Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584355 | 2mwe RC | 25314 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 433 HT1 SER 433 -9.005 4.820 6.766
2 HA SER 433 HA SER 433 -8.896 1.892 6.353
3 HB2 SER 433 HB2 SER 433 -11.284 3.750 6.320
4 HB3 SER 433 HB1 SER 433 -11.296 1.985 6.294
5 HG SER 433 HG SER 433 -11.509 2.233 8.382
6 H GLU 434 HN GLU 434 -8.208 4.765 4.915
7 HA GLU 434 HA GLU 434 -9.517 4.227 2.366
8 HB2 GLU 434 HB2 GLU 434 -8.601 6.421 1.691
9 HB3 GLU 434 HB1 GLU 434 -9.573 6.520 3.150
10 HG2 GLU 434 HG2 GLU 434 -6.568 6.373 3.170
11 HG3 GLU 434 HG1 GLU 434 -7.470 7.885 3.140
12 H TRP 435 HN TRP 435 -6.541 3.668 3.908
13 HA TRP 435 HA TRP 435 -5.051 3.409 1.426
14 HB2 TRP 435 HB2 TRP 435 -4.239 2.854 4.293
15 HB3 TRP 435 HB1 TRP 435 -3.164 2.764 2.903
16 HD1 TRP 435 HD1 TRP 435 -5.032 5.309 5.077
17 HE1 TRP 435 HE1 TRP 435 -3.989 7.636 4.719
18 HE3 TRP 435 HE3 TRP 435 -1.825 4.171 1.261
19 HZ2 TRP 435 HZ2 TRP 435 -2.046 8.821 3.051
20 HZ3 TRP 435 HZ3 TRP 435 -0.408 5.963 0.342
21 HH2 TRP 435 HH2 TRP 435 -0.518 8.239 1.220
22 H THR 436 HN THR 436 -5.083 1.602 0.281
23 HA THR 436 HA THR 436 -6.187 -0.819 1.462
24 HB THR 436 HB THR 436 -5.423 -0.183 -1.395
25 HG1 THR 436 HG1 THR 436 -7.699 0.201 0.127
26 HG21 THR 436 HG21 THR 436 -5.241 -2.587 -0.965
27 HG22 THR 436 HG22 THR 436 -6.643 -2.243 -1.983
28 HG23 THR 436 HG23 THR 436 -6.864 -2.593 -0.269
29 H GLU 437 HN GLU 437 -4.904 -2.394 2.226
30 HA GLU 437 HA GLU 437 -2.109 -2.441 1.417
31 HB2 GLU 437 HB2 GLU 437 -1.850 -4.228 3.092
32 HB3 GLU 437 HB1 GLU 437 -2.580 -2.791 3.793
33 HG2 GLU 437 HG2 GLU 437 -4.691 -3.800 3.931
34 HG3 GLU 437 HG1 GLU 437 -4.226 -5.109 2.844
35 H ARG 438 HN ARG 438 -1.550 -3.502 -0.336
36 HA ARG 438 HA ARG 438 -3.504 -5.352 -1.458
37 HB2 ARG 438 HB2 ARG 438 -1.170 -3.852 -2.640
38 HB3 ARG 438 HB1 ARG 438 -1.993 -5.143 -3.516
39 HG2 ARG 438 HG2 ARG 438 -4.069 -3.945 -3.460
40 HG3 ARG 438 HG1 ARG 438 -3.380 -2.713 -2.404
41 HD2 ARG 438 HD2 ARG 438 -3.548 -1.961 -4.736
42 HD3 ARG 438 HD1 ARG 438 -1.883 -1.996 -4.162
43 HE ARG 438 HE ARG 438 -2.240 -4.423 -5.373
44 HH11 ARG 438 HH11 ARG 438 -2.686 -1.099 -6.386
45 HH12 ARG 438 HH12 ARG 438 -2.222 -1.398 -8.034
46 HH21 ARG 438 HH21 ARG 438 -1.630 -4.824 -7.523
47 HH22 ARG 438 HH22 ARG 438 -1.653 -3.533 -8.684
48 H LYS 439 HN LYS 439 -3.300 -7.372 -1.010
49 HA LYS 439 HA LYS 439 -0.765 -8.379 -0.025
50 HB2 LYS 439 HB2 LYS 439 -3.451 -9.765 -0.166
51 HB3 LYS 439 HB1 LYS 439 -2.035 -10.322 0.710
52 HG2 LYS 439 HG2 LYS 439 -2.200 -8.476 2.250
53 HG3 LYS 439 HG1 LYS 439 -3.526 -7.777 1.316
54 HD2 LYS 439 HD2 LYS 439 -4.885 -9.772 1.777
55 HD3 LYS 439 HD1 LYS 439 -3.565 -10.442 2.734
56 HE2 LYS 439 HE2 LYS 439 -4.957 -7.835 3.336
57 HE3 LYS 439 HE1 LYS 439 -5.368 -9.377 4.082
58 HZ1 LYS 439 HZ1 LYS 439 -3.936 -8.239 5.556
59 HZ2 LYS 439 HZ2 LYS 439 -2.829 -7.867 4.337
60 HZ3 LYS 439 HZ3 LYS 439 -3.004 -9.474 4.860
61 H THR 440 HN THR 440 0.411 -8.511 -1.918
62 HA THR 440 HA THR 440 -0.490 -10.372 -3.962
63 HB THR 440 HB THR 440 1.773 -9.935 -4.989
64 HG1 THR 440 HG1 THR 440 2.118 -8.659 -2.593
65 HG21 THR 440 HG21 THR 440 -0.224 -8.724 -5.705
66 HG22 THR 440 HG22 THR 440 1.200 -7.686 -5.758
67 HG23 THR 440 HG23 THR 440 0.042 -7.526 -4.438
68 H ALA 441 HN ALA 441 0.233 -12.411 -4.272
69 HA ALA 441 HA ALA 441 1.239 -13.807 -2.006
70 HB1 ALA 441 HB1 ALA 441 -0.359 -14.792 -3.594
71 HB2 ALA 441 HB2 ALA 441 1.077 -15.793 -3.387
72 HB3 ALA 441 HB3 ALA 441 0.895 -14.801 -4.833
73 H ASP 442 HN ASP 442 2.857 -11.878 -3.998
74 HA ASP 442 HA ASP 442 5.241 -13.363 -4.494
75 HB2 ASP 442 HB2 ASP 442 4.540 -11.350 -5.786
76 HB3 ASP 442 HB1 ASP 442 4.827 -10.366 -4.356
77 H GLY 443 HN GLY 443 3.820 -12.296 -1.722
78 HA2 GLY 443 HA2 GLY 443 4.655 -12.621 0.442
79 HA3 GLY 443 HA1 GLY 443 6.286 -12.635 -0.210
80 H LYS 444 HN LYS 444 3.931 -10.130 -0.921
81 HA LYS 444 HA LYS 444 5.066 -8.367 1.081
82 HB2 LYS 444 HB2 LYS 444 5.590 -6.593 -0.589
83 HB3 LYS 444 HB1 LYS 444 6.650 -7.990 -0.674
84 HG2 LYS 444 HG2 LYS 444 5.727 -8.715 -2.689
85 HG3 LYS 444 HG1 LYS 444 4.275 -7.729 -2.484
86 HD2 LYS 444 HD2 LYS 444 5.590 -5.703 -2.778
87 HD3 LYS 444 HD1 LYS 444 7.062 -6.662 -2.933
88 HE2 LYS 444 HE2 LYS 444 4.805 -7.259 -4.770
89 HE3 LYS 444 HE1 LYS 444 5.722 -5.780 -5.045
90 HZ1 LYS 444 HZ1 LYS 444 6.618 -7.621 -6.316
91 HZ2 LYS 444 HZ2 LYS 444 6.869 -8.528 -4.902
92 HZ3 LYS 444 HZ3 LYS 444 7.745 -7.095 -5.161
93 H THR 445 HN THR 445 3.638 -6.926 1.817
94 HA THR 445 HA THR 445 1.221 -6.407 0.211
95 HB THR 445 HB THR 445 0.706 -7.475 2.379
96 HG1 THR 445 HG1 THR 445 -0.806 -5.890 3.068
97 HG21 THR 445 HG21 THR 445 2.619 -6.689 3.678
98 HG22 THR 445 HG22 THR 445 1.104 -6.277 4.482
99 HG23 THR 445 HG23 THR 445 2.003 -5.039 3.607
100 H TYR 446 HN TYR 446 0.581 -4.226 -0.059
101 HA TYR 446 HA TYR 446 2.363 -2.183 1.011
102 HB2 TYR 446 HB2 TYR 446 2.539 -1.190 -1.357
103 HB3 TYR 446 HB1 TYR 446 3.575 -2.550 -0.951
104 HD1 TYR 446 HD1 TYR 446 0.654 -1.475 -2.913
105 HD2 TYR 446 HD2 TYR 446 3.312 -4.680 -2.040
106 HE1 TYR 446 HE1 TYR 446 -0.135 -2.669 -4.907
107 HE2 TYR 446 HE2 TYR 446 2.518 -5.888 -4.029
108 HH TYR 446 HH TYR 446 0.560 -5.945 -5.489
109 H TYR 447 HN TYR 447 1.446 -0.166 1.178
110 HA TYR 447 HA TYR 447 -1.460 -0.267 1.013
111 HB2 TYR 447 HB2 TYR 447 0.090 2.028 2.179
112 HB3 TYR 447 HB1 TYR 447 -1.520 1.452 2.598
113 HD1 TYR 447 HD1 TYR 447 -1.148 -1.384 3.115
114 HD2 TYR 447 HD2 TYR 447 1.413 1.880 4.067
115 HE1 TYR 447 HE1 TYR 447 -0.167 -2.691 4.958
116 HE2 TYR 447 HE2 TYR 447 2.387 0.581 5.912
117 HH TYR 447 HH TYR 447 1.783 -2.787 6.311
118 H TYR 448 HN TYR 448 -1.911 0.045 -1.101
119 HA TYR 448 HA TYR 448 -0.804 2.350 -2.485
120 HB2 TYR 448 HB2 TYR 448 -1.218 -0.072 -3.451
121 HB3 TYR 448 HB1 TYR 448 -2.847 0.544 -3.710
122 HD1 TYR 448 HD1 TYR 448 -2.945 2.903 -4.934
123 HD2 TYR 448 HD2 TYR 448 0.338 0.202 -5.128
124 HE1 TYR 448 HE1 TYR 448 -2.197 3.967 -7.019
125 HE2 TYR 448 HE2 TYR 448 1.095 1.262 -7.214
126 HH TYR 448 HH TYR 448 0.106 4.210 -8.239
127 H ASN 449 HN ASN 449 -1.777 4.210 -2.552
128 HA ASN 449 HA ASN 449 -4.707 4.312 -2.490
129 HB2 ASN 449 HB2 ASN 449 -3.713 4.865 -0.215
130 HB3 ASN 449 HB1 ASN 449 -2.947 6.254 -0.972
131 HD21 ASN 449 HD21 ASN 449 -4.865 6.205 1.180
132 HD22 ASN 449 HD22 ASN 449 -6.239 7.105 0.644
133 H ASN 450 HN ASN 450 -5.519 5.625 -4.005
134 HA ASN 450 HA ASN 450 -3.856 6.718 -6.015
135 HB2 ASN 450 HB2 ASN 450 -6.183 5.919 -6.387
136 HB3 ASN 450 HB1 ASN 450 -6.777 7.304 -5.480
137 HD21 ASN 450 HD21 ASN 450 -4.084 7.347 -7.751
138 HD22 ASN 450 HD22 ASN 450 -4.851 8.373 -8.917
139 H ARG 451 HN ARG 451 -4.856 7.931 -2.998
140 HA ARG 451 HA ARG 451 -4.952 10.679 -3.375
141 HB2 ARG 451 HB2 ARG 451 -5.407 9.437 -1.243
142 HB3 ARG 451 HB1 ARG 451 -3.671 9.267 -1.031
143 HG2 ARG 451 HG2 ARG 451 -3.431 11.681 -0.902
144 HG3 ARG 451 HG1 ARG 451 -5.164 11.878 -1.174
145 HD2 ARG 451 HD2 ARG 451 -5.559 10.521 0.888
146 HD3 ARG 451 HD1 ARG 451 -3.822 10.561 1.182
147 HE ARG 451 HE ARG 451 -4.719 13.195 0.841
148 HH11 ARG 451 HH11 ARG 451 -4.996 10.554 3.140
149 HH12 ARG 451 HH12 ARG 451 -5.294 11.594 4.489
150 HH21 ARG 451 HH21 ARG 451 -5.125 14.559 2.618
151 HH22 ARG 451 HH22 ARG 451 -5.367 13.878 4.202
152 H THR 452 HN THR 452 -2.156 8.567 -2.957
153 HA THR 452 HA THR 452 -0.418 10.771 -3.856
154 HB THR 452 HB THR 452 0.474 8.213 -2.504
155 HG1 THR 452 HG1 THR 452 0.393 10.673 -1.135
156 HG21 THR 452 HG21 THR 452 2.212 9.398 -3.761
157 HG22 THR 452 HG22 THR 452 2.512 9.500 -2.026
158 HG23 THR 452 HG23 THR 452 1.840 10.885 -2.887
159 H ALA 453 HN ALA 453 -1.968 7.997 -4.862
160 HA ALA 453 HA ALA 453 -1.836 6.586 -6.635
161 HB1 ALA 453 HB1 ALA 453 0.048 8.672 -7.737
162 HB2 ALA 453 HB2 ALA 453 -1.705 8.651 -7.929
163 HB3 ALA 453 HB3 ALA 453 -0.721 7.384 -8.665
164 H GLU 454 HN GLU 454 -0.069 6.257 -4.384
165 HA GLU 454 HA GLU 454 2.211 4.881 -5.633
166 HB2 GLU 454 HB2 GLU 454 3.107 7.010 -4.987
167 HB3 GLU 454 HB1 GLU 454 2.315 6.936 -3.423
168 HG2 GLU 454 HG2 GLU 454 4.638 6.537 -3.109
169 HG3 GLU 454 HG1 GLU 454 3.778 5.028 -2.826
170 H SER 455 HN SER 455 3.045 3.155 -4.456
171 HA SER 455 HA SER 455 1.296 2.087 -2.386
172 HB2 SER 455 HB2 SER 455 2.857 0.079 -2.609
173 HB3 SER 455 HB1 SER 455 1.882 0.467 -4.026
174 HG SER 455 HG SER 455 4.411 1.640 -3.801
175 H THR 456 HN THR 456 1.672 2.600 -0.365
176 HA THR 456 HA THR 456 4.284 3.603 0.427
177 HB THR 456 HB THR 456 1.729 3.408 2.043
178 HG1 THR 456 HG1 THR 456 1.466 4.779 0.237
179 HG21 THR 456 HG21 THR 456 2.792 5.131 3.444
180 HG22 THR 456 HG22 THR 456 4.254 5.010 2.468
181 HG23 THR 456 HG23 THR 456 3.724 3.633 3.435
182 H TRP 457 HN TRP 457 5.724 2.458 1.509
183 HA TRP 457 HA TRP 457 4.952 -0.201 2.493
184 HB2 TRP 457 HB2 TRP 457 7.742 0.848 1.969
185 HB3 TRP 457 HB1 TRP 457 7.266 -0.826 2.242
186 HD1 TRP 457 HD1 TRP 457 7.175 1.907 -0.444
187 HE1 TRP 457 HE1 TRP 457 6.712 0.814 -2.727
188 HE3 TRP 457 HE3 TRP 457 6.249 -2.869 1.129
189 HZ2 TRP 457 HZ2 TRP 457 6.046 -1.739 -3.722
190 HZ3 TRP 457 HZ3 TRP 457 5.715 -4.578 -0.555
191 HH2 TRP 457 HH2 TRP 457 5.619 -4.024 -2.933
192 H GLU 458 HN GLU 458 5.994 2.904 3.440
193 HA GLU 458 HA GLU 458 7.250 2.262 5.896
194 HB2 GLU 458 HB2 GLU 458 7.565 4.403 4.680
195 HB3 GLU 458 HB1 GLU 458 5.901 4.836 5.045
196 HG2 GLU 458 HG2 GLU 458 7.507 5.937 6.525
197 HG3 GLU 458 HG1 GLU 458 6.389 4.895 7.403
198 H LYS 459 HN LYS 459 6.447 2.492 7.997
199 HA LYS 459 HA LYS 459 3.749 1.538 8.327
200 HB2 LYS 459 HB2 LYS 459 5.889 2.219 10.346
201 HB3 LYS 459 HB1 LYS 459 4.355 1.456 10.732
202 HG2 LYS 459 HG2 LYS 459 6.329 0.240 8.820
203 HG3 LYS 459 HG1 LYS 459 6.377 -0.052 10.559
204 HD2 LYS 459 HD2 LYS 459 5.159 -1.856 9.702
205 HD3 LYS 459 HD1 LYS 459 3.927 -0.759 10.323
206 HE2 LYS 459 HE2 LYS 459 3.143 -1.493 8.227
207 HE3 LYS 459 HE1 LYS 459 3.740 0.146 7.973
208 HZ1 LYS 459 HZ1 LYS 459 4.473 -1.265 6.197
209 HZ2 LYS 459 HZ2 LYS 459 5.144 -2.379 7.277
210 HZ3 LYS 459 HZ3 LYS 459 5.828 -0.834 7.124
211 HA PRO 460 HA PRO 460 2.272 5.762 9.185
212 HB2 PRO 460 HB2 PRO 460 -0.398 4.663 9.066
213 HB3 PRO 460 HB1 PRO 460 0.373 5.796 7.956
214 HG2 PRO 460 HG2 PRO 460 -0.287 3.213 7.315
215 HG3 PRO 460 HG1 PRO 460 0.978 4.153 6.507
216 HD2 PRO 460 HD2 PRO 460 1.229 2.028 8.590
217 HD3 PRO 460 HD1 PRO 460 2.269 2.388 7.195
Start of MODEL 2
1 H SER 433 HT1 SER 433 -10.301 4.438 6.600
2 HA SER 433 HA SER 433 -10.398 2.815 4.765
3 HB2 SER 433 HB2 SER 433 -11.910 5.354 4.120
4 HB3 SER 433 HB1 SER 433 -12.445 3.685 3.914
5 HG SER 433 HG SER 433 -13.066 3.639 5.930
6 H GLU 434 HN GLU 434 -8.173 5.014 4.278
7 HA GLU 434 HA GLU 434 -8.493 5.266 1.366
8 HB2 GLU 434 HB2 GLU 434 -8.359 7.361 2.625
9 HB3 GLU 434 HB1 GLU 434 -6.838 6.853 3.339
10 HG2 GLU 434 HG2 GLU 434 -5.717 7.022 1.247
11 HG3 GLU 434 HG1 GLU 434 -7.240 7.277 0.393
12 H TRP 435 HN TRP 435 -6.933 3.393 3.597
13 HA TRP 435 HA TRP 435 -4.434 3.251 2.067
14 HB2 TRP 435 HB2 TRP 435 -4.980 2.246 4.869
15 HB3 TRP 435 HB1 TRP 435 -3.412 2.293 4.061
16 HD1 TRP 435 HD1 TRP 435 -4.806 4.061 6.734
17 HE1 TRP 435 HE1 TRP 435 -4.184 6.572 6.773
18 HE3 TRP 435 HE3 TRP 435 -3.219 4.599 1.913
19 HZ2 TRP 435 HZ2 TRP 435 -3.176 8.504 5.006
20 HZ3 TRP 435 HZ3 TRP 435 -2.458 6.806 1.167
21 HH2 TRP 435 HH2 TRP 435 -2.438 8.720 2.673
22 H THR 436 HN THR 436 -4.356 1.685 0.630
23 HA THR 436 HA THR 436 -6.011 -0.688 0.938
24 HB THR 436 HB THR 436 -4.204 0.208 -1.318
25 HG1 THR 436 HG1 THR 436 -6.623 0.976 -0.651
26 HG21 THR 436 HG21 THR 436 -5.242 -1.601 -2.640
27 HG22 THR 436 HG22 THR 436 -6.070 -2.171 -1.194
28 HG23 THR 436 HG23 THR 436 -4.308 -2.232 -1.281
29 H GLU 437 HN GLU 437 -5.262 -2.565 1.690
30 HA GLU 437 HA GLU 437 -2.397 -3.003 1.910
31 HB2 GLU 437 HB2 GLU 437 -3.077 -5.171 2.966
32 HB3 GLU 437 HB1 GLU 437 -3.692 -3.755 3.804
33 HG2 GLU 437 HG2 GLU 437 -5.870 -4.158 3.175
34 HG3 GLU 437 HG1 GLU 437 -5.399 -5.100 1.763
35 H ARG 438 HN ARG 438 -1.366 -3.684 0.103
36 HA ARG 438 HA ARG 438 -2.955 -5.309 -1.754
37 HB2 ARG 438 HB2 ARG 438 -0.509 -3.599 -2.190
38 HB3 ARG 438 HB1 ARG 438 -1.044 -4.793 -3.374
39 HG2 ARG 438 HG2 ARG 438 -3.256 -3.657 -3.434
40 HG3 ARG 438 HG1 ARG 438 -2.593 -2.411 -2.379
41 HD2 ARG 438 HD2 ARG 438 -2.549 -1.713 -4.717
42 HD3 ARG 438 HD1 ARG 438 -0.920 -1.857 -4.057
43 HE ARG 438 HE ARG 438 -1.221 -4.250 -5.198
44 HH11 ARG 438 HH11 ARG 438 -2.061 -1.081 -6.424
45 HH12 ARG 438 HH12 ARG 438 -1.686 -1.466 -8.074
46 HH21 ARG 438 HH21 ARG 438 -0.711 -4.765 -7.357
47 HH22 ARG 438 HH22 ARG 438 -0.888 -3.567 -8.607
48 H LYS 439 HN LYS 439 -2.830 -7.279 -1.070
49 HA LYS 439 HA LYS 439 -0.278 -8.324 -0.121
50 HB2 LYS 439 HB2 LYS 439 -2.373 -8.454 1.283
51 HB3 LYS 439 HB1 LYS 439 -3.010 -9.585 0.101
52 HG2 LYS 439 HG2 LYS 439 -1.326 -11.187 0.618
53 HG3 LYS 439 HG1 LYS 439 -0.456 -10.025 1.626
54 HD2 LYS 439 HD2 LYS 439 -3.216 -11.136 2.158
55 HD3 LYS 439 HD1 LYS 439 -1.733 -11.574 3.013
56 HE2 LYS 439 HE2 LYS 439 -1.508 -9.289 3.828
57 HE3 LYS 439 HE1 LYS 439 -2.944 -8.808 2.927
58 HZ1 LYS 439 HZ1 LYS 439 -4.246 -10.340 4.288
59 HZ2 LYS 439 HZ2 LYS 439 -3.473 -9.170 5.241
60 HZ3 LYS 439 HZ3 LYS 439 -2.859 -10.750 5.175
61 H THR 440 HN THR 440 0.758 -8.752 -1.993
62 HA THR 440 HA THR 440 -0.472 -10.508 -3.956
63 HB THR 440 HB THR 440 1.715 -10.294 -5.154
64 HG1 THR 440 HG1 THR 440 2.576 -8.170 -3.670
65 HG21 THR 440 HG21 THR 440 -0.132 -8.746 -5.624
66 HG22 THR 440 HG22 THR 440 1.436 -7.954 -5.786
67 HG23 THR 440 HG23 THR 440 0.450 -7.672 -4.352
68 H ALA 441 HN ALA 441 0.406 -12.540 -4.559
69 HA ALA 441 HA ALA 441 0.982 -14.141 -2.273
70 HB1 ALA 441 HB1 ALA 441 0.907 -16.019 -3.805
71 HB2 ALA 441 HB2 ALA 441 0.963 -14.920 -5.184
72 HB3 ALA 441 HB3 ALA 441 -0.437 -14.919 -4.110
73 H ASP 442 HN ASP 442 3.011 -12.224 -3.918
74 HA ASP 442 HA ASP 442 5.337 -13.913 -4.000
75 HB2 ASP 442 HB2 ASP 442 5.157 -11.913 -5.438
76 HB3 ASP 442 HB1 ASP 442 5.095 -10.891 -4.007
77 H GLY 443 HN GLY 443 3.493 -12.586 -1.593
78 HA2 GLY 443 HA2 GLY 443 3.838 -12.952 0.693
79 HA3 GLY 443 HA1 GLY 443 5.551 -13.182 0.376
80 H LYS 444 HN LYS 444 3.661 -10.448 -0.770
81 HA LYS 444 HA LYS 444 4.911 -8.784 1.288
82 HB2 LYS 444 HB2 LYS 444 5.491 -7.053 -0.371
83 HB3 LYS 444 HB1 LYS 444 6.384 -8.546 -0.616
84 HG2 LYS 444 HG2 LYS 444 5.240 -9.061 -2.563
85 HG3 LYS 444 HG1 LYS 444 3.881 -8.008 -2.163
86 HD2 LYS 444 HD2 LYS 444 5.142 -6.975 -3.917
87 HD3 LYS 444 HD1 LYS 444 5.395 -6.051 -2.438
88 HE2 LYS 444 HE2 LYS 444 7.510 -6.240 -3.472
89 HE3 LYS 444 HE1 LYS 444 7.520 -7.374 -2.121
90 HZ1 LYS 444 HZ1 LYS 444 8.438 -8.207 -4.300
91 HZ2 LYS 444 HZ2 LYS 444 6.846 -8.209 -4.882
92 HZ3 LYS 444 HZ3 LYS 444 7.271 -9.193 -3.569
93 H THR 445 HN THR 445 3.590 -7.394 2.182
94 HA THR 445 HA THR 445 1.089 -6.691 0.784
95 HB THR 445 HB THR 445 1.508 -6.733 3.779
96 HG1 THR 445 HG1 THR 445 1.374 -8.822 2.204
97 HG21 THR 445 HG21 THR 445 -0.986 -6.624 2.075
98 HG22 THR 445 HG22 THR 445 -0.308 -5.294 3.012
99 HG23 THR 445 HG23 THR 445 -0.953 -6.714 3.834
100 H TYR 446 HN TYR 446 0.722 -4.493 0.502
101 HA TYR 446 HA TYR 446 2.483 -2.642 1.907
102 HB2 TYR 446 HB2 TYR 446 3.146 -1.592 -0.311
103 HB3 TYR 446 HB1 TYR 446 3.915 -3.117 0.097
104 HD1 TYR 446 HD2 TYR 446 3.418 -5.140 -1.164
105 HD2 TYR 446 HD1 TYR 446 1.589 -1.438 -2.174
106 HE1 TYR 446 HE2 TYR 446 2.772 -6.061 -3.349
107 HE2 TYR 446 HE1 TYR 446 0.958 -2.338 -4.367
108 HH TYR 446 HH TYR 446 1.688 -4.114 -5.908
109 H TYR 447 HN TYR 447 1.855 -0.449 1.748
110 HA TYR 447 HA TYR 447 -1.034 -0.258 1.445
111 HB2 TYR 447 HB2 TYR 447 0.939 1.759 2.549
112 HB3 TYR 447 HB1 TYR 447 -0.808 1.912 2.584
113 HD1 TYR 447 HD1 TYR 447 -0.185 -1.461 3.238
114 HD2 TYR 447 HD2 TYR 447 0.151 2.380 5.041
115 HE1 TYR 447 HE1 TYR 447 -0.212 -2.505 5.465
116 HE2 TYR 447 HE2 TYR 447 0.120 1.337 7.267
117 HH TYR 447 HH TYR 447 -0.707 -0.782 8.303
118 H TYR 448 HN TYR 448 -1.674 0.214 -0.571
119 HA TYR 448 HA TYR 448 -0.152 2.115 -2.158
120 HB2 TYR 448 HB2 TYR 448 -1.311 0.010 -3.097
121 HB3 TYR 448 HB1 TYR 448 -2.812 0.916 -2.924
122 HD1 TYR 448 HD2 TYR 448 0.347 0.644 -4.747
123 HD2 TYR 448 HD1 TYR 448 -3.288 2.823 -4.377
124 HE1 TYR 448 HE2 TYR 448 0.766 1.702 -6.923
125 HE2 TYR 448 HE1 TYR 448 -2.876 3.892 -6.557
126 HH TYR 448 HH TYR 448 -0.920 4.406 -8.013
127 H ASN 449 HN ASN 449 -0.572 4.207 -2.191
128 HA ASN 449 HA ASN 449 -2.824 5.201 -0.636
129 HB2 ASN 449 HB2 ASN 449 -0.493 6.103 -0.334
130 HB3 ASN 449 HB1 ASN 449 -0.579 6.745 -1.967
131 HD21 ASN 449 HD21 ASN 449 -0.270 8.048 0.648
132 HD22 ASN 449 HD22 ASN 449 -1.557 9.192 0.776
133 H ASN 450 HN ASN 450 -4.683 5.362 -1.714
134 HA ASN 450 HA ASN 450 -4.678 5.654 -4.586
135 HB2 ASN 450 HB2 ASN 450 -7.164 5.456 -4.364
136 HB3 ASN 450 HB1 ASN 450 -6.263 4.102 -3.703
137 HD21 ASN 450 HD21 ASN 450 -6.773 7.245 -2.129
138 HD22 ASN 450 HD22 ASN 450 -7.705 6.617 -0.820
