYR 13 -3.166 -2.816 2.225
75 2HB TYR 13 HB1 TYR 13 -2.041 -4.126 2.415
76 HD1 TYR 13 HD1 TYR 13 -2.471 -5.934 4.016
77 HD2 TYR 13 HD2 TYR 13 -5.243 -2.735 3.480
78 HE1 TYR 13 HE1 TYR 13 -4.224 -7.269 5.101
79 HE2 TYR 13 HE2 TYR 13 -6.979 -4.061 4.579
80 HH TYR 13 HH TYR 13 -7.142 -7.034 4.826
81 H TRP 14 HN TRP 14 -2.683 -0.269 4.217
82 HA TRP 14 HA TRP 14 -3.286 -0.734 7.062
83 1HB TRP 14 HB2 TRP 14 -3.076 1.793 5.403
84 2HB TRP 14 HB1 TRP 14 -3.494 1.753 7.113
85 HD1 TRP 14 HD1 TRP 14 -0.516 0.465 4.931
86 HE1 TRP 14 HE1 TRP 14 1.657 0.929 6.244
87 HE3 TRP 14 HE3 TRP 14 -2.533 2.532 9.140
88 HZ2 TRP 14 HZ2 TRP 14 2.405 2.037 8.731
89 HZ3 TRP 14 HZ3 TRP 14 -1.029 3.283 10.935
90 HH2 TRP 14 HH2 TRP 14 1.392 3.036 10.733
91 H PHE 15 HN PHE 15 -5.376 -0.213 7.863
92 HA PHE 15 HA PHE 15 -7.422 -0.839 5.966
93 1HB PHE 15 HB2 PHE 15 -7.514 -0.275 8.915
94 2HB PHE 15 HB1 PHE 15 -8.955 -0.644 7.972
95 HD1 PHE 15 HD1 PHE 15 -9.238 -2.845 6.948
96 HD2 PHE 15 HD2 PHE 15 -5.947 -2.006 9.508
97 HE1 PHE 15 HE1 PHE 15 -8.827 -5.257 7.195
98 HE2 PHE 15 HE2 PHE 15 -5.533 -4.414 9.768
99 HZ PHE 15 HZ PHE 15 -6.973 -6.044 8.611
100 H TYR 16 HN TYR 16 -7.896 0.722 4.605
101 HA TYR 16 HA TYR 16 -8.639 2.592 3.643
102 1HB TYR 16 HB2 TYR 16 -10.208 2.638 6.225
103 2HB TYR 16 HB1 TYR 16 -10.580 3.637 4.822
104 HD1 TYR 16 HD1 TYR 16 -10.992 2.407 2.579
105 HD2 TYR 16 HD2 TYR 16 -11.152 0.487 6.381
106 HE1 TYR 16 HE1 TYR 16 -12.311 0.582 1.601
107 HE2 TYR 16 HE2 TYR 16 -12.471 -1.340 5.405
108 HH TYR 16 HH TYR 16 -14.140 -1.332 2.993
109 H ARG 17 HN ARG 17 -6.593 3.638 3.673
110 HA ARG 17 HA ARG 17 -6.514 5.935 5.518
111 1HB ARG 17 HB2 ARG 17 -4.208 4.633 4.088
112 2HB ARG 17 HB1 ARG 17 -4.106 6.050 5.130
113 1HG ARG 17 HG2 ARG 17 -5.018 3.314 6.009
114 2HG ARG 17 HG1 ARG 17 -3.398 3.971 6.228
115 1HD ARG 17 HD2 ARG 17 -4.156 5.631 7.688
116 2HD ARG 17 HD1 ARG 17 -5.842 5.363 7.306
117 HE ARG 17 HE ARG 17 -5.512 3.081 8.331
118 1HH1 ARG 17 HH11 ARG 17 -3.678 5.896 9.402
119 2HH1 ARG 17 HH12 ARG 17 -3.523 5.307 11.007
120 1HH2 ARG 17 HH21 ARG 17 -5.285 2.340 10.473
121 2HH2 ARG 17 HH22 ARG 17 -4.425 3.304 11.628
122 HA PRO 18 HA PRO 18 -7.789 7.966 1.713
123 1HB PRO 18 HB2 PRO 18 -7.230 10.396 3.350
124 2HB PRO 18 HB1 PRO 18 -8.687 9.929 2.465
125 1HG PRO 18 HG2 PRO 18 -8.587 9.787 5.123
126 2HG PRO 18 HG1 PRO 18 -9.444 8.560 4.170
127 1HD PRO 18 HD2 PRO 18 -6.759 8.409 5.484
128 2HD PRO 18 HD1 PRO 18 -8.040 7.183 5.352
129 H SER 19 HN SER 19 -4.813 8.362 3.446
130 HA SER 19 HA SER 19 -3.430 8.950 0.984
131 1HB SER 19 HB2 SER 19 -2.172 10.857 2.082
132 2HB SER 19 HB1 SER 19 -3.855 11.199 1.688
133 HG SER 19 HG SER 19 -2.703 10.697 4.213
134 H CYS 20 HN CYS 20 -1.415 8.073 0.984
135 HA CYS 20 HA CYS 20 -0.728 6.457 3.307
136 1HB CYS 20 HB2 CYS 20 -0.735 5.385 1.130
137 2HB CYS 20 HB1 CYS 20 0.462 6.527 0.540
138 HA PRO 21 HA PRO 21 2.208 9.640 4.497
139 1HB PRO 21 HB2 PRO 21 3.263 8.323 6.645
140 2HB PRO 21 HB1 PRO 21 1.693 9.128 6.670
141 1HG PRO 21 HG2 PRO 21 2.317 6.229 6.315
142 2HG PRO 21 HG1 PRO 21 1.044 6.993 7.283
143 1HD PRO 21 HD2 PRO 21 0.599 5.894 4.840
144 2HD PRO 21 HD1 PRO 21 -0.346 7.258 5.472
145 H THR 22 HN THR 22 4.102 9.956 3.498
146 HA THR 22 HA THR 22 5.507 7.748 2.343
147 HB THR 22 HB THR 22 6.806 10.436 2.301
148 HG1 THR 22 HG1 THR 22 5.162 11.452 1.302
149 1HG2 THR 22 HG21 THR 22 7.466 8.606 0.812
150 2HG2 THR 22 HG22 THR 22 6.823 9.978 -0.086
151 3HG2 THR 22 HG23 THR 22 5.828 8.543 0.160
152 H ASP 23 HN ASP 23 5.908 6.792 4.549
153 HA ASP 23 HA ASP 23 8.194 7.931 5.978
154 1HB ASP 23 HB2 ASP 23 6.354 7.007 7.294
155 2HB ASP 23 HB1 ASP 23 6.551 5.444 6.505
156 H ARG 24 HN ARG 24 7.323 4.806 4.473
157 HA ARG 24 HA ARG 24 10.157 4.089 4.280
158 1HB ARG 24 HB2 ARG 24 7.695 2.557 3.462
159 2HB ARG 24 HB1 ARG 24 9.333 1.937 3.421
160 1HG ARG 24 HG2 ARG 24 9.461 2.169 5.858
161 2HG ARG 24 HG1 ARG 24 7.785 2.717 5.879
162 1HD ARG 24 HD2 ARG 24 7.173 0.557 4.735
163 2HD ARG 24 HD1 ARG 24 8.839 0.047 4.987
164 HE ARG 24 HE ARG 24 7.573 0.894 7.408
165 1HH1 ARG 24 HH11 ARG 24 7.875 -1.814 5.182
166 2HH1 ARG 24 HH12 ARG 24 7.506 -2.985 6.389
167 1HH2 ARG 24 HH21 ARG 24 7.086 -0.674 8.978
168 2HH2 ARG 24 HH22 ARG 24 7.053 -2.350 8.538
169 H GLY 25 HN GLY 25 8.858 6.289 2.591
170 1HA GLY 25 HA2 GLY 25 8.917 7.035 0.452
