Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
591492 | 2mun RC | 25223 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 1.807 -0.001 0.855
2 HA ALA 1 HA ALA 1 1.435 -0.319 -2.038
3 HB1 ALA 1 HB1 ALA 1 2.073 1.765 -2.447
4 HB2 ALA 1 HB2 ALA 1 2.363 2.059 -0.732
5 HB3 ALA 1 HB3 ALA 1 3.644 1.385 -1.741
6 H ASP 2 H ASP 2 3.674 -0.685 -3.098
7 HA ASP 2 HA ASP 2 4.936 -2.848 -1.627
8 HB2 ASP 2 HB2 ASP 2 5.625 -1.914 -4.412
9 HB3 ASP 2 HB3 ASP 2 5.917 -3.497 -3.696
10 H ASN 3 H ASN 3 7.387 -3.045 -1.883
11 HA ASN 3 HA ASN 3 8.564 -0.687 -0.722
12 HB2 ASN 3 HB2 ASN 3 9.006 -3.241 -0.205
13 HB3 ASN 3 HB3 ASN 3 10.194 -3.071 -1.494
14 HD21 ASN 3 HD21 ASN 3 11.161 -3.734 0.863
15 HD22 ASN 3 HD22 ASN 3 11.949 -2.403 1.632
16 H LYS 4 H LYS 4 8.541 0.831 -2.402
17 HA LYS 4 HA LYS 4 9.422 0.499 -5.001
18 HB2 LYS 4 HB2 LYS 4 9.806 2.964 -3.292
19 HB3 LYS 4 HB3 LYS 4 9.784 2.908 -5.050
20 HG2 LYS 4 HG2 LYS 4 7.465 2.234 -3.250
21 HG3 LYS 4 HG3 LYS 4 7.683 3.748 -4.130
22 HD2 LYS 4 HD2 LYS 4 6.394 2.699 -5.666
23 HD3 LYS 4 HD3 LYS 4 7.941 2.005 -6.158
24 HE2 LYS 4 HE2 LYS 4 7.136 -0.022 -5.746
25 HE3 LYS 4 HE3 LYS 4 6.952 0.413 -4.048
26 HZ1 LYS 4 HZ1 LYS 4 4.941 -0.191 -5.817
27 HZ2 LYS 4 HZ2 LYS 4 4.842 1.486 -5.625
28 HZ3 LYS 4 HZ3 LYS 4 4.759 0.474 -4.272
29 H CYS 5 H CYS 5 11.306 1.239 -2.099
30 HA CYS 5 HA CYS 5 13.772 1.747 -3.261
31 HB2 CYS 5 HB2 CYS 5 13.273 0.283 -0.661
32 HB3 CYS 5 HB3 CYS 5 14.754 1.118 -1.119
33 H GLU 6 H GLU 6 12.177 -1.313 -2.613
34 HA GLU 6 HA GLU 6 14.288 -3.079 -2.918
35 HB2 GLU 6 HB2 GLU 6 11.970 -3.693 -2.245
36 HB3 GLU 6 HB3 GLU 6 11.466 -3.492 -3.917
37 HG2 GLU 6 HG2 GLU 6 13.140 -5.250 -4.534
38 HG3 GLU 6 HG3 GLU 6 13.371 -5.534 -2.810
39 H ASN 7 H ASN 7 12.581 -1.221 -5.315
40 HA ASN 7 HA ASN 7 13.903 -2.656 -7.495
41 HB2 ASN 7 HB2 ASN 7 11.642 -0.681 -7.364
42 HB3 ASN 7 HB3 ASN 7 12.483 -0.974 -8.884
43 HD21 ASN 7 HD21 ASN 7 10.872 -1.975 -9.964
44 HD22 ASN 7 HD22 ASN 7 10.194 -3.495 -9.501
45 H SER 8 H SER 8 13.929 0.391 -5.803
46 HA SER 8 HA SER 8 16.010 1.385 -7.633
47 HB2 SER 8 HB2 SER 8 14.346 3.023 -7.632
48 HB3 SER 8 HB3 SER 8 13.974 2.784 -5.925
49 HG SER 8 HG SER 8 15.814 4.425 -7.098
50 H LEU 9 H LEU 9 17.977 0.961 -6.883
51 HA LEU 9 HA LEU 9 18.593 0.387 -4.196
52 HB2 LEU 9 HB2 LEU 9 20.841 0.259 -4.873
53 HB3 LEU 9 HB3 LEU 9 19.887 -0.296 -6.247
54 HG LEU 9 HG LEU 9 20.165 2.257 -6.961
55 HD11 LEU 9 HD11 LEU 9 22.741 2.605 -6.401
56 HD12 LEU 9 HD12 LEU 9 22.265 1.751 -4.934
57 HD13 LEU 9 HD13 LEU 9 21.455 3.252 -5.382
58 HD21 LEU 9 HD21 LEU 9 21.721 1.531 -8.522
59 HD22 LEU 9 HD22 LEU 9 20.901 0.038 -8.061
60 HD23 LEU 9 HD23 LEU 9 22.488 0.417 -7.391
61 H ARG 10 H ARG 10 18.733 3.351 -6.080
62 HA ARG 10 HA ARG 10 20.208 4.906 -4.256
63 HB2 ARG 10 HB2 ARG 10 18.422 5.448 -6.566
64 HB3 ARG 10 HB3 ARG 10 18.706 6.778 -5.452
65 HG2 ARG 10 HG2 ARG 10 21.198 6.224 -5.759
66 HG3 ARG 10 HG3 ARG 10 20.665 5.319 -7.177
67 HD2 ARG 10 HD2 ARG 10 19.921 7.223 -8.270
68 HD3 ARG 10 HD3 ARG 10 19.770 8.143 -6.774
69 HE ARG 10 HE ARG 10 21.943 8.795 -7.017
70 HH11 ARG 10 HH11 ARG 10 21.399 5.967 -8.973
71 HH12 ARG 10 HH12 ARG 10 22.964 6.018 -9.714
72 HH21 ARG 10 HH21 ARG 10 24.007 8.872 -7.985
73 HH22 ARG 10 HH22 ARG 10 24.447 7.670 -9.150
74 H ARG 11 H ARG 11 16.715 4.422 -4.649
75 HA ARG 11 HA ARG 11 15.885 6.231 -2.668
76 HB2 ARG 11 HB2 ARG 11 14.460 5.091 -4.442
77 HB3 ARG 11 HB3 ARG 11 14.447 3.681 -3.391
78 HG2 ARG 11 HG2 ARG 11 12.468 4.746 -2.858
79 HG3 ARG 11 HG3 ARG 11 13.565 5.309 -1.596
80 HD2 ARG 11 HD2 ARG 11 13.812 7.416 -2.598
81 HD3 ARG 11 HD3 ARG 11 13.154 6.855 -4.134
82 HE ARG 11 HE ARG 11 11.272 6.682 -1.982
83 HH11 ARG 11 HH11 ARG 11 12.674 8.801 -4.362
84 HH12 ARG 11 HH12 ARG 11 11.310 9.868 -4.406
85 HH21 ARG 11 HH21 ARG 11 9.470 8.079 -2.031
86 HH22 ARG 11 HH22 ARG 11 9.488 9.457 -3.079
87 H GLU 12 H GLU 12 16.951 2.895 -2.500
88 HA GLU 12 HA GLU 12 16.129 2.454 0.194
89 HB2 GLU 12 HB2 GLU 12 16.744 0.739 -1.676
90 HB3 GLU 12 HB3 GLU 12 18.388 0.962 -1.095
91 HG2 GLU 12 HG2 GLU 12 17.305 0.474 1.236
92 HG3 GLU 12 HG3 GLU 12 16.050 -0.285 0.258
93 H ILE 13 H ILE 13 19.231 3.284 -1.321
94 HA ILE 13 HA ILE 13 20.724 3.352 1.077
95 HB ILE 13 HB ILE 13 21.247 4.811 -1.516
96 HG12 ILE 13 HG12 ILE 13 22.538 2.254 -0.586
97 HG13 ILE 13 HG13 ILE 13 21.041 2.242 -1.511
98 HG21 ILE 13 HG21 ILE 13 23.611 4.798 -0.719
99 HG22 ILE 13 HG22 ILE 13 22.532 5.817 0.232
100 HG23 ILE 13 HG23 ILE 13 23.025 4.240 0.848
101 HD11 ILE 13 HD11 ILE 13 23.667 3.408 -2.401
102 HD12 ILE 13 HD12 ILE 13 22.947 1.896 -2.955
103 HD13 ILE 13 HD13 ILE 13 22.166 3.433 -3.326
104 H ALA 14 H ALA 14 18.773 5.736 -0.595
105 HA ALA 14 HA ALA 14 19.673 7.994 0.880
106 HB1 ALA 14 HB1 ALA 14 18.641 8.818 -0.934
107 HB2 ALA 14 HB2 ALA 14 17.575 7.420 -1.087
108 HB3 ALA 14 HB3 ALA 14 17.184 8.706 0.055
109 H CYS 15 H CYS 15 16.737 5.987 1.124
110 HA CYS 15 HA CYS 15 15.622 7.270 3.342
111 HB2 CYS 15 HB2 CYS 15 15.298 4.617 2.041
112 HB3 CYS 15 HB3 CYS 15 14.681 4.782 3.682
113 H GLY 16 H GLY 16 17.973 4.648 3.129
114 HA2 GLY 16 HA2 GLY 16 18.032 3.793 5.761
115 HA3 GLY 16 HA3 GLY 16 19.428 3.805 4.694
116 H GLN 17 H GLN 17 19.707 6.566 4.323
117 HA GLN 17 HA GLN 17 21.161 7.253 6.652
118 HB2 GLN 17 HB2 GLN 17 20.346 8.918 4.267
119 HB3 GLN 17 HB3 GLN 17 21.458 9.460 5.517
120 HG2 GLN 17 HG2 GLN 17 22.801 7.343 4.927
121 HG3 GLN 17 HG3 GLN 17 21.838 7.334 3.451
122 HE21 GLN 17 HE21 GLN 17 23.658 7.700 2.180
123 HE22 GLN 17 HE22 GLN 17 24.430 9.244 2.108
124 H CYS 18 H CYS 18 18.240 8.714 5.217
125 HA CYS 18 HA CYS 18 17.726 10.550 7.247
126 HB2 CYS 18 HB2 CYS 18 16.108 9.260 5.110
127 HB3 CYS 18 HB3 CYS 18 15.232 10.067 6.406
128 H ARG 19 H ARG 19 17.022 7.133 7.039
129 HA ARG 19 HA ARG 19 15.102 6.892 9.044
130 HB2 ARG 19 HB2 ARG 19 15.573 5.011 7.649
131 HB3 ARG 19 HB3 ARG 19 17.265 4.999 8.130
132 HG2 ARG 19 HG2 ARG 19 16.589 4.379 10.413
133 HG3 ARG 19 HG3 ARG 19 14.908 4.329 9.879
134 HD2 ARG 19 HD2 ARG 19 15.179 2.375 8.765
135 HD3 ARG 19 HD3 ARG 19 16.837 2.750 8.296
136 HE ARG 19 HE ARG 19 15.991 1.277 10.595
137 HH11 ARG 19 HH11 ARG 19 18.479 3.361 9.336
138 HH12 ARG 19 HH12 ARG 19 19.705 2.759 10.402
139 HH21 ARG 19 HH21 ARG 19 17.595 0.477 12.005
140 HH22 ARG 19 HH22 ARG 19 19.201 1.118 11.920
141 H ASP 20 H ASP 20 18.606 7.127 9.251
142 HA ASP 20 HA ASP 20 18.642 6.653 12.099
143 HB2 ASP 20 HB2 ASP 20 20.517 6.000 10.558
144 HB3 ASP 20 HB3 ASP 20 20.871 7.714 10.355
145 H LYS 21 H LYS 21 19.200 9.430 9.951
146 HA LYS 21 HA LYS 21 19.724 11.335 11.924
147 HB2 LYS 21 HB2 LYS 21 18.375 11.739 9.247
148 HB3 LYS 21 HB3 LYS 21 19.096 13.007 10.230
149 HG2 LYS 21 HG2 LYS 21 20.677 10.663 9.220
150 HG3 LYS 21 HG3 LYS 21 20.467 12.146 8.286
151 HD2 LYS 21 HD2 LYS 21 21.651 13.431 9.836
152 HD3 LYS 21 HD3 LYS 21 21.468 12.225 11.112
153 HE2 LYS 21 HE2 LYS 21 22.834 10.735 9.415
154 HE3 LYS 21 HE3 LYS 21 23.369 12.306 8.822
155 HZ1 LYS 21 HZ1 LYS 21 24.919 11.661 10.442
156 HZ2 LYS 21 HZ2 LYS 21 23.723 11.166 11.531
157 HZ3 LYS 21 HZ3 LYS 21 23.944 12.812 11.208
158 H VAL 22 H VAL 22 16.644 10.843 10.185
159 HA VAL 22 HA VAL 22 15.076 12.545 11.706
160 HB VAL 22 HB VAL 22 14.160 9.940 10.481
161 HG11 VAL 22 HG11 VAL 22 12.793 12.188 11.767
162 HG12 VAL 22 HG12 VAL 22 12.132 11.739 10.194
163 HG13 VAL 22 HG13 VAL 22 12.243 10.538 11.481
164 HG21 VAL 22 HG21 VAL 22 13.558 12.214 8.875
165 HG22 VAL 22 HG22 VAL 22 15.285 12.217 9.231
166 HG23 VAL 22 HG23 VAL 22 14.544 10.808 8.473
167 H LYS 23 H LYS 23 16.247 9.359 12.451
168 HA LYS 23 HA LYS 23 16.085 8.036 14.294
169 HB2 LYS 23 HB2 LYS 23 15.547 10.754 15.469
170 HB3 LYS 23 HB3 LYS 23 15.572 9.309 16.472
171 HG2 LYS 23 HG2 LYS 23 17.852 10.248 14.744
172 HG3 LYS 23 HG3 LYS 23 17.710 10.523 16.482
173 HD2 LYS 23 HD2 LYS 23 17.535 7.998 16.714
174 HD3 LYS 23 HD3 LYS 23 18.051 7.910 15.028
175 HE2 LYS 23 HE2 LYS 23 20.090 9.148 15.601
176 HE3 LYS 23 HE3 LYS 23 19.573 9.212 17.285
177 HZ1 LYS 23 HZ1 LYS 23 19.821 6.903 17.510
178 HZ2 LYS 23 HZ2 LYS 23 21.205 7.410 16.681
179 HZ3 LYS 23 HZ3 LYS 23 19.945 6.655 15.841
180 H THR 24 H THR 24 13.953 7.711 12.744
181 HA THR 24 HA THR 24 11.754 7.433 14.674
182 HB THR 24 HB THR 24 11.441 8.348 11.807
183 HG1 THR 24 HG1 THR 24 10.961 9.650 14.299
184 HG21 THR 24 HG21 THR 24 9.513 7.148 12.068
185 HG22 THR 24 HG22 THR 24 9.003 8.659 12.821
186 HG23 THR 24 HG23 THR 24 9.523 7.305 13.824
187 H ASP 25 H ASP 25 11.358 5.342 14.917
188 HA ASP 25 HA ASP 25 12.293 3.328 13.189
189 HB2 ASP 25 HB2 ASP 25 10.014 3.012 15.141
190 HB3 ASP 25 HB3 ASP 25 11.152 1.782 14.598
191 H GLY 26 H GLY 26 11.480 2.466 11.386
192 HA2 GLY 26 HA2 GLY 26 9.754 1.655 9.990
193 HA3 GLY 26 HA3 GLY 26 8.612 2.680 10.846
194 H TYR 27 H TYR 27 10.801 4.862 10.508
195 HA TYR 27 HA TYR 27 9.608 6.299 8.477
196 HB2 TYR 27 HB2 TYR 27 11.212 7.182 10.199
197 HB3 TYR 27 HB3 TYR 27 12.525 6.505 9.243
198 HD1 TYR 27 HD1 TYR 27 9.876 9.064 9.317
199 HD2 TYR 27 HD2 TYR 27 13.274 7.574 7.236
200 HE1 TYR 27 HE1 TYR 27 9.944 11.120 7.969
201 HE2 TYR 27 HE2 TYR 27 13.353 9.627 5.883
202 HH TYR 27 HH TYR 27 10.897 11.707 5.555
203 H PHE 28 H PHE 28 12.447 4.182 8.296
204 HA PHE 28 HA PHE 28 13.169 4.640 5.655
205 HB2 PHE 28 HB2 PHE 28 14.613 3.354 7.072
206 HB3 PHE 28 HB3 PHE 28 13.369 2.137 7.333
207 HD1 PHE 28 HD1 PHE 28 15.877 3.430 5.014
208 HD2 PHE 28 HD2 PHE 28 12.879 0.475 5.648
209 HE1 PHE 28 HE1 PHE 28 16.755 2.136 3.114
210 HE2 PHE 28 HE2 PHE 28 13.753 -0.823 3.750
211 HZ PHE 28 HZ PHE 28 15.694 0.006 2.480
212 H TYR 29 H TYR 29 10.834 2.318 6.968
213 HA TYR 29 HA TYR 29 10.144 1.255 4.402
214 HB2 TYR 29 HB2 TYR 29 9.872 -0.157 6.329
215 HB3 TYR 29 HB3 TYR 29 8.829 1.025 7.113
216 HD1 TYR 29 HD1 TYR 29 9.031 -1.263 4.193
217 HD2 TYR 29 HD2 TYR 29 6.506 0.965 6.794
218 HE1 TYR 29 HE1 TYR 29 7.061 -2.359 3.210
219 HE2 TYR 29 HE2 TYR 29 4.529 -0.126 5.819
220 HH TYR 29 HH TYR 29 4.128 -2.441 4.582
221 H GLU 30 H GLU 30 9.111 3.939 6.313
222 HA GLU 30 HA GLU 30 6.554 4.278 5.077
223 HB2 GLU 30 HB2 GLU 30 6.936 5.189 7.283
224 HB3 GLU 30 HB3 GLU 30 8.272 6.167 6.692
225 HG2 GLU 30 HG2 GLU 30 6.735 7.473 5.332
226 HG3 GLU 30 HG3 GLU 30 5.388 6.478 5.885
227 H CYS 31 H CYS 31 9.643 6.035 4.793
228 HA CYS 31 HA CYS 31 8.834 7.710 2.684
229 HB2 CYS 31 HB2 CYS 31 11.260 8.091 2.333
230 HB3 CYS 31 HB3 CYS 31 10.788 8.236 4.023
231 H CYS 32 H CYS 32 9.974 4.429 2.750
232 HA CYS 32 HA CYS 32 10.775 4.202 0.051
233 HB2 CYS 32 HB2 CYS 32 10.077 2.309 2.238
234 HB3 CYS 32 HB3 CYS 32 10.062 1.684 0.592
235 H THR 33 H THR 33 7.681 4.262 1.580
236 HA THR 33 HA THR 33 6.413 3.695 -1.019
237 HB THR 33 HB THR 33 4.545 2.638 0.072
238 HG1 THR 33 HG1 THR 33 5.786 2.729 2.591
239 HG21 THR 33 HG21 THR 33 6.946 1.476 -0.195
240 HG22 THR 33 HG22 THR 33 5.538 0.626 0.442
241 HG23 THR 33 HG23 THR 33 6.737 1.299 1.546
242 H SER 34 H SER 34 7.222 6.198 0.521
243 HA SER 34 HA SER 34 4.624 7.546 0.258
244 HB2 SER 34 HB2 SER 34 6.616 7.980 2.496
245 HB3 SER 34 HB3 SER 34 5.176 8.959 2.219
246 HG SER 34 HG SER 34 5.339 6.755 3.618
247 H ASP 35 H ASP 35 4.942 8.712 -1.538
248 HA ASP 35 HA ASP 35 7.429 9.776 -2.357
249 HB2 ASP 35 HB2 ASP 35 4.587 10.143 -3.224
250 HB3 ASP 35 HB3 ASP 35 5.822 11.236 -3.840
251 H SER 36 H SER 36 4.741 11.095 -0.518
252 HA SER 36 HA SER 36 5.642 13.792 -0.549
253 HB2 SER 36 HB2 SER 36 3.661 12.267 1.125
254 HB3 SER 36 HB3 SER 36 4.074 13.937 1.510
255 HG SER 36 HG SER 36 3.502 14.400 -0.735
256 H THR 37 H THR 37 5.964 11.136 1.776
257 HA THR 37 HA THR 37 7.269 12.540 3.809
258 HB THR 37 HB THR 37 7.704 9.639 3.078
259 HG1 THR 37 HG1 THR 37 5.963 9.270 4.526
260 HG21 THR 37 HG21 THR 37 8.783 11.294 5.134
261 HG22 THR 37 HG22 THR 37 9.036 9.570 4.861
262 HG23 THR 37 HG23 THR 37 7.699 10.117 5.872
263 H PHE 38 H PHE 38 8.440 11.301 0.779
264 HA PHE 38 HA PHE 38 11.205 11.302 1.399
265 HB2 PHE 38 HB2 PHE 38 9.988 10.193 -0.590
266 HB3 PHE 38 HB3 PHE 38 10.101 11.772 -1.360
267 HD1 PHE 38 HD1 PHE 38 12.284 9.338 0.438
268 HD2 PHE 38 HD2 PHE 38 11.905 12.171 -2.717
269 HE1 PHE 38 HE1 PHE 38 14.565 8.803 -0.312
270 HE2 PHE 38 HE2 PHE 38 14.185 11.640 -3.472
271 HZ PHE 38 HZ PHE 38 15.519 9.954 -2.270
272 H LYS 39 H LYS 39 8.972 13.758 0.302
273 HA LYS 39 HA LYS 39 10.681 15.695 -0.670
274 HB2 LYS 39 HB2 LYS 39 8.168 16.026 0.976
275 HB3 LYS 39 HB3 LYS 39 8.973 17.345 0.136
276 HG2 LYS 39 HG2 LYS 39 8.703 15.700 -1.924
277 HG3 LYS 39 HG3 LYS 39 7.361 15.104 -0.943
278 HD2 LYS 39 HD2 LYS 39 6.314 16.750 -2.160
279 HD3 LYS 39 HD3 LYS 39 6.795 17.656 -0.724
280 HE2 LYS 39 HE2 LYS 39 8.680 17.519 -3.024
281 HE3 LYS 39 HE3 LYS 39 7.270 18.569 -3.153
282 HZ1 LYS 39 HZ1 LYS 39 8.356 19.052 -0.662
283 HZ2 LYS 39 HZ2 LYS 39 8.407 20.069 -2.012
284 HZ3 LYS 39 HZ3 LYS 39 9.675 18.989 -1.720
285 H LYS 40 H LYS 40 9.599 15.304 2.705
286 HA LYS 40 HA LYS 40 11.155 17.359 3.794
287 HB2 LYS 40 HB2 LYS 40 10.043 14.825 4.992
288 HB3 LYS 40 HB3 LYS 40 10.913 16.017 5.949
289 HG2 LYS 40 HG2 LYS 40 8.728 16.632 6.297
290 HG3 LYS 40 HG3 LYS 40 9.188 17.687 4.960
291 HD2 LYS 40 HD2 LYS 40 7.996 16.427 3.399
292 HD3 LYS 40 HD3 LYS 40 7.932 15.012 4.452
293 HE2 LYS 40 HE2 LYS 40 6.282 15.968 5.818
294 HE3 LYS 40 HE3 LYS 40 6.580 17.589 5.191
295 HZ1 LYS 40 HZ1 LYS 40 5.099 15.368 3.958
296 HZ2 LYS 40 HZ2 LYS 40 5.824 16.531 2.968
297 HZ3 LYS 40 HZ3 LYS 40 4.662 16.995 4.106
298 H CYS 41 H CYS 41 11.827 13.866 3.608
299 HA CYS 41 HA CYS 41 14.328 13.880 4.820
300 HB2 CYS 41 HB2 CYS 41 13.220 11.795 4.374
301 HB3 CYS 41 HB3 CYS 41 13.221 12.103 2.641
302 H GLN 42 H GLN 42 13.403 14.670 1.530
303 HA GLN 42 HA GLN 42 15.995 14.688 0.408
304 HB2 GLN 42 HB2 GLN 42 13.345 15.827 -0.361
305 HB3 GLN 42 HB3 GLN 42 14.779 16.392 -1.206
306 HG2 GLN 42 HG2 GLN 42 15.265 13.852 -1.505
307 HG3 GLN 42 HG3 GLN 42 13.540 13.682 -1.181
308 HE21 GLN 42 HE21 GLN 42 12.050 14.611 -2.623
309 HE22 GLN 42 HE22 GLN 42 12.494 15.005 -4.245
310 H ASP 43 H ASP 43 14.136 17.073 2.175
311 HA ASP 43 HA ASP 43 15.829 19.287 1.589
312 HB2 ASP 43 HB2 ASP 43 13.416 19.353 2.437
313 HB3 ASP 43 HB3 ASP 43 14.083 19.023 4.033
314 H LEU 44 H LEU 44 15.635 16.980 4.265
315 HA LEU 44 HA LEU 44 17.561 18.158 5.926
316 HB2 LEU 44 HB2 LEU 44 17.028 15.207 5.663
317 HB3 LEU 44 HB3 LEU 44 17.662 16.062 7.068
318 HG LEU 44 HG LEU 44 14.850 16.182 5.984
319 HD11 LEU 44 HD11 LEU 44 15.712 15.322 8.721
320 HD12 LEU 44 HD12 LEU 44 15.688 14.187 7.372
321 HD13 LEU 44 HD13 LEU 44 14.201 14.991 7.873
322 HD21 LEU 44 HD21 LEU 44 16.323 17.927 7.875
323 HD22 LEU 44 HD22 LEU 44 14.670 17.480 8.299
324 HD23 LEU 44 HD23 LEU 44 14.998 18.307 6.775
325 H LEU 45 H LEU 45 17.911 15.530 3.546
326 HA LEU 45 HA LEU 45 20.691 15.227 3.838
327 HB2 LEU 45 HB2 LEU 45 18.915 14.646 1.474
328 HB3 LEU 45 HB3 LEU 45 20.585 14.105 1.633
329 HG LEU 45 HG LEU 45 18.277 13.275 3.392
330 HD11 LEU 45 HD11 LEU 45 18.747 11.040 2.353
331 HD12 LEU 45 HD12 LEU 45 19.763 11.878 1.180
332 HD13 LEU 45 HD13 LEU 45 18.039 12.239 1.270
333 HD21 LEU 45 HD21 LEU 45 20.235 11.513 3.909
334 HD22 LEU 45 HD22 LEU 45 19.965 12.973 4.861
335 HD23 LEU 45 HD23 LEU 45 21.203 12.955 3.604
336 H HIS 46 H HIS 46 18.776 17.530 2.098
337 HA HIS 46 HA HIS 46 20.846 18.400 0.324
338 HB2 HIS 46 HB2 HIS 46 18.116 19.365 1.057
339 HB3 HIS 46 HB3 HIS 46 19.209 20.478 0.240
340 HD1 HIS 46 HD1 HIS 46 17.092 20.141 -1.548
341 HD2 HIS 46 HD2 HIS 46 19.880 17.081 -1.192
342 HE1 HIS 46 HE1 HIS 46 16.852 18.765 -3.640
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 -0.461 -0.740 -1.138
2 HA ALA 1 HA ALA 1 1.569 1.069 -2.125
3 HB1 ALA 1 HB1 ALA 1 1.554 1.750 -0.016
4 HB2 ALA 1 HB2 ALA 1 0.441 0.448 0.407
5 HB3 ALA 1 HB3 ALA 1 2.182 0.183 0.497
6 H ASP 2 H ASP 2 3.240 0.290 -3.227
7 HA ASP 2 HA ASP 2 4.357 -2.319 -2.440
8 HB2 ASP 2 HB2 ASP 2 4.773 -0.916 -5.082
9 HB3 ASP 2 HB3 ASP 2 5.148 -2.590 -4.681
10 H ASN 3 H ASN 3 6.630 -2.566 -2.344
11 HA ASN 3 HA ASN 3 7.984 -0.259 -1.310
12 HB2 ASN 3 HB2 ASN 3 8.568 -3.164 -1.556
13 HB3 ASN 3 HB3 ASN 3 9.949 -2.079 -1.419
14 HD21 ASN 3 HD21 ASN 3 7.937 -3.962 0.296
15 HD22 ASN 3 HD22 ASN 3 8.015 -3.175 1.832
16 H LYS 4 H LYS 4 8.916 1.223 -2.542
17 HA LYS 4 HA LYS 4 9.628 0.661 -5.284
18 HB2 LYS 4 HB2 LYS 4 10.055 3.197 -3.695
19 HB3 LYS 4 HB3 LYS 4 10.124 3.030 -5.444
20 HG2 LYS 4 HG2 LYS 4 7.667 2.594 -3.758
21 HG3 LYS 4 HG3 LYS 4 8.035 4.060 -4.670
22 HD2 LYS 4 HD2 LYS 4 7.861 1.347 -5.960
23 HD3 LYS 4 HD3 LYS 4 6.459 2.401 -5.772
24 HE2 LYS 4 HE2 LYS 4 7.704 4.171 -6.999
25 HE3 LYS 4 HE3 LYS 4 8.997 3.006 -7.284
26 HZ1 LYS 4 HZ1 LYS 4 7.084 1.589 -8.264
27 HZ2 LYS 4 HZ2 LYS 4 7.758 2.831 -9.193
28 HZ3 LYS 4 HZ3 LYS 4 6.279 3.070 -8.406
29 H CYS 5 H CYS 5 11.322 1.535 -2.294
30 HA CYS 5 HA CYS 5 13.904 1.735 -3.325
31 HB2 CYS 5 HB2 CYS 5 14.655 1.220 -1.003
32 HB3 CYS 5 HB3 CYS 5 13.416 2.468 -1.078
33 H GLU 6 H GLU 6 11.945 -1.049 -2.677
34 HA GLU 6 HA GLU 6 13.875 -3.033 -2.393
35 HB2 GLU 6 HB2 GLU 6 11.055 -2.962 -3.337
36 HB3 GLU 6 HB3 GLU 6 11.990 -4.406 -3.698
37 HG2 GLU 6 HG2 GLU 6 11.513 -3.240 -0.965
38 HG3 GLU 6 HG3 GLU 6 10.735 -4.670 -1.642
39 H ASN 7 H ASN 7 12.868 -1.266 -5.203
40 HA ASN 7 HA ASN 7 14.523 -3.005 -6.907
41 HB2 ASN 7 HB2 ASN 7 12.307 -2.906 -7.782
42 HB3 ASN 7 HB3 ASN 7 12.229 -1.159 -7.572
43 HD21 ASN 7 HD21 ASN 7 13.968 -3.694 -9.310
44 HD22 ASN 7 HD22 ASN 7 14.262 -2.761 -10.734
45 H SER 8 H SER 8 14.034 0.249 -5.757
46 HA SER 8 HA SER 8 16.154 1.280 -7.483
47 HB2 SER 8 HB2 SER 8 14.182 2.602 -5.621
48 HB3 SER 8 HB3 SER 8 15.531 3.483 -6.338
49 HG SER 8 HG SER 8 14.700 2.833 -8.403
50 H LEU 9 H LEU 9 18.181 1.154 -6.813
51 HA LEU 9 HA LEU 9 18.905 0.521 -4.143
52 HB2 LEU 9 HB2 LEU 9 21.133 0.548 -4.885
53 HB3 LEU 9 HB3 LEU 9 20.181 -0.043 -6.246
54 HG LEU 9 HG LEU 9 20.276 2.538 -6.910
55 HD11 LEU 9 HD11 LEU 9 22.703 3.227 -6.444
56 HD12 LEU 9 HD12 LEU 9 22.629 2.072 -5.114
57 HD13 LEU 9 HD13 LEU 9 21.516 3.439 -5.157
58 HD21 LEU 9 HD21 LEU 9 20.966 0.848 -8.413
59 HD22 LEU 9 HD22 LEU 9 22.335 0.398 -7.396
60 HD23 LEU 9 HD23 LEU 9 22.337 1.945 -8.245
61 H ARG 10 H ARG 10 18.780 3.508 -5.992
62 HA ARG 10 HA ARG 10 20.172 5.121 -4.124
63 HB2 ARG 10 HB2 ARG 10 18.452 5.592 -6.500
64 HB3 ARG 10 HB3 ARG 10 18.639 6.929 -5.373
65 HG2 ARG 10 HG2 ARG 10 21.152 6.526 -5.588
66 HG3 ARG 10 HG3 ARG 10 20.741 5.539 -6.993
67 HD2 ARG 10 HD2 ARG 10 19.504 7.510 -7.910
68 HD3 ARG 10 HD3 ARG 10 20.149 8.464 -6.574
69 HE ARG 10 HE ARG 10 22.158 8.557 -7.663
70 HH11 ARG 10 HH11 ARG 10 20.228 6.018 -9.058
71 HH12 ARG 10 HH12 ARG 10 21.330 5.719 -10.361
72 HH21 ARG 10 HH21 ARG 10 23.616 8.173 -9.374
73 HH22 ARG 10 HH22 ARG 10 23.257 6.944 -10.540
74 H ARG 11 H ARG 11 16.727 4.463 -4.646
75 HA ARG 11 HA ARG 11 15.730 6.232 -2.707
76 HB2 ARG 11 HB2 ARG 11 14.331 5.188 -4.443
77 HB3 ARG 11 HB3 ARG 11 14.545 3.622 -3.670
78 HG2 ARG 11 HG2 ARG 11 12.445 4.337 -2.964
79 HG3 ARG 11 HG3 ARG 11 13.505 4.701 -1.602
80 HD2 ARG 11 HD2 ARG 11 12.392 6.684 -1.744
81 HD3 ARG 11 HD3 ARG 11 13.717 7.019 -2.858
82 HE ARG 11 HE ARG 11 12.210 7.077 -4.579
83 HH11 ARG 11 HH11 ARG 11 10.724 5.578 -1.810
84 HH12 ARG 11 HH12 ARG 11 9.144 5.534 -2.518
85 HH21 ARG 11 HH21 ARG 11 10.133 7.024 -5.522
86 HH22 ARG 11 HH22 ARG 11 8.809 6.356 -4.630
87 H GLU 12 H GLU 12 16.873 2.909 -2.490
88 HA GLU 12 HA GLU 12 16.019 2.495 0.198
89 HB2 GLU 12 HB2 GLU 12 16.643 0.749 -1.618
90 HB3 GLU 12 HB3 GLU 12 18.296 1.013 -1.080
91 HG2 GLU 12 HG2 GLU 12 17.233 0.569 1.288
92 HG3 GLU 12 HG3 GLU 12 16.024 -0.280 0.325
93 H ILE 13 H ILE 13 19.190 3.193 -1.260
94 HA ILE 13 HA ILE 13 20.617 3.355 1.157
95 HB ILE 13 HB ILE 13 21.201 4.736 -1.466
96 HG12 ILE 13 HG12 ILE 13 22.518 2.234 -0.448
97 HG13 ILE 13 HG13 ILE 13 20.994 2.148 -1.325
98 HG21 ILE 13 HG21 ILE 13 23.596 4.236 -0.206
99 HG22 ILE 13 HG22 ILE 13 22.778 5.795 -0.295
100 HG23 ILE 13 HG23 ILE 13 22.548 4.759 1.113
101 HD11 ILE 13 HD11 ILE 13 23.706 2.744 -2.291
102 HD12 ILE 13 HD12 ILE 13 22.361 1.933 -3.093
103 HD13 ILE 13 HD13 ILE 13 22.403 3.693 -3.004
104 H ALA 14 H ALA 14 18.699 5.699 -0.600
105 HA ALA 14 HA ALA 14 19.591 7.996 0.819
106 HB1 ALA 14 HB1 ALA 14 18.566 8.275 -1.328
107 HB2 ALA 14 HB2 ALA 14 17.084 7.492 -0.776
108 HB3 ALA 14 HB3 ALA 14 17.548 9.063 -0.121
109 H CYS 15 H CYS 15 16.891 5.751 1.239
110 HA CYS 15 HA CYS 15 15.654 7.171 3.361
111 HB2 CYS 15 HB2 CYS 15 15.388 4.481 2.134
112 HB3 CYS 15 HB3 CYS 15 14.791 4.658 3.780
113 H GLY 16 H GLY 16 18.069 4.600 3.231
114 HA2 GLY 16 HA2 GLY 16 18.149 3.845 5.895
115 HA3 GLY 16 HA3 GLY 16 19.539 3.837 4.820
116 H GLN 17 H GLN 17 19.787 6.577 4.338
117 HA GLN 17 HA GLN 17 21.244 7.382 6.621
118 HB2 GLN 17 HB2 GLN 17 20.363 8.942 4.189
119 HB3 GLN 17 HB3 GLN 17 21.477 9.555 5.404
120 HG2 GLN 17 HG2 GLN 17 22.879 7.473 4.882
121 HG3 GLN 17 HG3 GLN 17 21.882 7.340 3.434
122 HE21 GLN 17 HE21 GLN 17 23.184 7.923 1.830
123 HE22 GLN 17 HE22 GLN 17 24.077 9.399 1.750
124 H CYS 18 H CYS 18 18.288 8.757 5.172
125 HA CYS 18 HA CYS 18 17.765 10.638 7.158
126 HB2 CYS 18 HB2 CYS 18 16.131 9.260 5.082
127 HB3 CYS 18 HB3 CYS 18 15.275 10.129 6.352
128 H ARG 19 H ARG 19 17.101 7.208 7.042
129 HA ARG 19 HA ARG 19 15.194 6.981 9.052
130 HB2 ARG 19 HB2 ARG 19 15.826 5.101 7.640
131 HB3 ARG 19 HB3 ARG 19 17.439 5.087 8.340
132 HG2 ARG 19 HG2 ARG 19 16.331 4.629 10.564
133 HG3 ARG 19 HG3 ARG 19 14.843 4.350 9.656
134 HD2 ARG 19 HD2 ARG 19 16.485 2.784 8.253
135 HD3 ARG 19 HD3 ARG 19 17.319 2.728 9.805
136 HE ARG 19 HE ARG 19 14.759 2.203 10.478
137 HH11 ARG 19 HH11 ARG 19 16.912 0.864 8.092
138 HH12 ARG 19 HH12 ARG 19 16.195 -0.712 8.140
139 HH21 ARG 19 HH21 ARG 19 13.806 0.131 10.550
140 HH22 ARG 19 HH22 ARG 19 14.428 -1.128 9.537
141 H ASP 20 H ASP 20 18.689 7.316 9.267
142 HA ASP 20 HA ASP 20 18.721 6.938 12.130
143 HB2 ASP 20 HB2 ASP 20 20.635 6.241 10.740
144 HB3 ASP 20 HB3 ASP 20 20.898 7.918 10.270
145 H LYS 21 H LYS 21 19.197 9.654 9.889
146 HA LYS 21 HA LYS 21 19.679 11.642 11.786
147 HB2 LYS 21 HB2 LYS 21 18.257 11.948 9.135
148 HB3 LYS 21 HB3 LYS 21 19.030 13.235 10.052
149 HG2 LYS 21 HG2 LYS 21 21.190 12.338 9.656
150 HG3 LYS 21 HG3 LYS 21 20.517 10.843 9.001
151 HD2 LYS 21 HD2 LYS 21 19.897 11.842 7.010
152 HD3 LYS 21 HD3 LYS 21 19.847 13.458 7.718
153 HE2 LYS 21 HE2 LYS 21 22.350 11.848 7.228
154 HE3 LYS 21 HE3 LYS 21 21.757 13.141 6.187
155 HZ1 LYS 21 HZ1 LYS 21 23.235 14.269 7.486
156 HZ2 LYS 21 HZ2 LYS 21 22.966 13.310 8.853
157 HZ3 LYS 21 HZ3 LYS 21 21.832 14.484 8.407
158 H VAL 22 H VAL 22 16.595 10.981 10.113
159 HA VAL 22 HA VAL 22 14.990 12.691 11.585
160 HB VAL 22 HB VAL 22 14.140 10.007 10.489
161 HG11 VAL 22 HG11 VAL 22 12.720 12.314 11.636
162 HG12 VAL 22 HG12 VAL 22 12.045 11.681 10.133
163 HG13 VAL 22 HG13 VAL 22 12.239 10.621 11.529
164 HG21 VAL 22 HG21 VAL 22 13.452 12.165 8.773
165 HG22 VAL 22 HG22 VAL 22 15.178 12.267 9.122
166 HG23 VAL 22 HG23 VAL 22 14.502 10.787 8.442
167 H LYS 23 H LYS 23 16.280 9.581 12.443
168 HA LYS 23 HA LYS 23 16.197 8.337 14.346
169 HB2 LYS 23 HB2 LYS 23 15.473 11.044 15.464
170 HB3 LYS 23 HB3 LYS 23 15.728 9.630 16.477
171 HG2 LYS 23 HG2 LYS 23 17.794 10.681 14.563
172 HG3 LYS 23 HG3 LYS 23 17.690 11.173 16.255
173 HD2 LYS 23 HD2 LYS 23 17.880 8.286 15.440
174 HD3 LYS 23 HD3 LYS 23 19.313 9.287 15.682
175 HE2 LYS 23 HE2 LYS 23 17.161 8.948 17.759
176 HE3 LYS 23 HE3 LYS 23 18.584 7.913 17.667
177 HZ1 LYS 23 HZ1 LYS 23 18.958 10.821 17.740
178 HZ2 LYS 23 HZ2 LYS 23 19.964 9.593 18.322
179 HZ3 LYS 23 HZ3 LYS 23 18.569 10.020 19.178
180 H THR 24 H THR 24 14.069 7.856 12.829
181 HA THR 24 HA THR 24 11.902 7.553 14.790
182 HB THR 24 HB THR 24 11.522 8.362 11.900
183 HG1 THR 24 HG1 THR 24 11.413 9.715 14.357
184 HG21 THR 24 HG21 THR 24 9.560 7.294 12.087
185 HG22 THR 24 HG22 THR 24 9.096 8.591 13.189
186 HG23 THR 24 HG23 THR 24 9.748 7.082 13.827
187 H ASP 25 H ASP 25 11.600 5.456 15.106
188 HA ASP 25 HA ASP 25 12.604 3.429 13.431
189 HB2 ASP 25 HB2 ASP 25 10.428 3.206 15.522
190 HB3 ASP 25 HB3 ASP 25 11.382 1.878 14.867
191 H GLY 26 H GLY 26 11.831 2.560 11.622
192 HA2 GLY 26 HA2 GLY 26 10.113 1.599 10.293
193 HA3 GLY 26 HA3 GLY 26 8.940 2.603 11.131
194 H TYR 27 H TYR 27 11.066 4.843 10.687
195 HA TYR 27 HA TYR 27 9.786 6.180 8.637
196 HB2 TYR 27 HB2 TYR 27 11.386 7.171 10.300
197 HB3 TYR 27 HB3 TYR 27 12.706 6.504 9.347
198 HD1 TYR 27 HD1 TYR 27 9.977 8.979 9.375
199 HD2 TYR 27 HD2 TYR 27 13.396 7.530 7.297
200 HE1 TYR 27 HE1 TYR 27 9.960 10.989 7.958
201 HE2 TYR 27 HE2 TYR 27 13.389 9.537 5.875
202 HH TYR 27 HH TYR 27 12.061 12.241 6.518
203 H PHE 28 H PHE 28 12.706 4.171 8.468
204 HA PHE 28 HA PHE 28 13.353 4.565 5.798
205 HB2 PHE 28 HB2 PHE 28 14.878 3.389 7.227
206 HB3 PHE 28 HB3 PHE 28 13.691 2.132 7.556
207 HD1 PHE 28 HD1 PHE 28 13.217 0.408 5.921
208 HD2 PHE 28 HD2 PHE 28 16.116 3.430 5.160
209 HE1 PHE 28 HE1 PHE 28 14.105 -0.920 4.049
210 HE2 PHE 28 HE2 PHE 28 17.008 2.107 3.287
211 HZ PHE 28 HZ PHE 28 16.003 -0.071 2.730
212 H TYR 29 H TYR 29 11.143 2.196 7.239
213 HA TYR 29 HA TYR 29 10.447 1.018 4.726
214 HB2 TYR 29 HB2 TYR 29 10.316 -0.221 6.865
215 HB3 TYR 29 HB3 TYR 29 9.015 0.844 7.386
216 HD1 TYR 29 HD1 TYR 29 6.798 0.696 6.350
217 HD2 TYR 29 HD2 TYR 29 9.927 -1.971 5.254
218 HE1 TYR 29 HE1 TYR 29 5.151 -0.792 5.290
219 HE2 TYR 29 HE2 TYR 29 8.289 -3.466 4.190
220 HH TYR 29 HH TYR 29 5.784 -3.935 4.450
221 H GLU 30 H GLU 30 9.340 3.720 6.569
222 HA GLU 30 HA GLU 30 6.747 3.911 5.377
223 HB2 GLU 30 HB2 GLU 30 7.304 4.901 7.582
224 HB3 GLU 30 HB3 GLU 30 8.366 6.047 6.775
225 HG2 GLU 30 HG2 GLU 30 6.212 6.633 5.418
226 HG3 GLU 30 HG3 GLU 30 5.394 5.914 6.804
227 H CYS 31 H CYS 31 9.753 5.785 4.967
228 HA CYS 31 HA CYS 31 8.832 7.350 2.821
229 HB2 CYS 31 HB2 CYS 31 11.233 7.816 2.404
230 HB3 CYS 31 HB3 CYS 31 10.790 8.002 4.098
231 H CYS 32 H CYS 32 10.109 4.123 2.972
232 HA CYS 32 HA CYS 32 10.917 3.800 0.306
233 HB2 CYS 32 HB2 CYS 32 10.179 1.999 2.544
234 HB3 CYS 32 HB3 CYS 32 10.107 1.306 0.927
235 H THR 33 H THR 33 7.784 3.950 1.745
236 HA THR 33 HA THR 33 6.581 3.409 -0.886
237 HB THR 33 HB THR 33 4.666 2.328 0.177
238 HG1 THR 33 HG1 THR 33 6.151 2.471 2.605
239 HG21 THR 33 HG21 THR 33 5.756 0.409 -0.119
240 HG22 THR 33 HG22 THR 33 6.520 0.592 1.460
241 HG23 THR 33 HG23 THR 33 7.294 1.260 0.024
242 H SER 34 H SER 34 7.303 5.855 0.784
243 HA SER 34 HA SER 34 4.685 7.162 0.522
244 HB2 SER 34 HB2 SER 34 5.095 6.728 2.918
245 HB3 SER 34 HB3 SER 34 6.622 7.605 2.808
246 HG SER 34 HG SER 34 4.186 8.813 2.058
247 H ASP 35 H ASP 35 5.058 8.360 -1.253
248 HA ASP 35 HA ASP 35 7.539 9.543 -1.916
249 HB2 ASP 35 HB2 ASP 35 4.732 9.818 -2.920
250 HB3 ASP 35 HB3 ASP 35 5.949 10.979 -3.442
251 H SER 36 H SER 36 4.806 10.622 -0.038
252 HA SER 36 HA SER 36 5.450 13.388 -0.023
253 HB2 SER 36 HB2 SER 36 3.877 13.523 1.877
254 HB3 SER 36 HB3 SER 36 3.202 12.595 0.537
255 HG SER 36 HG SER 36 3.732 11.815 3.080
256 H THR 37 H THR 37 6.233 10.687 2.114
257 HA THR 37 HA THR 37 7.494 12.202 4.135
258 HB THR 37 HB THR 37 7.971 9.319 3.353
259 HG1 THR 37 HG1 THR 37 6.379 10.309 5.488
260 HG21 THR 37 HG21 THR 37 8.996 11.025 5.551
261 HG22 THR 37 HG22 THR 37 9.743 9.645 4.745
262 HG23 THR 37 HG23 THR 37 8.503 9.385 5.971
263 H PHE 38 H PHE 38 8.549 11.093 1.025
264 HA PHE 38 HA PHE 38 11.348 11.258 1.493
265 HB2 PHE 38 HB2 PHE 38 9.992 10.118 -0.452
266 HB3 PHE 38 HB3 PHE 38 10.167 11.691 -1.224
267 HD1 PHE 38 HD1 PHE 38 12.024 8.823 0.170
268 HD2 PHE 38 HD2 PHE 38 12.211 12.360 -2.191
269 HE1 PHE 38 HE1 PHE 38 14.278 8.193 -0.589
270 HE2 PHE 38 HE2 PHE 38 14.465 11.736 -2.954
271 HZ PHE 38 HZ PHE 38 15.502 9.651 -2.152
272 H LYS 39 H LYS 39 8.890 13.552 0.544
273 HA LYS 39 HA LYS 39 10.399 15.597 -0.537
274 HB2 LYS 39 HB2 LYS 39 7.769 15.283 0.482
275 HB3 LYS 39 HB3 LYS 39 8.437 16.739 1.209
276 HG2 LYS 39 HG2 LYS 39 9.159 17.210 -1.295
277 HG3 LYS 39 HG3 LYS 39 7.783 16.154 -1.622
278 HD2 LYS 39 HD2 LYS 39 6.306 17.596 -0.406
279 HD3 LYS 39 HD3 LYS 39 7.657 18.574 0.173
280 HE2 LYS 39 HE2 LYS 39 8.126 18.951 -2.353
281 HE3 LYS 39 HE3 LYS 39 6.456 18.429 -2.565
282 HZ1 LYS 39 HZ1 LYS 39 5.809 20.187 -0.971
283 HZ2 LYS 39 HZ2 LYS 39 6.504 20.794 -2.389
284 HZ3 LYS 39 HZ3 LYS 39 7.409 20.737 -0.961
285 H LYS 40 H LYS 40 9.583 15.116 2.899
286 HA LYS 40 HA LYS 40 11.133 17.281 3.843
287 HB2 LYS 40 HB2 LYS 40 9.861 14.883 5.094
288 HB3 LYS 40 HB3 LYS 40 11.015 15.818 6.035
289 HG2 LYS 40 HG2 LYS 40 9.089 16.863 6.638
290 HG3 LYS 40 HG3 LYS 40 9.518 17.833 5.226
291 HD2 LYS 40 HD2 LYS 40 8.007 16.548 3.840
292 HD3 LYS 40 HD3 LYS 40 7.642 15.469 5.188
293 HE2 LYS 40 HE2 LYS 40 6.357 17.037 6.271
294 HE3 LYS 40 HE3 LYS 40 7.195 18.396 5.524
295 HZ1 LYS 40 HZ1 LYS 40 5.622 18.493 3.992
296 HZ2 LYS 40 HZ2 LYS 40 4.795 17.219 4.736
297 HZ3 LYS 40 HZ3 LYS 40 5.925 16.897 3.519
298 H CYS 41 H CYS 41 11.798 13.801 3.614
299 HA CYS 41 HA CYS 41 14.307 13.778 4.816
300 HB2 CYS 41 HB2 CYS 41 13.193 11.707 4.326
301 HB3 CYS 41 HB3 CYS 41 13.179 12.060 2.601
302 H GLN 42 H GLN 42 13.355 14.667 1.561
303 HA GLN 42 HA GLN 42 15.892 14.674 0.361
304 HB2 GLN 42 HB2 GLN 42 13.285 16.011 -0.215
305 HB3 GLN 42 HB3 GLN 42 14.717 16.550 -1.082
306 HG2 GLN 42 HG2 GLN 42 15.081 14.320 -1.940
307 HG3 GLN 42 HG3 GLN 42 13.716 13.713 -1.003
308 HE21 GLN 42 HE21 GLN 42 14.560 14.342 -3.999
309 HE22 GLN 42 HE22 GLN 42 13.066 14.896 -4.667
310 H ASP 43 H ASP 43 14.196 17.090 2.275
311 HA ASP 43 HA ASP 43 16.042 19.201 1.801
312 HB2 ASP 43 HB2 ASP 43 13.827 19.755 2.547
313 HB3 ASP 43 HB3 ASP 43 14.002 18.752 3.984
314 H LEU 44 H LEU 44 15.804 16.645 4.198
315 HA LEU 44 HA LEU 44 17.757 17.630 5.983
316 HB2 LEU 44 HB2 LEU 44 17.101 14.735 5.488
317 HB3 LEU 44 HB3 LEU 44 17.754 15.454 6.958
318 HG LEU 44 HG LEU 44 14.966 15.840 5.872
319 HD11 LEU 44 HD11 LEU 44 14.601 14.757 8.267
320 HD12 LEU 44 HD12 LEU 44 16.172 14.046 7.899
321 HD13 LEU 44 HD13 LEU 44 14.808 13.779 6.813
322 HD21 LEU 44 HD21 LEU 44 16.504 17.169 8.039
323 HD22 LEU 44 HD22 LEU 44 14.801 16.811 8.327
324 HD23 LEU 44 HD23 LEU 44 15.271 17.821 6.960
325 H LEU 45 H LEU 45 17.977 15.188 3.398
326 HA LEU 45 HA LEU 45 20.740 14.733 3.643
327 HB2 LEU 45 HB2 LEU 45 19.017 14.472 1.183
328 HB3 LEU 45 HB3 LEU 45 20.596 13.728 1.430
329 HG LEU 45 HG LEU 45 18.038 13.069 2.888
330 HD11 LEU 45 HD11 LEU 45 17.920 12.038 0.806
331 HD12 LEU 45 HD12 LEU 45 18.613 10.792 1.845
332 HD13 LEU 45 HD13 LEU 45 19.653 11.714 0.759
333 HD21 LEU 45 HD21 LEU 45 19.632 11.150 3.703
334 HD22 LEU 45 HD22 LEU 45 19.578 12.698 4.546
335 HD23 LEU 45 HD23 LEU 45 20.884 12.357 3.411
336 H HIS 46 H HIS 46 18.930 17.254 2.097
337 HA HIS 46 HA HIS 46 21.432 18.355 0.995
338 HB2 HIS 46 HB2 HIS 46 19.385 17.718 -0.540
339 HB3 HIS 46 HB3 HIS 46 18.753 19.263 0.022
340 HD1 HIS 46 HD1 HIS 46 22.078 18.054 -1.406
341 HD2 HIS 46 HD2 HIS 46 19.425 21.240 -1.677
342 HE1 HIS 46 HE1 HIS 46 23.066 19.608 -3.119
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 0.578 -2.168 -1.416
2 HA ALA 1 HA ALA 1 2.185 0.018 -0.264
3 HB1 ALA 1 HB1 ALA 1 2.584 -1.770 1.577
4 HB2 ALA 1 HB2 ALA 1 1.059 -0.884 1.542
5 HB3 ALA 1 HB3 ALA 1 1.139 -2.527 0.906
6 H ASP 2 H ASP 2 2.937 -1.025 -2.722
7 HA ASP 2 HA ASP 2 4.911 -3.086 -2.375
8 HB2 ASP 2 HB2 ASP 2 4.183 -1.282 -4.681
9 HB3 ASP 2 HB3 ASP 2 5.526 -2.419 -4.761
10 H ASN 3 H ASN 3 7.101 -2.887 -2.223
11 HA ASN 3 HA ASN 3 8.098 -0.299 -1.378
12 HB2 ASN 3 HB2 ASN 3 9.025 -3.115 -1.191
13 HB3 ASN 3 HB3 ASN 3 10.271 -1.870 -1.214
14 HD21 ASN 3 HD21 ASN 3 10.942 -1.583 0.783
15 HD22 ASN 3 HD22 ASN 3 9.936 -1.393 2.175
16 H LYS 4 H LYS 4 8.826 1.098 -2.829
17 HA LYS 4 HA LYS 4 9.663 0.274 -5.454
18 HB2 LYS 4 HB2 LYS 4 9.443 2.924 -4.051
19 HB3 LYS 4 HB3 LYS 4 10.225 2.794 -5.621
20 HG2 LYS 4 HG2 LYS 4 8.283 2.567 -6.709
21 HG3 LYS 4 HG3 LYS 4 7.598 1.508 -5.473
22 HD2 LYS 4 HD2 LYS 4 6.809 3.278 -4.210
23 HD3 LYS 4 HD3 LYS 4 7.967 4.419 -4.898
24 HE2 LYS 4 HE2 LYS 4 6.754 4.592 -6.909
25 HE3 LYS 4 HE3 LYS 4 5.786 3.165 -6.542
26 HZ1 LYS 4 HZ1 LYS 4 5.655 5.508 -4.768
27 HZ2 LYS 4 HZ2 LYS 4 4.489 4.317 -5.055
28 HZ3 LYS 4 HZ3 LYS 4 4.783 5.511 -6.218
29 H CYS 5 H CYS 5 11.218 1.347 -2.495
30 HA CYS 5 HA CYS 5 13.788 1.822 -3.524
31 HB2 CYS 5 HB2 CYS 5 14.554 1.480 -1.179
32 HB3 CYS 5 HB3 CYS 5 13.189 2.585 -1.309
33 H GLU 6 H GLU 6 12.101 -1.112 -2.776
34 HA GLU 6 HA GLU 6 14.188 -2.896 -2.386
35 HB2 GLU 6 HB2 GLU 6 11.806 -3.474 -2.124
36 HB3 GLU 6 HB3 GLU 6 11.601 -3.397 -3.868
37 HG2 GLU 6 HG2 GLU 6 13.315 -5.215 -4.054
38 HG3 GLU 6 HG3 GLU 6 13.238 -5.369 -2.300
39 H ASN 7 H ASN 7 13.045 -1.395 -5.319
40 HA ASN 7 HA ASN 7 14.906 -3.019 -6.909
41 HB2 ASN 7 HB2 ASN 7 13.687 -2.013 -8.873
42 HB3 ASN 7 HB3 ASN 7 12.700 -3.041 -7.838
43 HD21 ASN 7 HD21 ASN 7 13.400 0.234 -8.799
44 HD22 ASN 7 HD22 ASN 7 11.944 0.935 -8.186
45 H SER 8 H SER 8 14.247 0.205 -5.791
46 HA SER 8 HA SER 8 16.326 1.341 -7.500
47 HB2 SER 8 HB2 SER 8 14.316 2.582 -5.617
48 HB3 SER 8 HB3 SER 8 15.597 3.511 -6.395
49 HG SER 8 HG SER 8 13.253 2.565 -7.428
50 H LEU 9 H LEU 9 18.339 1.072 -6.792
51 HA LEU 9 HA LEU 9 19.054 0.571 -4.110
52 HB2 LEU 9 HB2 LEU 9 21.292 0.615 -4.836
53 HB3 LEU 9 HB3 LEU 9 20.354 -0.041 -6.176
54 HG LEU 9 HG LEU 9 20.411 2.519 -6.932
55 HD11 LEU 9 HD11 LEU 9 23.009 2.999 -6.438
56 HD12 LEU 9 HD12 LEU 9 22.547 2.224 -4.924
57 HD13 LEU 9 HD13 LEU 9 21.691 3.664 -5.474
58 HD21 LEU 9 HD21 LEU 9 22.705 1.785 -8.048
59 HD22 LEU 9 HD22 LEU 9 21.161 1.078 -8.524
60 HD23 LEU 9 HD23 LEU 9 22.219 0.216 -7.406
61 H ARG 10 H ARG 10 18.927 3.511 -6.035
62 HA ARG 10 HA ARG 10 20.301 5.191 -4.230
63 HB2 ARG 10 HB2 ARG 10 18.541 5.560 -6.585
64 HB3 ARG 10 HB3 ARG 10 18.662 6.925 -5.483
65 HG2 ARG 10 HG2 ARG 10 21.149 6.775 -5.703
66 HG3 ARG 10 HG3 ARG 10 20.897 5.572 -6.970
67 HD2 ARG 10 HD2 ARG 10 19.341 7.393 -7.999
68 HD3 ARG 10 HD3 ARG 10 20.257 8.491 -6.968
69 HE ARG 10 HE ARG 10 22.177 7.086 -8.271
70 HH11 ARG 10 HH11 ARG 10 19.404 8.920 -9.303
71 HH12 ARG 10 HH12 ARG 10 20.115 9.395 -10.809
72 HH21 ARG 10 HH21 ARG 10 23.125 7.705 -10.251
73 HH22 ARG 10 HH22 ARG 10 22.232 8.703 -11.348
74 H ARG 11 H ARG 11 16.858 4.451 -4.643
75 HA ARG 11 HA ARG 11 15.876 6.242 -2.716
76 HB2 ARG 11 HB2 ARG 11 14.451 5.135 -4.387
77 HB3 ARG 11 HB3 ARG 11 14.723 3.589 -3.593
78 HG2 ARG 11 HG2 ARG 11 12.663 4.200 -2.774
79 HG3 ARG 11 HG3 ARG 11 13.746 4.778 -1.506
80 HD2 ARG 11 HD2 ARG 11 13.436 6.984 -2.056
81 HD3 ARG 11 HD3 ARG 11 13.052 6.620 -3.738
82 HE ARG 11 HE ARG 11 11.084 5.677 -1.866
83 HH11 ARG 11 HH11 ARG 11 12.153 8.375 -3.788
84 HH12 ARG 11 HH12 ARG 11 10.589 9.118 -3.851
85 HH21 ARG 11 HH21 ARG 11 9.020 6.645 -1.942
86 HH22 ARG 11 HH22 ARG 11 8.808 8.133 -2.800
87 H GLU 12 H GLU 12 17.166 2.989 -2.454
88 HA GLU 12 HA GLU 12 16.360 2.568 0.248
89 HB2 GLU 12 HB2 GLU 12 17.066 0.832 -1.547
90 HB3 GLU 12 HB3 GLU 12 18.706 1.198 -1.032
91 HG2 GLU 12 HG2 GLU 12 16.707 0.520 1.053
92 HG3 GLU 12 HG3 GLU 12 17.317 -0.776 0.026
93 H ILE 13 H ILE 13 19.458 3.456 -1.259
94 HA ILE 13 HA ILE 13 20.919 3.711 1.126
95 HB ILE 13 HB ILE 13 21.348 5.154 -1.493
96 HG12 ILE 13 HG12 ILE 13 22.815 2.712 -0.520
97 HG13 ILE 13 HG13 ILE 13 21.312 2.572 -1.425
98 HG21 ILE 13 HG21 ILE 13 23.714 5.293 -0.689
99 HG22 ILE 13 HG22 ILE 13 22.569 6.282 0.215
100 HG23 ILE 13 HG23 ILE 13 23.144 4.758 0.892
101 HD11 ILE 13 HD11 ILE 13 22.343 3.828 -3.271
102 HD12 ILE 13 HD12 ILE 13 23.858 3.866 -2.367
103 HD13 ILE 13 HD13 ILE 13 23.189 2.325 -2.905
104 H ALA 14 H ALA 14 18.858 5.960 -0.613
105 HA ALA 14 HA ALA 14 19.600 8.279 0.855
106 HB1 ALA 14 HB1 ALA 14 18.606 8.661 -1.239
107 HB2 ALA 14 HB2 ALA 14 17.236 7.612 -0.875
108 HB3 ALA 14 HB3 ALA 14 17.397 9.166 -0.058
109 H CYS 15 H CYS 15 16.982 5.914 1.178
110 HA CYS 15 HA CYS 15 15.695 7.226 3.344
111 HB2 CYS 15 HB2 CYS 15 15.485 4.586 2.002
112 HB3 CYS 15 HB3 CYS 15 14.866 4.688 3.647
113 H GLY 16 H GLY 16 18.137 4.684 3.124
114 HA2 GLY 16 HA2 GLY 16 18.214 3.822 5.753
115 HA3 GLY 16 HA3 GLY 16 19.613 3.880 4.690
116 H GLN 17 H GLN 17 19.888 6.610 4.326
117 HA GLN 17 HA GLN 17 21.281 7.342 6.667
118 HB2 GLN 17 HB2 GLN 17 20.479 8.903 4.215
119 HB3 GLN 17 HB3 GLN 17 21.437 9.602 5.514
120 HG2 GLN 17 HG2 GLN 17 23.000 7.581 5.126
121 HG3 GLN 17 HG3 GLN 17 22.170 7.452 3.576
122 HE21 GLN 17 HE21 GLN 17 23.621 8.143 2.149
123 HE22 GLN 17 HE22 GLN 17 24.433 9.666 2.206
124 H CYS 18 H CYS 18 18.331 8.722 5.215
125 HA CYS 18 HA CYS 18 17.759 10.553 7.234
126 HB2 CYS 18 HB2 CYS 18 16.059 9.125 5.212
127 HB3 CYS 18 HB3 CYS 18 15.318 10.182 6.410
128 H ARG 19 H ARG 19 17.150 7.117 7.042
129 HA ARG 19 HA ARG 19 15.243 6.863 9.073
130 HB2 ARG 19 HB2 ARG 19 15.737 5.016 7.595
131 HB3 ARG 19 HB3 ARG 19 17.399 4.950 8.168
132 HG2 ARG 19 HG2 ARG 19 16.515 4.375 10.430
133 HG3 ARG 19 HG3 ARG 19 14.910 4.256 9.706
134 HD2 ARG 19 HD2 ARG 19 16.364 2.703 8.021
135 HD3 ARG 19 HD3 ARG 19 17.202 2.424 9.547
136 HE ARG 19 HE ARG 19 14.336 2.181 9.707
137 HH11 ARG 19 HH11 ARG 19 17.338 0.540 9.063
138 HH12 ARG 19 HH12 ARG 19 16.709 -1.032 9.431
139 HH21 ARG 19 HH21 ARG 19 13.496 0.117 10.194
140 HH22 ARG 19 HH22 ARG 19 14.523 -1.272 10.073
141 H ASP 20 H ASP 20 18.752 7.085 9.201
142 HA ASP 20 HA ASP 20 18.851 6.583 12.043
143 HB2 ASP 20 HB2 ASP 20 20.895 7.305 9.959
144 HB3 ASP 20 HB3 ASP 20 21.297 7.353 11.673
145 H LYS 21 H LYS 21 19.448 9.378 9.923
146 HA LYS 21 HA LYS 21 19.973 11.249 11.931
147 HB2 LYS 21 HB2 LYS 21 18.778 11.606 9.179
148 HB3 LYS 21 HB3 LYS 21 19.264 12.945 10.211
149 HG2 LYS 21 HG2 LYS 21 21.139 10.766 9.328
150 HG3 LYS 21 HG3 LYS 21 20.923 12.288 8.460
151 HD2 LYS 21 HD2 LYS 21 21.756 13.550 10.286
152 HD3 LYS 21 HD3 LYS 21 21.673 12.162 11.374
153 HE2 LYS 21 HE2 LYS 21 23.517 11.127 10.379
154 HE3 LYS 21 HE3 LYS 21 23.402 12.115 8.924
155 HZ1 LYS 21 HZ1 LYS 21 25.164 13.065 10.023
156 HZ2 LYS 21 HZ2 LYS 21 24.501 12.818 11.560
157 HZ3 LYS 21 HZ3 LYS 21 23.890 14.039 10.562
158 H VAL 22 H VAL 22 16.921 10.849 10.120
159 HA VAL 22 HA VAL 22 15.348 12.558 11.611
160 HB VAL 22 HB VAL 22 14.483 9.967 10.318
161 HG11 VAL 22 HG11 VAL 22 12.370 11.688 10.157
162 HG12 VAL 22 HG12 VAL 22 12.547 10.409 11.359
163 HG13 VAL 22 HG13 VAL 22 13.025 12.061 11.750
164 HG21 VAL 22 HG21 VAL 22 14.232 12.721 9.152
165 HG22 VAL 22 HG22 VAL 22 15.680 11.744 8.910
166 HG23 VAL 22 HG23 VAL 22 14.118 11.160 8.338
167 H LYS 23 H LYS 23 16.423 9.332 12.371
168 HA LYS 23 HA LYS 23 16.215 8.025 14.221
169 HB2 LYS 23 HB2 LYS 23 15.721 10.754 15.396
170 HB3 LYS 23 HB3 LYS 23 15.736 9.304 16.392
171 HG2 LYS 23 HG2 LYS 23 18.057 8.933 15.182
172 HG3 LYS 23 HG3 LYS 23 17.969 10.688 15.015
173 HD2 LYS 23 HD2 LYS 23 17.565 9.268 17.639
174 HD3 LYS 23 HD3 LYS 23 19.145 9.825 17.082
175 HE2 LYS 23 HE2 LYS 23 18.504 11.641 18.310
176 HE3 LYS 23 HE3 LYS 23 17.835 12.091 16.742
177 HZ1 LYS 23 HZ1 LYS 23 15.716 11.732 17.436
178 HZ2 LYS 23 HZ2 LYS 23 16.397 12.175 18.920
179 HZ3 LYS 23 HZ3 LYS 23 16.145 10.541 18.559
180 H THR 24 H THR 24 14.116 7.674 12.687
181 HA THR 24 HA THR 24 11.876 7.515 14.581
182 HB THR 24 HB THR 24 11.635 8.359 11.686
183 HG1 THR 24 HG1 THR 24 10.564 10.193 12.955
184 HG21 THR 24 HG21 THR 24 9.186 8.719 12.529
185 HG22 THR 24 HG22 THR 24 9.624 7.498 13.725
186 HG23 THR 24 HG23 THR 24 9.710 7.119 12.005
187 H ASP 25 H ASP 25 11.430 5.441 14.878
188 HA ASP 25 HA ASP 25 12.345 3.360 13.218
189 HB2 ASP 25 HB2 ASP 25 10.081 3.223 15.218
190 HB3 ASP 25 HB3 ASP 25 11.057 1.879 14.631
191 H GLY 26 H GLY 26 11.491 2.371 11.487
192 HA2 GLY 26 HA2 GLY 26 9.787 1.594 10.070
193 HA3 GLY 26 HA3 GLY 26 8.647 2.641 10.902
194 H TYR 27 H TYR 27 10.868 4.793 10.523
195 HA TYR 27 HA TYR 27 9.685 6.206 8.468
196 HB2 TYR 27 HB2 TYR 27 11.319 7.082 10.183
197 HB3 TYR 27 HB3 TYR 27 12.611 6.405 9.197
198 HD1 TYR 27 HD1 TYR 27 9.864 8.890 9.213
199 HD2 TYR 27 HD2 TYR 27 13.415 7.549 7.291
200 HE1 TYR 27 HE1 TYR 27 9.902 10.946 7.864
201 HE2 TYR 27 HE2 TYR 27 13.464 9.602 5.937
202 HH TYR 27 HH TYR 27 12.023 12.278 6.600
203 H PHE 28 H PHE 28 12.485 4.038 8.324
204 HA PHE 28 HA PHE 28 13.201 4.445 5.665
205 HB2 PHE 28 HB2 PHE 28 14.656 3.196 7.104
206 HB3 PHE 28 HB3 PHE 28 13.414 1.986 7.405
207 HD1 PHE 28 HD1 PHE 28 12.892 0.297 5.747
208 HD2 PHE 28 HD2 PHE 28 15.924 3.203 5.054
209 HE1 PHE 28 HE1 PHE 28 13.750 -1.049 3.876
210 HE2 PHE 28 HE2 PHE 28 16.786 1.861 3.181
211 HZ PHE 28 HZ PHE 28 15.700 -0.269 2.590
212 H TYR 29 H TYR 29 10.868 2.168 7.057
213 HA TYR 29 HA TYR 29 10.161 1.033 4.526
214 HB2 TYR 29 HB2 TYR 29 9.885 -0.335 6.473
215 HB3 TYR 29 HB3 TYR 29 8.887 0.882 7.260
216 HD1 TYR 29 HD1 TYR 29 8.976 -1.672 4.608
217 HD2 TYR 29 HD2 TYR 29 6.548 1.071 6.772
218 HE1 TYR 29 HE1 TYR 29 6.960 -2.746 3.697
219 HE2 TYR 29 HE2 TYR 29 4.525 0.004 5.868
220 HH TYR 29 HH TYR 29 4.738 -2.835 3.749
221 H GLU 30 H GLU 30 9.145 3.773 6.366
222 HA GLU 30 HA GLU 30 6.586 4.084 5.121
223 HB2 GLU 30 HB2 GLU 30 7.186 5.019 7.362
224 HB3 GLU 30 HB3 GLU 30 8.238 6.171 6.551
225 HG2 GLU 30 HG2 GLU 30 6.390 7.212 5.468
226 HG3 GLU 30 HG3 GLU 30 5.288 5.949 6.016
227 H CYS 31 H CYS 31 9.676 5.836 4.810
228 HA CYS 31 HA CYS 31 8.881 7.474 2.673
229 HB2 CYS 31 HB2 CYS 31 11.296 7.847 2.316
230 HB3 CYS 31 HB3 CYS 31 10.853 7.976 4.015
231 H CYS 32 H CYS 32 9.984 4.182 2.787
232 HA CYS 32 HA CYS 32 10.784 3.893 0.099
233 HB2 CYS 32 HB2 CYS 32 10.030 2.054 2.312
234 HB3 CYS 32 HB3 CYS 32 9.993 1.401 0.677
235 H THR 33 H THR 33 7.681 4.060 1.600
236 HA THR 33 HA THR 33 6.420 3.520 -1.006
237 HB THR 33 HB THR 33 4.523 2.483 0.070
238 HG1 THR 33 HG1 THR 33 5.874 2.644 2.560
239 HG21 THR 33 HG21 THR 33 6.654 1.155 -0.418
240 HG22 THR 33 HG22 THR 33 5.486 0.425 0.684
241 HG23 THR 33 HG23 THR 33 6.936 1.198 1.322
242 H SER 34 H SER 34 7.248 5.988 0.579
243 HA SER 34 HA SER 34 4.668 7.370 0.322
244 HB2 SER 34 HB2 SER 34 5.280 6.910 2.746
245 HB3 SER 34 HB3 SER 34 6.644 8.005 2.517
246 HG SER 34 HG SER 34 3.892 8.631 2.209
247 H ASP 35 H ASP 35 5.011 8.561 -1.453
248 HA ASP 35 HA ASP 35 7.516 9.610 -2.238
249 HB2 ASP 35 HB2 ASP 35 4.682 10.114 -3.104
250 HB3 ASP 35 HB3 ASP 35 6.007 11.074 -3.756
251 H SER 36 H SER 36 4.856 10.904 -0.355
252 HA SER 36 HA SER 36 5.706 13.607 -0.362
253 HB2 SER 36 HB2 SER 36 4.034 12.167 1.711
254 HB3 SER 36 HB3 SER 36 4.135 13.913 1.483
255 HG SER 36 HG SER 36 2.327 12.592 0.454
256 H THR 37 H THR 37 6.075 11.014 2.048
257 HA THR 37 HA THR 37 7.523 12.423 3.950
258 HB THR 37 HB THR 37 7.926 9.507 3.261
259 HG1 THR 37 HG1 THR 37 6.038 10.701 5.036
260 HG21 THR 37 HG21 THR 37 9.485 9.748 4.876
261 HG22 THR 37 HG22 THR 37 8.096 9.721 5.962
262 HG23 THR 37 HG23 THR 37 8.792 11.261 5.460
263 H PHE 38 H PHE 38 8.522 11.180 0.873
264 HA PHE 38 HA PHE 38 11.319 11.140 1.353
265 HB2 PHE 38 HB2 PHE 38 10.014 10.022 -0.559
266 HB3 PHE 38 HB3 PHE 38 10.054 11.599 -1.341
267 HD1 PHE 38 HD1 PHE 38 12.389 9.219 0.335
268 HD2 PHE 38 HD2 PHE 38 11.754 12.003 -2.822
269 HE1 PHE 38 HE1 PHE 38 14.626 8.713 -0.557
270 HE2 PHE 38 HE2 PHE 38 13.989 11.500 -3.719
271 HZ PHE 38 HZ PHE 38 15.428 9.854 -2.587
272 H LYS 39 H LYS 39 9.056 13.618 0.382
273 HA LYS 39 HA LYS 39 10.741 15.532 -0.687
274 HB2 LYS 39 HB2 LYS 39 8.281 15.852 1.033
275 HB3 LYS 39 HB3 LYS 39 9.081 17.200 0.236
276 HG2 LYS 39 HG2 LYS 39 8.658 16.193 -1.935
277 HG3 LYS 39 HG3 LYS 39 7.896 14.805 -1.154
278 HD2 LYS 39 HD2 LYS 39 6.101 16.158 -1.805
279 HD3 LYS 39 HD3 LYS 39 6.311 16.514 -0.089
280 HE2 LYS 39 HE2 LYS 39 7.866 18.418 -0.978
281 HE3 LYS 39 HE3 LYS 39 6.960 18.192 -2.474
282 HZ1 LYS 39 HZ1 LYS 39 5.013 18.302 -0.609
283 HZ2 LYS 39 HZ2 LYS 39 5.519 19.607 -1.558
284 HZ3 LYS 39 HZ3 LYS 39 6.139 19.406 0.003
285 H LYS 40 H LYS 40 9.790 15.182 2.732
286 HA LYS 40 HA LYS 40 11.451 17.218 3.721
287 HB2 LYS 40 HB2 LYS 40 10.280 14.764 5.028
288 HB3 LYS 40 HB3 LYS 40 11.203 15.967 5.920
289 HG2 LYS 40 HG2 LYS 40 9.060 16.678 6.294
290 HG3 LYS 40 HG3 LYS 40 9.491 17.636 4.876
291 HD2 LYS 40 HD2 LYS 40 8.224 16.292 3.440
292 HD3 LYS 40 HD3 LYS 40 8.145 14.968 4.604
293 HE2 LYS 40 HE2 LYS 40 6.002 16.035 4.531
294 HE3 LYS 40 HE3 LYS 40 6.763 16.425 6.073
295 HZ1 LYS 40 HZ1 LYS 40 5.787 18.190 4.150
296 HZ2 LYS 40 HZ2 LYS 40 7.467 18.383 4.186
297 HZ3 LYS 40 HZ3 LYS 40 6.564 18.565 5.605
298 H CYS 41 H CYS 41 11.964 13.699 3.568
299 HA CYS 41 HA CYS 41 14.479 13.598 4.736
300 HB2 CYS 41 HB2 CYS 41 13.281 11.565 4.296
301 HB3 CYS 41 HB3 CYS 41 13.264 11.885 2.565
302 H GLN 42 H GLN 42 13.558 14.378 1.433
303 HA GLN 42 HA GLN 42 16.148 14.323 0.311
304 HB2 GLN 42 HB2 GLN 42 13.539 15.564 -0.472
305 HB3 GLN 42 HB3 GLN 42 15.000 16.002 -1.348
306 HG2 GLN 42 HG2 GLN 42 15.379 13.575 -1.777
307 HG3 GLN 42 HG3 GLN 42 13.796 13.262 -1.066
308 HE21 GLN 42 HE21 GLN 42 11.989 14.560 -2.052
309 HE22 GLN 42 HE22 GLN 42 11.996 14.724 -3.772
310 H ASP 43 H ASP 43 14.352 16.777 2.050
311 HA ASP 43 HA ASP 43 16.097 18.941 1.432
312 HB2 ASP 43 HB2 ASP 43 13.654 18.963 2.362
313 HB3 ASP 43 HB3 ASP 43 14.444 18.847 3.933
314 H LEU 44 H LEU 44 15.880 16.636 4.100
315 HA LEU 44 HA LEU 44 17.801 17.787 5.780
316 HB2 LEU 44 HB2 LEU 44 17.236 14.846 5.458
317 HB3 LEU 44 HB3 LEU 44 17.925 15.647 6.868
318 HG LEU 44 HG LEU 44 15.090 15.864 5.864
319 HD11 LEU 44 HD11 LEU 44 14.999 15.075 8.461
320 HD12 LEU 44 HD12 LEU 44 16.456 14.256 7.897
321 HD13 LEU 44 HD13 LEU 44 14.919 13.987 7.075
322 HD21 LEU 44 HD21 LEU 44 15.832 18.019 6.705
323 HD22 LEU 44 HD22 LEU 44 16.432 17.258 8.178
324 HD23 LEU 44 HD23 LEU 44 14.702 17.273 7.835
325 H LEU 45 H LEU 45 18.166 15.191 3.368
326 HA LEU 45 HA LEU 45 20.937 14.867 3.661
327 HB2 LEU 45 HB2 LEU 45 19.295 14.430 1.172
328 HB3 LEU 45 HB3 LEU 45 20.871 13.726 1.527
329 HG LEU 45 HG LEU 45 18.369 13.151 3.108
330 HD11 LEU 45 HD11 LEU 45 17.813 12.133 1.144
331 HD12 LEU 45 HD12 LEU 45 18.790 10.859 1.873
332 HD13 LEU 45 HD13 LEU 45 19.492 11.917 0.649
333 HD21 LEU 45 HD21 LEU 45 19.592 11.658 4.325
334 HD22 LEU 45 HD22 LEU 45 20.839 12.862 3.998
335 HD23 LEU 45 HD23 LEU 45 20.761 11.389 3.031
336 H HIS 46 H HIS 46 19.063 17.250 1.986
337 HA HIS 46 HA HIS 46 21.463 18.281 0.644
338 HB2 HIS 46 HB2 HIS 46 18.518 18.723 0.200
339 HB3 HIS 46 HB3 HIS 46 19.724 19.803 -0.493
340 HD1 HIS 46 HD1 HIS 46 18.312 18.658 -2.658
341 HD2 HIS 46 HD2 HIS 46 21.235 16.414 -0.739
342 HE1 HIS 46 HE1 HIS 46 18.959 16.858 -4.292
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 0.108 -1.408 -1.927
2 HA ALA 1 HA ALA 1 2.048 0.565 -0.913
3 HB1 ALA 1 HB1 ALA 1 1.303 -2.075 0.338
4 HB2 ALA 1 HB2 ALA 1 2.369 -0.845 1.016
5 HB3 ALA 1 HB3 ALA 1 0.649 -0.510 0.821
6 H ASP 2 H ASP 2 3.372 0.351 -2.779
7 HA ASP 2 HA ASP 2 4.733 -2.247 -3.032
8 HB2 ASP 2 HB2 ASP 2 4.232 -0.030 -5.004
9 HB3 ASP 2 HB3 ASP 2 5.509 -1.214 -5.271
10 H ASN 3 H ASN 3 6.856 -2.402 -2.613
11 HA ASN 3 HA ASN 3 8.195 -0.157 -1.420
12 HB2 ASN 3 HB2 ASN 3 8.749 -3.059 -1.760
13 HB3 ASN 3 HB3 ASN 3 10.138 -2.001 -1.529
14 HD21 ASN 3 HD21 ASN 3 9.356 -4.000 0.267
15 HD22 ASN 3 HD22 ASN 3 8.877 -3.245 1.745
16 H LYS 4 H LYS 4 9.101 1.376 -2.613
17 HA LYS 4 HA LYS 4 9.937 0.901 -5.327
18 HB2 LYS 4 HB2 LYS 4 9.915 3.304 -3.521
19 HB3 LYS 4 HB3 LYS 4 10.745 3.347 -5.071
20 HG2 LYS 4 HG2 LYS 4 8.833 3.452 -6.241
21 HG3 LYS 4 HG3 LYS 4 7.989 2.335 -5.164
22 HD2 LYS 4 HD2 LYS 4 7.301 4.005 -3.750
23 HD3 LYS 4 HD3 LYS 4 8.666 5.051 -4.147
24 HE2 LYS 4 HE2 LYS 4 6.616 4.423 -6.229
25 HE3 LYS 4 HE3 LYS 4 6.271 5.639 -5.000
26 HZ1 LYS 4 HZ1 LYS 4 8.457 5.654 -6.999
27 HZ2 LYS 4 HZ2 LYS 4 8.425 6.702 -5.672
28 HZ3 LYS 4 HZ3 LYS 4 7.195 6.768 -6.832
29 H CYS 5 H CYS 5 11.429 1.024 -2.203
30 HA CYS 5 HA CYS 5 14.095 1.501 -3.073
31 HB2 CYS 5 HB2 CYS 5 13.148 0.129 -0.548
32 HB3 CYS 5 HB3 CYS 5 14.748 0.811 -0.826
33 H GLU 6 H GLU 6 12.073 -1.307 -2.912
34 HA GLU 6 HA GLU 6 14.060 -3.303 -2.876
35 HB2 GLU 6 HB2 GLU 6 11.802 -3.917 -2.391
36 HB3 GLU 6 HB3 GLU 6 11.235 -3.292 -3.933
37 HG2 GLU 6 HG2 GLU 6 11.282 -5.693 -3.995
38 HG3 GLU 6 HG3 GLU 6 12.503 -5.049 -5.090
39 H ASN 7 H ASN 7 12.756 -1.320 -5.430
40 HA ASN 7 HA ASN 7 14.297 -2.829 -7.425
41 HB2 ASN 7 HB2 ASN 7 12.085 -0.793 -7.765
42 HB3 ASN 7 HB3 ASN 7 12.964 -1.538 -9.097
43 HD21 ASN 7 HD21 ASN 7 10.397 -1.869 -9.249