139 H ARG 451 HN ARG 451 -4.437 7.843 -2.146
140 HA ARG 451 HA ARG 451 -6.191 9.856 -3.263
141 HB2 ARG 451 HB2 ARG 451 -5.594 9.623 -0.789
142 HB3 ARG 451 HB1 ARG 451 -4.029 10.302 -1.215
143 HG2 ARG 451 HG2 ARG 451 -5.138 12.319 -2.052
144 HG3 ARG 451 HG1 ARG 451 -6.700 11.636 -1.591
145 HD2 ARG 451 HD2 ARG 451 -6.091 13.084 0.170
146 HD3 ARG 451 HD1 ARG 451 -5.766 11.454 0.760
147 HE ARG 451 HE ARG 451 -3.654 13.215 -0.315
148 HH11 ARG 451 HH11 ARG 451 -4.809 10.887 2.059
149 HH12 ARG 451 HH12 ARG 451 -3.373 11.000 3.037
150 HH21 ARG 451 HH21 ARG 451 -1.757 13.320 0.956
151 HH22 ARG 451 HH22 ARG 451 -1.636 12.355 2.395
152 H THR 452 HN THR 452 -2.700 9.320 -2.970
153 HA THR 452 HA THR 452 -2.239 11.380 -5.012
154 HB THR 452 HB THR 452 0.209 11.025 -4.246
155 HG1 THR 452 HG1 THR 452 0.427 10.090 -2.203
156 HG21 THR 452 HG21 THR 452 -0.085 12.557 -2.351
157 HG22 THR 452 HG22 THR 452 -1.811 12.202 -2.325
158 HG23 THR 452 HG23 THR 452 -1.103 13.034 -3.709
159 H ALA 453 HN ALA 453 -2.570 8.105 -4.710
160 HA ALA 453 HA ALA 453 -2.240 6.337 -6.085
161 HB1 ALA 453 HB1 ALA 453 -1.666 6.693 -8.413
162 HB2 ALA 453 HB2 ALA 453 -1.179 8.349 -8.060
163 HB3 ALA 453 HB3 ALA 453 -2.867 7.871 -7.891
164 H GLU 454 HN GLU 454 -0.217 7.264 -4.214
165 HA GLU 454 HA GLU 454 2.284 6.474 -5.528
166 HB2 GLU 454 HB2 GLU 454 3.448 7.468 -3.665
167 HB3 GLU 454 HB1 GLU 454 2.261 8.619 -4.261
168 HG2 GLU 454 HG2 GLU 454 0.765 8.026 -2.430
169 HG3 GLU 454 HG1 GLU 454 1.947 6.858 -1.841
170 H SER 455 HN SER 455 3.614 4.861 -4.634
171 HA SER 455 HA SER 455 2.161 2.831 -3.136
172 HB2 SER 455 HB2 SER 455 4.217 1.447 -3.615
173 HB3 SER 455 HB1 SER 455 3.374 2.024 -5.054
174 HG SER 455 HG SER 455 5.314 3.733 -4.091
175 H THR 456 HN THR 456 2.210 2.944 -0.995
176 HA THR 456 HA THR 456 4.477 4.256 0.315
177 HB THR 456 HB THR 456 1.755 3.591 1.453
178 HG1 THR 456 HG1 THR 456 2.365 5.395 -0.344
179 HG21 THR 456 HG21 THR 456 3.381 3.865 3.204
180 HG22 THR 456 HG22 THR 456 2.391 5.323 3.137
181 HG23 THR 456 HG23 THR 456 4.016 5.327 2.449
182 H TRP 457 HN TRP 457 6.006 2.814 0.796
183 HA TRP 457 HA TRP 457 5.255 0.169 1.765
184 HB2 TRP 457 HB2 TRP 457 7.970 1.292 1.025
185 HB3 TRP 457 HB1 TRP 457 7.645 -0.382 1.478
186 HD1 TRP 457 HD1 TRP 457 6.950 2.122 -1.360
187 HE1 TRP 457 HE1 TRP 457 6.316 0.805 -3.480
188 HE3 TRP 457 HE3 TRP 457 6.809 -2.585 0.628
189 HZ2 TRP 457 HZ2 TRP 457 5.805 -1.874 -4.201
190 HZ3 TRP 457 HZ3 TRP 457 6.247 -4.473 -0.848
191 HH2 TRP 457 HH2 TRP 457 5.762 -4.123 -3.215
192 H GLU 458 HN GLU 458 6.191 3.201 2.899
193 HA GLU 458 HA GLU 458 7.089 2.308 5.489
194 HB2 GLU 458 HB2 GLU 458 6.397 4.983 4.290
195 HB3 GLU 458 HB1 GLU 458 6.614 4.813 6.025
196 HG2 GLU 458 HG2 GLU 458 8.616 5.621 4.781
197 HG3 GLU 458 HG1 GLU 458 8.882 4.191 5.773
198 H LYS 459 HN LYS 459 5.666 1.308 6.779
199 HA LYS 459 HA LYS 459 2.836 1.954 6.406
200 HB2 LYS 459 HB2 LYS 459 2.403 -0.201 7.572
201 HB3 LYS 459 HB1 LYS 459 3.302 -0.366 6.071
202 HG2 LYS 459 HG2 LYS 459 5.280 -0.900 7.166
203 HG3 LYS 459 HG1 LYS 459 4.724 -0.231 8.701
204 HD2 LYS 459 HD2 LYS 459 3.245 -2.527 7.501
205 HD3 LYS 459 HD1 LYS 459 4.789 -2.825 8.302
206 HE2 LYS 459 HE2 LYS 459 2.971 -3.140 9.869
207 HE3 LYS 459 HE1 LYS 459 3.926 -1.737 10.333
208 HZ1 LYS 459 HZ1 LYS 459 2.214 -0.334 9.262
209 HZ2 LYS 459 HZ2 LYS 459 1.620 -1.222 10.570
210 HZ3 LYS 459 HZ3 LYS 459 1.273 -1.715 8.987
211 HA PRO 460 HA PRO 460 2.767 4.001 10.434
212 HB2 PRO 460 HB2 PRO 460 0.022 4.334 10.265
213 HB3 PRO 460 HB1 PRO 460 1.215 5.491 9.661
214 HG2 PRO 460 HG2 PRO 460 -0.319 3.395 8.177
215 HG3 PRO 460 HG1 PRO 460 0.085 5.051 7.687
216 HD2 PRO 460 HD2 PRO 460 1.438 2.953 6.724
217 HD3 PRO 460 HD1 PRO 460 2.256 4.483 7.098
Start of MODEL 3
1 H SER 433 HT1 SER 433 -12.735 3.237 4.923
2 HA SER 433 HA SER 433 -10.392 3.577 4.913
3 HB2 SER 433 HB2 SER 433 -11.169 1.134 3.298
4 HB3 SER 433 HB1 SER 433 -9.696 1.324 4.249
5 HG SER 433 HG SER 433 -11.076 0.267 5.579
6 H GLU 434 HN GLU 434 -8.999 4.809 3.915
7 HA GLU 434 HA GLU 434 -9.036 4.983 1.000
8 HB2 GLU 434 HB2 GLU 434 -7.484 6.964 1.456
9 HB3 GLU 434 HB1 GLU 434 -9.157 7.122 1.967
10 HG2 GLU 434 HG2 GLU 434 -8.442 6.448 4.260
11 HG3 GLU 434 HG1 GLU 434 -6.774 6.533 3.697
12 H TRP 435 HN TRP 435 -7.342 3.480 3.489
13 HA TRP 435 HA TRP 435 -4.887 3.270 1.910
14 HB2 TRP 435 HB2 TRP 435 -5.451 2.249 4.705
15 HB3 TRP 435 HB1 TRP 435 -3.888 2.261 3.897
16 HD1 TRP 435 HD1 TRP 435 -5.034 3.879 6.652
17 HE1 TRP 435 HE1 TRP 435 -4.369 6.355 6.842
18 HE3 TRP 435 HE3 TRP 435 -3.848 4.743 1.770
19 HZ2 TRP 435 HZ2 TRP 435 -3.468 8.420 5.111
20 HZ3 TRP 435 HZ3 TRP 435 -3.093 6.977 1.114
21 HH2 TRP 435 HH2 TRP 435 -2.916 8.786 2.741
22 H THR 436 HN THR 436 -4.870 1.669 0.455
23 HA THR 436 HA THR 436 -6.255 -0.834 1.088
24 HB THR 436 HB THR 436 -4.918 0.084 -1.470
25 HG1 THR 436 HG1 THR 436 -7.237 0.708 -0.564
26 HG21 THR 436 HG21 THR 436 -6.398 -2.499 -0.911
27 HG22 THR 436 HG22 THR 436 -4.664 -2.349 -1.209
28 HG23 THR 436 HG23 THR 436 -5.818 -1.967 -2.488
29 H GLU 437 HN GLU 437 -5.163 -2.383 2.078
30 HA GLU 437 HA GLU 437 -2.263 -2.457 1.854
31 HB2 GLU 437 HB2 GLU 437 -2.355 -4.212 3.563
32 HB3 GLU 437 HB1 GLU 437 -3.230 -2.788 4.082
33 HG2 GLU 437 HG2 GLU 437 -4.563 -5.209 2.901
34 HG3 GLU 437 HG1 GLU 437 -4.282 -4.993 4.625
35 H ARG 438 HN ARG 438 -1.401 -3.477 0.152
36 HA ARG 438 HA ARG 438 -3.160 -5.383 -1.218
37 HB2 ARG 438 HB2 ARG 438 -1.051 -3.484 -2.223
38 HB3 ARG 438 HB1 ARG 438 -1.518 -4.894 -3.180
39 HG2 ARG 438 HG2 ARG 438 -3.782 -4.156 -3.310
40 HG3 ARG 438 HG1 ARG 438 -3.485 -2.864 -2.150
41 HD2 ARG 438 HD2 ARG 438 -3.600 -2.004 -4.427
42 HD3 ARG 438 HD1 ARG 438 -1.999 -1.766 -3.734
43 HE ARG 438 HE ARG 438 -1.431 -3.889 -5.045
44 HH11 ARG 438 HH11 ARG 438 -3.843 -1.582 -6.092
45 HH12 ARG 438 HH12 ARG 438 -3.527 -1.822 -7.785
46 HH21 ARG 438 HH21 ARG 438 -1.012 -4.207 -7.273
47 HH22 ARG 438 HH22 ARG 438 -1.934 -3.319 -8.449
48 H LYS 439 HN LYS 439 -2.729 -7.270 -0.333
49 HA LYS 439 HA LYS 439 0.022 -8.127 -0.029
50 HB2 LYS 439 HB2 LYS 439 -1.045 -10.194 0.972
51 HB3 LYS 439 HB1 LYS 439 -1.279 -8.692 1.851
52 HG2 LYS 439 HG2 LYS 439 -3.527 -8.495 0.967
53 HG3 LYS 439 HG1 LYS 439 -3.298 -9.956 0.008
54 HD2 LYS 439 HD2 LYS 439 -4.541 -10.567 1.946
55 HD3 LYS 439 HD1 LYS 439 -2.909 -11.196 2.154
56 HE2 LYS 439 HE2 LYS 439 -3.811 -8.571 3.322
57 HE3 LYS 439 HE1 LYS 439 -3.978 -10.100 4.179
58 HZ1 LYS 439 HZ1 LYS 439 -1.542 -10.377 3.966
59 HZ2 LYS 439 HZ2 LYS 439 -1.987 -9.027 4.887
60 HZ3 LYS 439 HZ3 LYS 439 -1.445 -8.821 3.299
61 H THR 440 HN THR 440 0.837 -8.531 -1.946
62 HA THR 440 HA THR 440 -0.510 -10.364 -3.754
63 HB THR 440 HB THR 440 0.775 -8.478 -4.690
64 HG1 THR 440 HG1 THR 440 0.624 -10.143 -6.101
65 HG21 THR 440 HG21 THR 440 3.221 -8.500 -4.649
66 HG22 THR 440 HG22 THR 440 3.192 -9.903 -3.582
67 HG23 THR 440 HG23 THR 440 2.558 -8.357 -3.021
68 H ALA 441 HN ALA 441 0.290 -12.395 -4.338
69 HA ALA 441 HA ALA 441 0.912 -14.018 -2.150
70 HB1 ALA 441 HB1 ALA 441 1.012 -15.848 -3.739
71 HB2 ALA 441 HB2 ALA 441 1.120 -14.700 -5.075
72 HB3 ALA 441 HB3 ALA 441 -0.345 -14.780 -4.096
73 H ASP 442 HN ASP 442 3.054 -12.163 -3.950
74 HA ASP 442 HA ASP 442 5.366 -13.811 -3.821
75 HB2 ASP 442 HB2 ASP 442 5.253 -11.841 -5.286
76 HB3 ASP 442 HB1 ASP 442 5.139 -10.790 -3.879
77 H GLY 443 HN GLY 443 3.499 -12.359 -1.460
78 HA2 GLY 443 HA2 GLY 443 3.756 -12.726 0.834
79 HA3 GLY 443 HA1 GLY 443 5.462 -13.060 0.574
80 H LYS 444 HN LYS 444 3.840 -10.219 -0.701
81 HA LYS 444 HA LYS 444 4.970 -8.621 1.465
82 HB2 LYS 444 HB2 LYS 444 5.898 -6.960 -0.159
83 HB3 LYS 444 HB1 LYS 444 6.757 -8.486 -0.085
84 HG2 LYS 444 HG2 LYS 444 6.013 -9.146 -2.190
85 HG3 LYS 444 HG1 LYS 444 4.685 -7.979 -2.189
86 HD2 LYS 444 HD2 LYS 444 6.226 -6.145 -2.400
87 HD3 LYS 444 HD1 LYS 444 7.606 -7.224 -2.212
88 HE2 LYS 444 HE2 LYS 444 5.691 -7.742 -4.427
89 HE3 LYS 444 HE1 LYS 444 6.803 -6.383 -4.584
90 HZ1 LYS 444 HZ1 LYS 444 8.647 -7.920 -4.195
91 HZ2 LYS 444 HZ2 LYS 444 7.746 -8.358 -5.556
92 HZ3 LYS 444 HZ3 LYS 444 7.562 -9.220 -4.106
93 H THR 445 HN THR 445 3.679 -7.135 2.158
94 HA THR 445 HA THR 445 1.320 -6.430 0.556
95 HB THR 445 HB THR 445 1.700 -6.037 3.535
96 HG1 THR 445 HG1 THR 445 1.771 -8.287 2.951
97 HG21 THR 445 HG21 THR 445 -0.760 -6.080 1.783
98 HG22 THR 445 HG22 THR 445 -0.042 -4.660 2.549
99 HG23 THR 445 HG23 THR 445 -0.756 -5.935 3.541
100 H TYR 446 HN TYR 446 0.739 -4.240 0.296
101 HA TYR 446 HA TYR 446 2.602 -2.232 1.283
102 HB2 TYR 446 HB2 TYR 446 2.835 -1.290 -1.066
103 HB3 TYR 446 HB1 TYR 446 3.742 -2.754 -0.728
104 HD1 TYR 446 HD2 TYR 446 3.132 -4.871 -1.791
105 HD2 TYR 446 HD1 TYR 446 0.988 -1.299 -2.652
106 HE1 TYR 446 HE2 TYR 446 2.166 -5.937 -3.787
107 HE2 TYR 446 HE1 TYR 446 0.033 -2.346 -4.653
108 HH TYR 446 HH TYR 446 0.414 -5.745 -5.313
109 H TYR 447 HN TYR 447 1.677 -0.227 1.485
110 HA TYR 447 HA TYR 447 -1.222 -0.262 1.216
111 HB2 TYR 447 HB2 TYR 447 0.404 1.972 2.438
112 HB3 TYR 447 HB1 TYR 447 -1.279 1.555 2.729
113 HD1 TYR 447 HD1 TYR 447 -1.793 -0.621 3.962
114 HD2 TYR 447 HD2 TYR 447 2.103 1.078 3.793
115 HE1 TYR 447 HE1 TYR 447 -1.128 -1.958 5.920
116 HE2 TYR 447 HE2 TYR 447 2.770 -0.248 5.747
117 HH TYR 447 HH TYR 447 0.844 -2.788 7.019
118 H TYR 448 HN TYR 448 -1.954 0.333 -0.696
119 HA TYR 448 HA TYR 448 -0.513 2.299 -2.266
120 HB2 TYR 448 HB2 TYR 448 -1.563 0.168 -3.218
121 HB3 TYR 448 HB1 TYR 448 -3.121 0.953 -2.988
122 HD1 TYR 448 HD1 TYR 448 -3.734 2.915 -4.350
123 HD2 TYR 448 HD2 TYR 448 -0.072 0.840 -4.970
124 HE1 TYR 448 HE1 TYR 448 -3.481 4.026 -6.531
125 HE2 TYR 448 HE2 TYR 448 0.191 1.945 -7.150
126 HH TYR 448 HH TYR 448 -1.670 4.607 -8.108
127 H ASN 449 HN ASN 449 -0.929 4.349 -2.199
128 HA ASN 449 HA ASN 449 -3.250 5.339 -0.736
129 HB2 ASN 449 HB2 ASN 449 -0.819 6.738 -1.883
130 HB3 ASN 449 HB1 ASN 449 -2.111 7.557 -1.023
131 HD21 ASN 449 HD21 ASN 449 -0.950 4.401 -0.054
132 HD22 ASN 449 HD22 ASN 449 -0.162 4.933 1.386
133 H ASN 450 HN ASN 450 -5.040 5.732 -1.839
134 HA ASN 450 HA ASN 450 -5.039 5.961 -4.697
135 HB2 ASN 450 HB2 ASN 450 -7.455 6.142 -4.504
136 HB3 ASN 450 HB1 ASN 450 -6.876 4.852 -3.456
137 HD21 ASN 450 HD21 ASN 450 -9.340 6.424 -3.344
138 HD22 ASN 450 HD22 ASN 450 -9.356 7.161 -1.773
139 H ARG 451 HN ARG 451 -4.799 8.144 -2.092
140 HA ARG 451 HA ARG 451 -5.926 10.395 -3.501
141 HB2 ARG 451 HB2 ARG 451 -6.195 10.120 -1.062
142 HB3 ARG 451 HB1 ARG 451 -4.460 10.302 -0.865
143 HG2 ARG 451 HG2 ARG 451 -4.544 12.574 -1.598
144 HG3 ARG 451 HG1 ARG 451 -6.239 12.412 -2.062
145 HD2 ARG 451 HD2 ARG 451 -5.163 12.159 0.745
146 HD3 ARG 451 HD1 ARG 451 -5.964 13.583 0.083
147 HE ARG 451 HE ARG 451 -7.967 12.149 -0.188
148 HH11 ARG 451 HH11 ARG 451 -5.490 11.224 2.111
149 HH12 ARG 451 HH12 ARG 451 -6.574 10.280 3.101
150 HH21 ARG 451 HH21 ARG 451 -9.404 10.941 1.128
151 HH22 ARG 451 HH22 ARG 451 -8.801 10.134 2.553
152 H THR 452 HN THR 452 -2.774 9.031 -2.982
153 HA THR 452 HA THR 452 -1.615 11.358 -4.367
154 HB THR 452 HB THR 452 0.580 10.620 -3.282
155 HG1 THR 452 HG1 THR 452 0.477 9.241 -1.603
156 HG21 THR 452 HG21 THR 452 -0.613 12.644 -2.616
157 HG22 THR 452 HG22 THR 452 0.085 11.843 -1.208
158 HG23 THR 452 HG23 THR 452 -1.641 11.698 -1.539
159 H ALA 453 HN ALA 453 -2.434 8.191 -4.769
160 HA ALA 453 HA ALA 453 -1.990 6.618 -6.344
161 HB1 ALA 453 HB1 ALA 453 -0.576 8.878 -7.761
162 HB2 ALA 453 HB2 ALA 453 -2.293 8.497 -7.886
163 HB3 ALA 453 HB3 ALA 453 -1.091 7.355 -8.487
164 H GLU 454 HN GLU 454 -0.236 6.727 -4.137
165 HA GLU 454 HA GLU 454 2.333 5.941 -5.364
166 HB2 GLU 454 HB2 GLU 454 3.482 6.694 -3.394
167 HB3 GLU 454 HB1 GLU 454 2.448 8.002 -3.946
168 HG2 GLU 454 HG2 GLU 454 0.824 7.498 -2.242
169 HG3 GLU 454 HG1 GLU 454 1.758 6.095 -1.726
170 H SER 455 HN SER 455 3.363 4.078 -4.559
171 HA SER 455 HA SER 455 1.689 2.400 -2.821
172 HB2 SER 455 HB2 SER 455 4.207 1.569 -4.276
173 HB3 SER 455 HB1 SER 455 2.996 0.524 -3.537
174 HG SER 455 HG SER 455 1.973 2.257 -5.400
175 H THR 456 HN THR 456 2.052 2.823 -0.754
176 HA THR 456 HA THR 456 4.648 3.787 0.125
177 HB THR 456 HB THR 456 2.145 3.403 1.780
178 HG1 THR 456 HG1 THR 456 2.982 5.755 0.380
179 HG21 THR 456 HG21 THR 456 4.126 3.770 3.109
180 HG22 THR 456 HG22 THR 456 3.144 5.230 3.126
181 HG23 THR 456 HG23 THR 456 4.584 5.149 2.111
182 H TRP 457 HN TRP 457 6.133 2.386 0.732
183 HA TRP 457 HA TRP 457 5.342 -0.212 1.828
184 HB2 TRP 457 HB2 TRP 457 8.042 0.766 0.861
185 HB3 TRP 457 HB1 TRP 457 7.676 -0.876 1.389
186 HD1 TRP 457 HD1 TRP 457 6.903 1.569 -1.474
187 HE1 TRP 457 HE1 TRP 457 6.077 0.222 -3.502
188 HE3 TRP 457 HE3 TRP 457 6.690 -3.059 0.669
189 HZ2 TRP 457 HZ2 TRP 457 5.409 -2.444 -4.109
190 HZ3 TRP 457 HZ3 TRP 457 5.958 -4.960 -0.706
191 HH2 TRP 457 HH2 TRP 457 5.337 -4.660 -3.049
192 H GLU 458 HN GLU 458 6.105 2.781 2.846
193 HA GLU 458 HA GLU 458 7.553 2.118 5.240
194 HB2 GLU 458 HB2 GLU 458 5.985 4.647 4.748
195 HB3 GLU 458 HB1 GLU 458 7.411 4.427 5.753
196 HG2 GLU 458 HG2 GLU 458 7.341 4.311 2.746
197 HG3 GLU 458 HG1 GLU 458 7.915 5.665 3.717
198 H LYS 459 HN LYS 459 6.596 1.239 6.987
199 HA LYS 459 HA LYS 459 3.740 0.938 7.024
200 HB2 LYS 459 HB2 LYS 459 5.422 -0.816 7.761
201 HB3 LYS 459 HB1 LYS 459 5.670 0.152 9.206
202 HG2 LYS 459 HG2 LYS 459 2.926 -0.764 8.437
203 HG3 LYS 459 HG1 LYS 459 4.034 -1.837 9.288
204 HD2 LYS 459 HD2 LYS 459 4.141 -0.376 11.161
205 HD3 LYS 459 HD1 LYS 459 3.323 0.917 10.280
206 HE2 LYS 459 HE2 LYS 459 2.089 -1.739 11.005
207 HE3 LYS 459 HE1 LYS 459 1.850 -0.237 11.898
208 HZ1 LYS 459 HZ1 LYS 459 1.123 -0.657 9.049
209 HZ2 LYS 459 HZ2 LYS 459 0.841 0.749 9.961
210 HZ3 LYS 459 HZ3 LYS 459 0.033 -0.694 10.344
211 HA PRO 460 HA PRO 460 3.173 4.495 9.703
212 HB2 PRO 460 HB2 PRO 460 0.549 4.811 9.182
213 HB3 PRO 460 HB1 PRO 460 1.794 5.338 8.049
214 HG2 PRO 460 HG2 PRO 460 0.003 2.981 7.924
215 HG3 PRO 460 HG1 PRO 460 0.710 3.933 6.609
216 HD2 PRO 460 HD2 PRO 460 1.624 1.444 7.570
217 HD3 PRO 460 HD1 PRO 460 2.470 2.522 6.446
Start of MODEL 4
1 H SER 433 HT1 SER 433 -11.979 2.260 4.760
2 HA SER 433 HA SER 433 -9.958 3.512 4.952
3 HB2 SER 433 HB2 SER 433 -9.369 0.736 3.892
4 HB3 SER 433 HB1 SER 433 -8.431 1.645 5.078
5 HG SER 433 HG SER 433 -10.681 0.111 5.415
6 H GLU 434 HN GLU 434 -8.605 4.826 3.901
7 HA GLU 434 HA GLU 434 -8.505 4.713 1.013
8 HB2 GLU 434 HB2 GLU 434 -7.201 6.828 1.222
9 HB3 GLU 434 HB1 GLU 434 -8.785 6.887 1.981
10 HG2 GLU 434 HG2 GLU 434 -7.657 6.424 4.166
11 HG3 GLU 434 HG1 GLU 434 -6.113 6.618 3.337
12 H TRP 435 HN TRP 435 -6.678 3.466 3.551
13 HA TRP 435 HA TRP 435 -4.303 3.193 1.851
14 HB2 TRP 435 HB2 TRP 435 -4.590 2.289 4.725
15 HB3 TRP 435 HB1 TRP 435 -3.101 2.518 3.815
16 HD1 TRP 435 HD1 TRP 435 -5.352 4.258 6.181
17 HE1 TRP 435 HE1 TRP 435 -4.720 6.742 6.410
18 HE3 TRP 435 HE3 TRP 435 -2.107 4.610 2.258
19 HZ2 TRP 435 HZ2 TRP 435 -3.055 8.599 5.090
20 HZ3 TRP 435 HZ3 TRP 435 -1.041 6.775 1.808
21 HH2 TRP 435 HH2 TRP 435 -1.507 8.729 3.186
22 H THR 436 HN THR 436 -4.539 1.518 0.470
23 HA THR 436 HA THR 436 -5.971 -0.867 1.330
24 HB THR 436 HB THR 436 -4.739 -0.137 -1.331
25 HG1 THR 436 HG1 THR 436 -6.813 0.827 -0.504
26 HG21 THR 436 HG21 THR 436 -5.821 -2.172 -2.216
27 HG22 THR 436 HG22 THR 436 -6.300 -2.625 -0.579
28 HG23 THR 436 HG23 THR 436 -4.588 -2.567 -1.014
29 H GLU 437 HN GLU 437 -4.993 -2.521 2.216
30 HA GLU 437 HA GLU 437 -2.107 -2.792 2.044
31 HB2 GLU 437 HB2 GLU 437 -2.539 -4.706 3.658
32 HB3 GLU 437 HB1 GLU 437 -2.983 -3.110 4.238
33 HG2 GLU 437 HG2 GLU 437 -5.287 -3.536 3.891
34 HG3 GLU 437 HG1 GLU 437 -4.944 -5.011 2.990
35 H ARG 438 HN ARG 438 -1.463 -3.680 0.094
36 HA ARG 438 HA ARG 438 -3.277 -5.661 -1.070
37 HB2 ARG 438 HB2 ARG 438 -0.983 -4.121 -2.302
38 HB3 ARG 438 HB1 ARG 438 -1.892 -5.374 -3.142
39 HG2 ARG 438 HG2 ARG 438 -3.959 -3.944 -2.532
40 HG3 ARG 438 HG1 ARG 438 -2.780 -2.660 -2.264
41 HD2 ARG 438 HD2 ARG 438 -3.596 -2.493 -4.513
42 HD3 ARG 438 HD1 ARG 438 -1.923 -3.048 -4.563
43 HE ARG 438 HE ARG 438 -3.360 -5.356 -4.595
44 HH11 ARG 438 HH11 ARG 438 -3.407 -2.459 -6.568
45 HH12 ARG 438 HH12 ARG 438 -3.969 -3.279 -7.992
46 HH21 ARG 438 HH21 ARG 438 -4.113 -6.432 -6.434
47 HH22 ARG 438 HH22 ARG 438 -4.388 -5.555 -7.909
48 H LYS 439 HN LYS 439 -2.900 -7.591 -0.305
49 HA LYS 439 HA LYS 439 -0.174 -8.362 0.309
50 HB2 LYS 439 HB2 LYS 439 -1.161 -10.345 1.394
51 HB3 LYS 439 HB1 LYS 439 -1.794 -8.842 2.042
52 HG2 LYS 439 HG2 LYS 439 -3.264 -10.409 -0.055
53 HG3 LYS 439 HG1 LYS 439 -3.423 -10.766 1.662
54 HD2 LYS 439 HD2 LYS 439 -3.895 -8.008 0.568
55 HD3 LYS 439 HD1 LYS 439 -5.164 -9.230 0.577
56 HE2 LYS 439 HE2 LYS 439 -5.473 -7.943 2.531
57 HE3 LYS 439 HE1 LYS 439 -4.762 -9.465 3.056
58 HZ1 LYS 439 HZ1 LYS 439 -3.152 -7.030 2.574
59 HZ2 LYS 439 HZ2 LYS 439 -2.686 -8.437 3.398
60 HZ3 LYS 439 HZ3 LYS 439 -3.831 -7.389 4.083
61 H THR 440 HN THR 440 0.836 -8.805 -1.523