171 2HA GLY 25 HA1 GLY 25 10.286 5.953 0.265
172 H TYR 26 HN TYR 26 7.116 4.805 1.107
173 HA TYR 26 HA TYR 26 6.746 2.714 -0.452
174 1HB TYR 26 HB2 TYR 26 4.613 4.812 -0.007
175 2HB TYR 26 HB1 TYR 26 4.332 3.118 -0.399
176 HD1 TYR 26 HD1 TYR 26 5.430 1.416 1.271
177 HD2 TYR 26 HD2 TYR 26 4.539 5.434 2.234
178 HE1 TYR 26 HE1 TYR 26 5.421 0.808 3.645
179 HE2 TYR 26 HE2 TYR 26 4.524 4.843 4.624
180 HH TYR 26 HH TYR 26 5.692 2.906 6.064
181 H THR 27 HN THR 27 6.607 2.197 -2.525
182 HA THR 27 HA THR 27 6.938 4.226 -4.529
183 HB THR 27 HB THR 27 6.631 1.236 -5.003
184 HG1 THR 27 HG1 THR 27 9.002 2.662 -4.243
185 1HG2 THR 27 HG21 THR 27 8.167 3.393 -6.460
186 2HG2 THR 27 HG22 THR 27 6.655 2.658 -6.996
187 3HG2 THR 27 HG23 THR 27 8.119 1.683 -6.887
188 H GLY 28 HN GLY 28 4.514 1.771 -3.690
189 1HA GLY 28 HA2 GLY 28 2.572 3.226 -5.395
190 2HA GLY 28 HA1 GLY 28 2.668 1.472 -5.363
191 H SER 29 HN SER 29 0.359 2.894 -4.793
192 HA SER 29 HA SER 29 -0.082 2.044 -2.010
193 1HB SER 29 HB2 SER 29 -1.204 4.589 -3.196
194 2HB SER 29 HB1 SER 29 -1.439 3.984 -1.555
195 HG SER 29 HG SER 29 0.231 5.643 -1.862
196 H CYS 30 HN CYS 30 -0.869 0.150 -3.056
197 HA CYS 30 HA CYS 30 -2.968 0.283 -5.002
198 1HB CYS 30 HB2 CYS 30 -2.147 -2.111 -3.351
199 2HB CYS 30 HB1 CYS 30 -2.981 -2.111 -4.886
200 H ARG 31 HN ARG 31 -5.178 0.142 -4.728
201 HA ARG 31 HA ARG 31 -6.173 0.416 -2.027
202 1HB ARG 31 HB2 ARG 31 -7.123 1.203 -4.537
203 2HB ARG 31 HB1 ARG 31 -8.252 -0.044 -4.047
204 1HG ARG 31 HG2 ARG 31 -7.575 2.499 -2.605
205 2HG ARG 31 HG1 ARG 31 -9.111 2.034 -3.332
206 1HD ARG 31 HD2 ARG 31 -7.844 0.667 -0.966
207 2HD ARG 31 HD1 ARG 31 -9.086 1.868 -0.853
208 HE ARG 31 HE ARG 31 -9.371 -0.909 -1.660
209 1HH1 ARG 31 HH11 ARG 31 -10.884 2.261 -1.469
210 2HH1 ARG 31 HH12 ARG 31 -12.471 1.634 -1.683
211 1HH2 ARG 31 HH21 ARG 31 -11.503 -1.709 -1.937
212 2HH2 ARG 31 HH22 ARG 31 -12.835 -0.602 -1.952
213 H TYR 32 HN TYR 32 -5.902 -1.442 -0.940
214 HA TYR 32 HA TYR 32 -6.649 -4.007 -2.070
215 1HB TYR 32 HB2 TYR 32 -4.866 -3.373 -0.209
216 2HB TYR 32 HB1 TYR 32 -6.205 -3.577 0.875
217 HD1 TYR 32 HD1 TYR 32 -4.297 -5.324 -1.806
218 HD2 TYR 32 HD2 TYR 32 -6.805 -5.740 1.611
219 HE1 TYR 32 HE1 TYR 32 -3.881 -7.737 -1.807
220 HE2 TYR 32 HE2 TYR 32 -6.405 -8.165 1.610
221 HH TYR 32 HH TYR 32 -5.519 -9.891 -0.686
222 H PHE 33 HN PHE 33 -8.306 -5.351 -0.903
223 HA PHE 33 HA PHE 33 -10.764 -4.176 -1.126
224 1HB PHE 33 HB2 PHE 33 -10.202 -6.639 -0.995
225 2HB PHE 33 HB1 PHE 33 -10.230 -6.495 0.744
226 HD1 PHE 33 HD1 PHE 33 -12.290 -5.862 -2.290
227 HD2 PHE 33 HD2 PHE 33 -12.305 -6.795 1.855
228 HE1 PHE 33 HE1 PHE 33 -14.721 -6.209 -2.364
229 HE2 PHE 33 HE2 PHE 33 -14.715 -7.128 1.798
230 HZ PHE 33 HZ PHE 33 -15.938 -6.841 -0.320
231 H LEU 34 HN LEU 34 -8.761 -4.336 1.805
232 HA LEU 34 HA LEU 34 -10.848 -2.791 3.215
233 1HB LEU 34 HB2 LEU 34 -8.757 -4.644 4.337
234 2HB LEU 34 HB1 LEU 34 -9.795 -3.630 5.294
235 HG LEU 34 HG LEU 34 -10.771 -5.723 5.435
236 1HD1 LEU 34 HD11 LEU 34 -12.910 -5.474 4.437
237 2HD1 LEU 34 HD12 LEU 34 -12.284 -4.407 3.184
238 3HD1 LEU 34 HD13 LEU 34 -12.336 -3.865 4.864
239 1HD2 LEU 34 HD21 LEU 34 -10.593 -6.014 2.469
240 2HD2 LEU 34 HD22 LEU 34 -11.158 -7.210 3.604
241 3HD2 LEU 34 HD23 LEU 34 -9.463 -6.734 3.587
242 H GLY 35 HN GLY 35 -8.370 -1.848 1.524
243 1HA GLY 35 HA2 GLY 35 -8.160 0.555 2.630
244 2HA GLY 35 HA1 GLY 35 -7.033 -0.351 3.611
245 H THR 36 HN THR 36 -5.226 0.694 3.076
246 HA THR 36 HA THR 36 -4.567 0.944 0.217
247 HB THR 36 HB THR 36 -3.378 2.555 2.498
248 HG1 THR 36 HG1 THR 36 -5.727 3.151 0.964
249 1HG2 THR 36 HG21 THR 36 -2.195 2.639 0.357
250 2HG2 THR 36 HG22 THR 36 -2.970 4.180 0.718
251 3HG2 THR 36 HG23 THR 36 -3.693 3.087 -0.461
252 H CYS 37 HN CYS 37 -3.139 -0.506 -0.444
253 HA CYS 37 HA CYS 37 -1.153 -1.701 1.282
254 1HB CYS 37 HB2 CYS 37 -1.822 -1.939 -1.621
255 2HB CYS 37 HB1 CYS 37 -0.420 -2.731 -0.936
256 H CYS 38 HN CYS 38 0.156 -0.041 1.938
257 HA CYS 38 HA CYS 38 1.459 1.695 0.010
258 1HB CYS 38 HB2 CYS 38 1.843 1.260 2.979
259 2HB CYS 38 HB1 CYS 38 2.744 2.413 2.038
260 H THR 39 HN THR 39 2.827 0.674 -1.326
261 HA THR 39 HA THR 39 4.636 -1.348 -0.190
262 HB THR 39 HB THR 39 4.456 -2.465 -2.451
263 HG1 THR 39 HG1 THR 39 2.147 -0.792 -2.745
264 1HG2 THR 39 HG21 THR 39 3.072 -2.987 -0.284
265 2HG2 THR 39 HG22 THR 39 2.654 -3.730 -1.816