44 HD22 ASN 7 HD22 ASN 7 9.897 -3.451 -8.766
45 H SER 8 H SER 8 14.011 0.253 -5.837
46 HA SER 8 HA SER 8 16.138 1.363 -7.535
47 HB2 SER 8 HB2 SER 8 13.846 2.562 -6.982
48 HB3 SER 8 HB3 SER 8 14.693 3.014 -5.503
49 HG SER 8 HG SER 8 16.380 3.835 -6.906
50 H LEU 9 H LEU 9 18.111 1.028 -6.762
51 HA LEU 9 HA LEU 9 18.676 0.401 -4.059
52 HB2 LEU 9 HB2 LEU 9 20.945 0.325 -4.694
53 HB3 LEU 9 HB3 LEU 9 20.021 -0.266 -6.074
54 HG LEU 9 HG LEU 9 20.258 2.307 -6.784
55 HD11 LEU 9 HD11 LEU 9 22.923 2.473 -6.183
56 HD12 LEU 9 HD12 LEU 9 22.227 1.881 -4.675
57 HD13 LEU 9 HD13 LEU 9 21.634 3.380 -5.391
58 HD21 LEU 9 HD21 LEU 9 22.442 1.489 -7.946
59 HD22 LEU 9 HD22 LEU 9 20.898 0.735 -8.343
60 HD23 LEU 9 HD23 LEU 9 22.013 -0.067 -7.235
61 H ARG 10 H ARG 10 18.822 3.374 -5.934
62 HA ARG 10 HA ARG 10 20.232 4.939 -4.067
63 HB2 ARG 10 HB2 ARG 10 18.532 5.454 -6.439
64 HB3 ARG 10 HB3 ARG 10 18.714 6.788 -5.308
65 HG2 ARG 10 HG2 ARG 10 21.183 6.527 -5.500
66 HG3 ARG 10 HG3 ARG 10 20.904 5.330 -6.767
67 HD2 ARG 10 HD2 ARG 10 19.431 7.245 -7.800
68 HD3 ARG 10 HD3 ARG 10 20.449 8.276 -6.796
69 HE ARG 10 HE ARG 10 22.144 7.949 -8.284
70 HH11 ARG 10 HH11 ARG 10 19.827 5.378 -8.661
71 HH12 ARG 10 HH12 ARG 10 20.624 4.685 -10.034
72 HH21 ARG 10 HH21 ARG 10 23.203 7.045 -10.090
73 HH22 ARG 10 HH22 ARG 10 22.545 5.633 -10.845
74 H ARG 11 H ARG 11 16.761 4.399 -4.547
75 HA ARG 11 HA ARG 11 15.846 6.204 -2.600
76 HB2 ARG 11 HB2 ARG 11 14.474 5.056 -4.390
77 HB3 ARG 11 HB3 ARG 11 14.492 3.621 -3.375
78 HG2 ARG 11 HG2 ARG 11 12.472 4.604 -2.843
79 HG3 ARG 11 HG3 ARG 11 13.532 5.177 -1.554
80 HD2 ARG 11 HD2 ARG 11 12.266 7.044 -2.310
81 HD3 ARG 11 HD3 ARG 11 13.911 7.248 -2.912
82 HE ARG 11 HE ARG 11 12.499 5.954 -4.906
83 HH11 ARG 11 HH11 ARG 11 12.352 8.997 -3.222
84 HH12 ARG 11 HH12 ARG 11 11.663 9.854 -4.561
85 HH21 ARG 11 HH21 ARG 11 11.592 7.070 -6.676
86 HH22 ARG 11 HH22 ARG 11 11.230 8.757 -6.525
87 H GLU 12 H GLU 12 16.958 2.883 -2.384
88 HA GLU 12 HA GLU 12 16.083 2.452 0.295
89 HB2 GLU 12 HB2 GLU 12 16.735 0.718 -1.527
90 HB3 GLU 12 HB3 GLU 12 18.379 0.986 -0.967
91 HG2 GLU 12 HG2 GLU 12 17.497 0.449 1.361
92 HG3 GLU 12 HG3 GLU 12 16.057 -0.155 0.544
93 H ILE 13 H ILE 13 19.238 3.236 -1.146
94 HA ILE 13 HA ILE 13 20.671 3.359 1.271
95 HB ILE 13 HB ILE 13 21.222 4.828 -1.310
96 HG12 ILE 13 HG12 ILE 13 22.520 2.282 -0.358
97 HG13 ILE 13 HG13 ILE 13 21.047 2.260 -1.321
98 HG21 ILE 13 HG21 ILE 13 23.638 4.381 -0.153
99 HG22 ILE 13 HG22 ILE 13 22.733 5.888 -0.033
100 HG23 ILE 13 HG23 ILE 13 22.629 4.693 1.259
101 HD11 ILE 13 HD11 ILE 13 23.168 1.957 -2.601
102 HD12 ILE 13 HD12 ILE 13 22.143 3.278 -3.162
103 HD13 ILE 13 HD13 ILE 13 23.577 3.623 -2.195
104 H ALA 14 H ALA 14 18.668 5.689 -0.394
105 HA ALA 14 HA ALA 14 19.528 7.981 1.052
106 HB1 ALA 14 HB1 ALA 14 18.371 8.920 -0.593
107 HB2 ALA 14 HB2 ALA 14 17.615 7.380 -1.004
108 HB3 ALA 14 HB3 ALA 14 16.889 8.420 0.222
109 H CYS 15 H CYS 15 16.684 5.861 1.370
110 HA CYS 15 HA CYS 15 15.567 7.145 3.600
111 HB2 CYS 15 HB2 CYS 15 15.281 4.457 2.340
112 HB3 CYS 15 HB3 CYS 15 14.634 4.680 3.962
113 H GLY 16 H GLY 16 18.041 4.667 3.321
114 HA2 GLY 16 HA2 GLY 16 18.136 3.770 5.958
115 HA3 GLY 16 HA3 GLY 16 19.509 3.808 4.861
116 H GLN 17 H GLN 17 19.790 6.541 4.478
117 HA GLN 17 HA GLN 17 21.251 7.265 6.784
118 HB2 GLN 17 HB2 GLN 17 20.415 8.824 4.342
119 HB3 GLN 17 HB3 GLN 17 21.415 9.514 5.614
120 HG2 GLN 17 HG2 GLN 17 22.954 7.496 5.204
121 HG3 GLN 17 HG3 GLN 17 22.067 7.318 3.692
122 HE21 GLN 17 HE21 GLN 17 22.636 8.532 2.008
123 HE22 GLN 17 HE22 GLN 17 23.772 9.833 2.056
124 H CYS 18 H CYS 18 18.321 8.731 5.372
125 HA CYS 18 HA CYS 18 17.815 10.545 7.423
126 HB2 CYS 18 HB2 CYS 18 16.160 9.262 5.299
127 HB3 CYS 18 HB3 CYS 18 15.327 10.125 6.588
128 H ARG 19 H ARG 19 17.101 7.133 7.179
129 HA ARG 19 HA ARG 19 15.177 6.864 9.169
130 HB2 ARG 19 HB2 ARG 19 15.782 5.026 7.693
131 HB3 ARG 19 HB3 ARG 19 17.393 4.961 8.393
132 HG2 ARG 19 HG2 ARG 19 16.267 4.444 10.599
133 HG3 ARG 19 HG3 ARG 19 14.784 4.211 9.672
134 HD2 ARG 19 HD2 ARG 19 15.491 2.080 9.534
135 HD3 ARG 19 HD3 ARG 19 16.514 2.704 8.241
136 HE ARG 19 HE ARG 19 17.859 3.000 10.683
137 HH11 ARG 19 HH11 ARG 19 16.789 0.504 8.507
138 HH12 ARG 19 HH12 ARG 19 18.051 -0.600 8.944
139 HH21 ARG 19 HH21 ARG 19 19.526 1.557 11.267
140 HH22 ARG 19 HH22 ARG 19 19.607 0.000 10.515
141 H ASP 20 H ASP 20 18.676 7.133 9.412
142 HA ASP 20 HA ASP 20 18.690 6.646 12.258
143 HB2 ASP 20 HB2 ASP 20 20.819 7.479 10.289
144 HB3 ASP 20 HB3 ASP 20 21.126 7.362 12.020
145 H LYS 21 H LYS 21 19.245 9.440 10.132
146 HA LYS 21 HA LYS 21 19.729 11.341 12.116
147 HB2 LYS 21 HB2 LYS 21 18.338 11.814 9.474
148 HB3 LYS 21 HB3 LYS 21 19.187 13.012 10.443
149 HG2 LYS 21 HG2 LYS 21 21.287 11.782 10.081
150 HG3 LYS 21 HG3 LYS 21 20.418 10.640 9.054
151 HD2 LYS 21 HD2 LYS 21 19.942 12.319 7.444
152 HD3 LYS 21 HD3 LYS 21 20.470 13.606 8.531
153 HE2 LYS 21 HE2 LYS 21 22.749 12.353 8.470
154 HE3 LYS 21 HE3 LYS 21 22.105 11.622 7.000
155 HZ1 LYS 21 HZ1 LYS 21 22.980 14.347 7.485
156 HZ2 LYS 21 HZ2 LYS 21 21.585 14.187 6.542
157 HZ3 LYS 21 HZ3 LYS 21 23.021 13.433 6.062
158 H VAL 22 H VAL 22 16.664 10.821 10.358
159 HA VAL 22 HA VAL 22 15.065 12.497 11.868
160 HB VAL 22 HB VAL 22 14.190 9.873 10.654
161 HG11 VAL 22 HG11 VAL 22 12.132 11.612 10.339
162 HG12 VAL 22 HG12 VAL 22 12.273 10.464 11.672
163 HG13 VAL 22 HG13 VAL 22 12.786 12.138 11.889
164 HG21 VAL 22 HG21 VAL 22 15.288 12.161 9.396
165 HG22 VAL 22 HG22 VAL 22 14.583 10.730 8.643
166 HG23 VAL 22 HG23 VAL 22 13.565 12.119 9.023
167 H LYS 23 H LYS 23 16.265 9.321 12.622
168 HA LYS 23 HA LYS 23 16.110 8.000 14.468
169 HB2 LYS 23 HB2 LYS 23 15.636 10.739 15.598
170 HB3 LYS 23 HB3 LYS 23 15.535 9.324 16.637
171 HG2 LYS 23 HG2 LYS 23 17.879 8.783 15.582
172 HG3 LYS 23 HG3 LYS 23 17.895 10.523 15.284
173 HD2 LYS 23 HD2 LYS 23 17.192 10.682 17.787
174 HD3 LYS 23 HD3 LYS 23 17.836 9.041 17.883
175 HE2 LYS 23 HE2 LYS 23 19.680 10.324 18.430
176 HE3 LYS 23 HE3 LYS 23 19.910 10.062 16.702
177 HZ1 LYS 23 HZ1 LYS 23 18.463 12.313 16.717
178 HZ2 LYS 23 HZ2 LYS 23 20.153 12.275 16.667
179 HZ3 LYS 23 HZ3 LYS 23 19.356 12.510 18.140
180 H THR 24 H THR 24 13.987 7.630 12.941
181 HA THR 24 HA THR 24 11.793 7.357 14.874
182 HB THR 24 HB THR 24 11.462 8.283 12.013
183 HG1 THR 24 HG1 THR 24 10.932 9.576 14.501
184 HG21 THR 24 HG21 THR 24 9.663 6.774 12.629
185 HG22 THR 24 HG22 THR 24 9.061 8.430 12.583
186 HG23 THR 24 HG23 THR 24 9.402 7.658 14.131
187 H ASP 25 H ASP 25 11.407 5.264 15.113
188 HA ASP 25 HA ASP 25 12.342 3.257 13.378
189 HB2 ASP 25 HB2 ASP 25 11.184 1.704 14.778
190 HB3 ASP 25 HB3 ASP 25 11.783 2.989 15.824
191 H GLY 26 H GLY 26 11.517 2.356 11.596
192 HA2 GLY 26 HA2 GLY 26 9.800 1.559 10.189
193 HA3 GLY 26 HA3 GLY 26 8.654 2.577 11.049
194 H TYR 27 H TYR 27 10.820 4.775 10.719
195 HA TYR 27 HA TYR 27 9.619 6.196 8.677
196 HB2 TYR 27 HB2 TYR 27 11.163 7.134 10.403
197 HB3 TYR 27 HB3 TYR 27 12.515 6.441 9.515
198 HD1 TYR 27 HD1 TYR 27 9.843 8.979 9.408
199 HD2 TYR 27 HD2 TYR 27 13.356 7.480 7.535
200 HE1 TYR 27 HE1 TYR 27 9.957 11.004 8.016
201 HE2 TYR 27 HE2 TYR 27 13.481 9.501 6.138
202 HH TYR 27 HH TYR 27 10.905 11.806 6.008
203 H PHE 28 H PHE 28 12.524 4.162 8.529
204 HA PHE 28 HA PHE 28 13.256 4.626 5.896
205 HB2 PHE 28 HB2 PHE 28 14.714 3.375 7.331
206 HB3 PHE 28 HB3 PHE 28 13.495 2.128 7.578
207 HD1 PHE 28 HD1 PHE 28 13.015 0.496 5.838
208 HD2 PHE 28 HD2 PHE 28 16.050 3.438 5.339
209 HE1 PHE 28 HE1 PHE 28 13.940 -0.784 3.951
210 HE2 PHE 28 HE2 PHE 28 16.979 2.164 3.450
211 HZ PHE 28 HZ PHE 28 15.924 0.051 2.753
212 H TYR 29 H TYR 29 10.962 2.249 7.185
213 HA TYR 29 HA TYR 29 10.326 1.171 4.611
214 HB2 TYR 29 HB2 TYR 29 10.091 -0.194 6.621
215 HB3 TYR 29 HB3 TYR 29 8.894 0.924 7.265
216 HD1 TYR 29 HD1 TYR 29 9.479 -1.143 4.203
217 HD2 TYR 29 HD2 TYR 29 6.671 0.359 7.025
218 HE1 TYR 29 HE1 TYR 29 7.695 -2.433 3.106
219 HE2 TYR 29 HE2 TYR 29 4.879 -0.928 5.936
220 HH TYR 29 HH TYR 29 5.511 -3.349 3.608
221 H GLU 30 H GLU 30 9.201 3.823 6.518
222 HA GLU 30 HA GLU 30 6.652 4.103 5.256
223 HB2 GLU 30 HB2 GLU 30 7.231 5.012 7.519
224 HB3 GLU 30 HB3 GLU 30 8.241 6.211 6.724
225 HG2 GLU 30 HG2 GLU 30 6.107 6.836 5.431
226 HG3 GLU 30 HG3 GLU 30 5.264 5.943 6.695
227 H CYS 31 H CYS 31 9.701 5.932 4.991
228 HA CYS 31 HA CYS 31 8.867 7.579 2.868
229 HB2 CYS 31 HB2 CYS 31 11.290 8.014 2.537
230 HB3 CYS 31 HB3 CYS 31 10.790 8.171 4.217
231 H CYS 32 H CYS 32 10.094 4.330 2.960
232 HA CYS 32 HA CYS 32 10.932 4.112 0.272
233 HB2 CYS 32 HB2 CYS 32 10.285 2.227 2.473
234 HB3 CYS 32 HB3 CYS 32 10.242 1.577 0.837
235 H THR 33 H THR 33 7.817 4.094 1.765
236 HA THR 33 HA THR 33 6.596 3.487 -0.847
237 HB THR 33 HB THR 33 4.716 2.426 0.259
238 HG1 THR 33 HG1 THR 33 4.720 2.154 2.516
239 HG21 THR 33 HG21 THR 33 6.808 1.111 -0.278
240 HG22 THR 33 HG22 THR 33 5.753 0.400 0.943
241 HG23 THR 33 HG23 THR 33 7.226 1.239 1.430
242 H SER 34 H SER 34 7.325 6.017 0.688
243 HA SER 34 HA SER 34 4.699 7.300 0.385
244 HB2 SER 34 HB2 SER 34 6.655 7.825 2.637
245 HB3 SER 34 HB3 SER 34 5.165 8.723 2.348
246 HG SER 34 HG SER 34 4.203 7.235 3.455
247 H ASP 35 H ASP 35 5.009 8.465 -1.412
248 HA ASP 35 HA ASP 35 7.480 9.584 -2.209
249 HB2 ASP 35 HB2 ASP 35 4.634 9.996 -3.096
250 HB3 ASP 35 HB3 ASP 35 5.949 10.950 -3.777
251 H SER 36 H SER 36 4.783 10.811 -0.342
252 HA SER 36 HA SER 36 5.600 13.544 -0.398
253 HB2 SER 36 HB2 SER 36 3.906 13.895 1.306
254 HB3 SER 36 HB3 SER 36 3.265 12.811 0.071
255 HG SER 36 HG SER 36 3.309 12.363 2.617
256 H THR 37 H THR 37 5.907 10.936 1.994
257 HA THR 37 HA THR 37 7.191 12.374 4.003
258 HB THR 37 HB THR 37 7.757 9.482 3.345
259 HG1 THR 37 HG1 THR 37 5.613 10.585 4.872
260 HG21 THR 37 HG21 THR 37 9.098 9.766 5.132
261 HG22 THR 37 HG22 THR 37 7.597 9.711 6.056
262 HG23 THR 37 HG23 THR 37 8.304 11.265 5.613
263 H PHE 38 H PHE 38 8.396 11.171 0.983
264 HA PHE 38 HA PHE 38 11.164 11.224 1.644
265 HB2 PHE 38 HB2 PHE 38 9.988 10.027 -0.324
266 HB3 PHE 38 HB3 PHE 38 10.089 11.583 -1.141
267 HD1 PHE 38 HD1 PHE 38 12.222 9.122 0.664
268 HD2 PHE 38 HD2 PHE 38 11.965 12.086 -2.380
269 HE1 PHE 38 HE1 PHE 38 14.523 8.601 -0.033
270 HE2 PHE 38 HE2 PHE 38 14.266 11.568 -3.083
271 HZ PHE 38 HZ PHE 38 15.548 9.825 -1.908
272 H LYS 39 H LYS 39 8.876 13.587 0.467
273 HA LYS 39 HA LYS 39 10.542 15.538 -0.557
274 HB2 LYS 39 HB2 LYS 39 8.055 15.948 1.115
275 HB3 LYS 39 HB3 LYS 39 8.793 17.156 0.071
276 HG2 LYS 39 HG2 LYS 39 8.459 15.262 -1.745
277 HG3 LYS 39 HG3 LYS 39 7.185 14.765 -0.629
278 HD2 LYS 39 HD2 LYS 39 6.104 16.882 -0.798
279 HD3 LYS 39 HD3 LYS 39 7.471 17.578 -1.671
280 HE2 LYS 39 HE2 LYS 39 6.948 15.630 -3.364
281 HE3 LYS 39 HE3 LYS 39 5.350 15.714 -2.623
282 HZ1 LYS 39 HZ1 LYS 39 4.932 17.720 -3.535
283 HZ2 LYS 39 HZ2 LYS 39 6.058 17.204 -4.687
284 HZ3 LYS 39 HZ3 LYS 39 6.538 18.243 -3.441
285 H LYS 40 H LYS 40 9.645 14.960 2.824
286 HA LYS 40 HA LYS 40 11.057 17.175 3.883
287 HB2 LYS 40 HB2 LYS 40 9.918 14.654 5.036
288 HB3 LYS 40 HB3 LYS 40 10.950 15.677 6.027
289 HG2 LYS 40 HG2 LYS 40 8.904 16.519 6.567
290 HG3 LYS 40 HG3 LYS 40 9.315 17.563 5.204
291 HD2 LYS 40 HD2 LYS 40 8.118 15.661 3.826
292 HD3 LYS 40 HD3 LYS 40 7.334 15.343 5.375
293 HE2 LYS 40 HE2 LYS 40 7.456 18.137 4.330
294 HE3 LYS 40 HE3 LYS 40 6.272 17.014 3.663
295 HZ1 LYS 40 HZ1 LYS 40 5.561 16.598 6.010
296 HZ2 LYS 40 HZ2 LYS 40 5.229 18.152 5.431
297 HZ3 LYS 40 HZ3 LYS 40 6.533 17.901 6.479
298 H CYS 41 H CYS 41 11.869 13.708 3.741
299 HA CYS 41 HA CYS 41 14.391 13.858 4.906
300 HB2 CYS 41 HB2 CYS 41 13.364 11.717 4.547
301 HB3 CYS 41 HB3 CYS 41 13.309 11.975 2.806
302 H GLN 42 H GLN 42 13.366 14.519 1.618
303 HA GLN 42 HA GLN 42 15.819 14.528 0.315
304 HB2 GLN 42 HB2 GLN 42 13.205 15.876 -0.118
305 HB3 GLN 42 HB3 GLN 42 14.588 16.495 -1.011
306 HG2 GLN 42 HG2 GLN 42 14.996 14.203 -1.864
307 HG3 GLN 42 HG3 GLN 42 13.511 13.687 -1.067
308 HE21 GLN 42 HE21 GLN 42 14.595 14.193 -3.960
309 HE22 GLN 42 HE22 GLN 42 13.241 14.937 -4.734
310 H ASP 43 H ASP 43 14.287 17.033 2.267
311 HA ASP 43 HA ASP 43 16.228 19.042 1.714
312 HB2 ASP 43 HB2 ASP 43 13.912 19.499 2.539
313 HB3 ASP 43 HB3 ASP 43 14.386 18.844 4.104
314 H LEU 44 H LEU 44 15.836 16.626 4.253
315 HA LEU 44 HA LEU 44 17.824 17.505 6.003
316 HB2 LEU 44 HB2 LEU 44 17.094 14.639 5.432
317 HB3 LEU 44 HB3 LEU 44 17.829 15.274 6.902
318 HG LEU 44 HG LEU 44 15.010 15.734 5.936
319 HD11 LEU 44 HD11 LEU 44 15.840 14.517 8.539
320 HD12 LEU 44 HD12 LEU 44 15.752 13.537 7.076
321 HD13 LEU 44 HD13 LEU 44 14.313 14.366 7.669
322 HD21 LEU 44 HD21 LEU 44 16.683 17.288 7.724
323 HD22 LEU 44 HD22 LEU 44 15.230 16.687 8.524
324 HD23 LEU 44 HD23 LEU 44 15.093 17.657 7.056
325 H LEU 45 H LEU 45 18.055 15.107 3.378
326 HA LEU 45 HA LEU 45 20.841 14.699 3.652
327 HB2 LEU 45 HB2 LEU 45 19.029 14.249 1.286
328 HB3 LEU 45 HB3 LEU 45 20.684 13.657 1.418
329 HG LEU 45 HG LEU 45 18.365 12.829 3.163
330 HD11 LEU 45 HD11 LEU 45 19.183 10.589 1.933
331 HD12 LEU 45 HD12 LEU 45 19.532 11.769 0.670
332 HD13 LEU 45 HD13 LEU 45 17.897 11.624 1.314
333 HD21 LEU 45 HD21 LEU 45 20.495 11.029 3.381
334 HD22 LEU 45 HD22 LEU 45 19.909 12.151 4.609
335 HD23 LEU 45 HD23 LEU 45 21.213 12.634 3.523
336 H HIS 46 H HIS 46 18.936 17.084 2.002
337 HA HIS 46 HA HIS 46 21.340 18.135 0.675
338 HB2 HIS 46 HB2 HIS 46 19.436 17.707 -0.811
339 HB3 HIS 46 HB3 HIS 46 18.423 18.761 0.170
340 HD1 HIS 46 HD1 HIS 46 18.211 21.052 -0.717
341 HD2 HIS 46 HD2 HIS 46 21.778 19.272 -1.889
342 HE1 HIS 46 HE1 HIS 46 19.338 22.727 -2.217
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 1.387 -3.848 -0.272
2 HA ALA 1 HA ALA 1 1.673 -1.023 -0.705
3 HB1 ALA 1 HB1 ALA 1 3.695 -1.582 1.217
4 HB2 ALA 1 HB2 ALA 1 2.409 -0.376 1.284
5 HB3 ALA 1 HB3 ALA 1 2.128 -2.000 1.912
6 H ASP 2 H ASP 2 3.472 -0.530 -1.909
7 HA ASP 2 HA ASP 2 5.177 -2.814 -2.659
8 HB2 ASP 2 HB2 ASP 2 4.122 -0.503 -4.274
9 HB3 ASP 2 HB3 ASP 2 5.527 -1.425 -4.802
10 H ASN 3 H ASN 3 7.246 -2.671 -2.122
11 HA ASN 3 HA ASN 3 8.305 -0.243 -1.000
12 HB2 ASN 3 HB2 ASN 3 9.213 -3.062 -1.269
13 HB3 ASN 3 HB3 ASN 3 10.462 -1.833 -1.091
14 HD21 ASN 3 HD21 ASN 3 11.137 -1.899 0.927
15 HD22 ASN 3 HD22 ASN 3 10.132 -1.925 2.332
16 H LYS 4 H LYS 4 8.505 1.294 -2.581
17 HA LYS 4 HA LYS 4 9.452 0.903 -5.179
18 HB2 LYS 4 HB2 LYS 4 9.703 3.395 -3.484
19 HB3 LYS 4 HB3 LYS 4 9.813 3.322 -5.238
20 HG2 LYS 4 HG2 LYS 4 7.351 2.342 -3.864
21 HG3 LYS 4 HG3 LYS 4 7.603 4.073 -4.106
22 HD2 LYS 4 HD2 LYS 4 8.206 3.076 -6.571
23 HD3 LYS 4 HD3 LYS 4 6.936 1.971 -6.041
24 HE2 LYS 4 HE2 LYS 4 5.716 4.184 -5.359
25 HE3 LYS 4 HE3 LYS 4 6.818 4.914 -6.526
26 HZ1 LYS 4 HZ1 LYS 4 5.576 4.169 -8.183
27 HZ2 LYS 4 HZ2 LYS 4 4.432 3.633 -7.059
28 HZ3 LYS 4 HZ3 LYS 4 5.636 2.579 -7.607
29 H CYS 5 H CYS 5 11.146 1.262 -2.160
30 HA CYS 5 HA CYS 5 13.702 1.843 -3.305
31 HB2 CYS 5 HB2 CYS 5 14.564 1.362 -1.031
32 HB3 CYS 5 HB3 CYS 5 13.223 2.504 -1.019
33 H GLU 6 H GLU 6 11.886 -1.032 -2.677
34 HA GLU 6 HA GLU 6 13.945 -2.920 -2.514
35 HB2 GLU 6 HB2 GLU 6 11.606 -3.441 -1.992
36 HB3 GLU 6 HB3 GLU 6 11.175 -3.238 -3.684
37 HG2 GLU 6 HG2 GLU 6 11.425 -5.451 -3.791
38 HG3 GLU 6 HG3 GLU 6 13.148 -5.087 -3.867
39 H ASN 7 H ASN 7 12.481 -1.320 -5.262
40 HA ASN 7 HA ASN 7 14.060 -2.952 -7.114
41 HB2 ASN 7 HB2 ASN 7 11.689 -2.665 -7.660
42 HB3 ASN 7 HB3 ASN 7 11.888 -0.915 -7.656
43 HD21 ASN 7 HD21 ASN 7 11.737 -0.224 -9.661
44 HD22 ASN 7 HD22 ASN 7 12.524 -0.914 -11.035
45 H SER 8 H SER 8 13.821 0.244 -5.774
46 HA SER 8 HA SER 8 15.879 1.232 -7.620
47 HB2 SER 8 HB2 SER 8 13.807 2.549 -5.917
48 HB3 SER 8 HB3 SER 8 15.286 3.439 -6.277
49 HG SER 8 HG SER 8 13.370 3.570 -7.787
50 H LEU 9 H LEU 9 17.909 1.056 -6.969
51 HA LEU 9 HA LEU 9 18.650 0.458 -4.297
52 HB2 LEU 9 HB2 LEU 9 20.867 0.412 -5.065
53 HB3 LEU 9 HB3 LEU 9 19.886 -0.168 -6.410
54 HG LEU 9 HG LEU 9 20.045 2.405 -7.102
55 HD11 LEU 9 HD11 LEU 9 22.515 3.002 -6.672
56 HD12 LEU 9 HD12 LEU 9 22.388 1.889 -5.310
57 HD13 LEU 9 HD13 LEU 9 21.337 3.302 -5.394
58 HD21 LEU 9 HD21 LEU 9 20.666 0.724 -8.621
59 HD22 LEU 9 HD22 LEU 9 21.993 0.171 -7.598
60 HD23 LEU 9 HD23 LEU 9 22.107 1.723 -8.429
61 H ARG 10 H ARG 10 18.570 3.415 -6.195
62 HA ARG 10 HA ARG 10 20.036 5.035 -4.404
63 HB2 ARG 10 HB2 ARG 10 18.259 5.476 -6.731
64 HB3 ARG 10 HB3 ARG 10 18.428 6.828 -5.620
65 HG2 ARG 10 HG2 ARG 10 20.937 6.517 -5.862
66 HG3 ARG 10 HG3 ARG 10 20.561 5.460 -7.224
67 HD2 ARG 10 HD2 ARG 10 20.952 7.597 -8.148
68 HD3 ARG 10 HD3 ARG 10 19.203 7.372 -8.166
69 HE ARG 10 HE ARG 10 18.999 9.114 -6.694
70 HH11 ARG 10 HH11 ARG 10 22.316 8.061 -6.767
71 HH12 ARG 10 HH12 ARG 10 22.893 9.382 -5.807
72 HH21 ARG 10 HH21 ARG 10 19.747 10.858 -5.428
73 HH22 ARG 10 HH22 ARG 10 21.431 10.972 -5.045
74 H ARG 11 H ARG 11 16.557 4.446 -4.784
75 HA ARG 11 HA ARG 11 15.682 6.242 -2.810
76 HB2 ARG 11 HB2 ARG 11 14.182 5.245 -4.479
77 HB3 ARG 11 HB3 ARG 11 14.400 3.665 -3.737
78 HG2 ARG 11 HG2 ARG 11 12.406 4.291 -2.820
79 HG3 ARG 11 HG3 ARG 11 13.524 4.894 -1.595
80 HD2 ARG 11 HD2 ARG 11 12.246 6.759 -1.871
81 HD3 ARG 11 HD3 ARG 11 13.452 7.055 -3.123
82 HE ARG 11 HE ARG 11 11.189 5.598 -4.093
83 HH11 ARG 11 HH11 ARG 11 12.392 8.776 -3.337
84 HH12 ARG 11 HH12 ARG 11 11.330 9.583 -4.442
85 HH21 ARG 11 HH21 ARG 11 9.785 6.649 -5.551
86 HH22 ARG 11 HH22 ARG 11 9.846 8.373 -5.700
87 H GLU 12 H GLU 12 16.843 2.938 -2.627
88 HA GLU 12 HA GLU 12 16.036 2.484 0.069
89 HB2 GLU 12 HB2 GLU 12 16.709 0.783 -1.798
90 HB3 GLU 12 HB3 GLU 12 18.342 1.057 -1.209
91 HG2 GLU 12 HG2 GLU 12 16.242 0.404 0.780
92 HG3 GLU 12 HG3 GLU 12 16.818 -0.885 -0.275
93 H ILE 13 H ILE 13 19.120 3.384 -1.447
94 HA ILE 13 HA ILE 13 20.600 3.520 0.956
95 HB ILE 13 HB ILE 13 21.098 4.954 -1.655
96 HG12 ILE 13 HG12 ILE 13 22.474 2.460 -0.686
97 HG13 ILE 13 HG13 ILE 13 20.964 2.371 -1.586
98 HG21 ILE 13 HG21 ILE 13 22.409 6.066 -0.075
99 HG22 ILE 13 HG22 ILE 13 22.766 4.583 0.808
100 HG23 ILE 13 HG23 ILE 13 23.501 4.868 -0.769
101 HD11 ILE 13 HD11 ILE 13 22.288 3.921 -3.261
102 HD12 ILE 13 HD12 ILE 13 23.674 3.146 -2.494
103 HD13 ILE 13 HD13 ILE 13 22.445 2.165 -3.291
104 H ALA 14 H ALA 14 18.587 5.826 -0.747
105 HA ALA 14 HA ALA 14 19.426 8.130 0.692
106 HB1 ALA 14 HB1 ALA 14 17.893 9.281 -0.538
107 HB2 ALA 14 HB2 ALA 14 18.047 7.846 -1.552
108 HB3 ALA 14 HB3 ALA 14 16.686 7.999 -0.441
109 H CYS 15 H CYS 15 16.911 5.717 1.177
110 HA CYS 15 HA CYS 15 15.637 7.103 3.330
111 HB2 CYS 15 HB2 CYS 15 15.393 4.428 2.052
112 HB3 CYS 15 HB3 CYS 15 14.792 4.591 3.699
113 H GLY 16 H GLY 16 18.123 4.623 3.064
114 HA2 GLY 16 HA2 GLY 16 18.254 3.777 5.711
115 HA3 GLY 16 HA3 GLY 16 19.618 3.809 4.603
116 H GLN 17 H GLN 17 19.896 6.528 4.178
117 HA GLN 17 HA GLN 17 21.352 7.298 6.474
118 HB2 GLN 17 HB2 GLN 17 20.489 8.918 4.073
119 HB3 GLN 17 HB3 GLN 17 21.645 9.461 5.282
120 HG2 GLN 17 HG2 GLN 17 23.004 7.404 4.694
121 HG3 GLN 17 HG3 GLN 17 21.938 7.228 3.301
122 HE21 GLN 17 HE21 GLN 17 24.159 7.444 2.303
123 HE22 GLN 17 HE22 GLN 17 24.659 9.040 1.872
124 H CYS 18 H CYS 18 18.404 8.695 5.030
125 HA CYS 18 HA CYS 18 17.892 10.577 7.017
126 HB2 CYS 18 HB2 CYS 18 16.211 9.179 4.979
127 HB3 CYS 18 HB3 CYS 18 15.409 10.131 6.225
128 H ARG 19 H ARG 19 17.221 7.149 6.906
129 HA ARG 19 HA ARG 19 15.324 6.947 8.939
130 HB2 ARG 19 HB2 ARG 19 15.859 5.059 7.519
131 HB3 ARG 19 HB3 ARG 19 17.506 5.018 8.135
132 HG2 ARG 19 HG2 ARG 19 16.540 4.535 10.400
133 HG3 ARG 19 HG3 ARG 19 14.975 4.340 9.607
134 HD2 ARG 19 HD2 ARG 19 16.484 2.746 8.054
135 HD3 ARG 19 HD3 ARG 19 17.355 2.592 9.580
136 HE ARG 19 HE ARG 19 14.792 1.495 8.941
137 HH11 ARG 19 HH11 ARG 19 16.785 2.693 11.532
138 HH12 ARG 19 HH12 ARG 19 15.978 1.769 12.755
139 HH21 ARG 19 HH21 ARG 19 13.722 0.273 10.543
140 HH22 ARG 19 HH22 ARG 19 14.236 0.392 12.191
141 H ASP 20 H ASP 20 18.829 7.204 9.091
142 HA ASP 20 HA ASP 20 18.911 6.792 11.947
143 HB2 ASP 20 HB2 ASP 20 20.999 7.592 9.919
144 HB3 ASP 20 HB3 ASP 20 21.339 7.476 11.643
145 H LYS 21 H LYS 21 19.456 9.532 9.745
146 HA LYS 21 HA LYS 21 19.962 11.474 11.685
147 HB2 LYS 21 HB2 LYS 21 18.608 11.850 9.008
148 HB3 LYS 21 HB3 LYS 21 19.371 13.113 9.965
149 HG2 LYS 21 HG2 LYS 21 21.015 10.763 9.205
150 HG3 LYS 21 HG3 LYS 21 20.610 11.939 7.952
151 HD2 LYS 21 HD2 LYS 21 22.517 12.910 8.720
152 HD3 LYS 21 HD3 LYS 21 21.381 13.631 9.863
153 HE2 LYS 21 HE2 LYS 21 22.966 12.861 11.317
154 HE3 LYS 21 HE3 LYS 21 21.915 11.447 11.240
155 HZ1 LYS 21 HZ1 LYS 21 24.632 11.651 10.545
156 HZ2 LYS 21 HZ2 LYS 21 23.753 11.233 9.162
157 HZ3 LYS 21 HZ3 LYS 21 23.645 10.276 10.553
158 H VAL 22 H VAL 22 16.893 10.954 9.934
159 HA VAL 22 HA VAL 22 15.305 12.675 11.394
160 HB VAL 22 HB VAL 22 14.447 10.019 10.237
161 HG11 VAL 22 HG11 VAL 22 12.334 11.689 9.956
162 HG12 VAL 22 HG12 VAL 22 12.539 10.562 11.299
163 HG13 VAL 22 HG13 VAL 22 13.004 12.254 11.487
164 HG21 VAL 22 HG21 VAL 22 15.522 12.243 8.930
165 HG22 VAL 22 HG22 VAL 22 14.668 10.884 8.199
166 HG23 VAL 22 HG23 VAL 22 13.781 12.336 8.663
167 H LYS 23 H LYS 23 16.453 9.493 12.238
168 HA LYS 23 HA LYS 23 16.293 8.238 14.128
169 HB2 LYS 23 HB2 LYS 23 15.944 11.032 15.142
170 HB3 LYS 23 HB3 LYS 23 15.717 9.685 16.250
171 HG2 LYS 23 HG2 LYS 23 18.000 8.882 15.579
172 HG3 LYS 23 HG3 LYS 23 18.201 10.412 14.722
173 HD2 LYS 23 HD2 LYS 23 19.204 10.600 16.902
174 HD3 LYS 23 HD3 LYS 23 17.753 11.604 16.854
175 HE2 LYS 23 HE2 LYS 23 17.390 8.824 17.780
176 HE3 LYS 23 HE3 LYS 23 18.314 9.882 18.845
177 HZ1 LYS 23 HZ1 LYS 23 15.545 9.755 18.527
178 HZ2 LYS 23 HZ2 LYS 23 16.044 11.265 17.952
179 HZ3 LYS 23 HZ3 LYS 23 16.433 10.791 19.528
180 H THR 24 H THR 24 14.194 7.738 12.699
181 HA THR 24 HA THR 24 12.000 7.615 14.637
182 HB THR 24 HB THR 24 11.650 8.452 11.752
183 HG1 THR 24 HG1 THR 24 10.832 9.910 14.032
184 HG21 THR 24 HG21 THR 24 9.851 7.149 13.572
185 HG22 THR 24 HG22 THR 24 9.581 7.637 11.899
186 HG23 THR 24 HG23 THR 24 9.267 8.773 13.211
187 H ASP 25 H ASP 25 11.587 5.537 14.951
188 HA ASP 25 HA ASP 25 12.475 3.459 13.280
189 HB2 ASP 25 HB2 ASP 25 10.480 3.562 15.535
190 HB3 ASP 25 HB3 ASP 25 10.825 2.065 14.672
191 H GLY 26 H GLY 26 11.607 2.470 11.558
192 HA2 GLY 26 HA2 GLY 26 9.883 1.672 10.174
193 HA3 GLY 26 HA3 GLY 26 8.751 2.719 11.017
194 H TYR 27 H TYR 27 10.968 4.872 10.591
195 HA TYR 27 HA TYR 27 9.745 6.264 8.537
196 HB2 TYR 27 HB2 TYR 27 11.353 7.200 10.222
197 HB3 TYR 27 HB3 TYR 27 12.665 6.489 9.289
198 HD1 TYR 27 HD1 TYR 27 9.990 9.032 9.241
199 HD2 TYR 27 HD2 TYR 27 13.453 7.518 7.288
200 HE1 TYR 27 HE1 TYR 27 10.064 11.043 7.827
201 HE2 TYR 27 HE2 TYR 27 13.538 9.525 5.869
202 HH TYR 27 HH TYR 27 12.025 12.299 6.517
203 H PHE 28 H PHE 28 12.625 4.192 8.389
204 HA PHE 28 HA PHE 28 13.299 4.571 5.726
205 HB2 PHE 28 HB2 PHE 28 14.787 3.360 7.163
206 HB3 PHE 28 HB3 PHE 28 13.569 2.129 7.483
207 HD1 PHE 28 HD1 PHE 28 13.037 0.440 5.814
208 HD2 PHE 28 HD2 PHE 28 16.069 3.349 5.134
209 HE1 PHE 28 HE1 PHE 28 13.907 -0.908 3.949
210 HE2 PHE 28 HE2 PHE 28 16.943 2.007 3.267
211 HZ PHE 28 HZ PHE 28 15.862 -0.124 2.671
212 H TYR 29 H TYR 29 11.022 2.254 7.145
213 HA TYR 29 HA TYR 29 10.322 1.093 4.624
214 HB2 TYR 29 HB2 TYR 29 10.127 -0.198 6.688
215 HB3 TYR 29 HB3 TYR 29 8.943 0.945 7.313
216 HD1 TYR 29 HD1 TYR 29 9.529 -1.743 4.875
217 HD2 TYR 29 HD2 TYR 29 6.653 0.891 6.576
218 HE1 TYR 29 HE1 TYR 29 7.723 -3.068 3.859
219 HE2 TYR 29 HE2 TYR 29 4.839 -0.427 5.566
220 HH TYR 29 HH TYR 29 5.488 -3.010 3.299
221 H GLU 30 H GLU 30 9.281 3.833 6.439
222 HA GLU 30 HA GLU 30 6.697 4.082 5.234
223 HB2 GLU 30 HB2 GLU 30 7.131 5.075 7.409
224 HB3 GLU 30 HB3 GLU 30 8.398 6.085 6.727
225 HG2 GLU 30 HG2 GLU 30 6.792 7.313 5.428
226 HG3 GLU 30 HG3 GLU 30 5.497 6.234 5.944
227 H CYS 31 H CYS 31 9.751 5.878 4.841
228 HA CYS 31 HA CYS 31 8.887 7.460 2.684
229 HB2 CYS 31 HB2 CYS 31 11.308 7.851 2.279
230 HB3 CYS 31 HB3 CYS 31 10.847 8.077 3.963
231 H CYS 32 H CYS 32 10.079 4.202 2.854
232 HA CYS 32 HA CYS 32 10.903 3.848 0.197
233 HB2 CYS 32 HB2 CYS 32 10.066 2.065 2.421
234 HB3 CYS 32 HB3 CYS 32 10.034 1.380 0.799
235 H THR 33 H THR 33 7.759 4.091 1.602
236 HA THR 33 HA THR 33 6.570 3.581 -1.041
237 HB THR 33 HB THR 33 4.637 2.524 -0.034
238 HG1 THR 33 HG1 THR 33 5.959 2.580 2.476
239 HG21 THR 33 HG21 THR 33 5.581 0.470 0.177
240 HG22 THR 33 HG22 THR 33 6.778 1.022 1.348
241 HG23 THR 33 HG23 THR 33 7.019 1.329 -0.371
242 H SER 34 H SER 34 7.344 6.007 0.634
243 HA SER 34 HA SER 34 4.740 7.363 0.418
244 HB2 SER 34 HB2 SER 34 6.811 7.717 2.596
245 HB3 SER 34 HB3 SER 34 5.428 8.785 2.363
246 HG SER 34 HG SER 34 5.366 6.012 2.964
247 H ASP 35 H ASP 35 5.022 8.488 -1.422
248 HA ASP 35 HA ASP 35 7.474 9.605 -2.277
249 HB2 ASP 35 HB2 ASP 35 5.532 9.041 -3.762
250 HB3 ASP 35 HB3 ASP 35 4.696 10.451 -3.118
251 H SER 36 H SER 36 4.874 10.798 -0.283
252 HA SER 36 HA SER 36 5.631 13.549 -0.401
253 HB2 SER 36 HB2 SER 36 3.996 12.168 1.737
254 HB3 SER 36 HB3 SER 36 4.013 13.891 1.361
255 HG SER 36 HG SER 36 2.523 13.488 -0.047
256 H THR 37 H THR 37 6.221 10.901 1.871
257 HA THR 37 HA THR 37 7.565 12.397 3.835
258 HB THR 37 HB THR 37 8.034 9.489 3.155
259 HG1 THR 37 HG1 THR 37 5.985 10.806 4.587
260 HG21 THR 37 HG21 THR 37 8.330 9.543 5.768
261 HG22 THR 37 HG22 THR 37 8.711 11.240 5.475
262 HG23 THR 37 HG23 THR 37 9.667 9.976 4.703
263 H PHE 38 H PHE 38 8.591 11.142 0.766
264 HA PHE 38 HA PHE 38 11.379 11.142 1.210
265 HB2 PHE 38 HB2 PHE 38 9.968 10.154 -0.758
266 HB3 PHE 38 HB3 PHE 38 10.193 11.745 -1.478
267 HD1 PHE 38 HD1 PHE 38 12.196 9.063 0.167
268 HD2 PHE 38 HD2 PHE 38 12.003 12.058 -2.851
269 HE1 PHE 38 HE1 PHE 38 14.408 8.369 -0.658
270 HE2 PHE 38 HE2 PHE 38 14.214 11.370 -3.681
271 HZ PHE 38 HZ PHE 38 15.420 9.522 -2.585
272 H LYS 39 H LYS 39 9.114 13.636 0.217
273 HA LYS 39 HA LYS 39 10.823 15.588 -0.724
274 HB2 LYS 39 HB2 LYS 39 8.249 15.755 0.824
275 HB3 LYS 39 HB3 LYS 39 9.098 17.206 0.309
276 HG2 LYS 39 HG2 LYS 39 8.995 16.313 -2.035
277 HG3 LYS 39 HG3 LYS 39 7.920 15.052 -1.426
278 HD2 LYS 39 HD2 LYS 39 7.245 17.854 -0.733
279 HD3 LYS 39 HD3 LYS 39 7.022 17.366 -2.415
280 HE2 LYS 39 HE2 LYS 39 5.824 15.303 -1.344
281 HE3 LYS 39 HE3 LYS 39 5.668 16.367 0.053
282 HZ1 LYS 39 HZ1 LYS 39 4.027 17.459 -0.931
283 HZ2 LYS 39 HZ2 LYS 39 4.026 16.287 -2.150
284 HZ3 LYS 39 HZ3 LYS 39 4.928 17.705 -2.342
285 H LYS 40 H LYS 40 9.744 15.150 2.646
286 HA LYS 40 HA LYS 40 11.323 17.173 3.762
287 HB2 LYS 40 HB2 LYS 40 9.983 14.725 4.828
288 HB3 LYS 40 HB3 LYS 40 11.121 15.581 5.861
289 HG2 LYS 40 HG2 LYS 40 9.098 16.527 6.438
290 HG3 LYS 40 HG3 LYS 40 9.734 17.675 5.258
291 HD2 LYS 40 HD2 LYS 40 8.378 16.608 3.509
292 HD3 LYS 40 HD3 LYS 40 7.727 15.488 4.708
293 HE2 LYS 40 HE2 LYS 40 7.470 18.486 4.883
294 HE3 LYS 40 HE3 LYS 40 6.246 17.434 4.175
295 HZ1 LYS 40 HZ1 LYS 40 6.588 16.248 6.518
296 HZ2 LYS 40 HZ2 LYS 40 5.455 17.479 6.270
297 HZ3 LYS 40 HZ3 LYS 40 6.955 17.838 6.966
298 H CYS 41 H CYS 41 11.969 13.697 3.404
299 HA CYS 41 HA CYS 41 14.453 13.627 4.666
300 HB2 CYS 41 HB2 CYS 41 13.335 11.574 4.121
301 HB3 CYS 41 HB3 CYS 41 13.346 11.960 2.404
302 H GLN 42 H GLN 42 13.588 14.472 1.359
303 HA GLN 42 HA GLN 42 16.192 14.549 0.294
304 HB2 GLN 42 HB2 GLN 42 13.567 15.758 -0.481
305 HB3 GLN 42 HB3 GLN 42 15.029 16.278 -1.307
306 HG2 GLN 42 HG2 GLN 42 15.480 13.856 -1.803
307 HG3 GLN 42 HG3 GLN 42 13.860 13.513 -1.199
308 HE21 GLN 42 HE21 GLN 42 12.073 14.213 -2.370
309 HE22 GLN 42 HE22 GLN 42 12.192 14.700 -4.023
310 H ASP 43 H ASP 43 14.343 16.843 2.167
311 HA ASP 43 HA ASP 43 15.998 19.102 1.653
312 HB2 ASP 43 HB2 ASP 43 13.572 18.966 2.633
313 HB3 ASP 43 HB3 ASP 43 14.407 18.810 4.176
314 H LEU 44 H LEU 44 15.928 16.618 4.158
315 HA LEU 44 HA LEU 44 17.860 17.754 5.860
316 HB2 LEU 44 HB2 LEU 44 17.377 14.812 5.458
317 HB3 LEU 44 HB3 LEU 44 18.005 15.613 6.897
318 HG LEU 44 HG LEU 44 15.185 15.832 5.843
319 HD11 LEU 44 HD11 LEU 44 15.715 13.631 6.794
320 HD12 LEU 44 HD12 LEU 44 14.566 14.526 7.788
321 HD13 LEU 44 HD13 LEU 44 16.256 14.414 8.279
322 HD21 LEU 44 HD21 LEU 44 15.381 17.813 6.943
323 HD22 LEU 44 HD22 LEU 44 16.691 17.239 7.977
324 HD23 LEU 44 HD23 LEU 44 15.025 16.773 8.322
325 H LEU 45 H LEU 45 18.192 15.254 3.342
326 HA LEU 45 HA LEU 45 20.982 14.982 3.555
327 HB2 LEU 45 HB2 LEU 45 19.166 14.493 1.199
328 HB3 LEU 45 HB3 LEU 45 20.843 13.962 1.307
329 HG LEU 45 HG LEU 45 18.542 13.015 3.014
330 HD11 LEU 45 HD11 LEU 45 20.192 11.250 1.283
331 HD12 LEU 45 HD12 LEU 45 18.958 12.256 0.525
332 HD13 LEU 45 HD13 LEU 45 18.505 11.099 1.776
333 HD21 LEU 45 HD21 LEU 45 20.528 13.082 4.364
334 HD22 LEU 45 HD22 LEU 45 21.475 12.317 3.087
335 HD23 LEU 45 HD23 LEU 45 20.208 11.407 3.912
336 H HIS 46 H HIS 46 18.992 17.335 1.972
337 HA HIS 46 HA HIS 46 21.415 18.598 0.867
338 HB2 HIS 46 HB2 HIS 46 18.680 18.270 -0.309
339 HB3 HIS 46 HB3 HIS 46 19.640 19.682 -0.741
340 HD1 HIS 46 HD1 HIS 46 21.269 19.374 -2.593
341 HD2 HIS 46 HD2 HIS 46 20.062 15.753 -0.952
342 HE1 HIS 46 HE1 HIS 46 22.297 17.600 -4.049
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 1.577 -4.700 1.032
2 HA ALA 1 HA ALA 1 1.272 -2.310 -0.517
3 HB1 ALA 1 HB1 ALA 1 2.534 -3.054 1.920
4 HB2 ALA 1 HB2 ALA 1 3.728 -2.262 0.891
5 HB3 ALA 1 HB3 ALA 1 2.221 -1.437 1.287
6 H ASP 2 H ASP 2 3.473 -1.280 -1.303
7 HA ASP 2 HA ASP 2 4.970 -3.277 -2.856
8 HB2 ASP 2 HB2 ASP 2 3.494 -0.874 -3.862
9 HB3 ASP 2 HB3 ASP 2 4.965 -1.388 -4.684
10 H ASN 3 H ASN 3 7.080 -3.091 -2.534
11 HA ASN 3 HA ASN 3 8.131 -0.662 -1.314
12 HB2 ASN 3 HB2 ASN 3 8.682 -2.915 -0.379
13 HB3 ASN 3 HB3 ASN 3 9.554 -3.274 -1.866
14 HD21 ASN 3 HD21 ASN 3 11.070 -3.548 0.172
15 HD22 ASN 3 HD22 ASN 3 12.114 -2.199 0.446
16 H LYS 4 H LYS 4 8.826 0.898 -2.607
17 HA LYS 4 HA LYS 4 9.618 0.369 -5.329
18 HB2 LYS 4 HB2 LYS 4 9.360 2.859 -3.662
19 HB3 LYS 4 HB3 LYS 4 10.109 2.904 -5.252
20 HG2 LYS 4 HG2 LYS 4 8.149 2.711 -6.323
21 HG3 LYS 4 HG3 LYS 4 7.506 1.554 -5.155
22 HD2 LYS 4 HD2 LYS 4 6.738 3.218 -3.737
23 HD3 LYS 4 HD3 LYS 4 7.853 4.424 -4.383
24 HE2 LYS 4 HE2 LYS 4 5.959 5.149 -5.400
25 HE3 LYS 4 HE3 LYS 4 6.440 3.944 -6.593
26 HZ1 LYS 4 HZ1 LYS 4 4.888 2.415 -5.761
27 HZ2 LYS 4 HZ2 LYS 4 4.053 3.884 -5.836
28 HZ3 LYS 4 HZ3 LYS 4 4.617 3.307 -4.349
29 H CYS 5 H CYS 5 11.181 1.072 -2.282
30 HA CYS 5 HA CYS 5 13.693 1.872 -3.113
31 HB2 CYS 5 HB2 CYS 5 12.852 0.189 -0.752
32 HB3 CYS 5 HB3 CYS 5 14.504 0.756 -0.979
33 H GLU 6 H GLU 6 12.383 -1.400 -2.833
34 HA GLU 6 HA GLU 6 14.716 -2.846 -3.309
35 HB2 GLU 6 HB2 GLU 6 12.128 -3.507 -2.840
36 HB3 GLU 6 HB3 GLU 6 12.252 -3.905 -4.547
37 HG2 GLU 6 HG2 GLU 6 12.912 -5.891 -3.724
38 HG3 GLU 6 HG3 GLU 6 14.481 -5.088 -3.681
39 H ASN 7 H ASN 7 12.711 -1.025 -5.475
40 HA ASN 7 HA ASN 7 14.008 -2.166 -7.830
41 HB2 ASN 7 HB2 ASN 7 11.851 -0.050 -7.656
42 HB3 ASN 7 HB3 ASN 7 12.404 -0.854 -9.122
43 HD21 ASN 7 HD21 ASN 7 12.391 -3.373 -8.788
44 HD22 ASN 7 HD22 ASN 7 10.890 -3.995 -8.197
45 H SER 8 H SER 8 14.042 0.673 -5.834
46 HA SER 8 HA SER 8 15.941 1.953 -7.687
47 HB2 SER 8 HB2 SER 8 14.142 3.452 -7.425
48 HB3 SER 8 HB3 SER 8 13.995 3.111 -5.701
49 HG SER 8 HG SER 8 15.976 4.620 -7.037
50 H LEU 9 H LEU 9 17.951 1.479 -7.074
51 HA LEU 9 HA LEU 9 18.738 0.737 -4.482
52 HB2 LEU 9 HB2 LEU 9 20.932 0.711 -5.289
53 HB3 LEU 9 HB3 LEU 9 19.929 0.300 -6.678
54 HG LEU 9 HG LEU 9 20.145 2.932 -7.087
55 HD11 LEU 9 HD11 LEU 9 22.765 3.198 -6.619
56 HD12 LEU 9 HD12 LEU 9 22.323 2.213 -5.225
57 HD13 LEU 9 HD13 LEU 9 21.524 3.761 -5.499
58 HD21 LEU 9 HD21 LEU 9 22.355 2.206 -8.362
59 HD22 LEU 9 HD22 LEU 9 20.757 1.670 -8.878
60 HD23 LEU 9 HD23 LEU 9 21.779 0.600 -7.918
61 H ARG 10 H ARG 10 18.648 3.847 -6.112
62 HA ARG 10 HA ARG 10 20.136 5.268 -4.147
63 HB2 ARG 10 HB2 ARG 10 18.352 6.045 -6.424
64 HB3 ARG 10 HB3 ARG 10 18.849 7.263 -5.257
65 HG2 ARG 10 HG2 ARG 10 21.227 6.579 -5.729
66 HG3 ARG 10 HG3 ARG 10 20.594 5.624 -7.071
67 HD2 ARG 10 HD2 ARG 10 19.464 8.234 -7.200
68 HD3 ARG 10 HD3 ARG 10 21.210 8.389 -7.006
69 HE ARG 10 HE ARG 10 21.497 7.514 -9.111
70 HH11 ARG 10 HH11 ARG 10 18.202 7.047 -8.089
71 HH12 ARG 10 HH12 ARG 10 17.655 6.525 -9.647
72 HH21 ARG 10 HH21 ARG 10 20.789 6.828 -11.168
73 HH22 ARG 10 HH22 ARG 10 19.127 6.400 -11.398
74 H ARG 11 H ARG 11 16.687 4.712 -4.691
75 HA ARG 11 HA ARG 11 15.709 6.439 -2.706
76 HB2 ARG 11 HB2 ARG 11 14.348 5.370 -4.512
77 HB3 ARG 11 HB3 ARG 11 14.458 3.850 -3.634
78 HG2 ARG 11 HG2 ARG 11 12.408 4.639 -2.963
79 HG3 ARG 11 HG3 ARG 11 13.456 5.220 -1.667
80 HD2 ARG 11 HD2 ARG 11 12.233 7.111 -2.155
81 HD3 ARG 11 HD3 ARG 11 13.661 7.343 -3.163
82 HE ARG 11 HE ARG 11 12.318 7.210 -5.001
83 HH11 ARG 11 HH11 ARG 11 10.655 5.776 -2.299
84 HH12 ARG 11 HH12 ARG 11 9.174 5.540 -3.168
85 HH21 ARG 11 HH21 ARG 11 10.375 6.904 -6.156
86 HH22 ARG 11 HH22 ARG 11 9.017 6.181 -5.362
87 H GLU 12 H GLU 12 16.792 3.088 -2.578
88 HA GLU 12 HA GLU 12 15.955 2.634 0.110
89 HB2 GLU 12 HB2 GLU 12 16.396 0.851 -1.618
90 HB3 GLU 12 HB3 GLU 12 18.113 1.160 -1.401
91 HG2 GLU 12 HG2 GLU 12 16.517 0.585 1.024
92 HG3 GLU 12 HG3 GLU 12 16.825 -0.748 -0.087
93 H ILE 13 H ILE 13 19.126 3.290 -1.369
94 HA ILE 13 HA ILE 13 20.616 3.333 0.998
95 HB ILE 13 HB ILE 13 21.112 4.881 -1.548
96 HG12 ILE 13 HG12 ILE 13 22.499 2.345 -0.744
97 HG13 ILE 13 HG13 ILE 13 20.925 2.274 -1.528
98 HG21 ILE 13 HG21 ILE 13 23.541 4.282 -0.352
99 HG22 ILE 13 HG22 ILE 13 22.757 5.860 -0.413
100 HG23 ILE 13 HG23 ILE 13 22.514 4.809 0.981
101 HD11 ILE 13 HD11 ILE 13 23.388 3.585 -2.653
102 HD12 ILE 13 HD12 ILE 13 22.738 2.015 -3.126
103 HD13 ILE 13 HD13 ILE 13 21.813 3.483 -3.441
104 H ALA 14 H ALA 14 18.690 5.815 -0.567
105 HA ALA 14 HA ALA 14 19.617 7.990 1.012
106 HB1 ALA 14 HB1 ALA 14 18.613 8.874 -0.799
107 HB2 ALA 14 HB2 ALA 14 17.476 7.534 -0.956
108 HB3 ALA 14 HB3 ALA 14 17.174 8.814 0.220
109 H CYS 15 H CYS 15 16.767 5.879 1.216
110 HA CYS 15 HA CYS 15 15.593 7.112 3.452
111 HB2 CYS 15 HB2 CYS 15 15.318 4.497 2.069
112 HB3 CYS 15 HB3 CYS 15 14.706 4.591 3.717
113 H GLY 16 H GLY 16 17.962 4.502 3.175
114 HA2 GLY 16 HA2 GLY 16 18.035 3.615 5.798
115 HA3 GLY 16 HA3 GLY 16 19.420 3.626 4.717
116 H GLN 17 H GLN 17 19.744 6.375 4.369
117 HA GLN 17 HA GLN 17 21.209 7.030 6.699
118 HB2 GLN 17 HB2 GLN 17 20.395 8.813 4.398
119 HB3 GLN 17 HB3 GLN 17 21.640 9.175 5.586
120 HG2 GLN 17 HG2 GLN 17 22.888 7.180 4.811
121 HG3 GLN 17 HG3 GLN 17 21.677 6.962 3.549
122 HE21 GLN 17 HE21 GLN 17 22.153 7.807 1.660
123 HE22 GLN 17 HE22 GLN 17 23.234 9.124 1.373
124 H CYS 18 H CYS 18 18.303 8.533 5.279
125 HA CYS 18 HA CYS 18 17.820 10.370 7.314
126 HB2 CYS 18 HB2 CYS 18 16.169 9.097 5.189
127 HB3 CYS 18 HB3 CYS 18 15.319 9.931 6.486
128 H ARG 19 H ARG 19 17.077 6.962 7.105
129 HA ARG 19 HA ARG 19 15.166 6.749 9.126
130 HB2 ARG 19 HB2 ARG 19 15.584 4.866 7.716
131 HB3 ARG 19 HB3 ARG 19 17.280 4.819 8.177
132 HG2 ARG 19 HG2 ARG 19 16.617 4.201 10.465
133 HG3 ARG 19 HG3 ARG 19 14.930 4.183 9.947
134 HD2 ARG 19 HD2 ARG 19 15.148 2.216 8.860
135 HD3 ARG 19 HD3 ARG 19 16.783 2.584 8.310
136 HE ARG 19 HE ARG 19 17.619 1.538 10.177
137 HH11 ARG 19 HH11 ARG 19 14.194 2.034 10.551
138 HH12 ARG 19 HH12 ARG 19 14.075 1.052 11.974
139 HH21 ARG 19 HH21 ARG 19 17.476 0.243 12.049
140 HH22 ARG 19 HH22 ARG 19 15.942 0.034 12.825
141 H ASP 20 H ASP 20 18.675 6.915 9.294
142 HA ASP 20 HA ASP 20 18.738 6.420 12.137
143 HB2 ASP 20 HB2 ASP 20 20.904 7.350 10.239
144 HB3 ASP 20 HB3 ASP 20 21.159 6.898 11.922
145 H LYS 21 H LYS 21 19.357 9.207 10.015
146 HA LYS 21 HA LYS 21 19.903 11.079 12.014
147 HB2 LYS 21 HB2 LYS 21 18.851 11.299 9.211
148 HB3 LYS 21 HB3 LYS 21 18.975 12.730 10.226
149 HG2 LYS 21 HG2 LYS 21 21.308 10.904 9.749
150 HG3 LYS 21 HG3 LYS 21 20.915 12.243 8.668
151 HD2 LYS 21 HD2 LYS 21 20.914 13.672 10.825
152 HD3 LYS 21 HD3 LYS 21 21.802 12.319 11.530
153 HE2 LYS 21 HE2 LYS 21 23.604 12.591 10.061
154 HE3 LYS 21 HE3 LYS 21 22.661 13.577 8.945
155 HZ1 LYS 21 HZ1 LYS 21 22.602 14.954 11.308
156 HZ2 LYS 21 HZ2 LYS 21 23.553 15.321 9.958
157 HZ3 LYS 21 HZ3 LYS 21 24.192 14.381 11.211
158 H VAL 22 H VAL 22 16.833 10.693 10.232
159 HA VAL 22 HA VAL 22 15.285 12.408 11.747
160 HB VAL 22 HB VAL 22 14.349 9.828 10.482
161 HG11 VAL 22 HG11 VAL 22 12.425 10.395 11.480
162 HG12 VAL 22 HG12 VAL 22 12.981 12.032 11.835
163 HG13 VAL 22 HG13 VAL 22 12.325 11.647 10.243
164 HG21 VAL 22 HG21 VAL 22 13.764 12.175 8.953
165 HG22 VAL 22 HG22 VAL 22 15.496 12.102 9.278
166 HG23 VAL 22 HG23 VAL 22 14.690 10.747 8.488
167 H LYS 23 H LYS 23 16.352 9.175 12.476
168 HA LYS 23 HA LYS 23 16.139 7.847 14.311
169 HB2 LYS 23 HB2 LYS 23 15.684 10.569 15.520
170 HB3 LYS 23 HB3 LYS 23 15.700 9.108 16.499
171 HG2 LYS 23 HG2 LYS 23 18.000 8.694 15.348
172 HG3 LYS 23 HG3 LYS 23 17.933 10.429 15.030
173 HD2 LYS 23 HD2 LYS 23 17.485 9.295 17.777
174 HD3 LYS 23 HD3 LYS 23 19.101 9.669 17.172
175 HE2 LYS 23 HE2 LYS 23 18.244 11.992 16.682
176 HE3 LYS 23 HE3 LYS 23 16.793 11.559 17.585
177 HZ1 LYS 23 HZ1 LYS 23 18.969 10.861 19.161
178 HZ2 LYS 23 HZ2 LYS 23 17.862 12.112 19.426
179 HZ3 LYS 23 HZ3 LYS 23 19.290 12.414 18.570
180 H THR 24 H THR 24 14.016 7.551 12.788
181 HA THR 24 HA THR 24 11.799 7.377 14.707
182 HB THR 24 HB THR 24 11.525 8.298 11.839
183 HG1 THR 24 HG1 THR 24 10.740 9.703 14.172
184 HG21 THR 24 HG21 THR 24 9.533 7.426 13.893
185 HG22 THR 24 HG22 THR 24 9.588 7.074 12.166
186 HG23 THR 24 HG23 THR 24 9.097 8.672 12.724
187 H ASP 25 H ASP 25 11.329 5.302 14.955
188 HA ASP 25 HA ASP 25 12.196 3.250 13.238
189 HB2 ASP 25 HB2 ASP 25 10.062 3.251 15.380
190 HB3 ASP 25 HB3 ASP 25 10.657 1.799 14.579
191 H GLY 26 H GLY 26 11.328 2.334 11.477
192 HA2 GLY 26 HA2 GLY 26 9.599 1.611 10.055
193 HA3 GLY 26 HA3 GLY 26 8.485 2.668 10.910
194 H TYR 27 H TYR 27 10.736 4.786 10.576
195 HA TYR 27 HA TYR 27 9.586 6.249 8.534
196 HB2 TYR 27 HB2 TYR 27 11.187 7.106 10.269
197 HB3 TYR 27 HB3 TYR 27 12.498 6.393 9.335
198 HD1 TYR 27 HD1 TYR 27 9.914 9.018 9.364
199 HD2 TYR 27 HD2 TYR 27 13.297 7.431 7.329
200 HE1 TYR 27 HE1 TYR 27 10.050 11.064 8.005
201 HE2 TYR 27 HE2 TYR 27 13.443 9.473 5.965
202 HH TYR 27 HH TYR 27 11.113 12.126 6.377
203 H PHE 28 H PHE 28 12.405 4.099 8.383
204 HA PHE 28 HA PHE 28 13.148 4.531 5.746
205 HB2 PHE 28 HB2 PHE 28 14.570 3.233 7.169
206 HB3 PHE 28 HB3 PHE 28 13.305 2.039 7.444
207 HD1 PHE 28 HD1 PHE 28 15.825 3.268 5.100
208 HD2 PHE 28 HD2 PHE 28 12.796 0.359 5.790
209 HE1 PHE 28 HE1 PHE 28 16.680 1.936 3.216
210 HE2 PHE 28 HE2 PHE 28 13.646 -0.978 3.908
211 HZ PHE 28 HZ PHE 28 15.590 -0.189 2.617
212 H TYR 29 H TYR 29 10.777 2.239 7.050
213 HA TYR 29 HA TYR 29 10.090 1.181 4.480
214 HB2 TYR 29 HB2 TYR 29 9.846 -0.025 6.696
215 HB3 TYR 29 HB3 TYR 29 8.449 0.998 7.009
216 HD1 TYR 29 HD1 TYR 29 9.791 -1.659 4.829
217 HD2 TYR 29 HD2 TYR 29 6.351 0.580 5.952
218 HE1 TYR 29 HE1 TYR 29 8.367 -3.237 3.591
219 HE2 TYR 29 HE2 TYR 29 4.917 -0.993 4.718
220 HH TYR 29 HH TYR 29 5.737 -3.934 3.850
221 H GLU 30 H GLU 30 9.085 3.884 6.375
222 HA GLU 30 HA GLU 30 6.535 4.248 5.130
223 HB2 GLU 30 HB2 GLU 30 7.055 5.143 7.370
224 HB3 GLU 30 HB3 GLU 30 8.238 6.228 6.653
225 HG2 GLU 30 HG2 GLU 30 6.600 7.523 5.616
226 HG3 GLU 30 HG3 GLU 30 5.367 6.278 5.805
227 H CYS 31 H CYS 31 9.645 5.970 4.852
228 HA CYS 31 HA CYS 31 8.864 7.645 2.734
229 HB2 CYS 31 HB2 CYS 31 11.300 7.988 2.388
230 HB3 CYS 31 HB3 CYS 31 10.817 8.162 4.072
231 H CYS 32 H CYS 32 9.965 4.352 2.816
232 HA CYS 32 HA CYS 32 10.774 4.106 0.121
233 HB2 CYS 32 HB2 CYS 32 10.042 2.226 2.311
234 HB3 CYS 32 HB3 CYS 32 10.035 1.598 0.666
235 H THR 33 H THR 33 7.673 4.189 1.644
236 HA THR 33 HA THR 33 6.409 3.626 -0.959
237 HB THR 33 HB THR 33 4.528 2.597 0.129
238 HG1 THR 33 HG1 THR 33 5.856 3.008 2.616
239 HG21 THR 33 HG21 THR 33 5.573 0.628 0.256
240 HG22 THR 33 HG22 THR 33 6.444 1.116 1.710
241 HG23 THR 33 HG23 THR 33 7.094 1.508 0.119
242 H SER 34 H SER 34 7.242 6.128 0.590
243 HA SER 34 HA SER 34 4.669 7.513 0.279
244 HB2 SER 34 HB2 SER 34 5.334 7.069 2.727
245 HB3 SER 34 HB3 SER 34 6.604 8.263 2.465
246 HG SER 34 HG SER 34 5.141 9.720 2.782
247 H ASP 35 H ASP 35 5.043 8.662 -1.518
248 HA ASP 35 HA ASP 35 7.560 9.695 -2.285
249 HB2 ASP 35 HB2 ASP 35 5.354 9.239 -3.665
250 HB3 ASP 35 HB3 ASP 35 5.027 10.928 -3.283
251 H SER 36 H SER 36 4.870 11.028 -0.472
252 HA SER 36 HA SER 36 5.735 13.729 -0.520
253 HB2 SER 36 HB2 SER 36 4.140 12.646 1.769
254 HB3 SER 36 HB3 SER 36 3.961 14.171 0.902
255 HG SER 36 HG SER 36 3.211 12.900 -0.901
256 H THR 37 H THR 37 6.133 11.109 1.839
257 HA THR 37 HA THR 37 7.505 12.569 3.794
258 HB THR 37 HB THR 37 7.879 9.637 3.161
259 HG1 THR 37 HG1 THR 37 6.019 10.850 4.947
260 HG21 THR 37 HG21 THR 37 9.539 10.272 4.709
261 HG22 THR 37 HG22 THR 37 8.245 9.581 5.688
262 HG23 THR 37 HG23 THR 37 8.434 11.331 5.584
263 H PHE 38 H PHE 38 8.556 11.262 0.761
264 HA PHE 38 HA PHE 38 11.334 11.169 1.281
265 HB2 PHE 38 HB2 PHE 38 10.005 10.141 -0.682
266 HB3 PHE 38 HB3 PHE 38 10.162 11.726 -1.433
267 HD1 PHE 38 HD1 PHE 38 12.282 9.155 0.243
268 HD2 PHE 38 HD2 PHE 38 11.948 12.086 -2.825
269 HE1 PHE 38 HE1 PHE 38 14.514 8.535 -0.587
270 HE2 PHE 38 HE2 PHE 38 14.179 11.470 -3.661
271 HZ PHE 38 HZ PHE 38 15.465 9.694 -2.541
272 H LYS 39 H LYS 39 9.162 13.721 0.274
273 HA LYS 39 HA LYS 39 10.961 15.600 -0.688
274 HB2 LYS 39 HB2 LYS 39 8.370 15.912 0.820
275 HB3 LYS 39 HB3 LYS 39 9.268 17.294 0.205
276 HG2 LYS 39 HG2 LYS 39 9.020 16.525 -2.053
277 HG3 LYS 39 HG3 LYS 39 8.281 15.020 -1.502
278 HD2 LYS 39 HD2 LYS 39 6.306 16.076 -0.873
279 HD3 LYS 39 HD3 LYS 39 7.071 17.664 -0.780
280 HE2 LYS 39 HE2 LYS 39 7.404 17.497 -3.285
281 HE3 LYS 39 HE3 LYS 39 6.336 16.096 -3.242
282 HZ1 LYS 39 HZ1 LYS 39 5.573 18.769 -2.209
283 HZ2 LYS 39 HZ2 LYS 39 4.563 17.433 -2.441
284 HZ3 LYS 39 HZ3 LYS 39 5.221 18.237 -3.776
285 H LYS 40 H LYS 40 9.771 15.250 2.655
286 HA LYS 40 HA LYS 40 11.343 17.248 3.801
287 HB2 LYS 40 HB2 LYS 40 9.932 14.832 4.817
288 HB3 LYS 40 HB3 LYS 40 11.111 15.589 5.879
289 HG2 LYS 40 HG2 LYS 40 9.122 16.605 6.482
290 HG3 LYS 40 HG3 LYS 40 9.845 17.773 5.373
291 HD2 LYS 40 HD2 LYS 40 8.055 15.707 4.215
292 HD3 LYS 40 HD3 LYS 40 7.307 16.990 5.169
293 HE2 LYS 40 HE2 LYS 40 9.316 17.756 3.116
294 HE3 LYS 40 HE3 LYS 40 7.724 17.238 2.564
295 HZ1 LYS 40 HZ1 LYS 40 6.920 19.217 3.084
296 HZ2 LYS 40 HZ2 LYS 40 8.461 19.734 3.553
297 HZ3 LYS 40 HZ3 LYS 40 7.416 19.047 4.693
298 H CYS 41 H CYS 41 11.975 13.746 3.612
299 HA CYS 41 HA CYS 41 14.460 13.732 4.856
300 HB2 CYS 41 HB2 CYS 41 13.333 11.659 4.404
301 HB3 CYS 41 HB3 CYS 41 13.355 11.963 2.670
302 H GLN 42 H GLN 42 13.622 14.342 1.481
303 HA GLN 42 HA GLN 42 16.177 14.352 0.378
304 HB2 GLN 42 HB2 GLN 42 13.577 15.616 -0.334
305 HB3 GLN 42 HB3 GLN 42 15.020 16.196 -1.156
306 HG2 GLN 42 HG2 GLN 42 14.365 13.277 -1.024
307 HG3 GLN 42 HG3 GLN 42 13.667 14.328 -2.255
308 HE21 GLN 42 HE21 GLN 42 14.781 14.623 -4.055
309 HE22 GLN 42 HE22 GLN 42 16.450 14.241 -4.284
310 H ASP 43 H ASP 43 14.457 16.840 2.164
311 HA ASP 43 HA ASP 43 16.314 18.931 1.629
312 HB2 ASP 43 HB2 ASP 43 13.918 19.218 2.400
313 HB3 ASP 43 HB3 ASP 43 14.460 18.738 4.005
314 H LEU 44 H LEU 44 15.893 16.639 4.294
315 HA LEU 44 HA LEU 44 17.806 17.636 6.045
316 HB2 LEU 44 HB2 LEU 44 17.150 14.735 5.555
317 HB3 LEU 44 HB3 LEU 44 17.889 15.411 7.005
318 HG LEU 44 HG LEU 44 15.065 15.877 6.048
319 HD11 LEU 44 HD11 LEU 44 15.699 14.671 8.673
320 HD12 LEU 44 HD12 LEU 44 15.954 13.666 7.247
321 HD13 LEU 44 HD13 LEU 44 14.362 14.353 7.567
322 HD21 LEU 44 HD21 LEU 44 15.184 16.791 8.604
323 HD22 LEU 44 HD22 LEU 44 15.285 17.809 7.167
324 HD23 LEU 44 HD23 LEU 44 16.759 17.286 7.984
325 H LEU 45 H LEU 45 18.207 15.172 3.506
326 HA LEU 45 HA LEU 45 20.993 14.857 3.893
327 HB2 LEU 45 HB2 LEU 45 19.251 14.271 1.505
328 HB3 LEU 45 HB3 LEU 45 20.937 13.779 1.652
329 HG LEU 45 HG LEU 45 18.687 12.860 3.441
330 HD11 LEU 45 HD11 LEU 45 20.189 11.175 1.471
331 HD12 LEU 45 HD12 LEU 45 18.747 12.073 0.997
332 HD13 LEU 45 HD13 LEU 45 18.648 10.852 2.266
333 HD21 LEU 45 HD21 LEU 45 21.056 11.242 3.468
334 HD22 LEU 45 HD22 LEU 45 20.232 12.041 4.808
335 HD23 LEU 45 HD23 LEU 45 21.457 12.909 3.882
336 H HIS 46 H HIS 46 19.082 17.151 2.135
337 HA HIS 46 HA HIS 46 21.108 18.062 0.362
338 HB2 HIS 46 HB2 HIS 46 18.582 18.428 0.174
339 HB3 HIS 46 HB3 HIS 46 18.793 19.720 1.352
340 HD1 HIS 46 HD1 HIS 46 20.364 21.738 0.572
341 HD2 HIS 46 HD2 HIS 46 19.173 19.104 -2.412
342 HE1 HIS 46 HE1 HIS 46 20.802 22.935 -1.596
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 0.252 -1.947 -0.050
2 HA ALA 1 HA ALA 1 1.511 -0.733 -2.090
3 HB1 ALA 1 HB1 ALA 1 2.876 0.481 -0.476
4 HB2 ALA 1 HB2 ALA 1 1.225 0.284 0.114
5 HB3 ALA 1 HB3 ALA 1 2.517 -0.732 0.753
6 H ASP 2 H ASP 2 3.454 -0.762 -3.137
7 HA ASP 2 HA ASP 2 5.146 -3.108 -2.630
8 HB2 ASP 2 HB2 ASP 2 4.823 -1.383 -5.092
9 HB3 ASP 2 HB3 ASP 2 5.999 -2.686 -4.948
10 H ASN 3 H ASN 3 7.313 -2.931 -2.257
11 HA ASN 3 HA ASN 3 8.259 -0.421 -1.258
12 HB2 ASN 3 HB2 ASN 3 9.289 -3.207 -1.392
13 HB3 ASN 3 HB3 ASN 3 10.481 -1.921 -1.231
14 HD21 ASN 3 HD21 ASN 3 11.114 -2.137 0.820
15 HD22 ASN 3 HD22 ASN 3 10.068 -2.053 2.193
16 H LYS 4 H LYS 4 8.723 1.140 -2.680
17 HA LYS 4 HA LYS 4 9.673 0.670 -5.315
18 HB2 LYS 4 HB2 LYS 4 9.744 3.218 -3.687
19 HB3 LYS 4 HB3 LYS 4 9.960 3.102 -5.429
20 HG2 LYS 4 HG2 LYS 4 7.458 2.120 -4.110
21 HG3 LYS 4 HG3 LYS 4 7.674 3.822 -4.526
22 HD2 LYS 4 HD2 LYS 4 8.440 2.508 -6.825
23 HD3 LYS 4 HD3 LYS 4 7.090 1.535 -6.237
24 HE2 LYS 4 HE2 LYS 4 5.682 3.514 -6.138
25 HE3 LYS 4 HE3 LYS 4 7.034 4.524 -6.649
26 HZ1 LYS 4 HZ1 LYS 4 6.487 4.121 -8.739
27 HZ2 LYS 4 HZ2 LYS 4 5.207 3.130 -8.250
28 HZ3 LYS 4 HZ3 LYS 4 6.739 2.463 -8.512
29 H CYS 5 H CYS 5 11.224 1.231 -2.243
30 HA CYS 5 HA CYS 5 13.804 1.843 -3.314
31 HB2 CYS 5 HB2 CYS 5 14.586 1.512 -0.985
32 HB3 CYS 5 HB3 CYS 5 13.208 2.604 -1.087
33 H GLU 6 H GLU 6 12.097 -1.070 -2.453
34 HA GLU 6 HA GLU 6 14.210 -2.857 -2.166
35 HB2 GLU 6 HB2 GLU 6 11.352 -3.087 -2.952
36 HB3 GLU 6 HB3 GLU 6 12.392 -4.461 -3.296
37 HG2 GLU 6 HG2 GLU 6 12.042 -3.191 -0.590
38 HG3 GLU 6 HG3 GLU 6 11.229 -4.654 -1.142
39 H ASN 7 H ASN 7 12.939 -1.330 -5.001
40 HA ASN 7 HA ASN 7 14.536 -3.083 -6.733
41 HB2 ASN 7 HB2 ASN 7 12.031 -2.532 -7.162
42 HB3 ASN 7 HB3 ASN 7 12.638 -0.982 -7.738
43 HD21 ASN 7 HD21 ASN 7 11.371 -2.194 -9.587
44 HD22 ASN 7 HD22 ASN 7 12.395 -3.009 -10.716
45 H SER 8 H SER 8 14.203 0.196 -5.599
46 HA SER 8 HA SER 8 16.332 1.102 -7.397
47 HB2 SER 8 HB2 SER 8 14.220 2.477 -5.792
48 HB3 SER 8 HB3 SER 8 15.707 3.356 -6.146
49 HG SER 8 HG SER 8 13.627 2.940 -7.741
50 H LEU 9 H LEU 9 18.350 0.988 -6.697
51 HA LEU 9 HA LEU 9 19.045 0.446 -4.006
52 HB2 LEU 9 HB2 LEU 9 21.292 0.488 -4.722
53 HB3 LEU 9 HB3 LEU 9 20.355 -0.186 -6.054
54 HG LEU 9 HG LEU 9 20.415 2.377 -6.827
55 HD11 LEU 9 HD11 LEU 9 21.768 3.564 -5.506
56 HD12 LEU 9 HD12 LEU 9 23.083 2.720 -6.323
57 HD13 LEU 9 HD13 LEU 9 22.476 2.122 -4.779
58 HD21 LEU 9 HD21 LEU 9 22.798 0.619 -7.315
59 HD22 LEU 9 HD22 LEU 9 21.998 1.733 -8.424
60 HD23 LEU 9 HD23 LEU 9 21.205 0.226 -7.964
61 H ARG 10 H ARG 10 18.960 3.385 -5.937
62 HA ARG 10 HA ARG 10 20.314 5.043 -4.080
63 HB2 ARG 10 HB2 ARG 10 18.687 5.438 -6.525
64 HB3 ARG 10 HB3 ARG 10 18.777 6.806 -5.423
65 HG2 ARG 10 HG2 ARG 10 21.220 6.736 -5.540
66 HG3 ARG 10 HG3 ARG 10 21.121 5.374 -6.658
67 HD2 ARG 10 HD2 ARG 10 20.226 8.212 -7.092
68 HD3 ARG 10 HD3 ARG 10 21.445 7.305 -7.986
69 HE ARG 10 HE ARG 10 18.630 7.308 -8.448
70 HH11 ARG 10 HH11 ARG 10 21.502 5.350 -8.643
71 HH12 ARG 10 HH12 ARG 10 20.884 4.339 -9.907
72 HH21 ARG 10 HH21 ARG 10 17.806 5.984 -10.111
73 HH22 ARG 10 HH22 ARG 10 18.782 4.701 -10.742
74 H ARG 11 H ARG 11 16.878 4.389 -4.670
75 HA ARG 11 HA ARG 11 15.845 6.208 -2.797
76 HB2 ARG 11 HB2 ARG 11 14.470 5.150 -4.530
77 HB3 ARG 11 HB3 ARG 11 14.677 3.588 -3.751
78 HG2 ARG 11 HG2 ARG 11 12.597 4.218 -3.008
79 HG3 ARG 11 HG3 ARG 11 13.631 4.772 -1.690
80 HD2 ARG 11 HD2 ARG 11 12.254 6.599 -2.065
81 HD3 ARG 11 HD3 ARG 11 13.698 7.002 -2.993
82 HE ARG 11 HE ARG 11 11.931 5.660 -4.685
83 HH11 ARG 11 HH11 ARG 11 12.133 8.660 -2.931
84 HH12 ARG 11 HH12 ARG 11 11.144 9.534 -4.054
85 HH21 ARG 11 HH21 ARG 11 10.628 6.799 -6.171
86 HH22 ARG 11 HH22 ARG 11 10.288 8.474 -5.896