62 HA THR 440 HA THR 440 -0.362 -10.606 -3.460
63 HB THR 440 HB THR 440 1.774 -10.341 -4.713
64 HG1 THR 440 HG1 THR 440 2.410 -8.607 -2.532
65 HG21 THR 440 HG21 THR 440 0.482 -7.747 -3.870
66 HG22 THR 440 HG22 THR 440 -0.128 -8.837 -5.113
67 HG23 THR 440 HG23 THR 440 1.414 -8.016 -5.342
68 H ALA 441 HN ALA 441 0.585 -12.585 -4.122
69 HA ALA 441 HA ALA 441 1.028 -14.233 -1.864
70 HB1 ALA 441 HB1 ALA 441 0.974 -16.073 -3.423
71 HB2 ALA 441 HB2 ALA 441 1.163 -14.962 -4.779
72 HB3 ALA 441 HB3 ALA 441 -0.302 -14.915 -3.797
73 H ASP 442 HN ASP 442 3.290 -12.385 -3.386
74 HA ASP 442 HA ASP 442 5.467 -14.277 -3.197
75 HB2 ASP 442 HB2 ASP 442 5.653 -12.399 -4.770
76 HB3 ASP 442 HB1 ASP 442 5.514 -11.256 -3.439
77 H GLY 443 HN GLY 443 3.560 -12.618 -1.057
78 HA2 GLY 443 HA2 GLY 443 3.702 -12.726 1.281
79 HA3 GLY 443 HA1 GLY 443 5.408 -13.129 1.138
80 H LYS 444 HN LYS 444 3.887 -10.444 -0.511
81 HA LYS 444 HA LYS 444 5.112 -8.592 1.390
82 HB2 LYS 444 HB2 LYS 444 5.970 -7.202 -0.500
83 HB3 LYS 444 HB1 LYS 444 6.789 -8.740 -0.295
84 HG2 LYS 444 HG2 LYS 444 5.448 -9.663 -2.150
85 HG3 LYS 444 HG1 LYS 444 4.730 -8.066 -2.384
86 HD2 LYS 444 HD2 LYS 444 6.905 -7.119 -2.869
87 HD3 LYS 444 HD1 LYS 444 7.683 -8.663 -2.519
88 HE2 LYS 444 HE2 LYS 444 6.349 -9.660 -4.382
89 HE3 LYS 444 HE1 LYS 444 5.808 -8.031 -4.789
90 HZ1 LYS 444 HZ1 LYS 444 7.699 -8.724 -6.136
91 HZ2 LYS 444 HZ2 LYS 444 8.638 -8.946 -4.746
92 HZ3 LYS 444 HZ3 LYS 444 8.104 -7.393 -5.171
93 H THR 445 HN THR 445 3.654 -7.292 2.090
94 HA THR 445 HA THR 445 1.318 -6.635 0.448
95 HB THR 445 HB THR 445 1.812 -6.166 3.397
96 HG1 THR 445 HG1 THR 445 1.354 -8.430 2.113
97 HG21 THR 445 HG21 THR 445 -0.740 -6.082 1.784
98 HG22 THR 445 HG22 THR 445 0.115 -4.680 2.432
99 HG23 THR 445 HG23 THR 445 -0.603 -5.862 3.529
100 H TYR 446 HN TYR 446 0.696 -4.425 0.098
101 HA TYR 446 HA TYR 446 2.577 -2.382 0.953
102 HB2 TYR 446 HB2 TYR 446 2.811 -1.523 -1.410
103 HB3 TYR 446 HB1 TYR 446 3.691 -3.001 -1.051
104 HD1 TYR 446 HD1 TYR 446 0.687 -1.654 -2.760
105 HD2 TYR 446 HD2 TYR 446 3.287 -4.983 -2.276
106 HE1 TYR 446 HE1 TYR 446 -0.307 -2.705 -4.745
107 HE2 TYR 446 HE2 TYR 446 2.293 -6.049 -4.248
108 HH TYR 446 HH TYR 446 0.180 -5.966 -5.525
109 H TYR 447 HN TYR 447 1.737 -0.297 0.864
110 HA TYR 447 HA TYR 447 -1.169 -0.362 0.877
111 HB2 TYR 447 HB2 TYR 447 0.739 1.729 1.934
112 HB3 TYR 447 HB1 TYR 447 -1.015 1.750 2.126
113 HD1 TYR 447 HD1 TYR 447 -1.857 -0.767 2.931
114 HD2 TYR 447 HD2 TYR 447 1.838 1.112 3.886
115 HE1 TYR 447 HE1 TYR 447 -1.661 -2.183 4.926
116 HE2 TYR 447 HE2 TYR 447 2.039 -0.306 5.890
117 HH TYR 447 HH TYR 447 0.257 -3.063 6.363
118 H TYR 448 HN TYR 448 -2.078 0.031 -0.945
119 HA TYR 448 HA TYR 448 -0.986 1.923 -2.864
120 HB2 TYR 448 HB2 TYR 448 -2.087 -0.397 -3.343
121 HB3 TYR 448 HB1 TYR 448 -3.605 0.456 -3.118
122 HD1 TYR 448 HD1 TYR 448 -2.199 3.067 -4.467
123 HD2 TYR 448 HD2 TYR 448 -2.869 -0.980 -5.595
124 HE1 TYR 448 HE1 TYR 448 -2.171 3.726 -6.838
125 HE2 TYR 448 HE2 TYR 448 -2.838 -0.333 -7.963
126 HH TYR 448 HH TYR 448 -1.645 2.529 -9.075
127 H ASN 449 HN ASN 449 -1.477 4.013 -2.643
128 HA ASN 449 HA ASN 449 -4.053 4.738 -1.406
129 HB2 ASN 449 HB2 ASN 449 -2.150 5.251 0.061
130 HB3 ASN 449 HB1 ASN 449 -1.398 6.189 -1.226
131 HD21 ASN 449 HD21 ASN 449 -1.381 8.044 0.032
132 HD22 ASN 449 HD22 ASN 449 -2.814 8.937 0.375
133 H ASN 450 HN ASN 450 -5.170 6.479 -2.274
134 HA ASN 450 HA ASN 450 -4.331 7.176 -5.006
135 HB2 ASN 450 HB2 ASN 450 -6.469 5.840 -4.666
136 HB3 ASN 450 HB1 ASN 450 -7.142 7.280 -3.910
137 HD21 ASN 450 HD21 ASN 450 -4.925 7.342 -6.616
138 HD22 ASN 450 HD22 ASN 450 -6.060 7.935 -7.782
139 H ARG 451 HN ARG 451 -4.104 8.510 -2.086
140 HA ARG 451 HA ARG 451 -5.429 10.985 -2.313
141 HB2 ARG 451 HB2 ARG 451 -2.988 10.198 -0.745
142 HB3 ARG 451 HB1 ARG 451 -3.681 11.813 -0.670
143 HG2 ARG 451 HG2 ARG 451 -5.040 9.234 0.083
144 HG3 ARG 451 HG1 ARG 451 -4.471 10.492 1.183
145 HD2 ARG 451 HD2 ARG 451 -6.065 12.067 0.217
146 HD3 ARG 451 HD1 ARG 451 -6.614 10.834 -0.915
147 HE ARG 451 HE ARG 451 -6.842 10.025 1.833
148 HH11 ARG 451 HH11 ARG 451 -8.412 11.728 -0.800
149 HH12 ARG 451 HH12 ARG 451 -10.005 11.601 -0.107
150 HH21 ARG 451 HH21 ARG 451 -8.937 9.822 2.731
151 HH22 ARG 451 HH22 ARG 451 -10.299 10.505 1.890
152 H THR 452 HN THR 452 -2.020 10.165 -3.038
153 HA THR 452 HA THR 452 -2.178 12.247 -5.124
154 HB THR 452 HB THR 452 0.248 12.495 -5.051
155 HG1 THR 452 HG1 THR 452 0.210 10.772 -2.772
156 HG21 THR 452 HG21 THR 452 -1.077 13.958 -3.625
157 HG22 THR 452 HG22 THR 452 0.469 13.582 -2.866
158 HG23 THR 452 HG23 THR 452 -1.001 12.777 -2.316
159 H ALA 453 HN ALA 453 -2.445 9.087 -4.665
160 HA ALA 453 HA ALA 453 -2.402 7.252 -5.996
161 HB1 ALA 453 HB1 ALA 453 -2.841 8.675 -7.940
162 HB2 ALA 453 HB2 ALA 453 -1.729 7.364 -8.336
163 HB3 ALA 453 HB3 ALA 453 -1.112 8.999 -8.094
164 H GLU 454 HN GLU 454 -0.621 7.596 -4.049
165 HA GLU 454 HA GLU 454 2.049 7.004 -5.112
166 HB2 GLU 454 HB2 GLU 454 2.850 7.505 -2.845
167 HB3 GLU 454 HB1 GLU 454 1.924 8.844 -3.506
168 HG2 GLU 454 HG2 GLU 454 0.559 6.835 -1.774
169 HG3 GLU 454 HG1 GLU 454 1.581 8.069 -1.040
170 H SER 455 HN SER 455 3.167 5.173 -4.564
171 HA SER 455 HA SER 455 1.636 3.049 -3.250
172 HB2 SER 455 HB2 SER 455 3.602 1.613 -4.066
173 HB3 SER 455 HB1 SER 455 2.535 2.274 -5.305
174 HG SER 455 HG SER 455 4.629 3.926 -4.647
175 H THR 456 HN THR 456 1.892 2.857 -1.135
176 HA THR 456 HA THR 456 4.335 3.928 0.094
177 HB THR 456 HB THR 456 1.688 3.269 1.404
178 HG1 THR 456 HG1 THR 456 1.613 5.018 -0.163
179 HG21 THR 456 HG21 THR 456 2.536 4.691 3.232
180 HG22 THR 456 HG22 THR 456 4.073 4.847 2.380
181 HG23 THR 456 HG23 THR 456 3.550 3.273 2.976
182 H TRP 457 HN TRP 457 5.799 2.588 0.892
183 HA TRP 457 HA TRP 457 5.007 -0.194 1.474
184 HB2 TRP 457 HB2 TRP 457 7.685 0.921 0.604
185 HB3 TRP 457 HB1 TRP 457 7.405 -0.756 1.063
186 HD1 TRP 457 HD1 TRP 457 6.318 1.775 -1.651
187 HE1 TRP 457 HE1 TRP 457 5.655 0.455 -3.755
188 HE3 TRP 457 HE3 TRP 457 6.789 -2.975 0.193
189 HZ2 TRP 457 HZ2 TRP 457 5.367 -2.242 -4.532
190 HZ3 TRP 457 HZ3 TRP 457 6.313 -4.872 -1.303
191 HH2 TRP 457 HH2 TRP 457 5.620 -4.513 -3.617
192 H GLU 458 HN GLU 458 5.719 2.654 2.894
193 HA GLU 458 HA GLU 458 7.162 1.641 5.189
194 HB2 GLU 458 HB2 GLU 458 7.475 3.955 4.284
195 HB3 GLU 458 HB1 GLU 458 5.828 4.325 4.770
196 HG2 GLU 458 HG2 GLU 458 6.404 3.971 7.096
197 HG3 GLU 458 HG1 GLU 458 8.039 3.494 6.636
198 H LYS 459 HN LYS 459 6.261 1.122 7.139
199 HA LYS 459 HA LYS 459 3.394 0.653 7.101
200 HB2 LYS 459 HB2 LYS 459 4.772 -1.191 7.809
201 HB3 LYS 459 HB1 LYS 459 5.557 -0.200 9.028
202 HG2 LYS 459 HG2 LYS 459 3.919 -1.750 9.989
203 HG3 LYS 459 HG1 LYS 459 3.499 -0.063 10.294
204 HD2 LYS 459 HD2 LYS 459 1.915 -0.138 8.413
205 HD3 LYS 459 HD1 LYS 459 2.320 -1.836 8.154
206 HE2 LYS 459 HE2 LYS 459 1.469 -2.399 10.361
207 HE3 LYS 459 HE1 LYS 459 1.131 -0.696 10.681
208 HZ1 LYS 459 HZ1 LYS 459 -0.507 -0.684 8.952
209 HZ2 LYS 459 HZ2 LYS 459 -0.846 -1.982 9.987
210 HZ3 LYS 459 HZ3 LYS 459 -0.112 -2.265 8.486
211 HA PRO 460 HA PRO 460 2.782 4.156 9.855
212 HB2 PRO 460 HB2 PRO 460 0.133 4.423 9.287
213 HB3 PRO 460 HB1 PRO 460 1.404 5.111 8.278
214 HG2 PRO 460 HG2 PRO 460 -0.342 2.806 7.773
215 HG3 PRO 460 HG1 PRO 460 0.551 3.814 6.627
216 HD2 PRO 460 HD2 PRO 460 1.249 1.222 7.586
217 HD3 PRO 460 HD1 PRO 460 2.186 2.268 6.505
Start of MODEL 5
1 H SER 433 HT1 SER 433 -11.542 4.121 6.310
2 HA SER 433 HA SER 433 -9.200 3.705 6.310
3 HB2 SER 433 HB2 SER 433 -9.307 1.372 7.124
4 HB3 SER 433 HB1 SER 433 -9.989 0.869 5.577
5 HG SER 433 HG SER 433 -7.779 0.493 5.549
6 H GLU 434 HN GLU 434 -8.578 4.774 4.565
7 HA GLU 434 HA GLU 434 -9.803 4.090 1.975
8 HB2 GLU 434 HB2 GLU 434 -8.906 6.304 1.239
9 HB3 GLU 434 HB1 GLU 434 -10.107 6.400 2.518
10 HG2 GLU 434 HG2 GLU 434 -8.381 6.776 4.164
11 HG3 GLU 434 HG1 GLU 434 -7.129 6.564 2.941
12 H TRP 435 HN TRP 435 -7.393 3.024 3.624
13 HA TRP 435 HA TRP 435 -5.271 3.328 1.637
14 HB2 TRP 435 HB2 TRP 435 -5.234 2.162 4.434
15 HB3 TRP 435 HB1 TRP 435 -3.832 2.277 3.372
16 HD1 TRP 435 HD1 TRP 435 -5.839 4.286 5.839
17 HE1 TRP 435 HE1 TRP 435 -4.858 6.665 6.011
18 HE3 TRP 435 HE3 TRP 435 -2.616 4.134 1.884
19 HZ2 TRP 435 HZ2 TRP 435 -2.977 8.252 4.665
20 HZ3 TRP 435 HZ3 TRP 435 -1.264 6.124 1.395
21 HH2 TRP 435 HH2 TRP 435 -1.445 8.142 2.749
22 H THR 436 HN THR 436 -4.733 1.737 0.286
23 HA THR 436 HA THR 436 -6.260 -0.734 0.384
24 HB THR 436 HB THR 436 -4.367 0.384 -1.685
25 HG1 THR 436 HG1 THR 436 -7.099 0.491 -1.259
26 HG21 THR 436 HG21 THR 436 -4.213 -2.058 -1.718
27 HG22 THR 436 HG22 THR 436 -5.091 -1.480 -3.136
28 HG23 THR 436 HG23 THR 436 -5.974 -2.179 -1.781
29 H GLU 437 HN GLU 437 -5.489 -2.490 1.333
30 HA GLU 437 HA GLU 437 -2.589 -2.901 1.441
31 HB2 GLU 437 HB2 GLU 437 -3.208 -4.841 2.947
32 HB3 GLU 437 HB1 GLU 437 -3.567 -3.243 3.586
33 HG2 GLU 437 HG2 GLU 437 -5.889 -3.493 3.123
34 HG3 GLU 437 HG1 GLU 437 -5.607 -4.971 2.205
35 H ARG 438 HN ARG 438 -1.815 -3.894 -0.363
36 HA ARG 438 HA ARG 438 -3.600 -5.893 -1.581
37 HB2 ARG 438 HB2 ARG 438 -1.572 -4.043 -2.782
38 HB3 ARG 438 HB1 ARG 438 -1.910 -5.590 -3.570
39 HG2 ARG 438 HG2 ARG 438 -4.409 -4.802 -3.261
40 HG3 ARG 438 HG1 ARG 438 -3.649 -3.210 -3.221
41 HD2 ARG 438 HD2 ARG 438 -2.504 -3.783 -5.357
42 HD3 ARG 438 HD1 ARG 438 -3.448 -5.269 -5.408
43 HE ARG 438 HE ARG 438 -5.182 -3.070 -5.121
44 HH11 ARG 438 HH11 ARG 438 -3.092 -4.602 -7.460
45 HH12 ARG 438 HH12 ARG 438 -3.967 -4.000 -8.839
46 HH21 ARG 438 HH21 ARG 438 -6.324 -2.237 -6.920
47 HH22 ARG 438 HH22 ARG 438 -5.789 -2.636 -8.528
48 H LYS 439 HN LYS 439 -3.161 -7.821 -0.930
49 HA LYS 439 HA LYS 439 -0.470 -8.435 -0.035
50 HB2 LYS 439 HB2 LYS 439 -1.583 -10.562 0.809
51 HB3 LYS 439 HB1 LYS 439 -2.038 -9.053 1.582
52 HG2 LYS 439 HG2 LYS 439 -3.993 -9.095 -0.151
53 HG3 LYS 439 HG1 LYS 439 -3.622 -10.820 -0.209
54 HD2 LYS 439 HD2 LYS 439 -5.321 -10.485 1.448
55 HD3 LYS 439 HD1 LYS 439 -3.812 -10.874 2.281
56 HE2 LYS 439 HE2 LYS 439 -3.441 -8.411 2.562
57 HE3 LYS 439 HE1 LYS 439 -5.068 -8.154 1.941
58 HZ1 LYS 439 HZ1 LYS 439 -5.859 -9.614 3.798
59 HZ2 LYS 439 HZ2 LYS 439 -5.201 -8.125 4.282
60 HZ3 LYS 439 HZ3 LYS 439 -4.285 -9.547 4.441
61 H THR 440 HN THR 440 0.726 -8.752 -1.752
62 HA THR 440 HA THR 440 -0.073 -10.644 -3.811
63 HB THR 440 HB THR 440 2.169 -10.121 -4.806
64 HG1 THR 440 HG1 THR 440 2.458 -8.861 -2.351
65 HG21 THR 440 HG21 THR 440 0.178 -8.863 -5.459
66 HG22 THR 440 HG22 THR 440 1.607 -7.830 -5.454
67 HG23 THR 440 HG23 THR 440 0.448 -7.735 -4.128
68 H ALA 441 HN ALA 441 1.044 -12.559 -4.298
69 HA ALA 441 HA ALA 441 1.581 -14.117 -1.993
70 HB1 ALA 441 HB1 ALA 441 1.831 -15.967 -3.535
71 HB2 ALA 441 HB2 ALA 441 1.941 -14.845 -4.891
72 HB3 ALA 441 HB3 ALA 441 0.438 -14.978 -3.976
73 H ASP 442 HN ASP 442 3.610 -11.954 -3.056
74 HA ASP 442 HA ASP 442 6.049 -13.515 -3.106
75 HB2 ASP 442 HB2 ASP 442 5.911 -11.471 -4.444
76 HB3 ASP 442 HB1 ASP 442 5.570 -10.521 -3.004
77 H GLY 443 HN GLY 443 3.901 -12.590 -0.787
78 HA2 GLY 443 HA2 GLY 443 4.110 -12.866 1.533
79 HA3 GLY 443 HA1 GLY 443 5.861 -12.848 1.355
80 H LYS 444 HN LYS 444 3.941 -10.441 -0.200
81 HA LYS 444 HA LYS 444 4.623 -8.465 1.846
82 HB2 LYS 444 HB2 LYS 444 5.533 -6.932 0.129
83 HB3 LYS 444 HB1 LYS 444 6.500 -8.388 0.299
84 HG2 LYS 444 HG2 LYS 444 5.607 -9.298 -1.729
85 HG3 LYS 444 HG1 LYS 444 4.433 -7.987 -1.851
86 HD2 LYS 444 HD2 LYS 444 6.222 -6.381 -2.180
87 HD3 LYS 444 HD1 LYS 444 7.430 -7.652 -1.972
88 HE2 LYS 444 HE2 LYS 444 7.097 -7.156 -4.335
89 HE3 LYS 444 HE1 LYS 444 6.567 -8.792 -3.956
90 HZ1 LYS 444 HZ1 LYS 444 4.839 -6.420 -4.370
91 HZ2 LYS 444 HZ2 LYS 444 4.271 -7.922 -3.836
92 HZ3 LYS 444 HZ3 LYS 444 4.964 -7.775 -5.376
93 H THR 445 HN THR 445 2.996 -7.141 2.219
94 HA THR 445 HA THR 445 0.963 -6.755 0.134
95 HB THR 445 HB THR 445 0.235 -7.432 2.490
96 HG1 THR 445 HG1 THR 445 -1.249 -6.478 1.072
97 HG21 THR 445 HG21 THR 445 0.100 -5.630 4.154
98 HG22 THR 445 HG22 THR 445 1.033 -4.581 3.087
99 HG23 THR 445 HG23 THR 445 1.769 -6.030 3.764
100 H TYR 446 HN TYR 446 0.355 -4.562 -0.441
101 HA TYR 446 HA TYR 446 2.318 -2.598 0.462
102 HB2 TYR 446 HB2 TYR 446 2.452 -1.616 -1.808
103 HB3 TYR 446 HB1 TYR 446 3.172 -3.205 -1.670
104 HD1 TYR 446 HD1 TYR 446 0.057 -1.504 -2.840
105 HD2 TYR 446 HD2 TYR 446 2.665 -4.837 -3.234
106 HE1 TYR 446 HE1 TYR 446 -1.108 -2.154 -4.891
107 HE2 TYR 446 HE2 TYR 446 1.482 -5.517 -5.279
108 HH TYR 446 HH TYR 446 -0.615 -3.482 -6.950
109 H TYR 447 HN TYR 447 1.594 -0.660 0.913
110 HA TYR 447 HA TYR 447 -1.295 -0.372 0.931
111 HB2 TYR 447 HB2 TYR 447 0.823 1.363 2.225
112 HB3 TYR 447 HB1 TYR 447 -0.915 1.464 2.495
113 HD1 TYR 447 HD1 TYR 447 -1.828 -1.176 2.975
114 HD2 TYR 447 HD2 TYR 447 1.901 0.544 4.087
115 HE1 TYR 447 HE1 TYR 447 -1.630 -2.804 4.814
116 HE2 TYR 447 HE2 TYR 447 2.098 -1.071 5.933
117 HH TYR 447 HH TYR 447 0.005 -3.793 6.238
118 H TYR 448 HN TYR 448 -2.177 0.536 -0.745
119 HA TYR 448 HA TYR 448 -0.648 2.324 -2.442
120 HB2 TYR 448 HB2 TYR 448 -2.187 0.408 -3.235
121 HB3 TYR 448 HB1 TYR 448 -3.517 1.492 -2.853
122 HD1 TYR 448 HD1 TYR 448 -3.867 3.548 -4.181
123 HD2 TYR 448 HD2 TYR 448 -0.797 0.765 -5.147
124 HE1 TYR 448 HE1 TYR 448 -3.658 4.561 -6.412
125 HE2 TYR 448 HE2 TYR 448 -0.577 1.770 -7.377
126 HH TYR 448 HH TYR 448 -1.906 4.738 -8.210
127 H ASN 449 HN ASN 449 -0.744 4.444 -2.289
128 HA ASN 449 HA ASN 449 -2.635 5.654 -0.433
129 HB2 ASN 449 HB2 ASN 449 -0.159 6.160 -0.378
130 HB3 ASN 449 HB1 ASN 449 -0.355 6.971 -1.927
131 HD21 ASN 449 HD21 ASN 449 0.501 8.011 0.658
132 HD22 ASN 449 HD22 ASN 449 -0.596 9.290 1.052
133 H ASN 450 HN ASN 450 -4.467 6.441 -1.146
134 HA ASN 450 HA ASN 450 -4.982 6.697 -3.957
135 HB2 ASN 450 HB2 ASN 450 -7.268 7.056 -3.349
136 HB3 ASN 450 HB1 ASN 450 -6.640 5.833 -2.250
137 HD21 ASN 450 HD21 ASN 450 -6.370 6.339 -0.070
138 HD22 ASN 450 HD22 ASN 450 -7.043 7.770 0.642
139 H ARG 451 HN ARG 451 -3.747 8.777 -1.612
140 HA ARG 451 HA ARG 451 -5.000 11.178 -2.616
141 HB2 ARG 451 HB2 ARG 451 -2.808 10.825 -0.572
142 HB3 ARG 451 HB1 ARG 451 -3.616 12.343 -0.943
143 HG2 ARG 451 HG2 ARG 451 -4.947 9.878 0.166
144 HG3 ARG 451 HG1 ARG 451 -4.495 11.314 1.089
145 HD2 ARG 451 HD2 ARG 451 -6.048 12.667 -0.099
146 HD3 ARG 451 HD1 ARG 451 -6.344 11.394 -1.284
147 HE ARG 451 HE ARG 451 -7.039 10.350 1.195
148 HH11 ARG 451 HH11 ARG 451 -8.067 12.990 -0.881
149 HH12 ARG 451 HH12 ARG 451 -9.728 12.911 -0.363
150 HH21 ARG 451 HH21 ARG 451 -9.212 10.250 1.874
151 HH22 ARG 451 HH22 ARG 451 -10.379 11.364 1.207
152 H THR 452 HN THR 452 -1.933 9.523 -2.923
153 HA THR 452 HA THR 452 -1.078 11.607 -4.818
154 HB THR 452 HB THR 452 1.272 10.645 -4.259
155 HG1 THR 452 HG1 THR 452 1.423 9.666 -2.263
156 HG21 THR 452 HG21 THR 452 0.570 12.916 -3.701
157 HG22 THR 452 HG22 THR 452 1.493 12.212 -2.372
158 HG23 THR 452 HG23 THR 452 -0.263 12.318 -2.266
159 H ALA 453 HN ALA 453 -2.229 8.543 -4.645
160 HA ALA 453 HA ALA 453 -2.348 6.767 -6.055
161 HB1 ALA 453 HB1 ALA 453 -2.824 8.458 -7.748
162 HB2 ALA 453 HB2 ALA 453 -1.879 7.131 -8.430
163 HB3 ALA 453 HB3 ALA 453 -1.097 8.663 -8.041
164 H GLU 454 HN GLU 454 -0.096 7.019 -4.334
165 HA GLU 454 HA GLU 454 2.087 5.839 -5.932
166 HB2 GLU 454 HB2 GLU 454 3.673 6.764 -4.418
167 HB3 GLU 454 HB1 GLU 454 2.559 8.060 -4.825
168 HG2 GLU 454 HG2 GLU 454 1.410 7.778 -2.715
169 HG3 GLU 454 HG1 GLU 454 2.441 6.407 -2.314
170 H SER 455 HN SER 455 3.205 4.036 -5.072
171 HA SER 455 HA SER 455 1.648 2.517 -3.137
172 HB2 SER 455 HB2 SER 455 3.227 0.670 -3.695
173 HB3 SER 455 HB1 SER 455 2.415 1.325 -5.116
174 HG SER 455 HG SER 455 4.810 2.540 -4.457
175 H THR 456 HN THR 456 1.996 2.969 -1.089
176 HA THR 456 HA THR 456 4.608 3.869 -0.167
177 HB THR 456 HB THR 456 2.017 3.623 1.377
178 HG1 THR 456 HG1 THR 456 2.986 5.571 -0.385
179 HG21 THR 456 HG21 THR 456 3.913 3.774 2.849
180 HG22 THR 456 HG22 THR 456 3.099 5.338 2.834
181 HG23 THR 456 HG23 THR 456 4.588 5.109 1.918
182 H TRP 457 HN TRP 457 6.016 2.451 0.639
183 HA TRP 457 HA TRP 457 5.012 -0.153 1.551
184 HB2 TRP 457 HB2 TRP 457 7.761 0.662 0.582
185 HB3 TRP 457 HB1 TRP 457 7.340 -0.951 1.159
186 HD1 TRP 457 HD1 TRP 457 6.562 1.472 -1.728
187 HE1 TRP 457 HE1 TRP 457 5.694 0.113 -3.731
188 HE3 TRP 457 HE3 TRP 457 6.339 -3.136 0.468
189 HZ2 TRP 457 HZ2 TRP 457 4.986 -2.566 -4.295
190 HZ3 TRP 457 HZ3 TRP 457 5.564 -5.048 -0.872
191 HH2 TRP 457 HH2 TRP 457 4.910 -4.771 -3.209
192 H GLU 458 HN GLU 458 5.882 2.708 2.795
193 HA GLU 458 HA GLU 458 7.269 1.727 5.149
194 HB2 GLU 458 HB2 GLU 458 6.154 4.481 4.564
195 HB3 GLU 458 HB1 GLU 458 7.279 4.061 5.850
196 HG2 GLU 458 HG2 GLU 458 8.997 3.544 4.249
197 HG3 GLU 458 HG1 GLU 458 7.873 3.796 2.913
198 H LYS 459 HN LYS 459 6.326 1.537 7.174
199 HA LYS 459 HA LYS 459 3.584 0.776 7.163
200 HB2 LYS 459 HB2 LYS 459 5.212 -0.396 8.515
201 HB3 LYS 459 HB1 LYS 459 5.595 1.069 9.398