266 3HG2 THR 39 HG23 THR 39 1.741 -2.344 -1.230
267 HA PRO 40 HA PRO 40 7.813 0.685 -2.595
268 1HB PRO 40 HB2 PRO 40 9.772 0.427 -0.672
269 2HB PRO 40 HB1 PRO 40 8.723 1.820 -0.846
270 1HG PRO 40 HG2 PRO 40 8.739 -0.125 1.279
271 2HG PRO 40 HG1 PRO 40 7.810 1.374 1.151
272 1HD PRO 40 HD2 PRO 40 7.001 -1.375 0.600
273 2HD PRO 40 HD1 PRO 40 5.991 0.001 0.917
274 H ALA 41 HN ALA 41 9.319 -1.501 -0.346
275 HA ALA 41 HA ALA 41 9.008 -3.858 -1.872
276 1HB ALA 41 HB1 ALA 41 11.342 -4.233 -2.451
277 2HB ALA 41 HB2 ALA 41 11.761 -2.631 -1.837
278 3HB ALA 41 HB3 ALA 41 10.723 -2.790 -3.253
279 H ASP 42 HN ASP 42 8.684 -2.730 0.833
280 HA ASP 42 HA ASP 42 10.055 -4.767 2.389
281 1HB ASP 42 HB2 ASP 42 11.740 -3.092 2.416
282 2HB ASP 42 HB1 ASP 42 10.564 -1.800 2.637
Start of MODEL 24
1 1H GLY 1 HT1 GLY 1 2.834 -9.578 9.996
2 2H GLY 1 HT2 GLY 1 4.051 -8.560 10.580
3 3H GLY 1 HT3 GLY 1 3.866 -8.780 8.914
4 1HA GLY 1 HA1 GLY 1 1.919 -7.467 10.729
5 2HA GLY 1 HA2 GLY 1 2.992 -6.639 9.607
6 H THR 2 HN THR 2 0.911 -5.758 8.824
7 HA THR 2 HA THR 2 -0.794 -7.563 7.307
8 HB THR 2 HB THR 2 -1.726 -5.149 6.600
9 HG1 THR 2 HG1 THR 2 -1.157 -3.568 8.001
10 1HG2 THR 2 HG21 THR 2 -2.940 -6.819 7.927
11 2HG2 THR 2 HG22 THR 2 -3.165 -5.185 8.532
12 3HG2 THR 2 HG23 THR 2 -2.078 -6.282 9.371
13 H ALA 3 HN ALA 3 1.086 -8.301 6.054
14 HA ALA 3 HA ALA 3 2.399 -6.549 4.271
15 1HB ALA 3 HB1 ALA 3 3.430 -8.541 3.346
16 2HB ALA 3 HB2 ALA 3 2.277 -9.553 4.219
17 3HB ALA 3 HB3 ALA 3 3.443 -8.575 5.108
18 H CYS 4 HN CYS 4 1.975 -5.997 2.226
19 HA CYS 4 HA CYS 4 -0.073 -7.489 0.716
20 1HB CYS 4 HB2 CYS 4 -1.150 -5.475 1.655
21 2HB CYS 4 HB1 CYS 4 0.077 -4.463 0.907
22 H SER 5 HN SER 5 0.227 -7.407 -1.559
23 HA SER 5 HA SER 5 2.831 -6.315 -2.392
24 1HB SER 5 HB2 SER 5 1.724 -9.018 -3.178
25 2HB SER 5 HB1 SER 5 3.268 -8.323 -3.680
26 HG SER 5 HG SER 5 3.357 -9.836 -1.880
27 H CYS 6 HN CYS 6 2.898 -5.324 -4.273
28 HA CYS 6 HA CYS 6 0.617 -5.539 -6.138
29 1HB CYS 6 HB2 CYS 6 2.364 -3.109 -5.636
30 2HB CYS 6 HB1 CYS 6 1.098 -3.240 -6.854
31 H GLY 7 HN GLY 7 1.647 -7.254 -7.190
32 1HA GLY 7 HA2 GLY 7 2.986 -8.147 -8.823
33 2HA GLY 7 HA1 GLY 7 3.686 -6.555 -9.101
34 H ASN 8 HN ASN 8 5.717 -6.205 -8.374
35 HA ASN 8 HA ASN 8 6.894 -8.225 -6.562
36 1HB ASN 8 HB2 ASN 8 9.054 -7.547 -7.390
37 2HB ASN 8 HB1 ASN 8 8.013 -7.948 -8.750
38 1HD2 ASN 8 HD21 ASN 8 10.423 -6.237 -8.562
39 2HD2 ASN 8 HD22 ASN 8 9.927 -4.710 -9.197
40 H SER 9 HN SER 9 5.535 -5.177 -6.518
41 HA SER 9 HA SER 9 7.353 -3.997 -4.590
42 1HB SER 9 HB2 SER 9 6.062 -2.646 -6.263
43 2HB SER 9 HB1 SER 9 4.578 -3.083 -5.419
44 HG SER 9 HG SER 9 5.590 -1.023 -4.815
45 H LYS 10 HN LYS 10 7.206 -4.326 -2.417
46 HA LYS 10 HA LYS 10 4.708 -5.529 -1.365
47 1HB LYS 10 HB2 LYS 10 7.552 -6.420 -0.879
48 2HB LYS 10 HB1 LYS 10 6.159 -7.013 0.023
49 1HG LYS 10 HG2 LYS 10 5.213 -7.957 -1.972
50 2HG LYS 10 HG1 LYS 10 6.502 -7.278 -2.957
51 1HD LYS 10 HD2 LYS 10 8.137 -8.646 -1.742
52 2HD LYS 10 HD1 LYS 10 6.828 -9.346 -0.784
53 1HE LYS 10 HE2 LYS 10 5.854 -10.343 -2.729
54 2HE LYS 10 HE1 LYS 10 6.983 -9.502 -3.794
55 1HZ LYS 10 HZ1 LYS 10 7.630 -11.789 -3.459
56 2HZ LYS 10 HZ2 LYS 10 7.709 -11.566 -1.786
57 3HZ LYS 10 HZ3 LYS 10 8.794 -10.753 -2.802
58 H GLY 11 HN GLY 11 4.140 -5.033 0.705
59 1HA GLY 11 HA2 GLY 11 5.811 -3.742 2.563
60 2HA GLY 11 HA1 GLY 11 4.892 -2.532 1.703
61 H ILE 12 HN ILE 12 3.416 -1.844 3.124
62 HA ILE 12 HA ILE 12 1.812 -3.868 4.560
63 HB ILE 12 HB ILE 12 2.780 -1.174 5.536
64 1HG1 ILE 12 HG12 ILE 12 4.525 -2.893 5.579
65 2HG1 ILE 12 HG11 ILE 12 4.039 -2.444 7.209
66 1HG2 ILE 12 HG21 ILE 12 1.756 -1.959 7.733
67 2HG2 ILE 12 HG22 ILE 12 0.885 -3.151 6.772
68 3HG2 ILE 12 HG23 ILE 12 0.644 -1.432 6.476
69 1HD1 ILE 12 HD11 ILE 12 4.090 -5.009 5.988
70 2HD1 ILE 12 HD12 ILE 12 2.433 -4.656 6.464
71 3HD1 ILE 12 HD13 ILE 12 3.728 -4.578 7.653
72 H TYR 13 HN TYR 13 -0.397 -3.628 4.486
73 HA TYR 13 HA TYR 13 -1.354 -1.234 3.074
74 1HB TYR 13 HB2 TYR 13 -3.272 -2.387 2.379
75 2HB TYR 13 HB1 TYR 13 -1.932 -3.489 2.159
76 HD1 TYR 13 HD1 TYR 13 -1.614 -5.418 3.699
77 HD2 TYR 13 HD2 TYR 13 -5.086 -2.950 3.841
78 HE1 TYR 13 HE1 TYR 13 -2.800 -7.170 4.933
79 HE2 TYR 13 HE2 TYR 13 -6.250 -4.701 5.107
80 HH TYR 13 HH TYR 13 -5.159 -6.884 6.720
81 H TRP 14 HN TRP 14 -2.916 0.047 3.905
82 HA TRP 14 HA TRP 14 -3.187 -0.140 6.833