87 H GLU 12 H GLU 12 17.025 2.918 -2.468
88 HA GLU 12 HA GLU 12 16.073 2.530 0.191
89 HB2 GLU 12 HB2 GLU 12 16.813 0.768 -1.564
90 HB3 GLU 12 HB3 GLU 12 18.436 1.085 -0.969
91 HG2 GLU 12 HG2 GLU 12 17.440 0.612 1.357
92 HG3 GLU 12 HG3 GLU 12 16.108 -0.123 0.466
93 H ILE 13 H ILE 13 19.243 3.375 -1.175
94 HA ILE 13 HA ILE 13 20.607 3.570 1.280
95 HB ILE 13 HB ILE 13 21.187 4.998 -1.318
96 HG12 ILE 13 HG12 ILE 13 22.627 2.572 -0.295
97 HG13 ILE 13 HG13 ILE 13 21.108 2.391 -1.165
98 HG21 ILE 13 HG21 ILE 13 23.563 4.569 0.054
99 HG22 ILE 13 HG22 ILE 13 22.725 6.106 -0.154
100 HG23 ILE 13 HG23 ILE 13 22.434 5.132 1.286
101 HD11 ILE 13 HD11 ILE 13 23.696 3.527 -2.163
102 HD12 ILE 13 HD12 ILE 13 22.803 2.129 -2.762
103 HD13 ILE 13 HD13 ILE 13 22.168 3.755 -3.011
104 H ALA 14 H ALA 14 18.580 5.812 -0.469
105 HA ALA 14 HA ALA 14 19.343 8.154 0.951
106 HB1 ALA 14 HB1 ALA 14 17.953 7.764 -1.296
107 HB2 ALA 14 HB2 ALA 14 16.611 7.983 -0.171
108 HB3 ALA 14 HB3 ALA 14 17.834 9.242 -0.342
109 H CYS 15 H CYS 15 16.740 5.787 1.353
110 HA CYS 15 HA CYS 15 15.492 7.136 3.526
111 HB2 CYS 15 HB2 CYS 15 15.273 4.420 2.296
112 HB3 CYS 15 HB3 CYS 15 14.561 4.690 3.883
113 H GLY 16 H GLY 16 17.997 4.685 3.263
114 HA2 GLY 16 HA2 GLY 16 18.084 3.805 5.910
115 HA3 GLY 16 HA3 GLY 16 19.458 3.834 4.815
116 H GLN 17 H GLN 17 19.814 6.522 4.404
117 HA GLN 17 HA GLN 17 21.206 7.277 6.747
118 HB2 GLN 17 HB2 GLN 17 20.469 8.942 4.333
119 HB3 GLN 17 HB3 GLN 17 21.656 9.385 5.553
120 HG2 GLN 17 HG2 GLN 17 23.000 7.430 4.941
121 HG3 GLN 17 HG3 GLN 17 21.819 7.021 3.697
122 HE21 GLN 17 HE21 GLN 17 22.248 7.716 1.735
123 HE22 GLN 17 HE22 GLN 17 23.276 9.041 1.324
124 H CYS 18 H CYS 18 18.344 8.718 5.179
125 HA CYS 18 HA CYS 18 17.807 10.647 7.114
126 HB2 CYS 18 HB2 CYS 18 16.214 9.278 5.004
127 HB3 CYS 18 HB3 CYS 18 15.329 10.168 6.239
128 H ARG 19 H ARG 19 17.072 7.232 7.044
129 HA ARG 19 HA ARG 19 15.103 7.110 9.017
130 HB2 ARG 19 HB2 ARG 19 15.630 5.182 7.655
131 HB3 ARG 19 HB3 ARG 19 17.263 5.122 8.304
132 HG2 ARG 19 HG2 ARG 19 16.256 4.691 10.556
133 HG3 ARG 19 HG3 ARG 19 14.695 4.529 9.749
134 HD2 ARG 19 HD2 ARG 19 16.336 2.901 8.259
135 HD3 ARG 19 HD3 ARG 19 16.931 2.664 9.902
136 HE ARG 19 HE ARG 19 14.175 2.474 10.030
137 HH11 ARG 19 HH11 ARG 19 16.790 0.801 8.454
138 HH12 ARG 19 HH12 ARG 19 15.975 -0.728 8.436
139 HH21 ARG 19 HH21 ARG 19 13.091 0.467 10.012
140 HH22 ARG 19 HH22 ARG 19 13.870 -0.916 9.321
141 H ASP 20 H ASP 20 18.607 7.290 9.278
142 HA ASP 20 HA ASP 20 18.583 6.935 12.144
143 HB2 ASP 20 HB2 ASP 20 20.479 6.140 10.775
144 HB3 ASP 20 HB3 ASP 20 20.831 7.803 10.314
145 H LYS 21 H LYS 21 19.031 9.601 9.862
146 HA LYS 21 HA LYS 21 19.642 11.592 11.752
147 HB2 LYS 21 HB2 LYS 21 18.360 11.791 9.023
148 HB3 LYS 21 HB3 LYS 21 18.888 13.181 9.962
149 HG2 LYS 21 HG2 LYS 21 21.178 11.942 9.995
150 HG3 LYS 21 HG3 LYS 21 20.516 11.086 8.600
151 HD2 LYS 21 HD2 LYS 21 20.304 13.071 7.351
152 HD3 LYS 21 HD3 LYS 21 20.513 14.087 8.780
153 HE2 LYS 21 HE2 LYS 21 22.632 12.307 7.578
154 HE3 LYS 21 HE3 LYS 21 22.514 14.050 7.341
155 HZ1 LYS 21 HZ1 LYS 21 23.440 12.551 9.649
156 HZ2 LYS 21 HZ2 LYS 21 22.496 13.912 9.995
157 HZ3 LYS 21 HZ3 LYS 21 23.913 14.075 9.085
158 H VAL 22 H VAL 22 16.546 10.953 10.094
159 HA VAL 22 HA VAL 22 14.983 12.761 11.503
160 HB VAL 22 HB VAL 22 14.085 10.070 10.464
161 HG11 VAL 22 HG11 VAL 22 11.990 11.717 10.103
162 HG12 VAL 22 HG12 VAL 22 12.213 10.726 11.547
163 HG13 VAL 22 HG13 VAL 22 12.687 12.426 11.560
164 HG21 VAL 22 HG21 VAL 22 14.415 10.823 8.402
165 HG22 VAL 22 HG22 VAL 22 13.412 12.234 8.737
166 HG23 VAL 22 HG23 VAL 22 15.145 12.287 9.061
167 H LYS 23 H LYS 23 16.250 9.695 12.489
168 HA LYS 23 HA LYS 23 16.154 8.527 14.438
169 HB2 LYS 23 HB2 LYS 23 15.484 11.309 15.339
170 HB3 LYS 23 HB3 LYS 23 15.441 9.976 16.486
171 HG2 LYS 23 HG2 LYS 23 17.868 10.341 14.802
172 HG3 LYS 23 HG3 LYS 23 17.601 11.422 16.172
173 HD2 LYS 23 HD2 LYS 23 18.808 9.738 17.171
174 HD3 LYS 23 HD3 LYS 23 17.158 9.181 17.459
175 HE2 LYS 23 HE2 LYS 23 17.288 7.565 15.775
176 HE3 LYS 23 HE3 LYS 23 18.687 8.330 15.023
177 HZ1 LYS 23 HZ1 LYS 23 18.593 6.378 17.102
178 HZ2 LYS 23 HZ2 LYS 23 19.512 7.722 17.558
179 HZ3 LYS 23 HZ3 LYS 23 19.901 6.870 16.149
180 H THR 24 H THR 24 13.967 8.205 12.773
181 HA THR 24 HA THR 24 11.815 7.773 14.734
182 HB THR 24 HB THR 24 11.451 8.658 11.865
183 HG1 THR 24 HG1 THR 24 10.378 10.448 13.041
184 HG21 THR 24 HG21 THR 24 9.002 8.831 12.790
185 HG22 THR 24 HG22 THR 24 9.560 7.597 13.919
186 HG23 THR 24 HG23 THR 24 9.618 7.296 12.182
187 H ASP 25 H ASP 25 11.523 5.666 14.992
188 HA ASP 25 HA ASP 25 12.549 3.692 13.266
189 HB2 ASP 25 HB2 ASP 25 11.636 3.687 15.819
190 HB3 ASP 25 HB3 ASP 25 10.280 2.920 14.996
191 H GLY 26 H GLY 26 11.693 2.583 11.591
192 HA2 GLY 26 HA2 GLY 26 10.001 1.730 10.206
193 HA3 GLY 26 HA3 GLY 26 8.836 2.747 11.040
194 H TYR 27 H TYR 27 11.011 4.952 10.579
195 HA TYR 27 HA TYR 27 9.737 6.305 8.534
196 HB2 TYR 27 HB2 TYR 27 11.367 7.268 10.192
197 HB3 TYR 27 HB3 TYR 27 12.667 6.589 9.219
198 HD1 TYR 27 HD1 TYR 27 9.886 9.031 9.198
199 HD2 TYR 27 HD2 TYR 27 13.424 7.682 7.258
200 HE1 TYR 27 HE1 TYR 27 9.876 11.047 7.789
201 HE2 TYR 27 HE2 TYR 27 13.424 9.694 5.845
202 HH TYR 27 HH TYR 27 11.111 12.299 6.359
203 H PHE 28 H PHE 28 12.660 4.296 8.353
204 HA PHE 28 HA PHE 28 13.299 4.657 5.688
205 HB2 PHE 28 HB2 PHE 28 14.803 3.445 7.097
206 HB3 PHE 28 HB3 PHE 28 13.586 2.224 7.452
207 HD1 PHE 28 HD1 PHE 28 13.023 0.515 5.818
208 HD2 PHE 28 HD2 PHE 28 16.044 3.411 5.041
209 HE1 PHE 28 HE1 PHE 28 13.853 -0.857 3.952
210 HE2 PHE 28 HE2 PHE 28 16.878 2.044 3.173
211 HZ PHE 28 HZ PHE 28 15.782 -0.093 2.626
212 H TYR 29 H TYR 29 11.048 2.317 7.117
213 HA TYR 29 HA TYR 29 10.323 1.178 4.593
214 HB2 TYR 29 HB2 TYR 29 10.180 0.116 6.956
215 HB3 TYR 29 HB3 TYR 29 8.647 0.972 7.080
216 HD1 TYR 29 HD1 TYR 29 6.851 0.485 5.363
217 HD2 TYR 29 HD2 TYR 29 10.339 -1.916 5.778
218 HE1 TYR 29 HE1 TYR 29 5.728 -1.344 4.163
219 HE2 TYR 29 HE2 TYR 29 9.225 -3.752 4.578
220 HH TYR 29 HH TYR 29 5.932 -3.861 4.033
221 H GLU 30 H GLU 30 9.295 3.898 6.442
222 HA GLU 30 HA GLU 30 6.688 4.140 5.286
223 HB2 GLU 30 HB2 GLU 30 7.279 5.118 7.482
224 HB3 GLU 30 HB3 GLU 30 8.374 6.231 6.674
225 HG2 GLU 30 HG2 GLU 30 6.286 6.950 5.338
226 HG3 GLU 30 HG3 GLU 30 5.388 6.164 6.635
227 H CYS 31 H CYS 31 9.726 5.954 4.841
228 HA CYS 31 HA CYS 31 8.809 7.533 2.702
229 HB2 CYS 31 HB2 CYS 31 11.237 7.917 2.248
230 HB3 CYS 31 HB3 CYS 31 10.775 8.194 3.924
231 H CYS 32 H CYS 32 10.036 4.287 2.848
232 HA CYS 32 HA CYS 32 10.817 3.947 0.175
233 HB2 CYS 32 HB2 CYS 32 10.041 2.149 2.411
234 HB3 CYS 32 HB3 CYS 32 9.998 1.467 0.788
235 H THR 33 H THR 33 7.701 4.169 1.633
236 HA THR 33 HA THR 33 6.467 3.639 -0.985
237 HB THR 33 HB THR 33 4.579 2.539 0.039
238 HG1 THR 33 HG1 THR 33 4.220 2.626 2.136
239 HG21 THR 33 HG21 THR 33 6.858 1.324 -0.383
240 HG22 THR 33 HG22 THR 33 5.556 0.488 0.464
241 HG23 THR 33 HG23 THR 33 6.890 1.195 1.375
242 H SER 34 H SER 34 7.243 6.073 0.678
243 HA SER 34 HA SER 34 4.636 7.415 0.458
244 HB2 SER 34 HB2 SER 34 5.104 7.006 2.844
245 HB3 SER 34 HB3 SER 34 6.646 7.848 2.683
246 HG SER 34 HG SER 34 4.872 9.145 3.507
247 H ASP 35 H ASP 35 4.959 8.608 -1.327
248 HA ASP 35 HA ASP 35 7.434 9.740 -2.091
249 HB2 ASP 35 HB2 ASP 35 6.162 10.921 -3.802
250 HB3 ASP 35 HB3 ASP 35 5.612 9.252 -3.686
251 H SER 36 H SER 36 4.726 10.937 -0.213
252 HA SER 36 HA SER 36 5.510 13.665 -0.199
253 HB2 SER 36 HB2 SER 36 3.211 12.756 0.368
254 HB3 SER 36 HB3 SER 36 3.877 12.270 1.927
255 HG SER 36 HG SER 36 3.385 14.233 2.492
256 H THR 37 H THR 37 5.931 11.031 2.152
257 HA THR 37 HA THR 37 7.312 12.489 4.097
258 HB THR 37 HB THR 37 7.570 9.552 3.420
259 HG1 THR 37 HG1 THR 37 6.122 10.546 5.611
260 HG21 THR 37 HG21 THR 37 8.267 9.392 5.843
261 HG22 THR 37 HG22 THR 37 8.456 11.146 5.821
262 HG23 THR 37 HG23 THR 37 9.444 10.139 4.763
263 H PHE 38 H PHE 38 8.358 11.197 1.056
264 HA PHE 38 HA PHE 38 11.138 11.111 1.561
265 HB2 PHE 38 HB2 PHE 38 9.799 10.103 -0.409
266 HB3 PHE 38 HB3 PHE 38 9.956 11.695 -1.143
267 HD1 PHE 38 HD1 PHE 38 12.117 9.172 0.560
268 HD2 PHE 38 HD2 PHE 38 11.699 11.999 -2.594
269 HE1 PHE 38 HE1 PHE 38 14.347 8.558 -0.281
270 HE2 PHE 38 HE2 PHE 38 13.927 11.389 -3.442
271 HZ PHE 38 HZ PHE 38 15.253 9.666 -2.285
272 H LYS 39 H LYS 39 8.958 13.667 0.571
273 HA LYS 39 HA LYS 39 10.753 15.559 -0.370
274 HB2 LYS 39 HB2 LYS 39 8.158 15.848 1.134
275 HB3 LYS 39 HB3 LYS 39 9.054 17.241 0.543
276 HG2 LYS 39 HG2 LYS 39 8.942 16.148 -1.748
277 HG3 LYS 39 HG3 LYS 39 7.746 15.056 -1.045
278 HD2 LYS 39 HD2 LYS 39 6.479 16.774 -2.014
279 HD3 LYS 39 HD3 LYS 39 6.520 17.172 -0.294
280 HE2 LYS 39 HE2 LYS 39 6.913 19.172 -1.574
281 HE3 LYS 39 HE3 LYS 39 8.402 18.718 -0.744
282 HZ1 LYS 39 HZ1 LYS 39 8.558 17.450 -3.156
283 HZ2 LYS 39 HZ2 LYS 39 9.366 18.872 -2.725
284 HZ3 LYS 39 HZ3 LYS 39 7.888 18.955 -3.544
285 H LYS 40 H LYS 40 9.561 15.177 2.969
286 HA LYS 40 HA LYS 40 11.107 17.170 4.145
287 HB2 LYS 40 HB2 LYS 40 9.817 14.667 5.152
288 HB3 LYS 40 HB3 LYS 40 10.910 15.546 6.214
289 HG2 LYS 40 HG2 LYS 40 8.661 16.245 6.651
290 HG3 LYS 40 HG3 LYS 40 9.533 17.575 5.883
291 HD2 LYS 40 HD2 LYS 40 8.520 16.998 3.732
292 HD3 LYS 40 HD3 LYS 40 7.658 15.659 4.494
293 HE2 LYS 40 HE2 LYS 40 7.347 18.574 5.207
294 HE3 LYS 40 HE3 LYS 40 6.237 17.647 4.199
295 HZ1 LYS 40 HZ1 LYS 40 5.248 17.533 6.255
296 HZ2 LYS 40 HZ2 LYS 40 6.714 17.450 7.095
297 HZ3 LYS 40 HZ3 LYS 40 6.145 16.099 6.250
298 H CYS 41 H CYS 41 11.895 13.823 3.392
299 HA CYS 41 HA CYS 41 14.381 13.790 4.779
300 HB2 CYS 41 HB2 CYS 41 13.319 11.694 4.318
301 HB3 CYS 41 HB3 CYS 41 13.246 12.043 2.593
302 H GLN 42 H GLN 42 13.398 14.587 1.501
303 HA GLN 42 HA GLN 42 15.907 14.644 0.276
304 HB2 GLN 42 HB2 GLN 42 13.336 16.109 -0.246
305 HB3 GLN 42 HB3 GLN 42 14.770 16.435 -1.211
306 HG2 GLN 42 HG2 GLN 42 13.318 13.816 -0.937
307 HG3 GLN 42 HG3 GLN 42 13.409 14.848 -2.363
308 HE21 GLN 42 HE21 GLN 42 15.024 12.499 -0.417
309 HE22 GLN 42 HE22 GLN 42 16.360 12.227 -1.476
310 H ASP 43 H ASP 43 14.294 16.986 2.321
311 HA ASP 43 HA ASP 43 16.075 19.144 1.795
312 HB2 ASP 43 HB2 ASP 43 13.764 19.384 2.742
313 HB3 ASP 43 HB3 ASP 43 14.371 18.720 4.256
314 H LEU 44 H LEU 44 15.912 16.640 4.287
315 HA LEU 44 HA LEU 44 17.933 17.555 5.966
316 HB2 LEU 44 HB2 LEU 44 17.315 14.679 5.314
317 HB3 LEU 44 HB3 LEU 44 18.114 15.284 6.764
318 HG LEU 44 HG LEU 44 15.222 15.648 5.994
319 HD11 LEU 44 HD11 LEU 44 16.218 14.408 8.517
320 HD12 LEU 44 HD12 LEU 44 16.193 13.459 7.032
321 HD13 LEU 44 HD13 LEU 44 14.698 14.153 7.659
322 HD21 LEU 44 HD21 LEU 44 15.065 16.742 8.252
323 HD22 LEU 44 HD22 LEU 44 15.889 17.687 7.011
324 HD23 LEU 44 HD23 LEU 44 16.825 16.842 8.245
325 H LEU 45 H LEU 45 18.183 15.266 3.247
326 HA LEU 45 HA LEU 45 21.012 15.057 3.393
327 HB2 LEU 45 HB2 LEU 45 19.151 14.466 1.096
328 HB3 LEU 45 HB3 LEU 45 20.835 13.959 1.209
329 HG LEU 45 HG LEU 45 18.598 13.047 3.019
330 HD11 LEU 45 HD11 LEU 45 18.120 11.801 1.202
331 HD12 LEU 45 HD12 LEU 45 19.477 10.832 1.777
332 HD13 LEU 45 HD13 LEU 45 19.721 12.019 0.495
333 HD21 LEU 45 HD21 LEU 45 20.958 11.423 3.054
334 HD22 LEU 45 HD22 LEU 45 20.147 12.243 4.389
335 HD23 LEU 45 HD23 LEU 45 21.375 13.091 3.447
336 H HIS 46 H HIS 46 18.839 17.291 1.884
337 HA HIS 46 HA HIS 46 20.655 18.337 -0.043
338 HB2 HIS 46 HB2 HIS 46 18.216 18.615 -0.240
339 HB3 HIS 46 HB3 HIS 46 18.216 19.625 1.203
340 HD1 HIS 46 HD1 HIS 46 20.714 19.908 -1.617
341 HD2 HIS 46 HD2 HIS 46 17.517 21.998 0.017
342 HE1 HIS 46 HE1 HIS 46 20.699 22.135 -2.784
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 1.060 -3.229 0.880
2 HA ALA 1 HA ALA 1 1.067 -0.565 -0.328
3 HB1 ALA 1 HB1 ALA 1 2.251 -0.157 1.519
4 HB2 ALA 1 HB2 ALA 1 2.552 -1.871 1.809
5 HB3 ALA 1 HB3 ALA 1 3.585 -0.969 0.700
6 H ASP 2 H ASP 2 3.396 -0.084 -1.320
7 HA ASP 2 HA ASP 2 4.122 -2.280 -3.132
8 HB2 ASP 2 HB2 ASP 2 3.270 0.503 -3.852
9 HB3 ASP 2 HB3 ASP 2 4.418 -0.353 -4.878
10 H ASN 3 H ASN 3 6.103 -2.721 -2.324
11 HA ASN 3 HA ASN 3 7.906 -0.842 -1.275
12 HB2 ASN 3 HB2 ASN 3 7.849 -3.468 -1.134
13 HB3 ASN 3 HB3 ASN 3 8.884 -3.367 -2.555
14 HD21 ASN 3 HD21 ASN 3 9.540 -4.389 0.050
15 HD22 ASN 3 HD22 ASN 3 10.851 -3.434 0.646
16 H LYS 4 H LYS 4 8.716 0.811 -2.384
17 HA LYS 4 HA LYS 4 9.271 0.549 -5.231
18 HB2 LYS 4 HB2 LYS 4 9.694 2.999 -3.526
19 HB3 LYS 4 HB3 LYS 4 9.490 2.918 -5.271
20 HG2 LYS 4 HG2 LYS 4 7.362 2.252 -3.247
21 HG3 LYS 4 HG3 LYS 4 7.502 3.781 -4.118
22 HD2 LYS 4 HD2 LYS 4 7.268 1.131 -5.524
23 HD3 LYS 4 HD3 LYS 4 5.859 2.085 -5.054
24 HE2 LYS 4 HE2 LYS 4 7.181 4.001 -6.299
25 HE3 LYS 4 HE3 LYS 4 7.932 2.633 -7.120
26 HZ1 LYS 4 HZ1 LYS 4 6.150 2.456 -8.395
27 HZ2 LYS 4 HZ2 LYS 4 5.441 3.785 -7.626
28 HZ3 LYS 4 HZ3 LYS 4 5.159 2.222 -7.044
29 H CYS 5 H CYS 5 10.947 0.768 -2.186
30 HA CYS 5 HA CYS 5 13.501 1.472 -3.150
31 HB2 CYS 5 HB2 CYS 5 12.549 0.053 -0.672
32 HB3 CYS 5 HB3 CYS 5 14.264 0.296 -0.987
33 H GLU 6 H GLU 6 11.762 -1.538 -3.070
34 HA GLU 6 HA GLU 6 13.874 -3.351 -3.303
35 HB2 GLU 6 HB2 GLU 6 11.278 -3.701 -3.045
36 HB3 GLU 6 HB3 GLU 6 11.324 -3.800 -4.799
37 HG2 GLU 6 HG2 GLU 6 13.167 -5.550 -4.450
38 HG3 GLU 6 HG3 GLU 6 12.597 -5.607 -2.783
39 H ASN 7 H ASN 7 12.283 -1.344 -5.704
40 HA ASN 7 HA ASN 7 13.892 -2.526 -7.840
41 HB2 ASN 7 HB2 ASN 7 12.505 -1.012 -9.314
42 HB3 ASN 7 HB3 ASN 7 11.599 -2.247 -8.445
43 HD21 ASN 7 HD21 ASN 7 12.300 1.141 -8.714
44 HD22 ASN 7 HD22 ASN 7 10.999 1.697 -7.722
45 H SER 8 H SER 8 13.643 0.319 -5.879
46 HA SER 8 HA SER 8 15.676 1.675 -7.515
47 HB2 SER 8 HB2 SER 8 13.553 2.910 -6.991
48 HB3 SER 8 HB3 SER 8 14.003 2.858 -5.287
49 HG SER 8 HG SER 8 15.455 4.089 -7.393
50 H LEU 9 H LEU 9 17.629 0.985 -6.859
51 HA LEU 9 HA LEU 9 18.266 0.235 -4.205
52 HB2 LEU 9 HB2 LEU 9 20.495 -0.004 -4.957
53 HB3 LEU 9 HB3 LEU 9 19.449 -0.506 -6.283
54 HG LEU 9 HG LEU 9 19.841 2.026 -7.020
55 HD11 LEU 9 HD11 LEU 9 22.591 1.810 -6.373
56 HD12 LEU 9 HD12 LEU 9 21.669 1.684 -4.875
57 HD13 LEU 9 HD13 LEU 9 21.452 3.082 -5.929
58 HD21 LEU 9 HD21 LEU 9 21.847 1.129 -8.326
59 HD22 LEU 9 HD22 LEU 9 20.306 0.295 -8.526
60 HD23 LEU 9 HD23 LEU 9 21.554 -0.395 -7.488
61 H ARG 10 H ARG 10 18.594 3.236 -6.011
62 HA ARG 10 HA ARG 10 20.202 4.596 -4.117
63 HB2 ARG 10 HB2 ARG 10 18.565 5.362 -6.478
64 HB3 ARG 10 HB3 ARG 10 18.973 6.635 -5.335
65 HG2 ARG 10 HG2 ARG 10 21.370 5.989 -5.586
66 HG3 ARG 10 HG3 ARG 10 20.876 4.886 -6.872
67 HD2 ARG 10 HD2 ARG 10 19.758 6.946 -7.926
68 HD3 ARG 10 HD3 ARG 10 20.750 7.882 -6.808
69 HE ARG 10 HE ARG 10 22.549 6.266 -8.008
70 HH11 ARG 10 HH11 ARG 10 20.084 8.402 -9.224
71 HH12 ARG 10 HH12 ARG 10 20.943 8.774 -10.682
72 HH21 ARG 10 HH21 ARG 10 23.689 6.748 -9.924
73 HH22 ARG 10 HH22 ARG 10 22.993 7.832 -11.079
74 H ARG 11 H ARG 11 16.762 4.076 -4.424
75 HA ARG 11 HA ARG 11 15.906 6.091 -2.633
76 HB2 ARG 11 HB2 ARG 11 14.522 4.715 -4.319
77 HB3 ARG 11 HB3 ARG 11 14.455 3.492 -3.058
78 HG2 ARG 11 HG2 ARG 11 12.471 4.741 -2.869
79 HG3 ARG 11 HG3 ARG 11 13.510 5.277 -1.546
80 HD2 ARG 11 HD2 ARG 11 12.700 7.274 -2.398
81 HD3 ARG 11 HD3 ARG 11 14.262 7.116 -3.200
82 HE ARG 11 HE ARG 11 12.050 6.022 -4.688
83 HH11 ARG 11 HH11 ARG 11 13.953 8.860 -4.018
84 HH12 ARG 11 HH12 ARG 11 13.562 9.635 -5.518
85 HH21 ARG 11 HH21 ARG 11 11.529 7.032 -6.666
86 HH22 ARG 11 HH22 ARG 11 12.183 8.595 -7.023
87 H GLU 12 H GLU 12 16.922 2.750 -2.197
88 HA GLU 12 HA GLU 12 16.137 2.535 0.523
89 HB2 GLU 12 HB2 GLU 12 16.479 0.520 -0.711
90 HB3 GLU 12 HB3 GLU 12 18.113 0.994 -1.155
91 HG2 GLU 12 HG2 GLU 12 18.989 0.371 0.837
92 HG3 GLU 12 HG3 GLU 12 17.523 0.764 1.732
93 H ILE 13 H ILE 13 19.306 3.098 -1.003
94 HA ILE 13 HA ILE 13 20.805 3.390 1.322
95 HB ILE 13 HB ILE 13 21.225 4.823 -1.303
96 HG12 ILE 13 HG12 ILE 13 22.495 2.250 -0.362
97 HG13 ILE 13 HG13 ILE 13 21.053 2.291 -1.371
98 HG21 ILE 13 HG21 ILE 13 22.604 5.897 0.248
99 HG22 ILE 13 HG22 ILE 13 22.974 4.396 1.095
100 HG23 ILE 13 HG23 ILE 13 23.655 4.697 -0.503
101 HD11 ILE 13 HD11 ILE 13 22.525 2.163 -3.049
102 HD12 ILE 13 HD12 ILE 13 22.715 3.895 -2.779
103 HD13 ILE 13 HD13 ILE 13 23.858 2.760 -2.062
104 H ALA 14 H ALA 14 18.837 5.731 -0.421
105 HA ALA 14 HA ALA 14 19.679 8.006 1.061
106 HB1 ALA 14 HB1 ALA 14 18.728 8.660 -0.906
107 HB2 ALA 14 HB2 ALA 14 17.487 7.408 -0.853
108 HB3 ALA 14 HB3 ALA 14 17.336 8.841 0.163
109 H CYS 15 H CYS 15 16.876 5.840 1.312
110 HA CYS 15 HA CYS 15 15.615 7.173 3.444
111 HB2 CYS 15 HB2 CYS 15 15.428 4.478 2.205
112 HB3 CYS 15 HB3 CYS 15 14.760 4.660 3.824
113 H GLY 16 H GLY 16 18.026 4.587 3.372
114 HA2 GLY 16 HA2 GLY 16 18.049 3.847 6.039
115 HA3 GLY 16 HA3 GLY 16 19.463 3.829 4.995
116 H GLN 17 H GLN 17 19.769 6.548 4.510
117 HA GLN 17 HA GLN 17 21.171 7.359 6.817
118 HB2 GLN 17 HB2 GLN 17 20.330 8.928 4.375
119 HB3 GLN 17 HB3 GLN 17 21.432 9.530 5.606
120 HG2 GLN 17 HG2 GLN 17 22.843 7.464 5.099
121 HG3 GLN 17 HG3 GLN 17 21.850 7.300 3.652
122 HE21 GLN 17 HE21 GLN 17 23.495 7.695 2.223
123 HE22 GLN 17 HE22 GLN 17 24.245 9.241 2.049
124 H CYS 18 H CYS 18 18.242 8.744 5.323
125 HA CYS 18 HA CYS 18 17.693 10.623 7.304
126 HB2 CYS 18 HB2 CYS 18 16.158 9.311 5.140
127 HB3 CYS 18 HB3 CYS 18 15.202 10.022 6.436
128 H ARG 19 H ARG 19 17.021 7.196 7.170
129 HA ARG 19 HA ARG 19 15.090 7.000 9.177
130 HB2 ARG 19 HB2 ARG 19 15.651 5.127 7.723
131 HB3 ARG 19 HB3 ARG 19 17.264 5.042 8.419
132 HG2 ARG 19 HG2 ARG 19 16.116 4.603 10.642
133 HG3 ARG 19 HG3 ARG 19 14.643 4.351 9.704
134 HD2 ARG 19 HD2 ARG 19 15.327 2.220 9.581
135 HD3 ARG 19 HD3 ARG 19 16.435 2.813 8.345
136 HE ARG 19 HE ARG 19 18.173 2.441 9.782
137 HH11 ARG 19 HH11 ARG 19 15.195 2.459 11.586
138 HH12 ARG 19 HH12 ARG 19 15.936 1.944 13.065
139 HH21 ARG 19 HH21 ARG 19 19.160 1.762 11.723
140 HH22 ARG 19 HH22 ARG 19 18.191 1.549 13.142
141 H ASP 20 H ASP 20 18.596 7.213 9.367
142 HA ASP 20 HA ASP 20 18.640 6.782 12.222
143 HB2 ASP 20 HB2 ASP 20 20.494 6.165 10.551
144 HB3 ASP 20 HB3 ASP 20 20.914 7.875 10.577
145 H LYS 21 H LYS 21 19.365 9.522 10.062
146 HA LYS 21 HA LYS 21 19.841 11.439 12.016
147 HB2 LYS 21 HB2 LYS 21 18.875 11.567 9.184
148 HB3 LYS 21 HB3 LYS 21 18.898 13.032 10.157
149 HG2 LYS 21 HG2 LYS 21 21.344 11.330 9.973
150 HG3 LYS 21 HG3 LYS 21 20.932 12.440 8.664
151 HD2 LYS 21 HD2 LYS 21 20.929 14.309 10.214
152 HD3 LYS 21 HD3 LYS 21 21.245 13.217 11.564
153 HE2 LYS 21 HE2 LYS 21 23.431 12.868 10.945
154 HE3 LYS 21 HE3 LYS 21 23.119 13.223 9.247
155 HZ1 LYS 21 HZ1 LYS 21 24.101 15.158 9.753
156 HZ2 LYS 21 HZ2 LYS 21 23.806 15.016 11.413
157 HZ3 LYS 21 HZ3 LYS 21 22.589 15.582 10.383
158 H VAL 22 H VAL 22 16.790 10.910 10.239
159 HA VAL 22 HA VAL 22 15.218 12.692 11.680
160 HB VAL 22 HB VAL 22 14.354 10.093 10.404
161 HG11 VAL 22 HG11 VAL 22 12.892 12.203 11.810
162 HG12 VAL 22 HG12 VAL 22 12.244 11.813 10.216
163 HG13 VAL 22 HG13 VAL 22 12.415 10.547 11.433
164 HG21 VAL 22 HG21 VAL 22 13.985 11.284 8.417
165 HG22 VAL 22 HG22 VAL 22 14.136 12.846 9.221
166 HG23 VAL 22 HG23 VAL 22 15.562 11.837 8.980
167 H LYS 23 H LYS 23 16.383 9.551 12.544
168 HA LYS 23 HA LYS 23 16.149 8.254 14.399
169 HB2 LYS 23 HB2 LYS 23 15.616 11.008 15.478
170 HB3 LYS 23 HB3 LYS 23 15.536 9.599 16.528
171 HG2 LYS 23 HG2 LYS 23 17.937 10.396 14.894
172 HG3 LYS 23 HG3 LYS 23 17.712 10.743 16.610
173 HD2 LYS 23 HD2 LYS 23 17.473 8.264 16.970
174 HD3 LYS 23 HD3 LYS 23 17.979 8.046 15.293
175 HE2 LYS 23 HE2 LYS 23 20.054 9.328 15.838
176 HE3 LYS 23 HE3 LYS 23 19.555 9.312 17.529
177 HZ1 LYS 23 HZ1 LYS 23 21.158 7.515 16.746
178 HZ2 LYS 23 HZ2 LYS 23 19.823 6.807 15.987
179 HZ3 LYS 23 HZ3 LYS 23 19.827 7.020 17.665
180 H THR 24 H THR 24 14.083 7.839 12.821
181 HA THR 24 HA THR 24 11.819 7.630 14.680
182 HB THR 24 HB THR 24 11.597 8.461 11.781
183 HG1 THR 24 HG1 THR 24 11.010 9.829 14.214
184 HG21 THR 24 HG21 THR 24 9.703 7.214 13.595
185 HG22 THR 24 HG22 THR 24 9.573 7.514 11.861
186 HG23 THR 24 HG23 THR 24 9.132 8.776 13.011
187 H ASP 25 H ASP 25 11.420 5.546 14.974
188 HA ASP 25 HA ASP 25 12.411 3.487 13.328
189 HB2 ASP 25 HB2 ASP 25 10.201 3.402 15.393
190 HB3 ASP 25 HB3 ASP 25 10.992 1.991 14.696
191 H GLY 26 H GLY 26 11.604 2.477 11.587
192 HA2 GLY 26 HA2 GLY 26 9.938 1.655 10.150
193 HA3 GLY 26 HA3 GLY 26 8.761 2.670 10.970
194 H TYR 27 H TYR 27 10.951 4.869 10.606
195 HA TYR 27 HA TYR 27 9.747 6.262 8.547
196 HB2 TYR 27 HB2 TYR 27 11.346 7.176 10.269
197 HB3 TYR 27 HB3 TYR 27 12.661 6.518 9.302
198 HD1 TYR 27 HD1 TYR 27 10.043 9.082 9.470
199 HD2 TYR 27 HD2 TYR 27 13.298 7.540 7.205
200 HE1 TYR 27 HE1 TYR 27 10.061 11.132 8.112
201 HE2 TYR 27 HE2 TYR 27 13.326 9.587 5.841
202 HH TYR 27 HH TYR 27 12.043 12.359 6.660
203 H PHE 28 H PHE 28 12.642 4.212 8.415
204 HA PHE 28 HA PHE 28 13.355 4.618 5.769
205 HB2 PHE 28 HB2 PHE 28 14.815 3.383 7.216
206 HB3 PHE 28 HB3 PHE 28 13.589 2.151 7.496
207 HD1 PHE 28 HD1 PHE 28 13.084 0.487 5.794
208 HD2 PHE 28 HD2 PHE 28 16.133 3.400 5.210
209 HE1 PHE 28 HE1 PHE 28 13.985 -0.835 3.924
210 HE2 PHE 28 HE2 PHE 28 17.037 2.083 3.339
211 HZ PHE 28 HZ PHE 28 15.964 -0.038 2.694
212 H TYR 29 H TYR 29 11.056 2.279 7.117
213 HA TYR 29 HA TYR 29 10.392 1.160 4.568
214 HB2 TYR 29 HB2 TYR 29 10.185 0.037 6.865
215 HB3 TYR 29 HB3 TYR 29 8.701 0.965 7.055
216 HD1 TYR 29 HD1 TYR 29 6.788 0.559 5.519
217 HD2 TYR 29 HD2 TYR 29 10.263 -1.896 5.474
218 HE1 TYR 29 HE1 TYR 29 5.544 -1.170 4.290
219 HE2 TYR 29 HE2 TYR 29 9.028 -3.631 4.243
220 HH TYR 29 HH TYR 29 5.935 -3.940 4.109
221 H GLU 30 H GLU 30 9.294 3.849 6.442
222 HA GLU 30 HA GLU 30 6.738 4.125 5.197
223 HB2 GLU 30 HB2 GLU 30 7.219 5.078 7.410
224 HB3 GLU 30 HB3 GLU 30 8.402 6.161 6.689
225 HG2 GLU 30 HG2 GLU 30 6.679 7.296 5.451
226 HG3 GLU 30 HG3 GLU 30 5.468 6.150 6.022
227 H CYS 31 H CYS 31 9.798 5.926 4.864
228 HA CYS 31 HA CYS 31 8.951 7.533 2.714
229 HB2 CYS 31 HB2 CYS 31 11.374 7.951 2.355
230 HB3 CYS 31 HB3 CYS 31 10.884 8.151 4.035
231 H CYS 32 H CYS 32 10.170 4.283 2.867
232 HA CYS 32 HA CYS 32 10.997 3.999 0.186
233 HB2 CYS 32 HB2 CYS 32 10.308 2.160 2.417
234 HB3 CYS 32 HB3 CYS 32 10.284 1.485 0.791
235 H THR 33 H THR 33 7.879 4.046 1.675
236 HA THR 33 HA THR 33 6.655 3.415 -0.930
237 HB THR 33 HB THR 33 4.717 2.460 0.262
238 HG1 THR 33 HG1 THR 33 6.277 2.392 2.618
239 HG21 THR 33 HG21 THR 33 5.863 0.603 -0.257
240 HG22 THR 33 HG22 THR 33 6.351 0.579 1.438
241 HG23 THR 33 HG23 THR 33 7.401 1.316 0.228
242 H SER 34 H SER 34 7.406 5.957 0.576
243 HA SER 34 HA SER 34 4.793 7.260 0.255
244 HB2 SER 34 HB2 SER 34 6.745 7.723 2.521
245 HB3 SER 34 HB3 SER 34 5.336 8.732 2.195
246 HG SER 34 HG SER 34 5.249 5.945 2.726
247 H ASP 35 H ASP 35 5.157 8.341 -1.596
248 HA ASP 35 HA ASP 35 7.637 9.465 -2.354
249 HB2 ASP 35 HB2 ASP 35 6.442 10.463 -4.194
250 HB3 ASP 35 HB3 ASP 35 5.802 8.843 -3.933
251 H SER 36 H SER 36 4.907 10.690 -0.553
252 HA SER 36 HA SER 36 5.688 13.440 -0.687
253 HB2 SER 36 HB2 SER 36 3.934 13.826 0.948
254 HB3 SER 36 HB3 SER 36 3.344 12.702 -0.276
255 HG SER 36 HG SER 36 2.976 11.372 1.293
256 H THR 37 H THR 37 6.000 10.869 1.733
257 HA THR 37 HA THR 37 7.183 12.383 3.764
258 HB THR 37 HB THR 37 7.687 9.465 3.152
259 HG1 THR 37 HG1 THR 37 5.411 10.367 3.532
260 HG21 THR 37 HG21 THR 37 7.708 9.800 5.880
261 HG22 THR 37 HG22 THR 37 8.523 11.254 5.305
262 HG23 THR 37 HG23 THR 37 9.135 9.663 4.854
263 H PHE 38 H PHE 38 8.497 11.087 0.823
264 HA PHE 38 HA PHE 38 11.238 11.176 1.553
265 HB2 PHE 38 HB2 PHE 38 10.062 9.996 -0.462
266 HB3 PHE 38 HB3 PHE 38 10.308 11.539 -1.275
267 HD1 PHE 38 HD1 PHE 38 11.990 8.660 0.274
268 HD2 PHE 38 HD2 PHE 38 12.466 12.223 -2.005
269 HE1 PHE 38 HE1 PHE 38 14.293 7.994 -0.278
270 HE2 PHE 38 HE2 PHE 38 14.770 11.562 -2.562
271 HZ PHE 38 HZ PHE 38 15.686 9.445 -1.699
272 H LYS 39 H LYS 39 8.982 13.527 0.292
273 HA LYS 39 HA LYS 39 10.668 15.471 -0.706
274 HB2 LYS 39 HB2 LYS 39 8.124 15.843 0.885
275 HB3 LYS 39 HB3 LYS 39 8.902 17.100 -0.069
276 HG2 LYS 39 HG2 LYS 39 8.639 15.547 -2.058
277 HG3 LYS 39 HG3 LYS 39 7.566 14.591 -1.032
278 HD2 LYS 39 HD2 LYS 39 6.089 15.997 -2.137
279 HD3 LYS 39 HD3 LYS 39 6.361 16.849 -0.615
280 HE2 LYS 39 HE2 LYS 39 8.167 18.147 -1.812
281 HE3 LYS 39 HE3 LYS 39 7.570 17.435 -3.309
282 HZ1 LYS 39 HZ1 LYS 39 6.343 19.320 -3.286
283 HZ2 LYS 39 HZ2 LYS 39 6.351 19.462 -1.601
284 HZ3 LYS 39 HZ3 LYS 39 5.306 18.364 -2.351
285 H LYS 40 H LYS 40 9.510 15.168 2.651
286 HA LYS 40 HA LYS 40 10.987 17.305 3.699
287 HB2 LYS 40 HB2 LYS 40 9.723 14.860 4.875
288 HB3 LYS 40 HB3 LYS 40 10.763 15.858 5.881
289 HG2 LYS 40 HG2 LYS 40 8.481 16.518 6.202
290 HG3 LYS 40 HG3 LYS 40 9.341 17.808 5.357
291 HD2 LYS 40 HD2 LYS 40 8.285 17.349 3.330
292 HD3 LYS 40 HD3 LYS 40 7.817 15.723 3.834
293 HE2 LYS 40 HE2 LYS 40 6.254 16.705 5.463
294 HE3 LYS 40 HE3 LYS 40 6.699 18.315 4.900
295 HZ1 LYS 40 HZ1 LYS 40 5.485 18.095 3.034
296 HZ2 LYS 40 HZ2 LYS 40 4.632 16.954 3.945
297 HZ3 LYS 40 HZ3 LYS 40 5.822 16.447 2.855
298 H CYS 41 H CYS 41 11.759 13.847 3.493
299 HA CYS 41 HA CYS 41 14.201 13.913 4.847
300 HB2 CYS 41 HB2 CYS 41 13.163 11.802 4.361
301 HB3 CYS 41 HB3 CYS 41 13.222 12.111 2.629
302 H GLN 42 H GLN 42 13.434 14.503 1.452
303 HA GLN 42 HA GLN 42 15.997 14.595 0.396
304 HB2 GLN 42 HB2 GLN 42 13.385 15.814 -0.328
305 HB3 GLN 42 HB3 GLN 42 14.821 16.474 -1.100
306 HG2 GLN 42 HG2 GLN 42 15.338 13.948 -1.576
307 HG3 GLN 42 HG3 GLN 42 13.598 13.775 -1.353
308 HE21 GLN 42 HE21 GLN 42 12.570 13.755 -3.206
309 HE22 GLN 42 HE22 GLN 42 12.952 14.700 -4.601
310 H ASP 43 H ASP 43 14.223 17.017 2.217
311 HA ASP 43 HA ASP 43 16.042 19.153 1.749
312 HB2 ASP 43 HB2 ASP 43 13.613 19.291 2.574
313 HB3 ASP 43 HB3 ASP 43 14.261 18.908 4.166
314 H LEU 44 H LEU 44 15.683 16.763 4.334
315 HA LEU 44 HA LEU 44 17.609 17.766 6.090
316 HB2 LEU 44 HB2 LEU 44 17.029 14.849 5.634
317 HB3 LEU 44 HB3 LEU 44 17.622 15.611 7.109
318 HG LEU 44 HG LEU 44 14.864 15.955 5.931
319 HD11 LEU 44 HD11 LEU 44 15.212 14.758 8.586
320 HD12 LEU 44 HD12 LEU 44 15.798 13.774 7.245
321 HD13 LEU 44 HD13 LEU 44 14.121 14.318 7.272
322 HD21 LEU 44 HD21 LEU 44 14.720 16.835 8.483
323 HD22 LEU 44 HD22 LEU 44 14.972 17.883 7.086
324 HD23 LEU 44 HD23 LEU 44 16.350 17.351 8.051
325 H LEU 45 H LEU 45 17.956 15.289 3.553
326 HA LEU 45 HA LEU 45 20.746 14.960 3.899
327 HB2 LEU 45 HB2 LEU 45 19.097 14.425 1.433
328 HB3 LEU 45 HB3 LEU 45 20.688 13.759 1.797
329 HG LEU 45 HG LEU 45 18.174 13.175 3.360
330 HD11 LEU 45 HD11 LEU 45 19.568 11.681 1.158
331 HD12 LEU 45 HD12 LEU 45 17.875 12.163 1.258
332 HD13 LEU 45 HD13 LEU 45 18.492 10.889 2.310
333 HD21 LEU 45 HD21 LEU 45 19.894 12.812 4.855
334 HD22 LEU 45 HD22 LEU 45 21.029 12.324 3.596
335 HD23 LEU 45 HD23 LEU 45 19.737 11.229 4.092
336 H HIS 46 H HIS 46 18.823 17.258 2.160
337 HA HIS 46 HA HIS 46 21.207 18.300 0.796
338 HB2 HIS 46 HB2 HIS 46 19.044 17.784 -0.479
339 HB3 HIS 46 HB3 HIS 46 18.371 19.201 0.322
340 HD1 HIS 46 HD1 HIS 46 21.413 18.378 -1.817
341 HD2 HIS 46 HD2 HIS 46 18.732 21.469 -1.098
342 HE1 HIS 46 HE1 HIS 46 22.028 20.193 -3.445
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 -0.180 -1.493 0.183
2 HA ALA 1 HA ALA 1 1.855 0.208 -0.439
3 HB1 ALA 1 HB1 ALA 1 0.986 -1.196 1.929
4 HB2 ALA 1 HB2 ALA 1 2.738 -0.996 1.909
5 HB3 ALA 1 HB3 ALA 1 1.689 0.414 1.768
6 H ASP 2 H ASP 2 3.015 -0.645 -2.223
7 HA ASP 2 HA ASP 2 4.720 -2.965 -1.713
8 HB2 ASP 2 HB2 ASP 2 4.665 -1.409 -4.284
9 HB3 ASP 2 HB3 ASP 2 5.062 -3.106 -4.027
10 H ASN 3 H ASN 3 6.923 -2.880 -1.607
11 HA ASN 3 HA ASN 3 8.081 -0.329 -0.942
12 HB2 ASN 3 HB2 ASN 3 8.919 -3.176 -0.788
13 HB3 ASN 3 HB3 ASN 3 10.203 -1.975 -0.896
14 HD21 ASN 3 HD21 ASN 3 10.698 -2.867 1.250
15 HD22 ASN 3 HD22 ASN 3 9.904 -2.182 2.623
16 H LYS 4 H LYS 4 8.741 1.030 -2.462
17 HA LYS 4 HA LYS 4 9.414 0.140 -5.114
18 HB2 LYS 4 HB2 LYS 4 9.301 2.821 -3.760
19 HB3 LYS 4 HB3 LYS 4 9.995 2.649 -5.367
20 HG2 LYS 4 HG2 LYS 4 7.994 2.409 -6.344
21 HG3 LYS 4 HG3 LYS 4 7.361 1.406 -5.036
22 HD2 LYS 4 HD2 LYS 4 6.619 3.213 -3.829
23 HD3 LYS 4 HD3 LYS 4 7.821 4.305 -4.520
24 HE2 LYS 4 HE2 LYS 4 5.730 4.959 -5.416
25 HE3 LYS 4 HE3 LYS 4 6.575 4.101 -6.703
26 HZ1 LYS 4 HZ1 LYS 4 4.460 3.211 -6.770
27 HZ2 LYS 4 HZ2 LYS 4 4.277 3.209 -5.089
28 HZ3 LYS 4 HZ3 LYS 4 5.288 2.074 -5.830
29 H CYS 5 H CYS 5 11.124 0.949 -2.213
30 HA CYS 5 HA CYS 5 13.623 1.655 -3.185
31 HB2 CYS 5 HB2 CYS 5 12.831 0.115 -0.712
32 HB3 CYS 5 HB3 CYS 5 14.488 0.616 -1.033
33 H GLU 6 H GLU 6 12.066 -1.455 -3.083
34 HA GLU 6 HA GLU 6 14.347 -3.084 -3.402
35 HB2 GLU 6 HB2 GLU 6 11.418 -3.419 -3.827
36 HB3 GLU 6 HB3 GLU 6 12.492 -4.597 -4.568
37 HG2 GLU 6 HG2 GLU 6 12.464 -3.900 -1.641
38 HG3 GLU 6 HG3 GLU 6 11.650 -5.290 -2.359
39 H ASN 7 H ASN 7 12.503 -1.153 -5.619
40 HA ASN 7 HA ASN 7 13.775 -2.380 -7.941
41 HB2 ASN 7 HB2 ASN 7 11.699 -0.188 -7.732
42 HB3 ASN 7 HB3 ASN 7 12.317 -0.843 -9.245
43 HD21 ASN 7 HD21 ASN 7 9.675 -0.915 -8.838
44 HD22 ASN 7 HD22 ASN 7 9.143 -2.528 -8.521
45 H SER 8 H SER 8 13.903 0.504 -5.991
46 HA SER 8 HA SER 8 15.982 1.595 -7.771
47 HB2 SER 8 HB2 SER 8 13.982 3.044 -7.494
48 HB3 SER 8 HB3 SER 8 14.288 3.094 -5.758
49 HG SER 8 HG SER 8 15.221 4.757 -7.455
50 H LEU 9 H LEU 9 17.961 1.241 -7.035
51 HA LEU 9 HA LEU 9 18.536 0.482 -4.365
52 HB2 LEU 9 HB2 LEU 9 20.789 0.360 -5.029
53 HB3 LEU 9 HB3 LEU 9 19.840 -0.131 -6.430
54 HG LEU 9 HG LEU 9 20.148 2.439 -7.050
55 HD11 LEU 9 HD11 LEU 9 21.510 3.477 -5.625
56 HD12 LEU 9 HD12 LEU 9 22.810 2.542 -6.362
57 HD13 LEU 9 HD13 LEU 9 22.034 1.963 -4.888
58 HD21 LEU 9 HD21 LEU 9 20.845 0.985 -8.665
59 HD22 LEU 9 HD22 LEU 9 21.826 0.035 -7.548
60 HD23 LEU 9 HD23 LEU 9 22.408 1.598 -8.125
61 H ARG 10 H ARG 10 18.728 3.522 -6.121
62 HA ARG 10 HA ARG 10 20.182 4.963 -4.170
63 HB2 ARG 10 HB2 ARG 10 18.504 5.674 -6.530
64 HB3 ARG 10 HB3 ARG 10 18.881 6.941 -5.371
65 HG2 ARG 10 HG2 ARG 10 21.278 6.473 -5.673
66 HG3 ARG 10 HG3 ARG 10 20.866 5.258 -6.885
67 HD2 ARG 10 HD2 ARG 10 21.374 7.164 -8.136
68 HD3 ARG 10 HD3 ARG 10 19.612 7.145 -8.076
69 HE ARG 10 HE ARG 10 20.630 8.684 -5.942
70 HH11 ARG 10 HH11 ARG 10 20.214 8.765 -9.398
71 HH12 ARG 10 HH12 ARG 10 20.122 10.493 -9.477
72 HH21 ARG 10 HH21 ARG 10 20.512 10.960 -6.034
73 HH22 ARG 10 HH22 ARG 10 20.293 11.741 -7.564
74 H ARG 11 H ARG 11 16.764 4.304 -4.625
75 HA ARG 11 HA ARG 11 15.749 6.188 -2.795
76 HB2 ARG 11 HB2 ARG 11 14.475 4.808 -4.534
77 HB3 ARG 11 HB3 ARG 11 14.499 3.505 -3.353
78 HG2 ARG 11 HG2 ARG 11 12.439 4.509 -3.013
79 HG3 ARG 11 HG3 ARG 11 13.449 5.217 -1.750
80 HD2 ARG 11 HD2 ARG 11 12.228 7.005 -2.700
81 HD3 ARG 11 HD3 ARG 11 13.869 7.137 -3.332
82 HE ARG 11 HE ARG 11 12.580 5.687 -5.224
83 HH11 ARG 11 HH11 ARG 11 11.928 8.731 -3.665
84 HH12 ARG 11 HH12 ARG 11 11.106 9.405 -5.034
85 HH21 ARG 11 HH21 ARG 11 11.501 6.563 -7.032
86 HH22 ARG 11 HH22 ARG 11 10.863 8.170 -6.948
87 H GLU 12 H GLU 12 16.967 2.912 -2.395
88 HA GLU 12 HA GLU 12 16.138 2.624 0.314
89 HB2 GLU 12 HB2 GLU 12 16.556 0.636 -0.940
90 HB3 GLU 12 HB3 GLU 12 18.177 1.168 -1.364
91 HG2 GLU 12 HG2 GLU 12 18.961 0.838 0.846
92 HG3 GLU 12 HG3 GLU 12 17.325 0.608 1.461
93 H ILE 13 H ILE 13 19.300 3.308 -1.177
94 HA ILE 13 HA ILE 13 20.770 3.619 1.164
95 HB ILE 13 HB ILE 13 21.156 5.086 -1.448
96 HG12 ILE 13 HG12 ILE 13 22.484 2.550 -0.477
97 HG13 ILE 13 HG13 ILE 13 21.103 2.571 -1.568
98 HG21 ILE 13 HG21 ILE 13 23.630 4.744 -0.356
99 HG22 ILE 13 HG22 ILE 13 22.676 6.222 -0.257
100 HG23 ILE 13 HG23 ILE 13 22.645 5.063 1.071
101 HD11 ILE 13 HD11 ILE 13 22.664 4.148 -2.974
102 HD12 ILE 13 HD12 ILE 13 23.929 3.318 -2.067
103 HD13 ILE 13 HD13 ILE 13 22.806 2.393 -3.064
104 H ALA 14 H ALA 14 18.701 5.895 -0.538
105 HA ALA 14 HA ALA 14 19.466 8.194 0.948
106 HB1 ALA 14 HB1 ALA 14 17.110 8.969 0.089
107 HB2 ALA 14 HB2 ALA 14 18.462 8.780 -1.028
108 HB3 ALA 14 HB3 ALA 14 17.236 7.518 -0.907
109 H CYS 15 H CYS 15 16.916 5.779 1.312
110 HA CYS 15 HA CYS 15 15.629 7.099 3.492
111 HB2 CYS 15 HB2 CYS 15 15.397 4.456 2.142
112 HB3 CYS 15 HB3 CYS 15 14.759 4.588 3.778
113 H GLY 16 H GLY 16 18.076 4.576 3.201
114 HA2 GLY 16 HA2 GLY 16 18.169 3.671 5.824
115 HA3 GLY 16 HA3 GLY 16 19.550 3.720 4.738
116 H GLN 17 H GLN 17 19.824 6.465 4.393
117 HA GLN 17 HA GLN 17 21.267 7.155 6.727
118 HB2 GLN 17 HB2 GLN 17 20.502 8.679 4.247
119 HB3 GLN 17 HB3 GLN 17 21.389 9.442 5.560
120 HG2 GLN 17 HG2 GLN 17 22.975 7.371 5.259
121 HG3 GLN 17 HG3 GLN 17 22.262 7.343 3.647
122 HE21 GLN 17 HE21 GLN 17 24.002 7.989 2.495
123 HE22 GLN 17 HE22 GLN 17 24.751 9.537 2.656
124 H CYS 18 H CYS 18 18.335 8.596 5.296
125 HA CYS 18 HA CYS 18 17.809 10.427 7.327
126 HB2 CYS 18 HB2 CYS 18 16.226 9.147 5.169
127 HB3 CYS 18 HB3 CYS 18 15.312 9.883 6.481
128 H ARG 19 H ARG 19 17.133 7.004 7.120
129 HA ARG 19 HA ARG 19 15.222 6.757 9.137
130 HB2 ARG 19 HB2 ARG 19 15.679 4.883 7.727
131 HB3 ARG 19 HB3 ARG 19 17.374 4.865 8.196
132 HG2 ARG 19 HG2 ARG 19 16.709 4.237 10.482
133 HG3 ARG 19 HG3 ARG 19 15.026 4.190 9.955
134 HD2 ARG 19 HD2 ARG 19 15.280 2.218 8.893
135 HD3 ARG 19 HD3 ARG 19 16.895 2.624 8.313
136 HE ARG 19 HE ARG 19 16.832 2.122 11.127
137 HH11 ARG 19 HH11 ARG 19 16.964 0.614 7.992
138 HH12 ARG 19 HH12 ARG 19 17.741 -0.822 8.572
139 HH21 ARG 19 HH21 ARG 19 17.854 0.236 11.902
140 HH22 ARG 19 HH22 ARG 19 18.245 -1.037 10.796
141 H ASP 20 H ASP 20 18.728 6.987 9.311
142 HA ASP 20 HA ASP 20 18.792 6.498 12.156
143 HB2 ASP 20 HB2 ASP 20 20.928 7.400 10.215
144 HB3 ASP 20 HB3 ASP 20 21.217 7.073 11.921
145 H LYS 21 H LYS 21 19.386 9.286 10.026
146 HA LYS 21 HA LYS 21 19.905 11.174 12.013
147 HB2 LYS 21 HB2 LYS 21 18.601 11.573 9.314
148 HB3 LYS 21 HB3 LYS 21 19.255 12.861 10.318
149 HG2 LYS 21 HG2 LYS 21 21.034 10.600 9.567
150 HG3 LYS 21 HG3 LYS 21 20.647 11.821 8.353
151 HD2 LYS 21 HD2 LYS 21 22.583 12.654 9.331
152 HD3 LYS 21 HD3 LYS 21 21.306 13.518 10.190
153 HE2 LYS 21 HE2 LYS 21 21.587 12.267 12.123
154 HE3 LYS 21 HE3 LYS 21 22.366 10.937 11.268
155 HZ1 LYS 21 HZ1 LYS 21 23.700 13.547 11.309
156 HZ2 LYS 21 HZ2 LYS 21 24.371 11.995 11.256
157 HZ3 LYS 21 HZ3 LYS 21 23.749 12.598 12.709
158 H VAL 22 H VAL 22 16.830 10.702 10.260
159 HA VAL 22 HA VAL 22 15.267 12.410 11.782
160 HB VAL 22 HB VAL 22 14.361 9.826 10.505
161 HG11 VAL 22 HG11 VAL 22 12.967 12.011 11.867
162 HG12 VAL 22 HG12 VAL 22 12.306 11.605 10.282
163 HG13 VAL 22 HG13 VAL 22 12.439 10.363 11.528
164 HG21 VAL 22 HG21 VAL 22 15.487 12.098 9.304
165 HG22 VAL 22 HG22 VAL 22 14.652 10.763 8.510
166 HG23 VAL 22 HG23 VAL 22 13.752 12.196 9.004
167 H LYS 23 H LYS 23 16.426 9.222 12.517
168 HA LYS 23 HA LYS 23 16.230 7.876 14.341
169 HB2 LYS 23 HB2 LYS 23 15.762 10.600 15.524
170 HB3 LYS 23 HB3 LYS 23 15.712 9.157 16.528
171 HG2 LYS 23 HG2 LYS 23 18.013 8.615 15.739
172 HG3 LYS 23 HG3 LYS 23 18.043 10.181 14.925
173 HD2 LYS 23 HD2 LYS 23 17.313 10.103 17.809
174 HD3 LYS 23 HD3 LYS 23 19.007 9.869 17.368
175 HE2 LYS 23 HE2 LYS 23 18.803 12.176 17.709
176 HE3 LYS 23 HE3 LYS 23 18.747 11.983 15.958
177 HZ1 LYS 23 HZ1 LYS 23 16.225 11.996 17.457
178 HZ2 LYS 23 HZ2 LYS 23 16.539 12.510 15.877
179 HZ3 LYS 23 HZ3 LYS 23 17.014 13.469 17.188
180 H THR 24 H THR 24 14.118 7.524 12.822
181 HA THR 24 HA THR 24 11.904 7.301 14.738
182 HB THR 24 HB THR 24 11.610 8.212 11.869
183 HG1 THR 24 HG1 THR 24 10.718 9.628 14.140
184 HG21 THR 24 HG21 THR 24 9.772 6.880 13.637
185 HG22 THR 24 HG22 THR 24 9.544 7.381 11.961
186 HG23 THR 24 HG23 THR 24 9.199 8.507 13.273
187 H ASP 25 H ASP 25 11.484 5.215 14.988
188 HA ASP 25 HA ASP 25 12.399 3.185 13.267
189 HB2 ASP 25 HB2 ASP 25 10.870 1.704 14.612
190 HB3 ASP 25 HB3 ASP 25 12.003 2.656 15.567
191 H GLY 26 H GLY 26 11.571 2.312 11.474
192 HA2 GLY 26 HA2 GLY 26 9.844 1.524 10.072
193 HA3 GLY 26 HA3 GLY 26 8.708 2.553 10.932
194 H TYR 27 H TYR 27 10.944 4.704 10.580
195 HA TYR 27 HA TYR 27 9.744 6.163 8.561
196 HB2 TYR 27 HB2 TYR 27 11.371 7.019 10.282
197 HB3 TYR 27 HB3 TYR 27 12.669 6.343 9.304
198 HD1 TYR 27 HD1 TYR 27 10.070 8.940 9.471
199 HD2 TYR 27 HD2 TYR 27 13.363 7.403 7.259
200 HE1 TYR 27 HE1 TYR 27 10.133 11.007 8.141
201 HE2 TYR 27 HE2 TYR 27 13.436 9.467 5.923
202 HH TYR 27 HH TYR 27 11.372 12.219 6.678
203 H PHE 28 H PHE 28 12.611 4.076 8.361
204 HA PHE 28 HA PHE 28 13.307 4.515 5.720
205 HB2 PHE 28 HB2 PHE 28 14.749 3.217 7.129
206 HB3 PHE 28 HB3 PHE 28 13.499 2.006 7.390
207 HD1 PHE 28 HD1 PHE 28 12.950 0.390 5.656
208 HD2 PHE 28 HD2 PHE 28 16.052 3.254 5.114
209 HE1 PHE 28 HE1 PHE 28 13.810 -0.908 3.751
210 HE2 PHE 28 HE2 PHE 28 16.917 1.961 3.207
211 HZ PHE 28 HZ PHE 28 15.797 -0.123 2.524
212 H TYR 29 H TYR 29 10.969 2.195 7.034
213 HA TYR 29 HA TYR 29 10.262 1.149 4.465
214 HB2 TYR 29 HB2 TYR 29 10.051 -0.110 6.628
215 HB3 TYR 29 HB3 TYR 29 8.700 0.937 7.045
216 HD1 TYR 29 HD1 TYR 29 6.579 0.776 5.823
217 HD2 TYR 29 HD2 TYR 29 9.813 -1.859 4.989
218 HE1 TYR 29 HE1 TYR 29 5.041 -0.722 4.622
219 HE2 TYR 29 HE2 TYR 29 8.285 -3.363 3.785
220 HH TYR 29 HH TYR 29 5.870 -3.879 3.736
221 H GLU 30 H GLU 30 9.240 3.819 6.406
222 HA GLU 30 HA GLU 30 6.678 4.175 5.193
223 HB2 GLU 30 HB2 GLU 30 7.304 5.064 7.440
224 HB3 GLU 30 HB3 GLU 30 8.366 6.218 6.645
225 HG2 GLU 30 HG2 GLU 30 6.542 7.530 6.898
226 HG3 GLU 30 HG3 GLU 30 6.145 6.809 5.339
227 H CYS 31 H CYS 31 9.771 5.917 4.866
228 HA CYS 31 HA CYS 31 8.936 7.585 2.758
229 HB2 CYS 31 HB2 CYS 31 11.372 7.950 2.379
230 HB3 CYS 31 HB3 CYS 31 10.891 8.149 4.061
231 H CYS 32 H CYS 32 10.092 4.310 2.834
232 HA CYS 32 HA CYS 32 10.881 4.069 0.134
233 HB2 CYS 32 HB2 CYS 32 10.202 2.192 2.338
234 HB3 CYS 32 HB3 CYS 32 10.158 1.552 0.698
235 H THR 33 H THR 33 7.790 4.127 1.674
236 HA THR 33 HA THR 33 6.515 3.544 -0.918
237 HB THR 33 HB THR 33 4.682 2.455 0.148
238 HG1 THR 33 HG1 THR 33 5.825 3.522 2.493
239 HG21 THR 33 HG21 THR 33 5.793 0.572 1.332
240 HG22 THR 33 HG22 THR 33 7.289 1.507 1.341
241 HG23 THR 33 HG23 THR 33 6.576 0.997 -0.189
242 H SER 34 H SER 34 7.331 6.061 0.596
243 HA SER 34 HA SER 34 4.735 7.409 0.326
244 HB2 SER 34 HB2 SER 34 5.158 7.123 2.724
245 HB3 SER 34 HB3 SER 34 6.737 7.887 2.548
246 HG SER 34 HG SER 34 4.414 9.240 1.723
247 H ASP 35 H ASP 35 5.075 8.519 -1.509
248 HA ASP 35 HA ASP 35 7.562 9.596 -2.312
249 HB2 ASP 35 HB2 ASP 35 4.727 9.936 -3.229
250 HB3 ASP 35 HB3 ASP 35 5.985 10.989 -3.869
251 H SER 36 H SER 36 4.923 10.844 -0.403
252 HA SER 36 HA SER 36 5.714 13.585 -0.534
253 HB2 SER 36 HB2 SER 36 3.926 12.119 1.419
254 HB3 SER 36 HB3 SER 36 4.130 13.870 1.375
255 HG SER 36 HG SER 36 3.047 13.972 -0.484
256 H THR 37 H THR 37 6.077 11.038 1.920
257 HA THR 37 HA THR 37 7.436 12.527 3.841
258 HB THR 37 HB THR 37 7.757 9.586 3.210
259 HG1 THR 37 HG1 THR 37 6.188 9.369 4.880
260 HG21 THR 37 HG21 THR 37 9.583 10.205 4.591
261 HG22 THR 37 HG22 THR 37 8.381 9.491 5.666
262 HG23 THR 37 HG23 THR 37 8.567 11.242 5.591
263 H PHE 38 H PHE 38 8.536 11.207 0.830
264 HA PHE 38 HA PHE 38 11.316 11.202 1.388
265 HB2 PHE 38 HB2 PHE 38 10.051 10.050 -0.544
266 HB3 PHE 38 HB3 PHE 38 10.146 11.610 -1.355
267 HD1 PHE 38 HD1 PHE 38 12.389 9.251 0.473
268 HD2 PHE 38 HD2 PHE 38 11.897 11.935 -2.793
269 HE1 PHE 38 HE1 PHE 38 14.650 8.693 -0.321
270 HE2 PHE 38 HE2 PHE 38 14.157 11.381 -3.593
271 HZ PHE 38 HZ PHE 38 15.537 9.760 -2.356
272 H LYS 39 H LYS 39 9.071 13.641 0.270
273 HA LYS 39 HA LYS 39 10.800 15.542 -0.763
274 HB2 LYS 39 HB2 LYS 39 8.237 15.871 0.796
275 HB3 LYS 39 HB3 LYS 39 9.073 17.217 0.033
276 HG2 LYS 39 HG2 LYS 39 8.876 15.970 -2.140
277 HG3 LYS 39 HG3 LYS 39 7.813 14.836 -1.302
278 HD2 LYS 39 HD2 LYS 39 6.151 16.428 -0.993
279 HD3 LYS 39 HD3 LYS 39 7.269 17.779 -1.195
280 HE2 LYS 39 HE2 LYS 39 7.430 17.365 -3.554
281 HE3 LYS 39 HE3 LYS 39 6.498 15.876 -3.403
282 HZ1 LYS 39 HZ1 LYS 39 5.107 17.633 -4.235
283 HZ2 LYS 39 HZ2 LYS 39 5.498 18.632 -2.928
284 HZ3 LYS 39 HZ3 LYS 39 4.597 17.222 -2.675
285 H LYS 40 H LYS 40 9.724 15.169 2.610
286 HA LYS 40 HA LYS 40 11.246 17.286 3.661
287 HB2 LYS 40 HB2 LYS 40 10.015 14.822 4.858
288 HB3 LYS 40 HB3 LYS 40 11.010 15.891 5.838
289 HG2 LYS 40 HG2 LYS 40 8.767 16.540 6.184
290 HG3 LYS 40 HG3 LYS 40 9.490 17.769 5.144
291 HD2 LYS 40 HD2 LYS 40 8.442 16.819 3.200
292 HD3 LYS 40 HD3 LYS 40 7.853 15.443 4.137
293 HE2 LYS 40 HE2 LYS 40 6.097 17.117 3.712
294 HE3 LYS 40 HE3 LYS 40 6.416 16.896 5.432
295 HZ1 LYS 40 HZ1 LYS 40 7.351 18.954 5.619
296 HZ2 LYS 40 HZ2 LYS 40 6.222 19.272 4.400
297 HZ3 LYS 40 HZ3 LYS 40 7.847 19.019 4.003
298 H CYS 41 H CYS 41 11.910 13.785 3.607
299 HA CYS 41 HA CYS 41 14.396 13.832 4.839
300 HB2 CYS 41 HB2 CYS 41 13.292 11.736 4.445
301 HB3 CYS 41 HB3 CYS 41 13.309 11.992 2.703
302 H GLN 42 H GLN 42 13.532 14.429 1.479
303 HA GLN 42 HA GLN 42 16.075 14.394 0.340
304 HB2 GLN 42 HB2 GLN 42 13.486 15.702 -0.343
305 HB3 GLN 42 HB3 GLN 42 14.929 16.235 -1.196
306 HG2 GLN 42 HG2 GLN 42 14.298 13.325 -1.013
307 HG3 GLN 42 HG3 GLN 42 13.460 14.342 -2.184
308 HE21 GLN 42 HE21 GLN 42 14.346 14.377 -4.109
309 HE22 GLN 42 HE22 GLN 42 16.021 14.157 -4.471
310 H ASP 43 H ASP 43 14.418 16.896 2.158
311 HA ASP 43 HA ASP 43 16.275 18.976 1.582
312 HB2 ASP 43 HB2 ASP 43 13.911 19.295 2.407
313 HB3 ASP 43 HB3 ASP 43 14.468 18.774 3.995
314 H LEU 44 H LEU 44 15.978 16.579 4.150
315 HA LEU 44 HA LEU 44 17.951 17.599 5.868
316 HB2 LEU 44 HB2 LEU 44 17.330 14.682 5.492
317 HB3 LEU 44 HB3 LEU 44 17.920 15.487 6.945
318 HG LEU 44 HG LEU 44 15.157 15.684 5.754
319 HD11 LEU 44 HD11 LEU 44 15.556 14.871 8.542
320 HD12 LEU 44 HD12 LEU 44 16.177 13.737 7.344
321 HD13 LEU 44 HD13 LEU 44 14.481 14.216 7.307
322 HD21 LEU 44 HD21 LEU 44 15.490 17.822 6.588
323 HD22 LEU 44 HD22 LEU 44 16.521 17.259 7.904
324 HD23 LEU 44 HD23 LEU 44 14.780 16.975 7.962
325 H LEU 45 H LEU 45 18.175 15.064 3.374
326 HA LEU 45 HA LEU 45 20.974 14.709 3.648
327 HB2 LEU 45 HB2 LEU 45 19.231 14.086 1.271
328 HB3 LEU 45 HB3 LEU 45 20.831 13.425 1.598
329 HG LEU 45 HG LEU 45 18.545 12.956 3.484
330 HD11 LEU 45 HD11 LEU 45 18.174 10.810 2.304
331 HD12 LEU 45 HD12 LEU 45 19.225 11.379 1.007
332 HD13 LEU 45 HD13 LEU 45 17.715 12.222 1.352
333 HD21 LEU 45 HD21 LEU 45 20.550 10.886 3.009
334 HD22 LEU 45 HD22 LEU 45 19.947 11.558 4.525
335 HD23 LEU 45 HD23 LEU 45 21.220 12.393 3.633
336 H HIS 46 H HIS 46 19.011 16.956 1.892
337 HA HIS 46 HA HIS 46 21.346 17.909 0.388
338 HB2 HIS 46 HB2 HIS 46 19.198 17.397 -0.833
339 HB3 HIS 46 HB3 HIS 46 18.464 18.745 0.031
340 HD1 HIS 46 HD1 HIS 46 18.069 20.055 -2.155
341 HD2 HIS 46 HD2 HIS 46 22.061 19.186 -1.402
342 HE1 HIS 46 HE1 HIS 46 19.381 21.473 -3.765
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 0.937 -3.450 -1.228
2 HA ALA 1 HA ALA 1 1.639 -0.683 -1.694
3 HB1 ALA 1 HB1 ALA 1 2.972 -0.632 0.489
4 HB2 ALA 1 HB2 ALA 1 1.227 -0.393 0.590
5 HB3 ALA 1 HB3 ALA 1 1.929 -1.956 1.008
6 H ASP 2 H ASP 2 3.298 -0.810 -3.042
7 HA ASP 2 HA ASP 2 5.117 -3.103 -2.867
8 HB2 ASP 2 HB2 ASP 2 5.128 -1.096 -5.102
9 HB3 ASP 2 HB3 ASP 2 5.624 -2.786 -5.129
10 H ASN 3 H ASN 3 7.271 -2.889 -2.495
11 HA ASN 3 HA ASN 3 8.157 -0.412 -1.322
12 HB2 ASN 3 HB2 ASN 3 9.210 -3.186 -1.533
13 HB3 ASN 3 HB3 ASN 3 10.386 -1.897 -1.296
14 HD21 ASN 3 HD21 ASN 3 10.881 -1.558 0.734
15 HD22 ASN 3 HD22 ASN 3 9.837 -1.777 2.093
16 H LYS 4 H LYS 4 8.506 1.172 -2.783
17 HA LYS 4 HA LYS 4 9.543 0.810 -5.375
18 HB2 LYS 4 HB2 LYS 4 9.629 3.305 -3.669
19 HB3 LYS 4 HB3 LYS 4 9.808 3.236 -5.418
20 HG2 LYS 4 HG2 LYS 4 7.332 2.151 -4.162
21 HG3 LYS 4 HG3 LYS 4 7.527 3.896 -4.340
22 HD2 LYS 4 HD2 LYS 4 7.842 1.937 -6.609
23 HD3 LYS 4 HD3 LYS 4 6.329 2.764 -6.232
24 HE2 LYS 4 HE2 LYS 4 7.039 4.405 -7.562
25 HE3 LYS 4 HE3 LYS 4 8.198 4.801 -6.293
26 HZ1 LYS 4 HZ1 LYS 4 9.153 2.667 -7.899
27 HZ2 LYS 4 HZ2 LYS 4 9.863 4.171 -7.591
28 HZ3 LYS 4 HZ3 LYS 4 8.766 3.999 -8.867
29 H CYS 5 H CYS 5 11.065 1.148 -2.277
30 HA CYS 5 HA CYS 5 13.671 1.753 -3.371
31 HB2 CYS 5 HB2 CYS 5 14.437 1.572 -1.030
32 HB3 CYS 5 HB3 CYS 5 13.068 2.666 -1.195
33 H GLU 6 H GLU 6 11.855 -1.049 -2.434
34 HA GLU 6 HA GLU 6 13.883 -2.890 -1.954
35 HB2 GLU 6 HB2 GLU 6 11.620 -3.505 -1.505
36 HB3 GLU 6 HB3 GLU 6 11.147 -3.234 -3.176
37 HG2 GLU 6 HG2 GLU 6 11.280 -5.594 -2.734
38 HG3 GLU 6 HG3 GLU 6 12.547 -5.126 -3.866
39 H ASN 7 H ASN 7 12.715 -1.547 -4.952
40 HA ASN 7 HA ASN 7 14.415 -3.381 -6.487
41 HB2 ASN 7 HB2 ASN 7 13.216 -2.537 -8.467
42 HB3 ASN 7 HB3 ASN 7 12.103 -3.182 -7.264
43 HD21 ASN 7 HD21 ASN 7 10.430 -1.973 -6.747
44 HD22 ASN 7 HD22 ASN 7 10.282 -0.274 -7.022
45 H SER 8 H SER 8 14.099 -0.083 -5.480
46 HA SER 8 HA SER 8 16.216 0.781 -7.309
47 HB2 SER 8 HB2 SER 8 14.439 2.363 -5.436
48 HB3 SER 8 HB3 SER 8 15.677 3.066 -6.477
49 HG SER 8 HG SER 8 13.489 3.061 -7.346
50 H LEU 9 H LEU 9 18.237 0.584 -6.633
51 HA LEU 9 HA LEU 9 18.952 0.106 -3.932
52 HB2 LEU 9 HB2 LEU 9 21.180 0.007 -4.683
53 HB3 LEU 9 HB3 LEU 9 20.195 -0.652 -5.987
54 HG LEU 9 HG LEU 9 20.379 1.893 -6.816
55 HD11 LEU 9 HD11 LEU 9 22.159 3.048 -6.089
56 HD12 LEU 9 HD12 LEU 9 23.169 1.608 -5.956
57 HD13 LEU 9 HD13 LEU 9 22.031 2.008 -4.669
58 HD21 LEU 9 HD21 LEU 9 20.995 0.422 -8.418
59 HD22 LEU 9 HD22 LEU 9 21.940 -0.567 -7.304
60 HD23 LEU 9 HD23 LEU 9 22.614 0.934 -7.942
61 H ARG 10 H ARG 10 18.946 2.970 -5.973
62 HA ARG 10 HA ARG 10 20.403 4.637 -4.197
63 HB2 ARG 10 HB2 ARG 10 18.779 5.005 -6.647
64 HB3 ARG 10 HB3 ARG 10 18.933 6.411 -5.601
65 HG2 ARG 10 HG2 ARG 10 21.455 5.936 -5.675
66 HG3 ARG 10 HG3 ARG 10 21.072 4.911 -7.059
67 HD2 ARG 10 HD2 ARG 10 20.129 6.767 -8.248
68 HD3 ARG 10 HD3 ARG 10 20.270 7.806 -6.831
69 HE ARG 10 HE ARG 10 22.824 6.925 -7.400
70 HH11 ARG 10 HH11 ARG 10 20.340 8.761 -9.007
71 HH12 ARG 10 HH12 ARG 10 21.457 9.707 -9.934
72 HH21 ARG 10 HH21 ARG 10 24.304 8.164 -8.615
73 HH22 ARG 10 HH22 ARG 10 23.712 9.366 -9.711
74 H ARG 11 H ARG 11 16.932 4.144 -4.755
75 HA ARG 11 HA ARG 11 16.010 6.072 -2.933
76 HB2 ARG 11 HB2 ARG 11 14.644 4.906 -4.694
77 HB3 ARG 11 HB3 ARG 11 14.624 3.488 -3.655
78 HG2 ARG 11 HG2 ARG 11 12.587 4.573 -3.266
79 HG3 ARG 11 HG3 ARG 11 13.601 4.985 -1.881
80 HD2 ARG 11 HD2 ARG 11 13.793 7.171 -2.497
81 HD3 ARG 11 HD3 ARG 11 13.659 6.810 -4.217
82 HE ARG 11 HE ARG 11 11.405 7.136 -4.063
83 HH11 ARG 11 HH11 ARG 11 12.687 6.617 -0.868
84 HH12 ARG 11 HH12 ARG 11 11.191 6.973 -0.069
85 HH21 ARG 11 HH21 ARG 11 9.430 7.606 -3.022
86 HH22 ARG 11 HH22 ARG 11 9.339 7.534 -1.295
87 H GLU 12 H GLU 12 17.035 2.745 -2.510
88 HA GLU 12 HA GLU 12 16.054 2.458 0.149
89 HB2 GLU 12 HB2 GLU 12 16.770 0.637 -1.569
90 HB3 GLU 12 HB3 GLU 12 18.384 0.905 -0.927
91 HG2 GLU 12 HG2 GLU 12 17.124 0.573 1.375
92 HG3 GLU 12 HG3 GLU 12 16.012 -0.331 0.348
93 H ILE 13 H ILE 13 19.254 3.186 -1.210
94 HA ILE 13 HA ILE 13 20.594 3.400 1.265
95 HB ILE 13 HB ILE 13 21.271 4.707 -1.373
96 HG12 ILE 13 HG12 ILE 13 22.579 2.257 -0.231
97 HG13 ILE 13 HG13 ILE 13 21.083 2.119 -1.148
98 HG21 ILE 13 HG21 ILE 13 22.593 5.876 0.091
99 HG22 ILE 13 HG22 ILE 13 22.691 4.542 1.239
100 HG23 ILE 13 HG23 ILE 13 23.635 4.495 -0.250
101 HD11 ILE 13 HD11 ILE 13 22.189 3.237 -3.046
102 HD12 ILE 13 HD12 ILE 13 23.693 3.248 -2.124
103 HD13 ILE 13 HD13 ILE 13 22.955 1.716 -2.591
104 H ALA 14 H ALA 14 18.597 5.603 -0.531
105 HA ALA 14 HA ALA 14 19.454 8.002 0.731
106 HB1 ALA 14 HB1 ALA 14 17.772 7.359 -1.371
107 HB2 ALA 14 HB2 ALA 14 16.698 8.059 -0.160
108 HB3 ALA 14 HB3 ALA 14 18.091 8.974 -0.736
109 H CYS 15 H CYS 15 16.602 5.923 1.230
110 HA CYS 15 HA CYS 15 15.624 7.361 3.461
111 HB2 CYS 15 HB2 CYS 15 15.067 4.704 2.226
112 HB3 CYS 15 HB3 CYS 15 14.489 4.990 3.864
113 H GLY 16 H GLY 16 17.962 4.793 3.106
114 HA2 GLY 16 HA2 GLY 16 18.042 3.791 5.705
115 HA3 GLY 16 HA3 GLY 16 19.413 3.838 4.606
116 H GLN 17 H GLN 17 19.777 6.568 4.331
117 HA GLN 17 HA GLN 17 21.232 7.162 6.685
118 HB2 GLN 17 HB2 GLN 17 20.496 8.874 4.309
119 HB3 GLN 17 HB3 GLN 17 21.577 9.398 5.593
120 HG2 GLN 17 HG2 GLN 17 23.069 7.508 5.064
121 HG3 GLN 17 HG3 GLN 17 22.007 7.079 3.725
122 HE21 GLN 17 HE21 GLN 17 21.498 9.103 2.307
123 HE22 GLN 17 HE22 GLN 17 22.888 10.006 1.821
124 H CYS 18 H CYS 18 18.366 8.736 5.260
125 HA CYS 18 HA CYS 18 17.892 10.548 7.321
126 HB2 CYS 18 HB2 CYS 18 16.152 9.281 5.234
127 HB3 CYS 18 HB3 CYS 18 15.424 10.291 6.480
128 H ARG 19 H ARG 19 17.098 7.156 7.049
129 HA ARG 19 HA ARG 19 15.157 6.932 9.034