202 HG2 LYS 459 HG2 LYS 459 4.268 -0.265 10.818
203 HG3 LYS 459 HG1 LYS 459 3.240 1.053 10.259
204 HD2 LYS 459 HD2 LYS 459 3.154 -1.368 8.593
205 HD3 LYS 459 HD1 LYS 459 2.541 -1.577 10.236
206 HE2 LYS 459 HE2 LYS 459 1.059 0.353 9.905
207 HE3 LYS 459 HE1 LYS 459 1.649 0.513 8.254
208 HZ1 LYS 459 HZ1 LYS 459 0.164 -1.807 9.365
209 HZ2 LYS 459 HZ2 LYS 459 0.774 -1.712 7.785
210 HZ3 LYS 459 HZ3 LYS 459 -0.443 -0.644 8.292
211 HA PRO 460 HA PRO 460 2.086 4.769 8.691
212 HB2 PRO 460 HB2 PRO 460 -0.307 4.635 7.379
213 HB3 PRO 460 HB1 PRO 460 1.167 5.273 6.652
214 HG2 PRO 460 HG2 PRO 460 -0.268 2.835 6.017
215 HG3 PRO 460 HG1 PRO 460 1.087 3.581 5.158
216 HD2 PRO 460 HD2 PRO 460 1.094 1.346 7.047
217 HD3 PRO 460 HD1 PRO 460 2.363 1.877 5.926
Start of MODEL 6
1 H SER 433 HT1 SER 433 -11.519 2.362 5.330
2 HA SER 433 HA SER 433 -10.469 4.459 4.911
3 HB2 SER 433 HB2 SER 433 -8.135 3.828 5.742
4 HB3 SER 433 HB1 SER 433 -9.489 3.251 6.712
5 HG SER 433 HG SER 433 -7.834 1.654 6.262
6 H GLU 434 HN GLU 434 -8.479 5.523 4.012
7 HA GLU 434 HA GLU 434 -8.520 5.157 1.184
8 HB2 GLU 434 HB2 GLU 434 -6.730 6.901 2.879
9 HB3 GLU 434 HB1 GLU 434 -6.951 7.037 1.141
10 HG2 GLU 434 HG2 GLU 434 -9.111 7.853 1.355
11 HG3 GLU 434 HG1 GLU 434 -9.271 7.271 3.011
12 H TRP 435 HN TRP 435 -6.325 4.246 3.742
13 HA TRP 435 HA TRP 435 -4.242 3.563 1.831
14 HB2 TRP 435 HB2 TRP 435 -4.154 3.256 4.841
15 HB3 TRP 435 HB1 TRP 435 -2.788 3.280 3.725
16 HD1 TRP 435 HD1 TRP 435 -4.720 5.509 5.945
17 HE1 TRP 435 HE1 TRP 435 -4.164 7.976 5.483
18 HE3 TRP 435 HE3 TRP 435 -2.192 4.965 1.539
19 HZ2 TRP 435 HZ2 TRP 435 -2.843 9.497 3.504
20 HZ3 TRP 435 HZ3 TRP 435 -1.331 6.975 0.416
21 HH2 TRP 435 HH2 TRP 435 -1.663 9.196 1.358
22 H THR 436 HN THR 436 -4.703 1.777 0.769
23 HA THR 436 HA THR 436 -6.008 -0.463 2.088
24 HB THR 436 HB THR 436 -5.263 0.060 -0.791
25 HG1 THR 436 HG1 THR 436 -7.150 1.082 0.433
26 HG21 THR 436 HG21 THR 436 -5.115 -2.349 -0.386
27 HG22 THR 436 HG22 THR 436 -6.544 -1.975 -1.352
28 HG23 THR 436 HG23 THR 436 -6.712 -2.333 0.367
29 H GLU 437 HN GLU 437 -5.034 -2.341 2.620
30 HA GLU 437 HA GLU 437 -2.197 -2.605 2.074
31 HB2 GLU 437 HB2 GLU 437 -2.433 -4.694 3.501
32 HB3 GLU 437 HB1 GLU 437 -2.718 -3.167 4.309
33 HG2 GLU 437 HG2 GLU 437 -4.421 -4.427 5.146
34 HG3 GLU 437 HG1 GLU 437 -5.219 -3.689 3.760
35 H ARG 438 HN ARG 438 -1.459 -3.653 0.367
36 HA ARG 438 HA ARG 438 -3.422 -5.194 -1.166
37 HB2 ARG 438 HB2 ARG 438 -0.933 -3.703 -1.942
38 HB3 ARG 438 HB1 ARG 438 -1.566 -4.979 -2.979
39 HG2 ARG 438 HG2 ARG 438 -3.742 -3.781 -3.036
40 HG3 ARG 438 HG1 ARG 438 -2.991 -2.467 -2.129
41 HD2 ARG 438 HD2 ARG 438 -3.064 -2.053 -4.566
42 HD3 ARG 438 HD1 ARG 438 -1.426 -2.066 -3.913
43 HE ARG 438 HE ARG 438 -1.859 -4.630 -4.772
44 HH11 ARG 438 HH11 ARG 438 -2.036 -1.479 -6.291
45 HH12 ARG 438 HH12 ARG 438 -1.499 -2.054 -7.837
46 HH21 ARG 438 HH21 ARG 438 -1.199 -5.403 -6.811
47 HH22 ARG 438 HH22 ARG 438 -1.069 -4.296 -8.151
48 H LYS 439 HN LYS 439 -3.377 -7.264 -0.942
49 HA LYS 439 HA LYS 439 -0.986 -8.528 0.095
50 HB2 LYS 439 HB2 LYS 439 -2.430 -10.549 0.347
51 HB3 LYS 439 HB1 LYS 439 -3.011 -9.153 1.236
52 HG2 LYS 439 HG2 LYS 439 -4.099 -9.883 -1.468
53 HG3 LYS 439 HG1 LYS 439 -4.729 -10.582 0.020
54 HD2 LYS 439 HD2 LYS 439 -4.501 -7.630 -0.081
55 HD3 LYS 439 HD1 LYS 439 -5.736 -8.368 -1.099
56 HE2 LYS 439 HE2 LYS 439 -6.728 -7.799 1.004
57 HE3 LYS 439 HE1 LYS 439 -6.602 -9.552 0.901
58 HZ1 LYS 439 HZ1 LYS 439 -4.583 -9.408 2.283
59 HZ2 LYS 439 HZ2 LYS 439 -5.964 -8.835 3.070
60 HZ3 LYS 439 HZ3 LYS 439 -4.829 -7.735 2.453
61 H THR 440 HN THR 440 0.330 -8.415 -1.649
62 HA THR 440 HA THR 440 -0.413 -9.788 -4.097
63 HB THR 440 HB THR 440 2.236 -8.544 -3.313
64 HG1 THR 440 HG1 THR 440 -0.015 -7.502 -4.740
65 HG21 THR 440 HG21 THR 440 1.147 -9.334 -6.019
66 HG22 THR 440 HG22 THR 440 2.433 -10.162 -5.139
67 HG23 THR 440 HG23 THR 440 2.683 -8.517 -5.720
68 H ALA 441 HN ALA 441 0.176 -11.805 -4.653
69 HA ALA 441 HA ALA 441 0.948 -13.611 -2.605
70 HB1 ALA 441 HB1 ALA 441 0.772 -15.326 -4.305
71 HB2 ALA 441 HB2 ALA 441 0.765 -14.101 -5.573
72 HB3 ALA 441 HB3 ALA 441 -0.578 -14.198 -4.433
73 H ASP 442 HN ASP 442 2.865 -11.570 -4.305
74 HA ASP 442 HA ASP 442 5.125 -13.286 -4.766
75 HB2 ASP 442 HB2 ASP 442 4.733 -11.249 -6.116
76 HB3 ASP 442 HB1 ASP 442 4.961 -10.261 -4.679
77 H GLY 443 HN GLY 443 3.713 -12.165 -2.027
78 HA2 GLY 443 HA2 GLY 443 4.482 -12.600 0.144
79 HA3 GLY 443 HA1 GLY 443 6.122 -12.696 -0.480
80 H LYS 444 HN LYS 444 3.814 -10.080 -0.986
81 HA LYS 444 HA LYS 444 5.139 -8.429 0.977
82 HB2 LYS 444 HB2 LYS 444 5.463 -6.572 -0.739
83 HB3 LYS 444 HB1 LYS 444 6.616 -7.896 -0.762
84 HG2 LYS 444 HG2 LYS 444 5.810 -8.740 -2.762
85 HG3 LYS 444 HG1 LYS 444 4.242 -7.944 -2.581
86 HD2 LYS 444 HD2 LYS 444 5.173 -5.811 -3.063
87 HD3 LYS 444 HD1 LYS 444 6.820 -6.430 -2.945
88 HE2 LYS 444 HE2 LYS 444 4.953 -7.568 -4.976
89 HE3 LYS 444 HE1 LYS 444 5.722 -6.010 -5.277
90 HZ1 LYS 444 HZ1 LYS 444 7.883 -7.152 -4.805
91 HZ2 LYS 444 HZ2 LYS 444 7.103 -7.649 -6.223
92 HZ3 LYS 444 HZ3 LYS 444 7.051 -8.633 -4.842
93 H THR 445 HN THR 445 3.619 -7.436 2.047
94 HA THR 445 HA THR 445 1.153 -6.621 0.666
95 HB THR 445 HB THR 445 1.593 -6.635 3.657
96 HG1 THR 445 HG1 THR 445 1.544 -8.774 2.073
97 HG21 THR 445 HG21 THR 445 -0.907 -6.808 1.974
98 HG22 THR 445 HG22 THR 445 -0.316 -5.360 2.789
99 HG23 THR 445 HG23 THR 445 -0.836 -6.755 3.737
100 H TYR 446 HN TYR 446 0.678 -4.423 0.486
101 HA TYR 446 HA TYR 446 2.417 -2.532 1.862
102 HB2 TYR 446 HB2 TYR 446 2.951 -1.432 -0.390
103 HB3 TYR 446 HB1 TYR 446 3.825 -2.904 0.012
104 HD1 TYR 446 HD1 TYR 446 1.114 -1.506 -2.081
105 HD2 TYR 446 HD2 TYR 446 3.614 -4.864 -1.321
106 HE1 TYR 446 HE1 TYR 446 0.434 -2.486 -4.225
107 HE2 TYR 446 HE2 TYR 446 2.933 -5.858 -3.462
108 HH TYR 446 HH TYR 446 1.102 -5.734 -5.043
109 H TYR 447 HN TYR 447 1.665 -0.382 1.806
110 HA TYR 447 HA TYR 447 -1.228 -0.335 1.491
111 HB2 TYR 447 HB2 TYR 447 0.571 1.736 2.761
112 HB3 TYR 447 HB1 TYR 447 -1.182 1.642 2.893
113 HD1 TYR 447 HD1 TYR 447 -1.783 -1.065 3.522
114 HD2 TYR 447 HD2 TYR 447 1.548 1.253 4.802
115 HE1 TYR 447 HE1 TYR 447 -1.548 -2.505 5.500
116 HE2 TYR 447 HE2 TYR 447 1.784 -0.178 6.790
117 HH TYR 447 HH TYR 447 0.197 -3.166 7.095
118 H TYR 448 HN TYR 448 -1.809 0.089 -0.528
119 HA TYR 448 HA TYR 448 -0.487 2.301 -1.946
120 HB2 TYR 448 HB2 TYR 448 -0.603 -0.045 -2.970
121 HB3 TYR 448 HB1 TYR 448 -2.331 0.233 -3.150
122 HD1 TYR 448 HD1 TYR 448 -3.046 2.299 -4.518
123 HD2 TYR 448 HD2 TYR 448 0.880 0.663 -4.614
124 HE1 TYR 448 HE1 TYR 448 -2.643 3.416 -6.666
125 HE2 TYR 448 HE2 TYR 448 1.298 1.786 -6.766
126 HH TYR 448 HH TYR 448 0.014 2.677 -8.654
127 H ASN 449 HN ASN 449 -1.603 4.123 -2.375
128 HA ASN 449 HA ASN 449 -4.526 4.069 -1.968
129 HB2 ASN 449 HB2 ASN 449 -3.240 5.270 -0.161
130 HB3 ASN 449 HB1 ASN 449 -2.721 6.419 -1.388
131 HD21 ASN 449 HD21 ASN 449 -4.173 7.088 0.914
132 HD22 ASN 449 HD22 ASN 449 -5.717 7.691 0.420
133 H ASN 450 HN ASN 450 -5.697 4.749 -3.621
134 HA ASN 450 HA ASN 450 -4.508 5.556 -6.067
135 HB2 ASN 450 HB2 ASN 450 -6.712 5.615 -6.971
136 HB3 ASN 450 HB1 ASN 450 -6.647 4.259 -5.859
137 HD21 ASN 450 HD21 ASN 450 -6.917 5.977 -3.462
138 HD22 ASN 450 HD22 ASN 450 -8.570 6.493 -3.442
139 H ARG 451 HN ARG 451 -5.131 7.324 -3.309
140 HA ARG 451 HA ARG 451 -6.105 9.762 -4.193
141 HB2 ARG 451 HB2 ARG 451 -5.632 9.006 -1.811
142 HB3 ARG 451 HB1 ARG 451 -3.968 9.481 -2.097
143 HG2 ARG 451 HG2 ARG 451 -6.287 11.374 -2.396
144 HG3 ARG 451 HG1 ARG 451 -5.406 11.151 -0.884
145 HD2 ARG 451 HD2 ARG 451 -3.321 11.766 -2.076
146 HD3 ARG 451 HD1 ARG 451 -4.282 12.106 -3.512
147 HE ARG 451 HE ARG 451 -5.473 13.747 -1.876
148 HH11 ARG 451 HH11 ARG 451 -2.067 12.978 -2.042
149 HH12 ARG 451 HH12 ARG 451 -1.539 14.526 -1.455
150 HH21 ARG 451 HH21 ARG 451 -4.790 15.826 -1.142
151 HH22 ARG 451 HH22 ARG 451 -3.091 16.161 -0.981
152 H THR 452 HN THR 452 -2.703 8.802 -3.862
153 HA THR 452 HA THR 452 -2.004 10.918 -5.790
154 HB THR 452 HB THR 452 -0.017 9.869 -3.803
155 HG1 THR 452 HG1 THR 452 -0.718 11.324 -2.265
156 HG21 THR 452 HG21 THR 452 0.879 12.160 -4.018
157 HG22 THR 452 HG22 THR 452 -0.427 12.550 -5.139
158 HG23 THR 452 HG23 THR 452 0.777 11.337 -5.574
159 H ALA 453 HN ALA 453 -2.431 7.730 -5.625
160 HA ALA 453 HA ALA 453 -1.515 5.812 -6.426
161 HB1 ALA 453 HB1 ALA 453 0.189 7.668 -8.104
162 HB2 ALA 453 HB2 ALA 453 -1.371 6.988 -8.571
163 HB3 ALA 453 HB3 ALA 453 0.019 5.928 -8.341
164 H GLU 454 HN GLU 454 -0.747 6.643 -4.042
165 HA GLU 454 HA GLU 454 2.145 6.867 -3.853
166 HB2 GLU 454 HB2 GLU 454 0.424 8.284 -2.551
167 HB3 GLU 454 HB1 GLU 454 0.189 6.851 -1.561
168 HG2 GLU 454 HG2 GLU 454 1.737 8.102 -0.373
169 HG3 GLU 454 HG1 GLU 454 2.723 6.906 -1.215
170 H SER 455 HN SER 455 3.374 5.132 -3.521
171 HA SER 455 HA SER 455 2.138 2.731 -2.405
172 HB2 SER 455 HB2 SER 455 4.296 1.627 -3.090
173 HB3 SER 455 HB1 SER 455 3.364 2.306 -4.423
174 HG SER 455 HG SER 455 5.465 3.714 -3.135
175 H THR 456 HN THR 456 2.059 2.882 -0.275
176 HA THR 456 HA THR 456 4.300 3.960 1.229
177 HB THR 456 HB THR 456 1.647 2.895 2.227
178 HG1 THR 456 HG1 THR 456 2.495 5.531 1.544
179 HG21 THR 456 HG21 THR 456 3.356 2.963 3.963
180 HG22 THR 456 HG22 THR 456 2.160 4.230 4.233
181 HG23 THR 456 HG23 THR 456 3.733 4.635 3.549
182 H TRP 457 HN TRP 457 5.925 2.622 1.575
183 HA TRP 457 HA TRP 457 5.379 -0.226 2.045
184 HB2 TRP 457 HB2 TRP 457 7.933 1.187 1.235
185 HB3 TRP 457 HB1 TRP 457 7.821 -0.535 1.586
186 HD1 TRP 457 HD1 TRP 457 6.752 2.056 -1.034
187 HE1 TRP 457 HE1 TRP 457 6.117 0.812 -3.202
188 HE3 TRP 457 HE3 TRP 457 7.008 -2.753 0.685
189 HZ2 TRP 457 HZ2 TRP 457 5.758 -1.847 -4.053
190 HZ3 TRP 457 HZ3 TRP 457 6.506 -4.592 -0.875
191 HH2 TRP 457 HH2 TRP 457 5.898 -4.144 -3.197
192 H GLU 458 HN GLU 458 6.144 2.647 3.568
193 HA GLU 458 HA GLU 458 7.432 1.401 5.859
194 HB2 GLU 458 HB2 GLU 458 7.356 3.703 6.824
195 HB3 GLU 458 HB1 GLU 458 8.207 3.616 5.290
196 HG2 GLU 458 HG2 GLU 458 5.319 4.357 5.311
197 HG3 GLU 458 HG1 GLU 458 6.523 5.550 5.793
198 H LYS 459 HN LYS 459 6.469 1.343 7.942
199 HA LYS 459 HA LYS 459 3.608 0.901 7.817
200 HB2 LYS 459 HB2 LYS 459 5.010 -0.764 8.925
201 HB3 LYS 459 HB1 LYS 459 5.601 0.450 10.049
202 HG2 LYS 459 HG2 LYS 459 3.907 -1.015 11.046
203 HG3 LYS 459 HG1 LYS 459 3.405 0.677 11.023
204 HD2 LYS 459 HD2 LYS 459 2.023 0.261 9.064
205 HD3 LYS 459 HD1 LYS 459 2.564 -1.418 9.018
206 HE2 LYS 459 HE2 LYS 459 1.510 -1.865 11.133
207 HE3 LYS 459 HE1 LYS 459 1.087 -0.162 11.322
208 HZ1 LYS 459 HZ1 LYS 459 0.118 -1.807 9.055
209 HZ2 LYS 459 HZ2 LYS 459 -0.453 -0.293 9.571
210 HZ3 LYS 459 HZ3 LYS 459 -0.733 -1.672 10.518
211 HA PRO 460 HA PRO 460 2.985 4.866 9.873
212 HB2 PRO 460 HB2 PRO 460 0.469 5.258 8.930
213 HB3 PRO 460 HB1 PRO 460 1.913 5.616 7.983
214 HG2 PRO 460 HG2 PRO 460 -0.035 3.448 7.667
215 HG3 PRO 460 HG1 PRO 460 1.118 4.100 6.495
216 HD2 PRO 460 HD2 PRO 460 1.350 1.710 8.084
217 HD3 PRO 460 HD1 PRO 460 2.483 2.347 6.876
Start of MODEL 7
1 H SER 433 HT1 SER 433 -12.865 3.231 3.799
2 HA SER 433 HA SER 433 -10.498 2.847 4.032
3 HB2 SER 433 HB2 SER 433 -11.704 1.793 1.460
4 HB3 SER 433 HB1 SER 433 -10.295 1.111 2.273
5 HG SER 433 HG SER 433 -11.552 0.167 3.669
6 H GLU 434 HN GLU 434 -8.869 4.230 3.819
7 HA GLU 434 HA GLU 434 -8.446 5.522 1.214
8 HB2 GLU 434 HB2 GLU 434 -7.364 6.293 3.933
9 HB3 GLU 434 HB1 GLU 434 -7.137 7.194 2.443
10 HG2 GLU 434 HG2 GLU 434 -8.822 8.305 3.662
11 HG3 GLU 434 HG1 GLU 434 -9.630 7.467 2.339
12 H TRP 435 HN TRP 435 -7.328 2.993 2.998
13 HA TRP 435 HA TRP 435 -4.672 3.124 1.743
14 HB2 TRP 435 HB2 TRP 435 -5.320 1.944 4.461
15 HB3 TRP 435 HB1 TRP 435 -3.736 1.955 3.690
16 HD1 TRP 435 HD1 TRP 435 -5.689 3.835 6.148
17 HE1 TRP 435 HE1 TRP 435 -4.657 6.158 6.584
18 HE3 TRP 435 HE3 TRP 435 -2.491 4.047 2.173
19 HZ2 TRP 435 HZ2 TRP 435 -2.749 7.852 5.383
20 HZ3 TRP 435 HZ3 TRP 435 -1.102 6.051 1.886
21 HH2 TRP 435 HH2 TRP 435 -1.233 7.917 3.451
22 H THR 436 HN THR 436 -4.629 1.629 0.179
23 HA THR 436 HA THR 436 -6.144 -0.840 0.503
24 HB THR 436 HB THR 436 -4.469 0.197 -1.791
25 HG1 THR 436 HG1 THR 436 -6.992 0.576 -1.071
26 HG21 THR 436 HG21 THR 436 -6.041 -2.391 -1.646
27 HG22 THR 436 HG22 THR 436 -4.281 -2.263 -1.671
28 HG23 THR 436 HG23 THR 436 -5.225 -1.755 -3.074
29 H GLU 437 HN GLU 437 -5.213 -2.352 1.738
30 HA GLU 437 HA GLU 437 -2.337 -2.741 1.573
31 HB2 GLU 437 HB2 GLU 437 -2.678 -4.465 3.298
32 HB3 GLU 437 HB1 GLU 437 -3.375 -2.928 3.783
33 HG2 GLU 437 HG2 GLU 437 -5.173 -4.111 4.322
34 HG3 GLU 437 HG1 GLU 437 -5.493 -4.188 2.590
35 H ARG 438 HN ARG 438 -1.451 -4.120 0.144
36 HA ARG 438 HA ARG 438 -3.338 -5.945 -1.172
37 HB2 ARG 438 HB2 ARG 438 -1.356 -4.086 -2.275
38 HB3 ARG 438 HB1 ARG 438 -1.216 -5.730 -2.918
39 HG2 ARG 438 HG2 ARG 438 -3.545 -5.725 -3.572
40 HG3 ARG 438 HG1 ARG 438 -3.768 -4.132 -2.853
41 HD2 ARG 438 HD2 ARG 438 -2.392 -3.110 -4.465
42 HD3 ARG 438 HD1 ARG 438 -1.787 -4.659 -5.052
43 HE ARG 438 HE ARG 438 -4.647 -4.186 -5.323
44 HH11 ARG 438 HH11 ARG 438 -1.469 -4.164 -6.814
45 HH12 ARG 438 HH12 ARG 438 -2.089 -4.091 -8.439
46 HH21 ARG 438 HH21 ARG 438 -5.469 -4.129 -7.474
47 HH22 ARG 438 HH22 ARG 438 -4.355 -4.135 -8.814
48 H LYS 439 HN LYS 439 -3.125 -7.834 -0.305
49 HA LYS 439 HA LYS 439 -0.521 -8.775 0.558
50 HB2 LYS 439 HB2 LYS 439 -3.217 -10.136 0.710
51 HB3 LYS 439 HB1 LYS 439 -1.741 -10.686 1.483
52 HG2 LYS 439 HG2 LYS 439 -1.729 -8.684 2.885
53 HG3 LYS 439 HG1 LYS 439 -3.215 -8.135 2.107
54 HD2 LYS 439 HD2 LYS 439 -2.903 -10.704 3.665
55 HD3 LYS 439 HD1 LYS 439 -3.640 -9.223 4.276
56 HE2 LYS 439 HE2 LYS 439 -4.628 -10.691 1.839
57 HE3 LYS 439 HE1 LYS 439 -5.248 -10.979 3.463
58 HZ1 LYS 439 HZ1 LYS 439 -6.490 -9.336 1.972
59 HZ2 LYS 439 HZ2 LYS 439 -5.225 -8.254 2.313
60 HZ3 LYS 439 HZ3 LYS 439 -6.178 -8.872 3.569
61 H THR 440 HN THR 440 0.523 -9.053 -1.371
62 HA THR 440 HA THR 440 -0.548 -10.952 -3.289
63 HB THR 440 HB THR 440 1.515 -10.541 -4.562
64 HG1 THR 440 HG1 THR 440 2.191 -8.956 -2.286
65 HG21 THR 440 HG21 THR 440 0.203 -8.013 -3.561
66 HG22 THR 440 HG22 THR 440 -0.390 -9.040 -4.866
67 HG23 THR 440 HG23 THR 440 1.133 -8.170 -5.051
68 H ALA 441 HN ALA 441 0.394 -12.941 -3.794
69 HA ALA 441 HA ALA 441 1.297 -14.370 -1.475
70 HB1 ALA 441 HB1 ALA 441 0.939 -15.338 -4.307
71 HB2 ALA 441 HB2 ALA 441 -0.300 -15.345 -3.052
72 HB3 ALA 441 HB3 ALA 441 1.138 -16.349 -2.877
73 H ASP 442 HN ASP 442 3.009 -12.385 -3.195
74 HA ASP 442 HA ASP 442 5.365 -14.002 -3.689
75 HB2 ASP 442 HB2 ASP 442 4.708 -11.992 -5.084
76 HB3 ASP 442 HB1 ASP 442 5.106 -10.986 -3.696
77 H GLY 443 HN GLY 443 3.842 -12.791 -1.054
78 HA2 GLY 443 HA2 GLY 443 4.588 -12.957 1.160
79 HA3 GLY 443 HA1 GLY 443 6.246 -12.987 0.576
80 H LYS 444 HN LYS 444 3.780 -10.612 -0.282
81 HA LYS 444 HA LYS 444 5.021 -8.620 1.417
82 HB2 LYS 444 HB2 LYS 444 5.518 -7.089 -0.457
83 HB3 LYS 444 HB1 LYS 444 6.484 -8.557 -0.518
84 HG2 LYS 444 HG2 LYS 444 4.778 -9.451 -2.151
85 HG3 LYS 444 HG1 LYS 444 4.133 -7.812 -2.223
86 HD2 LYS 444 HD2 LYS 444 6.296 -6.988 -2.984
87 HD3 LYS 444 HD1 LYS 444 6.962 -8.623 -2.886
88 HE2 LYS 444 HE2 LYS 444 4.950 -9.211 -4.453
89 HE3 LYS 444 HE1 LYS 444 4.985 -7.486 -4.814
90 HZ1 LYS 444 HZ1 LYS 444 6.312 -8.792 -6.369
91 HZ2 LYS 444 HZ2 LYS 444 7.282 -9.343 -5.094
92 HZ3 LYS 444 HZ3 LYS 444 7.277 -7.694 -5.505
93 H THR 445 HN THR 445 3.412 -7.566 2.309
94 HA THR 445 HA THR 445 1.003 -6.957 0.747
95 HB THR 445 HB THR 445 1.522 -6.536 3.703
96 HG1 THR 445 HG1 THR 445 0.574 -8.449 4.047
97 HG21 THR 445 HG21 THR 445 -0.910 -6.223 3.857
98 HG22 THR 445 HG22 THR 445 -1.037 -6.377 2.105
99 HG23 THR 445 HG23 THR 445 -0.165 -5.015 2.807
100 H TYR 446 HN TYR 446 0.686 -4.877 -0.005
101 HA TYR 446 HA TYR 446 2.477 -2.844 1.108
102 HB2 TYR 446 HB2 TYR 446 2.928 -1.935 -1.138
103 HB3 TYR 446 HB1 TYR 446 3.594 -3.537 -0.894
104 HD1 TYR 446 HD1 TYR 446 0.641 -1.818 -2.417
105 HD2 TYR 446 HD2 TYR 446 3.262 -5.163 -2.517
106 HE1 TYR 446 HE1 TYR 446 -0.299 -2.475 -4.573
107 HE2 TYR 446 HE2 TYR 446 2.289 -5.862 -4.667
108 HH TYR 446 HH TYR 446 0.564 -5.526 -6.124
109 H TYR 447 HN TYR 447 1.732 -0.776 1.161
110 HA TYR 447 HA TYR 447 -1.182 -0.644 0.962
111 HB2 TYR 447 HB2 TYR 447 0.628 1.311 2.390
112 HB3 TYR 447 HB1 TYR 447 -1.098 1.056 2.630
113 HD1 TYR 447 HD1 TYR 447 -1.714 -1.451 3.353
114 HD2 TYR 447 HD2 TYR 447 2.070 0.403 3.938
115 HE1 TYR 447 HE1 TYR 447 -1.210 -3.058 5.146
116 HE2 TYR 447 HE2 TYR 447 2.580 -1.193 5.737
117 HH TYR 447 HH TYR 447 0.709 -4.009 6.292
118 H TYR 448 HN TYR 448 -1.915 0.244 -0.839
119 HA TYR 448 HA TYR 448 -0.315 2.193 -2.272
120 HB2 TYR 448 HB2 TYR 448 -1.686 0.255 -3.324
121 HB3 TYR 448 HB1 TYR 448 -3.081 1.298 -3.060
122 HD1 TYR 448 HD1 TYR 448 -3.231 3.488 -4.251
123 HD2 TYR 448 HD2 TYR 448 -0.133 0.682 -5.079
124 HE1 TYR 448 HE1 TYR 448 -2.739 4.657 -6.357