83 1HB TRP 14 HB2 TRP 14 -3.261 2.228 4.947
84 2HB TRP 14 HB1 TRP 14 -3.527 2.302 6.690
85 HD1 TRP 14 HD1 TRP 14 -0.697 0.906 4.413
86 HE1 TRP 14 HE1 TRP 14 1.548 1.543 5.489
87 HE3 TRP 14 HE3 TRP 14 -2.442 3.373 8.537
88 HZ2 TRP 14 HZ2 TRP 14 2.460 2.915 7.779
89 HZ3 TRP 14 HZ3 TRP 14 -0.820 4.326 10.114
90 HH2 TRP 14 HH2 TRP 14 1.584 4.099 9.746
91 H PHE 15 HN PHE 15 -5.143 -0.079 7.791
92 HA PHE 15 HA PHE 15 -7.374 -0.797 6.156
93 1HB PHE 15 HB2 PHE 15 -7.166 -0.303 9.131
94 2HB PHE 15 HB1 PHE 15 -8.588 -0.959 8.329
95 HD1 PHE 15 HD1 PHE 15 -8.468 -3.173 7.231
96 HD2 PHE 15 HD2 PHE 15 -5.298 -1.687 9.644
97 HE1 PHE 15 HE1 PHE 15 -7.565 -5.452 7.436
98 HE2 PHE 15 HE2 PHE 15 -4.395 -3.960 9.864
99 HZ PHE 15 HZ PHE 15 -5.527 -5.849 8.757
100 H TYR 16 HN TYR 16 -8.789 0.505 5.263
101 HA TYR 16 HA TYR 16 -9.821 2.342 4.545
102 1HB TYR 16 HB2 TYR 16 -11.265 3.492 6.114
103 2HB TYR 16 HB1 TYR 16 -11.287 1.761 6.395
104 HD1 TYR 16 HD1 TYR 16 -10.727 0.874 8.532
105 HD2 TYR 16 HD2 TYR 16 -9.977 4.980 7.698
106 HE1 TYR 16 HE1 TYR 16 -10.242 1.271 10.907
107 HE2 TYR 16 HE2 TYR 16 -9.477 5.382 10.055
108 HH TYR 16 HH TYR 16 -8.610 3.435 12.109
109 H ARG 17 HN ARG 17 -6.900 2.685 5.250
110 HA ARG 17 HA ARG 17 -6.811 5.557 5.799
111 1HB ARG 17 HB2 ARG 17 -4.685 3.486 5.730
112 2HB ARG 17 HB1 ARG 17 -4.349 5.174 6.002
113 1HG ARG 17 HG2 ARG 17 -6.155 3.529 7.756
114 2HG ARG 17 HG1 ARG 17 -4.446 3.732 8.058
115 1HD ARG 17 HD2 ARG 17 -6.364 6.020 7.772
116 2HD ARG 17 HD1 ARG 17 -5.983 5.270 9.311
117 HE ARG 17 HE ARG 17 -3.552 5.837 8.630
118 1HH1 ARG 17 HH11 ARG 17 -6.374 7.857 8.057
119 2HH1 ARG 17 HH12 ARG 17 -5.465 9.313 8.110
120 1HH2 ARG 17 HH21 ARG 17 -2.387 7.790 8.717
121 2HH2 ARG 17 HH22 ARG 17 -3.217 9.294 8.486
122 HA PRO 18 HA PRO 18 -6.207 5.645 1.304
123 1HB PRO 18 HB2 PRO 18 -7.519 7.941 0.841
124 2HB PRO 18 HB1 PRO 18 -8.364 6.453 1.258
125 1HG PRO 18 HG2 PRO 18 -7.821 8.835 2.938
126 2HG PRO 18 HG1 PRO 18 -9.202 7.728 2.959
127 1HD PRO 18 HD2 PRO 18 -6.948 7.691 4.679
128 2HD PRO 18 HD1 PRO 18 -8.238 6.494 4.557
129 H SER 19 HN SER 19 -4.103 6.423 3.159
130 HA SER 19 HA SER 19 -2.769 8.376 1.508
131 1HB SER 19 HB2 SER 19 -4.043 9.723 3.201
132 2HB SER 19 HB1 SER 19 -3.122 8.926 4.474
133 HG SER 19 HG SER 19 -2.170 10.905 3.905
134 H CYS 20 HN CYS 20 -0.814 7.551 1.186
135 HA CYS 20 HA CYS 20 0.257 5.617 3.078
136 1HB CYS 20 HB2 CYS 20 1.081 6.388 0.293
137 2HB CYS 20 HB1 CYS 20 1.996 5.257 1.287
138 HA PRO 21 HA PRO 21 2.754 8.781 5.045
139 1HB PRO 21 HB2 PRO 21 4.265 6.332 5.867
140 2HB PRO 21 HB1 PRO 21 3.661 7.676 6.839
141 1HG PRO 21 HG2 PRO 21 2.425 5.332 6.862
142 2HG PRO 21 HG1 PRO 21 1.501 6.846 6.889
143 1HD PRO 21 HD2 PRO 21 1.975 4.952 4.624
144 2HD PRO 21 HD1 PRO 21 0.519 5.877 5.054
145 H THR 22 HN THR 22 4.156 9.908 3.853
146 HA THR 22 HA THR 22 5.787 8.687 1.837
147 HB THR 22 HB THR 22 6.031 11.569 2.754
148 HG1 THR 22 HG1 THR 22 3.896 10.456 1.191
149 1HG2 THR 22 HG21 THR 22 7.487 10.879 0.950
150 2HG2 THR 22 HG22 THR 22 6.227 11.936 0.324
151 3HG2 THR 22 HG23 THR 22 6.123 10.196 0.064
152 H ASP 23 HN ASP 23 6.229 8.763 5.079
153 HA ASP 23 HA ASP 23 8.943 9.651 5.225
154 1HB ASP 23 HB2 ASP 23 7.083 8.298 7.181
155 2HB ASP 23 HB1 ASP 23 8.760 8.667 7.577
156 H ARG 24 HN ARG 24 7.317 6.467 5.266
157 HA ARG 24 HA ARG 24 9.961 5.199 5.318
158 1HB ARG 24 HB2 ARG 24 7.950 4.547 6.829
159 2HB ARG 24 HB1 ARG 24 7.352 3.693 5.408
160 1HG ARG 24 HG2 ARG 24 9.241 2.281 5.342
161 2HG ARG 24 HG1 ARG 24 10.127 3.273 6.499
162 1HD ARG 24 HD2 ARG 24 9.425 1.442 7.739
163 2HD ARG 24 HD1 ARG 24 8.295 2.701 8.161
164 HE ARG 24 HE ARG 24 6.629 1.668 6.809
165 1HH1 ARG 24 HH11 ARG 24 9.525 -0.275 7.254
166 2HH1 ARG 24 HH12 ARG 24 8.700 -1.745 7.038
167 1HH2 ARG 24 HH21 ARG 24 5.586 -0.316 6.375
168 2HH2 ARG 24 HH22 ARG 24 6.472 -1.790 6.476
169 H GLY 25 HN GLY 25 9.318 6.556 2.989
170 1HA GLY 25 HA2 GLY 25 9.397 6.336 0.735
171 2HA GLY 25 HA1 GLY 25 10.466 5.030 1.197
172 H TYR 26 HN TYR 26 6.925 5.073 1.604
173 HA TYR 26 HA TYR 26 6.590 2.570 0.303
174 1HB TYR 26 HB2 TYR 26 4.573 4.755 0.872
175 2HB TYR 26 HB1 TYR 26 4.167 3.135 0.310
176 HD1 TYR 26 HD1 TYR 26 5.355 1.231 1.790
177 HD2 TYR 26 HD2 TYR 26 4.309 5.075 3.155
178 HE1 TYR 26 HE1 TYR 26 5.333 0.372 4.088
179 HE2 TYR 26 HE2 TYR 26 4.281 4.259 5.472