130 HB2 ARG 19 HB2 ARG 19 15.617 5.072 7.587
131 HB3 ARG 19 HB3 ARG 19 17.284 4.987 8.139
132 HG2 ARG 19 HG2 ARG 19 16.463 4.375 10.391
133 HG3 ARG 19 HG3 ARG 19 14.821 4.350 9.745
134 HD2 ARG 19 HD2 ARG 19 15.118 2.361 8.751
135 HD3 ARG 19 HD3 ARG 19 16.736 2.779 8.190
136 HE ARG 19 HE ARG 19 16.086 1.234 10.474
137 HH11 ARG 19 HH11 ARG 19 18.341 3.622 9.319
138 HH12 ARG 19 HH12 ARG 19 19.616 3.121 10.380
139 HH21 ARG 19 HH21 ARG 19 17.756 0.565 11.875
140 HH22 ARG 19 HH22 ARG 19 19.282 1.381 11.833
141 H ASP 20 H ASP 20 18.663 7.076 9.271
142 HA ASP 20 HA ASP 20 18.666 6.549 12.110
143 HB2 ASP 20 HB2 ASP 20 20.530 6.056 10.316
144 HB3 ASP 20 HB3 ASP 20 21.020 7.710 10.672
145 H LYS 21 H LYS 21 19.555 9.342 10.077
146 HA LYS 21 HA LYS 21 19.997 11.177 12.107
147 HB2 LYS 21 HB2 LYS 21 18.921 11.598 9.316
148 HB3 LYS 21 HB3 LYS 21 19.404 12.912 10.380
149 HG2 LYS 21 HG2 LYS 21 21.333 10.715 9.793
150 HG3 LYS 21 HG3 LYS 21 21.058 11.984 8.598
151 HD2 LYS 21 HD2 LYS 21 21.746 12.564 11.471
152 HD3 LYS 21 HD3 LYS 21 22.969 12.366 10.214
153 HE2 LYS 21 HE2 LYS 21 20.746 14.406 10.235
154 HE3 LYS 21 HE3 LYS 21 22.449 14.721 10.566
155 HZ1 LYS 21 HZ1 LYS 21 22.613 15.141 8.402
156 HZ2 LYS 21 HZ2 LYS 21 21.102 14.466 8.054
157 HZ3 LYS 21 HZ3 LYS 21 22.470 13.475 8.146
158 H VAL 22 H VAL 22 16.994 10.805 10.212
159 HA VAL 22 HA VAL 22 15.420 12.576 11.657
160 HB VAL 22 HB VAL 22 14.537 10.033 10.285
161 HG11 VAL 22 HG11 VAL 22 12.591 10.506 11.303
162 HG12 VAL 22 HG12 VAL 22 13.074 12.161 11.682
163 HG13 VAL 22 HG13 VAL 22 12.459 11.766 10.077
164 HG21 VAL 22 HG21 VAL 22 14.203 11.324 8.332
165 HG22 VAL 22 HG22 VAL 22 14.464 12.838 9.197
166 HG23 VAL 22 HG23 VAL 22 15.814 11.738 8.918
167 H LYS 23 H LYS 23 16.462 9.371 12.459
168 HA LYS 23 HA LYS 23 16.110 8.016 14.255
169 HB2 LYS 23 HB2 LYS 23 15.654 10.735 15.476
170 HB3 LYS 23 HB3 LYS 23 15.654 9.259 16.433
171 HG2 LYS 23 HG2 LYS 23 17.951 10.238 14.749
172 HG3 LYS 23 HG3 LYS 23 17.810 10.420 16.499
173 HD2 LYS 23 HD2 LYS 23 17.701 7.947 16.693
174 HD3 LYS 23 HD3 LYS 23 17.982 7.832 14.954
175 HE2 LYS 23 HE2 LYS 23 20.097 7.534 15.910
176 HE3 LYS 23 HE3 LYS 23 20.086 9.217 15.386
177 HZ1 LYS 23 HZ1 LYS 23 20.537 8.210 17.955
178 HZ2 LYS 23 HZ2 LYS 23 19.101 9.101 18.003
179 HZ3 LYS 23 HZ3 LYS 23 20.528 9.825 17.452
180 H THR 24 H THR 24 14.062 7.686 12.700
181 HA THR 24 HA THR 24 11.757 7.633 14.516
182 HB THR 24 HB THR 24 11.638 8.472 11.613
183 HG1 THR 24 HG1 THR 24 12.262 10.043 13.331
184 HG21 THR 24 HG21 THR 24 9.181 8.873 12.262
185 HG22 THR 24 HG22 THR 24 9.500 7.772 13.603
186 HG23 THR 24 HG23 THR 24 9.689 7.216 11.940
187 H ASP 25 H ASP 25 11.233 5.578 14.812
188 HA ASP 25 HA ASP 25 12.111 3.471 13.139
189 HB2 ASP 25 HB2 ASP 25 10.299 3.691 15.504
190 HB3 ASP 25 HB3 ASP 25 10.265 2.208 14.553
191 H GLY 26 H GLY 26 11.209 2.538 11.407
192 HA2 GLY 26 HA2 GLY 26 9.455 1.790 10.032
193 HA3 GLY 26 HA3 GLY 26 8.352 2.845 10.902
194 H TYR 27 H TYR 27 10.542 4.998 10.508
195 HA TYR 27 HA TYR 27 9.333 6.395 8.444
196 HB2 TYR 27 HB2 TYR 27 10.827 7.413 10.128
197 HB3 TYR 27 HB3 TYR 27 12.207 6.633 9.362
198 HD1 TYR 27 HD1 TYR 27 9.476 9.077 8.733
199 HD2 TYR 27 HD2 TYR 27 13.328 7.677 7.591
200 HE1 TYR 27 HE1 TYR 27 9.726 11.008 7.231
201 HE2 TYR 27 HE2 TYR 27 13.589 9.605 6.086
202 HH TYR 27 HH TYR 27 10.973 11.957 5.644
203 H PHE 28 H PHE 28 12.247 4.370 8.341
204 HA PHE 28 HA PHE 28 13.006 4.786 5.716
205 HB2 PHE 28 HB2 PHE 28 14.426 3.521 7.176
206 HB3 PHE 28 HB3 PHE 28 13.184 2.298 7.419
207 HD1 PHE 28 HD1 PHE 28 15.673 3.634 5.082
208 HD2 PHE 28 HD2 PHE 28 12.807 0.571 5.803
209 HE1 PHE 28 HE1 PHE 28 16.602 2.329 3.214
210 HE2 PHE 28 HE2 PHE 28 13.731 -0.739 3.938
211 HZ PHE 28 HZ PHE 28 15.632 0.139 2.641
212 H TYR 29 H TYR 29 10.699 2.402 6.982
213 HA TYR 29 HA TYR 29 10.060 1.365 4.391
214 HB2 TYR 29 HB2 TYR 29 9.839 -0.036 6.377
215 HB3 TYR 29 HB3 TYR 29 8.639 1.065 7.046
216 HD1 TYR 29 HD1 TYR 29 9.281 -1.382 4.351
217 HD2 TYR 29 HD2 TYR 29 6.357 0.936 6.394
218 HE1 TYR 29 HE1 TYR 29 7.499 -2.661 3.239
219 HE2 TYR 29 HE2 TYR 29 4.566 -0.338 5.289
220 HH TYR 29 HH TYR 29 4.185 -2.393 4.178
221 H GLU 30 H GLU 30 8.989 4.023 6.291
222 HA GLU 30 HA GLU 30 6.407 4.303 5.087
223 HB2 GLU 30 HB2 GLU 30 6.877 5.223 7.306
224 HB3 GLU 30 HB3 GLU 30 8.088 6.295 6.619
225 HG2 GLU 30 HG2 GLU 30 6.209 7.638 6.924
226 HG3 GLU 30 HG3 GLU 30 6.208 7.255 5.204
227 H CYS 31 H CYS 31 9.457 6.123 4.762
228 HA CYS 31 HA CYS 31 8.588 7.761 2.646
229 HB2 CYS 31 HB2 CYS 31 11.025 8.164 2.264
230 HB3 CYS 31 HB3 CYS 31 10.522 8.391 3.936
231 H CYS 32 H CYS 32 9.852 4.521 2.733
232 HA CYS 32 HA CYS 32 10.686 4.256 0.071
233 HB2 CYS 32 HB2 CYS 32 9.853 2.385 2.230
234 HB3 CYS 32 HB3 CYS 32 9.890 1.757 0.586
235 H THR 33 H THR 33 7.537 4.431 1.459
236 HA THR 33 HA THR 33 6.367 3.951 -1.197
237 HB THR 33 HB THR 33 4.482 2.798 -0.269
238 HG1 THR 33 HG1 THR 33 4.111 2.652 1.881
239 HG21 THR 33 HG21 THR 33 6.468 1.336 1.306
240 HG22 THR 33 HG22 THR 33 7.012 1.742 -0.322
241 HG23 THR 33 HG23 THR 33 5.527 0.818 -0.093
242 H SER 34 H SER 34 7.097 6.354 0.529
243 HA SER 34 HA SER 34 4.495 7.696 0.270
244 HB2 SER 34 HB2 SER 34 5.130 7.136 2.688
245 HB3 SER 34 HB3 SER 34 6.413 8.333 2.510
246 HG SER 34 HG SER 34 4.973 9.900 2.510
247 H ASP 35 H ASP 35 4.856 8.943 -1.467
248 HA ASP 35 HA ASP 35 7.350 10.086 -2.149
249 HB2 ASP 35 HB2 ASP 35 6.066 11.381 -3.814
250 HB3 ASP 35 HB3 ASP 35 5.637 9.673 -3.834
251 H SER 36 H SER 36 4.537 11.317 -0.417
252 HA SER 36 HA SER 36 5.366 14.011 -0.274
253 HB2 SER 36 HB2 SER 36 3.496 12.375 1.444
254 HB3 SER 36 HB3 SER 36 3.763 14.100 1.696
255 HG SER 36 HG SER 36 1.942 13.373 0.269
256 H THR 37 H THR 37 6.269 11.179 1.494
257 HA THR 37 HA THR 37 7.436 12.633 3.703
258 HB THR 37 HB THR 37 7.794 9.714 3.005
259 HG1 THR 37 HG1 THR 37 5.810 11.040 4.559
260 HG21 THR 37 HG21 THR 37 8.096 9.620 5.550
261 HG22 THR 37 HG22 THR 37 8.326 11.366 5.459
262 HG23 THR 37 HG23 THR 37 9.421 10.286 4.597
263 H PHE 38 H PHE 38 8.442 11.390 0.629
264 HA PHE 38 HA PHE 38 11.218 11.220 1.107
265 HB2 PHE 38 HB2 PHE 38 9.858 10.318 -0.888
266 HB3 PHE 38 HB3 PHE 38 10.018 11.938 -1.559
267 HD1 PHE 38 HD1 PHE 38 12.189 9.341 0.017
268 HD2 PHE 38 HD2 PHE 38 11.735 12.275 -3.033
269 HE1 PHE 38 HE1 PHE 38 14.400 8.743 -0.882
270 HE2 PHE 38 HE2 PHE 38 13.944 11.681 -3.938
271 HZ PHE 38 HZ PHE 38 15.280 9.913 -2.863
272 H LYS 39 H LYS 39 9.186 13.835 -0.164
273 HA LYS 39 HA LYS 39 11.127 15.683 -0.818
274 HB2 LYS 39 HB2 LYS 39 9.448 17.340 -0.707
275 HB3 LYS 39 HB3 LYS 39 8.607 15.855 -1.134
276 HG2 LYS 39 HG2 LYS 39 8.322 15.703 1.496
277 HG3 LYS 39 HG3 LYS 39 8.496 17.454 1.358
278 HD2 LYS 39 HD2 LYS 39 6.718 17.268 -0.497
279 HD3 LYS 39 HD3 LYS 39 6.395 15.668 0.174
280 HE2 LYS 39 HE2 LYS 39 4.868 17.098 1.240
281 HE3 LYS 39 HE3 LYS 39 6.150 16.837 2.421
282 HZ1 LYS 39 HZ1 LYS 39 5.202 19.250 1.619
283 HZ2 LYS 39 HZ2 LYS 39 6.632 19.100 0.727
284 HZ3 LYS 39 HZ3 LYS 39 6.672 18.987 2.415
285 H LYS 40 H LYS 40 9.941 14.754 2.334
286 HA LYS 40 HA LYS 40 11.100 16.935 3.761
287 HB2 LYS 40 HB2 LYS 40 9.836 14.334 4.482
288 HB3 LYS 40 HB3 LYS 40 10.834 15.127 5.693
289 HG2 LYS 40 HG2 LYS 40 8.807 16.013 6.217
290 HG3 LYS 40 HG3 LYS 40 9.361 17.214 5.048
291 HD2 LYS 40 HD2 LYS 40 7.897 16.514 3.431
292 HD3 LYS 40 HD3 LYS 40 7.847 14.858 4.041
293 HE2 LYS 40 HE2 LYS 40 6.670 15.932 6.094
294 HE3 LYS 40 HE3 LYS 40 6.370 17.279 4.997
295 HZ1 LYS 40 HZ1 LYS 40 5.034 14.790 5.165
296 HZ2 LYS 40 HZ2 LYS 40 5.679 14.990 3.614
297 HZ3 LYS 40 HZ3 LYS 40 4.630 16.155 4.250
298 H CYS 41 H CYS 41 12.092 13.591 3.125
299 HA CYS 41 HA CYS 41 14.506 13.759 4.625
300 HB2 CYS 41 HB2 CYS 41 13.568 11.590 4.241
301 HB3 CYS 41 HB3 CYS 41 13.558 11.836 2.498
302 H GLN 42 H GLN 42 13.610 14.502 1.338
303 HA GLN 42 HA GLN 42 16.177 14.547 0.187
304 HB2 GLN 42 HB2 GLN 42 13.536 15.765 -0.494
305 HB3 GLN 42 HB3 GLN 42 14.968 16.322 -1.350
306 HG2 GLN 42 HG2 GLN 42 15.424 13.873 -1.855
307 HG3 GLN 42 HG3 GLN 42 13.778 13.571 -1.303
308 HE21 GLN 42 HE21 GLN 42 15.751 14.594 -3.867
309 HE22 GLN 42 HE22 GLN 42 14.499 15.011 -4.982
310 H ASP 43 H ASP 43 14.423 16.869 2.119
311 HA ASP 43 HA ASP 43 16.104 19.098 1.559
312 HB2 ASP 43 HB2 ASP 43 13.842 19.417 2.415
313 HB3 ASP 43 HB3 ASP 43 14.260 18.564 3.898
314 H LEU 44 H LEU 44 16.020 16.664 4.126
315 HA LEU 44 HA LEU 44 17.992 17.728 5.785
316 HB2 LEU 44 HB2 LEU 44 17.608 14.788 5.298
317 HB3 LEU 44 HB3 LEU 44 18.158 15.584 6.771
318 HG LEU 44 HG LEU 44 15.362 15.575 5.642
319 HD11 LEU 44 HD11 LEU 44 16.200 14.623 8.349
320 HD12 LEU 44 HD12 LEU 44 16.363 13.573 6.942
321 HD13 LEU 44 HD13 LEU 44 14.777 14.193 7.401
322 HD21 LEU 44 HD21 LEU 44 15.079 17.530 6.667
323 HD22 LEU 44 HD22 LEU 44 16.678 17.456 7.407
324 HD23 LEU 44 HD23 LEU 44 15.307 16.669 8.190
325 H LEU 45 H LEU 45 18.335 15.330 3.172
326 HA LEU 45 HA LEU 45 21.159 15.186 3.346
327 HB2 LEU 45 HB2 LEU 45 19.477 14.575 0.927
328 HB3 LEU 45 HB3 LEU 45 21.069 13.929 1.319
329 HG LEU 45 HG LEU 45 18.486 13.311 2.751
330 HD11 LEU 45 HD11 LEU 45 19.294 10.959 1.880
331 HD12 LEU 45 HD12 LEU 45 20.081 11.944 0.648
332 HD13 LEU 45 HD13 LEU 45 18.333 12.035 0.865
333 HD21 LEU 45 HD21 LEU 45 21.277 12.990 3.518
334 HD22 LEU 45 HD22 LEU 45 20.377 11.473 3.534
335 HD23 LEU 45 HD23 LEU 45 19.810 12.845 4.487
336 H HIS 46 H HIS 46 18.974 17.356 1.761
337 HA HIS 46 HA HIS 46 21.086 18.489 0.098
338 HB2 HIS 46 HB2 HIS 46 18.121 18.994 0.302
339 HB3 HIS 46 HB3 HIS 46 19.185 20.026 -0.650
340 HD1 HIS 46 HD1 HIS 46 20.888 17.324 -1.508
341 HD2 HIS 46 HD2 HIS 46 16.871 18.192 -2.119
342 HE1 HIS 46 HE1 HIS 46 20.182 15.904 -3.460
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 4.401 -4.192 2.585
2 HA ALA 1 HA ALA 1 2.372 -3.848 0.489
3 HB1 ALA 1 HB1 ALA 1 2.127 -1.689 1.125
4 HB2 ALA 1 HB2 ALA 1 2.742 -2.322 2.652
5 HB3 ALA 1 HB3 ALA 1 3.832 -1.500 1.536
6 H ASP 2 H ASP 2 2.915 -2.690 -1.442
7 HA ASP 2 HA ASP 2 5.183 -3.589 -2.752
8 HB2 ASP 2 HB2 ASP 2 4.684 -1.855 -4.456
9 HB3 ASP 2 HB3 ASP 2 3.254 -2.762 -3.970
10 H ASN 3 H ASN 3 7.253 -3.135 -2.458
11 HA ASN 3 HA ASN 3 7.992 -0.587 -1.209
12 HB2 ASN 3 HB2 ASN 3 9.154 -3.311 -1.244
13 HB3 ASN 3 HB3 ASN 3 10.309 -1.981 -1.258
14 HD21 ASN 3 HD21 ASN 3 9.253 -0.120 0.307
15 HD22 ASN 3 HD22 ASN 3 9.013 -0.707 1.914
16 H LYS 4 H LYS 4 8.308 0.950 -2.695
17 HA LYS 4 HA LYS 4 9.125 0.503 -5.355
18 HB2 LYS 4 HB2 LYS 4 9.431 3.071 -3.794
19 HB3 LYS 4 HB3 LYS 4 9.306 2.896 -5.539
20 HG2 LYS 4 HG2 LYS 4 7.131 2.254 -3.557
21 HG3 LYS 4 HG3 LYS 4 7.228 3.712 -4.547
22 HD2 LYS 4 HD2 LYS 4 5.889 2.504 -5.918
23 HD3 LYS 4 HD3 LYS 4 7.436 1.859 -6.473
24 HE2 LYS 4 HE2 LYS 4 7.137 -0.146 -5.404
25 HE3 LYS 4 HE3 LYS 4 6.100 0.549 -4.159
26 HZ1 LYS 4 HZ1 LYS 4 4.983 0.684 -6.808
27 HZ2 LYS 4 HZ2 LYS 4 4.278 0.158 -5.363
28 HZ3 LYS 4 HZ3 LYS 4 5.240 -0.899 -6.268
29 H CYS 5 H CYS 5 10.918 1.562 -2.481
30 HA CYS 5 HA CYS 5 13.388 2.015 -3.699
31 HB2 CYS 5 HB2 CYS 5 14.349 1.648 -1.434
32 HB3 CYS 5 HB3 CYS 5 12.969 2.741 -1.431
33 H GLU 6 H GLU 6 11.791 -0.943 -2.831
34 HA GLU 6 HA GLU 6 13.894 -2.724 -2.636
35 HB2 GLU 6 HB2 GLU 6 11.473 -3.247 -2.278
36 HB3 GLU 6 HB3 GLU 6 11.267 -3.270 -4.024
37 HG2 GLU 6 HG2 GLU 6 12.450 -5.226 -4.278
38 HG3 GLU 6 HG3 GLU 6 13.332 -5.013 -2.767
39 H ASN 7 H ASN 7 12.542 -1.195 -5.470
40 HA ASN 7 HA ASN 7 14.232 -2.813 -7.229
41 HB2 ASN 7 HB2 ASN 7 11.710 -2.172 -7.636
42 HB3 ASN 7 HB3 ASN 7 12.404 -0.670 -8.240
43 HD21 ASN 7 HD21 ASN 7 10.944 -2.751 -9.656
44 HD22 ASN 7 HD22 ASN 7 11.990 -3.297 -10.918
45 H SER 8 H SER 8 13.884 0.405 -5.947
46 HA SER 8 HA SER 8 16.000 1.423 -7.692
47 HB2 SER 8 HB2 SER 8 14.004 2.829 -7.396
48 HB3 SER 8 HB3 SER 8 14.284 2.866 -5.656
49 HG SER 8 HG SER 8 15.464 4.317 -7.645
50 H LEU 9 H LEU 9 18.002 1.015 -7.027
51 HA LEU 9 HA LEU 9 18.718 0.406 -4.365
52 HB2 LEU 9 HB2 LEU 9 20.939 0.286 -5.130
53 HB3 LEU 9 HB3 LEU 9 19.932 -0.267 -6.467
54 HG LEU 9 HG LEU 9 20.177 2.285 -7.187
55 HD11 LEU 9 HD11 LEU 9 21.956 2.094 -5.011
56 HD12 LEU 9 HD12 LEU 9 21.742 3.440 -6.129
57 HD13 LEU 9 HD13 LEU 9 22.937 2.191 -6.473
58 HD21 LEU 9 HD21 LEU 9 21.651 1.561 -8.814
59 HD22 LEU 9 HD22 LEU 9 20.900 0.052 -8.295
60 HD23 LEU 9 HD23 LEU 9 22.507 0.485 -7.710
61 H ARG 10 H ARG 10 18.779 3.378 -6.242
62 HA ARG 10 HA ARG 10 20.282 4.902 -4.376
63 HB2 ARG 10 HB2 ARG 10 18.635 5.480 -6.783
64 HB3 ARG 10 HB3 ARG 10 18.932 6.811 -5.673
65 HG2 ARG 10 HG2 ARG 10 21.416 6.058 -5.867
66 HG3 ARG 10 HG3 ARG 10 20.861 5.278 -7.349
67 HD2 ARG 10 HD2 ARG 10 21.621 7.410 -8.002
68 HD3 ARG 10 HD3 ARG 10 19.861 7.518 -7.985
69 HE ARG 10 HE ARG 10 20.019 9.081 -6.328
70 HH11 ARG 10 HH11 ARG 10 23.026 7.337 -6.519
71 HH12 ARG 10 HH12 ARG 10 23.841 8.358 -5.382
72 HH21 ARG 10 HH21 ARG 10 21.082 10.433 -4.828
73 HH22 ARG 10 HH22 ARG 10 22.734 10.118 -4.420
74 H ARG 11 H ARG 11 16.856 4.249 -4.801
75 HA ARG 11 HA ARG 11 15.887 6.209 -3.012
76 HB2 ARG 11 HB2 ARG 11 14.453 5.090 -4.660
77 HB3 ARG 11 HB3 ARG 11 14.660 3.564 -3.811
78 HG2 ARG 11 HG2 ARG 11 12.607 4.265 -3.051
79 HG3 ARG 11 HG3 ARG 11 13.685 4.855 -1.783
80 HD2 ARG 11 HD2 ARG 11 12.305 6.679 -2.216
81 HD3 ARG 11 HD3 ARG 11 13.758 7.031 -3.150
82 HE ARG 11 HE ARG 11 11.832 5.639 -4.711
83 HH11 ARG 11 HH11 ARG 11 12.617 8.771 -3.409
84 HH12 ARG 11 HH12 ARG 11 11.777 9.641 -4.648
85 HH21 ARG 11 HH21 ARG 11 10.722 6.774 -6.348
86 HH22 ARG 11 HH22 ARG 11 10.698 8.505 -6.320
87 H GLU 12 H GLU 12 16.894 2.853 -2.580
88 HA GLU 12 HA GLU 12 16.061 2.620 0.118
89 HB2 GLU 12 HB2 GLU 12 16.450 0.616 -1.121
90 HB3 GLU 12 HB3 GLU 12 18.090 1.106 -1.522
91 HG2 GLU 12 HG2 GLU 12 18.904 0.594 0.565
92 HG3 GLU 12 HG3 GLU 12 17.327 0.755 1.336
93 H ILE 13 H ILE 13 19.265 3.218 -1.320
94 HA ILE 13 HA ILE 13 20.687 3.512 1.060
95 HB ILE 13 HB ILE 13 21.196 4.904 -1.573
96 HG12 ILE 13 HG12 ILE 13 22.534 2.406 -0.550
97 HG13 ILE 13 HG13 ILE 13 21.055 2.336 -1.502
98 HG21 ILE 13 HG21 ILE 13 23.604 4.788 -0.653
99 HG22 ILE 13 HG22 ILE 13 22.524 6.041 -0.045
100 HG23 ILE 13 HG23 ILE 13 22.827 4.595 0.918
101 HD11 ILE 13 HD11 ILE 13 23.679 3.523 -2.372
102 HD12 ILE 13 HD12 ILE 13 22.984 1.993 -2.909
103 HD13 ILE 13 HD13 ILE 13 22.195 3.515 -3.324
104 H ALA 14 H ALA 14 18.721 5.806 -0.729
105 HA ALA 14 HA ALA 14 19.534 8.119 0.710
106 HB1 ALA 14 HB1 ALA 14 17.268 8.989 -0.211
107 HB2 ALA 14 HB2 ALA 14 18.580 8.624 -1.332
108 HB3 ALA 14 HB3 ALA 14 17.259 7.476 -1.117
109 H CYS 15 H CYS 15 16.877 5.816 1.074
110 HA CYS 15 HA CYS 15 15.619 7.222 3.215
111 HB2 CYS 15 HB2 CYS 15 15.281 4.595 1.874
112 HB3 CYS 15 HB3 CYS 15 14.666 4.727 3.518
113 H GLY 16 H GLY 16 17.924 4.552 3.008
114 HA2 GLY 16 HA2 GLY 16 17.948 3.714 5.651
115 HA3 GLY 16 HA3 GLY 16 19.340 3.661 4.580
116 H GLN 17 H GLN 17 19.740 6.394 4.176
117 HA GLN 17 HA GLN 17 21.221 7.055 6.492
118 HB2 GLN 17 HB2 GLN 17 20.473 8.677 4.059
119 HB3 GLN 17 HB3 GLN 17 21.547 9.265 5.321
120 HG2 GLN 17 HG2 GLN 17 22.853 7.058 4.829
121 HG3 GLN 17 HG3 GLN 17 21.995 7.135 3.291
122 HE21 GLN 17 HE21 GLN 17 24.439 7.246 2.783
123 HE22 GLN 17 HE22 GLN 17 25.074 8.839 2.574
124 H CYS 18 H CYS 18 18.364 8.630 5.048
125 HA CYS 18 HA CYS 18 17.928 10.494 7.070
126 HB2 CYS 18 HB2 CYS 18 16.250 9.262 4.942
127 HB3 CYS 18 HB3 CYS 18 15.419 10.131 6.229
128 H ARG 19 H ARG 19 17.077 7.111 6.876
129 HA ARG 19 HA ARG 19 15.138 6.946 8.860
130 HB2 ARG 19 HB2 ARG 19 15.676 5.060 7.425
131 HB3 ARG 19 HB3 ARG 19 17.286 4.953 8.123
132 HG2 ARG 19 HG2 ARG 19 16.173 4.496 10.335
133 HG3 ARG 19 HG3 ARG 19 14.659 4.337 9.442
134 HD2 ARG 19 HD2 ARG 19 16.270 2.725 7.987
135 HD3 ARG 19 HD3 ARG 19 16.978 2.527 9.590
136 HE ARG 19 HE ARG 19 14.508 1.460 8.678
137 HH11 ARG 19 HH11 ARG 19 16.096 2.769 11.486
138 HH12 ARG 19 HH12 ARG 19 15.104 1.903 12.612
139 HH21 ARG 19 HH21 ARG 19 13.195 0.315 10.151
140 HH22 ARG 19 HH22 ARG 19 13.455 0.507 11.852
141 H ASP 20 H ASP 20 18.643 7.092 9.121
142 HA ASP 20 HA ASP 20 18.622 6.655 11.975
143 HB2 ASP 20 HB2 ASP 20 20.713 7.144 9.901
144 HB3 ASP 20 HB3 ASP 20 21.110 7.487 11.583
145 H LYS 21 H LYS 21 19.069 9.385 9.771
146 HA LYS 21 HA LYS 21 19.706 11.320 11.708
147 HB2 LYS 21 HB2 LYS 21 18.667 11.387 8.911
148 HB3 LYS 21 HB3 LYS 21 18.590 12.864 9.863
149 HG2 LYS 21 HG2 LYS 21 21.118 11.284 9.475
150 HG3 LYS 21 HG3 LYS 21 20.622 12.606 8.416
151 HD2 LYS 21 HD2 LYS 21 20.862 12.946 11.394
152 HD3 LYS 21 HD3 LYS 21 22.238 13.170 10.310
153 HE2 LYS 21 HE2 LYS 21 20.981 14.880 9.083
154 HE3 LYS 21 HE3 LYS 21 19.616 14.658 10.177
155 HZ1 LYS 21 HZ1 LYS 21 21.317 15.218 11.993
156 HZ2 LYS 21 HZ2 LYS 21 20.713 16.482 11.045
157 HZ3 LYS 21 HZ3 LYS 21 22.253 15.854 10.735
158 H VAL 22 H VAL 22 16.586 10.822 10.042
159 HA VAL 22 HA VAL 22 15.064 12.558 11.572
160 HB VAL 22 HB VAL 22 14.101 9.949 10.394
161 HG11 VAL 22 HG11 VAL 22 12.058 11.683 10.118
162 HG12 VAL 22 HG12 VAL 22 12.243 10.599 11.498
163 HG13 VAL 22 HG13 VAL 22 12.772 12.278 11.616
164 HG21 VAL 22 HG21 VAL 22 13.418 12.044 8.694
165 HG22 VAL 22 HG22 VAL 22 15.098 12.352 9.136
166 HG23 VAL 22 HG23 VAL 22 14.645 10.808 8.412
167 H LYS 23 H LYS 23 16.245 9.389 12.343
168 HA LYS 23 HA LYS 23 16.131 8.102 14.214
169 HB2 LYS 23 HB2 LYS 23 15.609 10.849 15.299
170 HB3 LYS 23 HB3 LYS 23 15.511 9.452 16.363
171 HG2 LYS 23 HG2 LYS 23 17.925 10.080 14.685
172 HG3 LYS 23 HG3 LYS 23 17.713 10.647 16.343
173 HD2 LYS 23 HD2 LYS 23 17.787 8.473 17.215
174 HD3 LYS 23 HD3 LYS 23 17.484 7.737 15.639
175 HE2 LYS 23 HE2 LYS 23 19.837 7.523 16.435
176 HE3 LYS 23 HE3 LYS 23 19.672 8.320 14.871
177 HZ1 LYS 23 HZ1 LYS 23 21.182 9.304 16.765
178 HZ2 LYS 23 HZ2 LYS 23 19.725 10.002 17.264
179 HZ3 LYS 23 HZ3 LYS 23 20.323 10.313 15.713
180 H THR 24 H THR 24 13.997 7.724 12.663
181 HA THR 24 HA THR 24 11.813 7.406 14.605
182 HB THR 24 HB THR 24 11.469 8.303 11.737
183 HG1 THR 24 HG1 THR 24 10.920 9.606 14.215
184 HG21 THR 24 HG21 THR 24 9.565 7.072 11.997
185 HG22 THR 24 HG22 THR 24 9.028 8.561 12.775
186 HG23 THR 24 HG23 THR 24 9.587 7.207 13.755
187 H ASP 25 H ASP 25 11.465 5.308 14.859
188 HA ASP 25 HA ASP 25 12.435 3.309 13.131
189 HB2 ASP 25 HB2 ASP 25 10.268 3.103 15.234
190 HB3 ASP 25 HB3 ASP 25 11.131 1.748 14.510
191 H GLY 26 H GLY 26 11.673 2.591 11.258
192 HA2 GLY 26 HA2 GLY 26 9.930 1.675 9.909
193 HA3 GLY 26 HA3 GLY 26 8.777 2.685 10.770
194 H TYR 27 H TYR 27 10.984 4.870 10.393
195 HA TYR 27 HA TYR 27 9.746 6.311 8.388
196 HB2 TYR 27 HB2 TYR 27 11.390 7.189 10.077
197 HB3 TYR 27 HB3 TYR 27 12.680 6.513 9.088
198 HD1 TYR 27 HD1 TYR 27 9.963 9.022 9.148
199 HD2 TYR 27 HD2 TYR 27 13.455 7.639 7.149
200 HE1 TYR 27 HE1 TYR 27 10.000 11.079 7.801
201 HE2 TYR 27 HE2 TYR 27 13.503 9.693 5.798
202 HH TYR 27 HH TYR 27 11.366 11.494 5.112
203 H PHE 28 H PHE 28 12.611 4.228 8.147
204 HA PHE 28 HA PHE 28 13.267 4.670 5.494
205 HB2 PHE 28 HB2 PHE 28 14.738 3.382 6.881
206 HB3 PHE 28 HB3 PHE 28 13.497 2.167 7.168
207 HD1 PHE 28 HD1 PHE 28 12.922 0.545 5.448
208 HD2 PHE 28 HD2 PHE 28 16.009 3.412 4.845
209 HE1 PHE 28 HE1 PHE 28 13.753 -0.758 3.533
210 HE2 PHE 28 HE2 PHE 28 16.844 2.115 2.929
211 HZ PHE 28 HZ PHE 28 15.716 0.027 2.270
212 H TYR 29 H TYR 29 10.963 2.339 6.849
213 HA TYR 29 HA TYR 29 10.219 1.289 4.292
214 HB2 TYR 29 HB2 TYR 29 10.053 0.034 6.466
215 HB3 TYR 29 HB3 TYR 29 8.693 1.067 6.892
216 HD1 TYR 29 HD1 TYR 29 9.852 -1.594 4.630
217 HD2 TYR 29 HD2 TYR 29 6.532 0.747 5.896
218 HE1 TYR 29 HE1 TYR 29 8.331 -3.121 3.445
219 HE2 TYR 29 HE2 TYR 29 5.002 -0.774 4.716
220 HH TYR 29 HH TYR 29 6.230 -3.580 2.913
221 H GLU 30 H GLU 30 9.228 3.963 6.236
222 HA GLU 30 HA GLU 30 6.639 4.301 5.072
223 HB2 GLU 30 HB2 GLU 30 7.276 5.194 7.306
224 HB3 GLU 30 HB3 GLU 30 8.348 6.338 6.510
225 HG2 GLU 30 HG2 GLU 30 6.431 7.570 6.951
226 HG3 GLU 30 HG3 GLU 30 6.273 7.132 5.251
227 H CYS 31 H CYS 31 9.716 6.061 4.696
228 HA CYS 31 HA CYS 31 8.841 7.727 2.605
229 HB2 CYS 31 HB2 CYS 31 11.267 8.098 2.182
230 HB3 CYS 31 HB3 CYS 31 10.820 8.291 3.874
231 H CYS 32 H CYS 32 10.002 4.454 2.653
232 HA CYS 32 HA CYS 32 10.779 4.191 -0.034
233 HB2 CYS 32 HB2 CYS 32 10.009 2.336 2.154
234 HB3 CYS 32 HB3 CYS 32 9.933 1.701 0.514
235 H THR 33 H THR 33 7.672 4.393 1.449
236 HA THR 33 HA THR 33 6.419 3.935 -1.175
237 HB THR 33 HB THR 33 4.533 2.832 -0.177
238 HG1 THR 33 HG1 THR 33 5.851 3.283 2.313
239 HG21 THR 33 HG21 THR 33 6.848 1.501 1.182
240 HG22 THR 33 HG22 THR 33 6.776 1.584 -0.578
241 HG23 THR 33 HG23 THR 33 5.492 0.775 0.320
242 H SER 34 H SER 34 7.243 6.332 0.517
243 HA SER 34 HA SER 34 4.665 7.727 0.310
244 HB2 SER 34 HB2 SER 34 6.632 7.931 2.600
245 HB3 SER 34 HB3 SER 34 5.288 9.045 2.351
246 HG SER 34 HG SER 34 3.912 7.551 2.980
247 H ASP 35 H ASP 35 5.022 8.978 -1.423
248 HA ASP 35 HA ASP 35 7.530 10.063 -2.146
249 HB2 ASP 35 HB2 ASP 35 6.318 11.302 -3.839
250 HB3 ASP 35 HB3 ASP 35 5.663 9.670 -3.739
251 H SER 36 H SER 36 4.870 11.258 -0.209
252 HA SER 36 HA SER 36 5.697 13.970 -0.118
253 HB2 SER 36 HB2 SER 36 4.074 12.511 1.974
254 HB3 SER 36 HB3 SER 36 4.076 14.241 1.634
255 HG SER 36 HG SER 36 2.317 12.835 0.719
256 H THR 37 H THR 37 6.050 11.304 2.217
257 HA THR 37 HA THR 37 7.502 12.655 4.158
258 HB THR 37 HB THR 37 7.830 9.750 3.380
259 HG1 THR 37 HG1 THR 37 5.982 11.079 5.088
260 HG21 THR 37 HG21 THR 37 8.930 11.405 5.523
261 HG22 THR 37 HG22 THR 37 9.434 9.815 4.948
262 HG23 THR 37 HG23 THR 37 8.110 9.957 6.105
263 H PHE 38 H PHE 38 8.503 11.483 1.053
264 HA PHE 38 HA PHE 38 11.300 11.422 1.548
265 HB2 PHE 38 HB2 PHE 38 9.907 10.396 -0.414
266 HB3 PHE 38 HB3 PHE 38 10.150 11.968 -1.168
267 HD1 PHE 38 HD1 PHE 38 11.953 9.086 0.310
268 HD2 PHE 38 HD2 PHE 38 12.144 12.466 -2.270
269 HE1 PHE 38 HE1 PHE 38 14.171 8.361 -0.470
270 HE2 PHE 38 HE2 PHE 38 14.362 11.746 -3.055
271 HZ PHE 38 HZ PHE 38 15.378 9.691 -2.156
272 H LYS 39 H LYS 39 9.044 13.918 0.604
273 HA LYS 39 HA LYS 39 10.721 15.847 -0.438
274 HB2 LYS 39 HB2 LYS 39 8.347 16.256 1.390
275 HB3 LYS 39 HB3 LYS 39 9.081 17.503 0.389
276 HG2 LYS 39 HG2 LYS 39 8.584 15.820 -1.549
277 HG3 LYS 39 HG3 LYS 39 7.404 15.174 -0.406
278 HD2 LYS 39 HD2 LYS 39 6.202 16.757 -1.641
279 HD3 LYS 39 HD3 LYS 39 6.615 17.599 -0.146
280 HE2 LYS 39 HE2 LYS 39 7.151 19.176 -1.743
281 HE3 LYS 39 HE3 LYS 39 8.704 18.384 -1.482
282 HZ1 LYS 39 HZ1 LYS 39 7.204 17.062 -3.501
283 HZ2 LYS 39 HZ2 LYS 39 8.755 17.730 -3.586
284 HZ3 LYS 39 HZ3 LYS 39 7.400 18.699 -3.880
285 H LYS 40 H LYS 40 9.815 15.436 2.986
286 HA LYS 40 HA LYS 40 11.466 17.453 4.006
287 HB2 LYS 40 HB2 LYS 40 10.182 15.011 5.162
288 HB3 LYS 40 HB3 LYS 40 11.357 15.895 6.127
289 HG2 LYS 40 HG2 LYS 40 9.395 16.873 6.792
290 HG3 LYS 40 HG3 LYS 40 9.899 17.963 5.498
291 HD2 LYS 40 HD2 LYS 40 8.464 16.571 3.947
292 HD3 LYS 40 HD3 LYS 40 7.816 15.789 5.391
293 HE2 LYS 40 HE2 LYS 40 7.824 18.773 5.160
294 HE3 LYS 40 HE3 LYS 40 6.571 17.825 4.361
295 HZ1 LYS 40 HZ1 LYS 40 6.534 16.757 6.800
296 HZ2 LYS 40 HZ2 LYS 40 5.549 18.050 6.332
297 HZ3 LYS 40 HZ3 LYS 40 6.981 18.343 7.184
298 H CYS 41 H CYS 41 12.056 13.954 3.724
299 HA CYS 41 HA CYS 41 14.601 13.876 4.828
300 HB2 CYS 41 HB2 CYS 41 13.442 11.829 4.352
301 HB3 CYS 41 HB3 CYS 41 13.369 12.204 2.634
302 H GLN 42 H GLN 42 13.607 14.602 1.515
303 HA GLN 42 HA GLN 42 16.108 14.653 0.298
304 HB2 GLN 42 HB2 GLN 42 13.524 16.072 -0.243
305 HB3 GLN 42 HB3 GLN 42 14.954 16.463 -1.189
306 HG2 GLN 42 HG2 GLN 42 15.146 14.078 -1.808
307 HG3 GLN 42 HG3 GLN 42 13.638 13.769 -0.948
308 HE21 GLN 42 HE21 GLN 42 14.536 13.658 -3.849
309 HE22 GLN 42 HE22 GLN 42 13.298 14.515 -4.697
310 H ASP 43 H ASP 43 14.513 17.037 2.307
311 HA ASP 43 HA ASP 43 16.305 19.177 1.740
312 HB2 ASP 43 HB2 ASP 43 14.069 19.598 2.635
313 HB3 ASP 43 HB3 ASP 43 14.480 18.729 4.111
314 H LEU 44 H LEU 44 16.157 16.682 4.233
315 HA LEU 44 HA LEU 44 18.192 17.631 5.896
316 HB2 LEU 44 HB2 LEU 44 17.558 14.741 5.336
317 HB3 LEU 44 HB3 LEU 44 18.325 15.402 6.778
318 HG LEU 44 HG LEU 44 15.462 15.865 5.942
319 HD11 LEU 44 HD11 LEU 44 15.467 13.678 6.675
320 HD12 LEU 44 HD12 LEU 44 15.148 14.561 8.167
321 HD13 LEU 44 HD13 LEU 44 16.770 13.955 7.831
322 HD21 LEU 44 HD21 LEU 44 15.548 17.616 7.307
323 HD22 LEU 44 HD22 LEU 44 17.197 17.229 7.798
324 HD23 LEU 44 HD23 LEU 44 15.831 16.489 8.634
325 H LEU 45 H LEU 45 18.379 15.268 3.237
326 HA LEU 45 HA LEU 45 21.195 14.981 3.364
327 HB2 LEU 45 HB2 LEU 45 19.469 14.510 0.946
328 HB3 LEU 45 HB3 LEU 45 21.016 13.758 1.331
329 HG LEU 45 HG LEU 45 18.366 13.265 2.684
330 HD11 LEU 45 HD11 LEU 45 19.222 10.868 1.887
331 HD12 LEU 45 HD12 LEU 45 19.988 11.861 0.647
332 HD13 LEU 45 HD13 LEU 45 18.239 11.920 0.867
333 HD21 LEU 45 HD21 LEU 45 19.642 11.543 3.967
334 HD22 LEU 45 HD22 LEU 45 20.039 13.210 4.387
335 HD23 LEU 45 HD23 LEU 45 21.129 12.274 3.363
336 H HIS 46 H HIS 46 19.094 17.274 1.827
337 HA HIS 46 HA HIS 46 21.219 18.330 0.143
338 HB2 HIS 46 HB2 HIS 46 18.294 18.953 0.460
339 HB3 HIS 46 HB3 HIS 46 19.362 20.037 -0.427
340 HD1 HIS 46 HD1 HIS 46 21.012 17.479 -1.616
341 HD2 HIS 46 HD2 HIS 46 16.946 18.280 -1.917
342 HE1 HIS 46 HE1 HIS 46 20.225 16.215 -3.643
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 -0.198 -0.970 0.347
2 HA ALA 1 HA ALA 1 0.747 -0.501 -2.060
3 HB1 ALA 1 HB1 ALA 1 1.562 1.290 -1.039
4 HB2 ALA 1 HB2 ALA 1 1.428 0.475 0.520
5 HB3 ALA 1 HB3 ALA 1 2.909 0.330 -0.427
6 H ASP 2 H ASP 2 3.286 -0.308 -2.613
7 HA ASP 2 HA ASP 2 4.435 -3.003 -2.308
8 HB2 ASP 2 HB2 ASP 2 5.362 -2.602 -4.676
9 HB3 ASP 2 HB3 ASP 2 3.657 -3.019 -4.525
10 H ASN 3 H ASN 3 6.699 -3.147 -2.272
11 HA ASN 3 HA ASN 3 8.001 -0.842 -1.158
12 HB2 ASN 3 HB2 ASN 3 8.357 -3.292 -0.483
13 HB3 ASN 3 HB3 ASN 3 9.354 -3.424 -1.929
14 HD21 ASN 3 HD21 ASN 3 10.801 -4.012 0.010
15 HD22 ASN 3 HD22 ASN 3 11.764 -2.718 0.630
16 H LYS 4 H LYS 4 8.607 0.753 -2.474
17 HA LYS 4 HA LYS 4 9.371 0.293 -5.206
18 HB2 LYS 4 HB2 LYS 4 9.524 2.806 -3.530
19 HB3 LYS 4 HB3 LYS 4 9.748 2.726 -5.273
20 HG2 LYS 4 HG2 LYS 4 7.213 1.867 -3.907
21 HG3 LYS 4 HG3 LYS 4 7.494 3.510 -4.487
22 HD2 LYS 4 HD2 LYS 4 7.940 1.236 -6.360
23 HD3 LYS 4 HD3 LYS 4 6.282 1.717 -5.992
24 HE2 LYS 4 HE2 LYS 4 6.677 3.936 -6.780
25 HE3 LYS 4 HE3 LYS 4 8.409 3.638 -6.922
26 HZ1 LYS 4 HZ1 LYS 4 6.355 3.143 -8.808
27 HZ2 LYS 4 HZ2 LYS 4 7.172 1.705 -8.455
28 HZ3 LYS 4 HZ3 LYS 4 8.032 3.051 -9.010
29 H CYS 5 H CYS 5 11.013 0.876 -2.167
30 HA CYS 5 HA CYS 5 13.551 1.547 -3.110
31 HB2 CYS 5 HB2 CYS 5 12.630 0.131 -0.615
32 HB3 CYS 5 HB3 CYS 5 14.331 0.475 -0.912
33 H GLU 6 H GLU 6 11.897 -1.498 -3.044
34 HA GLU 6 HA GLU 6 14.134 -3.210 -3.242
35 HB2 GLU 6 HB2 GLU 6 12.021 -4.146 -2.628
36 HB3 GLU 6 HB3 GLU 6 11.258 -3.539 -4.091
37 HG2 GLU 6 HG2 GLU 6 11.619 -5.905 -4.287
38 HG3 GLU 6 HG3 GLU 6 12.659 -5.053 -5.427
39 H ASN 7 H ASN 7 12.379 -1.307 -5.576
40 HA ASN 7 HA ASN 7 13.764 -2.573 -7.811
41 HB2 ASN 7 HB2 ASN 7 11.717 -0.343 -7.809
42 HB3 ASN 7 HB3 ASN 7 12.334 -1.178 -9.231
43 HD21 ASN 7 HD21 ASN 7 9.880 -1.051 -7.018
44 HD22 ASN 7 HD22 ASN 7 9.204 -2.622 -7.263
45 H SER 8 H SER 8 13.827 0.318 -5.887
46 HA SER 8 HA SER 8 15.927 1.428 -7.631
47 HB2 SER 8 HB2 SER 8 13.903 2.754 -5.841
48 HB3 SER 8 HB3 SER 8 15.375 3.595 -6.329
49 HG SER 8 HG SER 8 13.694 4.036 -7.779
50 H LEU 9 H LEU 9 17.873 0.936 -6.866
51 HA LEU 9 HA LEU 9 18.403 0.246 -4.172
52 HB2 LEU 9 HB2 LEU 9 20.663 0.040 -4.813
53 HB3 LEU 9 HB3 LEU 9 19.701 -0.482 -6.195
54 HG LEU 9 HG LEU 9 20.084 2.050 -6.920
55 HD11 LEU 9 HD11 LEU 9 21.877 3.107 -6.058
56 HD12 LEU 9 HD12 LEU 9 22.773 1.610 -5.799
57 HD13 LEU 9 HD13 LEU 9 21.527 2.102 -4.651
58 HD21 LEU 9 HD21 LEU 9 20.871 -0.328 -7.845
59 HD22 LEU 9 HD22 LEU 9 22.442 0.320 -7.372
60 HD23 LEU 9 HD23 LEU 9 21.437 1.198 -8.526
61 H ARG 10 H ARG 10 18.732 3.226 -6.013
62 HA ARG 10 HA ARG 10 20.215 4.665 -4.081
63 HB2 ARG 10 HB2 ARG 10 18.639 5.345 -6.509
64 HB3 ARG 10 HB3 ARG 10 18.967 6.645 -5.371
65 HG2 ARG 10 HG2 ARG 10 21.379 6.132 -5.539
66 HG3 ARG 10 HG3 ARG 10 21.002 4.919 -6.763
67 HD2 ARG 10 HD2 ARG 10 20.022 6.653 -8.181
68 HD3 ARG 10 HD3 ARG 10 20.386 7.865 -6.954
69 HE ARG 10 HE ARG 10 22.739 6.488 -7.697
70 HH11 ARG 10 HH11 ARG 10 20.482 8.869 -8.862
71 HH12 ARG 10 HH12 ARG 10 21.643 9.665 -9.871
72 HH21 ARG 10 HH21 ARG 10 24.277 7.528 -9.022
73 HH22 ARG 10 HH22 ARG 10 23.801 8.902 -9.962
74 H ARG 11 H ARG 11 16.823 3.975 -4.463
75 HA ARG 11 HA ARG 11 15.830 6.003 -2.746
76 HB2 ARG 11 HB2 ARG 11 14.548 4.566 -4.455
77 HB3 ARG 11 HB3 ARG 11 14.493 3.345 -3.191
78 HG2 ARG 11 HG2 ARG 11 12.454 4.526 -3.084
79 HG3 ARG 11 HG3 ARG 11 13.422 5.075 -1.715
80 HD2 ARG 11 HD2 ARG 11 13.856 7.139 -2.688
81 HD3 ARG 11 HD3 ARG 11 13.489 6.559 -4.312
82 HE ARG 11 HE ARG 11 11.207 6.479 -2.600
83 HH11 ARG 11 HH11 ARG 11 13.166 8.578 -4.570
84 HH12 ARG 11 HH12 ARG 11 11.887 9.708 -4.867
85 HH21 ARG 11 HH21 ARG 11 9.515 7.959 -2.985
86 HH22 ARG 11 HH22 ARG 11 9.811 9.355 -3.965
87 H GLU 12 H GLU 12 17.010 2.738 -2.225
88 HA GLU 12 HA GLU 12 16.128 2.534 0.478
89 HB2 GLU 12 HB2 GLU 12 16.548 0.506 -0.709
90 HB3 GLU 12 HB3 GLU 12 18.179 1.012 -1.126
91 HG2 GLU 12 HG2 GLU 12 19.025 0.459 0.903
92 HG3 GLU 12 HG3 GLU 12 17.521 0.812 1.751
93 H ILE 13 H ILE 13 19.319 3.146 -0.983
94 HA ILE 13 HA ILE 13 20.736 3.532 1.389
95 HB ILE 13 HB ILE 13 21.231 4.841 -1.287
96 HG12 ILE 13 HG12 ILE 13 22.532 2.365 -0.151
97 HG13 ILE 13 HG13 ILE 13 21.125 2.303 -1.207
98 HG21 ILE 13 HG21 ILE 13 22.495 6.031 0.304
99 HG22 ILE 13 HG22 ILE 13 22.930 4.561 1.174
100 HG23 ILE 13 HG23 ILE 13 23.615 4.877 -0.419
101 HD11 ILE 13 HD11 ILE 13 23.176 1.918 -2.443
102 HD12 ILE 13 HD12 ILE 13 22.399 3.412 -2.965
103 HD13 ILE 13 HD13 ILE 13 23.807 3.474 -1.906
104 H ALA 14 H ALA 14 18.733 5.733 -0.470
105 HA ALA 14 HA ALA 14 19.518 8.108 0.883
106 HB1 ALA 14 HB1 ALA 14 17.266 8.939 -0.064
107 HB2 ALA 14 HB2 ALA 14 18.545 8.487 -1.192
108 HB3 ALA 14 HB3 ALA 14 17.211 7.376 -0.881
109 H CYS 15 H CYS 15 16.925 5.758 1.359
110 HA CYS 15 HA CYS 15 15.655 7.228 3.458
111 HB2 CYS 15 HB2 CYS 15 15.333 4.549 2.209
112 HB3 CYS 15 HB3 CYS 15 14.708 4.750 3.842
113 H GLY 16 H GLY 16 17.967 4.558 3.310
114 HA2 GLY 16 HA2 GLY 16 18.022 3.792 5.969
115 HA3 GLY 16 HA3 GLY 16 19.410 3.732 4.894
116 H GLN 17 H GLN 17 19.745 6.476 4.427
117 HA GLN 17 HA GLN 17 21.233 7.206 6.724
118 HB2 GLN 17 HB2 GLN 17 20.469 8.732 4.236
119 HB3 GLN 17 HB3 GLN 17 21.501 9.404 5.492
120 HG2 GLN 17 HG2 GLN 17 22.956 7.325 5.132
121 HG3 GLN 17 HG3 GLN 17 22.048 7.122 3.635
122 HE21 GLN 17 HE21 GLN 17 24.804 7.541 3.727
123 HE22 GLN 17 HE22 GLN 17 25.153 9.072 3.008
124 H CYS 18 H CYS 18 18.345 8.692 5.249
125 HA CYS 18 HA CYS 18 17.888 10.608 7.217
126 HB2 CYS 18 HB2 CYS 18 16.244 9.301 5.116
127 HB3 CYS 18 HB3 CYS 18 15.374 10.140 6.397
128 H ARG 19 H ARG 19 17.095 7.206 7.129
129 HA ARG 19 HA ARG 19 15.171 7.068 9.131
130 HB2 ARG 19 HB2 ARG 19 15.668 5.134 7.795
131 HB3 ARG 19 HB3 ARG 19 17.333 5.108 8.360
132 HG2 ARG 19 HG2 ARG 19 16.532 4.594 10.629
133 HG3 ARG 19 HG3 ARG 19 14.879 4.556 10.014
134 HD2 ARG 19 HD2 ARG 19 15.143 2.530 9.068
135 HD3 ARG 19 HD3 ARG 19 16.787 2.883 8.537
136 HE ARG 19 HE ARG 19 16.034 1.456 10.865
137 HH11 ARG 19 HH11 ARG 19 18.381 3.735 9.676
138 HH12 ARG 19 HH12 ARG 19 19.612 3.250 10.794
139 HH21 ARG 19 HH21 ARG 19 17.646 0.808 12.343
140 HH22 ARG 19 HH22 ARG 19 19.193 1.584 12.310
141 H ASP 20 H ASP 20 18.675 7.280 9.362
142 HA ASP 20 HA ASP 20 18.698 6.907 12.220
143 HB2 ASP 20 HB2 ASP 20 20.577 6.349 10.512
144 HB3 ASP 20 HB3 ASP 20 20.982 8.058 10.646
145 H LYS 21 H LYS 21 18.938 9.613 9.969
146 HA LYS 21 HA LYS 21 19.537 11.601 11.884
147 HB2 LYS 21 HB2 LYS 21 18.128 11.887 9.223
148 HB3 LYS 21 HB3 LYS 21 18.838 13.200 10.153
149 HG2 LYS 21 HG2 LYS 21 20.592 10.924 9.424
150 HG3 LYS 21 HG3 LYS 21 20.111 12.042 8.146
151 HD2 LYS 21 HD2 LYS 21 21.948 13.163 8.856
152 HD3 LYS 21 HD3 LYS 21 20.808 13.809 10.039
153 HE2 LYS 21 HE2 LYS 21 22.836 13.093 11.150
154 HE3 LYS 21 HE3 LYS 21 21.492 12.053 11.622
155 HZ1 LYS 21 HZ1 LYS 21 23.106 11.196 9.347
156 HZ2 LYS 21 HZ2 LYS 21 22.373 10.275 10.561
157 HZ3 LYS 21 HZ3 LYS 21 23.821 11.090 10.876
158 H VAL 22 H VAL 22 16.448 11.019 10.188
159 HA VAL 22 HA VAL 22 14.858 12.696 11.702
160 HB VAL 22 HB VAL 22 13.978 10.045 10.552
161 HG11 VAL 22 HG11 VAL 22 12.095 10.680 11.624
162 HG12 VAL 22 HG12 VAL 22 12.583 12.375 11.704
163 HG13 VAL 22 HG13 VAL 22 11.900 11.721 10.214
164 HG21 VAL 22 HG21 VAL 22 13.315 12.211 8.856
165 HG22 VAL 22 HG22 VAL 22 15.033 12.340 9.234
166 HG23 VAL 22 HG23 VAL 22 14.395 10.856 8.527
167 H LYS 23 H LYS 23 16.105 9.546 12.486
168 HA LYS 23 HA LYS 23 16.012 8.263 14.362
169 HB2 LYS 23 HB2 LYS 23 15.442 11.002 15.453
170 HB3 LYS 23 HB3 LYS 23 15.410 9.598 16.512
171 HG2 LYS 23 HG2 LYS 23 17.766 10.341 14.795
172 HG3 LYS 23 HG3 LYS 23 17.571 10.843 16.476
173 HD2 LYS 23 HD2 LYS 23 17.536 8.529 17.196
174 HD3 LYS 23 HD3 LYS 23 17.616 7.980 15.520
175 HE2 LYS 23 HE2 LYS 23 19.807 7.818 16.486
176 HE3 LYS 23 HE3 LYS 23 19.807 9.130 15.308
177 HZ1 LYS 23 HZ1 LYS 23 20.209 9.220 18.164
178 HZ2 LYS 23 HZ2 LYS 23 19.160 10.411 17.580
179 HZ3 LYS 23 HZ3 LYS 23 20.731 10.291 16.963
180 H THR 24 H THR 24 13.881 7.842 12.829
181 HA THR 24 HA THR 24 11.706 7.518 14.778
182 HB THR 24 HB THR 24 11.342 8.378 11.901
183 HG1 THR 24 HG1 THR 24 10.374 9.804 14.121
184 HG21 THR 24 HG21 THR 24 9.345 7.385 12.053
185 HG22 THR 24 HG22 THR 24 8.925 8.608 13.252
186 HG23 THR 24 HG23 THR 24 9.566 7.049 13.769
187 H ASP 25 H ASP 25 11.384 5.419 15.055
188 HA ASP 25 HA ASP 25 12.377 3.412 13.352
189 HB2 ASP 25 HB2 ASP 25 10.305 3.323 15.550
190 HB3 ASP 25 HB3 ASP 25 10.899 1.886 14.722
191 H GLY 26 H GLY 26 11.623 2.630 11.500
192 HA2 GLY 26 HA2 GLY 26 9.896 1.691 10.152
193 HA3 GLY 26 HA3 GLY 26 8.732 2.706 10.990
194 H TYR 27 H TYR 27 10.891 4.918 10.604
195 HA TYR 27 HA TYR 27 9.659 6.294 8.549
196 HB2 TYR 27 HB2 TYR 27 11.233 7.255 10.250
197 HB3 TYR 27 HB3 TYR 27 12.568 6.577 9.325
198 HD1 TYR 27 HD1 TYR 27 9.812 9.040 9.233
199 HD2 TYR 27 HD2 TYR 27 13.378 7.655 7.370
200 HE1 TYR 27 HE1 TYR 27 9.857 11.060 7.831
201 HE2 TYR 27 HE2 TYR 27 13.433 9.673 5.964
202 HH TYR 27 HH TYR 27 10.777 11.905 5.848
203 H PHE 28 H PHE 28 12.587 4.290 8.406
204 HA PHE 28 HA PHE 28 13.295 4.699 5.766
205 HB2 PHE 28 HB2 PHE 28 14.753 3.457 7.207
206 HB3 PHE 28 HB3 PHE 28 13.528 2.223 7.479
207 HD1 PHE 28 HD1 PHE 28 13.026 0.568 5.767
208 HD2 PHE 28 HD2 PHE 28 16.076 3.484 5.205
209 HE1 PHE 28 HE1 PHE 28 13.931 -0.744 3.892
210 HE2 PHE 28 HE2 PHE 28 16.984 2.177 3.329
211 HZ PHE 28 HZ PHE 28 15.911 0.060 2.670
212 H TYR 29 H TYR 29 11.010 2.331 7.092
213 HA TYR 29 HA TYR 29 10.347 1.244 4.528
214 HB2 TYR 29 HB2 TYR 29 10.134 -0.128 6.526
215 HB3 TYR 29 HB3 TYR 29 8.966 0.998 7.209
216 HD1 TYR 29 HD1 TYR 29 9.434 -1.016 4.090
217 HD2 TYR 29 HD2 TYR 29 6.743 0.418 7.057
218 HE1 TYR 29 HE1 TYR 29 7.607 -2.281 3.036
219 HE2 TYR 29 HE2 TYR 29 4.908 -0.844 6.012
220 HH TYR 29 HH TYR 29 4.283 -1.941 4.101
221 H GLU 30 H GLU 30 9.259 3.914 6.421
222 HA GLU 30 HA GLU 30 6.685 4.182 5.209
223 HB2 GLU 30 HB2 GLU 30 7.143 5.127 7.414
224 HB3 GLU 30 HB3 GLU 30 8.365 6.186 6.725
225 HG2 GLU 30 HG2 GLU 30 6.294 7.381 7.159
226 HG3 GLU 30 HG3 GLU 30 6.667 7.345 5.436
227 H CYS 31 H CYS 31 9.730 6.002 4.858
228 HA CYS 31 HA CYS 31 8.853 7.617 2.726
229 HB2 CYS 31 HB2 CYS 31 11.284 8.031 2.339
230 HB3 CYS 31 HB3 CYS 31 10.789 8.259 4.014
231 H CYS 32 H CYS 32 10.094 4.375 2.848
232 HA CYS 32 HA CYS 32 10.912 4.102 0.169
233 HB2 CYS 32 HB2 CYS 32 10.192 2.247 2.379
234 HB3 CYS 32 HB3 CYS 32 10.183 1.589 0.746
235 H THR 33 H THR 33 7.792 4.195 1.636
236 HA THR 33 HA THR 33 6.573 3.613 -0.981
237 HB THR 33 HB THR 33 4.678 2.546 0.100
238 HG1 THR 33 HG1 THR 33 6.112 3.083 2.504
239 HG21 THR 33 HG21 THR 33 5.803 0.527 1.003
240 HG22 THR 33 HG22 THR 33 7.328 1.413 1.000
241 HG23 THR 33 HG23 THR 33 6.498 1.081 -0.519
242 H SER 34 H SER 34 7.314 6.104 0.612
243 HA SER 34 HA SER 34 4.698 7.411 0.329
244 HB2 SER 34 HB2 SER 34 5.317 6.965 2.761
245 HB3 SER 34 HB3 SER 34 6.632 8.119 2.539
246 HG SER 34 HG SER 34 4.820 9.179 3.354
247 H ASP 35 H ASP 35 5.015 8.623 -1.434
248 HA ASP 35 HA ASP 35 7.497 9.736 -2.206
249 HB2 ASP 35 HB2 ASP 35 5.543 9.239 -3.725
250 HB3 ASP 35 HB3 ASP 35 4.763 10.680 -3.079
251 H SER 36 H SER 36 4.812 10.947 -0.308
252 HA SER 36 HA SER 36 5.620 13.673 -0.303
253 HB2 SER 36 HB2 SER 36 3.818 12.097 1.544
254 HB3 SER 36 HB3 SER 36 4.067 13.838 1.680
255 HG SER 36 HG SER 36 2.708 12.373 -0.269
256 H THR 37 H THR 37 5.943 11.072 2.108
257 HA THR 37 HA THR 37 7.330 12.483 4.052
258 HB THR 37 HB THR 37 7.814 9.578 3.373
259 HG1 THR 37 HG1 THR 37 5.741 10.793 4.909
260 HG21 THR 37 HG21 THR 37 7.701 10.128 6.160
261 HG22 THR 37 HG22 THR 37 8.797 11.294 5.418
262 HG23 THR 37 HG23 THR 37 9.074 9.565 5.209
263 H PHE 38 H PHE 38 8.422 11.258 0.998
264 HA PHE 38 HA PHE 38 11.206 11.246 1.556
265 HB2 PHE 38 HB2 PHE 38 9.913 10.146 -0.407
266 HB3 PHE 38 HB3 PHE 38 10.066 11.718 -1.184
267 HD1 PHE 38 HD1 PHE 38 12.086 9.051 0.436
268 HD2 PHE 38 HD2 PHE 38 11.973 12.230 -2.392
269 HE1 PHE 38 HE1 PHE 38 14.343 8.443 -0.332
270 HE2 PHE 38 HE2 PHE 38 14.229 11.627 -3.165
271 HZ PHE 38 HZ PHE 38 15.417 9.731 -2.136
272 H LYS 39 H LYS 39 8.944 13.700 0.523
273 HA LYS 39 HA LYS 39 10.631 15.633 -0.504
274 HB2 LYS 39 HB2 LYS 39 8.137 15.933 1.172
275 HB3 LYS 39 HB3 LYS 39 8.937 17.284 0.378
276 HG2 LYS 39 HG2 LYS 39 8.524 16.321 -1.787
277 HG3 LYS 39 HG3 LYS 39 7.857 14.862 -1.049
278 HD2 LYS 39 HD2 LYS 39 6.156 16.423 0.057
279 HD3 LYS 39 HD3 LYS 39 6.702 17.636 -1.104
280 HE2 LYS 39 HE2 LYS 39 6.003 16.312 -2.944
281 HE3 LYS 39 HE3 LYS 39 5.751 14.900 -1.920
282 HZ1 LYS 39 HZ1 LYS 39 4.110 16.664 -0.776
283 HZ2 LYS 39 HZ2 LYS 39 3.628 15.583 -1.984
284 HZ3 LYS 39 HZ3 LYS 39 4.022 17.178 -2.386
285 H LYS 40 H LYS 40 9.619 15.264 2.895
286 HA LYS 40 HA LYS 40 11.183 17.321 3.949
287 HB2 LYS 40 HB2 LYS 40 9.942 14.846 5.073
288 HB3 LYS 40 HB3 LYS 40 11.084 15.742 6.066
289 HG2 LYS 40 HG2 LYS 40 9.131 16.718 6.713
290 HG3 LYS 40 HG3 LYS 40 9.577 17.784 5.379
291 HD2 LYS 40 HD2 LYS 40 8.187 16.072 3.958
292 HD3 LYS 40 HD3 LYS 40 7.450 15.693 5.517
293 HE2 LYS 40 HE2 LYS 40 7.608 18.430 4.256
294 HE3 LYS 40 HE3 LYS 40 6.180 17.398 4.297
295 HZ1 LYS 40 HZ1 LYS 40 6.656 17.471 6.856
296 HZ2 LYS 40 HZ2 LYS 40 5.795 18.714 6.098
297 HZ3 LYS 40 HZ3 LYS 40 7.435 18.920 6.462
298 H CYS 41 H CYS 41 11.901 13.837 3.752
299 HA CYS 41 HA CYS 41 14.433 13.883 4.888
300 HB2 CYS 41 HB2 CYS 41 13.355 11.782 4.462
301 HB3 CYS 41 HB3 CYS 41 13.289 12.103 2.732
302 H GLN 42 H GLN 42 13.457 14.474 1.543
303 HA GLN 42 HA GLN 42 15.971 14.579 0.357
304 HB2 GLN 42 HB2 GLN 42 13.322 15.811 -0.263
305 HB3 GLN 42 HB3 GLN 42 14.734 16.346 -1.165
306 HG2 GLN 42 HG2 GLN 42 15.164 13.932 -1.714
307 HG3 GLN 42 HG3 GLN 42 13.583 13.576 -1.022
308 HE21 GLN 42 HE21 GLN 42 14.749 13.436 -3.798
309 HE22 GLN 42 HE22 GLN 42 13.601 14.270 -4.784
310 H ASP 43 H ASP 43 14.271 16.952 2.285
311 HA ASP 43 HA ASP 43 15.975 19.148 1.666
312 HB2 ASP 43 HB2 ASP 43 13.698 19.453 2.557
313 HB3 ASP 43 HB3 ASP 43 14.197 18.710 4.075
314 H LEU 44 H LEU 44 15.978 16.644 4.134
315 HA LEU 44 HA LEU 44 17.963 17.749 5.799
316 HB2 LEU 44 HB2 LEU 44 17.440 14.819 5.351
317 HB3 LEU 44 HB3 LEU 44 18.148 15.576 6.777
318 HG LEU 44 HG LEU 44 15.284 15.855 5.868
319 HD11 LEU 44 HD11 LEU 44 16.675 13.989 7.666
320 HD12 LEU 44 HD12 LEU 44 15.154 13.809 6.792
321 HD13 LEU 44 HD13 LEU 44 15.199 14.707 8.309
322 HD21 LEU 44 HD21 LEU 44 15.637 17.826 6.985
323 HD22 LEU 44 HD22 LEU 44 16.892 17.145 8.020
324 HD23 LEU 44 HD23 LEU 44 15.196 16.770 8.326
325 H LEU 45 H LEU 45 18.206 15.300 3.223
326 HA LEU 45 HA LEU 45 21.054 15.186 3.341
327 HB2 LEU 45 HB2 LEU 45 19.235 14.309 1.106
328 HB3 LEU 45 HB3 LEU 45 20.902 13.801 1.369
329 HG LEU 45 HG LEU 45 18.671 13.195 3.300
330 HD11 LEU 45 HD11 LEU 45 17.967 12.062 1.394
331 HD12 LEU 45 HD12 LEU 45 18.919 10.857 2.261
332 HD13 LEU 45 HD13 LEU 45 19.615 11.704 0.879
333 HD21 LEU 45 HD21 LEU 45 20.671 12.934 4.438
334 HD22 LEU 45 HD22 LEU 45 21.533 12.374 3.005
335 HD23 LEU 45 HD23 LEU 45 20.376 11.313 3.809
336 H HIS 46 H HIS 46 18.751 17.152 1.659
337 HA HIS 46 HA HIS 46 20.964 18.463 0.220
338 HB2 HIS 46 HB2 HIS 46 19.067 17.175 -1.093
339 HB3 HIS 46 HB3 HIS 46 18.157 18.652 -0.791
340 HD1 HIS 46 HD1 HIS 46 20.138 20.823 -1.318
341 HD2 HIS 46 HD2 HIS 46 19.947 17.380 -3.636
342 HE1 HIS 46 HE1 HIS 46 21.189 21.436 -3.519
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 0.552 -3.444 -1.223
2 HA ALA 1 HA ALA 1 0.814 -0.669 -2.038
3 HB1 ALA 1 HB1 ALA 1 2.694 -0.402 -0.292
4 HB2 ALA 1 HB2 ALA 1 1.020 -0.220 0.232
5 HB3 ALA 1 HB3 ALA 1 1.885 -1.723 0.552
6 H ASP 2 H ASP 2 3.321 -0.211 -2.282
7 HA ASP 2 HA ASP 2 4.717 -2.597 -3.241
8 HB2 ASP 2 HB2 ASP 2 3.941 -0.220 -4.910
9 HB3 ASP 2 HB3 ASP 2 5.371 -1.168 -5.307
10 H ASN 3 H ASN 3 6.905 -2.513 -3.025
11 HA ASN 3 HA ASN 3 7.968 -0.186 -1.611
12 HB2 ASN 3 HB2 ASN 3 8.649 -3.069 -1.739
13 HB3 ASN 3 HB3 ASN 3 10.000 -1.958 -1.535
14 HD21 ASN 3 HD21 ASN 3 8.381 -3.943 0.198
15 HD22 ASN 3 HD22 ASN 3 8.148 -3.065 1.668
16 H LYS 4 H LYS 4 8.896 1.333 -2.805
17 HA LYS 4 HA LYS 4 9.839 0.863 -5.459
18 HB2 LYS 4 HB2 LYS 4 10.423 3.295 -3.776
19 HB3 LYS 4 HB3 LYS 4 10.340 3.188 -5.530
20 HG2 LYS 4 HG2 LYS 4 8.008 2.848 -3.655
21 HG3 LYS 4 HG3 LYS 4 8.387 4.310 -4.567
22 HD2 LYS 4 HD2 LYS 4 6.933 3.402 -6.047
23 HD3 LYS 4 HD3 LYS 4 8.373 2.527 -6.572
24 HE2 LYS 4 HE2 LYS 4 7.728 0.571 -5.498
25 HE3 LYS 4 HE3 LYS 4 6.629 1.415 -4.409
26 HZ1 LYS 4 HZ1 LYS 4 5.954 0.117 -6.726
27 HZ2 LYS 4 HZ2 LYS 4 5.872 1.756 -7.133
28 HZ3 LYS 4 HZ3 LYS 4 4.965 1.161 -5.834
29 H CYS 5 H CYS 5 11.431 1.568 -2.363
30 HA CYS 5 HA CYS 5 14.062 1.647 -3.260
31 HB2 CYS 5 HB2 CYS 5 14.654 0.966 -0.910
32 HB3 CYS 5 HB3 CYS 5 13.565 2.344 -1.026
33 H GLU 6 H GLU 6 11.973 -1.078 -2.613
34 HA GLU 6 HA GLU 6 13.882 -3.114 -2.453
35 HB2 GLU 6 HB2 GLU 6 10.992 -2.946 -3.034
36 HB3 GLU 6 HB3 GLU 6 11.801 -4.380 -3.649
37 HG2 GLU 6 HG2 GLU 6 10.750 -4.521 -1.341
38 HG3 GLU 6 HG3 GLU 6 12.405 -5.102 -1.517
39 H ASN 7 H ASN 7 12.705 -1.307 -5.161
40 HA ASN 7 HA ASN 7 14.079 -3.126 -7.019
41 HB2 ASN 7 HB2 ASN 7 12.075 -0.941 -7.629
42 HB3 ASN 7 HB3 ASN 7 12.778 -2.057 -8.796
43 HD21 ASN 7 HD21 ASN 7 10.145 -1.966 -8.743
44 HD22 ASN 7 HD22 ASN 7 9.470 -3.356 -7.970
45 H SER 8 H SER 8 14.082 0.068 -5.683
46 HA SER 8 HA SER 8 16.214 0.882 -7.538
47 HB2 SER 8 HB2 SER 8 14.314 2.476 -5.821
48 HB3 SER 8 HB3 SER 8 15.748 3.198 -6.551
49 HG SER 8 HG SER 8 14.879 2.340 -8.593
50 H LEU 9 H LEU 9 18.223 0.744 -6.817
51 HA LEU 9 HA LEU 9 18.852 0.156 -4.113
52 HB2 LEU 9 HB2 LEU 9 21.097 0.065 -4.797
53 HB3 LEU 9 HB3 LEU 9 20.153 -0.525 -6.164
54 HG LEU 9 HG LEU 9 20.381 2.044 -6.881
55 HD11 LEU 9 HD11 LEU 9 21.755 3.117 -5.482
56 HD12 LEU 9 HD12 LEU 9 23.042 2.244 -6.313
57 HD13 LEU 9 HD13 LEU 9 22.389 1.620 -4.799
58 HD21 LEU 9 HD21 LEU 9 21.013 0.462 -8.437
59 HD22 LEU 9 HD22 LEU 9 22.149 -0.322 -7.338
60 HD23 LEU 9 HD23 LEU 9 22.555 1.234 -8.065
61 H ARG 10 H ARG 10 18.905 3.090 -6.047
62 HA ARG 10 HA ARG 10 20.320 4.694 -4.189
63 HB2 ARG 10 HB2 ARG 10 18.729 5.146 -6.643
64 HB3 ARG 10 HB3 ARG 10 18.849 6.511 -5.543
65 HG2 ARG 10 HG2 ARG 10 21.365 6.120 -5.593
66 HG3 ARG 10 HG3 ARG 10 21.052 5.071 -6.977
67 HD2 ARG 10 HD2 ARG 10 19.876 6.986 -8.064
68 HD3 ARG 10 HD3 ARG 10 20.409 8.005 -6.727
69 HE ARG 10 HE ARG 10 22.612 6.672 -7.907
70 HH11 ARG 10 HH11 ARG 10 20.376 9.288 -8.437
71 HH12 ARG 10 HH12 ARG 10 21.470 10.194 -9.429
72 HH21 ARG 10 HH21 ARG 10 24.060 7.856 -9.212
73 HH22 ARG 10 HH22 ARG 10 23.565 9.378 -9.870
74 H ARG 11 H ARG 11 16.863 4.176 -4.785
75 HA ARG 11 HA ARG 11 15.898 6.041 -2.921
76 HB2 ARG 11 HB2 ARG 11 14.485 5.034 -4.654
77 HB3 ARG 11 HB3 ARG 11 14.630 3.466 -3.871
78 HG2 ARG 11 HG2 ARG 11 12.565 4.200 -3.157
79 HG3 ARG 11 HG3 ARG 11 13.617 4.663 -1.817
80 HD2 ARG 11 HD2 ARG 11 12.467 6.616 -2.101
81 HD3 ARG 11 HD3 ARG 11 13.816 6.899 -3.200
82 HE ARG 11 HE ARG 11 11.531 5.666 -4.442
83 HH11 ARG 11 HH11 ARG 11 13.043 8.671 -3.543
84 HH12 ARG 11 HH12 ARG 11 12.205 9.601 -4.741
85 HH21 ARG 11 HH21 ARG 11 10.422 6.881 -6.023
86 HH22 ARG 11 HH22 ARG 11 10.714 8.582 -6.150
87 H GLU 12 H GLU 12 16.969 2.719 -2.577
88 HA GLU 12 HA GLU 12 15.985 2.362 0.075
89 HB2 GLU 12 HB2 GLU 12 16.683 0.573 -1.665
90 HB3 GLU 12 HB3 GLU 12 18.315 0.852 -1.073
91 HG2 GLU 12 HG2 GLU 12 17.216 0.448 1.263
92 HG3 GLU 12 HG3 GLU 12 15.980 -0.370 0.309
93 H ILE 13 H ILE 13 19.233 3.003 -1.236
94 HA ILE 13 HA ILE 13 20.549 3.209 1.231
95 HB ILE 13 HB ILE 13 21.236 4.580 -1.371
96 HG12 ILE 13 HG12 ILE 13 22.500 2.077 -0.285
97 HG13 ILE 13 HG13 ILE 13 21.030 1.998 -1.249
98 HG21 ILE 13 HG21 ILE 13 22.776 5.640 -0.157
99 HG22 ILE 13 HG22 ILE 13 22.463 4.637 1.258
100 HG23 ILE 13 HG23 ILE 13 23.574 4.077 0.008
101 HD11 ILE 13 HD11 ILE 13 23.679 3.133 -2.110
102 HD12 ILE 13 HD12 ILE 13 22.951 1.617 -2.643
103 HD13 ILE 13 HD13 ILE 13 22.203 3.155 -3.076
104 H ALA 14 H ALA 14 18.703 5.537 -0.624
105 HA ALA 14 HA ALA 14 19.522 7.844 0.822
106 HB1 ALA 14 HB1 ALA 14 17.171 8.631 -0.152
107 HB2 ALA 14 HB2 ALA 14 18.616 8.497 -1.154
108 HB3 ALA 14 HB3 ALA 14 17.416 7.204 -1.159
109 H CYS 15 H CYS 15 16.773 5.629 1.105
110 HA CYS 15 HA CYS 15 15.424 7.035 3.145
111 HB2 CYS 15 HB2 CYS 15 15.287 4.329 1.953
112 HB3 CYS 15 HB3 CYS 15 14.646 4.481 3.586
113 H GLY 16 H GLY 16 17.839 4.445 3.233
114 HA2 GLY 16 HA2 GLY 16 17.804 3.880 5.955
115 HA3 GLY 16 HA3 GLY 16 19.217 3.725 4.921
116 H GLN 17 H GLN 17 19.624 6.392 4.234
117 HA GLN 17 HA GLN 17 21.120 7.313 6.412
118 HB2 GLN 17 HB2 GLN 17 20.188 8.616 3.868
119 HB3 GLN 17 HB3 GLN 17 21.110 9.517 5.064
120 HG2 GLN 17 HG2 GLN 17 22.772 7.522 4.878
121 HG3 GLN 17 HG3 GLN 17 21.959 7.240 3.339
122 HE21 GLN 17 HE21 GLN 17 22.540 8.414 1.630
123 HE22 GLN 17 HE22 GLN 17 23.615 9.765 1.668
124 H CYS 18 H CYS 18 18.125 8.699 5.051
125 HA CYS 18 HA CYS 18 17.729 10.600 7.070
126 HB2 CYS 18 HB2 CYS 18 15.977 9.324 5.010
127 HB3 CYS 18 HB3 CYS 18 15.229 10.293 6.276
128 H ARG 19 H ARG 19 16.874 7.213 6.870
129 HA ARG 19 HA ARG 19 14.984 7.054 8.910
130 HB2 ARG 19 HB2 ARG 19 15.485 5.192 7.398
131 HB3 ARG 19 HB3 ARG 19 17.077 5.019 8.124
132 HG2 ARG 19 HG2 ARG 19 15.508 4.808 10.314
133 HG3 ARG 19 HG3 ARG 19 14.454 4.115 9.079
134 HD2 ARG 19 HD2 ARG 19 16.541 2.758 8.391
135 HD3 ARG 19 HD3 ARG 19 17.165 3.207 9.978
136 HE ARG 19 HE ARG 19 14.552 2.115 10.177
137 HH11 ARG 19 HH11 ARG 19 17.888 1.242 9.696
138 HH12 ARG 19 HH12 ARG 19 17.702 -0.348 10.357
139 HH21 ARG 19 HH21 ARG 19 14.295 0.024 11.049
140 HH22 ARG 19 HH22 ARG 19 15.658 -1.041 11.125
141 H ASP 20 H ASP 20 18.499 7.132 9.054
142 HA ASP 20 HA ASP 20 18.559 6.660 11.903
143 HB2 ASP 20 HB2 ASP 20 20.364 6.084 10.068
144 HB3 ASP 20 HB3 ASP 20 20.910 7.727 10.393
145 H LYS 21 H LYS 21 19.418 9.386 9.773
146 HA LYS 21 HA LYS 21 19.998 11.259 11.732
147 HB2 LYS 21 HB2 LYS 21 18.745 11.674 9.013
148 HB3 LYS 21 HB3 LYS 21 19.392 12.967 10.013
149 HG2 LYS 21 HG2 LYS 21 21.129 10.652 9.295
150 HG3 LYS 21 HG3 LYS 21 20.834 11.930 8.115
151 HD2 LYS 21 HD2 LYS 21 22.706 12.758 9.142
152 HD3 LYS 21 HD3 LYS 21 21.455 13.485 10.153
153 HE2 LYS 21 HE2 LYS 21 21.877 12.081 11.920
154 HE3 LYS 21 HE3 LYS 21 22.512 10.799 10.889
155 HZ1 LYS 21 HZ1 LYS 21 24.516 11.507 11.478
156 HZ2 LYS 21 HZ2 LYS 21 23.904 12.901 12.213
157 HZ3 LYS 21 HZ3 LYS 21 24.242 12.898 10.556
158 H VAL 22 H VAL 22 16.884 10.846 10.036
159 HA VAL 22 HA VAL 22 15.412 12.696 11.488
160 HB VAL 22 HB VAL 22 14.452 10.101 10.275
161 HG11 VAL 22 HG11 VAL 22 12.361 11.873 10.183
162 HG12 VAL 22 HG12 VAL 22 12.546 10.563 11.351
163 HG13 VAL 22 HG13 VAL 22 13.070 12.195 11.765
164 HG21 VAL 22 HG21 VAL 22 13.897 11.391 8.336
165 HG22 VAL 22 HG22 VAL 22 14.348 12.893 9.142
166 HG23 VAL 22 HG23 VAL 22 15.586 11.705 8.734
167 H LYS 23 H LYS 23 16.511 9.543 12.391
168 HA LYS 23 HA LYS 23 16.337 8.324 14.304
169 HB2 LYS 23 HB2 LYS 23 15.832 11.115 15.268
170 HB3 LYS 23 HB3 LYS 23 15.660 9.766 16.383
171 HG2 LYS 23 HG2 LYS 23 17.905 9.265 16.339