125 HE2 TYR 448 HE2 TYR 448 0.367 1.850 -7.185
126 HH TYR 448 HH TYR 448 -0.850 3.340 -8.795
127 H ASN 449 HN ASN 449 -0.595 4.291 -2.169
128 HA ASN 449 HA ASN 449 -2.605 5.371 -0.366
129 HB2 ASN 449 HB2 ASN 449 -0.325 6.116 -0.043
130 HB3 ASN 449 HB1 ASN 449 -0.182 6.558 -1.738
131 HD21 ASN 449 HD21 ASN 449 -1.147 7.541 1.376
132 HD22 ASN 449 HD22 ASN 449 -1.656 9.137 0.957
133 H ASN 450 HN ASN 450 -4.521 5.906 -1.226
134 HA ASN 450 HA ASN 450 -4.687 6.660 -4.025
135 HB2 ASN 450 HB2 ASN 450 -7.004 6.334 -3.897
136 HB3 ASN 450 HB1 ASN 450 -6.355 5.108 -2.820
137 HD21 ASN 450 HD21 ASN 450 -5.838 6.981 -0.631
138 HD22 ASN 450 HD22 ASN 450 -7.376 7.429 0.009
139 H ARG 451 HN ARG 451 -3.841 8.306 -1.388
140 HA ARG 451 HA ARG 451 -5.561 10.584 -1.526
141 HB2 ARG 451 HB2 ARG 451 -2.875 10.226 -0.199
142 HB3 ARG 451 HB1 ARG 451 -3.876 11.664 -0.040
143 HG2 ARG 451 HG2 ARG 451 -5.662 10.252 0.937
144 HG3 ARG 451 HG1 ARG 451 -4.554 8.879 0.878
145 HD2 ARG 451 HD2 ARG 451 -2.989 10.075 2.324
146 HD3 ARG 451 HD1 ARG 451 -4.088 11.452 2.378
147 HE ARG 451 HE ARG 451 -5.369 9.070 3.263
148 HH11 ARG 451 HH11 ARG 451 -3.161 11.611 4.246
149 HH12 ARG 451 HH12 ARG 451 -3.472 11.400 5.948
150 HH21 ARG 451 HH21 ARG 451 -5.788 8.793 5.508
151 HH22 ARG 451 HH22 ARG 451 -4.969 9.808 6.656
152 H THR 452 HN THR 452 -2.178 10.024 -2.470
153 HA THR 452 HA THR 452 -2.442 12.245 -4.391
154 HB THR 452 HB THR 452 0.161 12.219 -4.204
155 HG1 THR 452 HG1 THR 452 0.963 11.042 -2.627
156 HG21 THR 452 HG21 THR 452 -1.246 14.088 -3.487
157 HG22 THR 452 HG22 THR 452 0.073 13.822 -2.347
158 HG23 THR 452 HG23 THR 452 -1.559 13.276 -1.953
159 H ALA 453 HN ALA 453 -2.436 9.020 -4.196
160 HA ALA 453 HA ALA 453 -2.137 7.297 -5.625
161 HB1 ALA 453 HB1 ALA 453 -1.463 9.375 -7.701
162 HB2 ALA 453 HB2 ALA 453 -3.082 8.778 -7.335
163 HB3 ALA 453 HB3 ALA 453 -1.868 7.684 -7.997
164 H GLU 454 HN GLU 454 -0.373 6.837 -4.201
165 HA GLU 454 HA GLU 454 2.104 6.529 -5.673
166 HB2 GLU 454 HB2 GLU 454 3.468 7.352 -3.746
167 HB3 GLU 454 HB1 GLU 454 2.564 8.616 -4.561
168 HG2 GLU 454 HG2 GLU 454 0.888 8.561 -2.779
169 HG3 GLU 454 HG1 GLU 454 1.803 7.295 -1.963
170 H SER 455 HN SER 455 3.395 4.786 -4.835
171 HA SER 455 HA SER 455 1.776 2.917 -3.303
172 HB2 SER 455 HB2 SER 455 3.673 1.314 -3.896
173 HB3 SER 455 HB1 SER 455 2.727 1.941 -5.247
174 HG SER 455 HG SER 455 4.556 2.607 -6.017
175 H THR 456 HN THR 456 1.920 2.970 -1.189
176 HA THR 456 HA THR 456 4.257 4.106 0.105
177 HB THR 456 HB THR 456 1.637 3.222 1.338
178 HG1 THR 456 HG1 THR 456 2.493 5.651 0.142
179 HG21 THR 456 HG21 THR 456 3.461 3.443 2.952
180 HG22 THR 456 HG22 THR 456 2.286 4.740 3.162
181 HG23 THR 456 HG23 THR 456 3.817 5.059 2.344
182 H TRP 457 HN TRP 457 5.843 2.631 0.190
183 HA TRP 457 HA TRP 457 5.310 -0.034 1.253
184 HB2 TRP 457 HB2 TRP 457 7.889 1.216 0.261
185 HB3 TRP 457 HB1 TRP 457 7.684 -0.473 0.723
186 HD1 TRP 457 HD1 TRP 457 6.725 2.011 -2.035
187 HE1 TRP 457 HE1 TRP 457 5.933 0.694 -4.098
188 HE3 TRP 457 HE3 TRP 457 6.731 -2.696 -0.035
189 HZ2 TRP 457 HZ2 TRP 457 5.368 -1.990 -4.776
190 HZ3 TRP 457 HZ3 TRP 457 6.061 -4.586 -1.461
191 HH2 TRP 457 HH2 TRP 457 5.398 -4.240 -3.784
192 H GLU 458 HN GLU 458 5.592 2.889 2.446
193 HA GLU 458 HA GLU 458 7.318 2.369 4.716
194 HB2 GLU 458 HB2 GLU 458 5.515 4.719 4.088
195 HB3 GLU 458 HB1 GLU 458 6.726 4.659 5.363
196 HG2 GLU 458 HG2 GLU 458 8.501 4.650 3.817
197 HG3 GLU 458 HG1 GLU 458 7.421 4.309 2.467
198 H LYS 459 HN LYS 459 6.604 1.775 6.706
199 HA LYS 459 HA LYS 459 3.934 0.819 7.009
200 HB2 LYS 459 HB2 LYS 459 5.544 -0.430 8.152
201 HB3 LYS 459 HB1 LYS 459 6.342 0.996 8.790
202 HG2 LYS 459 HG2 LYS 459 5.175 -0.301 10.516
203 HG3 LYS 459 HG1 LYS 459 4.566 1.345 10.379
204 HD2 LYS 459 HD2 LYS 459 2.756 -0.273 10.678
205 HD3 LYS 459 HD1 LYS 459 2.640 0.548 9.123
206 HE2 LYS 459 HE2 LYS 459 3.519 -1.374 7.981
207 HE3 LYS 459 HE1 LYS 459 3.861 -2.181 9.514
208 HZ1 LYS 459 HZ1 LYS 459 1.714 -2.759 8.205
209 HZ2 LYS 459 HZ2 LYS 459 1.106 -1.338 8.907
210 HZ3 LYS 459 HZ3 LYS 459 1.651 -2.608 9.892
211 HA PRO 460 HA PRO 460 2.437 4.684 8.774
212 HB2 PRO 460 HB2 PRO 460 -0.110 4.406 7.955
213 HB3 PRO 460 HB1 PRO 460 1.173 4.907 6.849
214 HG2 PRO 460 HG2 PRO 460 -0.246 2.326 7.043
215 HG3 PRO 460 HG1 PRO 460 0.572 3.060 5.654
216 HD2 PRO 460 HD2 PRO 460 1.569 1.038 7.420
217 HD3 PRO 460 HD1 PRO 460 2.403 1.802 6.056
Start of MODEL 8
1 H SER 433 HT1 SER 433 -10.482 3.059 7.510
2 HA SER 433 HA SER 433 -8.280 3.503 6.678
3 HB2 SER 433 HB2 SER 433 -9.583 1.152 5.283
4 HB3 SER 433 HB1 SER 433 -7.872 1.320 5.675
5 HG SER 433 HG SER 433 -8.418 1.301 7.879
6 H GLU 434 HN GLU 434 -7.467 4.937 5.325
7 HA GLU 434 HA GLU 434 -8.710 5.409 2.746
8 HB2 GLU 434 HB2 GLU 434 -7.996 7.249 4.306
9 HB3 GLU 434 HB1 GLU 434 -6.328 6.789 3.995
10 HG2 GLU 434 HG2 GLU 434 -6.892 8.688 2.651
11 HG3 GLU 434 HG1 GLU 434 -6.669 7.286 1.606
12 H TRP 435 HN TRP 435 -5.860 3.961 4.089
13 HA TRP 435 HA TRP 435 -4.590 3.791 1.452
14 HB2 TRP 435 HB2 TRP 435 -3.444 3.162 4.188
15 HB3 TRP 435 HB1 TRP 435 -2.543 3.241 2.672
16 HD1 TRP 435 HD1 TRP 435 -4.162 5.482 5.316
17 HE1 TRP 435 HE1 TRP 435 -3.431 7.922 4.921
18 HE3 TRP 435 HE3 TRP 435 -1.695 4.880 0.881
19 HZ2 TRP 435 HZ2 TRP 435 -2.015 9.386 2.977
20 HZ3 TRP 435 HZ3 TRP 435 -0.689 6.854 -0.183
21 HH2 TRP 435 HH2 TRP 435 -0.856 9.063 0.833
22 H THR 436 HN THR 436 -4.527 1.932 0.346
23 HA THR 436 HA THR 436 -5.881 -0.366 1.516
24 HB THR 436 HB THR 436 -4.975 0.215 -1.309
25 HG1 THR 436 HG1 THR 436 -6.929 1.233 -0.195
26 HG21 THR 436 HG21 THR 436 -6.205 -1.814 -1.965
27 HG22 THR 436 HG22 THR 436 -6.505 -2.181 -0.265
28 HG23 THR 436 HG23 THR 436 -4.855 -2.199 -0.894
29 H GLU 437 HN GLU 437 -4.829 -2.047 2.320
30 HA GLU 437 HA GLU 437 -1.991 -2.368 1.790
31 HB2 GLU 437 HB2 GLU 437 -2.181 -4.214 3.479
32 HB3 GLU 437 HB1 GLU 437 -2.661 -2.638 4.090
33 HG2 GLU 437 HG2 GLU 437 -5.009 -3.237 3.793
34 HG3 GLU 437 HG1 GLU 437 -4.530 -4.816 3.177
35 H ARG 438 HN ARG 438 -1.362 -3.524 0.067
36 HA ARG 438 HA ARG 438 -3.337 -5.379 -1.056
37 HB2 ARG 438 HB2 ARG 438 -1.062 -3.858 -2.322
38 HB3 ARG 438 HB1 ARG 438 -1.860 -5.204 -3.137
39 HG2 ARG 438 HG2 ARG 438 -4.037 -3.941 -2.757
40 HG3 ARG 438 HG1 ARG 438 -3.027 -2.558 -2.328
41 HD2 ARG 438 HD2 ARG 438 -3.680 -2.459 -4.673
42 HD3 ARG 438 HD1 ARG 438 -1.937 -2.674 -4.513
43 HE ARG 438 HE ARG 438 -3.148 -5.197 -4.764
44 HH11 ARG 438 HH11 ARG 438 -2.571 -2.335 -6.696
45 HH12 ARG 438 HH12 ARG 438 -2.453 -3.214 -8.190
46 HH21 ARG 438 HH21 ARG 438 -3.039 -6.348 -6.698
47 HH22 ARG 438 HH22 ARG 438 -2.759 -5.505 -8.199
48 H LYS 439 HN LYS 439 -3.065 -7.321 -0.326
49 HA LYS 439 HA LYS 439 -0.382 -8.293 0.271
50 HB2 LYS 439 HB2 LYS 439 -3.010 -9.725 0.699
51 HB3 LYS 439 HB1 LYS 439 -1.456 -10.105 1.428
52 HG2 LYS 439 HG2 LYS 439 -1.519 -8.037 2.697
53 HG3 LYS 439 HG1 LYS 439 -3.048 -7.598 1.932
54 HD2 LYS 439 HD2 LYS 439 -4.041 -9.675 2.893
55 HD3 LYS 439 HD1 LYS 439 -2.528 -9.937 3.764
56 HE2 LYS 439 HE2 LYS 439 -4.349 -7.548 4.033
57 HE3 LYS 439 HE1 LYS 439 -4.185 -8.865 5.192
58 HZ1 LYS 439 HZ1 LYS 439 -2.005 -8.211 5.718
59 HZ2 LYS 439 HZ2 LYS 439 -2.909 -6.767 5.691
60 HZ3 LYS 439 HZ3 LYS 439 -1.904 -7.162 4.392
61 H THR 440 HN THR 440 0.389 -8.519 -1.835
62 HA THR 440 HA THR 440 -0.913 -10.496 -3.525
63 HB THR 440 HB THR 440 0.006 -8.650 -4.731
64 HG1 THR 440 HG1 THR 440 0.410 -10.237 -6.093
65 HG21 THR 440 HG21 THR 440 2.670 -9.318 -3.480
66 HG22 THR 440 HG22 THR 440 1.671 -7.913 -3.103
67 HG23 THR 440 HG23 THR 440 2.382 -8.086 -4.707
68 H ALA 441 HN ALA 441 -0.107 -12.468 -4.071
69 HA ALA 441 HA ALA 441 1.252 -13.922 -2.075
70 HB1 ALA 441 HB1 ALA 441 0.724 -14.724 -4.933
71 HB2 ALA 441 HB2 ALA 441 -0.402 -14.915 -3.587
72 HB3 ALA 441 HB3 ALA 441 1.120 -15.807 -3.599
73 H ASP 442 HN ASP 442 2.496 -11.868 -4.379
74 HA ASP 442 HA ASP 442 4.994 -13.047 -4.951
75 HB2 ASP 442 HB2 ASP 442 4.203 -11.084 -6.158
76 HB3 ASP 442 HB1 ASP 442 4.184 -10.140 -4.674
77 H GLY 443 HN GLY 443 3.625 -11.991 -2.067
78 HA2 GLY 443 HA2 GLY 443 4.537 -12.383 0.056
79 HA3 GLY 443 HA1 GLY 443 6.136 -12.443 -0.667
80 H LYS 444 HN LYS 444 3.801 -9.864 -1.198
81 HA LYS 444 HA LYS 444 5.216 -8.155 0.682
82 HB2 LYS 444 HB2 LYS 444 5.583 -6.368 -0.992
83 HB3 LYS 444 HB1 LYS 444 6.544 -7.805 -1.301
84 HG2 LYS 444 HG2 LYS 444 5.264 -8.399 -3.163
85 HG3 LYS 444 HG1 LYS 444 3.933 -7.335 -2.697
86 HD2 LYS 444 HD2 LYS 444 5.340 -5.380 -3.122
87 HD3 LYS 444 HD1 LYS 444 6.679 -6.436 -3.574
88 HE2 LYS 444 HE2 LYS 444 4.042 -6.618 -4.978
89 HE3 LYS 444 HE1 LYS 444 5.217 -5.382 -5.426
90 HZ1 LYS 444 HZ1 LYS 444 5.919 -8.259 -5.308
91 HZ2 LYS 444 HZ2 LYS 444 6.764 -7.000 -6.071
92 HZ3 LYS 444 HZ3 LYS 444 5.288 -7.537 -6.708
93 H THR 445 HN THR 445 3.857 -6.937 1.746
94 HA THR 445 HA THR 445 1.244 -6.313 0.543
95 HB THR 445 HB THR 445 2.049 -6.278 3.466
96 HG1 THR 445 HG1 THR 445 1.331 -8.293 1.861
97 HG21 THR 445 HG21 THR 445 0.292 -4.667 3.033
98 HG22 THR 445 HG22 THR 445 -0.389 -6.063 3.872
99 HG23 THR 445 HG23 THR 445 -0.633 -5.869 2.136
100 H TYR 446 HN TYR 446 0.816 -4.191 0.059
101 HA TYR 446 HA TYR 446 2.568 -2.174 1.241
102 HB2 TYR 446 HB2 TYR 446 2.870 -1.127 -1.034
103 HB3 TYR 446 HB1 TYR 446 3.746 -2.627 -0.771
104 HD1 TYR 446 HD1 TYR 446 0.583 -1.335 -2.291
105 HD2 TYR 446 HD2 TYR 446 3.604 -4.329 -2.343
106 HE1 TYR 446 HE1 TYR 446 -0.332 -2.210 -4.389
107 HE2 TYR 446 HE2 TYR 446 2.678 -5.226 -4.438
108 HH TYR 446 HH TYR 446 0.507 -5.216 -5.667
109 H TYR 447 HN TYR 447 1.689 -0.130 1.371
110 HA TYR 447 HA TYR 447 -1.208 -0.160 1.144
111 HB2 TYR 447 HB2 TYR 447 0.539 1.968 2.388
112 HB3 TYR 447 HB1 TYR 447 -1.194 1.732 2.624
113 HD1 TYR 447 HD1 TYR 447 -1.766 -0.790 3.412
114 HD2 TYR 447 HD2 TYR 447 1.903 1.240 4.116
115 HE1 TYR 447 HE1 TYR 447 -1.294 -2.304 5.284
116 HE2 TYR 447 HE2 TYR 447 2.376 -0.267 6.005
117 HH TYR 447 HH TYR 447 0.434 -3.105 6.600
118 H TYR 448 HN TYR 448 -1.532 0.060 -1.014
119 HA TYR 448 HA TYR 448 -0.378 2.358 -2.390
120 HB2 TYR 448 HB2 TYR 448 -0.604 -0.091 -3.328
121 HB3 TYR 448 HB1 TYR 448 -2.254 0.410 -3.682
122 HD1 TYR 448 HD1 TYR 448 -2.525 2.588 -5.086
123 HD2 TYR 448 HD2 TYR 448 1.098 0.382 -4.822
124 HE1 TYR 448 HE1 TYR 448 -1.733 3.645 -7.162
125 HE2 TYR 448 HE2 TYR 448 1.900 1.433 -6.891
126 HH TYR 448 HH TYR 448 0.434 4.148 -8.272
127 H ASN 449 HN ASN 449 -1.490 4.159 -2.734
128 HA ASN 449 HA ASN 449 -4.412 4.065 -2.367
129 HB2 ASN 449 HB2 ASN 449 -3.088 5.102 -0.437
130 HB3 ASN 449 HB1 ASN 449 -2.689 6.401 -1.554
131 HD21 ASN 449 HD21 ASN 449 -4.175 6.501 0.916
132 HD22 ASN 449 HD22 ASN 449 -5.740 7.119 0.527
133 H ASN 450 HN ASN 450 -5.554 4.997 -3.891
134 HA ASN 450 HA ASN 450 -4.393 5.939 -6.287
135 HB2 ASN 450 HB2 ASN 450 -6.502 4.889 -6.454
136 HB3 ASN 450 HB1 ASN 450 -7.199 5.894 -5.190
137 HD21 ASN 450 HD21 ASN 450 -6.202 5.765 -8.527
138 HD22 ASN 450 HD22 ASN 450 -7.091 7.161 -9.042
139 H ARG 451 HN ARG 451 -5.227 7.496 -3.326
140 HA ARG 451 HA ARG 451 -5.616 10.112 -4.368
141 HB2 ARG 451 HB2 ARG 451 -4.886 9.241 -1.580
142 HB3 ARG 451 HB1 ARG 451 -5.369 10.871 -2.033
143 HG2 ARG 451 HG2 ARG 451 -7.539 9.946 -2.817
144 HG3 ARG 451 HG1 ARG 451 -7.046 8.378 -2.175
145 HD2 ARG 451 HD2 ARG 451 -8.440 9.468 -0.555
146 HD3 ARG 451 HD1 ARG 451 -6.785 9.432 0.053
147 HE ARG 451 HE ARG 451 -7.656 11.848 -1.341
148 HH11 ARG 451 HH11 ARG 451 -7.043 10.251 1.722
149 HH12 ARG 451 HH12 ARG 451 -6.882 11.738 2.604
150 HH21 ARG 451 HH21 ARG 451 -7.448 13.799 -0.163
151 HH22 ARG 451 HH22 ARG 451 -7.123 13.736 1.545
152 H THR 452 HN THR 452 -2.823 8.251 -3.668
153 HA THR 452 HA THR 452 -1.190 10.617 -4.310
154 HB THR 452 HB THR 452 0.707 9.243 -3.256
155 HG1 THR 452 HG1 THR 452 -0.024 7.708 -1.715
156 HG21 THR 452 HG21 THR 452 -0.271 11.263 -2.237
157 HG22 THR 452 HG22 THR 452 0.182 10.071 -1.023
158 HG23 THR 452 HG23 THR 452 -1.512 10.270 -1.477
159 H ALA 453 HN ALA 453 -2.321 7.715 -5.519
160 HA ALA 453 HA ALA 453 -1.728 6.253 -7.142
161 HB1 ALA 453 HB1 ALA 453 -0.123 8.605 -8.144
162 HB2 ALA 453 HB2 ALA 453 -1.819 8.281 -8.505
163 HB3 ALA 453 HB3 ALA 453 -0.568 7.181 -9.086
164 H GLU 454 HN GLU 454 -0.169 6.251 -4.708
165 HA GLU 454 HA GLU 454 2.424 5.297 -5.700
166 HB2 GLU 454 HB2 GLU 454 2.700 7.661 -5.049
167 HB3 GLU 454 HB1 GLU 454 2.083 7.287 -3.447
168 HG2 GLU 454 HG2 GLU 454 4.508 7.471 -3.454
169 HG3 GLU 454 HG1 GLU 454 3.983 5.843 -3.025
170 H SER 455 HN SER 455 3.489 3.832 -4.363
171 HA SER 455 HA SER 455 1.743 2.468 -2.455
172 HB2 SER 455 HB2 SER 455 3.583 0.690 -2.609
173 HB3 SER 455 HB1 SER 455 2.614 0.962 -4.058
174 HG SER 455 HG SER 455 4.921 2.498 -3.783
175 H THR 456 HN THR 456 1.938 2.917 -0.385
176 HA THR 456 HA THR 456 4.470 3.903 0.696
177 HB THR 456 HB THR 456 1.789 3.578 2.068
178 HG1 THR 456 HG1 THR 456 2.924 5.681 0.553
179 HG21 THR 456 HG21 THR 456 2.699 5.134 3.720
180 HG22 THR 456 HG22 THR 456 4.233 5.176 2.851
181 HG23 THR 456 HG23 THR 456 3.689 3.680 3.614
182 H TRP 457 HN TRP 457 5.813 2.614 1.822
183 HA TRP 457 HA TRP 457 4.884 -0.102 2.457
184 HB2 TRP 457 HB2 TRP 457 7.716 0.961 2.280
185 HB3 TRP 457 HB1 TRP 457 7.254 -0.721 2.526
186 HD1 TRP 457 HD1 TRP 457 7.434 1.969 -0.182
187 HE1 TRP 457 HE1 TRP 457 7.147 0.852 -2.486
188 HE3 TRP 457 HE3 TRP 457 6.220 -2.747 1.362
189 HZ2 TRP 457 HZ2 TRP 457 6.477 -1.697 -3.503
190 HZ3 TRP 457 HZ3 TRP 457 5.773 -4.469 -0.339
191 HH2 TRP 457 HH2 TRP 457 5.903 -3.951 -2.722
192 H GLU 458 HN GLU 458 5.937 2.845 3.808
193 HA GLU 458 HA GLU 458 6.791 2.029 6.346
194 HB2 GLU 458 HB2 GLU 458 5.369 4.605 5.646
195 HB3 GLU 458 HB1 GLU 458 6.428 4.331 7.019
196 HG2 GLU 458 HG2 GLU 458 7.843 5.429 5.616
197 HG3 GLU 458 HG1 GLU 458 8.180 3.761 5.160
198 H LYS 459 HN LYS 459 5.747 1.363 8.095
199 HA LYS 459 HA LYS 459 2.959 0.736 7.961
200 HB2 LYS 459 HB2 LYS 459 4.956 0.532 10.219
201 HB3 LYS 459 HB1 LYS 459 3.320 -0.112 10.276
202 HG2 LYS 459 HG2 LYS 459 5.345 -0.923 8.205
203 HG3 LYS 459 HG1 LYS 459 5.110 -1.774 9.735
204 HD2 LYS 459 HD2 LYS 459 2.915 -2.409 9.163
205 HD3 LYS 459 HD1 LYS 459 2.844 -1.262 7.825
206 HE2 LYS 459 HE2 LYS 459 4.763 -3.578 7.906
207 HE3 LYS 459 HE1 LYS 459 3.151 -3.692 7.200
208 HZ1 LYS 459 HZ1 LYS 459 3.701 -2.100 5.571
209 HZ2 LYS 459 HZ2 LYS 459 5.006 -3.186 5.610
210 HZ3 LYS 459 HZ3 LYS 459 5.142 -1.667 6.347
211 HA PRO 460 HA PRO 460 1.792 4.615 9.920
212 HB2 PRO 460 HB2 PRO 460 -0.687 4.746 8.899
213 HB3 PRO 460 HB1 PRO 460 0.740 5.098 7.920
214 HG2 PRO 460 HG2 PRO 460 -1.022 2.719 7.905
215 HG3 PRO 460 HG1 PRO 460 -0.066 3.421 6.590
216 HD2 PRO 460 HD2 PRO 460 0.607 1.189 8.222
217 HD3 PRO 460 HD1 PRO 460 1.624 1.978 7.004
Start of MODEL 9
1 H SER 433 HT1 SER 433 -11.134 4.495 6.204
2 HA SER 433 HA SER 433 -8.990 5.276 5.418
3 HB2 SER 433 HB2 SER 433 -9.217 3.230 6.860
4 HB3 SER 433 HB1 SER 433 -9.171 2.251 5.395
5 HG SER 433 HG SER 433 -7.094 2.307 6.009
6 H GLU 434 HN GLU 434 -8.152 6.002 3.596
7 HA GLU 434 HA GLU 434 -8.777 4.781 1.054
8 HB2 GLU 434 HB2 GLU 434 -6.871 7.067 1.544
9 HB3 GLU 434 HB1 GLU 434 -7.732 6.682 0.062
10 HG2 GLU 434 HG2 GLU 434 -8.978 8.430 0.813
11 HG3 GLU 434 HG1 GLU 434 -9.849 7.095 1.559
12 H TRP 435 HN TRP 435 -6.668 3.900 3.312
13 HA TRP 435 HA TRP 435 -4.384 3.465 1.525
14 HB2 TRP 435 HB2 TRP 435 -4.404 2.872 4.479
15 HB3 TRP 435 HB1 TRP 435 -3.031 3.248 3.441
16 HD1 TRP 435 HD1 TRP 435 -5.708 4.874 5.559
17 HE1 TRP 435 HE1 TRP 435 -5.312 7.413 5.666
18 HE3 TRP 435 HE3 TRP 435 -2.027 5.247 2.046
19 HZ2 TRP 435 HZ2 TRP 435 -3.660 9.322 4.407
20 HZ3 TRP 435 HZ3 TRP 435 -1.096 7.464 1.549
21 HH2 TRP 435 HH2 TRP 435 -1.905 9.466 2.693
22 H THR 436 HN THR 436 -4.743 1.630 0.370
23 HA THR 436 HA THR 436 -5.814 -0.714 1.763
24 HB THR 436 HB THR 436 -5.256 -0.230 -1.170
25 HG1 THR 436 HG1 THR 436 -7.476 -0.040 0.491
26 HG21 THR 436 HG21 THR 436 -6.313 -2.427 -1.571
27 HG22 THR 436 HG22 THR 436 -6.375 -2.707 0.170
28 HG23 THR 436 HG23 THR 436 -4.817 -2.583 -0.650
29 H GLU 437 HN GLU 437 -4.484 -2.159 2.617
30 HA GLU 437 HA GLU 437 -1.736 -2.314 1.668
31 HB2 GLU 437 HB2 GLU 437 -1.569 -4.085 3.517
32 HB3 GLU 437 HB1 GLU 437 -1.808 -2.417 4.014
33 HG2 GLU 437 HG2 GLU 437 -4.158 -2.837 4.394
34 HG3 GLU 437 HG1 GLU 437 -3.980 -4.489 3.807
35 H ARG 438 HN ARG 438 -1.366 -3.504 -0.063
36 HA ARG 438 HA ARG 438 -3.299 -5.593 -0.732
37 HB2 ARG 438 HB2 ARG 438 -1.306 -4.020 -2.369
38 HB3 ARG 438 HB1 ARG 438 -2.114 -5.455 -3.005
39 HG2 ARG 438 HG2 ARG 438 -4.241 -4.446 -2.862
40 HG3 ARG 438 HG1 ARG 438 -3.633 -3.133 -1.857
41 HD2 ARG 438 HD2 ARG 438 -4.031 -2.353 -4.113
42 HD3 ARG 438 HD1 ARG 438 -2.310 -2.310 -3.743
43 HE ARG 438 HE ARG 438 -2.832 -4.739 -5.002
44 HH11 ARG 438 HH11 ARG 438 -3.011 -1.338 -5.741
45 HH12 ARG 438 HH12 ARG 438 -2.643 -1.536 -7.429
46 HH21 ARG 438 HH21 ARG 438 -2.352 -5.027 -7.244
47 HH22 ARG 438 HH22 ARG 438 -2.252 -3.628 -8.274