180 HH TYR 26 HH TYR 26 3.902 1.523 6.443
181 H THR 27 HN THR 27 6.745 2.163 -1.790
182 HA THR 27 HA THR 27 6.989 4.403 -3.618
183 HB THR 27 HB THR 27 7.455 1.446 -4.156
184 HG1 THR 27 HG1 THR 27 9.292 3.455 -3.240
185 1HG2 THR 27 HG21 THR 27 8.989 2.332 -5.890
186 2HG2 THR 27 HG22 THR 27 8.403 3.959 -5.548
187 3HG2 THR 27 HG23 THR 27 7.302 2.741 -6.195
188 H GLY 28 HN GLY 28 4.929 1.541 -3.243
189 1HA GLY 28 HA2 GLY 28 3.282 2.495 -5.512
190 2HA GLY 28 HA1 GLY 28 3.417 0.832 -4.968
191 H SER 29 HN SER 29 1.029 2.428 -5.310
192 HA SER 29 HA SER 29 -0.062 2.054 -2.608
193 1HB SER 29 HB2 SER 29 0.503 4.489 -3.045
194 2HB SER 29 HB1 SER 29 -0.767 4.470 -4.266
195 HG SER 29 HG SER 29 -1.393 5.164 -2.096
196 H CYS 30 HN CYS 30 -1.353 0.381 -3.022
197 HA CYS 30 HA CYS 30 -3.170 0.498 -5.365
198 1HB CYS 30 HB2 CYS 30 -2.310 -1.960 -3.829
199 2HB CYS 30 HB1 CYS 30 -3.180 -1.891 -5.350
200 H ARG 31 HN ARG 31 -5.344 -0.356 -5.001
201 HA ARG 31 HA ARG 31 -6.250 0.180 -2.266
202 1HB ARG 31 HB2 ARG 31 -7.545 1.299 -3.948
203 2HB ARG 31 HB1 ARG 31 -7.791 -0.203 -4.829
204 1HG ARG 31 HG2 ARG 31 -9.787 0.384 -3.618
205 2HG ARG 31 HG1 ARG 31 -9.110 -1.090 -2.943
206 1HD ARG 31 HD2 ARG 31 -7.951 0.573 -1.264
207 2HD ARG 31 HD1 ARG 31 -9.186 1.667 -1.834
208 HE ARG 31 HE ARG 31 -9.920 -0.973 -0.743
209 1HH1 ARG 31 HH11 ARG 31 -9.959 2.530 -0.410
210 2HH1 ARG 31 HH12 ARG 31 -11.228 2.508 0.748
211 1HH2 ARG 31 HH21 ARG 31 -11.563 -0.970 0.836
212 2HH2 ARG 31 HH22 ARG 31 -12.139 0.535 1.470
213 H TYR 32 HN TYR 32 -6.637 -1.393 -0.909
214 HA TYR 32 HA TYR 32 -7.039 -4.146 -1.917
215 1HB TYR 32 HB2 TYR 32 -5.074 -3.431 -0.315
216 2HB TYR 32 HB1 TYR 32 -6.282 -3.507 0.929
217 HD1 TYR 32 HD1 TYR 32 -7.334 -5.683 1.503
218 HD2 TYR 32 HD2 TYR 32 -4.266 -5.435 -1.418
219 HE1 TYR 32 HE1 TYR 32 -7.013 -8.110 1.640
220 HE2 TYR 32 HE2 TYR 32 -3.897 -7.839 -1.261
221 HH TYR 32 HH TYR 32 -5.785 -9.917 -0.403
222 H PHE 33 HN PHE 33 -8.686 -5.378 -0.782
223 HA PHE 33 HA PHE 33 -11.105 -4.137 -0.570
224 1HB PHE 33 HB2 PHE 33 -10.759 -6.578 -0.649
225 2HB PHE 33 HB1 PHE 33 -10.241 -6.561 1.022
226 HD1 PHE 33 HD1 PHE 33 -13.111 -5.602 -1.149
227 HD2 PHE 33 HD2 PHE 33 -11.832 -6.927 2.693
228 HE1 PHE 33 HE1 PHE 33 -15.454 -5.871 -0.462
229 HE2 PHE 33 HE2 PHE 33 -14.174 -7.189 3.383
230 HZ PHE 33 HZ PHE 33 -15.989 -6.666 1.806
231 H LEU 34 HN LEU 34 -8.777 -4.612 2.058
232 HA LEU 34 HA LEU 34 -10.586 -3.437 3.992
233 1HB LEU 34 HB2 LEU 34 -7.806 -4.523 4.259
234 2HB LEU 34 HB1 LEU 34 -8.745 -3.929 5.585
235 HG LEU 34 HG LEU 34 -9.008 -6.218 5.774
236 1HD1 LEU 34 HD11 LEU 34 -11.303 -6.665 5.295
237 2HD1 LEU 34 HD12 LEU 34 -11.361 -5.402 4.074
238 3HD1 LEU 34 HD13 LEU 34 -11.155 -4.978 5.772
239 1HD2 LEU 34 HD21 LEU 34 -7.970 -6.677 3.516
240 2HD2 LEU 34 HD22 LEU 34 -9.580 -6.485 2.836
241 3HD2 LEU 34 HD23 LEU 34 -9.273 -7.755 4.004
242 H GLY 35 HN GLY 35 -8.114 -2.221 1.940
243 1HA GLY 35 HA2 GLY 35 -8.493 0.410 2.697
244 2HA GLY 35 HA1 GLY 35 -7.187 -0.188 3.687
245 H THR 36 HN THR 36 -5.449 0.877 2.843
246 HA THR 36 HA THR 36 -5.068 0.673 -0.082
247 HB THR 36 HB THR 36 -3.929 2.809 1.744
248 HG1 THR 36 HG1 THR 36 -6.288 2.900 0.117
249 1HG2 THR 36 HG21 THR 36 -2.702 2.536 -0.326
250 2HG2 THR 36 HG22 THR 36 -3.651 4.019 -0.386
251 3HG2 THR 36 HG23 THR 36 -4.201 2.588 -1.257
252 H CYS 37 HN CYS 37 -3.409 -0.488 -0.737
253 HA CYS 37 HA CYS 37 -1.451 -1.506 1.104
254 1HB CYS 37 HB2 CYS 37 -1.964 -1.901 -1.815
255 2HB CYS 37 HB1 CYS 37 -0.600 -2.638 -0.989
256 H CYS 38 HN CYS 38 0.106 -0.166 1.730
257 HA CYS 38 HA CYS 38 1.375 1.593 -0.266
258 1HB CYS 38 HB2 CYS 38 1.774 1.535 2.732
259 2HB CYS 38 HB1 CYS 38 2.322 2.760 1.593
260 H THR 39 HN THR 39 2.877 0.452 -1.358
261 HA THR 39 HA THR 39 4.510 -1.470 0.146
262 HB THR 39 HB THR 39 4.707 -2.672 -2.039
263 HG1 THR 39 HG1 THR 39 2.569 -0.967 -2.873
264 1HG2 THR 39 HG21 THR 39 2.982 -3.157 -0.210
265 2HG2 THR 39 HG22 THR 39 2.659 -3.775 -1.827
266 3HG2 THR 39 HG23 THR 39 1.835 -2.326 -1.258
267 HA PRO 40 HA PRO 40 8.091 0.476 -1.772
268 1HB PRO 40 HB2 PRO 40 9.752 0.203 0.394
269 2HB PRO 40 HB1 PRO 40 8.667 1.540 0.143
270 1HG PRO 40 HG2 PRO 40 8.475 -0.523 2.147
271 2HG PRO 40 HG1 PRO 40 7.570 0.983 2.002
272 1HD PRO 40 HD2 PRO 40 6.828 -1.722 1.187
273 2HD PRO 40 HD1 PRO 40 5.785 -0.348 1.444
274 H ALA 41 HN ALA 41 9.443 -1.669 0.590