172 HG3 LYS 23 HG3 LYS 23 18.151 10.022 14.764
173 HD2 LYS 23 HD2 LYS 23 19.160 11.509 16.249
174 HD3 LYS 23 HD3 LYS 23 17.569 12.222 15.970
175 HE2 LYS 23 HE2 LYS 23 17.941 12.336 18.301
176 HE3 LYS 23 HE3 LYS 23 16.803 11.013 18.051
177 HZ1 LYS 23 HZ1 LYS 23 18.746 10.624 19.626
178 HZ2 LYS 23 HZ2 LYS 23 19.711 10.524 18.240
179 HZ3 LYS 23 HZ3 LYS 23 18.439 9.430 18.467
180 H THR 24 H THR 24 14.227 7.946 12.696
181 HA THR 24 HA THR 24 12.002 7.684 14.599
182 HB THR 24 HB THR 24 11.726 8.536 11.710
183 HG1 THR 24 HG1 THR 24 10.745 9.988 13.910
184 HG21 THR 24 HG21 THR 24 9.744 7.483 11.860
185 HG22 THR 24 HG22 THR 24 9.272 8.841 12.881
186 HG23 THR 24 HG23 THR 24 9.845 7.343 13.614
187 H ASP 25 H ASP 25 11.623 5.595 14.882
188 HA ASP 25 HA ASP 25 12.597 3.562 13.185
189 HB2 ASP 25 HB2 ASP 25 11.654 3.636 15.742
190 HB3 ASP 25 HB3 ASP 25 10.311 2.859 14.909
191 H GLY 26 H GLY 26 11.722 2.507 11.495
192 HA2 GLY 26 HA2 GLY 26 10.001 1.682 10.125
193 HA3 GLY 26 HA3 GLY 26 8.864 2.732 10.957
194 H TYR 27 H TYR 27 11.047 4.904 10.505
195 HA TYR 27 HA TYR 27 9.817 6.266 8.444
196 HB2 TYR 27 HB2 TYR 27 11.488 7.170 10.123
197 HB3 TYR 27 HB3 TYR 27 12.756 6.516 9.093
198 HD1 TYR 27 HD1 TYR 27 13.186 7.485 6.883
199 HD2 TYR 27 HD2 TYR 27 10.247 9.135 9.480
200 HE1 TYR 27 HE1 TYR 27 13.146 9.536 5.525
201 HE2 TYR 27 HE2 TYR 27 10.198 11.190 8.129
202 HH TYR 27 HH TYR 27 11.574 12.398 6.565
203 H PHE 28 H PHE 28 12.677 4.171 8.284
204 HA PHE 28 HA PHE 28 13.355 4.520 5.626
205 HB2 PHE 28 HB2 PHE 28 14.807 3.259 7.047
206 HB3 PHE 28 HB3 PHE 28 13.548 2.076 7.387
207 HD1 PHE 28 HD1 PHE 28 12.947 0.390 5.741
208 HD2 PHE 28 HD2 PHE 28 16.067 3.190 5.004
209 HE1 PHE 28 HE1 PHE 28 13.753 -1.003 3.880
210 HE2 PHE 28 HE2 PHE 28 16.877 1.803 3.141
211 HZ PHE 28 HZ PHE 28 15.721 -0.297 2.577
212 H TYR 29 H TYR 29 11.050 2.209 7.023
213 HA TYR 29 HA TYR 29 10.298 1.134 4.478
214 HB2 TYR 29 HB2 TYR 29 10.154 -0.058 6.722
215 HB3 TYR 29 HB3 TYR 29 8.726 0.919 7.046
216 HD1 TYR 29 HD1 TYR 29 6.660 0.556 5.796
217 HD2 TYR 29 HD2 TYR 29 10.098 -1.854 5.103
218 HE1 TYR 29 HE1 TYR 29 5.265 -1.079 4.599
219 HE2 TYR 29 HE2 TYR 29 8.713 -3.495 3.904
220 HH TYR 29 HH TYR 29 5.849 -3.991 4.119
221 H GLU 30 H GLU 30 9.348 3.850 6.360
222 HA GLU 30 HA GLU 30 6.728 4.156 5.249
223 HB2 GLU 30 HB2 GLU 30 7.249 5.122 7.415
224 HB3 GLU 30 HB3 GLU 30 8.518 6.108 6.704
225 HG2 GLU 30 HG2 GLU 30 6.550 7.439 7.133
226 HG3 GLU 30 HG3 GLU 30 6.846 7.321 5.399
227 H CYS 31 H CYS 31 9.797 5.908 4.766
228 HA CYS 31 HA CYS 31 8.878 7.515 2.647
229 HB2 CYS 31 HB2 CYS 31 11.303 7.868 2.167
230 HB3 CYS 31 HB3 CYS 31 10.871 8.133 3.853
231 H CYS 32 H CYS 32 10.048 4.247 2.765
232 HA CYS 32 HA CYS 32 10.785 3.911 0.076
233 HB2 CYS 32 HB2 CYS 32 10.017 2.105 2.313
234 HB3 CYS 32 HB3 CYS 32 9.972 1.437 0.684
235 H THR 33 H THR 33 7.708 4.223 1.570
236 HA THR 33 HA THR 33 6.418 3.694 -1.018
237 HB THR 33 HB THR 33 4.555 2.583 0.007
238 HG1 THR 33 HG1 THR 33 5.877 3.152 2.467
239 HG21 THR 33 HG21 THR 33 5.534 0.540 0.524
240 HG22 THR 33 HG22 THR 33 6.890 1.289 1.368
241 HG23 THR 33 HG23 THR 33 6.805 1.349 -0.392
242 H SER 34 H SER 34 7.251 6.109 0.642
243 HA SER 34 HA SER 34 4.657 7.482 0.477
244 HB2 SER 34 HB2 SER 34 5.165 7.046 2.853
245 HB3 SER 34 HB3 SER 34 6.706 7.884 2.672
246 HG SER 34 HG SER 34 4.139 9.031 2.268
247 H ASP 35 H ASP 35 4.981 8.664 -1.320
248 HA ASP 35 HA ASP 35 7.457 9.786 -2.095
249 HB2 ASP 35 HB2 ASP 35 5.325 9.287 -3.506
250 HB3 ASP 35 HB3 ASP 35 4.818 10.897 -3.001
251 H SER 36 H SER 36 4.879 10.901 -0.050
252 HA SER 36 HA SER 36 5.582 13.665 -0.094
253 HB2 SER 36 HB2 SER 36 4.216 13.558 2.162
254 HB3 SER 36 HB3 SER 36 3.398 13.371 0.611
255 HG SER 36 HG SER 36 2.885 11.758 2.253
256 H THR 37 H THR 37 6.161 11.034 2.228
257 HA THR 37 HA THR 37 7.576 12.466 4.139
258 HB THR 37 HB THR 37 7.986 9.586 3.309
259 HG1 THR 37 HG1 THR 37 6.399 10.735 5.383
260 HG21 THR 37 HG21 THR 37 8.676 9.507 5.836
261 HG22 THR 37 HG22 THR 37 9.034 11.215 5.584
262 HG23 THR 37 HG23 THR 37 9.849 9.991 4.611
263 H PHE 38 H PHE 38 8.573 11.330 1.009
264 HA PHE 38 HA PHE 38 11.376 11.478 1.420
265 HB2 PHE 38 HB2 PHE 38 9.950 10.387 -0.516
266 HB3 PHE 38 HB3 PHE 38 10.174 11.959 -1.275
267 HD1 PHE 38 HD1 PHE 38 11.857 8.931 -0.075
268 HD2 PHE 38 HD2 PHE 38 12.315 12.649 -2.095
269 HE1 PHE 38 HE1 PHE 38 14.083 8.229 -0.856
270 HE2 PHE 38 HE2 PHE 38 14.540 11.953 -2.880
271 HZ PHE 38 HZ PHE 38 15.427 9.740 -2.262
272 H LYS 39 H LYS 39 8.929 13.810 0.537
273 HA LYS 39 HA LYS 39 10.433 15.847 -0.557
274 HB2 LYS 39 HB2 LYS 39 8.063 16.019 1.309
275 HB3 LYS 39 HB3 LYS 39 8.717 17.392 0.425
276 HG2 LYS 39 HG2 LYS 39 7.999 16.587 -1.620
277 HG3 LYS 39 HG3 LYS 39 7.884 14.924 -1.039
278 HD2 LYS 39 HD2 LYS 39 5.663 15.509 -1.116
279 HD3 LYS 39 HD3 LYS 39 6.058 15.937 0.551
280 HE2 LYS 39 HE2 LYS 39 6.404 17.992 -1.577
281 HE3 LYS 39 HE3 LYS 39 4.772 17.610 -1.030
282 HZ1 LYS 39 HZ1 LYS 39 6.168 17.890 1.281
283 HZ2 LYS 39 HZ2 LYS 39 5.172 19.067 0.585
284 HZ3 LYS 39 HZ3 LYS 39 6.838 19.091 0.295
285 H LYS 40 H LYS 40 9.693 15.360 2.896
286 HA LYS 40 HA LYS 40 11.319 17.488 3.806
287 HB2 LYS 40 HB2 LYS 40 10.166 15.057 5.162
288 HB3 LYS 40 HB3 LYS 40 11.162 16.220 6.027
289 HG2 LYS 40 HG2 LYS 40 8.972 16.880 6.469
290 HG3 LYS 40 HG3 LYS 40 9.515 17.986 5.204
291 HD2 LYS 40 HD2 LYS 40 8.272 16.867 3.548
292 HD3 LYS 40 HD3 LYS 40 8.022 15.454 4.575
293 HE2 LYS 40 HE2 LYS 40 6.992 18.065 5.541
294 HE3 LYS 40 HE3 LYS 40 6.141 17.297 4.202
295 HZ1 LYS 40 HZ1 LYS 40 5.131 16.011 5.672
296 HZ2 LYS 40 HZ2 LYS 40 6.027 16.673 6.945
297 HZ3 LYS 40 HZ3 LYS 40 6.618 15.329 6.104
298 H CYS 41 H CYS 41 11.873 13.982 3.615
299 HA CYS 41 HA CYS 41 14.406 13.896 4.751
300 HB2 CYS 41 HB2 CYS 41 13.242 11.850 4.311
301 HB3 CYS 41 HB3 CYS 41 13.163 12.197 2.586
302 H GLN 42 H GLN 42 13.404 14.907 1.568
303 HA GLN 42 HA GLN 42 15.948 14.811 0.325
304 HB2 GLN 42 HB2 GLN 42 13.364 16.205 -0.282
305 HB3 GLN 42 HB3 GLN 42 14.808 16.584 -1.212
306 HG2 GLN 42 HG2 GLN 42 14.007 13.736 -0.879
307 HG3 GLN 42 HG3 GLN 42 13.128 14.754 -2.020
308 HE21 GLN 42 HE21 GLN 42 14.176 15.530 -3.843
309 HE22 GLN 42 HE22 GLN 42 15.680 14.881 -4.390
310 H ASP 43 H ASP 43 14.277 17.227 2.241
311 HA ASP 43 HA ASP 43 16.058 19.371 1.686
312 HB2 ASP 43 HB2 ASP 43 13.672 19.444 2.694
313 HB3 ASP 43 HB3 ASP 43 14.475 19.132 4.230
314 H LEU 44 H LEU 44 16.032 16.763 4.014
315 HA LEU 44 HA LEU 44 18.037 17.823 5.729
316 HB2 LEU 44 HB2 LEU 44 17.491 14.898 5.352
317 HB3 LEU 44 HB3 LEU 44 18.029 15.740 6.805
318 HG LEU 44 HG LEU 44 15.270 15.883 5.590
319 HD11 LEU 44 HD11 LEU 44 14.535 14.552 7.394
320 HD12 LEU 44 HD12 LEU 44 16.088 14.677 8.219
321 HD13 LEU 44 HD13 LEU 44 15.952 13.736 6.734
322 HD21 LEU 44 HD21 LEU 44 14.948 16.924 8.006
323 HD22 LEU 44 HD22 LEU 44 15.383 17.914 6.613
324 HD23 LEU 44 HD23 LEU 44 16.628 17.397 7.752
325 H LEU 45 H LEU 45 18.134 15.360 3.157
326 HA LEU 45 HA LEU 45 20.946 15.006 3.275
327 HB2 LEU 45 HB2 LEU 45 19.012 14.416 1.039
328 HB3 LEU 45 HB3 LEU 45 20.673 13.836 1.131
329 HG LEU 45 HG LEU 45 18.456 13.107 3.045
330 HD11 LEU 45 HD11 LEU 45 19.700 11.618 0.743
331 HD12 LEU 45 HD12 LEU 45 18.012 12.090 0.937
332 HD13 LEU 45 HD13 LEU 45 18.709 10.857 1.988
333 HD21 LEU 45 HD21 LEU 45 20.698 13.121 4.060
334 HD22 LEU 45 HD22 LEU 45 21.263 12.029 2.796
335 HD23 LEU 45 HD23 LEU 45 20.028 11.494 3.937
336 H HIS 46 H HIS 46 18.871 17.258 1.635
337 HA HIS 46 HA HIS 46 20.944 18.170 -0.169
338 HB2 HIS 46 HB2 HIS 46 18.566 18.160 -0.859
339 HB3 HIS 46 HB3 HIS 46 18.213 19.347 0.394
340 HD1 HIS 46 HD1 HIS 46 17.515 21.214 -1.177
341 HD2 HIS 46 HD2 HIS 46 21.313 19.733 -1.981
342 HE1 HIS 46 HE1 HIS 46 18.526 22.817 -2.829
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 -0.117 0.816 -0.424
2 HA ALA 1 HA ALA 1 2.360 0.768 0.508
3 HB1 ALA 1 HB1 ALA 1 0.623 -1.660 0.889
4 HB2 ALA 1 HB2 ALA 1 1.795 -0.973 2.014
5 HB3 ALA 1 HB3 ALA 1 0.299 -0.108 1.662
6 H ASP 2 H ASP 2 3.164 0.455 -1.951
7 HA ASP 2 HA ASP 2 4.087 -2.330 -2.208
8 HB2 ASP 2 HB2 ASP 2 2.726 -1.065 -4.081
9 HB3 ASP 2 HB3 ASP 2 4.300 -0.369 -4.456
10 H ASN 3 H ASN 3 6.205 -2.771 -2.090
11 HA ASN 3 HA ASN 3 8.020 -0.776 -1.199
12 HB2 ASN 3 HB2 ASN 3 8.136 -3.687 -1.766
13 HB3 ASN 3 HB3 ASN 3 9.666 -2.816 -1.806
14 HD21 ASN 3 HD21 ASN 3 10.486 -1.934 0.072
15 HD22 ASN 3 HD22 ASN 3 9.869 -2.339 1.634
16 H LYS 4 H LYS 4 8.790 0.756 -2.492
17 HA LYS 4 HA LYS 4 9.321 0.144 -5.305
18 HB2 LYS 4 HB2 LYS 4 9.483 2.852 -3.991
19 HB3 LYS 4 HB3 LYS 4 9.316 2.489 -5.704
20 HG2 LYS 4 HG2 LYS 4 7.229 1.959 -3.598
21 HG3 LYS 4 HG3 LYS 4 7.234 3.319 -4.723
22 HD2 LYS 4 HD2 LYS 4 7.233 0.435 -5.597
23 HD3 LYS 4 HD3 LYS 4 5.764 1.389 -5.381
24 HE2 LYS 4 HE2 LYS 4 6.869 3.073 -6.975
25 HE3 LYS 4 HE3 LYS 4 7.974 1.759 -7.377
26 HZ1 LYS 4 HZ1 LYS 4 5.017 1.663 -7.637
27 HZ2 LYS 4 HZ2 LYS 4 6.084 0.413 -8.037
28 HZ3 LYS 4 HZ3 LYS 4 6.110 1.860 -8.913
29 H CYS 5 H CYS 5 10.912 1.166 -2.348
30 HA CYS 5 HA CYS 5 13.424 1.789 -3.500
31 HB2 CYS 5 HB2 CYS 5 14.282 1.691 -1.212
32 HB3 CYS 5 HB3 CYS 5 12.757 2.570 -1.264
33 H GLU 6 H GLU 6 11.882 -1.182 -2.634
34 HA GLU 6 HA GLU 6 14.063 -2.858 -2.225
35 HB2 GLU 6 HB2 GLU 6 11.863 -3.680 -1.791
36 HB3 GLU 6 HB3 GLU 6 11.360 -3.392 -3.451
37 HG2 GLU 6 HG2 GLU 6 11.696 -5.746 -3.094
38 HG3 GLU 6 HG3 GLU 6 12.915 -5.132 -4.210
39 H ASN 7 H ASN 7 12.765 -1.519 -5.171
40 HA ASN 7 HA ASN 7 14.565 -3.168 -6.790
41 HB2 ASN 7 HB2 ASN 7 12.143 -1.511 -7.387
42 HB3 ASN 7 HB3 ASN 7 13.301 -1.836 -8.674
43 HD21 ASN 7 HD21 ASN 7 10.761 -2.720 -8.923
44 HD22 ASN 7 HD22 ASN 7 10.706 -4.440 -8.771
45 H SER 8 H SER 8 14.037 0.102 -5.709
46 HA SER 8 HA SER 8 16.139 1.130 -7.455
47 HB2 SER 8 HB2 SER 8 14.107 2.480 -7.222
48 HB3 SER 8 HB3 SER 8 14.345 2.559 -5.476
49 HG SER 8 HG SER 8 15.530 4.006 -7.472
50 H LEU 9 H LEU 9 18.169 0.961 -6.796
51 HA LEU 9 HA LEU 9 18.922 0.384 -4.129
52 HB2 LEU 9 HB2 LEU 9 21.151 0.438 -4.891
53 HB3 LEU 9 HB3 LEU 9 20.188 -0.209 -6.218
54 HG LEU 9 HG LEU 9 20.232 2.362 -6.950
55 HD11 LEU 9 HD11 LEU 9 22.326 2.086 -4.935
56 HD12 LEU 9 HD12 LEU 9 21.590 3.534 -5.619
57 HD13 LEU 9 HD13 LEU 9 22.900 2.722 -6.476
58 HD21 LEU 9 HD21 LEU 9 22.449 1.660 -8.173
59 HD22 LEU 9 HD22 LEU 9 20.917 0.871 -8.549
60 HD23 LEU 9 HD23 LEU 9 22.076 0.083 -7.477
61 H ARG 10 H ARG 10 18.784 3.352 -6.012
62 HA ARG 10 HA ARG 10 20.174 4.985 -4.158
63 HB2 ARG 10 HB2 ARG 10 18.494 5.416 -6.562
64 HB3 ARG 10 HB3 ARG 10 18.616 6.767 -5.443
65 HG2 ARG 10 HG2 ARG 10 21.134 6.459 -5.586
66 HG3 ARG 10 HG3 ARG 10 20.812 5.406 -6.965
67 HD2 ARG 10 HD2 ARG 10 19.923 7.148 -8.240
68 HD3 ARG 10 HD3 ARG 10 19.662 8.169 -6.826
69 HE ARG 10 HE ARG 10 22.095 7.889 -8.344
70 HH11 ARG 10 HH11 ARG 10 20.685 8.826 -5.302
71 HH12 ARG 10 HH12 ARG 10 22.002 9.863 -4.862
72 HH21 ARG 10 HH21 ARG 10 23.834 9.251 -7.776
73 HH22 ARG 10 HH22 ARG 10 23.792 10.105 -6.271
74 H ARG 11 H ARG 11 16.729 4.329 -4.691
75 HA ARG 11 HA ARG 11 15.727 6.119 -2.774
76 HB2 ARG 11 HB2 ARG 11 14.412 4.933 -4.572
77 HB3 ARG 11 HB3 ARG 11 14.474 3.490 -3.567
78 HG2 ARG 11 HG2 ARG 11 12.415 4.385 -3.043
79 HG3 ARG 11 HG3 ARG 11 13.439 5.003 -1.745
80 HD2 ARG 11 HD2 ARG 11 12.157 6.842 -2.466
81 HD3 ARG 11 HD3 ARG 11 13.754 7.072 -3.177
82 HE ARG 11 HE ARG 11 12.401 5.769 -5.119
83 HH11 ARG 11 HH11 ARG 11 11.721 8.616 -3.235
84 HH12 ARG 11 HH12 ARG 11 10.790 9.378 -4.482
85 HH21 ARG 11 HH21 ARG 11 11.178 6.762 -6.769
86 HH22 ARG 11 HH22 ARG 11 10.481 8.322 -6.491
87 H GLU 12 H GLU 12 16.884 2.809 -2.517
88 HA GLU 12 HA GLU 12 16.002 2.407 0.164
89 HB2 GLU 12 HB2 GLU 12 16.663 0.652 -1.630
90 HB3 GLU 12 HB3 GLU 12 18.308 0.937 -1.078
91 HG2 GLU 12 HG2 GLU 12 17.262 0.490 1.281
92 HG3 GLU 12 HG3 GLU 12 16.023 -0.337 0.339
93 H ILE 13 H ILE 13 19.186 3.119 -1.262
94 HA ILE 13 HA ILE 13 20.576 3.318 1.175
95 HB ILE 13 HB ILE 13 21.196 4.665 -1.456
96 HG12 ILE 13 HG12 ILE 13 22.482 2.169 -0.377
97 HG13 ILE 13 HG13 ILE 13 20.992 2.087 -1.311
98 HG21 ILE 13 HG21 ILE 13 23.565 4.159 -0.115
99 HG22 ILE 13 HG22 ILE 13 22.782 5.727 -0.310
100 HG23 ILE 13 HG23 ILE 13 22.481 4.765 1.137
101 HD11 ILE 13 HD11 ILE 13 22.177 3.309 -3.139
102 HD12 ILE 13 HD12 ILE 13 23.665 3.115 -2.212
103 HD13 ILE 13 HD13 ILE 13 22.797 1.695 -2.793
104 H ALA 14 H ALA 14 18.653 5.614 -0.630
105 HA ALA 14 HA ALA 14 19.520 7.946 0.747
106 HB1 ALA 14 HB1 ALA 14 17.279 8.851 -0.157
107 HB2 ALA 14 HB2 ALA 14 18.531 8.384 -1.308
108 HB3 ALA 14 HB3 ALA 14 17.172 7.304 -0.997
109 H CYS 15 H CYS 15 16.946 5.603 1.271
110 HA CYS 15 HA CYS 15 15.699 7.087 3.381
111 HB2 CYS 15 HB2 CYS 15 15.358 4.388 2.164
112 HB3 CYS 15 HB3 CYS 15 14.714 4.645 3.782
113 H GLY 16 H GLY 16 18.002 4.414 3.190
114 HA2 GLY 16 HA2 GLY 16 18.089 3.644 5.852
115 HA3 GLY 16 HA3 GLY 16 19.457 3.568 4.752
116 H GLN 17 H GLN 17 19.843 6.290 4.271
117 HA GLN 17 HA GLN 17 21.356 7.012 6.554
118 HB2 GLN 17 HB2 GLN 17 20.603 8.557 4.072
119 HB3 GLN 17 HB3 GLN 17 21.692 9.177 5.306
120 HG2 GLN 17 HG2 GLN 17 22.987 6.958 4.882
121 HG3 GLN 17 HG3 GLN 17 22.103 6.962 3.356
122 HE21 GLN 17 HE21 GLN 17 23.145 7.862 1.744
123 HE22 GLN 17 HE22 GLN 17 24.315 9.127 1.858
124 H CYS 18 H CYS 18 18.482 8.527 5.082
125 HA CYS 18 HA CYS 18 18.072 10.480 7.023
126 HB2 CYS 18 HB2 CYS 18 16.390 9.166 4.958
127 HB3 CYS 18 HB3 CYS 18 15.544 10.035 6.234
128 H ARG 19 H ARG 19 17.231 7.089 6.999
129 HA ARG 19 HA ARG 19 15.325 7.015 9.023
130 HB2 ARG 19 HB2 ARG 19 15.777 5.055 7.704
131 HB3 ARG 19 HB3 ARG 19 17.444 5.003 8.262
132 HG2 ARG 19 HG2 ARG 19 16.674 4.503 10.526
133 HG3 ARG 19 HG3 ARG 19 15.001 4.556 9.965
134 HD2 ARG 19 HD2 ARG 19 15.111 2.492 9.110
135 HD3 ARG 19 HD3 ARG 19 16.685 2.791 8.374
136 HE ARG 19 HE ARG 19 16.168 1.485 10.867
137 HH11 ARG 19 HH11 ARG 19 18.483 3.388 9.096
138 HH12 ARG 19 HH12 ARG 19 19.845 2.804 9.994
139 HH21 ARG 19 HH21 ARG 19 17.953 0.709 12.056
140 HH22 ARG 19 HH22 ARG 19 19.543 1.280 11.677
141 H ASP 20 H ASP 20 18.834 7.170 9.208
142 HA ASP 20 HA ASP 20 18.879 6.845 12.074
143 HB2 ASP 20 HB2 ASP 20 20.992 7.500 10.025
144 HB3 ASP 20 HB3 ASP 20 21.330 7.496 11.754
145 H LYS 21 H LYS 21 18.902 9.476 9.774
146 HA LYS 21 HA LYS 21 19.670 11.505 11.627
147 HB2 LYS 21 HB2 LYS 21 18.476 11.502 8.873
148 HB3 LYS 21 HB3 LYS 21 18.579 12.999 9.791
149 HG2 LYS 21 HG2 LYS 21 20.958 11.240 9.262
150 HG3 LYS 21 HG3 LYS 21 20.465 12.551 8.187
151 HD2 LYS 21 HD2 LYS 21 20.649 14.123 10.095
152 HD3 LYS 21 HD3 LYS 21 21.253 12.796 11.090
153 HE2 LYS 21 HE2 LYS 21 23.236 13.701 10.408
154 HE3 LYS 21 HE3 LYS 21 22.969 12.550 9.099
155 HZ1 LYS 21 HZ1 LYS 21 23.431 15.201 8.793
156 HZ2 LYS 21 HZ2 LYS 21 21.750 15.107 8.629
157 HZ3 LYS 21 HZ3 LYS 21 22.751 14.186 7.623
158 H VAL 22 H VAL 22 16.534 10.868 10.040
159 HA VAL 22 HA VAL 22 14.982 12.617 11.506
160 HB VAL 22 HB VAL 22 14.079 9.899 10.549
161 HG11 VAL 22 HG11 VAL 22 12.717 12.275 11.622
162 HG12 VAL 22 HG12 VAL 22 11.996 11.581 10.168
163 HG13 VAL 22 HG13 VAL 22 12.214 10.585 11.608
164 HG21 VAL 22 HG21 VAL 22 14.513 10.590 8.482
165 HG22 VAL 22 HG22 VAL 22 13.331 11.878 8.710
166 HG23 VAL 22 HG23 VAL 22 15.032 12.170 9.069
167 H LYS 23 H LYS 23 16.253 9.510 12.427
168 HA LYS 23 HA LYS 23 16.224 8.341 14.378
169 HB2 LYS 23 HB2 LYS 23 15.729 11.147 15.310
170 HB3 LYS 23 HB3 LYS 23 15.681 9.820 16.462
171 HG2 LYS 23 HG2 LYS 23 18.034 9.952 14.678
172 HG3 LYS 23 HG3 LYS 23 17.896 11.194 15.925
173 HD2 LYS 23 HD2 LYS 23 19.134 9.446 16.908
174 HD3 LYS 23 HD3 LYS 23 17.502 9.293 17.564
175 HE2 LYS 23 HE2 LYS 23 18.145 7.788 15.087
176 HE3 LYS 23 HE3 LYS 23 18.850 7.215 16.597
177 HZ1 LYS 23 HZ1 LYS 23 16.276 6.780 15.654
178 HZ2 LYS 23 HZ2 LYS 23 16.122 7.804 16.991
179 HZ3 LYS 23 HZ3 LYS 23 16.918 6.320 17.150
180 H THR 24 H THR 24 14.031 7.860 12.941
181 HA THR 24 HA THR 24 11.995 7.476 15.000
182 HB THR 24 HB THR 24 11.351 8.652 12.288
183 HG1 THR 24 HG1 THR 24 10.851 10.499 13.436
184 HG21 THR 24 HG21 THR 24 9.619 7.704 14.561
185 HG22 THR 24 HG22 THR 24 9.563 7.216 12.867
186 HG23 THR 24 HG23 THR 24 9.042 8.833 13.337
187 H ASP 25 H ASP 25 11.461 5.402 15.030
188 HA ASP 25 HA ASP 25 12.311 3.548 13.087
189 HB2 ASP 25 HB2 ASP 25 12.012 2.661 15.235
190 HB3 ASP 25 HB3 ASP 25 10.423 3.397 15.420
191 H GLY 26 H GLY 26 11.215 2.439 11.484
192 HA2 GLY 26 HA2 GLY 26 9.435 1.904 10.074
193 HA3 GLY 26 HA3 GLY 26 8.419 3.024 10.969
194 H TYR 27 H TYR 27 11.015 4.827 10.446
195 HA TYR 27 HA TYR 27 9.816 6.409 8.448
196 HB2 TYR 27 HB2 TYR 27 11.480 7.163 10.207
197 HB3 TYR 27 HB3 TYR 27 12.739 6.455 9.202
198 HD1 TYR 27 HD1 TYR 27 10.234 9.140 9.434
199 HD2 TYR 27 HD2 TYR 27 13.462 7.529 7.178
200 HE1 TYR 27 HE1 TYR 27 10.360 11.225 8.137
201 HE2 TYR 27 HE2 TYR 27 13.598 9.611 5.875
202 HH TYR 27 HH TYR 27 11.686 11.568 5.329
203 H PHE 28 H PHE 28 12.678 4.294 8.319
204 HA PHE 28 HA PHE 28 13.342 4.630 5.657
205 HB2 PHE 28 HB2 PHE 28 14.818 3.410 7.094
206 HB3 PHE 28 HB3 PHE 28 13.584 2.200 7.433
207 HD1 PHE 28 HD1 PHE 28 13.023 0.500 5.785
208 HD2 PHE 28 HD2 PHE 28 16.090 3.361 5.060
209 HE1 PHE 28 HE1 PHE 28 13.867 -0.879 3.930
210 HE2 PHE 28 HE2 PHE 28 16.937 1.987 3.203
211 HZ PHE 28 HZ PHE 28 15.827 -0.136 2.637
212 H TYR 29 H TYR 29 11.053 2.326 7.083
213 HA TYR 29 HA TYR 29 10.334 1.180 4.560
214 HB2 TYR 29 HB2 TYR 29 10.161 -0.083 6.672
215 HB3 TYR 29 HB3 TYR 29 8.912 1.027 7.227
216 HD1 TYR 29 HD1 TYR 29 9.691 -1.716 4.920
217 HD2 TYR 29 HD2 TYR 29 6.662 0.910 6.345
218 HE1 TYR 29 HE1 TYR 29 7.977 -3.126 3.858
219 HE2 TYR 29 HE2 TYR 29 4.940 -0.493 5.288
220 HH TYR 29 HH TYR 29 4.537 -2.256 4.000
221 H GLU 30 H GLU 30 9.326 3.922 6.385
222 HA GLU 30 HA GLU 30 6.728 4.185 5.212
223 HB2 GLU 30 HB2 GLU 30 7.246 5.172 7.393
224 HB3 GLU 30 HB3 GLU 30 8.447 6.217 6.646
225 HG2 GLU 30 HG2 GLU 30 6.618 7.605 6.896
226 HG3 GLU 30 HG3 GLU 30 6.499 7.087 5.216
227 H CYS 31 H CYS 31 9.786 5.968 4.781
228 HA CYS 31 HA CYS 31 8.904 7.549 2.631
229 HB2 CYS 31 HB2 CYS 31 11.339 7.899 2.188
230 HB3 CYS 31 HB3 CYS 31 10.875 8.184 3.862
231 H CYS 32 H CYS 32 10.083 4.285 2.793
232 HA CYS 32 HA CYS 32 10.858 3.936 0.114
233 HB2 CYS 32 HB2 CYS 32 10.098 2.147 2.363
234 HB3 CYS 32 HB3 CYS 32 10.047 1.459 0.743
235 H THR 33 H THR 33 7.759 4.200 1.584
236 HA THR 33 HA THR 33 6.502 3.642 -1.016
237 HB THR 33 HB THR 33 4.661 2.500 -0.023
238 HG1 THR 33 HG1 THR 33 4.156 3.143 1.930
239 HG21 THR 33 HG21 THR 33 7.166 1.450 1.299
240 HG22 THR 33 HG22 THR 33 6.710 1.154 -0.379
241 HG23 THR 33 HG23 THR 33 5.705 0.534 0.931
242 H SER 34 H SER 34 7.300 6.087 0.619
243 HA SER 34 HA SER 34 4.703 7.443 0.388
244 HB2 SER 34 HB2 SER 34 6.679 7.749 2.661
245 HB3 SER 34 HB3 SER 34 5.292 8.806 2.398
246 HG SER 34 HG SER 34 3.965 7.256 3.031
247 H ASP 35 H ASP 35 5.034 8.663 -1.370
248 HA ASP 35 HA ASP 35 7.526 9.761 -2.132
249 HB2 ASP 35 HB2 ASP 35 5.588 9.303 -3.668
250 HB3 ASP 35 HB3 ASP 35 4.789 10.718 -2.987
251 H SER 36 H SER 36 4.869 10.963 -0.196
252 HA SER 36 HA SER 36 5.663 13.687 -0.170
253 HB2 SER 36 HB2 SER 36 3.380 12.939 0.423
254 HB3 SER 36 HB3 SER 36 4.022 12.170 1.874
255 HG SER 36 HG SER 36 3.508 14.822 1.363
256 H THR 37 H THR 37 6.052 11.084 2.232
257 HA THR 37 HA THR 37 7.516 12.498 4.119
258 HB THR 37 HB THR 37 7.768 9.567 3.415
259 HG1 THR 37 HG1 THR 37 6.306 10.632 5.586
260 HG21 THR 37 HG21 THR 37 9.117 11.230 5.381
261 HG22 THR 37 HG22 THR 37 9.453 9.570 4.887
262 HG23 THR 37 HG23 THR 37 8.239 9.894 6.125
263 H PHE 38 H PHE 38 8.493 11.230 1.045
264 HA PHE 38 HA PHE 38 11.291 11.175 1.511
265 HB2 PHE 38 HB2 PHE 38 9.946 10.072 -0.396
266 HB3 PHE 38 HB3 PHE 38 10.039 11.644 -1.185
267 HD1 PHE 38 HD1 PHE 38 12.256 9.143 0.469
268 HD2 PHE 38 HD2 PHE 38 11.795 12.047 -2.608
269 HE1 PHE 38 HE1 PHE 38 14.483 8.565 -0.405
270 HE2 PHE 38 HE2 PHE 38 14.020 11.473 -3.488
271 HZ PHE 38 HZ PHE 38 15.367 9.730 -2.387
272 H LYS 39 H LYS 39 9.040 13.665 0.543
273 HA LYS 39 HA LYS 39 10.736 15.563 -0.541
274 HB2 LYS 39 HB2 LYS 39 8.280 15.903 1.182
275 HB3 LYS 39 HB3 LYS 39 9.088 17.246 0.384
276 HG2 LYS 39 HG2 LYS 39 8.706 16.111 -1.790
277 HG3 LYS 39 HG3 LYS 39 7.770 14.883 -0.935
278 HD2 LYS 39 HD2 LYS 39 6.212 16.450 -1.805
279 HD3 LYS 39 HD3 LYS 39 6.319 16.752 -0.069
280 HE2 LYS 39 HE2 LYS 39 7.894 18.592 -0.513
281 HE3 LYS 39 HE3 LYS 39 7.720 18.305 -2.243
282 HZ1 LYS 39 HZ1 LYS 39 5.840 19.458 -2.285
283 HZ2 LYS 39 HZ2 LYS 39 6.184 19.971 -0.710
284 HZ3 LYS 39 HZ3 LYS 39 5.193 18.623 -0.962
285 H LYS 40 H LYS 40 9.791 15.233 2.881
286 HA LYS 40 HA LYS 40 11.418 17.268 3.887
287 HB2 LYS 40 HB2 LYS 40 10.193 14.806 5.073
288 HB3 LYS 40 HB3 LYS 40 11.323 15.757 6.029
289 HG2 LYS 40 HG2 LYS 40 9.261 16.612 6.635
290 HG3 LYS 40 HG3 LYS 40 9.825 17.757 5.415
291 HD2 LYS 40 HD2 LYS 40 8.499 16.502 3.720
292 HD3 LYS 40 HD3 LYS 40 7.849 15.510 5.028
293 HE2 LYS 40 HE2 LYS 40 7.097 17.688 6.098
294 HE3 LYS 40 HE3 LYS 40 7.474 18.457 4.557
295 HZ1 LYS 40 HZ1 LYS 40 5.107 17.307 5.209
296 HZ2 LYS 40 HZ2 LYS 40 5.851 16.106 4.279
297 HZ3 LYS 40 HZ3 LYS 40 5.627 17.654 3.637
298 H CYS 41 H CYS 41 12.061 13.768 3.706
299 HA CYS 41 HA CYS 41 14.617 13.774 4.787
300 HB2 CYS 41 HB2 CYS 41 13.510 11.687 4.417
301 HB3 CYS 41 HB3 CYS 41 13.370 11.997 2.689
302 H GLN 42 H GLN 42 13.581 14.355 1.459
303 HA GLN 42 HA GLN 42 16.073 14.397 0.220
304 HB2 GLN 42 HB2 GLN 42 13.442 15.695 -0.361
305 HB3 GLN 42 HB3 GLN 42 14.850 16.149 -1.312
306 HG2 GLN 42 HG2 GLN 42 15.156 13.642 -1.712
307 HG3 GLN 42 HG3 GLN 42 13.506 13.481 -1.112
308 HE21 GLN 42 HE21 GLN 42 11.812 14.173 -2.357
309 HE22 GLN 42 HE22 GLN 42 11.986 14.663 -4.004
310 H ASP 43 H ASP 43 14.395 16.887 2.050
311 HA ASP 43 HA ASP 43 16.203 18.991 1.409
312 HB2 ASP 43 HB2 ASP 43 13.809 19.188 2.315
313 HB3 ASP 43 HB3 ASP 43 14.511 18.867 3.899
314 H LEU 44 H LEU 44 15.922 16.730 4.118
315 HA LEU 44 HA LEU 44 17.872 17.771 5.792
316 HB2 LEU 44 HB2 LEU 44 17.324 14.844 5.334
317 HB3 LEU 44 HB3 LEU 44 18.028 15.577 6.774
318 HG LEU 44 HG LEU 44 15.179 15.820 5.815
319 HD11 LEU 44 HD11 LEU 44 16.526 13.986 7.530
320 HD12 LEU 44 HD12 LEU 44 14.818 14.051 7.097
321 HD13 LEU 44 HD13 LEU 44 15.409 14.955 8.491
322 HD21 LEU 44 HD21 LEU 44 16.665 17.255 7.997
323 HD22 LEU 44 HD22 LEU 44 14.913 17.054 8.024
324 HD23 LEU 44 HD23 LEU 44 15.680 17.938 6.704
325 H LEU 45 H LEU 45 18.259 15.291 3.262
326 HA LEU 45 HA LEU 45 21.091 15.160 3.545
327 HB2 LEU 45 HB2 LEU 45 19.399 14.305 1.203
328 HB3 LEU 45 HB3 LEU 45 21.045 13.786 1.557
329 HG LEU 45 HG LEU 45 18.751 13.200 3.410
330 HD11 LEU 45 HD11 LEU 45 19.522 11.875 0.870
331 HD12 LEU 45 HD12 LEU 45 17.938 12.046 1.625
332 HD13 LEU 45 HD13 LEU 45 19.082 10.851 2.237
333 HD21 LEU 45 HD21 LEU 45 21.381 13.004 3.862
334 HD22 LEU 45 HD22 LEU 45 21.105 11.438 3.099
335 HD23 LEU 45 HD23 LEU 45 20.202 11.886 4.547
336 H HIS 46 H HIS 46 18.917 17.161 1.741
337 HA HIS 46 HA HIS 46 20.927 18.108 -0.103
338 HB2 HIS 46 HB2 HIS 46 18.566 17.985 -0.781
339 HB3 HIS 46 HB3 HIS 46 18.145 19.155 0.466
340 HD1 HIS 46 HD1 HIS 46 19.108 21.617 0.110
341 HD2 HIS 46 HD2 HIS 46 19.411 19.065 -3.154
342 HE1 HIS 46 HE1 HIS 46 19.555 23.105 -1.867
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 0.929 -1.014 1.135
2 HA ALA 1 HA ALA 1 1.361 0.149 -1.470
3 HB1 ALA 1 HB1 ALA 1 1.475 1.403 0.724
4 HB2 ALA 1 HB2 ALA 1 3.027 0.609 0.990
5 HB3 ALA 1 HB3 ALA 1 2.808 1.675 -0.398
6 H ASP 2 H ASP 2 3.257 0.039 -2.693
7 HA ASP 2 HA ASP 2 4.740 -2.448 -2.354
8 HB2 ASP 2 HB2 ASP 2 4.425 -0.497 -4.623
9 HB3 ASP 2 HB3 ASP 2 5.688 -1.725 -4.646
10 H ASN 3 H ASN 3 7.017 -2.554 -2.352
11 HA ASN 3 HA ASN 3 8.268 -0.397 -0.927
12 HB2 ASN 3 HB2 ASN 3 9.004 -3.170 -1.708
13 HB3 ASN 3 HB3 ASN 3 10.326 -2.047 -1.404
14 HD21 ASN 3 HD21 ASN 3 10.647 -3.748 0.303
15 HD22 ASN 3 HD22 ASN 3 9.886 -3.472 1.830
16 H LYS 4 H LYS 4 8.481 1.373 -2.238
17 HA LYS 4 HA LYS 4 9.289 1.360 -4.920
18 HB2 LYS 4 HB2 LYS 4 9.705 3.552 -2.879
19 HB3 LYS 4 HB3 LYS 4 9.725 3.745 -4.627
20 HG2 LYS 4 HG2 LYS 4 7.295 2.609 -3.338
21 HG3 LYS 4 HG3 LYS 4 7.598 4.344 -3.223
22 HD2 LYS 4 HD2 LYS 4 7.588 2.818 -5.822
23 HD3 LYS 4 HD3 LYS 4 6.170 3.637 -5.164
24 HE2 LYS 4 HE2 LYS 4 6.877 5.452 -6.250
25 HE3 LYS 4 HE3 LYS 4 8.150 5.559 -5.035
26 HZ1 LYS 4 HZ1 LYS 4 8.639 5.426 -7.630
27 HZ2 LYS 4 HZ2 LYS 4 8.646 3.772 -7.278
28 HZ3 LYS 4 HZ3 LYS 4 9.705 4.813 -6.468
29 H CYS 5 H CYS 5 11.100 1.072 -1.987
30 HA CYS 5 HA CYS 5 13.636 1.787 -3.134
31 HB2 CYS 5 HB2 CYS 5 12.867 0.450 -0.536
32 HB3 CYS 5 HB3 CYS 5 14.534 0.797 -0.985
33 H GLU 6 H GLU 6 11.778 -1.134 -2.716
34 HA GLU 6 HA GLU 6 13.783 -3.051 -3.027
35 HB2 GLU 6 HB2 GLU 6 11.602 -3.749 -2.348
36 HB3 GLU 6 HB3 GLU 6 10.867 -3.078 -3.797
37 HG2 GLU 6 HG2 GLU 6 10.965 -5.475 -3.963
38 HG3 GLU 6 HG3 GLU 6 12.046 -4.750 -5.152
39 H ASN 7 H ASN 7 12.182 -1.016 -5.362
40 HA ASN 7 HA ASN 7 13.454 -2.442 -7.580
41 HB2 ASN 7 HB2 ASN 7 11.992 -1.242 -9.040
42 HB3 ASN 7 HB3 ASN 7 11.016 -1.788 -7.680
43 HD21 ASN 7 HD21 ASN 7 12.615 0.962 -9.132
44 HD22 ASN 7 HD22 ASN 7 11.688 2.173 -8.320
45 H SER 8 H SER 8 13.649 0.484 -5.738
46 HA SER 8 HA SER 8 15.712 1.512 -7.573
47 HB2 SER 8 HB2 SER 8 13.838 2.931 -5.684
48 HB3 SER 8 HB3 SER 8 15.279 3.715 -6.331
49 HG SER 8 HG SER 8 14.070 4.139 -7.989
50 H LEU 9 H LEU 9 17.684 1.026 -6.885
51 HA LEU 9 HA LEU 9 18.303 0.327 -4.209
52 HB2 LEU 9 HB2 LEU 9 20.516 0.039 -4.938
53 HB3 LEU 9 HB3 LEU 9 19.500 -0.419 -6.303
54 HG LEU 9 HG LEU 9 19.955 2.118 -6.981
55 HD11 LEU 9 HD11 LEU 9 22.210 1.350 -5.160
56 HD12 LEU 9 HD12 LEU 9 21.287 2.851 -5.213
57 HD13 LEU 9 HD13 LEU 9 22.444 2.483 -6.492
58 HD21 LEU 9 HD21 LEU 9 22.117 0.101 -7.471
59 HD22 LEU 9 HD22 LEU 9 21.453 1.310 -8.570
60 HD23 LEU 9 HD23 LEU 9 20.501 -0.113 -8.143
61 H ARG 10 H ARG 10 18.596 3.291 -6.075
62 HA ARG 10 HA ARG 10 20.193 4.712 -4.219
63 HB2 ARG 10 HB2 ARG 10 18.546 5.394 -6.593
64 HB3 ARG 10 HB3 ARG 10 18.899 6.702 -5.472
65 HG2 ARG 10 HG2 ARG 10 21.256 6.393 -5.754
66 HG3 ARG 10 HG3 ARG 10 20.994 4.937 -6.717
67 HD2 ARG 10 HD2 ARG 10 19.837 7.570 -7.558
68 HD3 ARG 10 HD3 ARG 10 21.512 7.160 -7.926
69 HE ARG 10 HE ARG 10 19.666 5.116 -8.711
70 HH11 ARG 10 HH11 ARG 10 21.110 8.143 -9.645
71 HH12 ARG 10 HH12 ARG 10 20.887 7.876 -11.342
72 HH21 ARG 10 HH21 ARG 10 19.366 4.753 -10.943
73 HH22 ARG 10 HH22 ARG 10 19.893 5.948 -12.079
74 H ARG 11 H ARG 11 16.739 4.205 -4.539
75 HA ARG 11 HA ARG 11 15.893 6.217 -2.746
76 HB2 ARG 11 HB2 ARG 11 14.501 4.849 -4.427
77 HB3 ARG 11 HB3 ARG 11 14.438 3.618 -3.173
78 HG2 ARG 11 HG2 ARG 11 12.471 4.800 -2.868
79 HG3 ARG 11 HG3 ARG 11 13.553 5.499 -1.662
80 HD2 ARG 11 HD2 ARG 11 12.666 7.399 -2.596
81 HD3 ARG 11 HD3 ARG 11 14.108 7.186 -3.587
82 HE ARG 11 HE ARG 11 11.964 5.838 -4.795
83 HH11 ARG 11 HH11 ARG 11 13.050 9.074 -4.112
84 HH12 ARG 11 HH12 ARG 11 12.246 9.772 -5.479
85 HH21 ARG 11 HH21 ARG 11 10.901 6.745 -6.598
86 HH22 ARG 11 HH22 ARG 11 11.023 8.447 -6.891
87 H GLU 12 H GLU 12 16.969 2.908 -2.296
88 HA GLU 12 HA GLU 12 16.156 2.682 0.421
89 HB2 GLU 12 HB2 GLU 12 16.522 0.667 -0.807
90 HB3 GLU 12 HB3 GLU 12 18.153 1.156 -1.246
91 HG2 GLU 12 HG2 GLU 12 18.999 0.700 0.856
92 HG3 GLU 12 HG3 GLU 12 17.417 0.800 1.626
93 H ILE 13 H ILE 13 19.325 3.272 -1.094
94 HA ILE 13 HA ILE 13 20.819 3.578 1.229
95 HB ILE 13 HB ILE 13 21.209 5.019 -1.398
96 HG12 ILE 13 HG12 ILE 13 22.589 2.509 -0.453
97 HG13 ILE 13 HG13 ILE 13 21.106 2.463 -1.401
98 HG21 ILE 13 HG21 ILE 13 22.632 5.139 1.105
99 HG22 ILE 13 HG22 ILE 13 23.672 4.535 -0.184
100 HG23 ILE 13 HG23 ILE 13 22.859 6.090 -0.363
101 HD11 ILE 13 HD11 ILE 13 22.701 2.240 -3.027
102 HD12 ILE 13 HD12 ILE 13 22.453 3.987 -3.034
103 HD13 ILE 13 HD13 ILE 13 23.847 3.297 -2.202
104 H ALA 14 H ALA 14 18.772 5.878 -0.465
105 HA ALA 14 HA ALA 14 19.596 8.173 0.996
106 HB1 ALA 14 HB1 ALA 14 17.194 8.931 0.159
107 HB2 ALA 14 HB2 ALA 14 18.578 8.826 -0.930
108 HB3 ALA 14 HB3 ALA 14 17.394 7.520 -0.880
109 H CYS 15 H CYS 15 16.801 5.992 1.285
110 HA CYS 15 HA CYS 15 15.642 7.295 3.505
111 HB2 CYS 15 HB2 CYS 15 15.319 4.647 2.179
112 HB3 CYS 15 HB3 CYS 15 14.673 4.829 3.806
113 H GLY 16 H GLY 16 17.976 4.660 3.228
114 HA2 GLY 16 HA2 GLY 16 18.048 3.763 5.845
115 HA3 GLY 16 HA3 GLY 16 19.436 3.779 4.767
116 H GLN 17 H GLN 17 19.761 6.530 4.436
117 HA GLN 17 HA GLN 17 21.229 7.170 6.767
118 HB2 GLN 17 HB2 GLN 17 20.432 8.844 4.384
119 HB3 GLN 17 HB3 GLN 17 21.507 9.410 5.655
120 HG2 GLN 17 HG2 GLN 17 23.045 7.555 5.137
121 HG3 GLN 17 HG3 GLN 17 21.985 7.080 3.812
122 HE21 GLN 17 HE21 GLN 17 23.514 7.418 2.234
123 HE22 GLN 17 HE22 GLN 17 24.061 8.993 1.779
124 H CYS 18 H CYS 18 18.315 8.681 5.371
125 HA CYS 18 HA CYS 18 17.834 10.496 7.427
126 HB2 CYS 18 HB2 CYS 18 16.206 9.264 5.271
127 HB3 CYS 18 HB3 CYS 18 15.325 10.025 6.593
128 H ARG 19 H ARG 19 17.096 7.089 7.184
129 HA ARG 19 HA ARG 19 15.191 6.853 9.208
130 HB2 ARG 19 HB2 ARG 19 15.621 4.994 7.757
131 HB3 ARG 19 HB3 ARG 19 17.307 4.926 8.252
132 HG2 ARG 19 HG2 ARG 19 16.596 4.280 10.515
133 HG3 ARG 19 HG3 ARG 19 14.918 4.292 9.970
134 HD2 ARG 19 HD2 ARG 19 15.133 2.347 8.835
135 HD3 ARG 19 HD3 ARG 19 16.795 2.688 8.356
136 HE ARG 19 HE ARG 19 17.516 1.522 10.183
137 HH11 ARG 19 HH11 ARG 19 14.163 2.351 10.624
138 HH12 ARG 19 HH12 ARG 19 13.986 1.412 12.069
139 HH21 ARG 19 HH21 ARG 19 17.295 0.282 12.084
140 HH22 ARG 19 HH22 ARG 19 15.768 0.236 12.899
141 H ASP 20 H ASP 20 18.702 7.016 9.364
142 HA ASP 20 HA ASP 20 18.772 6.491 12.202
143 HB2 ASP 20 HB2 ASP 20 20.599 5.908 10.486
144 HB3 ASP 20 HB3 ASP 20 21.043 7.611 10.572
145 H LYS 21 H LYS 21 19.579 9.288 10.142
146 HA LYS 21 HA LYS 21 20.069 11.128 12.159
147 HB2 LYS 21 HB2 LYS 21 19.112 11.377 9.331
148 HB3 LYS 21 HB3 LYS 21 19.175 12.805 10.355
149 HG2 LYS 21 HG2 LYS 21 21.563 11.029 10.056
150 HG3 LYS 21 HG3 LYS 21 21.189 12.266 8.854
151 HD2 LYS 21 HD2 LYS 21 21.122 13.929 10.736
152 HD3 LYS 21 HD3 LYS 21 21.751 12.659 11.789
153 HE2 LYS 21 HE2 LYS 21 23.737 12.465 10.412
154 HE3 LYS 21 HE3 LYS 21 23.098 13.655 9.280
155 HZ1 LYS 21 HZ1 LYS 21 23.189 15.322 11.006
156 HZ2 LYS 21 HZ2 LYS 21 24.714 14.618 10.813
157 HZ3 LYS 21 HZ3 LYS 21 23.744 14.186 12.130
158 H VAL 22 H VAL 22 17.016 10.717 10.354
159 HA VAL 22 HA VAL 22 15.474 12.481 11.852
160 HB VAL 22 HB VAL 22 14.566 9.953 10.468
161 HG11 VAL 22 HG11 VAL 22 13.133 12.051 11.935
162 HG12 VAL 22 HG12 VAL 22 12.478 11.687 10.337
163 HG13 VAL 22 HG13 VAL 22 12.643 10.405 11.537
164 HG21 VAL 22 HG21 VAL 22 15.811 11.728 9.122
165 HG22 VAL 22 HG22 VAL 22 14.224 11.235 8.531
166 HG23 VAL 22 HG23 VAL 22 14.406 12.757 9.403
167 H LYS 23 H LYS 23 16.579 9.295 12.608
168 HA LYS 23 HA LYS 23 16.261 7.906 14.386
169 HB2 LYS 23 HB2 LYS 23 15.900 10.629 15.615
170 HB3 LYS 23 HB3 LYS 23 15.808 9.167 16.588
171 HG2 LYS 23 HG2 LYS 23 18.111 8.626 15.503
172 HG3 LYS 23 HG3 LYS 23 18.151 10.361 15.182
173 HD2 LYS 23 HD2 LYS 23 17.909 10.850 17.529
174 HD3 LYS 23 HD3 LYS 23 17.683 9.139 17.901
175 HE2 LYS 23 HE2 LYS 23 20.178 10.245 16.627
176 HE3 LYS 23 HE3 LYS 23 19.979 10.070 18.370
177 HZ1 LYS 23 HZ1 LYS 23 19.615 7.793 16.516
178 HZ2 LYS 23 HZ2 LYS 23 19.864 7.753 18.188
179 HZ3 LYS 23 HZ3 LYS 23 21.130 8.193 17.155
180 H THR 24 H THR 24 14.143 7.693 12.841
181 HA THR 24 HA THR 24 11.904 7.558 14.738
182 HB THR 24 HB THR 24 11.687 8.499 11.872
183 HG1 THR 24 HG1 THR 24 10.726 10.355 13.151
184 HG21 THR 24 HG21 THR 24 9.570 7.942 13.951
185 HG22 THR 24 HG22 THR 24 9.771 7.146 12.390
186 HG23 THR 24 HG23 THR 24 9.281 8.838 12.460
187 H ASP 25 H ASP 25 11.377 5.495 14.972
188 HA ASP 25 HA ASP 25 12.204 3.435 13.239
189 HB2 ASP 25 HB2 ASP 25 11.300 3.489 15.781
190 HB3 ASP 25 HB3 ASP 25 9.845 2.931 14.959
191 H GLY 26 H GLY 26 11.246 2.431 11.551
192 HA2 GLY 26 HA2 GLY 26 9.528 1.803 10.099
193 HA3 GLY 26 HA3 GLY 26 8.430 2.853 10.982
194 H TYR 27 H TYR 27 10.912 4.820 10.544
195 HA TYR 27 HA TYR 27 9.682 6.385 8.577
196 HB2 TYR 27 HB2 TYR 27 11.339 7.172 10.303
197 HB3 TYR 27 HB3 TYR 27 12.611 6.460 9.316
198 HD1 TYR 27 HD1 TYR 27 10.100 9.141 9.507
199 HD2 TYR 27 HD2 TYR 27 13.340 7.512 7.280
200 HE1 TYR 27 HE1 TYR 27 10.231 11.215 8.192
201 HE2 TYR 27 HE2 TYR 27 13.480 9.583 5.960
202 HH TYR 27 HH TYR 27 11.281 12.307 6.574
203 H PHE 28 H PHE 28 12.525 4.260 8.356
204 HA PHE 28 HA PHE 28 13.187 4.679 5.705
205 HB2 PHE 28 HB2 PHE 28 14.640 3.381 7.103
206 HB3 PHE 28 HB3 PHE 28 13.386 2.177 7.384
207 HD1 PHE 28 HD1 PHE 28 15.862 3.448 5.016
208 HD2 PHE 28 HD2 PHE 28 12.864 0.510 5.720
209 HE1 PHE 28 HE1 PHE 28 16.697 2.142 3.104
210 HE2 PHE 28 HE2 PHE 28 13.694 -0.800 3.811
211 HZ PHE 28 HZ PHE 28 15.613 0.015 2.500
212 H TYR 29 H TYR 29 10.860 2.369 7.058
213 HA TYR 29 HA TYR 29 10.113 1.322 4.501
214 HB2 TYR 29 HB2 TYR 29 9.918 0.231 6.865
215 HB3 TYR 29 HB3 TYR 29 8.386 1.095 6.944
216 HD1 TYR 29 HD1 TYR 29 6.580 0.557 5.336
217 HD2 TYR 29 HD2 TYR 29 10.178 -1.708 5.493
218 HE1 TYR 29 HE1 TYR 29 5.490 -1.252 4.075
219 HE2 TYR 29 HE2 TYR 29 9.099 -3.522 4.231
220 HH TYR 29 HH TYR 29 7.245 -3.879 2.741
221 H GLU 30 H GLU 30 9.126 3.998 6.452
222 HA GLU 30 HA GLU 30 6.546 4.358 5.282
223 HB2 GLU 30 HB2 GLU 30 7.218 5.257 7.513
224 HB3 GLU 30 HB3 GLU 30 8.268 6.404 6.692
225 HG2 GLU 30 HG2 GLU 30 6.415 7.688 7.045
226 HG3 GLU 30 HG3 GLU 30 6.078 7.061 5.433
227 H CYS 31 H CYS 31 9.716 5.885 4.786
228 HA CYS 31 HA CYS 31 8.797 7.575 2.673
229 HB2 CYS 31 HB2 CYS 31 11.207 8.047 2.325
230 HB3 CYS 31 HB3 CYS 31 10.713 8.240 4.004
231 H CYS 32 H CYS 32 10.077 4.353 2.880
232 HA CYS 32 HA CYS 32 10.791 4.116 0.120
233 HB2 CYS 32 HB2 CYS 32 10.540 2.237 2.431
234 HB3 CYS 32 HB3 CYS 32 10.599 1.570 0.803
235 H THR 33 H THR 33 7.873 3.789 1.938
236 HA THR 33 HA THR 33 6.520 2.479 -0.313
237 HB THR 33 HB THR 33 4.597 2.250 1.278
238 HG1 THR 33 HG1 THR 33 4.908 2.774 3.417
239 HG21 THR 33 HG21 THR 33 5.575 0.233 1.372
240 HG22 THR 33 HG22 THR 33 6.237 0.770 2.916
241 HG23 THR 33 HG23 THR 33 7.194 0.926 1.444
242 H SER 34 H SER 34 6.797 5.487 1.362
243 HA SER 34 HA SER 34 4.626 6.595 -0.297
244 HB2 SER 34 HB2 SER 34 4.414 6.544 2.324
245 HB3 SER 34 HB3 SER 34 5.497 7.933 2.240
246 HG SER 34 HG SER 34 2.886 7.893 1.863
247 H ASP 35 H ASP 35 5.358 7.866 -1.851
248 HA ASP 35 HA ASP 35 8.030 8.778 -2.003
249 HB2 ASP 35 HB2 ASP 35 7.359 9.910 -4.027
250 HB3 ASP 35 HB3 ASP 35 6.561 8.340 -3.972
251 H SER 36 H SER 36 5.027 10.297 -0.977
252 HA SER 36 HA SER 36 5.836 12.955 -0.888
253 HB2 SER 36 HB2 SER 36 4.100 11.906 1.305
254 HB3 SER 36 HB3 SER 36 3.914 13.358 0.323
255 HG SER 36 HG SER 36 2.568 11.250 -0.018
256 H THR 37 H THR 37 6.001 10.508 1.694
257 HA THR 37 HA THR 37 7.169 12.072 3.667
258 HB THR 37 HB THR 37 7.630 9.126 3.154
259 HG1 THR 37 HG1 THR 37 5.409 9.789 3.466
260 HG21 THR 37 HG21 THR 37 9.185 9.430 4.768
261 HG22 THR 37 HG22 THR 37 7.781 9.440 5.836
262 HG23 THR 37 HG23 THR 37 8.489 10.962 5.296
263 H PHE 38 H PHE 38 8.564 10.707 0.803
264 HA PHE 38 HA PHE 38 11.285 10.815 1.614
265 HB2 PHE 38 HB2 PHE 38 10.251 9.521 -0.359
266 HB3 PHE 38 HB3 PHE 38 10.348 11.044 -1.238
267 HD1 PHE 38 HD1 PHE 38 12.496 8.808 0.835
268 HD2 PHE 38 HD2 PHE 38 12.229 11.460 -2.483
269 HE1 PHE 38 HE1 PHE 38 14.839 8.322 0.263
270 HE2 PHE 38 HE2 PHE 38 14.572 10.978 -3.061
271 HZ PHE 38 HZ PHE 38 15.880 9.408 -1.687
272 H LYS 39 H LYS 39 9.064 13.118 0.212
273 HA LYS 39 HA LYS 39 10.776 15.033 -0.797
274 HB2 LYS 39 HB2 LYS 39 8.152 15.371 0.659
275 HB3 LYS 39 HB3 LYS 39 8.976 16.685 -0.169
276 HG2 LYS 39 HG2 LYS 39 8.906 15.106 -2.221
277 HG3 LYS 39 HG3 LYS 39 7.643 14.271 -1.315
278 HD2 LYS 39 HD2 LYS 39 7.542 17.240 -1.724
279 HD3 LYS 39 HD3 LYS 39 6.960 16.132 -2.969
280 HE2 LYS 39 HE2 LYS 39 5.195 15.415 -1.697
281 HE3 LYS 39 HE3 LYS 39 6.023 15.733 -0.174
282 HZ1 LYS 39 HZ1 LYS 39 5.791 18.185 -0.895
283 HZ2 LYS 39 HZ2 LYS 39 4.446 17.390 -0.247
284 HZ3 LYS 39 HZ3 LYS 39 4.574 17.609 -1.920
285 H LYS 40 H LYS 40 9.504 14.857 2.529
286 HA LYS 40 HA LYS 40 10.879 17.026 3.584
287 HB2 LYS 40 HB2 LYS 40 9.656 14.562 4.703
288 HB3 LYS 40 HB3 LYS 40 10.776 15.435 5.741
289 HG2 LYS 40 HG2 LYS 40 8.473 16.120 6.132
290 HG3 LYS 40 HG3 LYS 40 9.443 17.456 5.509
291 HD2 LYS 40 HD2 LYS 40 8.014 15.794 3.517
292 HD3 LYS 40 HD3 LYS 40 7.026 16.838 4.542
293 HE2 LYS 40 HE2 LYS 40 8.892 18.605 3.872
294 HE3 LYS 40 HE3 LYS 40 9.036 17.544 2.472
295 HZ1 LYS 40 HZ1 LYS 40 6.581 18.930 3.400
296 HZ2 LYS 40 HZ2 LYS 40 6.620 17.804 2.139
297 HZ3 LYS 40 HZ3 LYS 40 7.463 19.263 1.996
298 H CYS 41 H CYS 41 11.855 13.604 3.517
299 HA CYS 41 HA CYS 41 14.309 13.894 4.816
300 HB2 CYS 41 HB2 CYS 41 13.400 11.701 4.478
301 HB3 CYS 41 HB3 CYS 41 13.398 11.909 2.730
302 H GLN 42 H GLN 42 13.505 14.110 1.371
303 HA GLN 42 HA GLN 42 16.039 14.338 0.298
304 HB2 GLN 42 HB2 GLN 42 13.393 15.510 -0.506
305 HB3 GLN 42 HB3 GLN 42 14.849 15.866 -1.426
306 HG2 GLN 42 HG2 GLN 42 13.897 13.074 -0.856
307 HG3 GLN 42 HG3 GLN 42 13.444 13.984 -2.296
308 HE21 GLN 42 HE21 GLN 42 14.850 14.141 -3.957
309 HE22 GLN 42 HE22 GLN 42 16.410 13.399 -3.985
310 H ASP 43 H ASP 43 14.104 16.757 1.948
311 HA ASP 43 HA ASP 43 15.771 18.973 1.300
312 HB2 ASP 43 HB2 ASP 43 13.483 19.373 1.951
313 HB3 ASP 43 HB3 ASP 43 13.734 18.566 3.496
314 H LEU 44 H LEU 44 15.591 16.742 4.033
315 HA LEU 44 HA LEU 44 17.400 18.010 5.739
316 HB2 LEU 44 HB2 LEU 44 16.927 15.053 5.390
317 HB3 LEU 44 HB3 LEU 44 17.705 15.814 6.775
318 HG LEU 44 HG LEU 44 14.812 16.051 5.960
319 HD11 LEU 44 HD11 LEU 44 14.304 14.755 7.812
320 HD12 LEU 44 HD12 LEU 44 15.871 15.040 8.569
321 HD13 LEU 44 HD13 LEU 44 15.749 13.972 7.171
322 HD21 LEU 44 HD21 LEU 44 16.310 17.413 8.195
323 HD22 LEU 44 HD22 LEU 44 14.557 17.409 7.998
324 HD23 LEU 44 HD23 LEU 44 15.579 18.192 6.792
325 H LEU 45 H LEU 45 18.005 15.434 3.353
326 HA LEU 45 HA LEU 45 20.806 15.383 3.728
327 HB2 LEU 45 HB2 LEU 45 19.354 14.614 1.210
328 HB3 LEU 45 HB3 LEU 45 20.898 14.001 1.799
329 HG LEU 45 HG LEU 45 18.162 13.427 2.931
330 HD11 LEU 45 HD11 LEU 45 18.221 11.487 1.824
331 HD12 LEU 45 HD12 LEU 45 19.932 11.233 2.169
332 HD13 LEU 45 HD13 LEU 45 19.448 12.260 0.820
333 HD21 LEU 45 HD21 LEU 45 20.732 13.401 4.210
334 HD22 LEU 45 HD22 LEU 45 20.091 11.762 4.099
335 HD23 LEU 45 HD23 LEU 45 19.144 13.029 4.881
336 H HIS 46 H HIS 46 18.705 17.405 1.856
337 HA HIS 46 HA HIS 46 20.604 18.375 -0.005
338 HB2 HIS 46 HB2 HIS 46 18.074 18.592 -0.136
339 HB3 HIS 46 HB3 HIS 46 18.217 19.906 1.028
340 HD1 HIS 46 HD1 HIS 46 18.568 19.117 -2.550
341 HD2 HIS 46 HD2 HIS 46 19.603 22.213 0.020
342 HE1 HIS 46 HE1 HIS 46 19.131 21.065 -4.037
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 2.510 -3.229 2.941
2 HA ALA 1 HA ALA 1 1.352 -1.274 1.111
3 HB1 ALA 1 HB1 ALA 1 2.363 -0.035 3.048
4 HB2 ALA 1 HB2 ALA 1 3.930 -0.668 2.541
5 HB3 ALA 1 HB3 ALA 1 3.013 0.385 1.463
6 H ASP 2 H ASP 2 3.280 -0.576 -0.467
7 HA ASP 2 HA ASP 2 4.601 -3.080 -1.287
8 HB2 ASP 2 HB2 ASP 2 3.454 -0.843 -2.962
9 HB3 ASP 2 HB3 ASP 2 4.500 -2.100 -3.617
10 H ASN 3 H ASN 3 6.740 -3.058 -1.193
11 HA ASN 3 HA ASN 3 8.180 -0.636 -0.664
12 HB2 ASN 3 HB2 ASN 3 8.828 -3.534 -0.809
13 HB3 ASN 3 HB3 ASN 3 10.155 -2.404 -1.060
14 HD21 ASN 3 HD21 ASN 3 10.340 -4.021 1.037
15 HD22 ASN 3 HD22 ASN 3 10.055 -3.172 2.514
16 H LYS 4 H LYS 4 8.927 0.734 -2.128
17 HA LYS 4 HA LYS 4 9.190 -0.157 -4.909
18 HB2 LYS 4 HB2 LYS 4 9.272 2.680 -3.884
19 HB3 LYS 4 HB3 LYS 4 9.035 2.145 -5.542
20 HG2 LYS 4 HG2 LYS 4 7.108 1.621 -3.290
21 HG3 LYS 4 HG3 LYS 4 6.968 2.944 -4.450
22 HD2 LYS 4 HD2 LYS 4 7.198 0.105 -5.381
23 HD3 LYS 4 HD3 LYS 4 5.642 0.765 -4.873
24 HE2 LYS 4 HE2 LYS 4 6.066 2.654 -6.502
25 HE3 LYS 4 HE3 LYS 4 7.413 1.700 -7.120
26 HZ1 LYS 4 HZ1 LYS 4 5.812 -0.106 -7.564
27 HZ2 LYS 4 HZ2 LYS 4 5.490 1.294 -8.457
28 HZ3 LYS 4 HZ3 LYS 4 4.549 0.920 -7.102
29 H CYS 5 H CYS 5 10.983 1.336 -2.277
30 HA CYS 5 HA CYS 5 13.308 2.036 -3.655
31 HB2 CYS 5 HB2 CYS 5 14.431 1.833 -1.423
32 HB3 CYS 5 HB3 CYS 5 12.969 2.815 -1.407
33 H GLU 6 H GLU 6 12.092 -1.053 -2.726
34 HA GLU 6 HA GLU 6 14.370 -2.597 -2.506
35 HB2 GLU 6 HB2 GLU 6 13.026 -4.477 -2.979
36 HB3 GLU 6 HB3 GLU 6 11.941 -3.311 -2.234
37 HG2 GLU 6 HG2 GLU 6 10.639 -3.961 -3.968
38 HG3 GLU 6 HG3 GLU 6 11.507 -2.642 -4.751
39 H ASN 7 H ASN 7 12.891 -1.237 -5.365
40 HA ASN 7 HA ASN 7 14.752 -2.676 -7.102
41 HB2 ASN 7 HB2 ASN 7 12.595 -2.715 -8.027
42 HB3 ASN 7 HB3 ASN 7 12.282 -1.035 -7.602
43 HD21 ASN 7 HD21 ASN 7 13.465 -3.188 -9.955
44 HD22 ASN 7 HD22 ASN 7 13.929 -2.014 -11.135
45 H SER 8 H SER 8 14.093 0.499 -5.826
46 HA SER 8 HA SER 8 16.083 1.736 -7.563
47 HB2 SER 8 HB2 SER 8 13.994 2.754 -5.680
48 HB3 SER 8 HB3 SER 8 15.376 3.786 -6.050
49 HG SER 8 HG SER 8 14.485 4.198 -7.896
50 H LEU 9 H LEU 9 18.136 1.481 -6.983
51 HA LEU 9 HA LEU 9 19.022 0.808 -4.402
52 HB2 LEU 9 HB2 LEU 9 21.210 1.002 -5.240
53 HB3 LEU 9 HB3 LEU 9 20.223 0.438 -6.587
54 HG LEU 9 HG LEU 9 20.154 3.066 -7.083
55 HD11 LEU 9 HD11 LEU 9 21.994 2.932 -5.002
56 HD12 LEU 9 HD12 LEU 9 21.725 4.287 -6.097
57 HD13 LEU 9 HD13 LEU 9 22.971 3.094 -6.461
58 HD21 LEU 9 HD21 LEU 9 22.484 2.423 -8.321
59 HD22 LEU 9 HD22 LEU 9 20.881 1.963 -8.897
60 HD23 LEU 9 HD23 LEU 9 21.838 0.825 -7.947
61 H ARG 10 H ARG 10 18.671 3.896 -6.045
62 HA ARG 10 HA ARG 10 20.056 5.439 -4.100
63 HB2 ARG 10 HB2 ARG 10 18.341 5.983 -6.454
64 HB3 ARG 10 HB3 ARG 10 18.422 7.254 -5.241
65 HG2 ARG 10 HG2 ARG 10 20.984 6.933 -5.432
66 HG3 ARG 10 HG3 ARG 10 20.595 6.144 -6.961
67 HD2 ARG 10 HD2 ARG 10 19.677 8.091 -7.868
68 HD3 ARG 10 HD3 ARG 10 19.491 8.848 -6.286
69 HE ARG 10 HE ARG 10 22.206 8.440 -6.670
70 HH11 ARG 10 HH11 ARG 10 19.630 10.251 -8.155
71 HH12 ARG 10 HH12 ARG 10 20.668 11.519 -8.715
72 HH21 ARG 10 HH21 ARG 10 23.584 10.104 -7.403
73 HH22 ARG 10 HH22 ARG 10 22.917 11.434 -8.288
74 H ARG 11 H ARG 11 16.625 4.727 -4.658
75 HA ARG 11 HA ARG 11 15.594 6.332 -2.598
76 HB2 ARG 11 HB2 ARG 11 14.272 5.295 -4.458
77 HB3 ARG 11 HB3 ARG 11 14.419 3.749 -3.633
78 HG2 ARG 11 HG2 ARG 11 12.363 4.428 -2.908
79 HG3 ARG 11 HG3 ARG 11 13.388 5.069 -1.622
80 HD2 ARG 11 HD2 ARG 11 12.051 6.884 -2.114
81 HD3 ARG 11 HD3 ARG 11 13.471 7.197 -3.111
82 HE ARG 11 HE ARG 11 11.712 5.759 -4.685
83 HH11 ARG 11 HH11 ARG 11 11.746 8.815 -3.018
84 HH12 ARG 11 HH12 ARG 11 10.676 9.588 -4.141
85 HH21 ARG 11 HH21 ARG 11 10.303 6.765 -6.170
86 HH22 ARG 11 HH22 ARG 11 9.855 8.421 -5.933
87 H GLU 12 H GLU 12 16.852 3.051 -2.613
88 HA GLU 12 HA GLU 12 15.996 2.402 0.028
89 HB2 GLU 12 HB2 GLU 12 16.710 0.825 -1.909
90 HB3 GLU 12 HB3 GLU 12 18.344 1.114 -1.329
91 HG2 GLU 12 HG2 GLU 12 18.028 -0.065 0.588
92 HG3 GLU 12 HG3 GLU 12 16.304 0.295 0.658
93 H ILE 13 H ILE 13 19.137 3.360 -1.346
94 HA ILE 13 HA ILE 13 20.521 3.408 1.114
95 HB ILE 13 HB ILE 13 21.122 4.934 -1.423
96 HG12 ILE 13 HG12 ILE 13 22.464 2.407 -0.496
97 HG13 ILE 13 HG13 ILE 13 20.980 2.347 -1.441
98 HG21 ILE 13 HG21 ILE 13 23.503 4.433 -0.140
99 HG22 ILE 13 HG22 ILE 13 22.644 5.972 -0.164
100 HG23 ILE 13 HG23 ILE 13 22.415 4.855 1.182
101 HD11 ILE 13 HD11 ILE 13 22.620 2.144 -3.045
102 HD12 ILE 13 HD12 ILE 13 22.262 3.871 -3.089
103 HD13 ILE 13 HD13 ILE 13 23.695 3.288 -2.242
104 H ALA 14 H ALA 14 18.565 5.776 -0.564
105 HA ALA 14 HA ALA 14 19.363 8.029 0.976
106 HB1 ALA 14 HB1 ALA 14 18.279 8.154 -1.260
107 HB2 ALA 14 HB2 ALA 14 16.766 7.651 -0.505
108 HB3 ALA 14 HB3 ALA 14 17.519 9.175 -0.038
109 H CYS 15 H CYS 15 16.741 5.676 1.252
110 HA CYS 15 HA CYS 15 15.440 6.964 3.430
111 HB2 CYS 15 HB2 CYS 15 15.248 4.311 2.086
112 HB3 CYS 15 HB3 CYS 15 14.563 4.461 3.700
113 H GLY 16 H GLY 16 17.799 4.329 3.194
114 HA2 GLY 16 HA2 GLY 16 17.869 3.519 5.845
115 HA3 GLY 16 HA3 GLY 16 19.244 3.460 4.753
116 H GLN 17 H GLN 17 19.643 6.181 4.312
117 HA GLN 17 HA GLN 17 21.138 6.875 6.613
118 HB2 GLN 17 HB2 GLN 17 20.419 8.380 4.104
119 HB3 GLN 17 HB3 GLN 17 21.395 9.099 5.378
120 HG2 GLN 17 HG2 GLN 17 22.871 6.993 5.099
121 HG3 GLN 17 HG3 GLN 17 22.051 6.835 3.546
122 HE21 GLN 17 HE21 GLN 17 24.211 7.114 2.677
123 HE22 GLN 17 HE22 GLN 17 24.834 8.711 2.460
124 H CYS 18 H CYS 18 18.272 8.413 5.149
125 HA CYS 18 HA CYS 18 17.850 10.334 7.121
126 HB2 CYS 18 HB2 CYS 18 16.205 9.073 5.003
127 HB3 CYS 18 HB3 CYS 18 15.320 9.867 6.302
128 H ARG 19 H ARG 19 17.010 6.943 7.034
129 HA ARG 19 HA ARG 19 15.092 6.837 9.047
130 HB2 ARG 19 HB2 ARG 19 15.579 4.908 7.669
131 HB3 ARG 19 HB3 ARG 19 17.218 4.825 8.301
132 HG2 ARG 19 HG2 ARG 19 16.300 4.333 10.536
133 HG3 ARG 19 HG3 ARG 19 14.678 4.335 9.841
134 HD2 ARG 19 HD2 ARG 19 16.198 2.636 8.216
135 HD3 ARG 19 HD3 ARG 19 16.657 2.244 9.873
136 HE ARG 19 HE ARG 19 13.815 2.429 9.449
137 HH11 ARG 19 HH11 ARG 19 16.611 0.356 9.360
138 HH12 ARG 19 HH12 ARG 19 15.696 -1.103 9.546
139 HH21 ARG 19 HH21 ARG 19 12.600 0.514 9.694
140 HH22 ARG 19 HH22 ARG 19 13.415 -1.012 9.735
141 H ASP 20 H ASP 20 18.601 6.980 9.251
142 HA ASP 20 HA ASP 20 18.643 6.590 12.106
143 HB2 ASP 20 HB2 ASP 20 20.517 5.877 10.636
144 HB3 ASP 20 HB3 ASP 20 20.846 7.571 10.279
145 H LYS 21 H LYS 21 19.306 9.325 9.923
146 HA LYS 21 HA LYS 21 19.786 11.256 11.872
147 HB2 LYS 21 HB2 LYS 21 18.486 11.665 9.172
148 HB3 LYS 21 HB3 LYS 21 19.267 12.906 10.143
149 HG2 LYS 21 HG2 LYS 21 21.307 11.212 9.959
150 HG3 LYS 21 HG3 LYS 21 20.455 10.767 8.478
151 HD2 LYS 21 HD2 LYS 21 21.792 12.452 7.688
152 HD3 LYS 21 HD3 LYS 21 20.362 13.380 8.146
153 HE2 LYS 21 HE2 LYS 21 21.374 14.101 10.167
154 HE3 LYS 21 HE3 LYS 21 22.698 12.950 9.995
155 HZ1 LYS 21 HZ1 LYS 21 23.786 14.677 9.125
156 HZ2 LYS 21 HZ2 LYS 21 22.378 15.567 8.835
157 HZ3 LYS 21 HZ3 LYS 21 22.879 14.392 7.726
158 H VAL 22 H VAL 22 16.743 10.765 10.068
159 HA VAL 22 HA VAL 22 15.150 12.518 11.484
160 HB VAL 22 HB VAL 22 14.281 9.860 10.339
161 HG11 VAL 22 HG11 VAL 22 12.310 10.401 11.233
162 HG12 VAL 22 HG12 VAL 22 12.852 12.029 11.642
163 HG13 VAL 22 HG13 VAL 22 12.234 11.684 10.027
164 HG21 VAL 22 HG21 VAL 22 14.539 10.701 8.296
165 HG22 VAL 22 HG22 VAL 22 13.674 12.175 8.733
166 HG23 VAL 22 HG23 VAL 22 15.409 12.051 9.024
167 H LYS 23 H LYS 23 16.251 9.336 12.380
168 HA LYS 23 HA LYS 23 16.052 8.106 14.284
169 HB2 LYS 23 HB2 LYS 23 15.634 10.903 15.285
170 HB3 LYS 23 HB3 LYS 23 15.474 9.540 16.385
171 HG2 LYS 23 HG2 LYS 23 17.769 8.839 15.782
172 HG3 LYS 23 HG3 LYS 23 17.916 10.294 14.793
173 HD2 LYS 23 HD2 LYS 23 17.528 11.675 16.783
174 HD3 LYS 23 HD3 LYS 23 17.397 10.215 17.767
175 HE2 LYS 23 HE2 LYS 23 19.720 9.625 17.030
176 HE3 LYS 23 HE3 LYS 23 19.820 11.217 16.279
177 HZ1 LYS 23 HZ1 LYS 23 18.931 11.549 18.909
178 HZ2 LYS 23 HZ2 LYS 23 20.396 12.054 18.229
179 HZ3 LYS 23 HZ3 LYS 23 20.281 10.530 18.954
180 H THR 24 H THR 24 13.929 7.756 12.727
181 HA THR 24 HA THR 24 11.693 7.650 14.636
182 HB THR 24 HB THR 24 11.466 8.328 11.697
183 HG1 THR 24 HG1 THR 24 10.513 10.280 12.666
184 HG21 THR 24 HG21 THR 24 9.012 8.725 12.494
185 HG22 THR 24 HG22 THR 24 9.442 7.591 13.774
186 HG23 THR 24 HG23 THR 24 9.545 7.095 12.085
187 H ASP 25 H ASP 25 11.119 5.621 15.003
188 HA ASP 25 HA ASP 25 12.107 3.428 13.530
189 HB2 ASP 25 HB2 ASP 25 9.984 3.710 15.644
190 HB3 ASP 25 HB3 ASP 25 10.308 2.158 14.876
191 H GLY 26 H GLY 26 11.448 2.616 11.657
192 HA2 GLY 26 HA2 GLY 26 9.845 1.726 10.172
193 HA3 GLY 26 HA3 GLY 26 8.606 2.679 10.974
194 H TYR 27 H TYR 27 11.225 4.642 10.462
195 HA TYR 27 HA TYR 27 9.900 6.241 8.557
196 HB2 TYR 27 HB2 TYR 27 11.660 6.977 10.237
197 HB3 TYR 27 HB3 TYR 27 12.861 6.312 9.136
198 HD1 TYR 27 HD1 TYR 27 10.427 8.995 9.670
199 HD2 TYR 27 HD2 TYR 27 13.346 7.398 7.018
200 HE1 TYR 27 HE1 TYR 27 10.439 11.112 8.418
201 HE2 TYR 27 HE2 TYR 27 13.367 9.511 5.760
202 HH TYR 27 HH TYR 27 11.175 11.635 5.697
203 H PHE 28 H PHE 28 12.678 4.045 8.258
204 HA PHE 28 HA PHE 28 13.282 4.447 5.589
205 HB2 PHE 28 HB2 PHE 28 14.739 3.107 6.933
206 HB3 PHE 28 HB3 PHE 28 13.458 1.949 7.276
207 HD1 PHE 28 HD1 PHE 28 12.765 0.327 5.602
208 HD2 PHE 28 HD2 PHE 28 15.935 3.067 4.851
209 HE1 PHE 28 HE1 PHE 28 13.478 -1.031 3.679
210 HE2 PHE 28 HE2 PHE 28 16.653 1.714 2.926
211 HZ PHE 28 HZ PHE 28 15.425 -0.339 2.338
212 H TYR 29 H TYR 29 10.981 2.128 6.990
213 HA TYR 29 HA TYR 29 10.119 1.131 4.462