48 H LYS 439 HN LYS 439 -2.764 -7.435 0.184
49 HA LYS 439 HA LYS 439 0.035 -8.137 0.511
50 HB2 LYS 439 HB2 LYS 439 -1.695 -8.399 2.346
51 HB3 LYS 439 HB1 LYS 439 -2.376 -9.715 1.401
52 HG2 LYS 439 HG2 LYS 439 -0.189 -10.866 1.511
53 HG3 LYS 439 HG1 LYS 439 0.390 -9.582 2.576
54 HD2 LYS 439 HD2 LYS 439 -1.591 -10.131 4.066
55 HD3 LYS 439 HD1 LYS 439 -1.803 -11.580 3.081
56 HE2 LYS 439 HE2 LYS 439 -0.524 -12.126 5.053
57 HE3 LYS 439 HE1 LYS 439 0.510 -12.251 3.629
58 HZ1 LYS 439 HZ1 LYS 439 1.517 -10.168 4.152
59 HZ2 LYS 439 HZ2 LYS 439 1.550 -11.109 5.563
60 HZ3 LYS 439 HZ3 LYS 439 0.407 -9.866 5.398
61 H THR 440 HN THR 440 0.741 -8.675 -1.470
62 HA THR 440 HA THR 440 -0.685 -10.661 -3.033
63 HB THR 440 HB THR 440 1.185 -10.389 -4.662
64 HG1 THR 440 HG1 THR 440 2.165 -8.769 -2.574
65 HG21 THR 440 HG21 THR 440 -0.833 -9.049 -4.872
66 HG22 THR 440 HG22 THR 440 0.581 -8.103 -5.337
67 HG23 THR 440 HG23 THR 440 -0.173 -7.846 -3.763
68 H ALA 441 HN ALA 441 0.079 -12.679 -3.602
69 HA ALA 441 HA ALA 441 1.444 -14.139 -1.601
70 HB1 ALA 441 HB1 ALA 441 1.258 -16.036 -3.116
71 HB2 ALA 441 HB2 ALA 441 0.824 -14.950 -4.438
72 HB3 ALA 441 HB3 ALA 441 -0.255 -15.131 -3.054
73 H ASP 442 HN ASP 442 2.668 -12.101 -3.877
74 HA ASP 442 HA ASP 442 5.121 -13.337 -4.566
75 HB2 ASP 442 HB2 ASP 442 4.198 -11.393 -5.765
76 HB3 ASP 442 HB1 ASP 442 4.379 -10.408 -4.321
77 H GLY 443 HN GLY 443 3.866 -12.335 -1.650
78 HA2 GLY 443 HA2 GLY 443 4.882 -12.661 0.428
79 HA3 GLY 443 HA1 GLY 443 6.454 -12.638 -0.359
80 H LYS 444 HN LYS 444 4.095 -10.161 -1.003
81 HA LYS 444 HA LYS 444 5.319 -8.361 0.907
82 HB2 LYS 444 HB2 LYS 444 6.037 -6.720 -0.695
83 HB3 LYS 444 HB1 LYS 444 6.801 -8.254 -1.075
84 HG2 LYS 444 HG2 LYS 444 5.222 -8.607 -2.894
85 HG3 LYS 444 HG1 LYS 444 4.412 -7.089 -2.494
86 HD2 LYS 444 HD2 LYS 444 6.586 -5.918 -2.888
87 HD3 LYS 444 HD1 LYS 444 7.244 -7.447 -3.470
88 HE2 LYS 444 HE2 LYS 444 4.904 -5.950 -4.645
89 HE3 LYS 444 HE1 LYS 444 6.529 -6.037 -5.322
90 HZ1 LYS 444 HZ1 LYS 444 6.235 -8.452 -5.537
91 HZ2 LYS 444 HZ2 LYS 444 5.091 -7.580 -6.441
92 HZ3 LYS 444 HZ3 LYS 444 4.644 -8.301 -4.977
93 H THR 445 HN THR 445 3.939 -6.948 1.675
94 HA THR 445 HA THR 445 1.446 -6.450 0.199
95 HB THR 445 HB THR 445 1.114 -7.357 2.466
96 HG1 THR 445 HG1 THR 445 -0.236 -5.572 3.227
97 HG21 THR 445 HG21 THR 445 3.122 -6.514 3.555
98 HG22 THR 445 HG22 THR 445 1.684 -6.009 4.442
99 HG23 THR 445 HG23 THR 445 2.533 -4.859 3.406
100 H TYR 446 HN TYR 446 0.761 -4.293 -0.127
101 HA TYR 446 HA TYR 446 2.671 -2.211 0.565
102 HB2 TYR 446 HB2 TYR 446 2.570 -1.380 -1.861
103 HB3 TYR 446 HB1 TYR 446 3.631 -2.732 -1.500
104 HD1 TYR 446 HD1 TYR 446 0.493 -1.730 -3.149
105 HD2 TYR 446 HD2 TYR 446 3.226 -4.910 -2.430
106 HE1 TYR 446 HE1 TYR 446 -0.546 -3.025 -4.954
107 HE2 TYR 446 HE2 TYR 446 2.181 -6.221 -4.226
108 HH TYR 446 HH TYR 446 0.129 -6.356 -5.450
109 H TYR 447 HN TYR 447 1.795 -0.247 0.793
110 HA TYR 447 HA TYR 447 -1.106 -0.250 0.911
111 HB2 TYR 447 HB2 TYR 447 0.996 1.609 2.037
112 HB3 TYR 447 HB1 TYR 447 -0.727 1.940 2.143
113 HD1 TYR 447 HD1 TYR 447 1.274 -1.185 2.647
114 HD2 TYR 447 HD2 TYR 447 -1.409 1.651 4.318
115 HE1 TYR 447 HE1 TYR 447 1.115 -2.552 4.680
116 HE2 TYR 447 HE2 TYR 447 -1.586 0.278 6.365
117 HH TYR 447 HH TYR 447 -1.272 -2.345 6.825
118 H TYR 448 HN TYR 448 -1.907 0.143 -1.052
119 HA TYR 448 HA TYR 448 -0.706 2.180 -2.738
120 HB2 TYR 448 HB2 TYR 448 -1.682 -0.152 -3.460
121 HB3 TYR 448 HB1 TYR 448 -3.223 0.696 -3.423
122 HD1 TYR 448 HD1 TYR 448 -3.572 2.666 -4.958
123 HD2 TYR 448 HD2 TYR 448 -0.160 0.139 -5.239
124 HE1 TYR 448 HE1 TYR 448 -3.145 3.503 -7.231
125 HE2 TYR 448 HE2 TYR 448 0.278 0.972 -7.511
126 HH TYR 448 HH TYR 448 -1.208 3.707 -8.797
127 H ASN 449 HN ASN 449 -1.230 4.174 -2.401
128 HA ASN 449 HA ASN 449 -3.754 4.850 -1.095
129 HB2 ASN 449 HB2 ASN 449 -1.766 5.773 -0.087
130 HB3 ASN 449 HB1 ASN 449 -1.233 6.430 -1.631
131 HD21 ASN 449 HD21 ASN 449 -1.115 8.507 -0.765
132 HD22 ASN 449 HD22 ASN 449 -2.535 9.436 -0.415
133 H ASN 450 HN ASN 450 -5.403 5.649 -2.171
134 HA ASN 450 HA ASN 450 -5.223 6.173 -4.992
135 HB2 ASN 450 HB2 ASN 450 -7.178 5.059 -3.963
136 HB3 ASN 450 HB1 ASN 450 -7.548 6.536 -3.087
137 HD21 ASN 450 HD21 ASN 450 -6.463 6.305 -6.436
138 HD22 ASN 450 HD22 ASN 450 -7.917 6.929 -7.129
139 H ARG 451 HN ARG 451 -4.822 8.029 -2.185
140 HA ARG 451 HA ARG 451 -5.831 10.516 -3.158
141 HB2 ARG 451 HB2 ARG 451 -4.058 9.817 -0.833
142 HB3 ARG 451 HB1 ARG 451 -4.561 11.466 -1.193
143 HG2 ARG 451 HG2 ARG 451 -6.796 11.016 -0.717
144 HG3 ARG 451 HG1 ARG 451 -6.569 9.271 -0.852
145 HD2 ARG 451 HD2 ARG 451 -6.839 10.017 1.477
146 HD3 ARG 451 HD1 ARG 451 -5.285 9.244 1.190
147 HE ARG 451 HE ARG 451 -4.656 11.825 0.877
148 HH11 ARG 451 HH11 ARG 451 -6.586 10.241 3.338
149 HH12 ARG 451 HH12 ARG 451 -6.040 11.299 4.611
150 HH21 ARG 451 HH21 ARG 451 -3.963 13.217 2.540
151 HH22 ARG 451 HH22 ARG 451 -4.561 12.989 4.156
152 H THR 452 HN THR 452 -2.652 8.996 -3.118
153 HA THR 452 HA THR 452 -1.662 11.271 -4.713
154 HB THR 452 HB THR 452 0.154 9.438 -3.171
155 HG1 THR 452 HG1 THR 452 -0.250 10.462 -1.354
156 HG21 THR 452 HG21 THR 452 0.401 12.317 -4.057
157 HG22 THR 452 HG22 THR 452 1.173 10.930 -4.824
158 HG23 THR 452 HG23 THR 452 1.628 11.397 -3.186
159 H ALA 453 HN ALA 453 -2.552 8.071 -4.890
160 HA ALA 453 HA ALA 453 -2.136 6.301 -6.252
161 HB1 ALA 453 HB1 ALA 453 -0.765 8.354 -7.994
162 HB2 ALA 453 HB2 ALA 453 -2.466 7.894 -8.072
163 HB3 ALA 453 HB3 ALA 453 -1.216 6.721 -8.487
164 H GLU 454 HN GLU 454 -0.455 6.781 -4.092
165 HA GLU 454 HA GLU 454 2.277 6.274 -5.047
166 HB2 GLU 454 HB2 GLU 454 3.039 7.079 -2.907
167 HB3 GLU 454 HB1 GLU 454 1.877 8.237 -3.539
168 HG2 GLU 454 HG2 GLU 454 0.137 7.173 -2.116
169 HG3 GLU 454 HG1 GLU 454 1.398 6.175 -1.400
170 H SER 455 HN SER 455 3.479 4.541 -4.206
171 HA SER 455 HA SER 455 1.911 2.506 -2.802
172 HB2 SER 455 HB2 SER 455 2.996 1.734 -4.862
173 HB3 SER 455 HB1 SER 455 4.568 2.236 -4.241
174 HG SER 455 HG SER 455 4.455 0.648 -2.695
175 H THR 456 HN THR 456 2.001 2.730 -0.736
176 HA THR 456 HA THR 456 4.327 3.777 0.656
177 HB THR 456 HB THR 456 1.542 2.977 1.536
178 HG1 THR 456 HG1 THR 456 2.563 5.193 0.445
179 HG21 THR 456 HG21 THR 456 1.971 3.733 3.714
180 HG22 THR 456 HG22 THR 456 3.513 4.469 3.246
181 HG23 THR 456 HG23 THR 456 3.355 2.713 3.312
182 H TRP 457 HN TRP 457 5.845 2.457 1.511
183 HA TRP 457 HA TRP 457 5.180 -0.405 1.697
184 HB2 TRP 457 HB2 TRP 457 7.825 0.970 1.214
185 HB3 TRP 457 HB1 TRP 457 7.671 -0.758 1.537
186 HD1 TRP 457 HD1 TRP 457 7.181 1.823 -1.188
187 HE1 TRP 457 HE1 TRP 457 6.534 0.637 -3.378
188 HE3 TRP 457 HE3 TRP 457 6.446 -2.891 0.636
189 HZ2 TRP 457 HZ2 TRP 457 5.784 -1.954 -4.212
190 HZ3 TRP 457 HZ3 TRP 457 5.770 -4.668 -0.923
191 HH2 TRP 457 HH2 TRP 457 5.452 -4.209 -3.300
192 H GLU 458 HN GLU 458 5.495 2.209 3.605
193 HA GLU 458 HA GLU 458 6.443 0.622 5.891
194 HB2 GLU 458 HB2 GLU 458 6.716 2.784 7.051
195 HB3 GLU 458 HB1 GLU 458 7.669 2.711 5.576
196 HG2 GLU 458 HG2 GLU 458 6.015 4.055 4.414
197 HG3 GLU 458 HG1 GLU 458 5.007 4.089 5.860
198 H LYS 459 HN LYS 459 5.035 0.124 7.511
199 HA LYS 459 HA LYS 459 2.244 0.640 7.109
200 HB2 LYS 459 HB2 LYS 459 3.083 -1.455 8.145
201 HB3 LYS 459 HB1 LYS 459 3.652 -0.524 9.525
202 HG2 LYS 459 HG2 LYS 459 1.330 0.162 9.985
203 HG3 LYS 459 HG1 LYS 459 0.792 -0.857 8.647
204 HD2 LYS 459 HD2 LYS 459 2.290 -1.828 11.077
205 HD3 LYS 459 HD1 LYS 459 0.546 -1.950 10.849
206 HE2 LYS 459 HE2 LYS 459 2.580 -3.165 8.985
207 HE3 LYS 459 HE1 LYS 459 1.826 -4.036 10.320
208 HZ1 LYS 459 HZ1 LYS 459 0.362 -2.801 8.035
209 HZ2 LYS 459 HZ2 LYS 459 -0.325 -3.704 9.303
210 HZ3 LYS 459 HZ3 LYS 459 0.720 -4.454 8.205
211 HA PRO 460 HA PRO 460 2.465 4.658 9.076
212 HB2 PRO 460 HB2 PRO 460 -0.240 5.138 8.983
213 HB3 PRO 460 HB1 PRO 460 0.876 5.452 7.653
214 HG2 PRO 460 HG2 PRO 460 -0.999 3.176 8.058
215 HG3 PRO 460 HG1 PRO 460 -0.522 3.995 6.560
216 HD2 PRO 460 HD2 PRO 460 0.458 1.571 7.319
217 HD3 PRO 460 HD1 PRO 460 1.361 2.718 6.311
Start of MODEL 10
1 H SER 433 HT1 SER 433 -10.538 4.704 5.409
2 HA SER 433 HA SER 433 -9.453 1.973 5.029
3 HB2 SER 433 HB2 SER 433 -12.031 3.227 4.050
4 HB3 SER 433 HB1 SER 433 -11.542 1.540 3.882
5 HG SER 433 HG SER 433 -12.742 1.440 5.654
6 H GLU 434 HN GLU 434 -8.740 4.954 4.156
7 HA GLU 434 HA GLU 434 -8.929 4.774 1.293
8 HB2 GLU 434 HB2 GLU 434 -7.581 6.878 1.327
9 HB3 GLU 434 HB1 GLU 434 -9.080 6.969 2.234
10 HG2 GLU 434 HG2 GLU 434 -6.424 6.416 3.532
11 HG3 GLU 434 HG1 GLU 434 -7.055 8.044 3.291
12 H TRP 435 HN TRP 435 -6.678 3.821 3.700
13 HA TRP 435 HA TRP 435 -4.551 3.480 1.735
14 HB2 TRP 435 HB2 TRP 435 -4.490 2.825 4.695
15 HB3 TRP 435 HB1 TRP 435 -3.109 2.936 3.607
16 HD1 TRP 435 HD1 TRP 435 -5.173 4.996 5.935
17 HE1 TRP 435 HE1 TRP 435 -4.486 7.476 5.796
18 HE3 TRP 435 HE3 TRP 435 -2.200 4.789 1.781
19 HZ2 TRP 435 HZ2 TRP 435 -2.910 9.121 4.139
20 HZ3 TRP 435 HZ3 TRP 435 -1.144 6.863 0.983
21 HH2 TRP 435 HH2 TRP 435 -1.501 8.988 2.126
22 H THR 436 HN THR 436 -4.761 1.733 0.496
23 HA THR 436 HA THR 436 -6.149 -0.611 1.511
24 HB THR 436 HB THR 436 -5.116 0.084 -1.239
25 HG1 THR 436 HG1 THR 436 -7.426 0.527 0.102
26 HG21 THR 436 HG21 THR 436 -4.946 -2.345 -0.922
27 HG22 THR 436 HG22 THR 436 -6.257 -1.951 -2.036
28 HG23 THR 436 HG23 THR 436 -6.622 -2.398 -0.369
29 H GLU 437 HN GLU 437 -5.161 -2.330 2.283
30 HA GLU 437 HA GLU 437 -2.306 -2.688 1.861
31 HB2 GLU 437 HB2 GLU 437 -2.639 -4.659 3.403
32 HB3 GLU 437 HB1 GLU 437 -3.044 -3.101 4.108
33 HG2 GLU 437 HG2 GLU 437 -5.408 -3.521 3.726
34 HG3 GLU 437 HG1 GLU 437 -5.021 -5.067 2.975
35 H ARG 438 HN ARG 438 -1.628 -3.748 0.092
36 HA ARG 438 HA ARG 438 -3.581 -5.519 -1.220
37 HB2 ARG 438 HB2 ARG 438 -1.115 -4.164 -2.354
38 HB3 ARG 438 HB1 ARG 438 -2.195 -5.228 -3.254
39 HG2 ARG 438 HG2 ARG 438 -4.031 -3.663 -2.931
40 HG3 ARG 438 HG1 ARG 438 -2.976 -2.607 -1.993
41 HD2 ARG 438 HD2 ARG 438 -2.919 -1.623 -4.078
42 HD3 ARG 438 HD1 ARG 438 -1.482 -2.637 -4.110
43 HE ARG 438 HE ARG 438 -3.819 -3.925 -5.188
44 HH11 ARG 438 HH11 ARG 438 -1.008 -1.958 -5.885
45 HH12 ARG 438 HH12 ARG 438 -1.141 -2.131 -7.604
46 HH21 ARG 438 HH21 ARG 438 -4.024 -4.149 -7.475
47 HH22 ARG 438 HH22 ARG 438 -2.864 -3.354 -8.512
48 H LYS 439 HN LYS 439 -3.322 -7.563 -0.691
49 HA LYS 439 HA LYS 439 -0.687 -8.451 0.127
50 HB2 LYS 439 HB2 LYS 439 -1.820 -10.548 0.846
51 HB3 LYS 439 HB1 LYS 439 -2.397 -9.106 1.658
52 HG2 LYS 439 HG2 LYS 439 -3.844 -10.275 -0.696
53 HG3 LYS 439 HG1 LYS 439 -4.109 -10.854 0.948
54 HD2 LYS 439 HD2 LYS 439 -4.634 -8.485 1.594
55 HD3 LYS 439 HD1 LYS 439 -4.585 -8.077 -0.121
56 HE2 LYS 439 HE2 LYS 439 -6.426 -10.085 1.174
57 HE3 LYS 439 HE1 LYS 439 -6.875 -8.469 0.637
58 HZ1 LYS 439 HZ1 LYS 439 -6.357 -9.106 -1.631
59 HZ2 LYS 439 HZ2 LYS 439 -7.510 -10.158 -0.970
60 HZ3 LYS 439 HZ3 LYS 439 -5.898 -10.658 -1.119
61 H THR 440 HN THR 440 0.435 -8.587 -1.649
62 HA THR 440 HA THR 440 -0.422 -10.260 -3.862
63 HB THR 440 HB THR 440 2.146 -8.737 -3.352
64 HG1 THR 440 HG1 THR 440 -0.312 -8.021 -4.258
65 HG21 THR 440 HG21 THR 440 1.208 -10.074 -5.896
66 HG22 THR 440 HG22 THR 440 2.522 -10.641 -4.865
67 HG23 THR 440 HG23 THR 440 2.665 -9.094 -5.701
68 H ALA 441 HN ALA 441 0.235 -12.307 -4.243
69 HA ALA 441 HA ALA 441 1.129 -13.840 -2.024
70 HB1 ALA 441 HB1 ALA 441 -0.469 -14.688 -3.667
71 HB2 ALA 441 HB2 ALA 441 0.927 -15.754 -3.512
72 HB3 ALA 441 HB3 ALA 441 0.792 -14.674 -4.900
73 H ASP 442 HN ASP 442 2.929 -11.982 -4.009
74 HA ASP 442 HA ASP 442 5.219 -13.662 -4.396
75 HB2 ASP 442 HB2 ASP 442 4.805 -11.792 -5.890
76 HB3 ASP 442 HB1 ASP 442 4.841 -10.662 -4.545
77 H GLY 443 HN GLY 443 3.841 -12.366 -1.700
78 HA2 GLY 443 HA2 GLY 443 4.677 -12.463 0.486
79 HA3 GLY 443 HA1 GLY 443 6.309 -12.581 -0.165
80 H LYS 444 HN LYS 444 3.906 -10.176 -1.050
81 HA LYS 444 HA LYS 444 5.260 -8.167 0.542
82 HB2 LYS 444 HB2 LYS 444 5.346 -6.629 -1.483
83 HB3 LYS 444 HB1 LYS 444 6.563 -7.887 -1.384
84 HG2 LYS 444 HG2 LYS 444 5.669 -9.063 -3.154
85 HG3 LYS 444 HG1 LYS 444 4.067 -8.344 -2.956
86 HD2 LYS 444 HD2 LYS 444 4.792 -6.268 -3.852
87 HD3 LYS 444 HD1 LYS 444 6.487 -6.747 -3.768
88 HE2 LYS 444 HE2 LYS 444 4.560 -8.297 -5.452
89 HE3 LYS 444 HE1 LYS 444 5.242 -6.785 -6.049
90 HZ1 LYS 444 HZ1 LYS 444 6.816 -9.140 -5.138
91 HZ2 LYS 444 HZ2 LYS 444 7.453 -7.689 -5.744
92 HZ3 LYS 444 HZ3 LYS 444 6.544 -8.702 -6.756
93 H THR 445 HN THR 445 3.677 -7.350 1.669
94 HA THR 445 HA THR 445 1.165 -6.601 0.348
95 HB THR 445 HB THR 445 1.839 -6.280 3.285
96 HG1 THR 445 HG1 THR 445 1.377 -8.338 3.597
97 HG21 THR 445 HG21 THR 445 -0.810 -6.526 1.847
98 HG22 THR 445 HG22 THR 445 -0.104 -5.023 2.446
99 HG23 THR 445 HG23 THR 445 -0.580 -6.287 3.579
100 H TYR 446 HN TYR 446 0.550 -4.397 0.172
101 HA TYR 446 HA TYR 446 2.399 -2.400 1.174
102 HB2 TYR 446 HB2 TYR 446 2.535 -1.405 -1.217
103 HB3 TYR 446 HB1 TYR 446 3.608 -2.727 -0.784
104 HD1 TYR 446 HD1 TYR 446 0.664 -1.777 -2.777
105 HD2 TYR 446 HD2 TYR 446 3.400 -4.889 -1.828
106 HE1 TYR 446 HE1 TYR 446 -0.086 -3.028 -4.749
107 HE2 TYR 446 HE2 TYR 446 2.645 -6.160 -3.792
108 HH TYR 446 HH TYR 446 0.718 -6.314 -5.247
109 H TYR 447 HN TYR 447 1.556 -0.335 1.249
110 HA TYR 447 HA TYR 447 -1.350 -0.334 1.149
111 HB2 TYR 447 HB2 TYR 447 0.484 1.821 2.217
112 HB3 TYR 447 HB1 TYR 447 -1.249 1.674 2.490
113 HD1 TYR 447 HD1 TYR 447 -1.750 -0.964 3.343
114 HD2 TYR 447 HD2 TYR 447 1.688 1.416 4.126
115 HE1 TYR 447 HE1 TYR 447 -1.311 -2.278 5.377
116 HE2 TYR 447 HE2 TYR 447 2.135 0.116 6.162
117 HH TYR 447 HH TYR 447 0.503 -2.822 6.876
118 H TYR 448 HN TYR 448 -1.915 -0.078 -0.944
119 HA TYR 448 HA TYR 448 -0.798 2.126 -2.487
120 HB2 TYR 448 HB2 TYR 448 -1.342 -0.163 -3.482
121 HB3 TYR 448 HB1 TYR 448 -3.038 0.266 -3.311
122 HD1 TYR 448 HD1 TYR 448 -3.452 2.841 -4.313
123 HD2 TYR 448 HD2 TYR 448 -0.537 0.024 -5.613
124 HE1 TYR 448 HE1 TYR 448 -3.371 3.949 -6.506
125 HE2 TYR 448 HE2 TYR 448 -0.450 1.128 -7.809
126 HH TYR 448 HH TYR 448 -1.978 2.561 -9.211
127 H ASN 449 HN ASN 449 -1.640 4.067 -2.384
128 HA ASN 449 HA ASN 449 -4.528 4.349 -1.897
129 HB2 ASN 449 HB2 ASN 449 -3.498 4.996 0.141
130 HB3 ASN 449 HB1 ASN 449 -2.237 5.891 -0.697
131 HD21 ASN 449 HD21 ASN 449 -5.618 5.872 0.198
132 HD22 ASN 449 HD22 ASN 449 -5.866 7.575 0.006
133 H ASN 450 HN ASN 450 -5.577 5.782 -3.175
134 HA ASN 450 HA ASN 450 -4.184 6.575 -5.574
135 HB2 ASN 450 HB2 ASN 450 -6.400 7.192 -6.413
136 HB3 ASN 450 HB1 ASN 450 -6.417 5.572 -5.725
137 HD21 ASN 450 HD21 ASN 450 -8.548 7.584 -6.149
138 HD22 ASN 450 HD22 ASN 450 -9.292 7.794 -4.604
139 H ARG 451 HN ARG 451 -5.143 8.092 -2.642
140 HA ARG 451 HA ARG 451 -5.374 10.748 -3.593
141 HB2 ARG 451 HB2 ARG 451 -6.253 9.985 -1.398
142 HB3 ARG 451 HB1 ARG 451 -4.603 9.807 -0.830
143 HG2 ARG 451 HG2 ARG 451 -5.541 12.458 -1.838
144 HG3 ARG 451 HG1 ARG 451 -5.980 11.922 -0.215
145 HD2 ARG 451 HD2 ARG 451 -3.636 11.654 0.353
146 HD3 ARG 451 HD1 ARG 451 -3.164 12.099 -1.285
147 HE ARG 451 HE ARG 451 -4.525 13.962 0.567
148 HH11 ARG 451 HH11 ARG 451 -2.147 13.243 -1.890
149 HH12 ARG 451 HH12 ARG 451 -1.472 14.846 -1.911
150 HH21 ARG 451 HH21 ARG 451 -3.683 16.089 0.536
151 HH22 ARG 451 HH22 ARG 451 -2.370 16.482 -0.537
152 H THR 452 HN THR 452 -2.703 8.751 -2.614
153 HA THR 452 HA THR 452 -0.841 10.924 -3.265
154 HB THR 452 HB THR 452 0.885 9.306 -2.357
155 HG1 THR 452 HG1 THR 452 0.197 7.486 -1.340
156 HG21 THR 452 HG21 THR 452 0.025 11.153 -1.005
157 HG22 THR 452 HG22 THR 452 0.306 9.725 -0.011
158 HG23 THR 452 HG23 THR 452 -1.336 10.154 -0.492
159 H ALA 453 HN ALA 453 -2.086 7.901 -4.338
160 HA ALA 453 HA ALA 453 -1.872 6.674 -6.221
161 HB1 ALA 453 HB1 ALA 453 -0.441 9.117 -7.249
162 HB2 ALA 453 HB2 ALA 453 -2.141 8.701 -7.472
163 HB3 ALA 453 HB3 ALA 453 -0.887 7.729 -8.240
164 H GLU 454 HN GLU 454 -0.061 6.351 -4.093
165 HA GLU 454 HA GLU 454 2.110 5.043 -5.505
166 HB2 GLU 454 HB2 GLU 454 3.814 5.985 -3.913
167 HB3 GLU 454 HB1 GLU 454 3.188 7.119 -5.096
168 HG2 GLU 454 HG2 GLU 454 3.266 8.356 -3.145
169 HG3 GLU 454 HG1 GLU 454 1.579 7.862 -3.240
170 H SER 455 HN SER 455 3.091 3.361 -4.336
171 HA SER 455 HA SER 455 1.397 2.308 -2.218
172 HB2 SER 455 HB2 SER 455 3.796 1.005 -3.527
173 HB3 SER 455 HB1 SER 455 2.538 0.215 -2.575
174 HG SER 455 HG SER 455 2.204 1.509 -5.083
175 H THR 456 HN THR 456 1.852 2.670 -0.181
176 HA THR 456 HA THR 456 4.491 3.588 0.615
177 HB THR 456 HB THR 456 2.062 3.176 2.372
178 HG1 THR 456 HG1 THR 456 2.438 4.966 0.365
179 HG21 THR 456 HG21 THR 456 4.173 3.507 3.557
180 HG22 THR 456 HG22 THR 456 3.119 4.905 3.755
181 HG23 THR 456 HG23 THR 456 4.474 4.976 2.627
182 H TRP 457 HN TRP 457 5.989 2.258 1.420
183 HA TRP 457 HA TRP 457 5.174 -0.433 2.280
184 HB2 TRP 457 HB2 TRP 457 7.919 0.626 1.556
185 HB3 TRP 457 HB1 TRP 457 7.536 -1.045 1.959
186 HD1 TRP 457 HD1 TRP 457 7.047 1.540 -0.835