275 HA ALA 41 HA ALA 41 9.383 -4.032 -1.015
276 1HB ALA 41 HB1 ALA 41 11.817 -4.299 -1.146
277 2HB ALA 41 HB2 ALA 41 12.039 -2.689 -0.456
278 3HB ALA 41 HB3 ALA 41 11.288 -2.874 -2.040
279 H ASP 42 HN ASP 42 8.332 -3.233 1.438
280 HA ASP 42 HA ASP 42 10.095 -4.084 3.565
281 1HB ASP 42 HB2 ASP 42 8.612 -2.127 3.800
282 2HB ASP 42 HB1 ASP 42 7.213 -3.162 3.628
Start of MODEL 25
1 1H GLY 1 HT1 GLY 1 -0.584 -8.696 11.774
2 2H GLY 1 HT2 GLY 1 0.991 -9.196 12.130
3 3H GLY 1 HT3 GLY 1 0.103 -9.999 10.937
4 1HA GLY 1 HA1 GLY 1 1.040 -7.188 10.824
5 2HA GLY 1 HA2 GLY 1 1.753 -8.541 9.954
6 H THR 2 HN THR 2 0.760 -6.201 8.722
7 HA THR 2 HA THR 2 -1.508 -7.335 7.195
8 HB THR 2 HB THR 2 -2.094 -4.889 6.709
9 HG1 THR 2 HG1 THR 2 -1.195 -3.331 7.931
10 1HG2 THR 2 HG21 THR 2 -3.427 -6.259 8.222
11 2HG2 THR 2 HG22 THR 2 -3.327 -4.589 8.778
12 3HG2 THR 2 HG23 THR 2 -2.350 -5.835 9.554
13 H ALA 3 HN ALA 3 0.753 -8.196 6.340
14 HA ALA 3 HA ALA 3 2.187 -6.431 4.623
15 1HB ALA 3 HB1 ALA 3 3.365 -8.414 3.865
16 2HB ALA 3 HB2 ALA 3 2.177 -9.442 4.669
17 3HB ALA 3 HB3 ALA 3 3.226 -8.395 5.622
18 H CYS 4 HN CYS 4 1.969 -6.010 2.505
19 HA CYS 4 HA CYS 4 -0.030 -7.501 0.931
20 1HB CYS 4 HB2 CYS 4 -1.139 -5.500 1.763
21 2HB CYS 4 HB1 CYS 4 0.178 -4.488 1.179
22 H SER 5 HN SER 5 0.325 -7.427 -1.342
23 HA SER 5 HA SER 5 2.999 -6.454 -2.135
24 1HB SER 5 HB2 SER 5 1.737 -9.060 -3.015
25 2HB SER 5 HB1 SER 5 3.352 -8.465 -3.406
26 HG SER 5 HG SER 5 2.356 -9.402 -0.937
27 H CYS 6 HN CYS 6 3.097 -5.367 -3.993
28 HA CYS 6 HA CYS 6 0.750 -5.376 -5.796
29 1HB CYS 6 HB2 CYS 6 2.482 -3.047 -4.963
30 2HB CYS 6 HB1 CYS 6 1.342 -2.996 -6.301
31 H GLY 7 HN GLY 7 1.696 -6.897 -7.165
32 1HA GLY 7 HA2 GLY 7 2.930 -7.570 -8.954
33 2HA GLY 7 HA1 GLY 7 3.278 -5.871 -9.237
34 H ASN 8 HN ASN 8 5.219 -5.023 -8.572
35 HA ASN 8 HA ASN 8 7.315 -6.981 -7.956
36 1HB ASN 8 HB2 ASN 8 7.682 -5.399 -9.789
37 2HB ASN 8 HB1 ASN 8 7.450 -4.044 -8.689
38 1HD2 ASN 8 HD21 ASN 8 9.456 -3.160 -8.908
39 2HD2 ASN 8 HD22 ASN 8 10.900 -3.953 -8.390
40 H SER 9 HN SER 9 5.750 -4.125 -6.616
41 HA SER 9 HA SER 9 7.653 -3.846 -4.489
42 1HB SER 9 HB2 SER 9 4.976 -2.484 -4.894
43 2HB SER 9 HB1 SER 9 6.286 -1.962 -3.835
44 HG SER 9 HG SER 9 6.149 -0.932 -5.975
45 H LYS 10 HN LYS 10 7.376 -4.247 -2.304
46 HA LYS 10 HA LYS 10 4.882 -5.589 -1.479
47 1HB LYS 10 HB2 LYS 10 6.090 -7.264 -0.268
48 2HB LYS 10 HB1 LYS 10 6.567 -7.317 -1.951
49 1HG LYS 10 HG2 LYS 10 8.615 -6.118 -1.417
50 2HG LYS 10 HG1 LYS 10 8.172 -6.079 0.286
51 1HD LYS 10 HD2 LYS 10 8.279 -8.711 -1.147
52 2HD LYS 10 HD1 LYS 10 9.782 -7.918 -0.687
53 1HE LYS 10 HE2 LYS 10 9.118 -9.479 1.023
54 2HE LYS 10 HE1 LYS 10 9.031 -7.843 1.633
55 1HZ LYS 10 HZ1 LYS 10 6.719 -7.887 1.638
56 2HZ LYS 10 HZ2 LYS 10 7.137 -9.431 2.172
57 3HZ LYS 10 HZ3 LYS 10 6.626 -9.206 0.577
58 H GLY 11 HN GLY 11 4.126 -4.962 0.470
59 1HA GLY 11 HA2 GLY 11 5.828 -3.749 2.453
60 2HA GLY 11 HA1 GLY 11 4.859 -2.591 1.583
61 H ILE 12 HN ILE 12 3.461 -1.938 3.083
62 HA ILE 12 HA ILE 12 1.835 -4.001 4.454
63 HB ILE 12 HB ILE 12 2.821 -1.349 5.547
64 1HG1 ILE 12 HG12 ILE 12 4.635 -2.983 5.427
65 2HG1 ILE 12 HG11 ILE 12 4.171 -2.706 7.101
66 1HG2 ILE 12 HG21 ILE 12 1.894 -2.248 7.709
67 2HG2 ILE 12 HG22 ILE 12 1.091 -3.495 6.757
68 3HG2 ILE 12 HG23 ILE 12 0.696 -1.797 6.502
69 1HD1 ILE 12 HD11 ILE 12 2.816 -4.811 6.979
70 2HD1 ILE 12 HD12 ILE 12 4.553 -5.024 6.811
71 3HD1 ILE 12 HD13 ILE 12 3.524 -5.081 5.394
72 H TYR 13 HN TYR 13 -0.368 -3.672 4.477
73 HA TYR 13 HA TYR 13 -1.272 -1.264 3.064
74 1HB TYR 13 HB2 TYR 13 -3.178 -2.361 2.359
75 2HB TYR 13 HB1 TYR 13 -1.950 -3.601 2.303
76 HD1 TYR 13 HD1 TYR 13 -5.006 -2.504 3.941
77 HD2 TYR 13 HD2 TYR 13 -1.967 -5.491 3.865
78 HE1 TYR 13 HE1 TYR 13 -6.403 -3.970 5.297
79 HE2 TYR 13 HE2 TYR 13 -3.390 -6.972 5.215
80 HH TYR 13 HH TYR 13 -5.675 -6.195 7.015
81 H TRP 14 HN TRP 14 -2.577 0.186 3.949
82 HA TRP 14 HA TRP 14 -2.963 -0.013 6.863
83 1HB TRP 14 HB2 TRP 14 -2.795 2.388 5.031
84 2HB TRP 14 HB1 TRP 14 -3.047 2.460 6.774
85 HD1 TRP 14 HD1 TRP 14 -0.357 0.991 4.357
86 HE1 TRP 14 HE1 TRP 14 1.950 1.394 5.422
87 HE3 TRP 14 HE3 TRP 14 -1.849 3.225 8.706
88 HZ2 TRP 14 HZ2 TRP 14 3.000 2.516 7.789
89 HZ3 TRP 14 HZ3 TRP 14 -0.131 3.939 10.313
90 HH2 TRP 14 HH2 TRP 14 2.243 3.592 9.863
91 H PHE 15 HN PHE 15 -4.943 0.466 7.766