214 HB2 TYR 29 HB2 TYR 29 9.939 -0.196 6.528
215 HB3 TYR 29 HB3 TYR 29 8.774 0.958 7.168
216 HD1 TYR 29 HD1 TYR 29 9.326 -1.600 4.557
217 HD2 TYR 29 HD2 TYR 29 6.482 0.861 6.547
218 HE1 TYR 29 HE1 TYR 29 7.501 -2.875 3.512
219 HE2 TYR 29 HE2 TYR 29 4.649 -0.408 5.509
220 HH TYR 29 HH TYR 29 5.287 -2.948 3.134
221 H GLU 30 H GLU 30 9.265 3.842 6.419
222 HA GLU 30 HA GLU 30 6.660 4.265 5.323
223 HB2 GLU 30 HB2 GLU 30 7.471 5.151 7.536
224 HB3 GLU 30 HB3 GLU 30 8.450 6.306 6.644
225 HG2 GLU 30 HG2 GLU 30 6.639 7.604 7.015
226 HG3 GLU 30 HG3 GLU 30 6.115 6.843 5.515
227 H CYS 31 H CYS 31 9.785 5.911 4.840
228 HA CYS 31 HA CYS 31 8.885 7.564 2.734
229 HB2 CYS 31 HB2 CYS 31 11.311 7.915 2.283
230 HB3 CYS 31 HB3 CYS 31 10.873 8.154 3.972
231 H CYS 32 H CYS 32 10.039 4.289 2.845
232 HA CYS 32 HA CYS 32 10.778 3.979 0.147
233 HB2 CYS 32 HB2 CYS 32 10.101 2.171 2.400
234 HB3 CYS 32 HB3 CYS 32 9.972 1.490 0.781
235 H THR 33 H THR 33 7.700 4.131 1.707
236 HA THR 33 HA THR 33 6.394 3.540 -0.867
237 HB THR 33 HB THR 33 4.550 2.499 0.222
238 HG1 THR 33 HG1 THR 33 5.790 3.336 2.647
239 HG21 THR 33 HG21 THR 33 7.073 1.415 0.261
240 HG22 THR 33 HG22 THR 33 5.579 0.539 0.597
241 HG23 THR 33 HG23 THR 33 6.535 1.194 1.926
242 H SER 34 H SER 34 7.274 6.058 0.615
243 HA SER 34 HA SER 34 4.708 7.460 0.335
244 HB2 SER 34 HB2 SER 34 5.164 7.168 2.742
245 HB3 SER 34 HB3 SER 34 6.727 7.959 2.538
246 HG SER 34 HG SER 34 4.205 9.046 2.687
247 H ASP 35 H ASP 35 5.063 8.553 -1.505
248 HA ASP 35 HA ASP 35 7.572 9.559 -2.331
249 HB2 ASP 35 HB2 ASP 35 5.370 9.067 -3.684
250 HB3 ASP 35 HB3 ASP 35 5.010 10.752 -3.317
251 H SER 36 H SER 36 4.951 10.912 -0.456
252 HA SER 36 HA SER 36 5.843 13.620 -0.595
253 HB2 SER 36 HB2 SER 36 4.020 12.285 1.421
254 HB3 SER 36 HB3 SER 36 4.220 14.024 1.210
255 HG SER 36 HG SER 36 2.388 12.884 0.096
256 H THR 37 H THR 37 6.098 11.073 1.871
257 HA THR 37 HA THR 37 7.467 12.519 3.813
258 HB THR 37 HB THR 37 7.725 9.577 3.161
259 HG1 THR 37 HG1 THR 37 6.180 9.424 4.905
260 HG21 THR 37 HG21 THR 37 8.131 9.862 5.858
261 HG22 THR 37 HG22 THR 37 8.973 11.265 5.200
262 HG23 THR 37 HG23 THR 37 9.401 9.643 4.655
263 H PHE 38 H PHE 38 8.606 11.091 0.845
264 HA PHE 38 HA PHE 38 11.363 11.044 1.415
265 HB2 PHE 38 HB2 PHE 38 10.013 10.039 -0.588
266 HB3 PHE 38 HB3 PHE 38 10.331 11.596 -1.345
267 HD1 PHE 38 HD1 PHE 38 12.134 8.873 0.453
268 HD2 PHE 38 HD2 PHE 38 12.235 11.830 -2.606
269 HE1 PHE 38 HE1 PHE 38 14.357 8.078 -0.237
270 HE2 PHE 38 HE2 PHE 38 14.459 11.039 -3.302
271 HZ PHE 38 HZ PHE 38 15.523 9.161 -2.116
272 H LYS 39 H LYS 39 9.233 13.569 0.213
273 HA LYS 39 HA LYS 39 11.057 15.434 -0.689
274 HB2 LYS 39 HB2 LYS 39 8.455 15.846 0.788
275 HB3 LYS 39 HB3 LYS 39 9.355 17.151 0.026
276 HG2 LYS 39 HG2 LYS 39 9.140 15.975 -2.141
277 HG3 LYS 39 HG3 LYS 39 8.132 14.765 -1.344
278 HD2 LYS 39 HD2 LYS 39 6.660 16.318 -2.379
279 HD3 LYS 39 HD3 LYS 39 6.613 16.647 -0.645
280 HE2 LYS 39 HE2 LYS 39 6.729 18.725 -1.885
281 HE3 LYS 39 HE3 LYS 39 8.216 18.484 -0.970
282 HZ1 LYS 39 HZ1 LYS 39 7.875 17.893 -3.861
283 HZ2 LYS 39 HZ2 LYS 39 9.306 17.731 -2.973
284 HZ3 LYS 39 HZ3 LYS 39 8.640 19.264 -3.229
285 H LYS 40 H LYS 40 9.765 15.150 2.622
286 HA LYS 40 HA LYS 40 11.307 17.169 3.775
287 HB2 LYS 40 HB2 LYS 40 10.053 14.677 4.906
288 HB3 LYS 40 HB3 LYS 40 10.954 15.795 5.921
289 HG2 LYS 40 HG2 LYS 40 8.756 16.473 6.188
290 HG3 LYS 40 HG3 LYS 40 9.381 17.595 4.977
291 HD2 LYS 40 HD2 LYS 40 8.168 16.642 3.272
292 HD3 LYS 40 HD3 LYS 40 8.083 15.069 4.069
293 HE2 LYS 40 HE2 LYS 40 5.906 15.921 4.211
294 HE3 LYS 40 HE3 LYS 40 6.605 16.225 5.801
295 HZ1 LYS 40 HZ1 LYS 40 6.024 18.331 5.517
296 HZ2 LYS 40 HZ2 LYS 40 5.599 18.081 3.899
297 HZ3 LYS 40 HZ3 LYS 40 7.198 18.453 4.305
298 H CYS 41 H CYS 41 12.025 13.761 3.229
299 HA CYS 41 HA CYS 41 14.445 13.704 4.703
300 HB2 CYS 41 HB2 CYS 41 13.342 11.631 4.202
301 HB3 CYS 41 HB3 CYS 41 13.400 11.955 2.473
302 H GLN 42 H GLN 42 13.652 14.497 1.375
303 HA GLN 42 HA GLN 42 16.240 14.483 0.301
304 HB2 GLN 42 HB2 GLN 42 13.735 15.982 -0.426
305 HB3 GLN 42 HB3 GLN 42 15.230 16.204 -1.324
306 HG2 GLN 42 HG2 GLN 42 13.649 13.667 -1.009
307 HG3 GLN 42 HG3 GLN 42 13.886 14.612 -2.478
308 HE21 GLN 42 HE21 GLN 42 15.270 12.328 -0.283
309 HE22 GLN 42 HE22 GLN 42 16.651 11.926 -1.241
310 H ASP 43 H ASP 43 14.524 16.871 2.196
311 HA ASP 43 HA ASP 43 16.331 19.019 1.719
312 HB2 ASP 43 HB2 ASP 43 13.931 19.171 2.589
313 HB3 ASP 43 HB3 ASP 43 14.586 18.711 4.158
314 H LEU 44 H LEU 44 16.047 16.554 4.236
315 HA LEU 44 HA LEU 44 17.986 17.515 5.995
316 HB2 LEU 44 HB2 LEU 44 17.399 14.620 5.407
317 HB3 LEU 44 HB3 LEU 44 18.094 15.283 6.884
318 HG LEU 44 HG LEU 44 15.262 15.624 5.904
319 HD11 LEU 44 HD11 LEU 44 15.791 14.528 8.562
320 HD12 LEU 44 HD12 LEU 44 16.370 13.519 7.237
321 HD13 LEU 44 HD13 LEU 44 14.672 13.988 7.310
322 HD21 LEU 44 HD21 LEU 44 15.134 16.634 8.331
323 HD22 LEU 44 HD22 LEU 44 15.570 17.636 6.947
324 HD23 LEU 44 HD23 LEU 44 16.827 17.016 8.018
325 H LEU 45 H LEU 45 18.343 15.145 3.359
326 HA LEU 45 HA LEU 45 21.163 14.926 3.646
327 HB2 LEU 45 HB2 LEU 45 19.605 14.319 1.150
328 HB3 LEU 45 HB3 LEU 45 21.116 13.594 1.695
329 HG LEU 45 HG LEU 45 18.367 13.154 2.856
330 HD11 LEU 45 HD11 LEU 45 18.609 11.898 0.870
331 HD12 LEU 45 HD12 LEU 45 18.917 10.781 2.199
332 HD13 LEU 45 HD13 LEU 45 20.265 11.441 1.273
333 HD21 LEU 45 HD21 LEU 45 21.037 12.752 3.984
334 HD22 LEU 45 HD22 LEU 45 20.018 11.312 4.012
335 HD23 LEU 45 HD23 LEU 45 19.463 12.801 4.778
336 H HIS 46 H HIS 46 19.071 17.109 1.957
337 HA HIS 46 HA HIS 46 21.394 18.306 0.600
338 HB2 HIS 46 HB2 HIS 46 19.375 17.500 -0.765
339 HB3 HIS 46 HB3 HIS 46 18.512 18.870 -0.074
340 HD1 HIS 46 HD1 HIS 46 18.273 20.165 -2.247
341 HD2 HIS 46 HD2 HIS 46 22.212 19.211 -1.332
342 HE1 HIS 46 HE1 HIS 46 19.677 21.484 -3.863
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 -0.425 -2.187 -0.698
2 HA ALA 1 HA ALA 1 1.520 -0.082 -1.120
3 HB1 ALA 1 HB1 ALA 1 2.406 -1.411 1.074
4 HB2 ALA 1 HB2 ALA 1 1.223 -0.103 1.105
5 HB3 ALA 1 HB3 ALA 1 0.682 -1.781 1.119
6 H ASP 2 H ASP 2 3.267 -0.386 -2.321
7 HA ASP 2 HA ASP 2 4.536 -3.044 -2.316
8 HB2 ASP 2 HB2 ASP 2 5.295 -2.283 -4.713
9 HB3 ASP 2 HB3 ASP 2 3.705 -3.003 -4.474
10 H ASN 3 H ASN 3 6.759 -3.110 -2.249
11 HA ASN 3 HA ASN 3 8.043 -0.687 -1.309
12 HB2 ASN 3 HB2 ASN 3 8.654 -3.591 -1.258
13 HB3 ASN 3 HB3 ASN 3 10.034 -2.497 -1.269
14 HD21 ASN 3 HD21 ASN 3 8.704 -4.313 0.779
15 HD22 ASN 3 HD22 ASN 3 8.562 -3.313 2.181
16 H LYS 4 H LYS 4 8.902 0.690 -2.707
17 HA LYS 4 HA LYS 4 9.702 -0.179 -5.354
18 HB2 LYS 4 HB2 LYS 4 9.842 2.578 -4.121
19 HB3 LYS 4 HB3 LYS 4 10.016 2.187 -5.827
20 HG2 LYS 4 HG2 LYS 4 7.844 2.567 -6.036
21 HG3 LYS 4 HG3 LYS 4 7.567 1.091 -5.109
22 HD2 LYS 4 HD2 LYS 4 7.494 2.343 -3.050
23 HD3 LYS 4 HD3 LYS 4 7.940 3.828 -3.894
24 HE2 LYS 4 HE2 LYS 4 5.825 3.479 -5.273
25 HE3 LYS 4 HE3 LYS 4 5.372 2.275 -4.067
26 HZ1 LYS 4 HZ1 LYS 4 6.188 4.898 -3.085
27 HZ2 LYS 4 HZ2 LYS 4 4.998 3.846 -2.502
28 HZ3 LYS 4 HZ3 LYS 4 4.687 4.805 -3.861
29 H CYS 5 H CYS 5 11.175 0.708 -2.333
30 HA CYS 5 HA CYS 5 13.739 1.398 -3.129
31 HB2 CYS 5 HB2 CYS 5 12.674 0.020 -0.678
32 HB3 CYS 5 HB3 CYS 5 14.401 0.302 -0.875
33 H GLU 6 H GLU 6 12.297 -1.796 -2.724
34 HA GLU 6 HA GLU 6 14.588 -3.362 -2.945
35 HB2 GLU 6 HB2 GLU 6 12.086 -3.997 -2.486
36 HB3 GLU 6 HB3 GLU 6 12.023 -4.226 -4.228
37 HG2 GLU 6 HG2 GLU 6 14.180 -5.535 -2.637
38 HG3 GLU 6 HG3 GLU 6 12.560 -6.228 -2.667
39 H ASN 7 H ASN 7 12.857 -1.568 -5.349
40 HA ASN 7 HA ASN 7 14.327 -2.879 -7.516
41 HB2 ASN 7 HB2 ASN 7 11.951 -1.028 -7.457
42 HB3 ASN 7 HB3 ASN 7 12.832 -1.347 -8.949
43 HD21 ASN 7 HD21 ASN 7 12.244 -3.041 -10.106
44 HD22 ASN 7 HD22 ASN 7 11.244 -4.340 -9.559
45 H SER 8 H SER 8 14.073 0.129 -5.774
46 HA SER 8 HA SER 8 16.071 1.349 -7.553
47 HB2 SER 8 HB2 SER 8 13.960 2.478 -5.753
48 HB3 SER 8 HB3 SER 8 15.390 3.444 -6.113
49 HG SER 8 HG SER 8 14.798 2.763 -8.415
50 H LEU 9 H LEU 9 18.082 1.015 -6.875
51 HA LEU 9 HA LEU 9 18.786 0.363 -4.215
52 HB2 LEU 9 HB2 LEU 9 21.026 0.355 -4.954
53 HB3 LEU 9 HB3 LEU 9 20.052 -0.241 -6.296
54 HG LEU 9 HG LEU 9 20.188 2.336 -6.994
55 HD11 LEU 9 HD11 LEU 9 22.844 2.641 -6.507
56 HD12 LEU 9 HD12 LEU 9 22.287 1.944 -4.987
57 HD13 LEU 9 HD13 LEU 9 21.556 3.429 -5.595
58 HD21 LEU 9 HD21 LEU 9 21.061 0.047 -8.033
59 HD22 LEU 9 HD22 LEU 9 22.620 0.759 -7.619
60 HD23 LEU 9 HD23 LEU 9 21.515 1.618 -8.693
61 H ARG 10 H ARG 10 18.786 3.371 -6.039
62 HA ARG 10 HA ARG 10 20.221 4.916 -4.152
63 HB2 ARG 10 HB2 ARG 10 18.532 5.463 -6.529
64 HB3 ARG 10 HB3 ARG 10 18.733 6.783 -5.385
65 HG2 ARG 10 HG2 ARG 10 21.241 6.325 -5.576
66 HG3 ARG 10 HG3 ARG 10 20.823 5.372 -7.001
67 HD2 ARG 10 HD2 ARG 10 19.734 7.331 -7.987
68 HD3 ARG 10 HD3 ARG 10 20.154 8.281 -6.562
69 HE ARG 10 HE ARG 10 22.408 7.063 -7.881
70 HH11 ARG 10 HH11 ARG 10 20.315 9.841 -7.722
71 HH12 ARG 10 HH12 ARG 10 21.467 10.913 -8.446
72 HH21 ARG 10 HH21 ARG 10 23.933 8.465 -8.836
73 HH22 ARG 10 HH22 ARG 10 23.525 10.130 -9.080
74 H ARG 11 H ARG 11 16.757 4.376 -4.676
75 HA ARG 11 HA ARG 11 15.818 6.159 -2.721
76 HB2 ARG 11 HB2 ARG 11 14.481 5.000 -4.549
77 HB3 ARG 11 HB3 ARG 11 14.462 3.583 -3.508
78 HG2 ARG 11 HG2 ARG 11 12.439 4.612 -3.053
79 HG3 ARG 11 HG3 ARG 11 13.474 5.160 -1.734
80 HD2 ARG 11 HD2 ARG 11 13.564 7.305 -2.512
81 HD3 ARG 11 HD3 ARG 11 13.376 6.816 -4.195
82 HE ARG 11 HE ARG 11 11.311 7.602 -2.423
83 HH11 ARG 11 HH11 ARG 11 12.022 5.373 -5.000
84 HH12 ARG 11 HH12 ARG 11 10.376 5.256 -5.529
85 HH21 ARG 11 HH21 ARG 11 9.141 7.457 -3.109
86 HH22 ARG 11 HH22 ARG 11 8.738 6.443 -4.453
87 H GLU 12 H GLU 12 16.882 2.813 -2.532
88 HA GLU 12 HA GLU 12 16.003 2.386 0.147
89 HB2 GLU 12 HB2 GLU 12 16.603 0.647 -1.682
90 HB3 GLU 12 HB3 GLU 12 18.259 0.876 -1.138
91 HG2 GLU 12 HG2 GLU 12 17.719 0.116 1.058
92 HG3 GLU 12 HG3 GLU 12 15.998 0.087 0.679
93 H ILE 13 H ILE 13 19.204 3.018 -1.280
94 HA ILE 13 HA ILE 13 20.614 3.134 1.146
95 HB ILE 13 HB ILE 13 21.246 4.535 -1.455
96 HG12 ILE 13 HG12 ILE 13 22.460 1.971 -0.451
97 HG13 ILE 13 HG13 ILE 13 20.975 1.966 -1.396
98 HG21 ILE 13 HG21 ILE 13 22.786 5.562 -0.187
99 HG22 ILE 13 HG22 ILE 13 22.618 4.404 1.131
100 HG23 ILE 13 HG23 ILE 13 23.631 4.016 -0.259
101 HD11 ILE 13 HD11 ILE 13 22.793 1.562 -2.869
102 HD12 ILE 13 HD12 ILE 13 22.205 3.196 -3.181
103 HD13 ILE 13 HD13 ILE 13 23.682 2.953 -2.248
104 H ALA 14 H ALA 14 18.769 5.541 -0.608
105 HA ALA 14 HA ALA 14 19.694 7.799 0.853
106 HB1 ALA 14 HB1 ALA 14 17.357 8.685 -0.035
107 HB2 ALA 14 HB2 ALA 14 18.750 8.489 -1.099
108 HB3 ALA 14 HB3 ALA 14 17.491 7.255 -1.058
109 H CYS 15 H CYS 15 16.846 5.703 1.147
110 HA CYS 15 HA CYS 15 15.603 7.085 3.251
111 HB2 CYS 15 HB2 CYS 15 15.421 4.341 2.110
112 HB3 CYS 15 HB3 CYS 15 14.731 4.601 3.709
113 H GLY 16 H GLY 16 17.975 4.454 3.259
114 HA2 GLY 16 HA2 GLY 16 18.009 3.832 5.955
115 HA3 GLY 16 HA3 GLY 16 19.411 3.733 4.900
116 H GLN 17 H GLN 17 19.712 6.455 4.291
117 HA GLN 17 HA GLN 17 21.234 7.327 6.484
118 HB2 GLN 17 HB2 GLN 17 20.213 8.809 4.061
119 HB3 GLN 17 HB3 GLN 17 21.325 9.512 5.228
120 HG2 GLN 17 HG2 GLN 17 22.796 7.458 4.730
121 HG3 GLN 17 HG3 GLN 17 21.787 7.280 3.295
122 HE21 GLN 17 HE21 GLN 17 22.844 8.011 1.602
123 HE22 GLN 17 HE22 GLN 17 23.767 9.469 1.527
124 H CYS 18 H CYS 18 18.263 8.794 5.155
125 HA CYS 18 HA CYS 18 17.835 10.601 7.232
126 HB2 CYS 18 HB2 CYS 18 16.121 9.378 5.121
127 HB3 CYS 18 HB3 CYS 18 15.321 10.230 6.438
128 H ARG 19 H ARG 19 17.048 7.206 6.969
129 HA ARG 19 HA ARG 19 15.162 6.969 9.006
130 HB2 ARG 19 HB2 ARG 19 15.698 5.148 7.455
131 HB3 ARG 19 HB3 ARG 19 17.294 4.992 8.178
132 HG2 ARG 19 HG2 ARG 19 15.708 4.714 10.358
133 HG3 ARG 19 HG3 ARG 19 14.698 3.999 9.101
134 HD2 ARG 19 HD2 ARG 19 16.836 2.721 8.428
135 HD3 ARG 19 HD3 ARG 19 17.428 3.179 10.025
136 HE ARG 19 HE ARG 19 14.834 1.929 10.041
137 HH11 ARG 19 HH11 ARG 19 18.276 1.421 10.137
138 HH12 ARG 19 HH12 ARG 19 18.158 -0.124 10.913
139 HH21 ARG 19 HH21 ARG 19 14.665 -0.103 11.064
140 HH22 ARG 19 HH22 ARG 19 16.104 -0.989 11.440
141 H ASP 20 H ASP 20 18.672 7.125 9.146
142 HA ASP 20 HA ASP 20 18.762 6.578 11.978
143 HB2 ASP 20 HB2 ASP 20 20.620 5.865 10.575
144 HB3 ASP 20 HB3 ASP 20 20.901 7.526 10.061
145 H LYS 21 H LYS 21 19.531 9.401 9.940
146 HA LYS 21 HA LYS 21 20.023 11.224 11.975
147 HB2 LYS 21 HB2 LYS 21 18.861 11.650 9.220
148 HB3 LYS 21 HB3 LYS 21 19.347 12.965 10.282
149 HG2 LYS 21 HG2 LYS 21 21.295 10.807 9.612
150 HG3 LYS 21 HG3 LYS 21 20.973 12.099 8.453
151 HD2 LYS 21 HD2 LYS 21 21.877 13.723 9.810
152 HD3 LYS 21 HD3 LYS 21 21.568 12.810 11.289
153 HE2 LYS 21 HE2 LYS 21 23.489 11.698 9.306
154 HE3 LYS 21 HE3 LYS 21 24.004 13.061 10.298
155 HZ1 LYS 21 HZ1 LYS 21 24.207 11.760 12.073
156 HZ2 LYS 21 HZ2 LYS 21 24.083 10.440 11.022
157 HZ3 LYS 21 HZ3 LYS 21 22.709 11.014 11.824
158 H VAL 22 H VAL 22 16.969 10.846 10.164
159 HA VAL 22 HA VAL 22 15.412 12.579 11.654
160 HB VAL 22 HB VAL 22 14.537 10.006 10.334
161 HG11 VAL 22 HG11 VAL 22 12.420 11.729 10.211
162 HG12 VAL 22 HG12 VAL 22 12.602 10.423 11.384
163 HG13 VAL 22 HG13 VAL 22 13.079 12.067 11.811
164 HG21 VAL 22 HG21 VAL 22 14.082 11.289 8.394
165 HG22 VAL 22 HG22 VAL 22 14.363 12.808 9.246
166 HG23 VAL 22 HG23 VAL 22 15.712 11.725 8.905
167 H LYS 23 H LYS 23 16.490 9.365 12.422
168 HA LYS 23 HA LYS 23 16.214 8.021 14.240
169 HB2 LYS 23 HB2 LYS 23 15.964 10.778 15.403
170 HB3 LYS 23 HB3 LYS 23 15.786 9.359 16.427
171 HG2 LYS 23 HG2 LYS 23 18.042 8.614 15.543
172 HG3 LYS 23 HG3 LYS 23 18.200 10.240 14.876
173 HD2 LYS 23 HD2 LYS 23 17.505 9.847 17.762
174 HD3 LYS 23 HD3 LYS 23 19.181 9.725 17.223
175 HE2 LYS 23 HE2 LYS 23 17.501 12.086 16.468
176 HE3 LYS 23 HE3 LYS 23 18.280 12.008 18.048
177 HZ1 LYS 23 HZ1 LYS 23 20.023 12.888 17.000
178 HZ2 LYS 23 HZ2 LYS 23 19.429 12.511 15.461
179 HZ3 LYS 23 HZ3 LYS 23 20.278 11.347 16.349
180 H THR 24 H THR 24 14.115 7.611 12.850
181 HA THR 24 HA THR 24 11.928 7.514 14.776
182 HB THR 24 HB THR 24 11.563 8.634 11.990
183 HG1 THR 24 HG1 THR 24 11.452 9.786 14.588
184 HG21 THR 24 HG21 THR 24 9.597 7.462 12.357
185 HG22 THR 24 HG22 THR 24 9.202 9.052 13.009
186 HG23 THR 24 HG23 THR 24 9.638 7.736 14.098
187 H ASP 25 H ASP 25 11.227 5.493 14.857
188 HA ASP 25 HA ASP 25 12.019 3.503 13.018
189 HB2 ASP 25 HB2 ASP 25 11.589 2.713 15.178
190 HB3 ASP 25 HB3 ASP 25 10.062 3.582 15.295
191 H GLY 26 H GLY 26 10.929 2.462 11.383
192 HA2 GLY 26 HA2 GLY 26 9.192 2.008 9.900
193 HA3 GLY 26 HA3 GLY 26 8.182 3.150 10.775
194 H TYR 27 H TYR 27 10.886 4.841 10.319
195 HA TYR 27 HA TYR 27 9.781 6.486 8.304
196 HB2 TYR 27 HB2 TYR 27 11.422 7.155 10.138
197 HB3 TYR 27 HB3 TYR 27 12.683 6.459 9.126
198 HD1 TYR 27 HD1 TYR 27 13.328 7.526 7.030
199 HD2 TYR 27 HD2 TYR 27 10.328 9.227 9.522
200 HE1 TYR 27 HE1 TYR 27 13.508 9.643 5.792
201 HE2 TYR 27 HE2 TYR 27 10.499 11.349 8.290
202 HH TYR 27 HH TYR 27 11.458 12.429 6.607
203 H PHE 28 H PHE 28 12.609 4.318 8.260
204 HA PHE 28 HA PHE 28 13.347 4.646 5.615
205 HB2 PHE 28 HB2 PHE 28 14.771 3.415 7.097
206 HB3 PHE 28 HB3 PHE 28 13.519 2.214 7.397
207 HD1 PHE 28 HD1 PHE 28 12.994 0.521 5.730
208 HD2 PHE 28 HD2 PHE 28 16.104 3.358 5.102
209 HE1 PHE 28 HE1 PHE 28 13.881 -0.862 3.899
210 HE2 PHE 28 HE2 PHE 28 16.996 1.981 3.270
211 HZ PHE 28 HZ PHE 28 15.884 -0.132 2.665
212 H TYR 29 H TYR 29 10.992 2.376 6.986
213 HA TYR 29 HA TYR 29 10.332 1.221 4.452
214 HB2 TYR 29 HB2 TYR 29 10.032 -0.135 6.404
215 HB3 TYR 29 HB3 TYR 29 9.013 1.081 7.165
216 HD1 TYR 29 HD1 TYR 29 9.041 -0.695 3.868
217 HD2 TYR 29 HD2 TYR 29 6.804 0.458 7.299
218 HE1 TYR 29 HE1 TYR 29 7.047 -1.785 2.928
219 HE2 TYR 29 HE2 TYR 29 4.804 -0.630 6.369
220 HH TYR 29 HH TYR 29 4.021 -1.970 4.753
221 H GLU 30 H GLU 30 9.290 3.978 6.244
222 HA GLU 30 HA GLU 30 6.740 4.269 4.980
223 HB2 GLU 30 HB2 GLU 30 7.098 5.272 7.145
224 HB3 GLU 30 HB3 GLU 30 8.452 6.212 6.534
225 HG2 GLU 30 HG2 GLU 30 6.579 7.661 6.740
226 HG3 GLU 30 HG3 GLU 30 6.874 7.393 5.023
227 H CYS 31 H CYS 31 9.830 6.017 4.646
228 HA CYS 31 HA CYS 31 9.037 7.602 2.465
229 HB2 CYS 31 HB2 CYS 31 11.478 7.942 2.106
230 HB3 CYS 31 HB3 CYS 31 10.978 8.201 3.774
231 H CYS 32 H CYS 32 10.172 4.325 2.671
232 HA CYS 32 HA CYS 32 11.000 3.981 -0.003
233 HB2 CYS 32 HB2 CYS 32 10.251 2.186 2.248
234 HB3 CYS 32 HB3 CYS 32 10.243 1.494 0.629
235 H THR 33 H THR 33 7.896 4.252 1.429
236 HA THR 33 HA THR 33 6.661 3.607 -1.161
237 HB THR 33 HB THR 33 4.802 2.510 -0.129
238 HG1 THR 33 HG1 THR 33 4.307 3.048 1.848
239 HG21 THR 33 HG21 THR 33 5.870 0.557 0.115
240 HG22 THR 33 HG22 THR 33 6.766 1.131 1.521
241 HG23 THR 33 HG23 THR 33 7.360 1.473 -0.103
242 H SER 34 H SER 34 7.439 6.105 0.403
243 HA SER 34 HA SER 34 4.842 7.446 0.106
244 HB2 SER 34 HB2 SER 34 5.506 7.002 2.548
245 HB3 SER 34 HB3 SER 34 6.773 8.203 2.295
246 HG SER 34 HG SER 34 4.902 9.545 1.494
247 H ASP 35 H ASP 35 5.215 8.577 -1.711
248 HA ASP 35 HA ASP 35 7.712 9.681 -2.446
249 HB2 ASP 35 HB2 ASP 35 4.993 10.567 -3.424
250 HB3 ASP 35 HB3 ASP 35 6.534 10.736 -4.259
251 H SER 36 H SER 36 4.998 10.907 -0.617
252 HA SER 36 HA SER 36 5.774 13.647 -0.688
253 HB2 SER 36 HB2 SER 36 3.467 13.010 -0.201
254 HB3 SER 36 HB3 SER 36 3.987 12.165 1.256
255 HG SER 36 HG SER 36 4.260 14.027 2.263
256 H THR 37 H THR 37 6.158 11.060 1.715
257 HA THR 37 HA THR 37 7.457 12.550 3.686
258 HB THR 37 HB THR 37 7.975 9.637 3.074
259 HG1 THR 37 HG1 THR 37 5.888 10.863 4.582
260 HG21 THR 37 HG21 THR 37 9.169 9.617 4.955
261 HG22 THR 37 HG22 THR 37 7.827 10.325 5.854
262 HG23 THR 37 HG23 THR 37 8.996 11.369 5.046
263 H PHE 38 H PHE 38 8.616 11.280 0.677
264 HA PHE 38 HA PHE 38 11.388 11.299 1.277
265 HB2 PHE 38 HB2 PHE 38 10.170 10.151 -0.684
266 HB3 PHE 38 HB3 PHE 38 10.250 11.720 -1.478
267 HD1 PHE 38 HD1 PHE 38 12.460 9.286 0.280
268 HD2 PHE 38 HD2 PHE 38 12.061 12.183 -2.813
269 HE1 PHE 38 HE1 PHE 38 14.741 8.774 -0.490
270 HE2 PHE 38 HE2 PHE 38 14.340 11.675 -3.588
271 HZ PHE 38 HZ PHE 38 15.683 9.968 -2.427
272 H LYS 39 H LYS 39 9.127 13.729 0.186
273 HA LYS 39 HA LYS 39 10.840 15.661 -0.818
274 HB2 LYS 39 HB2 LYS 39 8.268 15.942 0.737
275 HB3 LYS 39 HB3 LYS 39 9.093 17.306 -0.005
276 HG2 LYS 39 HG2 LYS 39 8.955 15.824 -2.159
277 HG3 LYS 39 HG3 LYS 39 7.637 15.046 -1.281
278 HD2 LYS 39 HD2 LYS 39 7.768 18.030 -1.565
279 HD3 LYS 39 HD3 LYS 39 7.076 17.021 -2.837
280 HE2 LYS 39 HE2 LYS 39 5.193 17.458 -1.620
281 HE3 LYS 39 HE3 LYS 39 5.739 15.992 -0.808
282 HZ1 LYS 39 HZ1 LYS 39 7.024 18.084 0.451
283 HZ2 LYS 39 HZ2 LYS 39 5.750 17.154 1.062
284 HZ3 LYS 39 HZ3 LYS 39 5.426 18.601 0.247
285 H LYS 40 H LYS 40 9.689 15.331 2.540
286 HA LYS 40 HA LYS 40 11.199 17.415 3.626
287 HB2 LYS 40 HB2 LYS 40 9.924 14.952 4.743
288 HB3 LYS 40 HB3 LYS 40 11.005 15.886 5.767
289 HG2 LYS 40 HG2 LYS 40 9.029 16.871 6.299
290 HG3 LYS 40 HG3 LYS 40 9.500 17.887 4.935
291 HD2 LYS 40 HD2 LYS 40 7.317 17.385 4.395
292 HD3 LYS 40 HD3 LYS 40 8.187 16.113 3.535
293 HE2 LYS 40 HE2 LYS 40 6.629 14.824 4.574
294 HE3 LYS 40 HE3 LYS 40 7.844 14.855 5.852
295 HZ1 LYS 40 HZ1 LYS 40 5.908 15.393 6.957
296 HZ2 LYS 40 HZ2 LYS 40 5.297 16.326 5.686
297 HZ3 LYS 40 HZ3 LYS 40 6.560 16.922 6.642
298 H CYS 41 H CYS 41 11.929 13.928 3.529
299 HA CYS 41 HA CYS 41 14.408 14.003 4.773
300 HB2 CYS 41 HB2 CYS 41 13.364 11.890 4.349
301 HB3 CYS 41 HB3 CYS 41 13.351 12.177 2.612
302 H GLN 42 H GLN 42 13.584 14.507 1.372
303 HA GLN 42 HA GLN 42 16.128 14.585 0.276
304 HB2 GLN 42 HB2 GLN 42 13.499 15.766 -0.437
305 HB3 GLN 42 HB3 GLN 42 14.915 16.435 -1.237
306 HG2 GLN 42 HG2 GLN 42 15.527 14.175 -1.991
307 HG3 GLN 42 HG3 GLN 42 14.057 13.551 -1.245
308 HE21 GLN 42 HE21 GLN 42 12.015 14.373 -2.049
309 HE22 GLN 42 HE22 GLN 42 11.886 14.835 -3.709
310 H ASP 43 H ASP 43 14.360 17.071 2.027
311 HA ASP 43 HA ASP 43 16.206 19.173 1.497
312 HB2 ASP 43 HB2 ASP 43 13.768 19.373 2.274
313 HB3 ASP 43 HB3 ASP 43 14.381 19.039 3.891
314 H LEU 44 H LEU 44 15.822 16.832 4.110
315 HA LEU 44 HA LEU 44 17.668 17.876 5.917
316 HB2 LEU 44 HB2 LEU 44 17.145 14.955 5.402
317 HB3 LEU 44 HB3 LEU 44 17.767 15.676 6.885
318 HG LEU 44 HG LEU 44 14.975 15.928 5.771
319 HD11 LEU 44 HD11 LEU 44 15.571 14.923 8.491
320 HD12 LEU 44 HD12 LEU 44 15.950 13.860 7.136
321 HD13 LEU 44 HD13 LEU 44 14.304 14.454 7.357
322 HD21 LEU 44 HD21 LEU 44 16.445 17.694 7.493
323 HD22 LEU 44 HD22 LEU 44 15.105 16.960 8.374
324 HD23 LEU 44 HD23 LEU 44 14.799 17.844 6.879
325 H LEU 45 H LEU 45 18.179 15.422 3.384
326 HA LEU 45 HA LEU 45 20.985 15.256 3.808
327 HB2 LEU 45 HB2 LEU 45 19.423 14.508 1.342
328 HB3 LEU 45 HB3 LEU 45 21.036 13.947 1.778
329 HG LEU 45 HG LEU 45 18.524 13.309 3.323
330 HD11 LEU 45 HD11 LEU 45 18.650 12.349 0.995
331 HD12 LEU 45 HD12 LEU 45 18.524 11.176 2.305
332 HD13 LEU 45 HD13 LEU 45 20.081 11.465 1.528
333 HD21 LEU 45 HD21 LEU 45 19.801 12.060 4.739
334 HD22 LEU 45 HD22 LEU 45 20.965 13.325 4.344
335 HD23 LEU 45 HD23 LEU 45 21.051 11.761 3.531
336 H HIS 46 H HIS 46 18.945 17.348 1.950
337 HA HIS 46 HA HIS 46 20.827 18.266 0.063
338 HB2 HIS 46 HB2 HIS 46 18.400 18.660 -0.140
339 HB3 HIS 46 HB3 HIS 46 18.465 19.742 1.248
340 HD1 HIS 46 HD1 HIS 46 17.724 21.805 -0.060
341 HD2 HIS 46 HD2 HIS 46 21.141 20.009 -1.595
342 HE1 HIS 46 HE1 HIS 46 18.649 23.439 -1.732
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 -0.271 0.022 0.356
2 HA ALA 1 HA ALA 1 1.288 1.507 -1.483
3 HB1 ALA 1 HB1 ALA 1 1.348 2.205 0.767
4 HB2 ALA 1 HB2 ALA 1 1.786 0.594 1.337
5 HB3 ALA 1 HB3 ALA 1 2.952 1.555 0.429
6 H ASP 2 H ASP 2 3.040 0.983 -2.663
7 HA ASP 2 HA ASP 2 3.956 -1.811 -2.532
8 HB2 ASP 2 HB2 ASP 2 3.871 0.172 -4.803
9 HB3 ASP 2 HB3 ASP 2 4.818 -1.311 -4.885
10 H ASN 3 H ASN 3 6.183 -2.274 -2.680
11 HA ASN 3 HA ASN 3 7.861 -0.204 -1.516
12 HB2 ASN 3 HB2 ASN 3 7.705 -2.735 -0.827
13 HB3 ASN 3 HB3 ASN 3 8.846 -2.961 -2.150
14 HD21 ASN 3 HD21 ASN 3 10.042 -3.745 -0.154
15 HD22 ASN 3 HD22 ASN 3 11.039 -2.581 0.642
16 H LYS 4 H LYS 4 9.142 1.042 -2.693
17 HA LYS 4 HA LYS 4 9.801 0.216 -5.431
18 HB2 LYS 4 HB2 LYS 4 10.112 2.953 -4.192
19 HB3 LYS 4 HB3 LYS 4 10.217 2.542 -5.899
20 HG2 LYS 4 HG2 LYS 4 8.082 3.136 -6.033
21 HG3 LYS 4 HG3 LYS 4 7.717 1.634 -5.180
22 HD2 LYS 4 HD2 LYS 4 7.768 2.781 -3.055
23 HD3 LYS 4 HD3 LYS 4 8.281 4.277 -3.838
24 HE2 LYS 4 HE2 LYS 4 6.112 4.072 -5.195
25 HE3 LYS 4 HE3 LYS 4 5.621 2.893 -3.980
26 HZ1 LYS 4 HZ1 LYS 4 6.558 5.059 -2.568
27 HZ2 LYS 4 HZ2 LYS 4 4.942 4.602 -2.768
28 HZ3 LYS 4 HZ3 LYS 4 5.638 5.728 -3.821
29 H CYS 5 H CYS 5 11.200 0.984 -2.343
30 HA CYS 5 HA CYS 5 13.845 1.483 -3.091
31 HB2 CYS 5 HB2 CYS 5 12.605 0.339 -0.600
32 HB3 CYS 5 HB3 CYS 5 14.351 0.510 -0.752
33 H GLU 6 H GLU 6 12.038 -1.470 -2.968
34 HA GLU 6 HA GLU 6 14.176 -3.301 -2.812
35 HB2 GLU 6 HB2 GLU 6 11.958 -4.085 -2.393
36 HB3 GLU 6 HB3 GLU 6 11.399 -3.537 -3.967
37 HG2 GLU 6 HG2 GLU 6 11.639 -5.928 -3.976
38 HG3 GLU 6 HG3 GLU 6 12.844 -5.208 -5.042
39 H ASN 7 H ASN 7 12.732 -1.556 -5.485
40 HA ASN 7 HA ASN 7 14.440 -2.970 -7.397
41 HB2 ASN 7 HB2 ASN 7 11.939 -2.520 -7.795
42 HB3 ASN 7 HB3 ASN 7 12.414 -0.848 -8.081
43 HD21 ASN 7 HD21 ASN 7 12.678 -0.369 -10.126
44 HD22 ASN 7 HD22 ASN 7 13.205 -1.444 -11.371
45 H SER 8 H SER 8 14.048 0.091 -5.809
46 HA SER 8 HA SER 8 16.103 1.313 -7.507
47 HB2 SER 8 HB2 SER 8 14.120 2.463 -5.546
48 HB3 SER 8 HB3 SER 8 15.463 3.410 -6.186
49 HG SER 8 HG SER 8 14.644 3.055 -8.270
50 H LEU 9 H LEU 9 18.109 0.916 -6.840
51 HA LEU 9 HA LEU 9 18.791 0.237 -4.170
52 HB2 LEU 9 HB2 LEU 9 20.999 0.063 -4.920
53 HB3 LEU 9 HB3 LEU 9 20.009 -0.404 -6.301
54 HG LEU 9 HG LEU 9 20.346 2.182 -6.886
55 HD11 LEU 9 HD11 LEU 9 22.272 1.630 -4.799
56 HD12 LEU 9 HD12 LEU 9 21.826 3.162 -5.548
57 HD13 LEU 9 HD13 LEU 9 23.052 2.140 -6.296
58 HD21 LEU 9 HD21 LEU 9 22.387 1.403 -8.209
59 HD22 LEU 9 HD22 LEU 9 20.868 0.548 -8.480
60 HD23 LEU 9 HD23 LEU 9 22.117 -0.172 -7.462
61 H ARG 10 H ARG 10 18.850 3.222 -6.016
62 HA ARG 10 HA ARG 10 20.366 4.726 -4.139
63 HB2 ARG 10 HB2 ARG 10 18.571 5.451 -6.438
64 HB3 ARG 10 HB3 ARG 10 19.238 6.693 -5.387
65 HG2 ARG 10 HG2 ARG 10 21.515 5.658 -5.909
66 HG3 ARG 10 HG3 ARG 10 20.685 4.820 -7.222
67 HD2 ARG 10 HD2 ARG 10 19.980 7.607 -7.210
68 HD3 ARG 10 HD3 ARG 10 21.733 7.420 -7.239
69 HE ARG 10 HE ARG 10 21.582 6.560 -9.364
70 HH11 ARG 10 HH11 ARG 10 18.413 6.698 -7.929
71 HH12 ARG 10 HH12 ARG 10 17.585 6.325 -9.405
72 HH21 ARG 10 HH21 ARG 10 20.504 6.069 -11.313
73 HH22 ARG 10 HH22 ARG 10 18.776 5.967 -11.330
74 H ARG 11 H ARG 11 16.939 4.086 -4.573
75 HA ARG 11 HA ARG 11 15.928 6.037 -2.825
76 HB2 ARG 11 HB2 ARG 11 14.697 4.469 -4.493
77 HB3 ARG 11 HB3 ARG 11 14.646 3.342 -3.145
78 HG2 ARG 11 HG2 ARG 11 12.625 4.410 -2.942
79 HG3 ARG 11 HG3 ARG 11 13.636 5.356 -1.847
80 HD2 ARG 11 HD2 ARG 11 12.481 6.961 -3.092
81 HD3 ARG 11 HD3 ARG 11 14.067 6.878 -3.858
82 HE ARG 11 HE ARG 11 12.095 5.154 -5.052
83 HH11 ARG 11 HH11 ARG 11 13.483 8.347 -5.020
84 HH12 ARG 11 HH12 ARG 11 13.004 8.713 -6.644
85 HH21 ARG 11 HH21 ARG 11 11.457 5.625 -7.191
86 HH22 ARG 11 HH22 ARG 11 11.850 7.165 -7.878
87 H GLU 12 H GLU 12 17.154 2.785 -2.261
88 HA GLU 12 HA GLU 12 16.351 2.656 0.472
89 HB2 GLU 12 HB2 GLU 12 16.727 0.594 -0.667
90 HB3 GLU 12 HB3 GLU 12 18.344 1.083 -1.155
91 HG2 GLU 12 HG2 GLU 12 19.255 0.621 0.880
92 HG3 GLU 12 HG3 GLU 12 17.754 0.937 1.748
93 H ILE 13 H ILE 13 19.499 3.217 -1.099
94 HA ILE 13 HA ILE 13 21.010 3.639 1.195
95 HB ILE 13 HB ILE 13 21.360 4.960 -1.499
96 HG12 ILE 13 HG12 ILE 13 22.701 2.481 -0.406
97 HG13 ILE 13 HG13 ILE 13 21.299 2.441 -1.469
98 HG21 ILE 13 HG21 ILE 13 23.843 4.780 -0.551
99 HG22 ILE 13 HG22 ILE 13 22.816 6.184 -0.263
100 HG23 ILE 13 HG23 ILE 13 22.981 4.943 0.979
101 HD11 ILE 13 HD11 ILE 13 23.594 4.025 -2.414
102 HD12 ILE 13 HD12 ILE 13 23.821 2.278 -2.337
103 HD13 ILE 13 HD13 ILE 13 22.505 2.955 -3.296
104 H ALA 14 H ALA 14 18.906 5.830 -0.564
105 HA ALA 14 HA ALA 14 19.724 8.204 0.770
106 HB1 ALA 14 HB1 ALA 14 17.805 7.464 -1.242
107 HB2 ALA 14 HB2 ALA 14 17.086 8.572 -0.073
108 HB3 ALA 14 HB3 ALA 14 18.557 9.029 -0.930
109 H CYS 15 H CYS 15 16.957 6.010 1.212
110 HA CYS 15 HA CYS 15 15.815 7.392 3.385
111 HB2 CYS 15 HB2 CYS 15 15.526 4.689 2.183
112 HB3 CYS 15 HB3 CYS 15 14.944 4.895 3.832
113 H GLY 16 H GLY 16 18.340 4.969 3.180
114 HA2 GLY 16 HA2 GLY 16 18.458 4.113 5.822
115 HA3 GLY 16 HA3 GLY 16 19.841 4.212 4.742
116 H GLN 17 H GLN 17 19.965 6.966 4.346
117 HA GLN 17 HA GLN 17 21.396 7.777 6.633
118 HB2 GLN 17 HB2 GLN 17 20.342 9.475 4.365
119 HB3 GLN 17 HB3 GLN 17 21.587 9.951 5.512
120 HG2 GLN 17 HG2 GLN 17 23.035 8.169 4.685
121 HG3 GLN 17 HG3 GLN 17 21.786 7.688 3.537
122 HE21 GLN 17 HE21 GLN 17 21.452 8.892 1.708
123 HE22 GLN 17 HE22 GLN 17 22.509 10.163 1.207
124 H CYS 18 H CYS 18 18.362 9.090 5.288
125 HA CYS 18 HA CYS 18 17.773 10.815 7.393
126 HB2 CYS 18 HB2 CYS 18 16.141 9.473 5.277
127 HB3 CYS 18 HB3 CYS 18 15.312 10.326 6.575
128 H ARG 19 H ARG 19 17.253 7.375 7.060
129 HA ARG 19 HA ARG 19 15.376 6.968 9.086
130 HB2 ARG 19 HB2 ARG 19 16.022 5.226 7.488
131 HB3 ARG 19 HB3 ARG 19 17.626 5.151 8.206
132 HG2 ARG 19 HG2 ARG 19 16.329 4.608 10.393
133 HG3 ARG 19 HG3 ARG 19 15.021 4.182 9.287
134 HD2 ARG 19 HD2 ARG 19 17.315 2.994 8.222
135 HD3 ARG 19 HD3 ARG 19 17.411 2.717 9.961
136 HE ARG 19 HE ARG 19 15.616 1.480 8.132
137 HH11 ARG 19 HH11 ARG 19 15.905 2.629 11.406
138 HH12 ARG 19 HH12 ARG 19 14.720 1.533 12.034
139 HH21 ARG 19 HH21 ARG 19 14.053 0.031 8.947
140 HH22 ARG 19 HH22 ARG 19 13.668 0.055 10.634
141 H ASP 20 H ASP 20 18.871 7.336 9.225
142 HA ASP 20 HA ASP 20 18.995 6.734 12.046
143 HB2 ASP 20 HB2 ASP 20 20.886 6.150 10.622
144 HB3 ASP 20 HB3 ASP 20 21.080 7.837 10.152
145 H LYS 21 H LYS 21 19.579 9.632 10.055
146 HA LYS 21 HA LYS 21 19.982 11.439 12.130
147 HB2 LYS 21 HB2 LYS 21 18.682 11.983 9.454
148 HB3 LYS 21 HB3 LYS 21 19.405 13.187 10.514
149 HG2 LYS 21 HG2 LYS 21 21.032 10.893 9.503
150 HG3 LYS 21 HG3 LYS 21 20.746 12.310 8.491
151 HD2 LYS 21 HD2 LYS 21 22.662 12.991 9.514
152 HD3 LYS 21 HD3 LYS 21 21.499 13.563 10.713
153 HE2 LYS 21 HE2 LYS 21 22.009 11.888 12.203
154 HE3 LYS 21 HE3 LYS 21 22.563 10.788 10.941
155 HZ1 LYS 21 HZ1 LYS 21 24.314 11.805 12.441
156 HZ2 LYS 21 HZ2 LYS 21 24.045 13.256 11.616
157 HZ3 LYS 21 HZ3 LYS 21 24.597 11.896 10.776
158 H VAL 22 H VAL 22 16.959 10.956 10.292
159 HA VAL 22 HA VAL 22 15.315 12.563 11.837
160 HB VAL 22 HB VAL 22 14.555 10.010 10.411
161 HG11 VAL 22 HG11 VAL 22 12.371 11.615 10.302
162 HG12 VAL 22 HG12 VAL 22 12.613 10.338 11.497
163 HG13 VAL 22 HG13 VAL 22 13.004 12.011 11.900
164 HG21 VAL 22 HG21 VAL 22 14.394 12.861 9.442
165 HG22 VAL 22 HG22 VAL 22 15.673 11.728 9.003
166 HG23 VAL 22 HG23 VAL 22 14.006 11.402 8.529
167 H LYS 23 H LYS 23 16.551 9.385 12.490
168 HA LYS 23 HA LYS 23 16.312 7.945 14.239
169 HB2 LYS 23 HB2 LYS 23 15.969 10.643 15.502
170 HB3 LYS 23 HB3 LYS 23 15.795 9.189 16.476
171 HG2 LYS 23 HG2 LYS 23 18.107 8.572 15.405
172 HG3 LYS 23 HG3 LYS 23 18.214 10.318 15.164
173 HD2 LYS 23 HD2 LYS 23 19.221 9.960 17.246
174 HD3 LYS 23 HD3 LYS 23 17.590 10.507 17.643
175 HE2 LYS 23 HE2 LYS 23 16.942 8.079 17.813
176 HE3 LYS 23 HE3 LYS 23 18.656 7.690 17.686
177 HZ1 LYS 23 HZ1 LYS 23 18.457 7.799 19.928
178 HZ2 LYS 23 HZ2 LYS 23 17.187 8.915 19.893
179 HZ3 LYS 23 HZ3 LYS 23 18.777 9.435 19.639
180 H THR 24 H THR 24 14.250 7.475 12.838
181 HA THR 24 HA THR 24 12.027 7.315 14.734
182 HB THR 24 HB THR 24 11.714 8.275 11.883
183 HG1 THR 24 HG1 THR 24 10.943 10.171 12.933
184 HG21 THR 24 HG21 THR 24 9.290 8.578 12.712
185 HG22 THR 24 HG22 THR 24 9.729 7.414 13.963
186 HG23 THR 24 HG23 THR 24 9.821 6.959 12.262
187 H ASP 25 H ASP 25 11.592 5.229 14.955
188 HA ASP 25 HA ASP 25 12.480 3.213 13.212
189 HB2 ASP 25 HB2 ASP 25 10.356 3.177 15.362
190 HB3 ASP 25 HB3 ASP 25 10.921 1.735 14.524
191 H GLY 26 H GLY 26 11.611 2.266 11.461
192 HA2 GLY 26 HA2 GLY 26 9.923 1.567 9.996
193 HA3 GLY 26 HA3 GLY 26 8.775 2.561 10.881
194 H TYR 27 H TYR 27 11.088 4.688 10.552
195 HA TYR 27 HA TYR 27 9.850 6.213 8.583
196 HB2 TYR 27 HB2 TYR 27 11.454 7.046 10.328
197 HB3 TYR 27 HB3 TYR 27 12.767 6.386 9.360
198 HD1 TYR 27 HD1 TYR 27 10.192 8.996 9.556
199 HD2 TYR 27 HD2 TYR 27 13.466 7.461 7.315
200 HE1 TYR 27 HE1 TYR 27 10.276 11.084 8.259
201 HE2 TYR 27 HE2 TYR 27 13.560 9.545 6.013
202 HH TYR 27 HH TYR 27 11.097 11.812 5.993
203 H PHE 28 H PHE 28 12.771 4.199 8.343
204 HA PHE 28 HA PHE 28 13.443 4.696 5.709
205 HB2 PHE 28 HB2 PHE 28 14.926 3.416 7.089
206 HB3 PHE 28 HB3 PHE 28 13.710 2.168 7.339
207 HD1 PHE 28 HD1 PHE 28 13.206 0.555 5.594
208 HD2 PHE 28 HD2 PHE 28 16.207 3.525 5.058
209 HE1 PHE 28 HE1 PHE 28 14.090 -0.692 3.666
210 HE2 PHE 28 HE2 PHE 28 17.096 2.283 3.128
211 HZ PHE 28 HZ PHE 28 16.038 0.171 2.431
212 H TYR 29 H TYR 29 11.171 2.293 6.989
213 HA TYR 29 HA TYR 29 10.488 1.270 4.405
214 HB2 TYR 29 HB2 TYR 29 10.260 -0.198 6.290
215 HB3 TYR 29 HB3 TYR 29 9.216 0.946 7.126
216 HD1 TYR 29 HD1 TYR 29 6.879 1.197 6.488
217 HD2 TYR 29 HD2 TYR 29 9.402 -1.595 4.502
218 HE1 TYR 29 HE1 TYR 29 4.899 0.105 5.521
219 HE2 TYR 29 HE2 TYR 29 7.429 -2.694 3.528
220 HH TYR 29 HH TYR 29 4.527 -2.534 4.585
221 H GLU 30 H GLU 30 9.420 3.896 6.369
222 HA GLU 30 HA GLU 30 6.837 4.197 5.180
223 HB2 GLU 30 HB2 GLU 30 7.316 5.083 7.408
224 HB3 GLU 30 HB3 GLU 30 8.527 6.164 6.734
225 HG2 GLU 30 HG2 GLU 30 6.682 7.195 5.368
226 HG3 GLU 30 HG3 GLU 30 5.551 6.255 6.340
227 H CYS 31 H CYS 31 9.883 6.023 4.861
228 HA CYS 31 HA CYS 31 8.998 7.695 2.778
229 HB2 CYS 31 HB2 CYS 31 11.431 8.106 2.385
230 HB3 CYS 31 HB3 CYS 31 10.941 8.305 4.064
231 H CYS 32 H CYS 32 10.232 4.448 2.806
232 HA CYS 32 HA CYS 32 10.990 4.274 0.085
233 HB2 CYS 32 HB2 CYS 32 10.420 2.332 2.272
234 HB3 CYS 32 HB3 CYS 32 10.422 1.725 0.619
235 H THR 33 H THR 33 7.938 4.211 1.686
236 HA THR 33 HA THR 33 6.630 3.567 -0.875
237 HB THR 33 HB THR 33 4.814 2.482 0.292
238 HG1 THR 33 HG1 THR 33 4.502 2.898 2.335
239 HG21 THR 33 HG21 THR 33 7.065 1.175 1.688
240 HG22 THR 33 HG22 THR 33 7.258 1.394 -0.052
241 HG23 THR 33 HG23 THR 33 5.874 0.501 0.577
242 H SER 34 H SER 34 7.387 6.122 0.605
243 HA SER 34 HA SER 34 4.737 7.373 0.388
244 HB2 SER 34 HB2 SER 34 6.768 7.843 2.581
245 HB3 SER 34 HB3 SER 34 5.364 8.873 2.299
246 HG SER 34 HG SER 34 5.518 6.483 3.564
247 H ASP 35 H ASP 35 5.000 8.461 -1.475
248 HA ASP 35 HA ASP 35 7.424 9.632 -2.338
249 HB2 ASP 35 HB2 ASP 35 4.568 9.789 -3.213
250 HB3 ASP 35 HB3 ASP 35 5.723 10.951 -3.860
251 H SER 36 H SER 36 4.748 10.808 -0.426
252 HA SER 36 HA SER 36 5.474 13.571 -0.591
253 HB2 SER 36 HB2 SER 36 3.826 12.399 1.635
254 HB3 SER 36 HB3 SER 36 3.688 13.982 0.871
255 HG SER 36 HG SER 36 2.196 12.028 0.316
256 H THR 37 H THR 37 6.056 10.953 1.701
257 HA THR 37 HA THR 37 7.276 12.525 3.709
258 HB THR 37 HB THR 37 7.648 9.586 3.100
259 HG1 THR 37 HG1 THR 37 5.879 11.005 4.823
260 HG21 THR 37 HG21 THR 37 8.313 9.474 5.515
261 HG22 THR 37 HG22 THR 37 8.382 11.237 5.516
262 HG23 THR 37 HG23 THR 37 9.466 10.312 4.478
263 H PHE 38 H PHE 38 8.426 11.207 0.717
264 HA PHE 38 HA PHE 38 11.192 11.198 1.266
265 HB2 PHE 38 HB2 PHE 38 9.856 10.204 -0.747
266 HB3 PHE 38 HB3 PHE 38 10.109 11.790 -1.468
267 HD1 PHE 38 HD1 PHE 38 12.067 9.144 0.290
268 HD2 PHE 38 HD2 PHE 38 11.949 12.064 -2.805
269 HE1 PHE 38 HE1 PHE 38 14.306 8.443 -0.452
270 HE2 PHE 38 HE2 PHE 38 14.188 11.368 -3.552
271 HZ PHE 38 HZ PHE 38 15.369 9.556 -2.374
272 H LYS 39 H LYS 39 8.988 13.703 0.169
273 HA LYS 39 HA LYS 39 10.780 15.631 -0.694
274 HB2 LYS 39 HB2 LYS 39 8.037 15.666 0.436
275 HB3 LYS 39 HB3 LYS 39 8.908 17.194 0.437
276 HG2 LYS 39 HG2 LYS 39 7.913 17.354 -1.591
277 HG3 LYS 39 HG3 LYS 39 9.377 16.496 -2.077
278 HD2 LYS 39 HD2 LYS 39 7.919 15.073 -3.042
279 HD3 LYS 39 HD3 LYS 39 7.778 14.418 -1.409
280 HE2 LYS 39 HE2 LYS 39 5.961 16.411 -2.752
281 HE3 LYS 39 HE3 LYS 39 5.572 14.761 -2.271
282 HZ1 LYS 39 HZ1 LYS 39 4.669 16.286 -0.681
283 HZ2 LYS 39 HZ2 LYS 39 6.168 17.036 -0.460
284 HZ3 LYS 39 HZ3 LYS 39 5.937 15.441 0.053
285 H LYS 40 H LYS 40 9.468 15.204 2.592
286 HA LYS 40 HA LYS 40 10.876 17.250 3.839
287 HB2 LYS 40 HB2 LYS 40 9.751 14.644 4.813
288 HB3 LYS 40 HB3 LYS 40 10.669 15.675 5.903
289 HG2 LYS 40 HG2 LYS 40 8.527 16.369 6.320
290 HG3 LYS 40 HG3 LYS 40 9.026 17.526 5.084
291 HD2 LYS 40 HD2 LYS 40 7.907 16.216 3.372
292 HD3 LYS 40 HD3 LYS 40 7.465 14.994 4.567
293 HE2 LYS 40 HE2 LYS 40 6.596 17.880 4.667
294 HE3 LYS 40 HE3 LYS 40 5.623 16.568 4.002
295 HZ1 LYS 40 HZ1 LYS 40 6.601 16.015 6.642
296 HZ2 LYS 40 HZ2 LYS 40 5.028 15.905 6.028
297 HZ3 LYS 40 HZ3 LYS 40 5.615 17.390 6.588
298 H CYS 41 H CYS 41 11.765 13.810 3.572
299 HA CYS 41 HA CYS 41 14.228 13.976 4.876
300 HB2 CYS 41 HB2 CYS 41 13.269 11.823 4.443
301 HB3 CYS 41 HB3 CYS 41 13.256 12.113 2.707
302 H GLN 42 H GLN 42 13.370 14.541 1.503
303 HA GLN 42 HA GLN 42 15.937 14.707 0.421
304 HB2 GLN 42 HB2 GLN 42 13.259 15.767 -0.333
305 HB3 GLN 42 HB3 GLN 42 14.664 16.448 -1.143
306 HG2 GLN 42 HG2 GLN 42 15.283 13.932 -1.515
307 HG3 GLN 42 HG3 GLN 42 13.555 13.690 -1.261
308 HE21 GLN 42 HE21 GLN 42 14.959 13.156 -3.657
309 HE22 GLN 42 HE22 GLN 42 14.332 14.202 -4.881
310 H ASP 43 H ASP 43 14.036 17.057 2.199
311 HA ASP 43 HA ASP 43 15.714 19.291 1.649
312 HB2 ASP 43 HB2 ASP 43 13.323 19.423 2.420
313 HB3 ASP 43 HB3 ASP 43 13.872 18.923 4.017
314 H LEU 44 H LEU 44 15.538 16.928 4.270
315 HA LEU 44 HA LEU 44 17.390 18.103 6.005
316 HB2 LEU 44 HB2 LEU 44 17.038 15.142 5.622
317 HB3 LEU 44 HB3 LEU 44 17.532 15.994 7.084
318 HG LEU 44 HG LEU 44 14.782 15.954 5.846
319 HD11 LEU 44 HD11 LEU 44 15.517 15.079 8.610
320 HD12 LEU 44 HD12 LEU 44 15.714 13.986 7.240
321 HD13 LEU 44 HD13 LEU 44 14.120 14.634 7.628
322 HD21 LEU 44 HD21 LEU 44 14.516 17.134 8.285
323 HD22 LEU 44 HD22 LEU 44 14.583 17.996 6.748
324 HD23 LEU 44 HD23 LEU 44 16.042 17.816 7.723
325 H LEU 45 H LEU 45 17.899 15.593 3.528
326 HA LEU 45 HA LEU 45 20.692 15.425 3.862
327 HB2 LEU 45 HB2 LEU 45 19.085 14.844 1.380
328 HB3 LEU 45 HB3 LEU 45 20.707 14.255 1.741
329 HG LEU 45 HG LEU 45 18.308 13.544 3.415
330 HD11 LEU 45 HD11 LEU 45 19.209 12.470 0.813
331 HD12 LEU 45 HD12 LEU 45 17.601 12.502 1.536
332 HD13 LEU 45 HD13 LEU 45 18.776 11.294 2.054
333 HD21 LEU 45 HD21 LEU 45 19.695 12.227 4.588
334 HD22 LEU 45 HD22 LEU 45 20.961 13.270 3.939
335 HD23 LEU 45 HD23 LEU 45 20.599 11.730 3.158
336 H HIS 46 H HIS 46 18.675 17.665 2.163
337 HA HIS 46 HA HIS 46 20.972 18.796 0.739
338 HB2 HIS 46 HB2 HIS 46 18.005 19.012 0.430
339 HB3 HIS 46 HB3 HIS 46 19.019 20.325 -0.162
340 HD1 HIS 46 HD1 HIS 46 18.914 16.532 -0.520
341 HD2 HIS 46 HD2 HIS 46 19.766 19.949 -2.725
342 HE1 HIS 46 HE1 HIS 46 19.438 15.720 -2.842
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 0.384 -2.827 0.779
2 HA ALA 1 HA ALA 1 1.918 -1.075 -0.508
3 HB1 ALA 1 HB1 ALA 1 3.443 -1.576 1.794
4 HB2 ALA 1 HB2 ALA 1 2.161 -0.381 1.586
5 HB3 ALA 1 HB3 ALA 1 1.778 -1.987 2.207
6 H ASP 2 H ASP 2 3.558 -1.176 -1.880
7 HA ASP 2 HA ASP 2 5.451 -3.422 -1.652
8 HB2 ASP 2 HB2 ASP 2 5.006 -1.794 -4.147
9 HB3 ASP 2 HB3 ASP 2 5.749 -3.384 -3.996
10 H ASN 3 H ASN 3 7.495 -2.968 -1.165
11 HA ASN 3 HA ASN 3 8.335 -0.315 -0.625
12 HB2 ASN 3 HB2 ASN 3 9.557 -3.018 -0.512
13 HB3 ASN 3 HB3 ASN 3 10.667 -1.655 -0.622
14 HD21 ASN 3 HD21 ASN 3 10.253 -3.505 1.567
15 HD22 ASN 3 HD22 ASN 3 9.796 -2.550 2.932
16 H LYS 4 H LYS 4 8.087 0.849 -2.558
17 HA LYS 4 HA LYS 4 9.078 0.190 -5.059
18 HB2 LYS 4 HB2 LYS 4 8.947 2.955 -3.840
19 HB3 LYS 4 HB3 LYS 4 9.022 2.582 -5.558
20 HG2 LYS 4 HG2 LYS 4 6.803 1.406 -3.977
21 HG3 LYS 4 HG3 LYS 4 6.745 3.132 -4.342
22 HD2 LYS 4 HD2 LYS 4 7.348 1.192 -6.530
23 HD3 LYS 4 HD3 LYS 4 5.681 1.387 -5.983
24 HE2 LYS 4 HE2 LYS 4 7.407 3.725 -6.753
25 HE3 LYS 4 HE3 LYS 4 6.444 2.838 -7.934
26 HZ1 LYS 4 HZ1 LYS 4 5.578 4.622 -5.790
27 HZ2 LYS 4 HZ2 LYS 4 4.582 3.300 -6.143
28 HZ3 LYS 4 HZ3 LYS 4 4.955 4.425 -7.351
29 H CYS 5 H CYS 5 10.757 1.326 -2.236
30 HA CYS 5 HA CYS 5 13.103 2.299 -3.409
31 HB2 CYS 5 HB2 CYS 5 14.164 1.774 -1.208
32 HB3 CYS 5 HB3 CYS 5 12.666 2.689 -1.073
33 H GLU 6 H GLU 6 11.928 -0.920 -3.028
34 HA GLU 6 HA GLU 6 14.391 -2.308 -3.149
35 HB2 GLU 6 HB2 GLU 6 11.552 -3.085 -3.779
36 HB3 GLU 6 HB3 GLU 6 12.886 -4.207 -4.010
37 HG2 GLU 6 HG2 GLU 6 12.260 -2.858 -1.397
38 HG3 GLU 6 HG3 GLU 6 11.674 -4.457 -1.852
39 H ASN 7 H ASN 7 12.412 -0.780 -5.544
40 HA ASN 7 HA ASN 7 13.691 -2.137 -7.763
41 HB2 ASN 7 HB2 ASN 7 11.576 -0.009 -7.541
42 HB3 ASN 7 HB3 ASN 7 12.323 -0.389 -9.090
43 HD21 ASN 7 HD21 ASN 7 12.418 -2.856 -9.486
44 HD22 ASN 7 HD22 ASN 7 10.938 -3.700 -9.197
45 H SER 8 H SER 8 13.984 0.841 -5.994
46 HA SER 8 HA SER 8 16.067 1.741 -7.874
47 HB2 SER 8 HB2 SER 8 14.042 3.213 -6.258
48 HB3 SER 8 HB3 SER 8 15.615 3.977 -6.486
49 HG SER 8 HG SER 8 15.191 3.377 -8.822
50 H LEU 9 H LEU 9 18.013 1.199 -7.143
51 HA LEU 9 HA LEU 9 18.664 0.520 -4.517
52 HB2 LEU 9 HB2 LEU 9 20.886 0.401 -5.218
53 HB3 LEU 9 HB3 LEU 9 19.943 0.038 -6.662
54 HG LEU 9 HG LEU 9 20.283 2.651 -7.056
55 HD11 LEU 9 HD11 LEU 9 22.768 3.030 -6.435
56 HD12 LEU 9 HD12 LEU 9 22.465 1.820 -5.189
57 HD13 LEU 9 HD13 LEU 9 21.522 3.309 -5.219
58 HD21 LEU 9 HD21 LEU 9 20.910 0.802 -8.566
59 HD22 LEU 9 HD22 LEU 9 22.403 0.590 -7.651
60 HD23 LEU 9 HD23 LEU 9 22.113 2.092 -8.531
61 H ARG 10 H ARG 10 18.729 3.615 -6.170
62 HA ARG 10 HA ARG 10 20.171 5.011 -4.151
63 HB2 ARG 10 HB2 ARG 10 18.482 5.846 -6.488
64 HB3 ARG 10 HB3 ARG 10 19.048 7.039 -5.326
65 HG2 ARG 10 HG2 ARG 10 21.300 5.527 -5.984
66 HG3 ARG 10 HG3 ARG 10 20.449 5.800 -7.506
67 HD2 ARG 10 HD2 ARG 10 21.673 7.714 -7.446
68 HD3 ARG 10 HD3 ARG 10 20.276 8.259 -6.517
69 HE ARG 10 HE ARG 10 22.097 7.167 -4.721
70 HH11 ARG 10 HH11 ARG 10 21.900 9.850 -6.930
71 HH12 ARG 10 HH12 ARG 10 22.963 10.859 -6.005
72 HH21 ARG 10 HH21 ARG 10 23.498 8.485 -3.494
73 HH22 ARG 10 HH22 ARG 10 23.872 10.080 -4.051
74 H ARG 11 H ARG 11 16.765 4.396 -4.770
75 HA ARG 11 HA ARG 11 15.678 6.226 -2.939
76 HB2 ARG 11 HB2 ARG 11 14.325 5.108 -4.641
77 HB3 ARG 11 HB3 ARG 11 14.592 3.558 -3.855
78 HG2 ARG 11 HG2 ARG 11 12.462 4.182 -3.170
79 HG3 ARG 11 HG3 ARG 11 13.490 4.619 -1.805
80 HD2 ARG 11 HD2 ARG 11 12.281 6.543 -1.993
81 HD3 ARG 11 HD3 ARG 11 13.604 6.924 -3.094
82 HE ARG 11 HE ARG 11 11.431 5.654 -4.434
83 HH11 ARG 11 HH11 ARG 11 12.546 8.696 -3.159
84 HH12 ARG 11 HH12 ARG 11 11.589 9.650 -4.243
85 HH21 ARG 11 HH21 ARG 11 10.166 6.900 -5.867
86 HH22 ARG 11 HH22 ARG 11 10.235 8.627 -5.783
87 H GLU 12 H GLU 12 16.727 2.868 -2.552
88 HA GLU 12 HA GLU 12 15.887 2.657 0.164
89 HB2 GLU 12 HB2 GLU 12 16.118 0.637 -1.086
90 HB3 GLU 12 HB3 GLU 12 17.775 1.023 -1.527
91 HG2 GLU 12 HG2 GLU 12 18.605 0.455 0.540
92 HG3 GLU 12 HG3 GLU 12 17.060 0.712 1.348
93 H ILE 13 H ILE 13 19.086 3.057 -1.353
94 HA ILE 13 HA ILE 13 20.572 3.263 1.003
95 HB ILE 13 HB ILE 13 21.128 4.580 -1.659
96 HG12 ILE 13 HG12 ILE 13 22.341 2.026 -0.627
97 HG13 ILE 13 HG13 ILE 13 20.819 2.018 -1.512
98 HG21 ILE 13 HG21 ILE 13 22.505 5.636 -0.061
99 HG22 ILE 13 HG22 ILE 13 22.846 4.115 0.763
100 HG23 ILE 13 HG23 ILE 13 23.519 4.421 -0.838
101 HD11 ILE 13 HD11 ILE 13 22.362 1.606 -3.166
102 HD12 ILE 13 HD12 ILE 13 22.147 3.353 -3.292
103 HD13 ILE 13 HD13 ILE 13 23.560 2.695 -2.467
104 H ALA 14 H ALA 14 18.734 5.666 -0.777
105 HA ALA 14 HA ALA 14 19.737 7.936 0.613
106 HB1 ALA 14 HB1 ALA 14 18.766 8.401 -1.460
107 HB2 ALA 14 HB2 ALA 14 17.321 7.456 -1.099
108 HB3 ALA 14 HB3 ALA 14 17.589 9.000 -0.290
109 H CYS 15 H CYS 15 17.026 5.747 1.123
110 HA CYS 15 HA CYS 15 15.853 7.282 3.232
111 HB2 CYS 15 HB2 CYS 15 15.391 4.625 1.989
112 HB3 CYS 15 HB3 CYS 15 14.817 4.836 3.640
113 H GLY 16 H GLY 16 18.182 4.662 3.037
114 HA2 GLY 16 HA2 GLY 16 18.221 3.770 5.657
115 HA3 GLY 16 HA3 GLY 16 19.630 3.817 4.607
116 H GLN 17 H GLN 17 19.939 6.552 4.276
117 HA GLN 17 HA GLN 17 21.332 7.234 6.633
118 HB2 GLN 17 HB2 GLN 17 20.496 9.069 4.382
119 HB3 GLN 17 HB3 GLN 17 21.779 9.364 5.548
120 HG2 GLN 17 HG2 GLN 17 22.851 7.233 4.643
121 HG3 GLN 17 HG3 GLN 17 21.710 7.378 3.307
122 HE21 GLN 17 HE21 GLN 17 22.286 8.581 1.637
123 HE22 GLN 17 HE22 GLN 17 23.585 9.719 1.612
124 H CYS 18 H CYS 18 18.409 8.679 5.188
125 HA CYS 18 HA CYS 18 17.852 10.482 7.235
126 HB2 CYS 18 HB2 CYS 18 16.122 9.104 5.198
127 HB3 CYS 18 HB3 CYS 18 15.419 10.191 6.392
128 H ARG 19 H ARG 19 17.196 7.059 6.980
129 HA ARG 19 HA ARG 19 15.270 6.795 8.991
130 HB2 ARG 19 HB2 ARG 19 15.767 4.969 7.482
131 HB3 ARG 19 HB3 ARG 19 17.415 4.869 8.087
132 HG2 ARG 19 HG2 ARG 19 16.458 4.285 10.328
133 HG3 ARG 19 HG3 ARG 19 14.881 4.170 9.544
134 HD2 ARG 19 HD2 ARG 19 16.309 2.618 7.892
135 HD3 ARG 19 HD3 ARG 19 17.228 2.377 9.378
136 HE ARG 19 HE ARG 19 14.663 1.310 8.768
137 HH11 ARG 19 HH11 ARG 19 16.622 2.522 11.379
138 HH12 ARG 19 HH12 ARG 19 15.804 1.596 12.595
139 HH21 ARG 19 HH21 ARG 19 13.580 0.087 10.359
140 HH22 ARG 19 HH22 ARG 19 14.075 0.211 12.013
141 H ASP 20 H ASP 20 18.780 6.975 9.154
142 HA ASP 20 HA ASP 20 18.847 6.428 11.989
143 HB2 ASP 20 HB2 ASP 20 20.893 7.085 9.901
144 HB3 ASP 20 HB3 ASP 20 21.311 7.243 11.605
145 H LYS 21 H LYS 21 19.518 9.248 9.921
146 HA LYS 21 HA LYS 21 20.038 11.080 11.962
147 HB2 LYS 21 HB2 LYS 21 18.721 11.694 9.312
148 HB3 LYS 21 HB3 LYS 21 19.635 12.808 10.320
149 HG2 LYS 21 HG2 LYS 21 21.541 11.019 9.964
150 HG3 LYS 21 HG3 LYS 21 20.593 10.649 8.522
151 HD2 LYS 21 HD2 LYS 21 21.195 13.502 9.112
152 HD3 LYS 21 HD3 LYS 21 22.503 12.484 8.505
153 HE2 LYS 21 HE2 LYS 21 21.635 13.244 6.530
154 HE3 LYS 21 HE3 LYS 21 20.680 11.777 6.741
155 HZ1 LYS 21 HZ1 LYS 21 19.156 13.516 8.029
156 HZ2 LYS 21 HZ2 LYS 21 18.997 13.208 6.373
157 HZ3 LYS 21 HZ3 LYS 21 19.861 14.563 6.902
158 H VAL 22 H VAL 22 16.998 10.732 10.121
159 HA VAL 22 HA VAL 22 15.435 12.443 11.630
160 HB VAL 22 HB VAL 22 14.545 9.895 10.271
161 HG11 VAL 22 HG11 VAL 22 12.596 10.342 11.276
162 HG12 VAL 22 HG12 VAL 22 13.106 11.965 11.746
163 HG13 VAL 22 HG13 VAL 22 12.468 11.673 10.127
164 HG21 VAL 22 HG21 VAL 22 14.537 12.721 9.221
165 HG22 VAL 22 HG22 VAL 22 15.754 11.510 8.817
166 HG23 VAL 22 HG23 VAL 22 14.072 11.260 8.349
167 H LYS 23 H LYS 23 16.479 9.202 12.342
168 HA LYS 23 HA LYS 23 16.182 7.827 14.133
169 HB2 LYS 23 HB2 LYS 23 15.919 10.558 15.359
170 HB3 LYS 23 HB3 LYS 23 15.763 9.109 16.344
171 HG2 LYS 23 HG2 LYS 23 18.023 8.417 15.435
172 HG3 LYS 23 HG3 LYS 23 18.160 10.061 14.807
173 HD2 LYS 23 HD2 LYS 23 17.534 10.717 17.269
174 HD3 LYS 23 HD3 LYS 23 18.135 9.098 17.632
175 HE2 LYS 23 HE2 LYS 23 20.226 9.715 16.372
176 HE3 LYS 23 HE3 LYS 23 19.620 11.370 16.324
177 HZ1 LYS 23 HZ1 LYS 23 20.953 10.031 18.424
178 HZ2 LYS 23 HZ2 LYS 23 19.429 10.535 18.957
179 HZ3 LYS 23 HZ3 LYS 23 20.514 11.661 18.314
180 H THR 24 H THR 24 14.088 7.470 12.711
181 HA THR 24 HA THR 24 11.860 7.447 14.612
182 HB THR 24 HB THR 24 11.602 8.362 11.741
183 HG1 THR 24 HG1 THR 24 11.154 9.724 14.208
184 HG21 THR 24 HG21 THR 24 9.506 7.602 11.866
185 HG22 THR 24 HG22 THR 24 9.216 8.824 13.104
186 HG23 THR 24 HG23 THR 24 9.691 7.192 13.571
187 H ASP 25 H ASP 25 11.320 5.390 14.874
188 HA ASP 25 HA ASP 25 12.103 3.301 13.162
189 HB2 ASP 25 HB2 ASP 25 9.792 3.138 15.091
190 HB3 ASP 25 HB3 ASP 25 10.890 1.853 14.594
191 H GLY 26 H GLY 26 11.173 2.364 11.437
192 HA2 GLY 26 HA2 GLY 26 9.439 1.722 9.999
193 HA3 GLY 26 HA3 GLY 26 8.348 2.786 10.876
194 H TYR 27 H TYR 27 10.790 4.771 10.471
195 HA TYR 27 HA TYR 27 9.590 6.301 8.459
196 HB2 TYR 27 HB2 TYR 27 11.161 7.159 10.207
197 HB3 TYR 27 HB3 TYR 27 12.487 6.417 9.319
198 HD1 TYR 27 HD1 TYR 27 9.911 9.056 9.210
199 HD2 TYR 27 HD2 TYR 27 13.386 7.442 7.360
200 HE1 TYR 27 HE1 TYR 27 10.114 11.086 7.835
201 HE2 TYR 27 HE2 TYR 27 13.599 9.467 5.980
202 HH TYR 27 HH TYR 27 11.642 12.286 6.539
203 H PHE 28 H PHE 28 12.349 4.081 8.339
204 HA PHE 28 HA PHE 28 13.084 4.542 5.673
205 HB2 PHE 28 HB2 PHE 28 14.588 3.355 7.113
206 HB3 PHE 28 HB3 PHE 28 13.390 2.104 7.430
207 HD1 PHE 28 HD1 PHE 28 15.754 3.450 4.970
208 HD2 PHE 28 HD2 PHE 28 13.012 0.324 5.877
209 HE1 PHE 28 HE1 PHE 28 16.655 2.124 3.104
210 HE2 PHE 28 HE2 PHE 28 13.909 -1.008 4.013
211 HZ PHE 28 HZ PHE 28 15.733 -0.109 2.624
212 H TYR 29 H TYR 29 10.789 2.253 7.092
213 HA TYR 29 HA TYR 29 10.140 1.023 4.590
214 HB2 TYR 29 HB2 TYR 29 9.888 -0.199 6.693
215 HB3 TYR 29 HB3 TYR 29 8.690 0.966 7.246
216 HD1 TYR 29 HD1 TYR 29 9.271 -1.219 4.261
217 HD2 TYR 29 HD2 TYR 29 6.490 0.311 7.095
218 HE1 TYR 29 HE1 TYR 29 7.491 -2.571 3.236
219 HE2 TYR 29 HE2 TYR 29 4.703 -1.038 6.078
220 HH TYR 29 HH TYR 29 4.638 -3.251 4.676
221 H GLU 30 H GLU 30 9.029 3.792 6.345
222 HA GLU 30 HA GLU 30 6.503 4.026 5.020
223 HB2 GLU 30 HB2 GLU 30 7.000 5.013 7.257
224 HB3 GLU 30 HB3 GLU 30 8.073 6.162 6.470
225 HG2 GLU 30 HG2 GLU 30 6.086 7.333 6.779
226 HG3 GLU 30 HG3 GLU 30 6.052 6.850 5.084
227 H CYS 31 H CYS 31 9.565 5.836 4.769
228 HA CYS 31 HA CYS 31 8.813 7.435 2.594
229 HB2 CYS 31 HB2 CYS 31 11.201 7.865 2.302
230 HB3 CYS 31 HB3 CYS 31 10.773 7.903 4.009
231 H CYS 32 H CYS 32 9.925 4.147 2.761
232 HA CYS 32 HA CYS 32 10.826 3.789 0.137
233 HB2 CYS 32 HB2 CYS 32 9.838 2.019 2.305
234 HB3 CYS 32 HB3 CYS 32 9.828 1.351 0.676
235 H THR 33 H THR 33 7.629 4.085 1.430
236 HA THR 33 HA THR 33 6.538 3.711 -1.277
237 HB THR 33 HB THR 33 4.598 2.583 -0.460
238 HG1 THR 33 HG1 THR 33 4.608 2.070 1.916
239 HG21 THR 33 HG21 THR 33 6.919 1.362 -0.613
240 HG22 THR 33 HG22 THR 33 5.509 0.525 0.035
241 HG23 THR 33 HG23 THR 33 6.712 1.202 1.131
242 H SER 34 H SER 34 7.285 6.043 0.538
243 HA SER 34 HA SER 34 4.724 7.464 0.261
244 HB2 SER 34 HB2 SER 34 5.186 6.932 2.656
245 HB3 SER 34 HB3 SER 34 6.681 7.859 2.537
246 HG SER 34 HG SER 34 4.521 8.870 3.280
247 H ASP 35 H ASP 35 5.235 8.555 -1.582
248 HA ASP 35 HA ASP 35 7.717 9.685 -2.210
249 HB2 ASP 35 HB2 ASP 35 5.080 10.809 -3.143
250 HB3 ASP 35 HB3 ASP 35 6.620 10.788 -3.998
251 H SER 36 H SER 36 4.929 11.014 -0.504
252 HA SER 36 HA SER 36 5.806 13.681 -0.367
253 HB2 SER 36 HB2 SER 36 3.492 12.645 0.220
254 HB3 SER 36 HB3 SER 36 4.187 12.410 1.824
255 HG SER 36 HG SER 36 4.139 14.504 2.165
256 H THR 37 H THR 37 6.201 10.977 1.900
257 HA THR 37 HA THR 37 7.561 12.364 3.911