187 HE1 TRP 457 HE1 TRP 457 6.445 0.294 -3.004
188 HE3 TRP 457 HE3 TRP 457 6.554 -3.175 1.061
189 HZ2 TRP 457 HZ2 TRP 457 5.836 -2.346 -3.803
190 HZ3 TRP 457 HZ3 TRP 457 5.964 -5.005 -0.469
191 HH2 TRP 457 HH2 TRP 457 5.616 -4.601 -2.851
192 H GLU 458 HN GLU 458 6.170 2.558 3.398
193 HA GLU 458 HA GLU 458 7.345 1.617 5.873
194 HB2 GLU 458 HB2 GLU 458 6.598 4.437 5.074
195 HB3 GLU 458 HB1 GLU 458 7.663 3.962 6.388
196 HG2 GLU 458 HG2 GLU 458 9.198 4.566 4.820
197 HG3 GLU 458 HG1 GLU 458 9.039 2.850 4.453
198 H LYS 459 HN LYS 459 6.416 1.982 7.937
199 HA LYS 459 HA LYS 459 3.561 1.710 7.989
200 HB2 LYS 459 HB2 LYS 459 5.616 1.940 10.189
201 HB3 LYS 459 HB1 LYS 459 3.898 1.717 10.489
202 HG2 LYS 459 HG2 LYS 459 5.671 -0.183 8.962
203 HG3 LYS 459 HG1 LYS 459 5.129 -0.386 10.630
204 HD2 LYS 459 HD2 LYS 459 3.373 -0.285 8.176
205 HD3 LYS 459 HD1 LYS 459 3.761 -1.721 9.127
206 HE2 LYS 459 HE2 LYS 459 2.652 -0.715 11.072
207 HE3 LYS 459 HE1 LYS 459 2.262 0.708 10.109
208 HZ1 LYS 459 HZ1 LYS 459 1.032 -0.852 8.593
209 HZ2 LYS 459 HZ2 LYS 459 0.351 -0.640 10.128
210 HZ3 LYS 459 HZ3 LYS 459 1.229 -2.051 9.776
211 HA PRO 460 HA PRO 460 2.815 6.122 8.213
212 HB2 PRO 460 HB2 PRO 460 0.100 5.919 8.330
213 HB3 PRO 460 HB1 PRO 460 1.021 5.792 6.827
214 HG2 PRO 460 HG2 PRO 460 -0.136 3.630 8.533
215 HG3 PRO 460 HG1 PRO 460 -0.074 3.754 6.766
216 HD2 PRO 460 HD2 PRO 460 1.636 2.207 8.211
217 HD3 PRO 460 HD1 PRO 460 2.070 2.945 6.658
Start of MODEL 11
1 H SER 433 HT1 SER 433 -9.985 7.100 7.258
2 HA SER 433 HA SER 433 -8.147 7.015 5.669
3 HB2 SER 433 HB2 SER 433 -8.322 4.526 7.380
4 HB3 SER 433 HB1 SER 433 -6.869 5.418 6.926
5 HG SER 433 HG SER 433 -7.163 6.546 8.662
6 H GLU 434 HN GLU 434 -8.276 6.573 3.516
7 HA GLU 434 HA GLU 434 -9.124 3.892 2.716
8 HB2 GLU 434 HB2 GLU 434 -8.588 6.277 0.938
9 HB3 GLU 434 HB1 GLU 434 -9.347 4.761 0.470
10 HG2 GLU 434 HG2 GLU 434 -10.454 6.889 2.275
11 HG3 GLU 434 HG1 GLU 434 -11.061 6.377 0.701
12 H TRP 435 HN TRP 435 -7.350 2.687 3.200
13 HA TRP 435 HA TRP 435 -5.017 3.123 1.478
14 HB2 TRP 435 HB2 TRP 435 -4.860 2.343 4.406
15 HB3 TRP 435 HB1 TRP 435 -3.497 2.533 3.308
16 HD1 TRP 435 HD1 TRP 435 -5.910 4.528 5.455
17 HE1 TRP 435 HE1 TRP 435 -5.190 7.005 5.494
18 HE3 TRP 435 HE3 TRP 435 -2.231 4.364 1.910
19 HZ2 TRP 435 HZ2 TRP 435 -3.306 8.649 4.215
20 HZ3 TRP 435 HZ3 TRP 435 -1.026 6.440 1.380
21 HH2 TRP 435 HH2 TRP 435 -1.546 8.536 2.509
22 H THR 436 HN THR 436 -4.869 1.399 0.201
23 HA THR 436 HA THR 436 -6.131 -1.104 0.986
24 HB THR 436 HB THR 436 -4.867 -0.245 -1.620
25 HG1 THR 436 HG1 THR 436 -7.352 0.073 -0.530
26 HG21 THR 436 HG21 THR 436 -4.670 -2.668 -1.357
27 HG22 THR 436 HG22 THR 436 -5.881 -2.280 -2.580
28 HG23 THR 436 HG23 THR 436 -6.387 -2.779 -0.967
29 H GLU 437 HN GLU 437 -4.977 -2.678 1.931
30 HA GLU 437 HA GLU 437 -2.126 -2.814 1.397
31 HB2 GLU 437 HB2 GLU 437 -2.315 -4.849 3.010
32 HB3 GLU 437 HB1 GLU 437 -2.408 -3.221 3.656
33 HG2 GLU 437 HG2 GLU 437 -4.101 -4.309 4.769
34 HG3 GLU 437 HG1 GLU 437 -4.957 -3.526 3.444
35 H ARG 438 HN ARG 438 -1.408 -3.827 -0.283
36 HA ARG 438 HA ARG 438 -3.229 -5.642 -1.664
37 HB2 ARG 438 HB2 ARG 438 -0.915 -3.931 -2.506
38 HB3 ARG 438 HB1 ARG 438 -1.326 -5.358 -3.475
39 HG2 ARG 438 HG2 ARG 438 -3.753 -4.350 -3.337
40 HG3 ARG 438 HG1 ARG 438 -2.870 -2.856 -3.020
41 HD2 ARG 438 HD2 ARG 438 -1.590 -3.200 -5.090
42 HD3 ARG 438 HD1 ARG 438 -2.512 -4.661 -5.409
43 HE ARG 438 HE ARG 438 -4.223 -2.422 -5.048
44 HH11 ARG 438 HH11 ARG 438 -2.104 -3.969 -7.373
45 HH12 ARG 438 HH12 ARG 438 -2.902 -3.276 -8.755
46 HH21 ARG 438 HH21 ARG 438 -5.294 -1.530 -6.837
47 HH22 ARG 438 HH22 ARG 438 -4.727 -1.882 -8.450
48 H LYS 439 HN LYS 439 -3.011 -7.719 -1.413
49 HA LYS 439 HA LYS 439 -0.563 -8.752 -0.242
50 HB2 LYS 439 HB2 LYS 439 -3.156 -10.191 -0.834
51 HB3 LYS 439 HB1 LYS 439 -1.808 -10.831 0.090
52 HG2 LYS 439 HG2 LYS 439 -2.178 -9.075 1.788
53 HG3 LYS 439 HG1 LYS 439 -3.584 -8.526 0.871
54 HD2 LYS 439 HD2 LYS 439 -4.582 -10.770 1.110
55 HD3 LYS 439 HD1 LYS 439 -3.200 -11.265 2.085
56 HE2 LYS 439 HE2 LYS 439 -5.045 -10.699 3.529
57 HE3 LYS 439 HE1 LYS 439 -3.767 -9.502 3.723
58 HZ1 LYS 439 HZ1 LYS 439 -4.983 -7.916 2.536
59 HZ2 LYS 439 HZ2 LYS 439 -6.144 -8.662 3.522
60 HZ3 LYS 439 HZ3 LYS 439 -6.046 -9.066 1.881
61 H THR 440 HN THR 440 0.887 -8.781 -1.875
62 HA THR 440 HA THR 440 0.287 -10.245 -4.315
63 HB THR 440 HB THR 440 2.596 -9.697 -4.990
64 HG1 THR 440 HG1 THR 440 2.729 -8.430 -2.428
65 HG21 THR 440 HG21 THR 440 0.791 -8.099 -5.445
66 HG22 THR 440 HG22 THR 440 2.320 -7.273 -5.145
67 HG23 THR 440 HG23 THR 440 1.082 -7.324 -3.890
68 H ALA 441 HN ALA 441 1.376 -12.118 -5.000
69 HA ALA 441 HA ALA 441 1.652 -14.050 -2.923
70 HB1 ALA 441 HB1 ALA 441 2.191 -14.347 -5.871
71 HB2 ALA 441 HB2 ALA 441 0.630 -14.583 -5.084
72 HB3 ALA 441 HB3 ALA 441 1.981 -15.656 -4.711
73 H ASP 442 HN ASP 442 3.831 -11.806 -3.794
74 HA ASP 442 HA ASP 442 6.205 -13.452 -3.706
75 HB2 ASP 442 HB2 ASP 442 6.157 -11.253 -4.889
76 HB3 ASP 442 HB1 ASP 442 5.932 -10.455 -3.336
77 H GLY 443 HN GLY 443 3.897 -12.539 -1.554
78 HA2 GLY 443 HA2 GLY 443 3.808 -13.149 0.699
79 HA3 GLY 443 HA1 GLY 443 5.558 -13.311 0.705
80 H LYS 444 HN LYS 444 3.707 -10.520 -0.404
81 HA LYS 444 HA LYS 444 4.420 -9.026 1.976
82 HB2 LYS 444 HB2 LYS 444 5.607 -7.265 0.719
83 HB3 LYS 444 HB1 LYS 444 6.455 -8.803 0.689
84 HG2 LYS 444 HG2 LYS 444 5.446 -9.191 -1.582
85 HG3 LYS 444 HG1 LYS 444 4.878 -7.521 -1.526
86 HD2 LYS 444 HD2 LYS 444 7.188 -6.752 -1.245
87 HD3 LYS 444 HD1 LYS 444 7.753 -8.422 -1.322
88 HE2 LYS 444 HE2 LYS 444 6.671 -8.561 -3.593
89 HE3 LYS 444 HE1 LYS 444 6.425 -6.817 -3.493
90 HZ1 LYS 444 HZ1 LYS 444 8.845 -6.568 -3.232
91 HZ2 LYS 444 HZ2 LYS 444 8.426 -7.292 -4.703
92 HZ3 LYS 444 HZ3 LYS 444 9.031 -8.242 -3.437
93 H THR 445 HN THR 445 2.957 -7.548 2.448
94 HA THR 445 HA THR 445 1.021 -6.809 0.362
95 HB THR 445 HB THR 445 0.022 -7.966 2.291
96 HG1 THR 445 HG1 THR 445 -1.606 -6.438 2.630
97 HG21 THR 445 HG21 THR 445 -0.055 -6.886 4.493
98 HG22 THR 445 HG22 THR 445 1.041 -5.632 3.913
99 HG23 THR 445 HG23 THR 445 1.596 -7.301 4.034
100 H TYR 446 HN TYR 446 0.694 -4.652 -0.111
101 HA TYR 446 HA TYR 446 2.378 -2.763 1.370
102 HB2 TYR 446 HB2 TYR 446 3.045 -1.677 -0.731
103 HB3 TYR 446 HB1 TYR 446 3.615 -3.330 -0.623
104 HD1 TYR 446 HD1 TYR 446 0.724 -1.422 -2.062
105 HD2 TYR 446 HD2 TYR 446 3.454 -4.644 -2.505
106 HE1 TYR 446 HE1 TYR 446 -0.097 -1.781 -4.329
107 HE2 TYR 446 HE2 TYR 446 2.610 -5.039 -4.781
108 HH TYR 446 HH TYR 446 0.860 -2.815 -6.480
109 H TYR 447 HN TYR 447 1.649 -0.642 1.476
110 HA TYR 447 HA TYR 447 -1.244 -0.507 1.200
111 HB2 TYR 447 HB2 TYR 447 0.620 1.461 2.548
112 HB3 TYR 447 HB1 TYR 447 -1.133 1.417 2.678
113 HD1 TYR 447 HD1 TYR 447 -0.858 -1.829 2.809
114 HD2 TYR 447 HD2 TYR 447 0.635 1.451 5.053
115 HE1 TYR 447 HE1 TYR 447 -0.673 -3.280 4.778
116 HE2 TYR 447 HE2 TYR 447 0.829 0.005 7.033
117 HH TYR 447 HH TYR 447 -0.319 -2.167 7.858
118 H TYR 448 HN TYR 448 -1.795 0.037 -0.832
119 HA TYR 448 HA TYR 448 -0.339 2.129 -2.224
120 HB2 TYR 448 HB2 TYR 448 -1.164 0.020 -3.363
121 HB3 TYR 448 HB1 TYR 448 -2.797 0.653 -3.184
122 HD1 TYR 448 HD2 TYR 448 0.458 1.163 -4.834
123 HD2 TYR 448 HD1 TYR 448 -3.607 2.403 -4.617
124 HE1 TYR 448 HE2 TYR 448 0.737 2.427 -6.924
125 HE2 TYR 448 HE1 TYR 448 -3.337 3.671 -6.708
126 HH TYR 448 HH TYR 448 -0.650 3.300 -8.753
127 H ASN 449 HN ASN 449 -0.893 4.159 -2.210
128 HA ASN 449 HA ASN 449 -3.321 4.987 -0.833
129 HB2 ASN 449 HB2 ASN 449 -1.171 5.975 -0.169
130 HB3 ASN 449 HB1 ASN 449 -0.942 6.583 -1.807
131 HD21 ASN 449 HD21 ASN 449 -0.774 8.690 -0.836
132 HD22 ASN 449 HD22 ASN 449 -2.207 9.540 -0.362
133 H ASN 450 HN ASN 450 -5.065 5.707 -1.868
134 HA ASN 450 HA ASN 450 -4.951 6.131 -4.742
135 HB2 ASN 450 HB2 ASN 450 -7.382 6.230 -4.654
136 HB3 ASN 450 HB1 ASN 450 -6.815 4.814 -3.774
137 HD21 ASN 450 HD21 ASN 450 -7.029 4.747 -1.537
138 HD22 ASN 450 HD22 ASN 450 -8.034 5.855 -0.675
139 H ARG 451 HN ARG 451 -4.600 8.001 -1.973
140 HA ARG 451 HA ARG 451 -5.941 10.355 -2.781
141 HB2 ARG 451 HB2 ARG 451 -3.749 9.866 -0.795
142 HB3 ARG 451 HB1 ARG 451 -4.372 11.477 -1.114
143 HG2 ARG 451 HG2 ARG 451 -5.994 9.138 -0.127
144 HG3 ARG 451 HG1 ARG 451 -5.405 10.477 0.862
145 HD2 ARG 451 HD2 ARG 451 -7.369 10.635 -1.426
146 HD3 ARG 451 HD1 ARG 451 -7.721 10.858 0.288
147 HE ARG 451 HE ARG 451 -6.163 12.841 0.121
148 HH11 ARG 451 HH11 ARG 451 -8.080 11.685 -2.577
149 HH12 ARG 451 HH12 ARG 451 -8.051 13.207 -3.419
150 HH21 ARG 451 HH21 ARG 451 -6.153 14.852 -0.971
151 HH22 ARG 451 HH22 ARG 451 -6.976 15.018 -2.489
152 H THR 452 HN THR 452 -2.557 9.349 -3.025
153 HA THR 452 HA THR 452 -2.150 11.508 -4.990
154 HB THR 452 HB THR 452 0.191 10.348 -3.567
155 HG1 THR 452 HG1 THR 452 -0.360 11.099 -1.666
156 HG21 THR 452 HG21 THR 452 -0.580 13.150 -4.389
157 HG22 THR 452 HG22 THR 452 0.500 12.069 -5.271
158 HG23 THR 452 HG23 THR 452 0.966 12.678 -3.681
159 H ALA 453 HN ALA 453 -2.606 8.305 -4.789
160 HA ALA 453 HA ALA 453 -2.068 6.448 -5.969
161 HB1 ALA 453 HB1 ALA 453 -0.968 8.406 -7.987
162 HB2 ALA 453 HB2 ALA 453 -2.630 7.823 -7.911
163 HB3 ALA 453 HB3 ALA 453 -1.321 6.702 -8.281
164 H GLU 454 HN GLU 454 -0.497 6.692 -3.974
165 HA GLU 454 HA GLU 454 2.299 6.526 -4.895
166 HB2 GLU 454 HB2 GLU 454 1.260 7.046 -2.100
167 HB3 GLU 454 HB1 GLU 454 2.938 7.091 -2.614
168 HG2 GLU 454 HG2 GLU 454 2.585 9.058 -3.891
169 HG3 GLU 454 HG1 GLU 454 0.836 8.947 -3.691
170 H SER 455 HN SER 455 3.466 4.661 -4.432
171 HA SER 455 HA SER 455 2.024 2.511 -3.105
172 HB2 SER 455 HB2 SER 455 4.138 1.197 -3.703
173 HB3 SER 455 HB1 SER 455 3.143 1.761 -5.047
174 HG SER 455 HG SER 455 5.204 2.315 -5.574
175 H THR 456 HN THR 456 1.982 2.793 -0.975
176 HA THR 456 HA THR 456 4.292 3.828 0.449
177 HB THR 456 HB THR 456 1.540 3.068 1.454
178 HG1 THR 456 HG1 THR 456 2.677 5.507 0.538
179 HG21 THR 456 HG21 THR 456 3.240 3.044 3.223
180 HG22 THR 456 HG22 THR 456 2.113 4.385 3.431
181 HG23 THR 456 HG23 THR 456 3.725 4.678 2.776
182 H TRP 457 HN TRP 457 5.813 2.450 1.067
183 HA TRP 457 HA TRP 457 5.071 -0.345 1.581
184 HB2 TRP 457 HB2 TRP 457 7.674 0.941 0.766
185 HB3 TRP 457 HB1 TRP 457 7.587 -0.722 1.342
186 HD1 TRP 457 HD1 TRP 457 6.519 1.474 -1.619
187 HE1 TRP 457 HE1 TRP 457 5.916 -0.061 -3.605
188 HE3 TRP 457 HE3 TRP 457 6.836 -3.058 0.733
189 HZ2 TRP 457 HZ2 TRP 457 5.605 -2.812 -4.090
190 HZ3 TRP 457 HZ3 TRP 457 6.376 -5.093 -0.568
191 HH2 TRP 457 HH2 TRP 457 5.778 -4.975 -2.933
192 H GLU 458 HN GLU 458 5.570 2.416 3.238
193 HA GLU 458 HA GLU 458 6.590 0.950 5.572
194 HB2 GLU 458 HB2 GLU 458 7.210 3.179 6.519
195 HB3 GLU 458 HB1 GLU 458 8.119 2.731 5.087
196 HG2 GLU 458 HG2 GLU 458 5.742 4.571 5.018
197 HG3 GLU 458 HG1 GLU 458 7.398 5.130 5.237
198 H LYS 459 HN LYS 459 5.213 0.590 7.148
199 HA LYS 459 HA LYS 459 2.480 1.130 6.902
200 HB2 LYS 459 HB2 LYS 459 4.039 0.353 9.369
201 HB3 LYS 459 HB1 LYS 459 2.294 0.241 9.193
202 HG2 LYS 459 HG2 LYS 459 2.546 -1.422 7.450
203 HG3 LYS 459 HG1 LYS 459 4.303 -1.264 7.526
204 HD2 LYS 459 HD2 LYS 459 4.243 -2.015 9.874
205 HD3 LYS 459 HD1 LYS 459 2.497 -2.226 9.744
206 HE2 LYS 459 HE2 LYS 459 4.525 -3.661 8.034
207 HE3 LYS 459 HE1 LYS 459 3.793 -4.333 9.489
208 HZ1 LYS 459 HZ1 LYS 459 2.433 -3.628 6.945
209 HZ2 LYS 459 HZ2 LYS 459 1.594 -3.990 8.372
210 HZ3 LYS 459 HZ3 LYS 459 2.586 -5.163 7.656
211 HA PRO 460 HA PRO 460 2.475 5.378 8.536
212 HB2 PRO 460 HB2 PRO 460 -0.426 5.119 8.161
213 HB3 PRO 460 HB1 PRO 460 0.688 6.291 7.459
214 HG2 PRO 460 HG2 PRO 460 -0.452 4.327 6.003
215 HG3 PRO 460 HG1 PRO 460 1.163 4.958 5.654
216 HD2 PRO 460 HD2 PRO 460 0.368 2.421 7.006
217 HD3 PRO 460 HD1 PRO 460 1.715 2.743 5.894
Start of MODEL 12
1 H SER 433 HT1 SER 433 -8.909 8.259 4.215
2 HA SER 433 HA SER 433 -6.274 7.249 5.104
3 HB2 SER 433 HB2 SER 433 -8.963 7.444 6.481
4 HB3 SER 433 HB1 SER 433 -7.584 6.554 7.128
5 HG SER 433 HG SER 433 -6.425 8.499 7.212
6 H GLU 434 HN GLU 434 -8.189 6.569 2.772
7 HA GLU 434 HA GLU 434 -8.915 3.845 3.463
8 HB2 GLU 434 HB2 GLU 434 -9.867 3.778 1.153
9 HB3 GLU 434 HB1 GLU 434 -10.559 5.022 2.179
10 HG2 GLU 434 HG2 GLU 434 -8.409 5.541 0.133
11 HG3 GLU 434 HG1 GLU 434 -10.133 5.705 -0.188
12 H TRP 435 HN TRP 435 -6.799 3.037 3.802
13 HA TRP 435 HA TRP 435 -5.090 2.912 1.415
14 HB2 TRP 435 HB2 TRP 435 -4.377 2.310 4.299
15 HB3 TRP 435 HB1 TRP 435 -3.257 2.335 2.941
16 HD1 TRP 435 HD1 TRP 435 -5.044 4.603 5.387
17 HE1 TRP 435 HE1 TRP 435 -4.196 7.018 5.100
18 HE3 TRP 435 HE3 TRP 435 -2.285 3.992 1.125
19 HZ2 TRP 435 HZ2 TRP 435 -2.576 8.464 3.304
20 HZ3 TRP 435 HZ3 TRP 435 -1.124 5.948 0.186
21 HH2 TRP 435 HH2 TRP 435 -1.270 8.136 1.255
22 H THR 436 HN THR 436 -5.210 1.115 0.260
23 HA THR 436 HA THR 436 -6.200 -1.341 1.471
24 HB THR 436 HB THR 436 -5.413 -0.722 -1.386
25 HG1 THR 436 HG1 THR 436 -7.675 -0.251 0.036
26 HG21 THR 436 HG21 THR 436 -5.127 -3.105 -0.889
27 HG22 THR 436 HG22 THR 436 -6.503 -2.845 -1.963
28 HG23 THR 436 HG23 THR 436 -6.774 -3.174 -0.253
29 H GLU 437 HN GLU 437 -4.873 -2.909 2.198
30 HA GLU 437 HA GLU 437 -2.067 -2.783 1.468
31 HB2 GLU 437 HB2 GLU 437 -1.649 -4.414 3.172
32 HB3 GLU 437 HB1 GLU 437 -2.733 -3.214 3.843
33 HG2 GLU 437 HG2 GLU 437 -3.467 -5.982 2.919
34 HG3 GLU 437 HG1 GLU 437 -3.344 -5.423 4.584
35 H ARG 438 HN ARG 438 -1.481 -3.634 -0.357
36 HA ARG 438 HA ARG 438 -3.251 -5.586 -1.583
37 HB2 ARG 438 HB2 ARG 438 -1.011 -3.881 -2.665
38 HB3 ARG 438 HB1 ARG 438 -1.771 -5.161 -3.613
39 HG2 ARG 438 HG2 ARG 438 -3.931 -4.068 -3.391
40 HG3 ARG 438 HG1 ARG 438 -3.201 -2.808 -2.396
41 HD2 ARG 438 HD2 ARG 438 -3.519 -2.085 -4.718
42 HD3 ARG 438 HD1 ARG 438 -1.819 -2.100 -4.252
43 HE ARG 438 HE ARG 438 -2.364 -4.565 -5.423
44 HH11 ARG 438 HH11 ARG 438 -2.418 -1.201 -6.366
45 HH12 ARG 438 HH12 ARG 438 -1.983 -1.512 -8.019
46 HH21 ARG 438 HH21 ARG 438 -1.768 -4.999 -7.567
47 HH22 ARG 438 HH22 ARG 438 -1.560 -3.685 -8.694
48 H LYS 439 HN LYS 439 -2.930 -7.554 -1.126
49 HA LYS 439 HA LYS 439 -0.306 -8.442 -0.226
50 HB2 LYS 439 HB2 LYS 439 -3.001 -9.815 -0.101
51 HB3 LYS 439 HB1 LYS 439 -1.522 -10.370 0.677
52 HG2 LYS 439 HG2 LYS 439 -1.552 -8.641 2.242
53 HG3 LYS 439 HG1 LYS 439 -2.662 -7.664 1.283
54 HD2 LYS 439 HD2 LYS 439 -3.421 -10.297 2.538
55 HD3 LYS 439 HD1 LYS 439 -3.665 -8.737 3.323
56 HE2 LYS 439 HE2 LYS 439 -4.814 -9.538 0.650
57 HE3 LYS 439 HE1 LYS 439 -5.691 -9.566 2.178
58 HZ1 LYS 439 HZ1 LYS 439 -5.472 -7.190 2.358
59 HZ2 LYS 439 HZ2 LYS 439 -6.119 -7.557 0.834
60 HZ3 LYS 439 HZ3 LYS 439 -4.491 -7.122 0.978
61 H THR 440 HN THR 440 0.801 -8.709 -2.127
62 HA THR 440 HA THR 440 -0.262 -10.542 -4.120
63 HB THR 440 HB THR 440 0.971 -8.596 -4.943
64 HG1 THR 440 HG1 THR 440 2.570 -9.835 -6.222
65 HG21 THR 440 HG21 THR 440 3.397 -8.413 -4.621
66 HG22 THR 440 HG22 THR 440 3.348 -9.779 -3.506
67 HG23 THR 440 HG23 THR 440 2.525 -8.274 -3.095
68 H ALA 441 HN ALA 441 0.681 -12.508 -4.684
69 HA ALA 441 HA ALA 441 1.393 -14.087 -2.431
70 HB1 ALA 441 HB1 ALA 441 1.461 -15.945 -3.999
71 HB2 ALA 441 HB2 ALA 441 1.426 -14.819 -5.357
72 HB3 ALA 441 HB3 ALA 441 0.036 -14.943 -4.278
73 H ASP 442 HN ASP 442 3.258 -12.114 -4.346
74 HA ASP 442 HA ASP 442 5.711 -13.543 -4.376
75 HB2 ASP 442 HB2 ASP 442 5.347 -11.592 -5.803
76 HB3 ASP 442 HB1 ASP 442 5.155 -10.564 -4.389
77 H GLY 443 HN GLY 443 3.849 -12.329 -1.879
78 HA2 GLY 443 HA2 GLY 443 4.269 -12.780 0.378
79 HA3 GLY 443 HA1 GLY 443 5.980 -12.930 0.011
80 H LYS 444 HN LYS 444 3.913 -10.219 -0.897
81 HA LYS 444 HA LYS 444 4.960 -8.630 1.292
82 HB2 LYS 444 HB2 LYS 444 5.861 -6.858 -0.139
83 HB3 LYS 444 HB1 LYS 444 6.729 -8.367 -0.369
84 HG2 LYS 444 HG2 LYS 444 5.845 -8.698 -2.495
85 HG3 LYS 444 HG1 LYS 444 4.501 -7.589 -2.213
86 HD2 LYS 444 HD2 LYS 444 6.105 -6.548 -3.691
87 HD3 LYS 444 HD1 LYS 444 6.111 -5.713 -2.137
88 HE2 LYS 444 HE2 LYS 444 8.370 -5.926 -2.651
89 HE3 LYS 444 HE1 LYS 444 8.074 -7.268 -1.546
90 HZ1 LYS 444 HZ1 LYS 444 8.243 -7.415 -4.509
91 HZ2 LYS 444 HZ2 LYS 444 7.824 -8.723 -3.511
92 HZ3 LYS 444 HZ3 LYS 444 9.369 -8.027 -3.395
93 H THR 445 HN THR 445 3.609 -7.032 1.897
94 HA THR 445 HA THR 445 1.340 -6.467 0.109
95 HB THR 445 HB THR 445 0.835 -7.529 2.389
96 HG1 THR 445 HG1 THR 445 -0.710 -6.379 1.090
97 HG21 THR 445 HG21 THR 445 0.703 -5.995 4.294
98 HG22 THR 445 HG22 THR 445 1.481 -4.734 3.336
99 HG23 THR 445 HG23 THR 445 2.370 -6.197 3.755
100 H TYR 446 HN TYR 446 0.671 -4.283 -0.099
101 HA TYR 446 HA TYR 446 2.392 -2.251 1.066
102 HB2 TYR 446 HB2 TYR 446 2.542 -1.165 -1.273
103 HB3 TYR 446 HB1 TYR 446 3.627 -2.495 -0.898
104 HD1 TYR 446 HD1 TYR 446 0.735 -1.442 -2.898
105 HD2 TYR 446 HD2 TYR 446 3.402 -4.635 -2.013
106 HE1 TYR 446 HE1 TYR 446 0.023 -2.596 -4.944
107 HE2 TYR 446 HE2 TYR 446 2.688 -5.802 -4.054
108 HH TYR 446 HH TYR 446 0.940 -4.303 -6.511
109 H TYR 447 HN TYR 447 1.394 -0.293 1.337
110 HA TYR 447 HA TYR 447 -1.506 -0.457 1.120