92 HA PHE 15 HA PHE 15 -7.156 -0.201 6.081
93 1HB PHE 15 HB2 PHE 15 -7.055 0.532 9.011
94 2HB PHE 15 HB1 PHE 15 -8.483 -0.077 8.181
95 HD1 PHE 15 HD1 PHE 15 -5.474 -0.963 9.899
96 HD2 PHE 15 HD2 PHE 15 -8.348 -2.362 7.085
97 HE1 PHE 15 HE1 PHE 15 -4.758 -3.275 10.318
98 HE2 PHE 15 HE2 PHE 15 -7.636 -4.676 7.503
99 HZ PHE 15 HZ PHE 15 -5.839 -5.137 9.122
100 H TYR 16 HN TYR 16 -8.405 1.090 5.009
101 HA TYR 16 HA TYR 16 -9.489 2.891 4.208
102 1HB TYR 16 HB2 TYR 16 -10.026 2.958 7.164
103 2HB TYR 16 HB1 TYR 16 -10.873 4.025 6.051
104 HD1 TYR 16 HD1 TYR 16 -12.153 2.963 4.102
105 HD2 TYR 16 HD2 TYR 16 -10.822 0.765 7.502
106 HE1 TYR 16 HE1 TYR 16 -13.802 1.210 3.612
107 HE2 TYR 16 HE2 TYR 16 -12.469 -0.989 7.014
108 HH TYR 16 HH TYR 16 -14.985 -0.769 5.469
109 H ARG 17 HN ARG 17 -6.686 3.607 4.617
110 HA ARG 17 HA ARG 17 -7.143 6.486 5.015
111 1HB ARG 17 HB2 ARG 17 -4.754 6.816 5.258
112 2HB ARG 17 HB1 ARG 17 -5.429 5.796 6.518
113 1HG ARG 17 HG2 ARG 17 -4.399 3.899 5.750
114 2HG ARG 17 HG1 ARG 17 -4.142 4.522 4.133
115 1HD ARG 17 HD2 ARG 17 -2.054 4.441 5.345
116 2HD ARG 17 HD1 ARG 17 -2.518 6.074 4.967
117 HE ARG 17 HE ARG 17 -3.137 5.014 7.630
118 1HH1 ARG 17 HH11 ARG 17 -1.343 7.266 5.615
119 2HH1 ARG 17 HH12 ARG 17 -0.667 8.100 6.951
120 1HH2 ARG 17 HH21 ARG 17 -2.234 6.160 9.403
121 2HH2 ARG 17 HH22 ARG 17 -1.170 7.495 9.105
122 HA PRO 18 HA PRO 18 -6.691 6.305 0.529
123 1HB PRO 18 HB2 PRO 18 -7.789 8.727 0.033
124 2HB PRO 18 HB1 PRO 18 -8.756 7.310 0.445
125 1HG PRO 18 HG2 PRO 18 -7.932 9.596 2.173
126 2HG PRO 18 HG1 PRO 18 -9.480 8.737 2.106
127 1HD PRO 18 HD2 PRO 18 -7.525 8.301 3.994
128 2HD PRO 18 HD1 PRO 18 -8.770 7.118 3.548
129 H SER 19 HN SER 19 -4.900 7.760 2.814
130 HA SER 19 HA SER 19 -3.244 9.207 0.881
131 1HB SER 19 HB2 SER 19 -4.259 10.785 2.437
132 2HB SER 19 HB1 SER 19 -3.709 9.827 3.809
133 HG SER 19 HG SER 19 -2.380 11.695 3.205
134 H CYS 20 HN CYS 20 -1.557 7.947 0.469
135 HA CYS 20 HA CYS 20 -0.611 6.039 2.426
136 1HB CYS 20 HB2 CYS 20 -0.764 5.409 0.064
137 2HB CYS 20 HB1 CYS 20 0.410 6.651 -0.353
138 HA PRO 21 HA PRO 21 2.436 8.965 3.954
139 1HB PRO 21 HB2 PRO 21 3.780 7.250 5.572
140 2HB PRO 21 HB1 PRO 21 2.187 7.889 5.973
141 1HG PRO 21 HG2 PRO 21 2.898 5.238 4.799
142 2HG PRO 21 HG1 PRO 21 1.764 5.613 6.095
143 1HD PRO 21 HD2 PRO 21 0.991 5.167 3.564
144 2HD PRO 21 HD1 PRO 21 0.114 6.244 4.627
145 H THR 22 HN THR 22 4.965 8.753 4.334
146 HA THR 22 HA THR 22 6.166 7.258 2.082
147 HB THR 22 HB THR 22 7.696 9.353 1.845
148 HG1 THR 22 HG1 THR 22 7.075 10.595 3.563
149 1HG2 THR 22 HG21 THR 22 6.111 8.653 0.128
150 2HG2 THR 22 HG22 THR 22 6.166 10.409 0.282
151 3HG2 THR 22 HG23 THR 22 4.814 9.507 0.968
152 H ASP 23 HN ASP 23 6.057 6.577 4.858
153 HA ASP 23 HA ASP 23 8.474 7.422 6.125
154 1HB ASP 23 HB2 ASP 23 6.410 5.325 6.804
155 2HB ASP 23 HB1 ASP 23 7.831 5.602 7.809
156 H ARG 24 HN ARG 24 7.605 4.683 4.124
157 HA ARG 24 HA ARG 24 10.245 3.464 4.679
158 1HB ARG 24 HB2 ARG 24 7.704 2.292 3.580
159 2HB ARG 24 HB1 ARG 24 9.242 1.443 3.559
160 1HG ARG 24 HG2 ARG 24 9.310 1.561 6.010
161 2HG ARG 24 HG1 ARG 24 7.717 2.323 5.996
162 1HD ARG 24 HD2 ARG 24 6.751 0.389 4.925
163 2HD ARG 24 HD1 ARG 24 8.352 -0.340 4.756
164 HE ARG 24 HE ARG 24 7.488 0.253 7.468
165 1HH1 ARG 24 HH11 ARG 24 7.620 -2.139 4.899
166 2HH1 ARG 24 HH12 ARG 24 7.573 -3.467 5.991
167 1HH2 ARG 24 HH21 ARG 24 7.420 -1.529 8.888
168 2HH2 ARG 24 HH22 ARG 24 7.447 -3.138 8.244
169 H GLY 25 HN GLY 25 9.115 5.646 2.621
170 1HA GLY 25 HA2 GLY 25 9.588 6.251 0.480
171 2HA GLY 25 HA1 GLY 25 10.896 5.073 0.492
172 H TYR 26 HN TYR 26 7.361 4.939 0.718
173 HA TYR 26 HA TYR 26 7.106 2.424 -0.461
174 1HB TYR 26 HB2 TYR 26 5.065 4.642 -0.306
175 2HB TYR 26 HB1 TYR 26 4.710 2.951 -0.651
176 HD1 TYR 26 HD1 TYR 26 5.326 1.230 1.138
177 HD2 TYR 26 HD2 TYR 26 5.143 5.375 1.915
178 HE1 TYR 26 HE1 TYR 26 5.084 0.751 3.537
179 HE2 TYR 26 HE2 TYR 26 4.880 4.932 4.311
180 HH TYR 26 HH TYR 26 5.631 2.745 5.874
181 H THR 27 HN THR 27 6.606 1.718 -2.488
182 HA THR 27 HA THR 27 7.272 3.578 -4.653
183 HB THR 27 HB THR 27 7.151 0.543 -4.641
184 HG1 THR 27 HG1 THR 27 9.391 2.330 -4.463
185 1HG2 THR 27 HG21 THR 27 8.546 0.835 -6.707
186 2HG2 THR 27 HG22 THR 27 8.115 2.543 -6.688
187 3HG2 THR 27 HG23 THR 27 6.861 1.314 -6.877
188 H GLY 28 HN GLY 28 4.849 1.066 -3.842