258 HB THR 37 HB THR 37 7.855 9.456 3.133
259 HG1 THR 37 HG1 THR 37 6.214 10.657 5.132
260 HG21 THR 37 HG21 THR 37 8.579 9.144 5.471
261 HG22 THR 37 HG22 THR 37 8.546 10.893 5.698
262 HG23 THR 37 HG23 THR 37 9.686 10.173 4.563
263 H PHE 38 H PHE 38 8.633 11.189 0.832
264 HA PHE 38 HA PHE 38 11.420 11.148 1.392
265 HB2 PHE 38 HB2 PHE 38 10.065 10.102 -0.595
266 HB3 PHE 38 HB3 PHE 38 10.347 11.664 -1.357
267 HD1 PHE 38 HD1 PHE 38 12.030 8.725 0.125
268 HD2 PHE 38 HD2 PHE 38 12.423 12.186 -2.321
269 HE1 PHE 38 HE1 PHE 38 14.264 7.970 -0.579
270 HE2 PHE 38 HE2 PHE 38 14.656 11.437 -3.029
271 HZ PHE 38 HZ PHE 38 15.580 9.326 -2.159
272 H LYS 39 H LYS 39 9.168 13.617 0.374
273 HA LYS 39 HA LYS 39 10.850 15.548 -0.653
274 HB2 LYS 39 HB2 LYS 39 8.408 15.898 1.094
275 HB3 LYS 39 HB3 LYS 39 9.182 17.204 0.205
276 HG2 LYS 39 HG2 LYS 39 8.723 16.025 -1.898
277 HG3 LYS 39 HG3 LYS 39 7.909 14.749 -0.990
278 HD2 LYS 39 HD2 LYS 39 6.303 16.413 -0.139
279 HD3 LYS 39 HD3 LYS 39 7.100 17.655 -1.107
280 HE2 LYS 39 HE2 LYS 39 6.358 16.748 -3.109
281 HE3 LYS 39 HE3 LYS 39 6.083 15.157 -2.401
282 HZ1 LYS 39 HZ1 LYS 39 4.450 17.061 -1.114
283 HZ2 LYS 39 HZ2 LYS 39 3.988 15.701 -2.008
284 HZ3 LYS 39 HZ3 LYS 39 4.227 17.184 -2.787
285 H LYS 40 H LYS 40 9.920 15.106 2.758
286 HA LYS 40 HA LYS 40 11.550 17.161 3.779
287 HB2 LYS 40 HB2 LYS 40 10.177 14.776 4.939
288 HB3 LYS 40 HB3 LYS 40 11.370 15.617 5.920
289 HG2 LYS 40 HG2 LYS 40 9.180 16.459 6.425
290 HG3 LYS 40 HG3 LYS 40 10.111 17.713 5.603
291 HD2 LYS 40 HD2 LYS 40 8.937 17.388 3.576
292 HD3 LYS 40 HD3 LYS 40 8.228 15.875 4.144
293 HE2 LYS 40 HE2 LYS 40 6.530 17.542 4.248
294 HE3 LYS 40 HE3 LYS 40 7.034 17.199 5.902
295 HZ1 LYS 40 HZ1 LYS 40 7.864 19.526 4.256
296 HZ2 LYS 40 HZ2 LYS 40 8.458 19.180 5.802
297 HZ3 LYS 40 HZ3 LYS 40 6.822 19.557 5.589
298 H CYS 41 H CYS 41 12.100 13.657 3.522
299 HA CYS 41 HA CYS 41 14.623 13.572 4.703
300 HB2 CYS 41 HB2 CYS 41 13.437 11.529 4.270
301 HB3 CYS 41 HB3 CYS 41 13.405 11.851 2.539
302 H GLN 42 H GLN 42 13.643 14.548 1.502
303 HA GLN 42 HA GLN 42 16.206 14.437 0.288
304 HB2 GLN 42 HB2 GLN 42 13.586 15.700 -0.382
305 HB3 GLN 42 HB3 GLN 42 15.018 16.232 -1.251
306 HG2 GLN 42 HG2 GLN 42 15.446 13.954 -1.979
307 HG3 GLN 42 HG3 GLN 42 14.041 13.391 -1.075
308 HE21 GLN 42 HE21 GLN 42 15.072 14.055 -4.061
309 HE22 GLN 42 HE22 GLN 42 13.587 14.513 -4.815
310 H ASP 43 H ASP 43 14.486 16.877 2.130
311 HA ASP 43 HA ASP 43 16.261 19.023 1.552
312 HB2 ASP 43 HB2 ASP 43 13.832 19.002 2.588
313 HB3 ASP 43 HB3 ASP 43 14.716 18.921 4.110
314 H LEU 44 H LEU 44 16.015 16.711 4.228
315 HA LEU 44 HA LEU 44 18.010 17.745 5.869
316 HB2 LEU 44 HB2 LEU 44 17.436 14.817 5.471
317 HB3 LEU 44 HB3 LEU 44 18.106 15.593 6.905
318 HG LEU 44 HG LEU 44 15.279 15.826 5.880
319 HD11 LEU 44 HD11 LEU 44 14.634 14.516 7.690
320 HD12 LEU 44 HD12 LEU 44 16.165 14.751 8.532
321 HD13 LEU 44 HD13 LEU 44 16.093 13.718 7.104
322 HD21 LEU 44 HD21 LEU 44 15.188 16.948 8.302
323 HD22 LEU 44 HD22 LEU 44 15.457 17.877 6.827
324 HD23 LEU 44 HD23 LEU 44 16.825 17.414 7.839
325 H LEU 45 H LEU 45 18.292 15.227 3.364
326 HA LEU 45 HA LEU 45 21.077 14.895 3.594
327 HB2 LEU 45 HB2 LEU 45 19.291 14.429 1.211
328 HB3 LEU 45 HB3 LEU 45 20.935 13.820 1.391
329 HG LEU 45 HG LEU 45 18.517 13.015 3.004
330 HD11 LEU 45 HD11 LEU 45 18.947 10.811 2.004
331 HD12 LEU 45 HD12 LEU 45 20.237 11.518 1.032
332 HD13 LEU 45 HD13 LEU 45 18.569 12.035 0.791
333 HD21 LEU 45 HD21 LEU 45 21.364 12.050 3.249
334 HD22 LEU 45 HD22 LEU 45 19.973 11.477 4.171
335 HD23 LEU 45 HD23 LEU 45 20.556 13.129 4.387
336 H HIS 46 H HIS 46 19.131 17.242 1.931
337 HA HIS 46 HA HIS 46 21.377 18.231 0.370
338 HB2 HIS 46 HB2 HIS 46 19.029 18.128 -0.541
339 HB3 HIS 46 HB3 HIS 46 18.603 19.410 0.588
340 HD1 HIS 46 HD1 HIS 46 18.684 21.657 -0.417
341 HD2 HIS 46 HD2 HIS 46 21.355 19.058 -2.254
342 HE1 HIS 46 HE1 HIS 46 19.756 22.988 -2.261
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 0.925 -3.576 -0.086
2 HA ALA 1 HA ALA 1 1.858 -0.914 0.138
3 HB1 ALA 1 HB1 ALA 1 3.423 -1.009 1.863
4 HB2 ALA 1 HB2 ALA 1 2.005 -1.812 2.539
5 HB3 ALA 1 HB3 ALA 1 3.363 -2.770 1.949
6 H ASP 2 H ASP 2 3.428 -0.590 -1.325
7 HA ASP 2 HA ASP 2 4.744 -2.973 -2.455
8 HB2 ASP 2 HB2 ASP 2 5.008 -1.485 -4.520
9 HB3 ASP 2 HB3 ASP 2 3.386 -2.068 -4.160
10 H ASN 3 H ASN 3 6.775 -3.121 -1.779
11 HA ASN 3 HA ASN 3 8.260 -0.915 -0.770
12 HB2 ASN 3 HB2 ASN 3 8.458 -3.509 -0.308
13 HB3 ASN 3 HB3 ASN 3 9.610 -3.438 -1.638
14 HD21 ASN 3 HD21 ASN 3 10.540 -4.230 0.723
15 HD22 ASN 3 HD22 ASN 3 11.506 -3.002 1.461
16 H LYS 4 H LYS 4 8.281 0.613 -2.462
17 HA LYS 4 HA LYS 4 9.179 0.127 -5.073
18 HB2 LYS 4 HB2 LYS 4 9.397 2.697 -3.493
19 HB3 LYS 4 HB3 LYS 4 9.467 2.546 -5.244
20 HG2 LYS 4 HG2 LYS 4 7.062 1.534 -3.812
21 HG3 LYS 4 HG3 LYS 4 7.262 3.273 -4.035
22 HD2 LYS 4 HD2 LYS 4 7.419 1.265 -6.278
23 HD3 LYS 4 HD3 LYS 4 5.944 2.125 -5.832
24 HE2 LYS 4 HE2 LYS 4 6.617 3.688 -7.282
25 HE3 LYS 4 HE3 LYS 4 7.782 4.151 -6.043
26 HZ1 LYS 4 HZ1 LYS 4 8.856 2.005 -7.464
27 HZ2 LYS 4 HZ2 LYS 4 9.398 3.607 -7.431
28 HZ3 LYS 4 HZ3 LYS 4 8.280 3.116 -8.602
29 H CYS 5 H CYS 5 10.898 0.579 -2.095
30 HA CYS 5 HA CYS 5 13.392 1.398 -3.037
31 HB2 CYS 5 HB2 CYS 5 12.551 -0.233 -0.651
32 HB3 CYS 5 HB3 CYS 5 14.247 0.126 -0.963
33 H GLU 6 H GLU 6 11.788 -1.641 -3.299
34 HA GLU 6 HA GLU 6 14.092 -3.265 -3.702
35 HB2 GLU 6 HB2 GLU 6 11.156 -3.602 -4.202
36 HB3 GLU 6 HB3 GLU 6 12.294 -4.770 -4.859
37 HG2 GLU 6 HG2 GLU 6 12.100 -4.036 -1.949
38 HG3 GLU 6 HG3 GLU 6 11.315 -5.431 -2.687
39 H ASN 7 H ASN 7 12.196 -1.187 -5.731
40 HA ASN 7 HA ASN 7 13.386 -2.252 -8.170
41 HB2 ASN 7 HB2 ASN 7 10.932 -1.499 -7.929
42 HB3 ASN 7 HB3 ASN 7 11.566 0.142 -8.007
43 HD21 ASN 7 HD21 ASN 7 10.732 0.724 -9.939
44 HD22 ASN 7 HD22 ASN 7 11.158 -0.017 -11.441
45 H SER 8 H SER 8 13.635 0.479 -6.019
46 HA SER 8 HA SER 8 15.748 1.601 -7.742
47 HB2 SER 8 HB2 SER 8 13.872 3.144 -7.573
48 HB3 SER 8 HB3 SER 8 13.909 3.040 -5.813
49 HG SER 8 HG SER 8 14.985 4.907 -6.600
50 H LEU 9 H LEU 9 17.705 1.243 -6.954
51 HA LEU 9 HA LEU 9 18.183 0.390 -4.289
52 HB2 LEU 9 HB2 LEU 9 20.404 0.153 -4.903
53 HB3 LEU 9 HB3 LEU 9 19.534 -0.094 -6.416
54 HG LEU 9 HG LEU 9 20.038 2.516 -6.658
55 HD11 LEU 9 HD11 LEU 9 22.112 1.453 -4.773
56 HD12 LEU 9 HD12 LEU 9 21.198 2.958 -4.685
57 HD13 LEU 9 HD13 LEU 9 22.470 2.769 -5.891
58 HD21 LEU 9 HD21 LEU 9 22.117 1.830 -7.904
59 HD22 LEU 9 HD22 LEU 9 20.645 0.961 -8.341
60 HD23 LEU 9 HD23 LEU 9 21.846 0.196 -7.299
61 H ARG 10 H ARG 10 18.318 3.484 -5.911
62 HA ARG 10 HA ARG 10 19.803 4.880 -3.952
63 HB2 ARG 10 HB2 ARG 10 18.058 5.624 -6.242
64 HB3 ARG 10 HB3 ARG 10 18.368 6.859 -5.030
65 HG2 ARG 10 HG2 ARG 10 20.767 5.444 -5.909
66 HG3 ARG 10 HG3 ARG 10 19.942 6.331 -7.192
67 HD2 ARG 10 HD2 ARG 10 20.837 7.456 -4.540
68 HD3 ARG 10 HD3 ARG 10 21.618 7.724 -6.098
69 HE ARG 10 HE ARG 10 19.229 8.994 -5.108
70 HH11 ARG 10 HH11 ARG 10 21.098 8.162 -7.925
71 HH12 ARG 10 HH12 ARG 10 20.419 9.419 -8.907
72 HH21 ARG 10 HH21 ARG 10 18.328 10.652 -6.390
73 HH22 ARG 10 HH22 ARG 10 18.845 10.835 -8.033
74 H ARG 11 H ARG 11 16.391 4.142 -4.309
75 HA ARG 11 HA ARG 11 15.370 5.925 -2.396
76 HB2 ARG 11 HB2 ARG 11 14.199 4.304 -4.133
77 HB3 ARG 11 HB3 ARG 11 14.131 3.232 -2.741
78 HG2 ARG 11 HG2 ARG 11 12.084 4.374 -2.761
79 HG3 ARG 11 HG3 ARG 11 13.039 5.146 -1.494
80 HD2 ARG 11 HD2 ARG 11 12.128 6.948 -2.644
81 HD3 ARG 11 HD3 ARG 11 13.742 6.802 -3.339
82 HE ARG 11 HE ARG 11 12.239 5.309 -5.006
83 HH11 ARG 11 HH11 ARG 11 11.898 8.545 -3.768
84 HH12 ARG 11 HH12 ARG 11 11.069 9.134 -5.170
85 HH21 ARG 11 HH21 ARG 11 11.149 6.073 -6.859
86 HH22 ARG 11 HH22 ARG 11 10.643 7.728 -6.927
87 H GLU 12 H GLU 12 16.625 2.633 -2.098
88 HA GLU 12 HA GLU 12 15.999 2.376 0.673
89 HB2 GLU 12 HB2 GLU 12 16.245 0.367 -0.583
90 HB3 GLU 12 HB3 GLU 12 17.831 0.847 -1.168
91 HG2 GLU 12 HG2 GLU 12 17.495 0.598 1.759
92 HG3 GLU 12 HG3 GLU 12 17.488 -0.890 0.813
93 H ILE 13 H ILE 13 19.046 2.958 -1.077
94 HA ILE 13 HA ILE 13 20.688 3.248 1.166
95 HB ILE 13 HB ILE 13 20.968 4.558 -1.541
96 HG12 ILE 13 HG12 ILE 13 22.163 2.007 -0.436
97 HG13 ILE 13 HG13 ILE 13 20.864 2.097 -1.620
98 HG21 ILE 13 HG21 ILE 13 22.987 4.169 0.664
99 HG22 ILE 13 HG22 ILE 13 23.358 4.739 -0.962
100 HG23 ILE 13 HG23 ILE 13 22.329 5.704 0.097
101 HD11 ILE 13 HD11 ILE 13 22.498 3.370 -3.083
102 HD12 ILE 13 HD12 ILE 13 23.746 2.844 -1.954
103 HD13 ILE 13 HD13 ILE 13 22.804 1.650 -2.846
104 H ALA 14 H ALA 14 18.686 5.587 -0.549
105 HA ALA 14 HA ALA 14 19.638 7.876 0.844
106 HB1 ALA 14 HB1 ALA 14 18.617 8.317 -1.213
107 HB2 ALA 14 HB2 ALA 14 17.203 7.336 -0.825
108 HB3 ALA 14 HB3 ALA 14 17.451 8.884 -0.017
109 H CYS 15 H CYS 15 16.844 5.737 1.280
110 HA CYS 15 HA CYS 15 15.696 7.166 3.433
111 HB2 CYS 15 HB2 CYS 15 15.367 4.450 2.256
112 HB3 CYS 15 HB3 CYS 15 14.741 4.716 3.880
113 H GLY 16 H GLY 16 18.192 4.722 3.240
114 HA2 GLY 16 HA2 GLY 16 18.265 3.852 5.886
115 HA3 GLY 16 HA3 GLY 16 19.655 3.916 4.813
116 H GLN 17 H GLN 17 19.921 6.628 4.411
117 HA GLN 17 HA GLN 17 21.302 7.416 6.738
118 HB2 GLN 17 HB2 GLN 17 20.406 9.236 4.503
119 HB3 GLN 17 HB3 GLN 17 21.772 9.466 5.587
120 HG2 GLN 17 HG2 GLN 17 22.836 7.464 4.607
121 HG3 GLN 17 HG3 GLN 17 21.499 7.352 3.464
122 HE21 GLN 17 HE21 GLN 17 22.276 7.909 1.555
123 HE22 GLN 17 HE22 GLN 17 23.213 9.320 1.217
124 H CYS 18 H CYS 18 18.361 8.793 5.260
125 HA CYS 18 HA CYS 18 17.775 10.617 7.282
126 HB2 CYS 18 HB2 CYS 18 16.094 9.208 5.230
127 HB3 CYS 18 HB3 CYS 18 15.341 10.258 6.427
128 H ARG 19 H ARG 19 17.152 7.185 7.066
129 HA ARG 19 HA ARG 19 15.216 6.922 9.063
130 HB2 ARG 19 HB2 ARG 19 15.776 5.087 7.572
131 HB3 ARG 19 HB3 ARG 19 17.402 5.007 8.237
132 HG2 ARG 19 HG2 ARG 19 16.338 4.473 10.460
133 HG3 ARG 19 HG3 ARG 19 14.819 4.281 9.583
134 HD2 ARG 19 HD2 ARG 19 15.492 2.134 9.428
135 HD3 ARG 19 HD3 ARG 19 16.433 2.749 8.070
136 HE ARG 19 HE ARG 19 18.102 3.088 10.163
137 HH11 ARG 19 HH11 ARG 19 16.267 0.368 9.001
138 HH12 ARG 19 HH12 ARG 19 17.402 -0.809 9.574
139 HH21 ARG 19 HH21 ARG 19 19.604 1.548 10.923
140 HH22 ARG 19 HH22 ARG 19 19.299 -0.136 10.668
141 H ASP 20 H ASP 20 18.720 7.157 9.260
142 HA ASP 20 HA ASP 20 18.766 6.655 12.103
143 HB2 ASP 20 HB2 ASP 20 20.668 5.931 10.799
144 HB3 ASP 20 HB3 ASP 20 20.912 7.560 10.175
145 H LYS 21 H LYS 21 19.462 9.453 10.011
146 HA LYS 21 HA LYS 21 19.920 11.322 12.022
147 HB2 LYS 21 HB2 LYS 21 18.779 11.676 9.248
148 HB3 LYS 21 HB3 LYS 21 19.234 13.018 10.290
149 HG2 LYS 21 HG2 LYS 21 21.240 10.893 9.723
150 HG3 LYS 21 HG3 LYS 21 20.884 12.097 8.482
151 HD2 LYS 21 HD2 LYS 21 22.569 13.178 9.577
152 HD3 LYS 21 HD3 LYS 21 21.196 13.756 10.524
153 HE2 LYS 21 HE2 LYS 21 21.703 12.417 12.325
154 HE3 LYS 21 HE3 LYS 21 22.557 11.231 11.338
155 HZ1 LYS 21 HZ1 LYS 21 24.036 12.569 12.760
156 HZ2 LYS 21 HZ2 LYS 21 23.564 13.962 11.925
157 HZ3 LYS 21 HZ3 LYS 21 24.395 12.731 11.115
158 H VAL 22 H VAL 22 16.896 10.869 10.177
159 HA VAL 22 HA VAL 22 15.299 12.592 11.648
160 HB VAL 22 HB VAL 22 14.459 10.019 10.304
161 HG11 VAL 22 HG11 VAL 22 12.371 11.817 10.150
162 HG12 VAL 22 HG12 VAL 22 12.475 10.432 11.239
163 HG13 VAL 22 HG13 VAL 22 12.979 12.030 11.791
164 HG21 VAL 22 HG21 VAL 22 14.098 11.261 8.341
165 HG22 VAL 22 HG22 VAL 22 14.262 12.802 9.184
166 HG23 VAL 22 HG23 VAL 22 15.678 11.783 8.926
167 H LYS 23 H LYS 23 16.421 9.402 12.426
168 HA LYS 23 HA LYS 23 16.140 8.046 14.234
169 HB2 LYS 23 HB2 LYS 23 15.685 10.768 15.440
170 HB3 LYS 23 HB3 LYS 23 15.668 9.306 16.418
171 HG2 LYS 23 HG2 LYS 23 17.989 8.903 15.232
172 HG3 LYS 23 HG3 LYS 23 17.935 10.658 15.060
173 HD2 LYS 23 HD2 LYS 23 17.584 10.870 17.483
174 HD3 LYS 23 HD3 LYS 23 17.674 9.115 17.641
175 HE2 LYS 23 HE2 LYS 23 19.938 9.060 17.209
176 HE3 LYS 23 HE3 LYS 23 19.911 10.582 16.319
177 HZ1 LYS 23 HZ1 LYS 23 20.885 10.441 18.729
178 HZ2 LYS 23 HZ2 LYS 23 19.265 10.633 19.176
179 HZ3 LYS 23 HZ3 LYS 23 20.024 11.805 18.221
180 H THR 24 H THR 24 14.040 7.764 12.677
181 HA THR 24 HA THR 24 11.779 7.642 14.552
182 HB THR 24 HB THR 24 11.594 8.444 11.642
183 HG1 THR 24 HG1 THR 24 10.689 10.379 12.661
184 HG21 THR 24 HG21 THR 24 9.154 8.802 12.275
185 HG22 THR 24 HG22 THR 24 9.487 7.816 13.699
186 HG23 THR 24 HG23 THR 24 9.681 7.130 12.086
187 H ASP 25 H ASP 25 11.295 5.581 14.874
188 HA ASP 25 HA ASP 25 12.195 3.463 13.244
189 HB2 ASP 25 HB2 ASP 25 10.714 2.044 14.644
190 HB3 ASP 25 HB3 ASP 25 11.742 3.108 15.599
191 H GLY 26 H GLY 26 11.316 2.440 11.542
192 HA2 GLY 26 HA2 GLY 26 9.612 1.678 10.125
193 HA3 GLY 26 HA3 GLY 26 8.479 2.733 10.955
194 H TYR 27 H TYR 27 10.793 4.825 10.518
195 HA TYR 27 HA TYR 27 9.576 6.236 8.452
196 HB2 TYR 27 HB2 TYR 27 11.157 7.170 10.165
197 HB3 TYR 27 HB3 TYR 27 12.482 6.455 9.254
198 HD1 TYR 27 HD1 TYR 27 9.735 8.936 9.060
199 HD2 TYR 27 HD2 TYR 27 13.383 7.546 7.366
200 HE1 TYR 27 HE1 TYR 27 9.837 10.945 7.645
201 HE2 TYR 27 HE2 TYR 27 13.494 9.552 5.947
202 HH TYR 27 HH TYR 27 11.596 12.274 6.459
203 H PHE 28 H PHE 28 12.491 4.202 8.363
204 HA PHE 28 HA PHE 28 13.200 4.554 5.714
205 HB2 PHE 28 HB2 PHE 28 14.660 3.347 7.185
206 HB3 PHE 28 HB3 PHE 28 13.436 2.117 7.483
207 HD1 PHE 28 HD1 PHE 28 12.939 0.425 5.806
208 HD2 PHE 28 HD2 PHE 28 15.985 3.332 5.184
209 HE1 PHE 28 HE1 PHE 28 13.847 -0.927 3.962
210 HE2 PHE 28 HE2 PHE 28 16.897 1.986 3.338
211 HZ PHE 28 HZ PHE 28 15.828 -0.146 2.724
212 H TYR 29 H TYR 29 10.911 2.222 7.094
213 HA TYR 29 HA TYR 29 10.254 1.068 4.558
214 HB2 TYR 29 HB2 TYR 29 10.007 -0.302 6.512
215 HB3 TYR 29 HB3 TYR 29 8.954 0.882 7.279
216 HD1 TYR 29 HD1 TYR 29 9.119 -1.216 4.190
217 HD2 TYR 29 HD2 TYR 29 6.673 0.526 7.203
218 HE1 TYR 29 HE1 TYR 29 7.157 -2.362 3.251
219 HE2 TYR 29 HE2 TYR 29 4.703 -0.617 6.274
220 HH TYR 29 HH TYR 29 3.912 -1.784 4.514
221 H GLU 30 H GLU 30 9.174 3.796 6.367
222 HA GLU 30 HA GLU 30 6.601 4.033 5.137
223 HB2 GLU 30 HB2 GLU 30 7.200 5.020 7.356
224 HB3 GLU 30 HB3 GLU 30 8.221 6.178 6.516
225 HG2 GLU 30 HG2 GLU 30 6.276 7.365 6.863
226 HG3 GLU 30 HG3 GLU 30 6.086 6.783 5.210
227 H CYS 31 H CYS 31 9.651 5.843 4.768
228 HA CYS 31 HA CYS 31 8.794 7.413 2.597
229 HB2 CYS 31 HB2 CYS 31 11.230 7.804 2.212
230 HB3 CYS 31 HB3 CYS 31 10.727 8.074 3.878
231 H CYS 32 H CYS 32 10.017 4.168 2.792
232 HA CYS 32 HA CYS 32 10.886 3.805 0.156
233 HB2 CYS 32 HB2 CYS 32 10.009 2.033 2.369
234 HB3 CYS 32 HB3 CYS 32 9.990 1.340 0.750
235 H THR 33 H THR 33 7.715 4.073 1.484
236 HA THR 33 HA THR 33 6.584 3.570 -1.184
237 HB THR 33 HB THR 33 4.692 2.419 -0.302
238 HG1 THR 33 HG1 THR 33 4.100 2.622 1.725
239 HG21 THR 33 HG21 THR 33 5.723 0.441 0.003
240 HG22 THR 33 HG22 THR 33 6.633 1.023 1.397
241 HG23 THR 33 HG23 THR 33 7.208 1.360 -0.235
242 H SER 34 H SER 34 7.308 5.979 0.538
243 HA SER 34 HA SER 34 4.715 7.336 0.244
244 HB2 SER 34 HB2 SER 34 5.209 6.870 2.653
245 HB3 SER 34 HB3 SER 34 6.668 7.849 2.500
246 HG SER 34 HG SER 34 4.049 8.623 2.734
247 H ASP 35 H ASP 35 5.090 8.532 -1.529
248 HA ASP 35 HA ASP 35 7.587 9.659 -2.224
249 HB2 ASP 35 HB2 ASP 35 4.789 10.327 -3.159
250 HB3 ASP 35 HB3 ASP 35 6.258 10.970 -3.889
251 H SER 36 H SER 36 4.825 10.868 -0.430
252 HA SER 36 HA SER 36 5.598 13.591 -0.386
253 HB2 SER 36 HB2 SER 36 4.028 12.350 1.848
254 HB3 SER 36 HB3 SER 36 3.823 13.925 1.082
255 HG SER 36 HG SER 36 2.189 12.607 0.356
256 H THR 37 H THR 37 6.153 10.895 1.840
257 HA THR 37 HA THR 37 7.455 12.368 3.855
258 HB THR 37 HB THR 37 7.815 9.453 3.134
259 HG1 THR 37 HG1 THR 37 6.239 9.159 4.790
260 HG21 THR 37 HG21 THR 37 8.406 9.311 5.607
261 HG22 THR 37 HG22 THR 37 8.595 11.064 5.555
262 HG23 THR 37 HG23 THR 37 9.615 10.036 4.548
263 H PHE 38 H PHE 38 8.533 11.153 0.793
264 HA PHE 38 HA PHE 38 11.320 11.158 1.323
265 HB2 PHE 38 HB2 PHE 38 9.934 10.123 -0.664
266 HB3 PHE 38 HB3 PHE 38 10.247 11.682 -1.420
267 HD1 PHE 38 HD1 PHE 38 11.872 8.709 0.058
268 HD2 PHE 38 HD2 PHE 38 12.335 12.172 -2.373
269 HE1 PHE 38 HE1 PHE 38 14.095 7.918 -0.639
270 HE2 PHE 38 HE2 PHE 38 14.558 11.387 -3.075
271 HZ PHE 38 HZ PHE 38 15.442 9.258 -2.207
272 H LYS 39 H LYS 39 9.041 13.603 0.285
273 HA LYS 39 HA LYS 39 10.728 15.550 -0.715
274 HB2 LYS 39 HB2 LYS 39 8.032 15.398 0.168
275 HB3 LYS 39 HB3 LYS 39 8.750 16.820 0.914
276 HG2 LYS 39 HG2 LYS 39 9.620 17.246 -1.536
277 HG3 LYS 39 HG3 LYS 39 8.237 16.232 -1.951
278 HD2 LYS 39 HD2 LYS 39 6.715 17.728 -0.923
279 HD3 LYS 39 HD3 LYS 39 8.017 18.621 -0.133
280 HE2 LYS 39 HE2 LYS 39 8.815 19.382 -2.318
281 HE3 LYS 39 HE3 LYS 39 7.517 18.486 -3.106
282 HZ1 LYS 39 HZ1 LYS 39 5.903 19.880 -2.027
283 HZ2 LYS 39 HZ2 LYS 39 7.014 20.858 -2.844
284 HZ3 LYS 39 HZ3 LYS 39 7.109 20.695 -1.163
285 H LYS 40 H LYS 40 9.763 15.029 2.669
286 HA LYS 40 HA LYS 40 11.293 17.140 3.743
287 HB2 LYS 40 HB2 LYS 40 10.087 14.644 4.902
288 HB3 LYS 40 HB3 LYS 40 11.100 15.692 5.888
289 HG2 LYS 40 HG2 LYS 40 8.935 16.410 6.335
290 HG3 LYS 40 HG3 LYS 40 9.535 17.580 5.158
291 HD2 LYS 40 HD2 LYS 40 8.275 16.637 3.415
292 HD3 LYS 40 HD3 LYS 40 7.981 15.150 4.319
293 HE2 LYS 40 HE2 LYS 40 6.482 16.253 5.800
294 HE3 LYS 40 HE3 LYS 40 6.939 17.839 5.183
295 HZ1 LYS 40 HZ1 LYS 40 5.109 15.875 4.072
296 HZ2 LYS 40 HZ2 LYS 40 6.088 16.681 2.952
297 HZ3 LYS 40 HZ3 LYS 40 5.074 17.564 3.979
298 H CYS 41 H CYS 41 11.957 13.650 3.519
299 HA CYS 41 HA CYS 41 14.468 13.655 4.720
300 HB2 CYS 41 HB2 CYS 41 13.355 11.572 4.288
301 HB3 CYS 41 HB3 CYS 41 13.330 11.882 2.555
302 H GLN 42 H GLN 42 13.505 14.501 1.464
303 HA GLN 42 HA GLN 42 16.044 14.464 0.254
304 HB2 GLN 42 HB2 GLN 42 13.441 15.801 -0.354
305 HB3 GLN 42 HB3 GLN 42 14.876 16.286 -1.247
306 HG2 GLN 42 HG2 GLN 42 15.189 13.798 -1.736
307 HG3 GLN 42 HG3 GLN 42 13.525 13.614 -1.183
308 HE21 GLN 42 HE21 GLN 42 15.413 14.032 -3.830
309 HE22 GLN 42 HE22 GLN 42 14.252 14.710 -4.915
310 H ASP 43 H ASP 43 14.325 16.951 2.065
311 HA ASP 43 HA ASP 43 16.176 19.041 1.550
312 HB2 ASP 43 HB2 ASP 43 13.790 19.296 2.377
313 HB3 ASP 43 HB3 ASP 43 14.378 18.812 3.965
314 H LEU 44 H LEU 44 15.918 16.571 4.040
315 HA LEU 44 HA LEU 44 17.814 17.581 5.838
316 HB2 LEU 44 HB2 LEU 44 17.232 14.683 5.256
317 HB3 LEU 44 HB3 LEU 44 17.944 15.342 6.727
318 HG LEU 44 HG LEU 44 15.108 15.732 5.776
319 HD11 LEU 44 HD11 LEU 44 15.857 14.453 8.352
320 HD12 LEU 44 HD12 LEU 44 16.009 13.511 6.869
321 HD13 LEU 44 HD13 LEU 44 14.447 14.192 7.325
322 HD21 LEU 44 HD21 LEU 44 14.953 16.697 8.181
323 HD22 LEU 44 HD22 LEU 44 15.551 17.717 6.873
324 HD23 LEU 44 HD23 LEU 44 16.686 16.965 7.995
325 H LEU 45 H LEU 45 18.210 15.215 3.205
326 HA LEU 45 HA LEU 45 21.033 15.022 3.524
327 HB2 LEU 45 HB2 LEU 45 19.284 14.294 1.180
328 HB3 LEU 45 HB3 LEU 45 20.973 13.830 1.374
329 HG LEU 45 HG LEU 45 18.722 12.965 3.189
330 HD11 LEU 45 HD11 LEU 45 18.238 11.723 1.350
331 HD12 LEU 45 HD12 LEU 45 19.502 10.705 2.039
332 HD13 LEU 45 HD13 LEU 45 19.882 11.809 0.718
333 HD21 LEU 45 HD21 LEU 45 21.021 11.301 3.296
334 HD22 LEU 45 HD22 LEU 45 20.305 12.276 4.580
335 HD23 LEU 45 HD23 LEU 45 21.538 12.972 3.527
336 H HIS 46 H HIS 46 18.921 17.138 1.764
337 HA HIS 46 HA HIS 46 21.220 18.322 0.365
338 HB2 HIS 46 HB2 HIS 46 19.023 17.552 -0.833
339 HB3 HIS 46 HB3 HIS 46 18.374 19.067 -0.213
340 HD1 HIS 46 HD1 HIS 46 21.384 20.392 -0.692
341 HD2 HIS 46 HD2 HIS 46 18.790 18.673 -3.445
342 HE1 HIS 46 HE1 HIS 46 22.032 21.359 -2.921
Start of MODEL 21
1 H1 ALA 1 H1 ALA 1 -0.030 -0.570 -0.290
2 HA ALA 1 HA ALA 1 1.586 1.351 -1.781
3 HB1 ALA 1 HB1 ALA 1 3.098 0.923 0.510
4 HB2 ALA 1 HB2 ALA 1 2.261 2.408 0.056
5 HB3 ALA 1 HB3 ALA 1 1.467 1.234 1.105
6 H ASP 2 H ASP 2 3.817 0.598 -2.102
7 HA ASP 2 HA ASP 2 4.293 -2.235 -1.629
8 HB2 ASP 2 HB2 ASP 2 3.932 -1.008 -4.347
9 HB3 ASP 2 HB3 ASP 2 4.985 -2.403 -4.130
10 H ASN 3 H ASN 3 6.415 -2.720 -1.388
11 HA ASN 3 HA ASN 3 8.271 -0.722 -0.861
12 HB2 ASN 3 HB2 ASN 3 8.268 -3.263 -0.254
13 HB3 ASN 3 HB3 ASN 3 9.165 -3.442 -1.759
14 HD21 ASN 3 HD21 ASN 3 10.899 -4.215 -0.439
15 HD22 ASN 3 HD22 ASN 3 11.935 -3.095 0.372
16 H LYS 4 H LYS 4 9.044 0.715 -2.255
17 HA LYS 4 HA LYS 4 9.442 -0.028 -5.050
18 HB2 LYS 4 HB2 LYS 4 9.843 2.697 -3.824
19 HB3 LYS 4 HB3 LYS 4 9.587 2.303 -5.519
20 HG2 LYS 4 HG2 LYS 4 7.543 1.920 -3.341
21 HG3 LYS 4 HG3 LYS 4 7.610 3.303 -4.436
22 HD2 LYS 4 HD2 LYS 4 7.554 0.555 -5.590
23 HD3 LYS 4 HD3 LYS 4 6.059 1.238 -4.947
24 HE2 LYS 4 HE2 LYS 4 6.199 3.108 -6.437
25 HE3 LYS 4 HE3 LYS 4 7.811 2.629 -6.966
26 HZ1 LYS 4 HZ1 LYS 4 5.280 1.773 -7.930
27 HZ2 LYS 4 HZ2 LYS 4 6.205 0.447 -7.435
28 HZ3 LYS 4 HZ3 LYS 4 6.817 1.520 -8.590
29 H CYS 5 H CYS 5 11.237 0.800 -2.179
30 HA CYS 5 HA CYS 5 13.709 1.455 -3.281
31 HB2 CYS 5 HB2 CYS 5 13.046 0.039 -0.694
32 HB3 CYS 5 HB3 CYS 5 14.653 0.629 -1.104
33 H GLU 6 H GLU 6 12.097 -1.592 -3.057
34 HA GLU 6 HA GLU 6 14.231 -3.375 -3.156
35 HB2 GLU 6 HB2 GLU 6 12.693 -5.001 -3.897
36 HB3 GLU 6 HB3 GLU 6 11.749 -3.892 -2.913
37 HG2 GLU 6 HG2 GLU 6 11.168 -2.731 -5.119
38 HG3 GLU 6 HG3 GLU 6 11.781 -4.192 -5.891
39 H ASN 7 H ASN 7 12.828 -1.379 -5.657
40 HA ASN 7 HA ASN 7 14.613 -2.592 -7.651
41 HB2 ASN 7 HB2 ASN 7 12.322 -0.676 -8.129
42 HB3 ASN 7 HB3 ASN 7 13.210 -1.590 -9.345
43 HD21 ASN 7 HD21 ASN 7 13.313 -4.070 -8.443
44 HD22 ASN 7 HD22 ASN 7 11.734 -4.728 -8.203
45 H SER 8 H SER 8 13.897 0.350 -5.933
46 HA SER 8 HA SER 8 15.828 1.862 -7.523
47 HB2 SER 8 HB2 SER 8 14.077 2.803 -5.240
48 HB3 SER 8 HB3 SER 8 15.024 3.823 -6.322
49 HG SER 8 HG SER 8 12.601 3.291 -6.703
50 H LEU 9 H LEU 9 17.767 0.917 -6.873
51 HA LEU 9 HA LEU 9 18.567 0.371 -4.265
52 HB2 LEU 9 HB2 LEU 9 20.771 0.225 -5.090
53 HB3 LEU 9 HB3 LEU 9 19.713 -0.309 -6.394
54 HG LEU 9 HG LEU 9 19.978 2.243 -7.115
55 HD11 LEU 9 HD11 LEU 9 21.815 3.325 -6.391
56 HD12 LEU 9 HD12 LEU 9 22.763 1.845 -6.244
57 HD13 LEU 9 HD13 LEU 9 21.616 2.287 -4.979
58 HD21 LEU 9 HD21 LEU 9 20.849 1.214 -8.875
59 HD22 LEU 9 HD22 LEU 9 21.040 -0.248 -7.907
60 HD23 LEU 9 HD23 LEU 9 22.352 0.928 -7.998
61 H ARG 10 H ARG 10 18.664 3.372 -6.096
62 HA ARG 10 HA ARG 10 20.253 4.824 -4.245
63 HB2 ARG 10 HB2 ARG 10 18.516 5.516 -6.569
64 HB3 ARG 10 HB3 ARG 10 18.974 6.803 -5.461
65 HG2 ARG 10 HG2 ARG 10 21.368 6.089 -5.814
66 HG3 ARG 10 HG3 ARG 10 20.774 5.072 -7.128
67 HD2 ARG 10 HD2 ARG 10 19.636 7.262 -7.949
68 HD3 ARG 10 HD3 ARG 10 20.819 8.054 -6.908
69 HE ARG 10 HE ARG 10 22.434 7.567 -8.449
70 HH11 ARG 10 HH11 ARG 10 19.666 5.539 -9.039
71 HH12 ARG 10 HH12 ARG 10 20.297 4.884 -10.513
72 HH21 ARG 10 HH21 ARG 10 23.275 6.712 -10.389
73 HH22 ARG 10 HH22 ARG 10 22.350 5.551 -11.280
74 H ARG 11 H ARG 11 16.816 4.214 -4.552
75 HA ARG 11 HA ARG 11 15.901 6.187 -2.759
76 HB2 ARG 11 HB2 ARG 11 14.508 4.843 -4.391
77 HB3 ARG 11 HB3 ARG 11 14.605 3.507 -3.251
78 HG2 ARG 11 HG2 ARG 11 12.582 4.461 -2.713
79 HG3 ARG 11 HG3 ARG 11 13.667 5.224 -1.549
80 HD2 ARG 11 HD2 ARG 11 12.306 6.948 -2.437
81 HD3 ARG 11 HD3 ARG 11 13.894 7.129 -3.180
82 HE ARG 11 HE ARG 11 12.955 6.675 -5.217
83 HH11 ARG 11 HH11 ARG 11 10.741 5.731 -2.701
84 HH12 ARG 11 HH12 ARG 11 9.435 5.404 -3.793
85 HH21 ARG 11 HH21 ARG 11 11.244 6.247 -6.664
86 HH22 ARG 11 HH22 ARG 11 9.723 5.697 -6.047
87 H GLU 12 H GLU 12 17.096 2.916 -2.292
88 HA GLU 12 HA GLU 12 16.334 2.701 0.441
89 HB2 GLU 12 HB2 GLU 12 16.736 0.683 -0.769
90 HB3 GLU 12 HB3 GLU 12 18.346 1.211 -1.240
91 HG2 GLU 12 HG2 GLU 12 19.212 0.873 0.904
92 HG3 GLU 12 HG3 GLU 12 17.610 0.801 1.634
93 H ILE 13 H ILE 13 19.460 3.360 -1.134
94 HA ILE 13 HA ILE 13 20.997 3.726 1.144
95 HB ILE 13 HB ILE 13 21.262 5.196 -1.481
96 HG12 ILE 13 HG12 ILE 13 22.686 2.694 -0.564
97 HG13 ILE 13 HG13 ILE 13 21.249 2.673 -1.580
98 HG21 ILE 13 HG21 ILE 13 23.088 4.891 0.877
99 HG22 ILE 13 HG22 ILE 13 23.719 5.210 -0.738
100 HG23 ILE 13 HG23 ILE 13 22.617 6.359 0.020
101 HD11 ILE 13 HD11 ILE 13 22.987 2.472 -3.091
102 HD12 ILE 13 HD12 ILE 13 22.607 4.193 -3.147
103 HD13 ILE 13 HD13 ILE 13 24.003 3.628 -2.230
104 H ALA 14 H ALA 14 18.870 5.990 -0.518
105 HA ALA 14 HA ALA 14 19.635 8.282 0.980
106 HB1 ALA 14 HB1 ALA 14 17.619 7.614 -1.029
107 HB2 ALA 14 HB2 ALA 14 17.098 8.834 0.134
108 HB3 ALA 14 HB3 ALA 14 18.564 9.088 -0.813
109 H CYS 15 H CYS 15 16.945 5.981 1.257
110 HA CYS 15 HA CYS 15 15.702 7.231 3.463
111 HB2 CYS 15 HB2 CYS 15 15.514 4.589 2.116
112 HB3 CYS 15 HB3 CYS 15 14.894 4.691 3.760
113 H GLY 16 H GLY 16 18.235 4.801 3.199
114 HA2 GLY 16 HA2 GLY 16 18.323 3.886 5.822
115 HA3 GLY 16 HA3 GLY 16 19.714 3.985 4.753
116 H GLN 17 H GLN 17 19.959 6.709 4.414
117 HA GLN 17 HA GLN 17 21.330 7.450 6.764
118 HB2 GLN 17 HB2 GLN 17 20.453 9.186 4.450
119 HB3 GLN 17 HB3 GLN 17 21.655 9.620 5.658
120 HG2 GLN 17 HG2 GLN 17 23.082 7.793 4.908
121 HG3 GLN 17 HG3 GLN 17 21.875 7.339 3.707
122 HE21 GLN 17 HE21 GLN 17 21.223 9.203 2.239
123 HE22 GLN 17 HE22 GLN 17 22.512 10.177 1.628
124 H CYS 18 H CYS 18 18.372 8.811 5.307
125 HA CYS 18 HA CYS 18 17.768 10.611 7.344
126 HB2 CYS 18 HB2 CYS 18 16.208 9.266 5.193
127 HB3 CYS 18 HB3 CYS 18 15.306 10.064 6.477
128 H ARG 19 H ARG 19 17.193 7.172 7.105
129 HA ARG 19 HA ARG 19 15.271 6.868 9.111
130 HB2 ARG 19 HB2 ARG 19 15.845 5.052 7.603
131 HB3 ARG 19 HB3 ARG 19 17.477 4.989 8.255
132 HG2 ARG 19 HG2 ARG 19 16.439 4.421 10.481
133 HG3 ARG 19 HG3 ARG 19 14.914 4.219 9.616
134 HD2 ARG 19 HD2 ARG 19 16.521 2.716 8.073
135 HD3 ARG 19 HD3 ARG 19 17.337 2.529 9.625
136 HE ARG 19 HE ARG 19 14.843 1.378 8.848
137 HH11 ARG 19 HH11 ARG 19 16.655 2.589 11.563
138 HH12 ARG 19 HH12 ARG 19 15.814 1.617 12.725
139 HH21 ARG 19 HH21 ARG 19 13.729 0.093 10.368
140 HH22 ARG 19 HH22 ARG 19 14.151 0.197 12.044
141 H ASP 20 H ASP 20 18.773 7.147 9.290
142 HA ASP 20 HA ASP 20 18.843 6.622 12.128
143 HB2 ASP 20 HB2 ASP 20 20.695 6.165 10.343
144 HB3 ASP 20 HB3 ASP 20 21.112 7.856 10.604
145 H LYS 21 H LYS 21 19.492 9.447 10.057
146 HA LYS 21 HA LYS 21 19.938 11.306 12.078
147 HB2 LYS 21 HB2 LYS 21 18.651 11.787 9.384
148 HB3 LYS 21 HB3 LYS 21 19.377 13.017 10.410
149 HG2 LYS 21 HG2 LYS 21 21.049 10.701 9.591
150 HG3 LYS 21 HG3 LYS 21 20.687 11.948 8.394
151 HD2 LYS 21 HD2 LYS 21 22.564 12.875 9.275
152 HD3 LYS 21 HD3 LYS 21 21.398 13.520 10.433
153 HE2 LYS 21 HE2 LYS 21 22.946 12.656 11.875
154 HE3 LYS 21 HE3 LYS 21 21.901 11.250 11.678
155 HZ1 LYS 21 HZ1 LYS 21 23.790 11.171 9.637
156 HZ2 LYS 21 HZ2 LYS 21 23.651 10.129 10.961
157 HZ3 LYS 21 HZ3 LYS 21 24.634 11.501 11.065
158 H VAL 22 H VAL 22 16.899 10.792 10.276
159 HA VAL 22 HA VAL 22 15.295 12.487 11.785
160 HB VAL 22 HB VAL 22 14.475 9.927 10.405
161 HG11 VAL 22 HG11 VAL 22 12.515 10.305 11.416
162 HG12 VAL 22 HG12 VAL 22 12.979 11.935 11.907
163 HG13 VAL 22 HG13 VAL 22 12.347 11.647 10.286
164 HG21 VAL 22 HG21 VAL 22 14.199 12.712 9.324
165 HG22 VAL 22 HG22 VAL 22 15.660 11.761 9.063
166 HG23 VAL 22 HG23 VAL 22 14.109 11.177 8.460
167 H LYS 23 H LYS 23 16.510 9.333 12.523
168 HA LYS 23 HA LYS 23 16.260 7.937 14.305
169 HB2 LYS 23 HB2 LYS 23 15.749 10.628 15.558
170 HB3 LYS 23 HB3 LYS 23 15.785 9.151 16.511
171 HG2 LYS 23 HG2 LYS 23 18.079 8.731 15.756
172 HG3 LYS 23 HG3 LYS 23 18.039 10.236 14.834
173 HD2 LYS 23 HD2 LYS 23 17.632 11.471 16.935
174 HD3 LYS 23 HD3 LYS 23 17.773 9.954 17.827
175 HE2 LYS 23 HE2 LYS 23 20.065 9.693 17.046
176 HE3 LYS 23 HE3 LYS 23 19.926 11.177 16.103
177 HZ1 LYS 23 HZ1 LYS 23 20.687 12.215 17.895
178 HZ2 LYS 23 HZ2 LYS 23 20.512 10.846 18.873
179 HZ3 LYS 23 HZ3 LYS 23 19.204 11.894 18.644
180 H THR 24 H THR 24 14.191 7.522 12.811
181 HA THR 24 HA THR 24 11.946 7.335 14.689
182 HB THR 24 HB THR 24 11.688 8.243 11.816
183 HG1 THR 24 HG1 THR 24 11.014 9.580 14.243
184 HG21 THR 24 HG21 THR 24 9.234 8.578 12.822
185 HG22 THR 24 HG22 THR 24 9.735 7.186 13.782
186 HG23 THR 24 HG23 THR 24 9.735 7.089 12.022
187 H ASP 25 H ASP 25 11.521 5.250 14.939
188 HA ASP 25 HA ASP 25 12.453 3.215 13.234
189 HB2 ASP 25 HB2 ASP 25 11.163 1.693 14.607
190 HB3 ASP 25 HB3 ASP 25 11.920 2.902 15.641
191 H GLY 26 H GLY 26 11.604 2.241 11.490
192 HA2 GLY 26 HA2 GLY 26 9.921 1.492 10.040
193 HA3 GLY 26 HA3 GLY 26 8.763 2.495 10.902
194 H TYR 27 H TYR 27 11.022 4.655 10.556
195 HA TYR 27 HA TYR 27 9.792 6.125 8.552
196 HB2 TYR 27 HB2 TYR 27 11.397 6.992 10.284
197 HB3 TYR 27 HB3 TYR 27 12.709 6.334 9.313
198 HD1 TYR 27 HD1 TYR 27 10.085 8.905 9.476
199 HD2 TYR 27 HD2 TYR 27 13.404 7.408 7.274
200 HE1 TYR 27 HE1 TYR 27 10.136 10.979 8.156
201 HE2 TYR 27 HE2 TYR 27 13.465 9.479 5.948
202 HH TYR 27 HH TYR 27 11.213 12.145 6.599
203 H PHE 28 H PHE 28 12.712 4.108 8.347
204 HA PHE 28 HA PHE 28 13.393 4.567 5.708
205 HB2 PHE 28 HB2 PHE 28 14.867 3.302 7.114
206 HB3 PHE 28 HB3 PHE 28 13.647 2.059 7.372
207 HD1 PHE 28 HD1 PHE 28 13.134 0.438 5.631
208 HD2 PHE 28 HD2 PHE 28 16.173 3.371 5.102
209 HE1 PHE 28 HE1 PHE 28 14.025 -0.834 3.723
210 HE2 PHE 28 HE2 PHE 28 17.068 2.104 3.192
211 HZ PHE 28 HZ PHE 28 15.994 -0.001 2.500
212 H TYR 29 H TYR 29 11.112 2.187 7.016
213 HA TYR 29 HA TYR 29 10.433 1.130 4.444
214 HB2 TYR 29 HB2 TYR 29 10.230 -0.242 6.458
215 HB3 TYR 29 HB3 TYR 29 9.031 0.867 7.113
216 HD1 TYR 29 HD1 TYR 29 9.667 -1.667 4.511
217 HD2 TYR 29 HD2 TYR 29 6.747 0.772 6.415
218 HE1 TYR 29 HE1 TYR 29 7.883 -2.964 3.424
219 HE2 TYR 29 HE2 TYR 29 4.955 -0.519 5.333
220 HH TYR 29 HH TYR 29 5.631 -3.426 3.506
221 H GLU 30 H GLU 30 9.351 3.775 6.383
222 HA GLU 30 HA GLU 30 6.779 4.069 5.174
223 HB2 GLU 30 HB2 GLU 30 7.207 4.984 7.384
224 HB3 GLU 30 HB3 GLU 30 8.474 6.020 6.741
225 HG2 GLU 30 HG2 GLU 30 6.829 7.243 5.430
226 HG3 GLU 30 HG3 GLU 30 5.552 6.192 6.040
227 H CYS 31 H CYS 31 9.829 5.886 4.848
228 HA CYS 31 HA CYS 31 8.955 7.536 2.742
229 HB2 CYS 31 HB2 CYS 31 11.384 7.952 2.361
230 HB3 CYS 31 HB3 CYS 31 10.895 8.149 4.040
231 H CYS 32 H CYS 32 10.187 4.288 2.814
232 HA CYS 32 HA CYS 32 10.984 4.067 0.116
233 HB2 CYS 32 HB2 CYS 32 10.349 2.181 2.321
234 HB3 CYS 32 HB3 CYS 32 10.294 1.535 0.684
235 H THR 33 H THR 33 7.888 4.059 1.648
236 HA THR 33 HA THR 33 6.633 3.464 -0.952
237 HB THR 33 HB THR 33 4.718 2.476 0.248
238 HG1 THR 33 HG1 THR 33 5.118 3.576 2.272
239 HG21 THR 33 HG21 THR 33 6.668 1.098 -0.562
240 HG22 THR 33 HG22 THR 33 5.720 0.368 0.734
241 HG23 THR 33 HG23 THR 33 7.274 1.120 1.094
242 H SER 34 H SER 34 7.390 5.987 0.582
243 HA SER 34 HA SER 34 4.765 7.280 0.314
244 HB2 SER 34 HB2 SER 34 5.329 6.914 2.734
245 HB3 SER 34 HB3 SER 34 6.744 7.942 2.506
246 HG SER 34 HG SER 34 4.112 8.626 2.789
247 H ASP 35 H ASP 35 5.076 8.425 -1.501
248 HA ASP 35 HA ASP 35 7.542 9.553 -2.301
249 HB2 ASP 35 HB2 ASP 35 5.642 8.982 -3.833
250 HB3 ASP 35 HB3 ASP 35 4.778 10.382 -3.203
251 H SER 36 H SER 36 4.856 10.761 -0.415
252 HA SER 36 HA SER 36 5.612 13.505 -0.502
253 HB2 SER 36 HB2 SER 36 3.921 12.070 1.560
254 HB3 SER 36 HB3 SER 36 3.983 13.812 1.290
255 HG SER 36 HG SER 36 2.191 12.688 0.265
256 H THR 37 H THR 37 6.033 10.942 1.926
257 HA THR 37 HA THR 37 7.375 12.438 3.854
258 HB THR 37 HB THR 37 7.805 9.515 3.208
259 HG1 THR 37 HG1 THR 37 5.787 10.920 4.552
260 HG21 THR 37 HG21 THR 37 9.536 10.282 4.675
261 HG22 THR 37 HG22 THR 37 8.366 9.392 5.649
262 HG23 THR 37 HG23 THR 37 8.376 11.155 5.674
263 H PHE 38 H PHE 38 8.497 11.115 0.842
264 HA PHE 38 HA PHE 38 11.272 11.160 1.374
265 HB2 PHE 38 HB2 PHE 38 9.970 10.058 -0.586
266 HB3 PHE 38 HB3 PHE 38 10.124 11.631 -1.362
267 HD1 PHE 38 HD1 PHE 38 12.206 9.062 0.357
268 HD2 PHE 38 HD2 PHE 38 11.966 12.041 -2.674
269 HE1 PHE 38 HE1 PHE 38 14.462 8.453 -0.415
270 HE2 PHE 38 HE2 PHE 38 14.221 11.436 -3.452
271 HZ PHE 38 HZ PHE 38 15.471 9.640 -2.322
272 H LYS 39 H LYS 39 8.997 13.598 0.313
273 HA LYS 39 HA LYS 39 10.701 15.537 -0.687
274 HB2 LYS 39 HB2 LYS 39 8.161 15.846 0.919
275 HB3 LYS 39 HB3 LYS 39 8.967 17.179 0.102
276 HG2 LYS 39 HG2 LYS 39 8.754 15.634 -1.995
277 HG3 LYS 39 HG3 LYS 39 7.473 14.874 -1.049
278 HD2 LYS 39 HD2 LYS 39 7.612 17.842 -1.541
279 HD3 LYS 39 HD3 LYS 39 6.749 16.729 -2.606
280 HE2 LYS 39 HE2 LYS 39 5.259 16.093 -0.859
281 HE3 LYS 39 HE3 LYS 39 6.226 16.933 0.352
282 HZ1 LYS 39 HZ1 LYS 39 5.666 18.930 -1.315
283 HZ2 LYS 39 HZ2 LYS 39 4.708 18.538 0.023
284 HZ3 LYS 39 HZ3 LYS 39 4.275 17.989 -1.517
285 H LYS 40 H LYS 40 9.582 15.180 2.679
286 HA LYS 40 HA LYS 40 11.099 17.259 3.767
287 HB2 LYS 40 HB2 LYS 40 9.845 14.781 4.879
288 HB3 LYS 40 HB3 LYS 40 10.928 15.719 5.899
289 HG2 LYS 40 HG2 LYS 40 8.646 16.379 6.296
290 HG3 LYS 40 HG3 LYS 40 9.526 17.704 5.531
291 HD2 LYS 40 HD2 LYS 40 8.552 17.133 3.377
292 HD3 LYS 40 HD3 LYS 40 7.718 15.756 4.100
293 HE2 LYS 40 HE2 LYS 40 6.086 17.426 3.993
294 HE3 LYS 40 HE3 LYS 40 6.641 17.469 5.666
295 HZ1 LYS 40 HZ1 LYS 40 6.639 19.543 3.784
296 HZ2 LYS 40 HZ2 LYS 40 8.248 19.201 4.175
297 HZ3 LYS 40 HZ3 LYS 40 7.146 19.592 5.397
298 H CYS 41 H CYS 41 11.836 13.775 3.634
299 HA CYS 41 HA CYS 41 14.330 13.851 4.852
300 HB2 CYS 41 HB2 CYS 41 13.265 11.740 4.426
301 HB3 CYS 41 HB3 CYS 41 13.267 12.029 2.689
302 H GLN 42 H GLN 42 13.436 14.455 1.496
303 HA GLN 42 HA GLN 42 16.006 14.533 0.388
304 HB2 GLN 42 HB2 GLN 42 13.371 15.736 -0.365
305 HB3 GLN 42 HB3 GLN 42 14.818 16.208 -1.245
306 HG2 GLN 42 HG2 GLN 42 14.042 13.335 -0.881
307 HG3 GLN 42 HG3 GLN 42 13.426 14.317 -2.209
308 HE21 GLN 42 HE21 GLN 42 14.973 15.236 -3.683
309 HE22 GLN 42 HE22 GLN 42 16.474 14.428 -3.964
310 H ASP 43 H ASP 43 14.136 16.973 2.092
311 HA ASP 43 HA ASP 43 15.889 19.143 1.521
312 HB2 ASP 43 HB2 ASP 43 13.551 19.500 2.182
313 HB3 ASP 43 HB3 ASP 43 13.889 18.807 3.767
314 H LEU 44 H LEU 44 15.567 16.888 4.228
315 HA LEU 44 HA LEU 44 17.369 18.017 6.002
316 HB2 LEU 44 HB2 LEU 44 16.957 15.075 5.493
317 HB3 LEU 44 HB3 LEU 44 17.621 15.800 6.956
318 HG LEU 44 HG LEU 44 14.784 16.065 5.962
319 HD11 LEU 44 HD11 LEU 44 15.275 14.909 8.592
320 HD12 LEU 44 HD12 LEU 44 15.944 13.952 7.271
321 HD13 LEU 44 HD13 LEU 44 14.227 14.356 7.285
322 HD21 LEU 44 HD21 LEU 44 16.326 17.685 7.766
323 HD22 LEU 44 HD22 LEU 44 15.008 16.891 8.629
324 HD23 LEU 44 HD23 LEU 44 14.663 17.892 7.217
325 H LEU 45 H LEU 45 18.028 15.575 3.493
326 HA LEU 45 HA LEU 45 20.836 15.563 3.930
327 HB2 LEU 45 HB2 LEU 45 19.281 14.707 1.494
328 HB3 LEU 45 HB3 LEU 45 20.956 14.292 1.853
329 HG LEU 45 HG LEU 45 18.631 13.451 3.576
330 HD11 LEU 45 HD11 LEU 45 19.882 12.138 1.192
331 HD12 LEU 45 HD12 LEU 45 18.175 12.352 1.578
332 HD13 LEU 45 HD13 LEU 45 19.142 11.184 2.478
333 HD21 LEU 45 HD21 LEU 45 21.425 12.342 3.386
334 HD22 LEU 45 HD22 LEU 45 20.182 11.934 4.569
335 HD23 LEU 45 HD23 LEU 45 20.920 13.537 4.581
336 H HIS 46 H HIS 46 18.698 17.533 2.044
337 HA HIS 46 HA HIS 46 20.380 18.531 0.085
338 HB2 HIS 46 HB2 HIS 46 17.871 19.001 0.537
339 HB3 HIS 46 HB3 HIS 46 18.457 20.319 1.549
340 HD1 HIS 46 HD1 HIS 46 20.043 19.370 -1.734
341 HD2 HIS 46 HD2 HIS 46 17.659 22.366 -0.120
342 HE1 HIS 46 HE1 HIS 46 19.937 21.166 -3.492
Start of MODEL 22
1 H1 ALA 1 H1 ALA 1 -0.149 -0.449 -0.890
2 HA ALA 1 HA ALA 1 1.189 1.032 -2.951
3 HB1 ALA 1 HB1 ALA 1 1.634 1.718 -0.075
4 HB2 ALA 1 HB2 ALA 1 2.948 1.870 -1.241
5 HB3 ALA 1 HB3 ALA 1 1.459 2.786 -1.468
6 H ASP 2 H ASP 2 3.644 0.523 -2.845
7 HA ASP 2 HA ASP 2 4.157 -2.108 -1.673
8 HB2 ASP 2 HB2 ASP 2 5.266 -2.705 -3.944
9 HB3 ASP 2 HB3 ASP 2 3.517 -2.851 -3.789
10 H ASN 3 H ASN 3 6.504 -2.726 -1.933
11 HA ASN 3 HA ASN 3 8.122 -0.534 -1.057
12 HB2 ASN 3 HB2 ASN 3 8.199 -3.117 -0.454
13 HB3 ASN 3 HB3 ASN 3 9.333 -3.159 -1.800
14 HD21 ASN 3 HD21 ASN 3 10.652 -3.890 0.133
15 HD22 ASN 3 HD22 ASN 3 11.527 -2.659 0.970
16 H LYS 4 H LYS 4 8.661 0.940 -2.559
17 HA LYS 4 HA LYS 4 9.361 0.167 -5.255
18 HB2 LYS 4 HB2 LYS 4 9.508 2.886 -3.939
19 HB3 LYS 4 HB3 LYS 4 9.608 2.557 -5.664
20 HG2 LYS 4 HG2 LYS 4 7.200 1.867 -4.004
21 HG3 LYS 4 HG3 LYS 4 7.397 3.415 -4.830
22 HD2 LYS 4 HD2 LYS 4 7.642 0.802 -6.292
23 HD3 LYS 4 HD3 LYS 4 6.077 1.576 -6.033
24 HE2 LYS 4 HE2 LYS 4 6.816 3.553 -7.205
25 HE3 LYS 4 HE3 LYS 4 8.443 2.892 -7.362
26 HZ1 LYS 4 HZ1 LYS 4 6.249 1.297 -8.436
27 HZ2 LYS 4 HZ2 LYS 4 7.821 1.506 -9.022
28 HZ3 LYS 4 HZ3 LYS 4 6.656 2.705 -9.281
29 H CYS 5 H CYS 5 11.016 1.561 -2.443
30 HA CYS 5 HA CYS 5 13.530 1.933 -3.570
31 HB2 CYS 5 HB2 CYS 5 14.390 1.977 -1.328
32 HB3 CYS 5 HB3 CYS 5 12.792 2.715 -1.305
33 H GLU 6 H GLU 6 11.924 -0.979 -2.603
34 HA GLU 6 HA GLU 6 14.019 -2.718 -2.151
35 HB2 GLU 6 HB2 GLU 6 11.488 -3.147 -2.047
36 HB3 GLU 6 HB3 GLU 6 11.603 -3.508 -3.764
37 HG2 GLU 6 HG2 GLU 6 12.995 -5.368 -3.386
38 HG3 GLU 6 HG3 GLU 6 13.298 -4.897 -1.714
39 H ASN 7 H ASN 7 12.905 -1.344 -5.153
40 HA ASN 7 HA ASN 7 14.780 -3.026 -6.662
41 HB2 ASN 7 HB2 ASN 7 12.307 -1.514 -7.380
42 HB3 ASN 7 HB3 ASN 7 13.535 -1.741 -8.622
43 HD21 ASN 7 HD21 ASN 7 12.526 -3.168 -9.908
44 HD22 ASN 7 HD22 ASN 7 12.026 -4.747 -9.414
45 H SER 8 H SER 8 14.109 0.252 -5.696
46 HA SER 8 HA SER 8 16.189 1.334 -7.422
47 HB2 SER 8 HB2 SER 8 14.333 2.660 -5.432
48 HB3 SER 8 HB3 SER 8 15.518 3.522 -6.415
49 HG SER 8 HG SER 8 13.913 3.605 -7.782
50 H LEU 9 H LEU 9 18.233 1.234 -6.798
51 HA LEU 9 HA LEU 9 19.036 0.652 -4.140
52 HB2 LEU 9 HB2 LEU 9 21.222 0.652 -4.940
53 HB3 LEU 9 HB3 LEU 9 20.255 0.130 -6.318
54 HG LEU 9 HG LEU 9 20.372 2.734 -6.875
55 HD11 LEU 9 HD11 LEU 9 21.627 3.553 -5.094
56 HD12 LEU 9 HD12 LEU 9 22.807 3.383 -6.393
57 HD13 LEU 9 HD13 LEU 9 22.728 2.176 -5.110
58 HD21 LEU 9 HD21 LEU 9 22.751 1.009 -7.478
59 HD22 LEU 9 HD22 LEU 9 21.961 2.206 -8.505
60 HD23 LEU 9 HD23 LEU 9 21.164 0.668 -8.168
61 H ARG 10 H ARG 10 18.740 3.610 -5.999
62 HA ARG 10 HA ARG 10 20.160 5.276 -4.185
63 HB2 ARG 10 HB2 ARG 10 18.448 5.655 -6.566
64 HB3 ARG 10 HB3 ARG 10 18.505 7.008 -5.444
65 HG2 ARG 10 HG2 ARG 10 20.794 7.324 -5.752
66 HG3 ARG 10 HG3 ARG 10 21.014 5.717 -6.447
67 HD2 ARG 10 HD2 ARG 10 20.786 6.595 -8.473
68 HD3 ARG 10 HD3 ARG 10 19.133 7.051 -8.064
69 HE ARG 10 HE ARG 10 21.425 8.781 -8.211
70 HH11 ARG 10 HH11 ARG 10 18.251 8.333 -6.853
71 HH12 ARG 10 HH12 ARG 10 17.975 10.025 -6.606
72 HH21 ARG 10 HH21 ARG 10 21.073 11.012 -7.891
73 HH22 ARG 10 HH22 ARG 10 19.581 11.549 -7.198
74 H ARG 11 H ARG 11 16.726 4.523 -4.632
75 HA ARG 11 HA ARG 11 15.715 6.298 -2.706
76 HB2 ARG 11 HB2 ARG 11 14.324 5.169 -4.405
77 HB3 ARG 11 HB3 ARG 11 14.580 3.636 -3.582
78 HG2 ARG 11 HG2 ARG 11 12.527 4.233 -2.771
79 HG3 ARG 11 HG3 ARG 11 13.583 4.910 -1.529
80 HD2 ARG 11 HD2 ARG 11 12.099 6.644 -1.980
81 HD3 ARG 11 HD3 ARG 11 13.516 7.057 -2.945
82 HE ARG 11 HE ARG 11 11.864 5.578 -4.590
83 HH11 ARG 11 HH11 ARG 11 11.689 8.572 -2.823
84 HH12 ARG 11 HH12 ARG 11 10.591 9.317 -3.937
85 HH21 ARG 11 HH21 ARG 11 10.418 6.548 -6.065
86 HH22 ARG 11 HH22 ARG 11 9.868 8.164 -5.780
87 H GLU 12 H GLU 12 17.012 3.044 -2.448
88 HA GLU 12 HA GLU 12 16.193 2.618 0.250
89 HB2 GLU 12 HB2 GLU 12 16.871 0.866 -1.512
90 HB3 GLU 12 HB3 GLU 12 18.528 1.256 -1.072
91 HG2 GLU 12 HG2 GLU 12 17.725 0.784 1.348
92 HG3 GLU 12 HG3 GLU 12 16.404 -0.068 0.551
93 H ILE 13 H ILE 13 19.267 3.573 -1.256
94 HA ILE 13 HA ILE 13 20.749 3.787 1.122
95 HB ILE 13 HB ILE 13 21.127 5.283 -1.475
96 HG12 ILE 13 HG12 ILE 13 22.749 2.924 -0.591
97 HG13 ILE 13 HG13 ILE 13 21.173 2.660 -1.330
98 HG21 ILE 13 HG21 ILE 13 22.896 4.953 0.933
99 HG22 ILE 13 HG22 ILE 13 23.521 5.403 -0.652
100 HG23 ILE 13 HG23 ILE 13 22.359 6.447 0.166
101 HD11 ILE 13 HD11 ILE 13 23.646 3.831 -2.525
102 HD12 ILE 13 HD12 ILE 13 22.629 2.515 -3.115
103 HD13 ILE 13 HD13 ILE 13 22.060 4.182 -3.211
104 H ALA 14 H ALA 14 18.602 6.020 -0.516
105 HA ALA 14 HA ALA 14 19.334 8.336 0.960
106 HB1 ALA 14 HB1 ALA 14 17.556 7.703 -1.154
107 HB2 ALA 14 HB2 ALA 14 16.633 8.531 0.101
108 HB3 ALA 14 HB3 ALA 14 18.067 9.293 -0.587
109 H CYS 15 H CYS 15 16.826 5.872 1.361
110 HA CYS 15 HA CYS 15 15.598 7.134 3.606
111 HB2 CYS 15 HB2 CYS 15 15.376 4.473 2.265
112 HB3 CYS 15 HB3 CYS 15 14.717 4.654 3.887
113 H GLY 16 H GLY 16 18.141 4.750 3.180
114 HA2 GLY 16 HA2 GLY 16 18.304 3.757 5.784
115 HA3 GLY 16 HA3 GLY 16 19.650 3.856 4.658
116 H GLN 17 H GLN 17 19.921 6.580 4.356
117 HA GLN 17 HA GLN 17 21.377 7.258 6.683
118 HB2 GLN 17 HB2 GLN 17 20.521 8.996 4.362
119 HB3 GLN 17 HB3 GLN 17 21.712 9.444 5.576
120 HG2 GLN 17 HG2 GLN 17 22.864 7.216 4.805
121 HG3 GLN 17 HG3 GLN 17 21.918 7.494 3.343
122 HE21 GLN 17 HE21 GLN 17 24.120 7.627 2.429
123 HE22 GLN 17 HE22 GLN 17 24.910 9.163 2.435
124 H CYS 18 H CYS 18 18.442 8.720 5.279
125 HA CYS 18 HA CYS 18 17.926 10.526 7.335
126 HB2 CYS 18 HB2 CYS 18 16.251 9.215 5.235
127 HB3 CYS 18 HB3 CYS 18 15.446 10.121 6.512
128 H ARG 19 H ARG 19 17.242 7.108 7.088
129 HA ARG 19 HA ARG 19 15.327 6.821 9.085
130 HB2 ARG 19 HB2 ARG 19 15.919 4.986 7.614
131 HB3 ARG 19 HB3 ARG 19 17.549 4.941 8.273
132 HG2 ARG 19 HG2 ARG 19 16.529 4.377 10.495
133 HG3 ARG 19 HG3 ARG 19 14.987 4.194 9.655
134 HD2 ARG 19 HD2 ARG 19 16.512 2.654 8.091
135 HD3 ARG 19 HD3 ARG 19 17.402 2.482 9.603
136 HE ARG 19 HE ARG 19 14.819 1.391 8.979
137 HH11 ARG 19 HH11 ARG 19 16.947 2.423 11.534
138 HH12 ARG 19 HH12 ARG 19 16.202 1.422 12.736
139 HH21 ARG 19 HH21 ARG 19 13.829 0.070 10.552
140 HH22 ARG 19 HH22 ARG 19 14.429 0.084 12.176
141 H ASP 20 H ASP 20 18.825 7.112 9.313
142 HA ASP 20 HA ASP 20 18.853 6.621 12.158
143 HB2 ASP 20 HB2 ASP 20 20.911 7.275 10.088
144 HB3 ASP 20 HB3 ASP 20 21.299 7.528 11.787
145 H LYS 21 H LYS 21 19.425 9.420 10.039
146 HA LYS 21 HA LYS 21 19.894 11.318 12.023
147 HB2 LYS 21 HB2 LYS 21 18.519 11.769 9.368
148 HB3 LYS 21 HB3 LYS 21 19.318 12.993 10.348
149 HG2 LYS 21 HG2 LYS 21 21.431 12.223 9.826
150 HG3 LYS 21 HG3 LYS 21 20.849 10.615 9.388
151 HD2 LYS 21 HD2 LYS 21 20.208 11.269 7.291
152 HD3 LYS 21 HD3 LYS 21 19.899 12.935 7.787
153 HE2 LYS 21 HE2 LYS 21 21.822 12.960 6.386
154 HE3 LYS 21 HE3 LYS 21 22.377 13.220 8.039
155 HZ1 LYS 21 HZ1 LYS 21 23.300 11.327 6.290
156 HZ2 LYS 21 HZ2 LYS 21 22.330 10.451 7.364
157 HZ3 LYS 21 HZ3 LYS 21 23.608 11.391 7.952
158 H VAL 22 H VAL 22 16.829 10.771 10.274
159 HA VAL 22 HA VAL 22 15.238 12.448 11.818
160 HB VAL 22 HB VAL 22 14.396 9.887 10.453
161 HG11 VAL 22 HG11 VAL 22 12.429 10.289 11.425
162 HG12 VAL 22 HG12 VAL 22 12.940 11.885 11.980
163 HG13 VAL 22 HG13 VAL 22 12.302 11.680 10.348
164 HG21 VAL 22 HG21 VAL 22 15.578 11.601 9.032
165 HG22 VAL 22 HG22 VAL 22 13.944 11.181 8.516
166 HG23 VAL 22 HG23 VAL 22 14.237 12.693 9.375
167 H LYS 23 H LYS 23 16.486 9.299 12.519
168 HA LYS 23 HA LYS 23 16.260 7.882 14.289
169 HB2 LYS 23 HB2 LYS 23 15.848 10.585 15.539
170 HB3 LYS 23 HB3 LYS 23 15.787 9.121 16.512
171 HG2 LYS 23 HG2 LYS 23 18.078 8.575 15.562
172 HG3 LYS 23 HG3 LYS 23 18.108 10.240 14.974
173 HD2 LYS 23 HD2 LYS 23 17.516 10.856 17.419
174 HD3 LYS 23 HD3 LYS 23 18.085 9.228 17.795
175 HE2 LYS 23 HE2 LYS 23 20.257 9.696 17.082
176 HE3 LYS 23 HE3 LYS 23 19.749 11.108 16.158
177 HZ1 LYS 23 HZ1 LYS 23 20.559 12.177 17.950
178 HZ2 LYS 23 HZ2 LYS 23 20.343 10.863 18.992
179 HZ3 LYS 23 HZ3 LYS 23 19.029 11.853 18.597
180 H THR 24 H THR 24 14.108 7.631 12.778
181 HA THR 24 HA THR 24 11.912 7.416 14.722
182 HB THR 24 HB THR 24 11.621 8.290 11.841
183 HG1 THR 24 HG1 THR 24 12.290 9.826 13.627
184 HG21 THR 24 HG21 THR 24 9.196 8.624 12.624
185 HG22 THR 24 HG22 THR 24 9.612 7.527 13.941
186 HG23 THR 24 HG23 THR 24 9.725 6.980 12.269
187 H ASP 25 H ASP 25 11.461 5.341 15.001
188 HA ASP 25 HA ASP 25 12.352 3.271 13.320
189 HB2 ASP 25 HB2 ASP 25 11.204 1.786 14.762
190 HB3 ASP 25 HB3 ASP 25 11.715 3.125 15.786
191 H GLY 26 H GLY 26 11.473 2.258 11.608
192 HA2 GLY 26 HA2 GLY 26 9.795 1.533 10.150
193 HA3 GLY 26 HA3 GLY 26 8.641 2.536 11.017
194 H TYR 27 H TYR 27 11.023 4.620 10.596
195 HA TYR 27 HA TYR 27 9.744 6.112 8.605
196 HB2 TYR 27 HB2 TYR 27 11.326 7.008 10.332
197 HB3 TYR 27 HB3 TYR 27 12.653 6.321 9.402
198 HD1 TYR 27 HD1 TYR 27 9.980 8.865 9.381
199 HD2 TYR 27 HD2 TYR 27 13.468 7.397 7.435
200 HE1 TYR 27 HE1 TYR 27 10.075 10.911 8.019
201 HE2 TYR 27 HE2 TYR 27 13.573 9.439 6.069
202 HH TYR 27 HH TYR 27 12.274 12.152 6.715
203 H PHE 28 H PHE 28 12.691 4.127 8.427
204 HA PHE 28 HA PHE 28 13.360 4.562 5.781
205 HB2 PHE 28 HB2 PHE 28 14.859 3.343 7.201
206 HB3 PHE 28 HB3 PHE 28 13.661 2.082 7.478
207 HD1 PHE 28 HD1 PHE 28 13.173 0.430 5.758
208 HD2 PHE 28 HD2 PHE 28 16.160 3.408 5.187
209 HE1 PHE 28 HE1 PHE 28 14.085 -0.852 3.865
210 HE2 PHE 28 HE2 PHE 28 17.076 2.131 3.293
211 HZ PHE 28 HZ PHE 28 16.039 -0.002 2.631
212 H TYR 29 H TYR 29 11.137 2.143 7.121
213 HA TYR 29 HA TYR 29 10.467 1.056 4.559
214 HB2 TYR 29 HB2 TYR 29 10.274 -0.387 6.461
215 HB3 TYR 29 HB3 TYR 29 9.225 0.754 7.296
216 HD1 TYR 29 HD1 TYR 29 9.412 -1.793 4.669
217 HD2 TYR 29 HD2 TYR 29 6.875 0.935 6.725
218 HE1 TYR 29 HE1 TYR 29 7.442 -2.933 3.738
219 HE2 TYR 29 HE2 TYR 29 4.898 -0.199 5.801
220 HH TYR 29 HH TYR 29 4.879 -3.152 4.572
221 H GLU 30 H GLU 30 9.358 3.702 6.468
222 HA GLU 30 HA GLU 30 6.761 3.922 5.289
223 HB2 GLU 30 HB2 GLU 30 7.167 4.871 7.480
224 HB3 GLU 30 HB3 GLU 30 8.433 5.907 6.837
225 HG2 GLU 30 HG2 GLU 30 6.826 7.162 5.561
226 HG3 GLU 30 HG3 GLU 30 5.535 6.064 6.044
227 H CYS 31 H CYS 31 9.766 5.806 4.918
228 HA CYS 31 HA CYS 31 8.837 7.417 2.807
229 HB2 CYS 31 HB2 CYS 31 11.258 7.870 2.392
230 HB3 CYS 31 HB3 CYS 31 10.776 8.087 4.071
231 H CYS 32 H CYS 32 10.133 4.195 2.891
232 HA CYS 32 HA CYS 32 10.933 3.947 0.208
233 HB2 CYS 32 HB2 CYS 32 10.250 2.078 2.412
234 HB3 CYS 32 HB3 CYS 32 10.208 1.424 0.778
235 H THR 33 H THR 33 7.818 4.013 1.684
236 HA THR 33 HA THR 33 6.594 3.461 -0.936
237 HB THR 33 HB THR 33 4.710 2.354 0.143
238 HG1 THR 33 HG1 THR 33 6.201 2.708 2.550
239 HG21 THR 33 HG21 THR 33 7.092 1.224 -0.345
240 HG22 THR 33 HG22 THR 33 5.716 0.320 0.287
241 HG23 THR 33 HG23 THR 33 6.970 0.898 1.383
242 H SER 34 H SER 34 7.307 5.922 0.715
243 HA SER 34 HA SER 34 4.663 7.190 0.500
244 HB2 SER 34 HB2 SER 34 5.269 6.752 2.899
245 HB3 SER 34 HB3 SER 34 6.659 7.815 2.685
246 HG SER 34 HG SER 34 4.009 8.433 3.011
247 H ASP 35 H ASP 35 4.901 8.443 -1.244
248 HA ASP 35 HA ASP 35 7.340 9.603 -2.080
249 HB2 ASP 35 HB2 ASP 35 5.260 9.101 -3.489
250 HB3 ASP 35 HB3 ASP 35 4.608 10.611 -2.858
251 H SER 36 H SER 36 4.658 10.785 -0.138
252 HA SER 36 HA SER 36 5.419 13.506 -0.095
253 HB2 SER 36 HB2 SER 36 3.936 13.657 1.895
254 HB3 SER 36 HB3 SER 36 3.170 12.826 0.541
255 HG SER 36 HG SER 36 3.069 11.860 2.774
256 H THR 37 H THR 37 5.935 10.894 2.271
257 HA THR 37 HA THR 37 7.393 12.325 4.148
258 HB THR 37 HB THR 37 7.842 9.428 3.406
259 HG1 THR 37 HG1 THR 37 5.855 10.729 4.938
260 HG21 THR 37 HG21 THR 37 8.607 11.135 5.734
261 HG22 THR 37 HG22 THR 37 9.540 9.896 4.894
262 HG23 THR 37 HG23 THR 37 8.248 9.430 6.000
263 H PHE 38 H PHE 38 8.346 11.145 1.031
264 HA PHE 38 HA PHE 38 11.154 11.188 1.435
265 HB2 PHE 38 HB2 PHE 38 9.747 10.102 -0.476
266 HB3 PHE 38 HB3 PHE 38 9.891 11.681 -1.241
267 HD1 PHE 38 HD1 PHE 38 11.912 8.934 0.227
268 HD2 PHE 38 HD2 PHE 38 11.782 12.221 -2.474
269 HE1 PHE 38 HE1 PHE 38 14.129 8.308 -0.635
270 HE2 PHE 38 HE2 PHE 38 13.999 11.600 -3.341
271 HZ PHE 38 HZ PHE 38 15.176 9.642 -2.421
272 H LYS 39 H LYS 39 8.791 13.606 0.556
273 HA LYS 39 HA LYS 39 10.483 15.577 -0.479
274 HB2 LYS 39 HB2 LYS 39 7.946 15.938 1.128
275 HB3 LYS 39 HB3 LYS 39 8.704 17.168 0.125
276 HG2 LYS 39 HG2 LYS 39 7.703 14.539 -0.937
277 HG3 LYS 39 HG3 LYS 39 6.743 16.020 -0.907
278 HD2 LYS 39 HD2 LYS 39 9.456 15.958 -2.184
279 HD3 LYS 39 HD3 LYS 39 8.023 15.423 -3.065
280 HE2 LYS 39 HE2 LYS 39 8.094 18.084 -1.686
281 HE3 LYS 39 HE3 LYS 39 8.776 17.878 -3.298
282 HZ1 LYS 39 HZ1 LYS 39 6.754 17.695 -4.222
283 HZ2 LYS 39 HZ2 LYS 39 6.226 18.498 -2.830
284 HZ3 LYS 39 HZ3 LYS 39 6.105 16.814 -2.932
285 H LYS 40 H LYS 40 9.731 14.681 2.828
286 HA LYS 40 HA LYS 40 10.990 16.963 4.012
287 HB2 LYS 40 HB2 LYS 40 10.513 14.340 5.407
288 HB3 LYS 40 HB3 LYS 40 10.528 15.959 6.095
289 HG2 LYS 40 HG2 LYS 40 8.420 14.755 4.318
290 HG3 LYS 40 HG3 LYS 40 8.272 15.186 6.023
291 HD2 LYS 40 HD2 LYS 40 8.747 17.113 3.749
292 HD3 LYS 40 HD3 LYS 40 7.210 16.853 4.577
293 HE2 LYS 40 HE2 LYS 40 8.565 17.434 6.716
294 HE3 LYS 40 HE3 LYS 40 9.711 18.151 5.583
295 HZ1 LYS 40 HZ1 LYS 40 7.098 18.980 4.933
296 HZ2 LYS 40 HZ2 LYS 40 8.420 19.922 5.407
297 HZ3 LYS 40 HZ3 LYS 40 7.377 19.280 6.575
298 H CYS 41 H CYS 41 11.909 13.547 3.624
299 HA CYS 41 HA CYS 41 14.441 13.760 4.827
300 HB2 CYS 41 HB2 CYS 41 13.474 11.588 4.511
301 HB3 CYS 41 HB3 CYS 41 13.358 11.830 2.771
302 H GLN 42 H GLN 42 13.335 14.345 1.548
303 HA GLN 42 HA GLN 42 15.801 14.440 0.241
304 HB2 GLN 42 HB2 GLN 42 13.145 15.738 -0.263
305 HB3 GLN 42 HB3 GLN 42 14.529 16.139 -1.271
306 HG2 GLN 42 HG2 GLN 42 13.821 13.279 -0.840
307 HG3 GLN 42 HG3 GLN 42 12.874 14.249 -1.967
308 HE21 GLN 42 HE21 GLN 42 13.676 14.680 -3.937
309 HE22 GLN 42 HE22 GLN 42 15.233 14.179 -4.494
310 H ASP 43 H ASP 43 14.074 16.901 2.082
311 HA ASP 43 HA ASP 43 15.862 19.026 1.450
312 HB2 ASP 43 HB2 ASP 43 13.412 19.038 2.453
313 HB3 ASP 43 HB3 ASP 43 14.282 19.031 3.985
314 H LEU 44 H LEU 44 15.554 16.820 4.208
315 HA LEU 44 HA LEU 44 17.497 17.887 5.867
316 HB2 LEU 44 HB2 LEU 44 16.824 14.979 5.439
317 HB3 LEU 44 HB3 LEU 44 17.707 15.632 6.817
318 HG LEU 44 HG LEU 44 14.808 16.096 6.129
319 HD11 LEU 44 HD11 LEU 44 16.030 14.028 7.501
320 HD12 LEU 44 HD12 LEU 44 14.327 14.481 7.579
321 HD13 LEU 44 HD13 LEU 44 15.463 15.111 8.772
322 HD21 LEU 44 HD21 LEU 44 14.915 17.243 8.452
323 HD22 LEU 44 HD22 LEU 44 15.415 18.143 7.020
324 HD23 LEU 44 HD23 LEU 44 16.630 17.436 8.086
325 H LEU 45 H LEU 45 17.900 15.352 3.396
326 HA LEU 45 HA LEU 45 20.690 15.098 3.702
327 HB2 LEU 45 HB2 LEU 45 18.949 14.516 1.311
328 HB3 LEU 45 HB3 LEU 45 20.620 13.990 1.499
329 HG LEU 45 HG LEU 45 18.267 13.111 3.171
330 HD11 LEU 45 HD11 LEU 45 19.971 11.385 1.414
331 HD12 LEU 45 HD12 LEU 45 18.577 12.251 0.767
332 HD13 LEU 45 HD13 LEU 45 18.360 11.072 2.061
333 HD21 LEU 45 HD21 LEU 45 21.206 12.761 3.467
334 HD22 LEU 45 HD22 LEU 45 20.153 11.406 3.874
335 HD23 LEU 45 HD23 LEU 45 19.959 12.953 4.700
336 H HIS 46 H HIS 46 18.722 17.381 1.997
337 HA HIS 46 HA HIS 46 21.107 18.503 0.689
338 HB2 HIS 46 HB2 HIS 46 18.211 18.467 -0.016
339 HB3 HIS 46 HB3 HIS 46 19.157 19.871 -0.500
340 HD1 HIS 46 HD1 HIS 46 21.712 18.715 -1.496
341 HD2 HIS 46 HD2 HIS 46 18.042 16.900 -2.204
342 HE1 HIS 46 HE1 HIS 46 22.058 17.266 -3.522
Start of MODEL 23
1 H1 ALA 1 H1 ALA 1 0.058 -0.222 0.511
2 HA ALA 1 HA ALA 1 2.605 0.775 0.861
3 HB1 ALA 1 HB1 ALA 1 1.678 0.030 2.819
4 HB2 ALA 1 HB2 ALA 1 1.094 -1.471 2.101
5 HB3 ALA 1 HB3 ALA 1 2.806 -1.283 2.478
6 H ASP 2 H ASP 2 2.989 0.104 -1.625
7 HA ASP 2 HA ASP 2 4.254 -2.512 -1.814
8 HB2 ASP 2 HB2 ASP 2 2.818 -1.611 -3.661
9 HB3 ASP 2 HB3 ASP 2 4.035 -0.368 -3.934
10 H ASN 3 H ASN 3 6.386 -2.866 -1.725
11 HA ASN 3 HA ASN 3 8.132 -0.738 -0.942
12 HB2 ASN 3 HB2 ASN 3 8.331 -3.685 -1.240
13 HB3 ASN 3 HB3 ASN 3 9.836 -2.777 -1.354
14 HD21 ASN 3 HD21 ASN 3 7.949 -4.417 0.706
15 HD22 ASN 3 HD22 ASN 3 8.370 -3.644 2.193
16 H LYS 4 H LYS 4 8.765 0.705 -2.414
17 HA LYS 4 HA LYS 4 9.269 -0.105 -5.162
18 HB2 LYS 4 HB2 LYS 4 9.216 2.572 -3.774
19 HB3 LYS 4 HB3 LYS 4 9.723 2.386 -5.447
20 HG2 LYS 4 HG2 LYS 4 7.626 2.182 -6.183
21 HG3 LYS 4 HG3 LYS 4 7.160 1.120 -4.852
22 HD2 LYS 4 HD2 LYS 4 6.544 2.872 -3.493
23 HD3 LYS 4 HD3 LYS 4 7.618 4.016 -4.302
24 HE2 LYS 4 HE2 LYS 4 5.364 2.849 -5.855
25 HE3 LYS 4 HE3 LYS 4 4.996 4.080 -4.648
26 HZ1 LYS 4 HZ1 LYS 4 5.356 5.318 -6.538
27 HZ2 LYS 4 HZ2 LYS 4 6.597 4.319 -7.106
28 HZ3 LYS 4 HZ3 LYS 4 6.884 5.371 -5.813
29 H CYS 5 H CYS 5 11.031 1.182 -2.382
30 HA CYS 5 HA CYS 5 13.502 1.622 -3.586
31 HB2 CYS 5 HB2 CYS 5 14.448 1.305 -1.297
32 HB3 CYS 5 HB3 CYS 5 13.075 2.406 -1.346
33 H GLU 6 H GLU 6 11.917 -1.332 -2.753
34 HA GLU 6 HA GLU 6 14.016 -3.099 -2.435
35 HB2 GLU 6 HB2 GLU 6 12.510 -4.833 -2.972
36 HB3 GLU 6 HB3 GLU 6 11.518 -3.562 -2.272
37 HG2 GLU 6 HG2 GLU 6 10.965 -2.823 -4.589
38 HG3 GLU 6 HG3 GLU 6 11.807 -4.253 -5.183
39 H ASN 7 H ASN 7 12.816 -1.589 -5.346
40 HA ASN 7 HA ASN 7 14.661 -3.180 -6.981
41 HB2 ASN 7 HB2 ASN 7 12.218 -2.886 -7.639
42 HB3 ASN 7 HB3 ASN 7 12.612 -1.204 -7.984
43 HD21 ASN 7 HD21 ASN 7 12.744 -0.940 -10.086
44 HD22 ASN 7 HD22 ASN 7 13.539 -1.996 -11.199
45 H SER 8 H SER 8 14.055 0.039 -5.803
46 HA SER 8 HA SER 8 16.153 1.172 -7.487
47 HB2 SER 8 HB2 SER 8 14.107 2.483 -7.223
48 HB3 SER 8 HB3 SER 8 14.308 2.479 -5.471
49 HG SER 8 HG SER 8 15.415 4.111 -7.312
50 H LEU 9 H LEU 9 18.178 0.971 -6.818
51 HA LEU 9 HA LEU 9 18.900 0.354 -4.143
52 HB2 LEU 9 HB2 LEU 9 21.152 0.415 -4.892
53 HB3 LEU 9 HB3 LEU 9 20.182 -0.295 -6.181
54 HG LEU 9 HG LEU 9 20.202 2.225 -7.044
55 HD11 LEU 9 HD11 LEU 9 22.009 2.311 -4.889
56 HD12 LEU 9 HD12 LEU 9 21.688 3.562 -6.089
57 HD13 LEU 9 HD13 LEU 9 22.973 2.386 -6.364
58 HD21 LEU 9 HD21 LEU 9 20.952 0.748 -8.594
59 HD22 LEU 9 HD22 LEU 9 22.013 -0.082 -7.456
60 HD23 LEU 9 HD23 LEU 9 22.502 1.463 -8.152
61 H ARG 10 H ARG 10 18.865 3.321 -6.040
62 HA ARG 10 HA ARG 10 20.243 4.917 -4.136
63 HB2 ARG 10 HB2 ARG 10 18.649 5.414 -6.598
64 HB3 ARG 10 HB3 ARG 10 18.861 6.762 -5.489
65 HG2 ARG 10 HG2 ARG 10 21.348 6.268 -5.598
66 HG3 ARG 10 HG3 ARG 10 20.967 5.221 -6.966
67 HD2 ARG 10 HD2 ARG 10 21.650 7.480 -7.668
68 HD3 ARG 10 HD3 ARG 10 20.006 7.084 -8.170
69 HE ARG 10 HE ARG 10 20.080 8.469 -5.672
70 HH11 ARG 10 HH11 ARG 10 20.204 8.879 -9.127
71 HH12 ARG 10 HH12 ARG 10 19.603 10.504 -9.086
72 HH21 ARG 10 HH21 ARG 10 19.288 10.607 -5.606
73 HH22 ARG 10 HH22 ARG 10 19.084 11.486 -7.083
74 H ARG 11 H ARG 11 16.904 3.996 -4.579
75 HA ARG 11 HA ARG 11 15.772 5.963 -2.868
76 HB2 ARG 11 HB2 ARG 11 14.456 4.742 -4.556
77 HB3 ARG 11 HB3 ARG 11 14.693 3.251 -3.654
78 HG2 ARG 11 HG2 ARG 11 12.592 3.879 -2.978
79 HG3 ARG 11 HG3 ARG 11 13.596 4.571 -1.702
80 HD2 ARG 11 HD2 ARG 11 12.149 6.308 -2.251
81 HD3 ARG 11 HD3 ARG 11 13.611 6.691 -3.160
82 HE ARG 11 HE ARG 11 12.161 5.273 -4.936
83 HH11 ARG 11 HH11 ARG 11 11.414 8.007 -2.914
84 HH12 ARG 11 HH12 ARG 11 10.250 8.668 -4.013
85 HH21 ARG 11 HH21 ARG 11 10.631 6.134 -6.392
86 HH22 ARG 11 HH22 ARG 11 9.805 7.601 -5.991
87 H GLU 12 H GLU 12 16.894 2.647 -2.382
88 HA GLU 12 HA GLU 12 16.029 2.446 0.315
89 HB2 GLU 12 HB2 GLU 12 16.429 0.424 -0.891
90 HB3 GLU 12 HB3 GLU 12 18.070 0.911 -1.289
91 HG2 GLU 12 HG2 GLU 12 17.339 0.652 1.576
92 HG3 GLU 12 HG3 GLU 12 17.561 -0.818 0.629
93 H ILE 13 H ILE 13 19.235 3.030 -1.123
94 HA ILE 13 HA ILE 13 20.668 3.354 1.237
95 HB ILE 13 HB ILE 13 21.124 4.770 -1.392
96 HG12 ILE 13 HG12 ILE 13 22.534 2.301 -0.403
97 HG13 ILE 13 HG13 ILE 13 21.033 2.193 -1.316
98 HG21 ILE 13 HG21 ILE 13 22.384 5.894 0.272
99 HG22 ILE 13 HG22 ILE 13 22.886 4.376 1.014
100 HG23 ILE 13 HG23 ILE 13 23.506 4.828 -0.573
101 HD11 ILE 13 HD11 ILE 13 23.670 3.303 -2.223
102 HD12 ILE 13 HD12 ILE 13 22.796 1.907 -2.854
103 HD13 ILE 13 HD13 ILE 13 22.167 3.533 -3.114
104 H ALA 14 H ALA 14 18.692 5.655 -0.547
105 HA ALA 14 HA ALA 14 19.469 7.960 0.910
106 HB1 ALA 14 HB1 ALA 14 17.089 8.713 0.030
107 HB2 ALA 14 HB2 ALA 14 18.477 8.569 -1.050
108 HB3 ALA 14 HB3 ALA 14 17.280 7.276 -0.976
109 H CYS 15 H CYS 15 16.839 5.625 1.285
110 HA CYS 15 HA CYS 15 15.566 6.993 3.431
111 HB2 CYS 15 HB2 CYS 15 15.354 4.273 2.211
112 HB3 CYS 15 HB3 CYS 15 14.630 4.546 3.792
113 H GLY 16 H GLY 16 18.047 4.506 3.225
114 HA2 GLY 16 HA2 GLY 16 18.099 3.659 5.880
115 HA3 GLY 16 HA3 GLY 16 19.488 3.668 4.803
116 H GLN 17 H GLN 17 19.838 6.366 4.373
117 HA GLN 17 HA GLN 17 21.247 7.131 6.693
118 HB2 GLN 17 HB2 GLN 17 20.479 8.644 4.199
119 HB3 GLN 17 HB3 GLN 17 21.457 9.354 5.477
120 HG2 GLN 17 HG2 GLN 17 22.990 7.321 5.151
121 HG3 GLN 17 HG3 GLN 17 22.131 7.104 3.626
122 HE21 GLN 17 HE21 GLN 17 23.041 8.024 1.945
123 HE22 GLN 17 HE22 GLN 17 24.067 9.413 1.969
124 H CYS 18 H CYS 18 18.351 8.580 5.194
125 HA CYS 18 HA CYS 18 17.826 10.455 7.185
126 HB2 CYS 18 HB2 CYS 18 16.249 9.160 5.030
127 HB3 CYS 18 HB3 CYS 18 15.334 9.947 6.312
128 H ARG 19 H ARG 19 17.094 7.042 7.027
129 HA ARG 19 HA ARG 19 15.150 6.867 9.023
130 HB2 ARG 19 HB2 ARG 19 15.681 4.990 7.568
131 HB3 ARG 19 HB3 ARG 19 17.295 4.880 8.256
132 HG2 ARG 19 HG2 ARG 19 16.175 4.430 10.478
133 HG3 ARG 19 HG3 ARG 19 14.674 4.238 9.569
134 HD2 ARG 19 HD2 ARG 19 15.281 2.090 9.389
135 HD3 ARG 19 HD3 ARG 19 16.399 2.666 8.154
136 HE ARG 19 HE ARG 19 17.589 2.863 10.707
137 HH11 ARG 19 HH11 ARG 19 16.659 0.520 8.306
138 HH12 ARG 19 HH12 ARG 19 17.875 -0.626 8.764
139 HH21 ARG 19 HH21 ARG 19 19.194 1.363 11.319
140 HH22 ARG 19 HH22 ARG 19 19.316 -0.146 10.479
141 H ASP 20 H ASP 20 18.659 7.023 9.233
142 HA ASP 20 HA ASP 20 18.680 6.575 12.086
143 HB2 ASP 20 HB2 ASP 20 20.827 7.330 10.102
144 HB3 ASP 20 HB3 ASP 20 21.133 7.181 11.831
145 H LYS 21 H LYS 21 19.330 9.318 9.918
146 HA LYS 21 HA LYS 21 19.873 11.224 11.887
147 HB2 LYS 21 HB2 LYS 21 18.891 11.371 9.061
148 HB3 LYS 21 HB3 LYS 21 18.931 12.832 10.040
149 HG2 LYS 21 HG2 LYS 21 21.358 11.104 9.810
150 HG3 LYS 21 HG3 LYS 21 20.949 12.255 8.536
151 HD2 LYS 21 HD2 LYS 21 20.994 14.081 10.127
152 HD3 LYS 21 HD3 LYS 21 21.286 12.954 11.453
153 HE2 LYS 21 HE2 LYS 21 23.163 12.972 9.139
154 HE3 LYS 21 HE3 LYS 21 23.262 14.277 10.321
155 HZ1 LYS 21 HZ1 LYS 21 24.333 12.940 11.699
156 HZ2 LYS 21 HZ2 LYS 21 24.335 11.726 10.521
157 HZ3 LYS 21 HZ3 LYS 21 23.083 11.801 11.656
158 H VAL 22 H VAL 22 16.818 10.817 10.084
159 HA VAL 22 HA VAL 22 15.263 12.573 11.542
160 HB VAL 22 HB VAL 22 14.341 9.964 10.328
161 HG11 VAL 22 HG11 VAL 22 12.398 10.523 11.284
162 HG12 VAL 22 HG12 VAL 22 12.952 12.155 11.663
163 HG13 VAL 22 HG13 VAL 22 12.312 11.790 10.060
164 HG21 VAL 22 HG21 VAL 22 15.506 12.170 9.074
165 HG22 VAL 22 HG22 VAL 22 14.613 10.857 8.308
166 HG23 VAL 22 HG23 VAL 22 13.774 12.332 8.788
167 H LYS 23 H LYS 23 16.309 9.355 12.365
168 HA LYS 23 HA LYS 23 16.090 8.086 14.241
169 HB2 LYS 23 HB2 LYS 23 15.671 10.859 15.315
170 HB3 LYS 23 HB3 LYS 23 15.534 9.462 16.375
171 HG2 LYS 23 HG2 LYS 23 17.868 8.839 15.414
172 HG3 LYS 23 HG3 LYS 23 17.934 10.547 14.975
173 HD2 LYS 23 HD2 LYS 23 17.337 9.546 17.755
174 HD3 LYS 23 HD3 LYS 23 18.949 10.000 17.197
175 HE2 LYS 23 HE2 LYS 23 18.070 12.255 16.658
176 HE3 LYS 23 HE3 LYS 23 16.519 11.781 17.348
177 HZ1 LYS 23 HZ1 LYS 23 18.994 12.492 18.675
178 HZ2 LYS 23 HZ2 LYS 23 18.185 11.165 19.340
179 HZ3 LYS 23 HZ3 LYS 23 17.395 12.654 19.204
180 H THR 24 H THR 24 14.009 7.678 12.720
181 HA THR 24 HA THR 24 11.758 7.568 14.600
182 HB THR 24 HB THR 24 11.523 8.368 11.693
183 HG1 THR 24 HG1 THR 24 12.134 9.924 13.529
184 HG21 THR 24 HG21 THR 24 9.643 7.005 12.202
185 HG22 THR 24 HG22 THR 24 9.094 8.677 12.318
186 HG23 THR 24 HG23 THR 24 9.440 7.757 13.783
187 H ASP 25 H ASP 25 11.307 5.499 14.925
188 HA ASP 25 HA ASP 25 12.223 3.393 13.295
189 HB2 ASP 25 HB2 ASP 25 10.268 3.580 15.565
190 HB3 ASP 25 HB3 ASP 25 10.447 2.070 14.675
191 H GLY 26 H GLY 26 11.466 2.633 11.437
192 HA2 GLY 26 HA2 GLY 26 9.729 1.756 10.066
193 HA3 GLY 26 HA3 GLY 26 8.588 2.810 10.887
194 H TYR 27 H TYR 27 11.012 4.833 10.433
195 HA TYR 27 HA TYR 27 9.794 6.303 8.399
196 HB2 TYR 27 HB2 TYR 27 11.455 7.142 10.114
197 HB3 TYR 27 HB3 TYR 27 12.725 6.443 9.116
198 HD1 TYR 27 HD1 TYR 27 10.164 9.074 9.314
199 HD2 TYR 27 HD2 TYR 27 13.395 7.481 7.051
200 HE1 TYR 27 HE1 TYR 27 10.228 11.132 7.969
201 HE2 TYR 27 HE2 TYR 27 13.470 9.535 5.701
202 HH TYR 27 HH TYR 27 11.090 12.114 6.146
203 H PHE 28 H PHE 28 12.654 4.194 8.260
204 HA PHE 28 HA PHE 28 13.330 4.532 5.601
205 HB2 PHE 28 HB2 PHE 28 14.778 3.283 7.049
206 HB3 PHE 28 HB3 PHE 28 13.528 2.083 7.358
207 HD1 PHE 28 HD1 PHE 28 12.967 0.410 5.682
208 HD2 PHE 28 HD2 PHE 28 16.072 3.247 5.028
209 HE1 PHE 28 HE1 PHE 28 13.816 -0.954 3.819
210 HE2 PHE 28 HE2 PHE 28 16.925 1.888 3.162
211 HZ PHE 28 HZ PHE 28 15.798 -0.216 2.557
212 H TYR 29 H TYR 29 10.998 2.261 7.011
213 HA TYR 29 HA TYR 29 10.273 1.128 4.485
214 HB2 TYR 29 HB2 TYR 29 10.077 0.040 6.803
215 HB3 TYR 29 HB3 TYR 29 8.610 0.995 6.993
216 HD1 TYR 29 HD1 TYR 29 6.733 0.664 5.323
217 HD2 TYR 29 HD2 TYR 29 10.056 -1.979 5.596
218 HE1 TYR 29 HE1 TYR 29 5.450 -1.061 4.130
219 HE2 TYR 29 HE2 TYR 29 8.783 -3.712 4.402
220 HH TYR 29 HH TYR 29 5.471 -3.104 3.267
221 H GLU 30 H GLU 30 9.276 3.871 6.329
222 HA GLU 30 HA GLU 30 6.701 4.185 5.131
223 HB2 GLU 30 HB2 GLU 30 7.138 5.177 7.292
224 HB3 GLU 30 HB3 GLU 30 8.465 6.123 6.633
225 HG2 GLU 30 HG2 GLU 30 7.054 7.582 5.527
226 HG3 GLU 30 HG3 GLU 30 5.705 6.449 5.543
227 H CYS 31 H CYS 31 9.793 5.909 4.711
228 HA CYS 31 HA CYS 31 8.941 7.499 2.551
229 HB2 CYS 31 HB2 CYS 31 11.380 7.833 2.133
230 HB3 CYS 31 HB3 CYS 31 10.906 8.119 3.804
231 H CYS 32 H CYS 32 10.094 4.227 2.737
232 HA CYS 32 HA CYS 32 10.878 3.872 0.056
233 HB2 CYS 32 HB2 CYS 32 10.181 2.108 2.334
234 HB3 CYS 32 HB3 CYS 32 10.052 1.393 0.730
235 H THR 33 H THR 33 7.775 4.053 1.563
236 HA THR 33 HA THR 33 6.512 3.438 -1.027
237 HB THR 33 HB THR 33 4.657 2.380 0.038
238 HG1 THR 33 HG1 THR 33 4.171 3.071 1.974
239 HG21 THR 33 HG21 THR 33 5.687 0.416 0.415
240 HG22 THR 33 HG22 THR 33 6.668 1.075 1.724
241 HG23 THR 33 HG23 THR 33 7.168 1.298 0.048
242 H SER 34 H SER 34 7.342 5.958 0.473
243 HA SER 34 HA SER 34 4.759 7.329 0.180
244 HB2 SER 34 HB2 SER 34 6.758 7.778 2.409
245 HB3 SER 34 HB3 SER 34 5.338 8.780 2.110
246 HG SER 34 HG SER 34 4.192 7.355 3.125
247 H ASP 35 H ASP 35 5.119 8.403 -1.674
248 HA ASP 35 HA ASP 35 7.617 9.456 -2.477
249 HB2 ASP 35 HB2 ASP 35 6.384 10.543 -4.272
250 HB3 ASP 35 HB3 ASP 35 5.796 8.897 -4.055
251 H SER 36 H SER 36 4.869 10.829 -0.764
252 HA SER 36 HA SER 36 5.754 13.528 -0.873
253 HB2 SER 36 HB2 SER 36 3.466 13.286 -0.421
254 HB3 SER 36 HB3 SER 36 3.743 12.046 0.802
255 HG SER 36 HG SER 36 3.205 14.109 1.694
256 H THR 37 H THR 37 6.127 10.925 1.487
257 HA THR 37 HA THR 37 7.362 12.441 3.511
258 HB THR 37 HB THR 37 7.711 9.499 2.902
259 HG1 THR 37 HG1 THR 37 5.830 10.951 4.460
260 HG21 THR 37 HG21 THR 37 8.390 11.179 5.305
261 HG22 THR 37 HG22 THR 37 9.443 10.101 4.389
262 HG23 THR 37 HG23 THR 37 8.168 9.433 5.408
263 H PHE 38 H PHE 38 8.560 11.112 0.543
264 HA PHE 38 HA PHE 38 11.315 11.066 1.190
265 HB2 PHE 38 HB2 PHE 38 9.982 10.061 -0.854
266 HB3 PHE 38 HB3 PHE 38 10.389 11.602 -1.602
267 HD1 PHE 38 HD1 PHE 38 11.870 8.635 0.052
268 HD2 PHE 38 HD2 PHE 38 12.498 11.955 -2.535
269 HE1 PHE 38 HE1 PHE 38 14.094 7.757 -0.530
270 HE2 PHE 38 HE2 PHE 38 14.722 11.082 -3.122
271 HZ PHE 38 HZ PHE 38 15.522 8.980 -2.120
272 H LYS 39 H LYS 39 9.161 13.558 -0.016
273 HA LYS 39 HA LYS 39 10.955 15.449 -0.925
274 HB2 LYS 39 HB2 LYS 39 8.304 15.713 0.472
275 HB3 LYS 39 HB3 LYS 39 9.205 17.129 -0.052
276 HG2 LYS 39 HG2 LYS 39 9.132 16.357 -2.351
277 HG3 LYS 39 HG3 LYS 39 8.288 14.891 -1.846
278 HD2 LYS 39 HD2 LYS 39 6.610 16.335 -2.653
279 HD3 LYS 39 HD3 LYS 39 6.502 16.428 -0.893
280 HE2 LYS 39 HE2 LYS 39 8.156 18.442 -1.223
281 HE3 LYS 39 HE3 LYS 39 7.483 18.451 -2.852
282 HZ1 LYS 39 HZ1 LYS 39 5.477 18.258 -0.812
283 HZ2 LYS 39 HZ2 LYS 39 5.582 19.319 -2.125
284 HZ3 LYS 39 HZ3 LYS 39 6.398 19.672 -0.686
285 H LYS 40 H LYS 40 9.697 15.115 2.393
286 HA LYS 40 HA LYS 40 11.184 17.164 3.557
287 HB2 LYS 40 HB2 LYS 40 9.894 14.673 4.587
288 HB3 LYS 40 HB3 LYS 40 10.961 15.575 5.656
289 HG2 LYS 40 HG2 LYS 40 8.719 16.286 6.050
290 HG3 LYS 40 HG3 LYS 40 9.580 17.596 5.237
291 HD2 LYS 40 HD2 LYS 40 8.576 16.951 3.110
292 HD3 LYS 40 HD3 LYS 40 7.744 15.608 3.898
293 HE2 LYS 40 HE2 LYS 40 7.322 18.556 4.358
294 HE3 LYS 40 HE3 LYS 40 6.188 17.409 3.647
295 HZ1 LYS 40 HZ1 LYS 40 6.606 16.255 5.991
296 HZ2 LYS 40 HZ2 LYS 40 5.388 17.401 5.739
297 HZ3 LYS 40 HZ3 LYS 40 6.855 17.867 6.441
298 H CYS 41 H CYS 41 11.940 13.686 3.397
299 HA CYS 41 HA CYS 41 14.401 13.764 4.685
300 HB2 CYS 41 HB2 CYS 41 13.359 11.651 4.226
301 HB3 CYS 41 HB3 CYS 41 13.395 11.948 2.491
302 H GLN 42 H GLN 42 13.618 14.278 1.275
303 HA GLN 42 HA GLN 42 16.173 14.380 0.211
304 HB2 GLN 42 HB2 GLN 42 13.544 15.544 -0.526
305 HB3 GLN 42 HB3 GLN 42 14.962 16.240 -1.299
306 HG2 GLN 42 HG2 GLN 42 15.591 13.822 -1.871
307 HG3 GLN 42 HG3 GLN 42 13.919 13.441 -1.463
308 HE21 GLN 42 HE21 GLN 42 13.911 12.745 -3.737
309 HE22 GLN 42 HE22 GLN 42 13.558 13.921 -4.952
310 H ASP 43 H ASP 43 14.384 16.830 1.984
311 HA ASP 43 HA ASP 43 16.209 18.956 1.479
312 HB2 ASP 43 HB2 ASP 43 13.769 19.122 2.262
313 HB3 ASP 43 HB3 ASP 43 14.389 18.774 3.873
314 H LEU 44 H LEU 44 15.893 16.526 4.005
315 HA LEU 44 HA LEU 44 17.768 17.602 5.807
316 HB2 LEU 44 HB2 LEU 44 17.240 14.670 5.420
317 HB3 LEU 44 HB3 LEU 44 17.734 15.502 6.894
318 HG LEU 44 HG LEU 44 15.031 15.695 5.563
319 HD11 LEU 44 HD11 LEU 44 14.324 14.054 6.894
320 HD12 LEU 44 HD12 LEU 44 15.184 14.700 8.292
321 HD13 LEU 44 HD13 LEU 44 16.028 13.670 7.136
322 HD21 LEU 44 HD21 LEU 44 16.349 17.245 7.701
323 HD22 LEU 44 HD22 LEU 44 14.691 16.733 8.017
324 HD23 LEU 44 HD23 LEU 44 15.058 17.706 6.592
325 H LEU 45 H LEU 45 18.138 15.068 3.330
326 HA LEU 45 HA LEU 45 20.905 14.701 3.702
327 HB2 LEU 45 HB2 LEU 45 19.290 14.252 1.197
328 HB3 LEU 45 HB3 LEU 45 20.868 13.556 1.561
329 HG LEU 45 HG LEU 45 18.337 12.970 3.095
330 HD11 LEU 45 HD11 LEU 45 17.793 11.624 1.417
331 HD12 LEU 45 HD12 LEU 45 19.232 10.677 1.790
332 HD13 LEU 45 HD13 LEU 45 19.309 11.956 0.579
333 HD21 LEU 45 HD21 LEU 45 19.559 11.710 4.492
334 HD22 LEU 45 HD22 LEU 45 20.904 12.714 3.950
335 HD23 LEU 45 HD23 LEU 45 20.624 11.138 3.207
336 H HIS 46 H HIS 46 19.079 17.082 1.973
337 HA HIS 46 HA HIS 46 21.289 17.980 0.355
338 HB2 HIS 46 HB2 HIS 46 19.059 18.251 -0.528
339 HB3 HIS 46 HB3 HIS 46 18.560 19.164 0.893
340 HD1 HIS 46 HD1 HIS 46 19.635 21.590 1.143
341 HD2 HIS 46 HD2 HIS 46 20.183 19.740 -2.537
342 HE1 HIS 46 HE1 HIS 46 20.334 23.421 -0.433
Start of MODEL 24
1 H1 ALA 1 H1 ALA 1 0.448 1.751 0.367
2 HA ALA 1 HA ALA 1 2.708 1.234 0.985
3 HB1 ALA 1 HB1 ALA 1 0.901 -1.165 1.171
4 HB2 ALA 1 HB2 ALA 1 2.486 -1.084 1.941
5 HB3 ALA 1 HB3 ALA 1 1.221 0.054 2.406
6 H ASP 2 H ASP 2 2.896 1.300 -1.752
7 HA ASP 2 HA ASP 2 3.879 -1.245 -2.715
8 HB2 ASP 2 HB2 ASP 2 3.821 1.502 -3.978
9 HB3 ASP 2 HB3 ASP 2 4.401 0.050 -4.789
10 H ASN 3 H ASN 3 5.907 -1.939 -2.574
11 HA ASN 3 HA ASN 3 7.910 -0.323 -1.307
12 HB2 ASN 3 HB2 ASN 3 7.677 -3.146 -2.208
13 HB3 ASN 3 HB3 ASN 3 9.304 -2.485 -2.068
14 HD21 ASN 3 HD21 ASN 3 9.864 -1.485 0.002
15 HD22 ASN 3 HD22 ASN 3 9.197 -2.156 1.448
16 H LYS 4 H LYS 4 9.066 1.148 -2.346
17 HA LYS 4 HA LYS 4 9.520 0.869 -5.222
18 HB2 LYS 4 HB2 LYS 4 10.212 3.233 -3.480
19 HB3 LYS 4 HB3 LYS 4 10.073 3.196 -5.232
20 HG2 LYS 4 HG2 LYS 4 7.788 2.762 -3.321
21 HG3 LYS 4 HG3 LYS 4 8.163 4.290 -4.121
22 HD2 LYS 4 HD2 LYS 4 7.834 1.845 -5.791
23 HD3 LYS 4 HD3 LYS 4 6.392 2.616 -5.128
24 HE2 LYS 4 HE2 LYS 4 7.400 4.793 -6.085
25 HE3 LYS 4 HE3 LYS 4 8.413 3.718 -7.048
26 HZ1 LYS 4 HZ1 LYS 4 5.656 4.394 -7.380
27 HZ2 LYS 4 HZ2 LYS 4 5.893 2.720 -7.352
28 HZ3 LYS 4 HZ3 LYS 4 6.727 3.673 -8.474
29 H CYS 5 H CYS 5 11.260 1.131 -2.173
30 HA CYS 5 HA CYS 5 13.855 1.427 -3.131
31 HB2 CYS 5 HB2 CYS 5 12.754 0.105 -0.658
32 HB3 CYS 5 HB3 CYS 5 14.485 0.185 -0.970
33 H GLU 6 H GLU 6 11.763 -1.325 -3.166
34 HA GLU 6 HA GLU 6 13.616 -3.408 -3.331
35 HB2 GLU 6 HB2 GLU 6 11.016 -3.451 -3.184
36 HB3 GLU 6 HB3 GLU 6 11.084 -3.423 -4.941
37 HG2 GLU 6 HG2 GLU 6 12.724 -5.436 -3.499
38 HG3 GLU 6 HG3 GLU 6 10.981 -5.680 -3.594
39 H ASN 7 H ASN 7 12.657 -1.025 -5.666
40 HA ASN 7 HA ASN 7 14.342 -2.353 -7.687
41 HB2 ASN 7 HB2 ASN 7 11.894 -0.620 -8.001
42 HB3 ASN 7 HB3 ASN 7 13.004 -0.922 -9.334
43 HD21 ASN 7 HD21 ASN 7 10.408 -2.109 -7.496
44 HD22 ASN 7 HD22 ASN 7 10.261 -3.650 -8.262
45 H SER 8 H SER 8 13.725 0.526 -5.871
46 HA SER 8 HA SER 8 15.685 2.050 -7.421
47 HB2 SER 8 HB2 SER 8 14.958 3.961 -5.973
48 HB3 SER 8 HB3 SER 8 13.650 3.253 -6.921
49 HG SER 8 HG SER 8 12.924 3.513 -4.832
50 H LEU 9 H LEU 9 17.698 1.446 -6.854
51 HA LEU 9 HA LEU 9 18.453 0.661 -4.233
52 HB2 LEU 9 HB2 LEU 9 20.636 0.466 -5.066
53 HB3 LEU 9 HB3 LEU 9 19.579 0.037 -6.409
54 HG LEU 9 HG LEU 9 19.940 2.624 -6.976
55 HD11 LEU 9 HD11 LEU 9 22.177 1.849 -5.181
56 HD12 LEU 9 HD12 LEU 9 21.381 3.408 -5.392
57 HD13 LEU 9 HD13 LEU 9 22.541 2.840 -6.593
58 HD21 LEU 9 HD21 LEU 9 21.421 1.935 -8.660
59 HD22 LEU 9 HD22 LEU 9 20.429 0.516 -8.321
60 HD23 LEU 9 HD23 LEU 9 22.067 0.622 -7.675
61 H ARG 10 H ARG 10 18.569 3.698 -5.999
62 HA ARG 10 HA ARG 10 20.200 5.106 -4.164
63 HB2 ARG 10 HB2 ARG 10 18.429 5.811 -6.439
64 HB3 ARG 10 HB3 ARG 10 18.774 7.090 -5.283
65 HG2 ARG 10 HG2 ARG 10 21.044 7.087 -5.761
66 HG3 ARG 10 HG3 ARG 10 20.991 5.470 -6.466
67 HD2 ARG 10 HD2 ARG 10 19.487 7.748 -7.704
68 HD3 ARG 10 HD3 ARG 10 21.202 7.507 -8.037
69 HE ARG 10 HE ARG 10 19.619 5.145 -8.435
70 HH11 ARG 10 HH11 ARG 10 20.743 8.105 -9.883
71 HH12 ARG 10 HH12 ARG 10 20.579 7.525 -11.508
72 HH21 ARG 10 HH21 ARG 10 19.400 4.370 -10.569
73 HH22 ARG 10 HH22 ARG 10 19.815 5.400 -11.896
74 H ARG 11 H ARG 11 16.743 4.524 -4.366
75 HA ARG 11 HA ARG 11 15.898 6.429 -2.479
76 HB2 ARG 11 HB2 ARG 11 14.403 5.192 -4.046
77 HB3 ARG 11 HB3 ARG 11 14.634 3.748 -3.070
78 HG2 ARG 11 HG2 ARG 11 12.612 4.578 -2.315
79 HG3 ARG 11 HG3 ARG 11 13.761 5.189 -1.122
80 HD2 ARG 11 HD2 ARG 11 12.509 7.071 -1.578
81 HD3 ARG 11 HD3 ARG 11 13.866 7.265 -2.685
82 HE ARG 11 HE ARG 11 12.422 7.018 -4.445
83 HH11 ARG 11 HH11 ARG 11 10.862 5.944 -1.524
84 HH12 ARG 11 HH12 ARG 11 9.308 5.759 -2.267
85 HH21 ARG 11 HH21 ARG 11 10.381 6.778 -5.435
86 HH22 ARG 11 HH22 ARG 11 9.036 6.233 -4.491
87 H GLU 12 H GLU 12 16.867 3.037 -2.119
88 HA GLU 12 HA GLU 12 16.312 2.812 0.629
89 HB2 GLU 12 HB2 GLU 12 16.642 0.818 -0.641
90 HB3 GLU 12 HB3 GLU 12 18.238 1.339 -1.164
91 HG2 GLU 12 HG2 GLU 12 19.211 0.863 0.872
92 HG3 GLU 12 HG3 GLU 12 17.679 0.950 1.741
93 H ILE 13 H ILE 13 19.383 3.472 -1.051
94 HA ILE 13 HA ILE 13 20.996 3.779 1.192
95 HB ILE 13 HB ILE 13 21.221 5.246 -1.439
96 HG12 ILE 13 HG12 ILE 13 22.705 2.762 -0.593
97 HG13 ILE 13 HG13 ILE 13 21.165 2.682 -1.442
98 HG21 ILE 13 HG21 ILE 13 23.624 5.411 -0.848
99 HG22 ILE 13 HG22 ILE 13 22.571 6.326 0.230
100 HG23 ILE 13 HG23 ILE 13 23.236 4.779 0.753
101 HD11 ILE 13 HD11 ILE 13 23.753 3.835 -2.435
102 HD12 ILE 13 HD12 ILE 13 22.876 2.436 -3.054
103 HD13 ILE 13 HD13 ILE 13 22.209 4.056 -3.257
104 H ALA 14 H ALA 14 18.914 6.116 -0.437
105 HA ALA 14 HA ALA 14 19.756 8.368 1.082
106 HB1 ALA 14 HB1 ALA 14 17.257 9.039 0.250
107 HB2 ALA 14 HB2 ALA 14 18.719 9.202 -0.724
108 HB3 ALA 14 HB3 ALA 14 17.688 7.784 -0.912
109 H CYS 15 H CYS 15 16.852 6.308 1.265
110 HA CYS 15 HA CYS 15 15.704 7.529 3.501
111 HB2 CYS 15 HB2 CYS 15 15.422 4.905 2.138
112 HB3 CYS 15 HB3 CYS 15 14.800 5.017 3.781
113 H GLY 16 H GLY 16 18.096 4.949 3.250
114 HA2 GLY 16 HA2 GLY 16 18.147 4.039 5.864
115 HA3 GLY 16 HA3 GLY 16 19.550 4.090 4.806
116 H GLN 17 H GLN 17 19.834 6.842 4.490
117 HA GLN 17 HA GLN 17 21.265 7.507 6.827
118 HB2 GLN 17 HB2 GLN 17 20.367 9.335 4.594
119 HB3 GLN 17 HB3 GLN 17 21.634 9.677 5.764
120 HG2 GLN 17 HG2 GLN 17 23.070 8.069 4.845
121 HG3 GLN 17 HG3 GLN 17 21.768 7.310 3.930
122 HE21 GLN 17 HE21 GLN 17 21.932 7.671 1.848
123 HE22 GLN 17 HE22 GLN 17 22.500 9.121 1.100
124 H CYS 18 H CYS 18 18.279 8.906 5.473
125 HA CYS 18 HA CYS 18 17.756 10.678 7.569
126 HB2 CYS 18 HB2 CYS 18 16.156 9.450 5.384
127 HB3 CYS 18 HB3 CYS 18 15.266 10.181 6.716
128 H ARG 19 H ARG 19 17.116 7.260 7.233
129 HA ARG 19 HA ARG 19 15.204 6.905 9.227
130 HB2 ARG 19 HB2 ARG 19 15.827 5.129 7.675
131 HB3 ARG 19 HB3 ARG 19 17.435 5.048 8.384
132 HG2 ARG 19 HG2 ARG 19 16.344 4.415 10.551
133 HG3 ARG 19 HG3 ARG 19 14.826 4.280 9.662
134 HD2 ARG 19 HD2 ARG 19 15.405 2.170 9.241
135 HD3 ARG 19 HD3 ARG 19 16.612 2.826 8.136
136 HE ARG 19 HE ARG 19 17.838 2.862 10.569
137 HH11 ARG 19 HH11 ARG 19 16.270 0.417 8.650
138 HH12 ARG 19 HH12 ARG 19 17.254 -0.874 9.255
139 HH21 ARG 19 HH21 ARG 19 19.140 1.171 11.373
140 HH22 ARG 19 HH22 ARG 19 18.886 -0.445 10.805
141 H ASP 20 H ASP 20 18.701 7.210 9.443
142 HA ASP 20 HA ASP 20 18.751 6.629 12.271
143 HB2 ASP 20 HB2 ASP 20 20.650 6.030 10.809
144 HB3 ASP 20 HB3 ASP 20 20.923 7.739 10.480
145 H LYS 21 H LYS 21 19.506 9.499 10.292
146 HA LYS 21 HA LYS 21 19.870 11.312 12.356
147 HB2 LYS 21 HB2 LYS 21 18.670 11.838 9.630
148 HB3 LYS 21 HB3 LYS 21 19.333 13.061 10.707
149 HG2 LYS 21 HG2 LYS 21 21.037 10.772 9.833
150 HG3 LYS 21 HG3 LYS 21 20.765 12.139 8.751
151 HD2 LYS 21 HD2 LYS 21 21.466 13.601 10.740
152 HD3 LYS 21 HD3 LYS 21 22.089 12.108 11.447
153 HE2 LYS 21 HE2 LYS 21 22.844 12.880 8.658
154 HE3 LYS 21 HE3 LYS 21 23.658 13.627 10.031
155 HZ1 LYS 21 HZ1 LYS 21 23.963 11.193 10.794
156 HZ2 LYS 21 HZ2 LYS 21 24.981 11.815 9.595
157 HZ3 LYS 21 HZ3 LYS 21 23.685 10.814 9.169
158 H VAL 22 H VAL 22 16.879 10.841 10.464
159 HA VAL 22 HA VAL 22 15.235 12.508 11.959
160 HB VAL 22 HB VAL 22 14.452 9.969 10.520
161 HG11 VAL 22 HG11 VAL 22 12.463 10.332 11.474
162 HG12 VAL 22 HG12 VAL 22 12.919 11.947 12.019
163 HG13 VAL 22 HG13 VAL 22 12.331 11.704 10.374
164 HG21 VAL 22 HG21 VAL 22 14.237 12.782 9.486
165 HG22 VAL 22 HG22 VAL 22 15.670 11.790 9.218
166 HG23 VAL 22 HG23 VAL 22 14.107 11.268 8.590
167 H LYS 23 H LYS 23 16.429 9.340 12.676
168 HA LYS 23 HA LYS 23 16.126 7.910 14.424
169 HB2 LYS 23 HB2 LYS 23 15.677 10.604 15.680
170 HB3 LYS 23 HB3 LYS 23 15.565 9.133 16.637
171 HG2 LYS 23 HG2 LYS 23 17.887 8.572 15.812
172 HG3 LYS 23 HG3 LYS 23 17.960 10.222 15.189
173 HD2 LYS 23 HD2 LYS 23 17.364 9.532 18.063
174 HD3 LYS 23 HD3 LYS 23 18.976 9.917 17.456
175 HE2 LYS 23 HE2 LYS 23 18.444 12.129 17.066
176 HE3 LYS 23 HE3 LYS 23 16.717 11.798 16.932
177 HZ1 LYS 23 HZ1 LYS 23 16.917 11.195 19.408
178 HZ2 LYS 23 HZ2 LYS 23 16.902 12.830 18.974
179 HZ3 LYS 23 HZ3 LYS 23 18.364 12.072 19.361
180 H THR 24 H THR 24 14.063 7.603 12.857
181 HA THR 24 HA THR 24 11.778 7.412 14.695
182 HB THR 24 HB THR 24 11.607 8.301 11.809
183 HG1 THR 24 HG1 THR 24 10.592 10.164 12.968
184 HG21 THR 24 HG21 THR 24 9.693 6.993 12.149
185 HG22 THR 24 HG22 THR 24 9.152 8.635 12.497
186 HG23 THR 24 HG23 THR 24 9.515 7.526 13.819
187 H ASP 25 H ASP 25 11.320 5.334 14.946
188 HA ASP 25 HA ASP 25 12.266 3.283 13.259
189 HB2 ASP 25 HB2 ASP 25 9.999 3.132 15.255
190 HB3 ASP 25 HB3 ASP 25 10.931 1.778 14.622
191 H GLY 26 H GLY 26 11.462 2.398 11.461
192 HA2 GLY 26 HA2 GLY 26 9.782 1.635 10.003
193 HA3 GLY 26 HA3 GLY 26 8.613 2.621 10.869
194 H TYR 27 H TYR 27 11.051 4.681 10.470
195 HA TYR 27 HA TYR 27 9.769 6.217 8.504
196 HB2 TYR 27 HB2 TYR 27 11.365 7.062 10.260
197 HB3 TYR 27 HB3 TYR 27 12.681 6.411 9.290
198 HD1 TYR 27 HD1 TYR 27 10.035 8.968 9.434
199 HD2 TYR 27 HD2 TYR 27 13.420 7.523 7.298
200 HE1 TYR 27 HE1 TYR 27 10.098 11.055 8.134
201 HE2 TYR 27 HE2 TYR 27 13.493 9.607 5.993
202 HH TYR 27 HH TYR 27 11.896 12.372 6.855
203 H PHE 28 H PHE 28 12.718 4.235 8.311
204 HA PHE 28 HA PHE 28 13.389 4.698 5.671
205 HB2 PHE 28 HB2 PHE 28 14.896 3.469 7.065
206 HB3 PHE 28 HB3 PHE 28 13.699 2.212 7.356
207 HD1 PHE 28 HD1 PHE 28 15.990 3.654 4.864
208 HD2 PHE 28 HD2 PHE 28 13.382 0.429 5.821
209 HE1 PHE 28 HE1 PHE 28 16.884 2.372 2.964
210 HE2 PHE 28 HE2 PHE 28 14.273 -0.859 3.923
211 HZ PHE 28 HZ PHE 28 16.026 0.112 2.491
212 H TYR 29 H TYR 29 11.359 2.052 6.930
213 HA TYR 29 HA TYR 29 10.637 1.077 4.369
214 HB2 TYR 29 HB2 TYR 29 10.483 -0.406 6.245
215 HB3 TYR 29 HB3 TYR 29 9.406 0.693 7.100
216 HD1 TYR 29 HD1 TYR 29 9.478 -0.929 3.725
217 HD2 TYR 29 HD2 TYR 29 7.232 -0.043 7.228
218 HE1 TYR 29 HE1 TYR 29 7.537 -2.099 2.769
219 HE2 TYR 29 HE2 TYR 29 5.286 -1.212 6.283
220 HH TYR 29 HH TYR 29 5.507 -3.059 3.329
221 H GLU 30 H GLU 30 9.444 3.635 6.361
222 HA GLU 30 HA GLU 30 6.844 3.827 5.214
223 HB2 GLU 30 HB2 GLU 30 7.328 4.784 7.403
224 HB3 GLU 30 HB3 GLU 30 8.503 5.879 6.688
225 HG2 GLU 30 HG2 GLU 30 6.691 6.934 5.395
226 HG3 GLU 30 HG3 GLU 30 5.533 5.878 6.202
227 H CYS 31 H CYS 31 9.807 5.758 4.764
228 HA CYS 31 HA CYS 31 8.737 7.252 2.588
229 HB2 CYS 31 HB2 CYS 31 11.080 8.021 2.277
230 HB3 CYS 31 HB3 CYS 31 10.518 8.189 3.937
231 H CYS 32 H CYS 32 10.422 4.228 2.875
232 HA CYS 32 HA CYS 32 11.427 3.962 0.279
233 HB2 CYS 32 HB2 CYS 32 10.808 2.158 2.524
234 HB3 CYS 32 HB3 CYS 32 10.774 1.394 0.939
235 H THR 33 H THR 33 8.201 3.794 1.483
236 HA THR 33 HA THR 33 7.265 2.838 -1.145
237 HB THR 33 HB THR 33 5.234 2.032 -0.059
238 HG1 THR 33 HG1 THR 33 6.381 3.317 2.155
239 HG21 THR 33 HG21 THR 33 6.839 0.619 1.780
240 HG22 THR 33 HG22 THR 33 7.866 0.992 0.395
241 HG23 THR 33 HG23 THR 33 6.352 0.118 0.161
242 H SER 34 H SER 34 7.122 5.335 1.237
243 HA SER 34 HA SER 34 4.910 6.660 -0.162
244 HB2 SER 34 HB2 SER 34 4.649 8.038 1.771
245 HB3 SER 34 HB3 SER 34 4.878 6.393 2.361
246 HG SER 34 HG SER 34 6.195 7.756 3.541
247 H ASP 35 H ASP 35 5.505 7.938 -1.776
248 HA ASP 35 HA ASP 35 8.114 8.976 -2.114
249 HB2 ASP 35 HB2 ASP 35 6.216 8.541 -3.860
250 HB3 ASP 35 HB3 ASP 35 5.727 10.186 -3.466
251 H SER 36 H SER 36 5.145 10.320 -0.792
252 HA SER 36 HA SER 36 5.839 13.009 -0.678
253 HB2 SER 36 HB2 SER 36 4.256 11.547 1.443
254 HB3 SER 36 HB3 SER 36 4.138 13.250 1.000
255 HG SER 36 HG SER 36 2.721 11.289 0.037
256 H THR 37 H THR 37 6.319 10.501 1.804
257 HA THR 37 HA THR 37 7.582 12.055 3.722
258 HB THR 37 HB THR 37 8.144 9.153 3.081
259 HG1 THR 37 HG1 THR 37 6.153 10.468 4.603
260 HG21 THR 37 HG21 THR 37 8.668 10.805 5.552
261 HG22 THR 37 HG22 THR 37 9.862 10.013 4.524
262 HG23 THR 37 HG23 THR 37 8.758 9.045 5.500
263 H PHE 38 H PHE 38 8.793 10.831 0.713
264 HA PHE 38 HA PHE 38 11.560 10.989 1.271
265 HB2 PHE 38 HB2 PHE 38 10.316 9.871 -0.723
266 HB3 PHE 38 HB3 PHE 38 10.423 11.462 -1.468
267 HD1 PHE 38 HD1 PHE 38 12.635 9.056 0.336
268 HD2 PHE 38 HD2 PHE 38 12.206 11.843 -2.853
269 HE1 PHE 38 HE1 PHE 38 14.921 8.542 -0.417
270 HE2 PHE 38 HE2 PHE 38 14.490 11.333 -3.611
271 HZ PHE 38 HZ PHE 38 15.851 9.681 -2.393
272 H LYS 39 H LYS 39 9.196 13.332 0.157
273 HA LYS 39 HA LYS 39 10.896 15.360 -0.712
274 HB2 LYS 39 HB2 LYS 39 8.158 15.423 0.542
275 HB3 LYS 39 HB3 LYS 39 8.973 16.892 0.023
276 HG2 LYS 39 HG2 LYS 39 9.216 15.619 -2.241
277 HG3 LYS 39 HG3 LYS 39 7.879 14.653 -1.612
278 HD2 LYS 39 HD2 LYS 39 6.403 16.405 -1.683
279 HD3 LYS 39 HD3 LYS 39 7.667 17.620 -1.478
280 HE2 LYS 39 HE2 LYS 39 8.445 16.873 -3.823
281 HE3 LYS 39 HE3 LYS 39 6.844 16.146 -3.956
282 HZ1 LYS 39 HZ1 LYS 39 6.545 18.240 -4.844
283 HZ2 LYS 39 HZ2 LYS 39 7.568 18.993 -3.727
284 HZ3 LYS 39 HZ3 LYS 39 6.033 18.467 -3.247
285 H LYS 40 H LYS 40 9.453 14.935 2.520
286 HA LYS 40 HA LYS 40 10.696 17.084 3.773
287 HB2 LYS 40 HB2 LYS 40 9.706 14.437 4.810
288 HB3 LYS 40 HB3 LYS 40 10.422 15.634 5.882
289 HG2 LYS 40 HG2 LYS 40 8.155 16.052 6.063
290 HG3 LYS 40 HG3 LYS 40 8.685 17.251 4.881
291 HD2 LYS 40 HD2 LYS 40 7.766 16.049 3.087
292 HD3 LYS 40 HD3 LYS 40 7.625 14.569 4.039
293 HE2 LYS 40 HE2 LYS 40 5.459 15.729 3.635
294 HE3 LYS 40 HE3 LYS 40 5.844 15.500 5.340
295 HZ1 LYS 40 HZ1 LYS 40 6.739 18.003 4.181
296 HZ2 LYS 40 HZ2 LYS 40 6.021 17.699 5.682
297 HZ3 LYS 40 HZ3 LYS 40 5.061 17.822 4.295
298 H CYS 41 H CYS 41 11.785 13.713 3.499
299 HA CYS 41 HA CYS 41 14.153 13.998 4.981
300 HB2 CYS 41 HB2 CYS 41 13.329 11.798 4.515
301 HB3 CYS 41 HB3 CYS 41 13.391 12.079 2.778
302 H GLN 42 H GLN 42 13.476 14.437 1.541
303 HA GLN 42 HA GLN 42 16.054 14.728 0.574
304 HB2 GLN 42 HB2 GLN 42 13.381 15.726 -0.260
305 HB3 GLN 42 HB3 GLN 42 14.788 16.481 -0.997
306 HG2 GLN 42 HG2 GLN 42 15.496 13.962 -1.367
307 HG3 GLN 42 HG3 GLN 42 13.753 13.718 -1.271
308 HE21 GLN 42 HE21 GLN 42 15.172 13.159 -3.562
309 HE22 GLN 42 HE22 GLN 42 14.726 14.279 -4.799
310 H ASP 43 H ASP 43 14.050 17.011 2.322
311 HA ASP 43 HA ASP 43 15.698 19.287 1.863
312 HB2 ASP 43 HB2 ASP 43 13.255 19.277 2.599
313 HB3 ASP 43 HB3 ASP 43 13.848 18.900 4.214
314 H LEU 44 H LEU 44 15.622 16.753 4.282
315 HA LEU 44 HA LEU 44 17.402 17.995 6.115
316 HB2 LEU 44 HB2 LEU 44 17.004 15.035 5.785
317 HB3 LEU 44 HB3 LEU 44 17.470 15.914 7.240
318 HG LEU 44 HG LEU 44 14.754 15.994 5.926
319 HD11 LEU 44 HD11 LEU 44 14.982 13.878 6.932
320 HD12 LEU 44 HD12 LEU 44 14.100 14.866 8.097
321 HD13 LEU 44 HD13 LEU 44 15.818 14.546 8.334
322 HD21 LEU 44 HD21 LEU 44 14.929 18.056 6.952
323 HD22 LEU 44 HD22 LEU 44 15.964 17.445 8.243
324 HD23 LEU 44 HD23 LEU 44 14.241 17.064 8.238
325 H LEU 45 H LEU 45 17.872 15.464 3.655
326 HA LEU 45 HA LEU 45 20.639 15.168 4.027
327 HB2 LEU 45 HB2 LEU 45 18.943 14.705 1.580
328 HB3 LEU 45 HB3 LEU 45 20.619 14.186 1.745
329 HG LEU 45 HG LEU 45 18.271 13.202 3.365
330 HD11 LEU 45 HD11 LEU 45 18.470 12.427 0.980
331 HD12 LEU 45 HD12 LEU 45 18.510 11.154 2.199
332 HD13 LEU 45 HD13 LEU 45 20.005 11.685 1.430
333 HD21 LEU 45 HD21 LEU 45 21.120 13.145 3.870
334 HD22 LEU 45 HD22 LEU 45 20.444 11.521 3.751
335 HD23 LEU 45 HD23 LEU 45 19.779 12.671 4.912
336 H HIS 46 H HIS 46 18.778 17.558 2.350
337 HA HIS 46 HA HIS 46 21.224 18.679 1.162
338 HB2 HIS 46 HB2 HIS 46 18.313 18.942 0.453
339 HB3 HIS 46 HB3 HIS 46 19.494 20.120 -0.113
340 HD1 HIS 46 HD1 HIS 46 20.113 16.400 0.079
341 HD2 HIS 46 HD2 HIS 46 19.523 19.378 -2.757
342 HE1 HIS 46 HE1 HIS 46 20.597 15.320 -2.140
Start of MODEL 25
1 H1 ALA 1 H1 ALA 1 -0.125 -1.259 -0.547
2 HA ALA 1 HA ALA 1 1.529 1.032 -0.703
3 HB1 ALA 1 HB1 ALA 1 1.097 0.947 1.765
4 HB2 ALA 1 HB2 ALA 1 1.954 -0.594 1.796
5 HB3 ALA 1 HB3 ALA 1 2.798 0.875 1.305
6 H ASP 2 H ASP 2 3.344 0.537 -1.792
7 HA ASP 2 HA ASP 2 4.213 -2.272 -1.855
8 HB2 ASP 2 HB2 ASP 2 3.503 -0.483 -4.141
9 HB3 ASP 2 HB3 ASP 2 4.810 -1.644 -4.355
10 H ASN 3 H ASN 3 6.406 -2.621 -2.018
11 HA ASN 3 HA ASN 3 8.089 -0.476 -1.151
12 HB2 ASN 3 HB2 ASN 3 8.217 -3.087 -0.707
13 HB3 ASN 3 HB3 ASN 3 9.234 -3.049 -2.144
14 HD21 ASN 3 HD21 ASN 3 10.327 -3.881 0.156
15 HD22 ASN 3 HD22 ASN 3 11.419 -2.697 0.781
16 H LYS 4 H LYS 4 8.989 0.992 -2.419
17 HA LYS 4 HA LYS 4 9.361 0.391 -5.265
18 HB2 LYS 4 HB2 LYS 4 9.560 3.082 -3.912
19 HB3 LYS 4 HB3 LYS 4 9.426 2.761 -5.636
20 HG2 LYS 4 HG2 LYS 4 7.289 2.117 -3.617
21 HG3 LYS 4 HG3 LYS 4 7.333 3.581 -4.602
22 HD2 LYS 4 HD2 LYS 4 7.536 0.950 -5.977
23 HD3 LYS 4 HD3 LYS 4 5.963 1.443 -5.347
24 HE2 LYS 4 HE2 LYS 4 6.553 3.699 -6.564
25 HE3 LYS 4 HE3 LYS 4 7.616 2.658 -7.510
26 HZ1 LYS 4 HZ1 LYS 4 5.494 1.214 -7.726
27 HZ2 LYS 4 HZ2 LYS 4 5.676 2.579 -8.707
28 HZ3 LYS 4 HZ3 LYS 4 4.681 2.647 -7.341
29 H CYS 5 H CYS 5 11.082 1.601 -2.424
30 HA CYS 5 HA CYS 5 13.546 2.113 -3.670
31 HB2 CYS 5 HB2 CYS 5 14.485 2.173 -1.463
32 HB3 CYS 5 HB3 CYS 5 12.870 2.868 -1.374
33 H GLU 6 H GLU 6 12.032 -0.835 -2.673
34 HA GLU 6 HA GLU 6 14.195 -2.526 -2.314
35 HB2 GLU 6 HB2 GLU 6 11.771 -3.094 -1.977
36 HB3 GLU 6 HB3 GLU 6 11.628 -3.268 -3.721
37 HG2 GLU 6 HG2 GLU 6 13.213 -5.084 -3.713
38 HG3 GLU 6 HG3 GLU 6 13.494 -4.868 -1.986
39 H ASN 7 H ASN 7 12.925 -1.139 -5.236
40 HA ASN 7 HA ASN 7 14.662 -2.838 -6.876
41 HB2 ASN 7 HB2 ASN 7 12.181 -2.397 -7.428
42 HB3 ASN 7 HB3 ASN 7 12.718 -0.798 -7.937
43 HD21 ASN 7 HD21 ASN 7 11.566 -2.137 -9.832
44 HD22 ASN 7 HD22 ASN 7 12.692 -2.816 -10.953
45 H SER 8 H SER 8 14.210 0.440 -5.786
46 HA SER 8 HA SER 8 16.326 1.420 -7.546
47 HB2 SER 8 HB2 SER 8 14.229 2.708 -5.849
48 HB3 SER 8 HB3 SER 8 15.694 3.620 -6.214
49 HG SER 8 HG SER 8 13.721 2.645 -7.968
50 H LEU 9 H LEU 9 18.350 1.212 -6.878
51 HA LEU 9 HA LEU 9 19.100 0.624 -4.223
52 HB2 LEU 9 HB2 LEU 9 21.319 0.662 -4.978
53 HB3 LEU 9 HB3 LEU 9 20.365 0.096 -6.348
54 HG LEU 9 HG LEU 9 20.456 2.702 -6.945
55 HD11 LEU 9 HD11 LEU 9 22.600 2.242 -4.984
56 HD12 LEU 9 HD12 LEU 9 21.792 3.735 -5.459
57 HD13 LEU 9 HD13 LEU 9 23.083 3.073 -6.462
58 HD21 LEU 9 HD21 LEU 9 22.233 2.170 -8.489
59 HD22 LEU 9 HD22 LEU 9 21.137 0.795 -8.358
60 HD23 LEU 9 HD23 LEU 9 22.693 0.765 -7.527
61 H ARG 10 H ARG 10 18.933 3.624 -6.046
62 HA ARG 10 HA ARG 10 20.314 5.226 -4.151
63 HB2 ARG 10 HB2 ARG 10 18.706 5.680 -6.589
64 HB3 ARG 10 HB3 ARG 10 18.734 7.012 -5.441
65 HG2 ARG 10 HG2 ARG 10 21.159 7.066 -5.528
66 HG3 ARG 10 HG3 ARG 10 21.163 5.687 -6.630
67 HD2 ARG 10 HD2 ARG 10 20.005 8.422 -7.154
68 HD3 ARG 10 HD3 ARG 10 21.456 7.733 -7.882
69 HE ARG 10 HE ARG 10 19.559 5.960 -8.581
70 HH11 ARG 10 HH11 ARG 10 19.729 9.430 -8.802
71 HH12 ARG 10 HH12 ARG 10 18.735 9.519 -10.218
72 HH21 ARG 10 HH21 ARG 10 18.249 6.063 -10.445
73 HH22 ARG 10 HH22 ARG 10 17.893 7.603 -11.152
74 H ARG 11 H ARG 11 16.878 4.577 -4.745
75 HA ARG 11 HA ARG 11 15.846 6.334 -2.814
76 HB2 ARG 11 HB2 ARG 11 14.458 5.336 -4.563
77 HB3 ARG 11 HB3 ARG 11 14.692 3.743 -3.857
78 HG2 ARG 11 HG2 ARG 11 12.572 4.403 -3.144
79 HG3 ARG 11 HG3 ARG 11 13.619 4.698 -1.754
80 HD2 ARG 11 HD2 ARG 11 13.450 6.965 -1.934
81 HD3 ARG 11 HD3 ARG 11 13.239 6.919 -3.684
82 HE ARG 11 HE ARG 11 11.184 6.985 -1.735
83 HH11 ARG 11 HH11 ARG 11 12.002 5.598 -4.822
84 HH12 ARG 11 HH12 ARG 11 10.355 5.448 -5.338
85 HH21 ARG 11 HH21 ARG 11 9.012 6.792 -2.403
86 HH22 ARG 11 HH22 ARG 11 8.655 6.128 -3.961
87 H GLU 12 H GLU 12 16.996 3.017 -2.595
88 HA GLU 12 HA GLU 12 16.080 2.577 0.069
89 HB2 GLU 12 HB2 GLU 12 16.749 0.844 -1.738
90 HB3 GLU 12 HB3 GLU 12 18.393 1.120 -1.179
91 HG2 GLU 12 HG2 GLU 12 17.528 0.575 1.146
92 HG3 GLU 12 HG3 GLU 12 16.075 -0.019 0.344
93 H ILE 13 H ILE 13 19.263 3.351 -1.319
94 HA ILE 13 HA ILE 13 20.634 3.491 1.141
95 HB ILE 13 HB ILE 13 21.280 4.877 -1.464
96 HG12 ILE 13 HG12 ILE 13 22.595 2.389 -0.418
97 HG13 ILE 13 HG13 ILE 13 21.085 2.283 -1.317
98 HG21 ILE 13 HG21 ILE 13 22.574 5.992 0.104
99 HG22 ILE 13 HG22 ILE 13 22.795 4.550 1.094
100 HG23 ILE 13 HG23 ILE 13 23.648 4.705 -0.442
101 HD11 ILE 13 HD11 ILE 13 22.712 1.958 -2.930
102 HD12 ILE 13 HD12 ILE 13 22.307 3.666 -3.104
103 HD13 ILE 13 HD13 ILE 13 23.775 3.190 -2.250
104 H ALA 14 H ALA 14 18.715 5.808 -0.636
105 HA ALA 14 HA ALA 14 19.569 8.123 0.777
106 HB1 ALA 14 HB1 ALA 14 18.567 8.454 -1.342
107 HB2 ALA 14 HB2 ALA 14 17.128 7.544 -0.883
108 HB3 ALA 14 HB3 ALA 14 17.447 9.117 -0.152
109 H CYS 15 H CYS 15 16.665 6.077 1.053
110 HA CYS 15 HA CYS 15 15.475 7.413 3.192
111 HB2 CYS 15 HB2 CYS 15 15.249 4.727 1.973
112 HB3 CYS 15 HB3 CYS 15 14.675 4.863 3.631
113 H GLY 16 H GLY 16 17.805 4.737 3.187
114 HA2 GLY 16 HA2 GLY 16 17.866 4.148 5.890
115 HA3 GLY 16 HA3 GLY 16 19.249 4.002 4.815
116 H GLN 17 H GLN 17 19.692 6.658 4.166
117 HA GLN 17 HA GLN 17 21.267 7.533 6.286
118 HB2 GLN 17 HB2 GLN 17 20.166 8.963 3.876
119 HB3 GLN 17 HB3 GLN 17 21.217 9.768 5.032
120 HG2 GLN 17 HG2 GLN 17 22.746 7.668 4.576
121 HG3 GLN 17 HG3 GLN 17 21.836 7.635 3.066
122 HE21 GLN 17 HE21 GLN 17 22.482 8.911 1.472
123 HE22 GLN 17 HE22 GLN 17 23.622 10.201 1.614
124 H CYS 18 H CYS 18 18.082 8.723 5.234
125 HA CYS 18 HA CYS 18 17.827 10.621 7.328
126 HB2 CYS 18 HB2 CYS 18 16.082 9.508 5.210
127 HB3 CYS 18 HB3 CYS 18 15.259 10.170 6.619
128 H ARG 19 H ARG 19 17.034 7.233 7.019
129 HA ARG 19 HA ARG 19 15.239 6.939 9.129
130 HB2 ARG 19 HB2 ARG 19 15.726 5.158 7.511
131 HB3 ARG 19 HB3 ARG 19 17.345 4.991 8.176
132 HG2 ARG 19 HG2 ARG 19 16.047 4.559 10.411
133 HG3 ARG 19 HG3 ARG 19 14.731 4.143 9.312
134 HD2 ARG 19 HD2 ARG 19 15.867 2.339 8.424
135 HD3 ARG 19 HD3 ARG 19 17.446 2.984 8.869
136 HE ARG 19 HE ARG 19 17.239 1.995 10.931
137 HH11 ARG 19 HH11 ARG 19 14.160 1.957 9.307
138 HH12 ARG 19 HH12 ARG 19 13.411 0.916 10.472
139 HH21 ARG 19 HH21 ARG 19 16.265 0.623 12.471
140 HH22 ARG 19 HH22 ARG 19 14.610 0.158 12.271
141 H ASP 20 H ASP 20 18.751 7.116 9.125
142 HA ASP 20 HA ASP 20 18.977 6.488 11.928
143 HB2 ASP 20 HB2 ASP 20 20.721 6.117 10.013
144 HB3 ASP 20 HB3 ASP 20 21.164 7.790 10.342
145 H LYS 21 H LYS 21 19.636 9.400 9.976
146 HA LYS 21 HA LYS 21 20.134 11.148 12.080
147 HB2 LYS 21 HB2 LYS 21 19.036 11.590 9.311
148 HB3 LYS 21 HB3 LYS 21 19.309 12.927 10.421
149 HG2 LYS 21 HG2 LYS 21 21.500 10.990 9.789
150 HG3 LYS 21 HG3 LYS 21 21.135 12.338 8.710
151 HD2 LYS 21 HD2 LYS 21 21.705 13.934 10.318
152 HD3 LYS 21 HD3 LYS 21 21.569 12.778 11.645
153 HE2 LYS 21 HE2 LYS 21 23.556 11.611 10.836
154 HE3 LYS 21 HE3 LYS 21 23.683 12.745 9.492
155 HZ1 LYS 21 HZ1 LYS 21 24.772 14.160 10.778
156 HZ2 LYS 21 HZ2 LYS 21 24.787 13.004 12.014
157 HZ3 LYS 21 HZ3 LYS 21 23.544 14.149 11.942
158 H VAL 22 H VAL 22 17.076 10.862 10.258
159 HA VAL 22 HA VAL 22 15.514 12.499 11.839
160 HB VAL 22 HB VAL 22 14.636 9.979 10.421
161 HG11 VAL 22 HG11 VAL 22 13.187 12.028 11.941
162 HG12 VAL 22 HG12 VAL 22 12.519 11.681 10.345
163 HG13 VAL 22 HG13 VAL 22 12.718 10.381 11.520
164 HG21 VAL 22 HG21 VAL 22 14.419 12.797 9.404
165 HG22 VAL 22 HG22 VAL 22 15.833 11.793 9.084
166 HG23 VAL 22 HG23 VAL 22 14.244 11.287 8.510
167 H LYS 23 H LYS 23 16.580 9.235 12.433
168 HA LYS 23 HA LYS 23 16.329 7.813 14.193
169 HB2 LYS 23 HB2 LYS 23 16.098 10.515 15.479
170 HB3 LYS 23 HB3 LYS 23 15.898 9.058 16.443
171 HG2 LYS 23 HG2 LYS 23 18.172 8.387 15.313
172 HG3 LYS 23 HG3 LYS 23 18.326 10.133 15.106
173 HD2 LYS 23 HD2 LYS 23 19.376 9.584 17.167
174 HD3 LYS 23 HD3 LYS 23 17.841 10.360 17.565
175 HE2 LYS 23 HE2 LYS 23 16.886 8.393 18.295
176 HE3 LYS 23 HE3 LYS 23 17.958 7.388 17.322
177 HZ1 LYS 23 HZ1 LYS 23 19.726 8.480 18.945
178 HZ2 LYS 23 HZ2 LYS 23 18.901 7.056 19.333
179 HZ3 LYS 23 HZ3 LYS 23 18.380 8.534 19.968
180 H THR 24 H THR 24 14.229 7.442 12.812
181 HA THR 24 HA THR 24 12.021 7.375 14.734
182 HB THR 24 HB THR 24 11.726 8.320 11.876
183 HG1 THR 24 HG1 THR 24 11.159 9.673 14.320
184 HG21 THR 24 HG21 THR 24 9.328 8.679 12.592
185 HG22 THR 24 HG22 THR 24 9.686 7.679 14.000
186 HG23 THR 24 HG23 THR 24 9.815 6.999 12.378
187 H ASP 25 H ASP 25 11.506 5.310 14.980
188 HA ASP 25 HA ASP 25 12.293 3.249 13.233
189 HB2 ASP 25 HB2 ASP 25 10.918 1.784 14.620
190 HB3 ASP 25 HB3 ASP 25 11.839 2.896 15.630
191 H GLY 26 H GLY 26 11.427 2.508 11.408
192 HA2 GLY 26 HA2 GLY 26 9.644 1.795 10.027
193 HA3 GLY 26 HA3 GLY 26 8.557 2.836 10.934
194 H TYR 27 H TYR 27 11.073 4.778 10.474
195 HA TYR 27 HA TYR 27 9.810 6.358 8.519
196 HB2 TYR 27 HB2 TYR 27 11.431 7.157 10.279
197 HB3 TYR 27 HB3 TYR 27 12.727 6.486 9.295
198 HD1 TYR 27 HD1 TYR 27 13.336 7.517 7.168
199 HD2 TYR 27 HD2 TYR 27 10.271 9.172 9.611
200 HE1 TYR 27 HE1 TYR 27 13.442 9.607 5.874
201 HE2 TYR 27 HE2 TYR 27 10.367 11.265 8.324
202 HH TYR 27 HH TYR 27 11.230 11.766 5.685
203 H PHE 28 H PHE 28 12.681 4.270 8.332
204 HA PHE 28 HA PHE 28 13.392 4.721 5.699
205 HB2 PHE 28 HB2 PHE 28 14.833 3.422 7.101
206 HB3 PHE 28 HB3 PHE 28 13.583 2.211 7.366
207 HD1 PHE 28 HD1 PHE 28 13.034 0.590 5.638
208 HD2 PHE 28 HD2 PHE 28 16.135 3.453 5.084
209 HE1 PHE 28 HE1 PHE 28 13.894 -0.714 3.737
210 HE2 PHE 28 HE2 PHE 28 16.999 2.154 3.181
211 HZ PHE 28 HZ PHE 28 15.877 0.068 2.505
212 H TYR 29 H TYR 29 11.245 2.155 6.927
213 HA TYR 29 HA TYR 29 10.496 1.244 4.344
214 HB2 TYR 29 HB2 TYR 29 10.316 -0.248 6.232
215 HB3 TYR 29 HB3 TYR 29 9.213 0.851 7.054
216 HD1 TYR 29 HD1 TYR 29 6.887 1.061 6.315
217 HD2 TYR 29 HD2 TYR 29 9.546 -1.697 4.464
218 HE1 TYR 29 HE1 TYR 29 4.970 -0.094 5.296
219 HE2 TYR 29 HE2 TYR 29 7.636 -2.859 3.439
220 HH TYR 29 HH TYR 29 5.261 -3.143 3.769
221 H GLU 30 H GLU 30 9.350 3.763 6.431
222 HA GLU 30 HA GLU 30 6.762 4.073 5.325
223 HB2 GLU 30 HB2 GLU 30 7.213 5.049 7.459
224 HB3 GLU 30 HB3 GLU 30 8.568 5.970 6.821
225 HG2 GLU 30 HG2 GLU 30 6.585 7.354 7.228
226 HG3 GLU 30 HG3 GLU 30 7.081 7.359 5.537
227 H CYS 31 H CYS 31 9.774 5.900 4.775
228 HA CYS 31 HA CYS 31 8.696 7.418 2.622
229 HB2 CYS 31 HB2 CYS 31 11.058 8.091 2.231
230 HB3 CYS 31 HB3 CYS 31 10.552 8.295 3.905
231 H CYS 32 H CYS 32 10.273 4.333 2.875
232 HA CYS 32 HA CYS 32 11.184 4.015 0.250
233 HB2 CYS 32 HB2 CYS 32 10.594 2.262 2.534
234 HB3 CYS 32 HB3 CYS 32 10.430 1.478 0.966
235 H THR 33 H THR 33 7.993 3.978 1.555
236 HA THR 33 HA THR 33 6.940 3.051 -1.038
237 HB THR 33 HB THR 33 4.974 2.227 0.061
238 HG1 THR 33 HG1 THR 33 4.463 3.404 1.769
239 HG21 THR 33 HG21 THR 33 5.912 0.497 1.525
240 HG22 THR 33 HG22 THR 33 7.423 1.400 1.624
241 HG23 THR 33 HG23 THR 33 6.901 0.722 0.083
242 H SER 34 H SER 34 6.982 5.561 1.327
243 HA SER 34 HA SER 34 4.788 6.970 -0.026
244 HB2 SER 34 HB2 SER 34 4.573 8.326 1.925
245 HB3 SER 34 HB3 SER 34 4.754 6.667 2.496
246 HG SER 34 HG SER 34 6.252 7.595 3.678
247 H ASP 35 H ASP 35 5.447 8.222 -1.639
248 HA ASP 35 HA ASP 35 8.088 9.188 -1.940
249 HB2 ASP 35 HB2 ASP 35 7.250 10.391 -3.867
250 HB3 ASP 35 HB3 ASP 35 6.522 8.788 -3.828
251 H SER 36 H SER 36 5.130 10.618 -0.678
252 HA SER 36 HA SER 36 5.903 13.284 -0.546
253 HB2 SER 36 HB2 SER 36 4.335 13.280 1.541
254 HB3 SER 36 HB3 SER 36 3.656 12.912 -0.044
255 HG SER 36 HG SER 36 2.928 11.314 1.249
256 H THR 37 H THR 37 6.220 10.782 1.971
257 HA THR 37 HA THR 37 7.498 12.295 3.905
258 HB THR 37 HB THR 37 8.024 9.378 3.305
259 HG1 THR 37 HG1 THR 37 5.946 10.723 4.673
260 HG21 THR 37 HG21 THR 37 9.086 11.151 5.273
261 HG22 THR 37 HG22 THR 37 9.385 9.425 5.066
262 HG23 THR 37 HG23 THR 37 8.046 9.974 6.074
263 H PHE 38 H PHE 38 8.749 10.982 0.943
264 HA PHE 38 HA PHE 38 11.510 11.147 1.612
265 HB2 PHE 38 HB2 PHE 38 10.344 9.842 -0.315
266 HB3 PHE 38 HB3 PHE 38 10.479 11.357 -1.201
267 HD1 PHE 38 HD1 PHE 38 12.424 8.737 0.535
268 HD2 PHE 38 HD2 PHE 38 12.511 12.017 -2.176
269 HE1 PHE 38 HE1 PHE 38 14.737 8.164 -0.078
270 HE2 PHE 38 HE2 PHE 38 14.824 11.450 -2.794
271 HZ PHE 38 HZ PHE 38 15.940 9.521 -1.745
272 H LYS 39 H LYS 39 9.165 13.386 0.312
273 HA LYS 39 HA LYS 39 10.830 15.330 -0.768
274 HB2 LYS 39 HB2 LYS 39 8.195 15.636 0.679
275 HB3 LYS 39 HB3 LYS 39 8.977 16.928 -0.222
276 HG2 LYS 39 HG2 LYS 39 8.946 15.087 -2.136
277 HG3 LYS 39 HG3 LYS 39 7.565 14.516 -1.196
278 HD2 LYS 39 HD2 LYS 39 7.867 17.381 -2.065
279 HD3 LYS 39 HD3 LYS 39 7.062 16.164 -3.059
280 HE2 LYS 39 HE2 LYS 39 5.523 15.713 -1.168
281 HE3 LYS 39 HE3 LYS 39 6.285 17.028 -0.275
282 HZ1 LYS 39 HZ1 LYS 39 5.570 18.012 -2.783
283 HZ2 LYS 39 HZ2 LYS 39 4.918 18.428 -1.278
284 HZ3 LYS 39 HZ3 LYS 39 4.229 17.174 -2.181
285 H LYS 40 H LYS 40 9.532 15.171 2.549
286 HA LYS 40 HA LYS 40 10.892 17.400 3.549
287 HB2 LYS 40 HB2 LYS 40 9.678 14.963 4.792
288 HB3 LYS 40 HB3 LYS 40 10.643 16.044 5.788
289 HG2 LYS 40 HG2 LYS 40 8.449 16.774 6.079
290 HG3 LYS 40 HG3 LYS 40 9.139 17.912 4.919
291 HD2 LYS 40 HD2 LYS 40 8.092 16.703 3.084
292 HD3 LYS 40 HD3 LYS 40 7.444 15.514 4.217
293 HE2 LYS 40 HE2 LYS 40 5.639 16.924 3.889
294 HE3 LYS 40 HE3 LYS 40 6.358 17.570 5.363
295 HZ1 LYS 40 HZ1 LYS 40 5.942 18.861 2.891
296 HZ2 LYS 40 HZ2 LYS 40 7.598 18.847 3.235
297 HZ3 LYS 40 HZ3 LYS 40 6.510 19.514 4.345
298 H CYS 41 H CYS 41 11.851 14.008 3.341
299 HA CYS 41 HA CYS 41 14.235 14.238 4.838
300 HB2 CYS 41 HB2 CYS 41 13.326 12.057 4.474
301 HB3 CYS 41 HB3 CYS 41 13.354 12.269 2.726
302 H GLN 42 H GLN 42 13.521 14.609 1.402
303 HA GLN 42 HA GLN 42 16.089 14.732 0.376
304 HB2 GLN 42 HB2 GLN 42 13.468 15.900 -0.427
305 HB3 GLN 42 HB3 GLN 42 14.915 16.490 -1.234
306 HG2 GLN 42 HG2 GLN 42 15.365 13.881 -1.473
307 HG3 GLN 42 HG3 GLN 42 13.605 13.842 -1.374
308 HE21 GLN 42 HE21 GLN 42 12.644 13.871 -3.262
309 HE22 GLN 42 HE22 GLN 42 13.220 14.648 -4.694
310 H ASP 43 H ASP 43 14.243 17.180 2.083
311 HA ASP 43 HA ASP 43 16.020 19.337 1.541
312 HB2 ASP 43 HB2 ASP 43 13.583 19.481 2.307
313 HB3 ASP 43 HB3 ASP 43 14.187 19.145 3.927
314 H LEU 44 H LEU 44 15.720 16.988 4.156
315 HA LEU 44 HA LEU 44 17.566 18.123 5.933
316 HB2 LEU 44 HB2 LEU 44 16.975 15.197 5.515
317 HB3 LEU 44 HB3 LEU 44 17.699 15.924 6.948
318 HG LEU 44 HG LEU 44 14.863 16.266 5.981
319 HD11 LEU 44 HD11 LEU 44 14.343 14.590 7.336
320 HD12 LEU 44 HD12 LEU 44 15.199 15.347 8.679
321 HD13 LEU 44 HD13 LEU 44 16.066 14.292 7.563
322 HD21 LEU 44 HD21 LEU 44 14.584 17.535 8.118
323 HD22 LEU 44 HD22 LEU 44 15.551 18.359 6.894
324 HD23 LEU 44 HD23 LEU 44 16.342 17.569 8.259
325 H LEU 45 H LEU 45 18.041 15.577 3.486
326 HA LEU 45 HA LEU 45 20.797 15.259 3.877
327 HB2 LEU 45 HB2 LEU 45 19.091 14.811 1.436
328 HB3 LEU 45 HB3 LEU 45 20.780 14.321 1.557
329 HG LEU 45 HG LEU 45 18.480 13.269 3.202
330 HD11 LEU 45 HD11 LEU 45 18.682 12.522 0.806
331 HD12 LEU 45 HD12 LEU 45 18.750 11.241 2.015
332 HD13 LEU 45 HD13 LEU 45 20.233 11.806 1.245
333 HD21 LEU 45 HD21 LEU 45 20.143 11.705 4.123
334 HD22 LEU 45 HD22 LEU 45 20.482 13.380 4.559
335 HD23 LEU 45 HD23 LEU 45 21.418 12.593 3.287
336 H HIS 46 H HIS 46 18.983 17.679 2.190
337 HA HIS 46 HA HIS 46 21.505 18.881 1.253
338 HB2 HIS 46 HB2 HIS 46 18.817 18.698 -0.059
339 HB3 HIS 46 HB3 HIS 46 19.869 20.063 -0.421
340 HD1 HIS 46 HD1 HIS 46 21.520 19.698 -2.235
341 HD2 HIS 46 HD2 HIS 46 20.144 16.118 -0.637
342 HE1 HIS 46 HE1 HIS 46 22.536 17.891 -3.659