189 1HA GLY 28 HA2 GLY 28 3.099 2.276 -5.916
190 2HA GLY 28 HA1 GLY 28 3.174 0.564 -5.557
191 H SER 29 HN SER 29 1.079 2.806 -5.400
192 HA SER 29 HA SER 29 0.088 2.131 -2.701
193 1HB SER 29 HB2 SER 29 0.452 4.554 -3.106
194 2HB SER 29 HB1 SER 29 -0.712 4.481 -4.426
195 HG SER 29 HG SER 29 -1.537 5.156 -2.310
196 H CYS 30 HN CYS 30 -1.563 0.738 -2.693
197 HA CYS 30 HA CYS 30 -3.195 0.428 -5.152
198 1HB CYS 30 HB2 CYS 30 -2.263 -1.849 -3.416
199 2HB CYS 30 HB1 CYS 30 -2.994 -1.919 -4.997
200 H ARG 31 HN ARG 31 -5.200 -0.831 -4.761
201 HA ARG 31 HA ARG 31 -6.328 -0.203 -2.102
202 1HB ARG 31 HB2 ARG 31 -7.664 0.835 -3.750
203 2HB ARG 31 HB1 ARG 31 -7.623 -0.577 -4.794
204 1HG ARG 31 HG2 ARG 31 -9.788 -0.359 -3.768
205 2HG ARG 31 HG1 ARG 31 -9.009 -1.814 -3.172
206 1HD ARG 31 HD2 ARG 31 -8.290 -0.413 -1.163
207 2HD ARG 31 HD1 ARG 31 -9.381 0.818 -1.787
208 HE ARG 31 HE ARG 31 -10.467 -1.864 -1.343
209 1HH1 ARG 31 HH11 ARG 31 -10.115 1.405 -0.092
210 2HH1 ARG 31 HH12 ARG 31 -11.490 1.267 0.931
211 1HH2 ARG 31 HH21 ARG 31 -12.265 -2.015 0.034
212 2HH2 ARG 31 HH22 ARG 31 -12.707 -0.660 1.019
213 H TYR 32 HN TYR 32 -6.470 -1.860 -0.765
214 HA TYR 32 HA TYR 32 -6.867 -4.571 -1.881
215 1HB TYR 32 HB2 TYR 32 -4.859 -3.756 -0.196
216 2HB TYR 32 HB1 TYR 32 -6.011 -4.383 0.940
217 HD1 TYR 32 HD1 TYR 32 -6.605 -6.762 0.944
218 HD2 TYR 32 HD2 TYR 32 -3.789 -5.230 -1.854
219 HE1 TYR 32 HE1 TYR 32 -5.856 -9.047 0.434
220 HE2 TYR 32 HE2 TYR 32 -3.007 -7.492 -2.331
221 HH TYR 32 HH TYR 32 -4.506 -10.055 -1.958
222 H PHE 33 HN PHE 33 -8.177 -5.949 -0.403
223 HA PHE 33 HA PHE 33 -10.696 -4.998 -0.369
224 1HB PHE 33 HB2 PHE 33 -9.717 -7.119 1.539
225 2HB PHE 33 HB1 PHE 33 -11.357 -6.918 0.953
226 HD1 PHE 33 HD1 PHE 33 -11.507 -6.853 -1.725
227 HD2 PHE 33 HD2 PHE 33 -8.436 -8.742 0.550
228 HE1 PHE 33 HE1 PHE 33 -10.995 -8.316 -3.630
229 HE2 PHE 33 HE2 PHE 33 -7.922 -10.204 -1.357
230 HZ PHE 33 HZ PHE 33 -9.200 -9.992 -3.451
231 H LEU 34 HN LEU 34 -8.427 -4.687 2.334
232 HA LEU 34 HA LEU 34 -10.585 -3.496 3.957
233 1HB LEU 34 HB2 LEU 34 -7.921 -4.564 4.808
234 2HB LEU 34 HB1 LEU 34 -9.130 -3.931 5.880
235 HG LEU 34 HG LEU 34 -9.319 -6.229 6.112
236 1HD1 LEU 34 HD11 LEU 34 -11.464 -6.817 5.244
237 2HD1 LEU 34 HD12 LEU 34 -11.352 -5.599 3.977
238 3HD1 LEU 34 HD13 LEU 34 -11.482 -5.108 5.667
239 1HD2 LEU 34 HD21 LEU 34 -9.179 -6.541 3.133
240 2HD2 LEU 34 HD22 LEU 34 -9.310 -7.831 4.298
241 3HD2 LEU 34 HD23 LEU 34 -7.857 -6.838 4.237
242 H GLY 35 HN GLY 35 -8.098 -2.394 2.000
243 1HA GLY 35 HA2 GLY 35 -8.374 0.243 2.740
244 2HA GLY 35 HA1 GLY 35 -7.077 -0.374 3.744
245 H THR 36 HN THR 36 -5.511 0.916 2.855
246 HA THR 36 HA THR 36 -5.046 0.681 -0.037
247 HB THR 36 HB THR 36 -4.017 2.813 1.861
248 HG1 THR 36 HG1 THR 36 -6.306 2.857 0.131
249 1HG2 THR 36 HG21 THR 36 -2.692 2.632 -0.164
250 2HG2 THR 36 HG22 THR 36 -3.689 4.082 -0.228
251 3HG2 THR 36 HG23 THR 36 -4.153 2.657 -1.155
252 H CYS 37 HN CYS 37 -3.335 -0.411 -0.717
253 HA CYS 37 HA CYS 37 -1.376 -1.420 1.140
254 1HB CYS 37 HB2 CYS 37 -1.897 -1.861 -1.756
255 2HB CYS 37 HB1 CYS 37 -0.487 -2.536 -0.973
256 H CYS 38 HN CYS 38 0.263 -0.183 1.727
257 HA CYS 38 HA CYS 38 1.547 1.547 -0.290
258 1HB CYS 38 HB2 CYS 38 1.772 1.446 2.721
259 2HB CYS 38 HB1 CYS 38 2.791 2.428 1.700
260 H THR 39 HN THR 39 2.881 0.301 -1.457
261 HA THR 39 HA THR 39 4.491 -1.714 -0.055
262 HB THR 39 HB THR 39 4.476 -2.948 -2.203
263 HG1 THR 39 HG1 THR 39 2.479 -1.062 -3.001
264 1HG2 THR 39 HG21 THR 39 2.849 -3.434 -0.406
265 2HG2 THR 39 HG22 THR 39 2.213 -3.751 -2.018
266 3HG2 THR 39 HG23 THR 39 1.734 -2.292 -1.153
267 HA PRO 40 HA PRO 40 8.018 0.278 -2.051
268 1HB PRO 40 HB2 PRO 40 9.735 -0.102 0.051
269 2HB PRO 40 HB1 PRO 40 8.677 1.279 -0.122
270 1HG PRO 40 HG2 PRO 40 8.514 -0.875 1.802
271 2HG PRO 40 HG1 PRO 40 7.616 0.644 1.753
272 1HD PRO 40 HD2 PRO 40 6.807 -2.005 0.888
273 2HD PRO 40 HD1 PRO 40 5.803 -0.599 1.188
274 H ALA 41 HN ALA 41 9.201 -2.142 0.221
275 HA ALA 41 HA ALA 41 9.448 -4.330 -1.506
276 1HB ALA 41 HB1 ALA 41 11.909 -2.604 -1.260
277 2HB ALA 41 HB2 ALA 41 11.001 -2.925 -2.735
278 3HB ALA 41 HB3 ALA 41 11.872 -4.232 -1.940
279 H ASP 42 HN ASP 42 8.724 -3.765 1.220
280 HA ASP 42 HA ASP 42 10.742 -5.381 2.641
281 1HB ASP 42 HB2 ASP 42 11.016 -2.980 3.238
282 2HB ASP 42 HB1 ASP 42 9.344 -2.944 3.787