111 HB2 TYR 447 HB2 TYR 447 0.111 1.709 2.477
112 HB3 TYR 447 HB1 TYR 447 -1.587 1.313 2.734
113 HD1 TYR 447 HD1 TYR 447 -1.671 -1.505 3.147
114 HD2 TYR 447 HD2 TYR 447 1.317 1.244 4.406
115 HE1 TYR 447 HE1 TYR 447 -1.038 -3.038 4.958
116 HE2 TYR 447 HE2 TYR 447 1.950 -0.280 6.232
117 HH TYR 447 HH TYR 447 0.874 -3.506 6.385
118 H TYR 448 HN TYR 448 -2.150 0.072 -0.868
119 HA TYR 448 HA TYR 448 -0.950 2.423 -2.151
120 HB2 TYR 448 HB2 TYR 448 -1.230 -0.059 -3.167
121 HB3 TYR 448 HB1 TYR 448 -2.761 0.640 -3.683
122 HD1 TYR 448 HD1 TYR 448 -2.627 2.907 -4.950
123 HD2 TYR 448 HD2 TYR 448 0.690 0.293 -4.423
124 HE1 TYR 448 HE1 TYR 448 -1.474 3.997 -6.830
125 HE2 TYR 448 HE2 TYR 448 1.849 1.374 -6.301
126 HH TYR 448 HH TYR 448 0.976 4.312 -7.542
127 H ASN 449 HN ASN 449 -2.082 4.215 -2.371
128 HA ASN 449 HA ASN 449 -5.022 4.082 -2.373
129 HB2 ASN 449 HB2 ASN 449 -4.126 4.839 -0.139
130 HB3 ASN 449 HB1 ASN 449 -3.401 6.215 -0.958
131 HD21 ASN 449 HD21 ASN 449 -5.320 6.268 1.157
132 HD22 ASN 449 HD22 ASN 449 -6.745 7.053 0.560
133 H ASN 450 HN ASN 450 -5.942 5.260 -3.958
134 HA ASN 450 HA ASN 450 -4.278 6.338 -6.004
135 HB2 ASN 450 HB2 ASN 450 -6.343 6.823 -7.194
136 HB3 ASN 450 HB1 ASN 450 -6.432 5.213 -6.488
137 HD21 ASN 450 HD21 ASN 450 -7.695 8.430 -6.457
138 HD22 ASN 450 HD22 ASN 450 -9.030 8.117 -5.403
139 H ARG 451 HN ARG 451 -5.369 7.619 -3.127
140 HA ARG 451 HA ARG 451 -5.991 10.253 -3.621
141 HB2 ARG 451 HB2 ARG 451 -6.003 9.129 -1.399
142 HB3 ARG 451 HB1 ARG 451 -4.251 9.238 -1.371
143 HG2 ARG 451 HG2 ARG 451 -5.875 11.717 -1.703
144 HG3 ARG 451 HG1 ARG 451 -5.697 10.988 -0.106
145 HD2 ARG 451 HD2 ARG 451 -3.286 11.139 -0.277
146 HD3 ARG 451 HD1 ARG 451 -3.419 11.778 -1.914
147 HE ARG 451 HE ARG 451 -4.818 13.348 0.053
148 HH11 ARG 451 HH11 ARG 451 -1.725 12.733 -1.473
149 HH12 ARG 451 HH12 ARG 451 -1.098 14.328 -1.170
150 HH21 ARG 451 HH21 ARG 451 -4.021 15.466 0.436
151 HH22 ARG 451 HH22 ARG 451 -2.413 15.888 -0.092
152 H THR 452 HN THR 452 -2.730 8.889 -3.181
153 HA THR 452 HA THR 452 -1.723 11.164 -4.762
154 HB THR 452 HB THR 452 0.075 9.563 -2.969
155 HG1 THR 452 HG1 THR 452 -0.464 10.801 -1.231
156 HG21 THR 452 HG21 THR 452 1.066 11.157 -4.547
157 HG22 THR 452 HG22 THR 452 1.318 11.672 -2.879
158 HG23 THR 452 HG23 THR 452 0.078 12.449 -3.864
159 H ALA 453 HN ALA 453 -2.525 8.022 -4.972
160 HA ALA 453 HA ALA 453 -1.974 6.218 -6.233
161 HB1 ALA 453 HB1 ALA 453 -0.893 6.584 -8.371
162 HB2 ALA 453 HB2 ALA 453 -0.342 8.175 -7.856
163 HB3 ALA 453 HB3 ALA 453 -2.065 7.869 -8.072
164 H GLU 454 HN GLU 454 -0.539 6.684 -3.922
165 HA GLU 454 HA GLU 454 2.274 6.134 -4.550
166 HB2 GLU 454 HB2 GLU 454 0.859 7.354 -2.205
167 HB3 GLU 454 HB1 GLU 454 2.468 6.672 -2.009
168 HG2 GLU 454 HG2 GLU 454 1.815 8.748 -4.076
169 HG3 GLU 454 HG1 GLU 454 2.351 9.143 -2.442
170 H SER 455 HN SER 455 3.277 4.329 -3.865
171 HA SER 455 HA SER 455 1.726 2.316 -2.456
172 HB2 SER 455 HB2 SER 455 3.837 0.933 -2.844
173 HB3 SER 455 HB1 SER 455 2.966 1.435 -4.293
174 HG SER 455 HG SER 455 4.722 2.398 -4.910
175 H THR 456 HN THR 456 1.702 2.391 -0.313
176 HA THR 456 HA THR 456 3.813 3.774 1.127
177 HB THR 456 HB THR 456 1.364 2.444 2.299
178 HG1 THR 456 HG1 THR 456 0.532 3.907 0.871
179 HG21 THR 456 HG21 THR 456 1.663 4.107 4.081
180 HG22 THR 456 HG22 THR 456 3.098 4.725 3.260
181 HG23 THR 456 HG23 THR 456 3.089 3.083 3.906
182 H TRP 457 HN TRP 457 5.552 2.703 1.735
183 HA TRP 457 HA TRP 457 5.314 -0.163 2.387
184 HB2 TRP 457 HB2 TRP 457 7.781 1.398 1.578
185 HB3 TRP 457 HB1 TRP 457 7.705 -0.337 1.886
186 HD1 TRP 457 HD1 TRP 457 6.795 2.289 -0.722
187 HE1 TRP 457 HE1 TRP 457 6.166 1.111 -2.921
188 HE3 TRP 457 HE3 TRP 457 6.770 -2.547 0.941
189 HZ2 TRP 457 HZ2 TRP 457 5.727 -1.530 -3.828
190 HZ3 TRP 457 HZ3 TRP 457 6.242 -4.341 -0.657
191 HH2 TRP 457 HH2 TRP 457 5.734 -3.842 -2.994
192 H GLU 458 HN GLU 458 5.547 2.818 3.752
193 HA GLU 458 HA GLU 458 7.110 1.969 6.065
194 HB2 GLU 458 HB2 GLU 458 6.704 4.335 6.829
195 HB3 GLU 458 HB1 GLU 458 7.606 4.188 5.328
196 HG2 GLU 458 HG2 GLU 458 5.552 4.655 4.069
197 HG3 GLU 458 HG1 GLU 458 4.688 4.858 5.592
198 H LYS 459 HN LYS 459 6.221 1.338 7.928
199 HA LYS 459 HA LYS 459 3.423 0.788 8.036
200 HB2 LYS 459 HB2 LYS 459 5.676 0.485 10.001
201 HB3 LYS 459 HB1 LYS 459 4.012 0.139 10.453
202 HG2 LYS 459 HG2 LYS 459 5.491 -1.173 8.183
203 HG3 LYS 459 HG1 LYS 459 5.264 -1.869 9.789
204 HD2 LYS 459 HD2 LYS 459 3.048 -1.088 7.893
205 HD3 LYS 459 HD1 LYS 459 3.628 -2.731 8.166
206 HE2 LYS 459 HE2 LYS 459 2.926 -2.644 10.473
207 HE3 LYS 459 HE1 LYS 459 2.476 -0.947 10.309
208 HZ1 LYS 459 HZ1 LYS 459 1.211 -3.212 8.858
209 HZ2 LYS 459 HZ2 LYS 459 0.764 -1.588 8.739
210 HZ3 LYS 459 HZ3 LYS 459 0.547 -2.414 10.200
211 HA PRO 460 HA PRO 460 2.426 4.675 10.067
212 HB2 PRO 460 HB2 PRO 460 -0.166 4.715 9.333
213 HB3 PRO 460 HB1 PRO 460 1.133 5.162 8.224
214 HG2 PRO 460 HG2 PRO 460 -0.541 2.735 8.282
215 HG3 PRO 460 HG1 PRO 460 0.317 3.479 6.925
216 HD2 PRO 460 HD2 PRO 460 1.131 1.234 8.487
217 HD3 PRO 460 HD1 PRO 460 2.027 2.034 7.183
Start of MODEL 13
1 H SER 433 HT1 SER 433 -9.591 4.037 7.133
2 HA SER 433 HA SER 433 -9.530 2.454 5.362
3 HB2 SER 433 HB2 SER 433 -11.762 3.179 4.252
4 HB3 SER 433 HB1 SER 433 -11.727 2.940 5.998
5 HG SER 433 HG SER 433 -11.262 5.498 4.848
6 H GLU 434 HN GLU 434 -7.893 5.030 4.540
7 HA GLU 434 HA GLU 434 -8.558 5.060 1.686
8 HB2 GLU 434 HB2 GLU 434 -6.751 6.873 3.292
9 HB3 GLU 434 HB1 GLU 434 -7.060 7.032 1.573
10 HG2 GLU 434 HG2 GLU 434 -8.408 8.632 2.650
11 HG3 GLU 434 HG1 GLU 434 -9.488 7.336 2.137
12 H TRP 435 HN TRP 435 -6.429 3.587 3.802
13 HA TRP 435 HA TRP 435 -4.309 3.371 1.776
14 HB2 TRP 435 HB2 TRP 435 -4.106 2.655 4.712
15 HB3 TRP 435 HB1 TRP 435 -2.783 2.863 3.563
16 HD1 TRP 435 HD1 TRP 435 -4.900 4.769 5.999
17 HE1 TRP 435 HE1 TRP 435 -4.312 7.276 5.919
18 HE3 TRP 435 HE3 TRP 435 -1.912 4.770 1.858
19 HZ2 TRP 435 HZ2 TRP 435 -2.781 9.016 4.317
20 HZ3 TRP 435 HZ3 TRP 435 -0.927 6.897 1.120
21 HH2 TRP 435 HH2 TRP 435 -1.364 8.978 2.308
22 H THR 436 HN THR 436 -4.497 1.609 0.564
23 HA THR 436 HA THR 436 -5.823 -0.761 1.665
24 HB THR 436 HB THR 436 -5.027 -0.024 -1.156
25 HG1 THR 436 HG1 THR 436 -6.913 0.993 -0.321
26 HG21 THR 436 HG21 THR 436 -6.401 -2.549 -0.202
27 HG22 THR 436 HG22 THR 436 -4.760 -2.453 -0.844
28 HG23 THR 436 HG23 THR 436 -6.139 -2.089 -1.885
29 H GLU 437 HN GLU 437 -4.695 -2.492 2.329
30 HA GLU 437 HA GLU 437 -1.896 -2.731 1.575
31 HB2 GLU 437 HB2 GLU 437 -1.836 -4.649 3.104
32 HB3 GLU 437 HB1 GLU 437 -2.496 -3.232 3.906
33 HG2 GLU 437 HG2 GLU 437 -4.557 -4.142 4.127
34 HG3 GLU 437 HG1 GLU 437 -4.417 -5.097 2.652
35 H ARG 438 HN ARG 438 -1.403 -3.686 -0.274
36 HA ARG 438 HA ARG 438 -3.347 -5.542 -1.427
37 HB2 ARG 438 HB2 ARG 438 -1.944 -3.524 -2.630
38 HB3 ARG 438 HB1 ARG 438 -0.900 -4.906 -2.940
39 HG2 ARG 438 HG2 ARG 438 -2.743 -6.124 -3.956
40 HG3 ARG 438 HG1 ARG 438 -3.823 -4.766 -3.644
41 HD2 ARG 438 HD2 ARG 438 -2.500 -3.351 -5.098
42 HD3 ARG 438 HD1 ARG 438 -1.350 -4.659 -5.362
43 HE ARG 438 HE ARG 438 -4.068 -5.314 -6.084
44 HH11 ARG 438 HH11 ARG 438 -0.995 -4.018 -7.164
45 HH12 ARG 438 HH12 ARG 438 -1.337 -4.252 -8.855
46 HH21 ARG 438 HH21 ARG 438 -4.539 -5.614 -8.299
47 HH22 ARG 438 HH22 ARG 438 -3.375 -5.129 -9.503
48 H LYS 439 HN LYS 439 -3.051 -7.485 -0.487
49 HA LYS 439 HA LYS 439 -0.337 -8.331 0.106
50 HB2 LYS 439 HB2 LYS 439 -2.161 -8.627 1.794
51 HB3 LYS 439 HB1 LYS 439 -2.935 -9.766 0.701
52 HG2 LYS 439 HG2 LYS 439 -0.891 -11.167 0.804
53 HG3 LYS 439 HG1 LYS 439 -0.245 -10.061 2.013
54 HD2 LYS 439 HD2 LYS 439 -2.857 -11.532 2.320
55 HD3 LYS 439 HD1 LYS 439 -1.320 -12.150 2.919
56 HE2 LYS 439 HE2 LYS 439 -2.266 -11.129 4.783
57 HE3 LYS 439 HE1 LYS 439 -1.146 -9.915 4.176
58 HZ1 LYS 439 HZ1 LYS 439 -3.903 -9.801 3.211
59 HZ2 LYS 439 HZ2 LYS 439 -2.829 -8.535 3.572
60 HZ3 LYS 439 HZ3 LYS 439 -3.629 -9.352 4.822
61 H THR 440 HN THR 440 0.528 -8.753 -1.820
62 HA THR 440 HA THR 440 -0.769 -10.600 -3.649
63 HB THR 440 HB THR 440 1.139 -10.202 -5.132
64 HG1 THR 440 HG1 THR 440 2.189 -8.859 -2.847
65 HG21 THR 440 HG21 THR 440 -0.735 -8.516 -4.966
66 HG22 THR 440 HG22 THR 440 0.787 -7.899 -5.611
67 HG23 THR 440 HG23 THR 440 0.332 -7.548 -3.946
68 H ALA 441 HN ALA 441 -0.012 -12.638 -4.180
69 HA ALA 441 HA ALA 441 1.188 -14.135 -2.089
70 HB1 ALA 441 HB1 ALA 441 0.639 -14.942 -4.942
71 HB2 ALA 441 HB2 ALA 441 -0.477 -15.105 -3.586
72 HB3 ALA 441 HB3 ALA 441 1.023 -16.034 -3.611
73 H ASP 442 HN ASP 442 2.603 -12.062 -4.115
74 HA ASP 442 HA ASP 442 4.998 -13.409 -4.857
75 HB2 ASP 442 HB2 ASP 442 4.193 -11.360 -5.971
76 HB3 ASP 442 HB1 ASP 442 4.415 -10.458 -4.479
77 H GLY 443 HN GLY 443 3.732 -12.603 -1.922
78 HA2 GLY 443 HA2 GLY 443 4.726 -13.033 0.155
79 HA3 GLY 443 HA1 GLY 443 6.309 -12.931 -0.606
80 H LYS 444 HN LYS 444 3.930 -10.471 -1.184
81 HA LYS 444 HA LYS 444 5.042 -8.728 0.850
82 HB2 LYS 444 HB2 LYS 444 5.658 -6.961 -0.762
83 HB3 LYS 444 HB1 LYS 444 6.647 -8.402 -0.930
84 HG2 LYS 444 HG2 LYS 444 5.870 -8.864 -2.999
85 HG3 LYS 444 HG1 LYS 444 4.257 -8.228 -2.660
86 HD2 LYS 444 HD2 LYS 444 5.106 -5.951 -2.812
87 HD3 LYS 444 HD1 LYS 444 6.740 -6.558 -3.082
88 HE2 LYS 444 HE2 LYS 444 4.447 -7.250 -4.900
89 HE3 LYS 444 HE1 LYS 444 5.415 -5.794 -5.123
90 HZ1 LYS 444 HZ1 LYS 444 6.417 -8.597 -5.160
91 HZ2 LYS 444 HZ2 LYS 444 7.395 -7.220 -5.276
92 HZ3 LYS 444 HZ3 LYS 444 6.265 -7.549 -6.494
93 H THR 445 HN THR 445 3.560 -7.407 1.626
94 HA THR 445 HA THR 445 1.250 -6.712 -0.059
95 HB THR 445 HB THR 445 0.630 -7.781 2.092
96 HG1 THR 445 HG1 THR 445 -0.899 -6.237 2.650
97 HG21 THR 445 HG21 THR 445 2.527 -7.087 3.453
98 HG22 THR 445 HG22 THR 445 1.010 -6.595 4.209
99 HG23 THR 445 HG23 THR 445 2.000 -5.406 3.358
100 H TYR 446 HN TYR 446 0.716 -4.481 -0.271
101 HA TYR 446 HA TYR 446 2.603 -2.598 0.901
102 HB2 TYR 446 HB2 TYR 446 2.848 -1.429 -1.322
103 HB3 TYR 446 HB1 TYR 446 3.714 -2.943 -1.144
104 HD1 TYR 446 HD1 TYR 446 0.439 -1.666 -2.502
105 HD2 TYR 446 HD2 TYR 446 3.641 -4.452 -2.871
106 HE1 TYR 446 HE1 TYR 446 -0.454 -2.402 -4.658
107 HE2 TYR 446 HE2 TYR 446 2.723 -5.220 -5.018
108 HH TYR 446 HH TYR 446 0.764 -5.199 -6.329
109 H TYR 447 HN TYR 447 1.848 -0.495 1.086
110 HA TYR 447 HA TYR 447 -1.058 -0.397 1.100
111 HB2 TYR 447 HB2 TYR 447 1.075 1.328 2.354
112 HB3 TYR 447 HB1 TYR 447 -0.616 1.811 2.330
113 HD1 TYR 447 HD1 TYR 447 0.175 -1.733 2.678
114 HD2 TYR 447 HD2 TYR 447 -0.605 1.884 4.778
115 HE1 TYR 447 HE1 TYR 447 -0.239 -3.025 4.728
116 HE2 TYR 447 HE2 TYR 447 -1.026 0.600 6.836
117 HH TYR 447 HH TYR 447 -1.800 -1.778 7.376
118 H TYR 448 HN TYR 448 -1.738 0.027 -0.923
119 HA TYR 448 HA TYR 448 -0.390 2.096 -2.458
120 HB2 TYR 448 HB2 TYR 448 -1.308 -0.183 -3.365
121 HB3 TYR 448 HB1 TYR 448 -2.855 0.659 -3.395
122 HD1 TYR 448 HD2 TYR 448 0.569 0.631 -4.751
123 HD2 TYR 448 HD1 TYR 448 -3.331 2.301 -5.079
124 HE1 TYR 448 HE2 TYR 448 1.181 1.627 -6.912
125 HE2 TYR 448 HE1 TYR 448 -2.726 3.299 -7.244
126 HH TYR 448 HH TYR 448 0.121 2.433 -8.935
127 H ASN 449 HN ASN 449 -0.987 4.093 -2.416
128 HA ASN 449 HA ASN 449 -3.461 4.827 -1.052
129 HB2 ASN 449 HB2 ASN 449 -1.367 5.838 -0.275
130 HB3 ASN 449 HB1 ASN 449 -1.076 6.492 -1.884
131 HD21 ASN 449 HD21 ASN 449 -1.004 8.585 -1.012
132 HD22 ASN 449 HD22 ASN 449 -2.443 9.410 -0.523
133 H ASN 450 HN ASN 450 -5.175 5.562 -2.100
134 HA ASN 450 HA ASN 450 -5.054 5.991 -4.957
135 HB2 ASN 450 HB2 ASN 450 -6.968 4.824 -3.828
136 HB3 ASN 450 HB1 ASN 450 -7.415 6.360 -3.095
137 HD21 ASN 450 HD21 ASN 450 -6.152 5.987 -6.340
138 HD22 ASN 450 HD22 ASN 450 -7.603 6.451 -7.161
139 H ARG 451 HN ARG 451 -4.607 7.886 -2.207
140 HA ARG 451 HA ARG 451 -5.729 10.323 -3.167
141 HB2 ARG 451 HB2 ARG 451 -5.394 9.927 -0.778
142 HB3 ARG 451 HB1 ARG 451 -3.654 9.887 -1.027
143 HG2 ARG 451 HG2 ARG 451 -3.627 12.208 -1.636
144 HG3 ARG 451 HG1 ARG 451 -5.391 12.279 -1.608
145 HD2 ARG 451 HD2 ARG 451 -3.602 11.722 0.757
146 HD3 ARG 451 HD1 ARG 451 -4.435 13.241 0.423
147 HE ARG 451 HE ARG 451 -6.533 11.778 0.560
148 HH11 ARG 451 HH11 ARG 451 -3.638 11.303 2.489
149 HH12 ARG 451 HH12 ARG 451 -4.490 10.481 3.763
150 HH21 ARG 451 HH21 ARG 451 -7.643 10.744 2.256
151 HH22 ARG 451 HH22 ARG 451 -6.753 10.175 3.643
152 H THR 452 HN THR 452 -2.483 8.935 -3.173
153 HA THR 452 HA THR 452 -1.646 11.114 -4.969
154 HB THR 452 HB THR 452 0.695 10.640 -4.107
155 HG1 THR 452 HG1 THR 452 0.936 9.256 -2.514
156 HG21 THR 452 HG21 THR 452 0.402 12.036 -2.120
157 HG22 THR 452 HG22 THR 452 -1.332 11.719 -2.145
158 HG23 THR 452 HG23 THR 452 -0.584 12.628 -3.456
159 H ALA 453 HN ALA 453 -2.439 7.958 -4.996
160 HA ALA 453 HA ALA 453 -1.962 6.124 -6.246
161 HB1 ALA 453 HB1 ALA 453 -0.687 8.134 -8.107
162 HB2 ALA 453 HB2 ALA 453 -2.387 7.665 -8.101
163 HB3 ALA 453 HB3 ALA 453 -1.147 6.483 -8.522
164 H GLU 454 HN GLU 454 -0.301 6.453 -4.164
165 HA GLU 454 HA GLU 454 2.428 5.993 -5.173
166 HB2 GLU 454 HB2 GLU 454 1.366 7.374 -2.748
167 HB3 GLU 454 HB1 GLU 454 2.947 6.612 -2.670
168 HG2 GLU 454 HG2 GLU 454 2.192 8.625 -4.766
169 HG3 GLU 454 HG1 GLU 454 2.940 9.051 -3.228
170 H SER 455 HN SER 455 3.582 4.255 -4.452
171 HA SER 455 HA SER 455 2.158 2.248 -2.904
172 HB2 SER 455 HB2 SER 455 4.193 0.849 -3.389
173 HB3 SER 455 HB1 SER 455 3.355 1.424 -4.831
174 HG SER 455 HG SER 455 5.442 2.965 -3.762
175 H THR 456 HN THR 456 2.084 2.801 -0.845
176 HA THR 456 HA THR 456 4.393 3.852 0.571
177 HB THR 456 HB THR 456 1.576 3.214 1.496
178 HG1 THR 456 HG1 THR 456 2.755 5.766 0.998
179 HG21 THR 456 HG21 THR 456 2.077 4.553 3.460
180 HG22 THR 456 HG22 THR 456 3.727 4.809 2.888
181 HG23 THR 456 HG23 THR 456 3.191 3.191 3.346
182 H TRP 457 HN TRP 457 5.713 2.615 1.827
183 HA TRP 457 HA TRP 457 4.887 -0.177 2.306
184 HB2 TRP 457 HB2 TRP 457 7.670 0.941 1.898
185 HB3 TRP 457 HB1 TRP 457 7.311 -0.734 2.305
186 HD1 TRP 457 HD1 TRP 457 7.096 1.758 -0.585
187 HE1 TRP 457 HE1 TRP 457 6.697 0.460 -2.770
188 HE3 TRP 457 HE3 TRP 457 6.347 -2.900 1.382
189 HZ2 TRP 457 HZ2 TRP 457 6.115 -2.190 -3.545
190 HZ3 TRP 457 HZ3 TRP 457 5.877 -4.766 -0.154
191 HH2 TRP 457 HH2 TRP 457 5.772 -4.415 -2.567
192 H GLU 458 HN GLU 458 5.337 2.701 3.796
193 HA GLU 458 HA GLU 458 6.359 1.572 6.295
194 HB2 GLU 458 HB2 GLU 458 5.906 4.439 5.438
195 HB3 GLU 458 HB1 GLU 458 6.481 3.960 7.026
196 HG2 GLU 458 HG2 GLU 458 8.361 4.653 5.766
197 HG3 GLU 458 HG1 GLU 458 8.446 2.900 5.918
198 H LYS 459 HN LYS 459 5.175 1.634 8.192
199 HA LYS 459 HA LYS 459 2.302 1.955 7.932
200 HB2 LYS 459 HB2 LYS 459 3.364 0.108 9.270
201 HB3 LYS 459 HB1 LYS 459 3.919 1.327 10.410
202 HG2 LYS 459 HG2 LYS 459 2.011 0.648 11.449
203 HG3 LYS 459 HG1 LYS 459 1.363 1.958 10.463
204 HD2 LYS 459 HD2 LYS 459 -0.106 0.096 10.224
205 HD3 LYS 459 HD1 LYS 459 0.804 0.241 8.717
206 HE2 LYS 459 HE2 LYS 459 2.312 -1.527 9.433
207 HE3 LYS 459 HE1 LYS 459 1.470 -1.645 10.977
208 HZ1 LYS 459 HZ1 LYS 459 -0.562 -2.209 9.650
209 HZ2 LYS 459 HZ2 LYS 459 0.664 -3.376 9.629
210 HZ3 LYS 459 HZ3 LYS 459 0.439 -2.359 8.290
211 HA PRO 460 HA PRO 460 2.924 6.281 9.230
212 HB2 PRO 460 HB2 PRO 460 0.037 6.517 8.792
213 HB3 PRO 460 HB1 PRO 460 1.360 7.383 8.010
214 HG2 PRO 460 HG2 PRO 460 -0.127 5.532 6.725
215 HG3 PRO 460 HG1 PRO 460 1.583 5.814 6.354
216 HD2 PRO 460 HD2 PRO 460 0.325 3.625 7.956
217 HD3 PRO 460 HD1 PRO 460 1.687 3.561 6.816
Start of MODEL 14
1 H SER 433 HT1 SER 433 -10.616 3.493 5.396
2 HA SER 433 HA SER 433 -9.902 1.488 4.452
3 HB2 SER 433 HB2 SER 433 -12.301 1.719 2.616
4 HB3 SER 433 HB1 SER 433 -11.108 0.420 2.603
5 HG SER 433 HG SER 433 -11.826 0.340 5.013
6 H GLU 434 HN GLU 434 -9.460 4.324 4.110
7 HA GLU 434 HA GLU 434 -9.130 4.967 1.363
8 HB2 GLU 434 HB2 GLU 434 -7.728 6.184 3.756
9 HB3 GLU 434 HB1 GLU 434 -7.826 6.883 2.149
10 HG2 GLU 434 HG2 GLU 434 -9.383 8.046 3.456
11 HG3 GLU 434 HG1 GLU 434 -10.331 6.943 2.461
12 H TRP 435 HN TRP 435 -7.260 3.239 3.687
13 HA TRP 435 HA TRP 435 -4.885 3.300 1.978
14 HB2 TRP 435 HB2 TRP 435 -5.281 2.223 4.781
15 HB3 TRP 435 HB1 TRP 435 -3.753 2.218 3.901
16 HD1 TRP 435 HD1 TRP 435 -5.327 4.152 6.488
17 HE1 TRP 435 HE1 TRP 435 -4.454 6.583 6.554
18 HE3 TRP 435 HE3 TRP 435 -3.064 4.336 1.921
19 HZ2 TRP 435 HZ2 TRP 435 -3.006 8.330 4.894
20 HZ3 TRP 435 HZ3 TRP 435 -1.969 6.419 1.230
21 HH2 TRP 435 HH2 TRP 435 -1.943 8.376 2.680
22 H THR 436 HN THR 436 -4.502 1.702 0.607
23 HA THR 436 HA THR 436 -6.031 -0.773 0.850
24 HB THR 436 HB THR 436 -4.278 0.235 -1.400
25 HG1 THR 436 HG1 THR 436 -6.993 0.471 -0.774
26 HG21 THR 436 HG21 THR 436 -4.348 -2.220 -1.340
27 HG22 THR 436 HG22 THR 436 -5.248 -1.594 -2.722
28 HG23 THR 436 HG23 THR 436 -6.113 -2.172 -1.299
29 H GLU 437 HN GLU 437 -5.105 -2.303 2.076
30 HA GLU 437 HA GLU 437 -2.222 -2.682 2.007
31 HB2 GLU 437 HB2 GLU 437 -2.791 -4.615 3.583
32 HB3 GLU 437 HB1 GLU 437 -3.124 -2.996 4.183
33 HG2 GLU 437 HG2 GLU 437 -5.469 -3.250 3.730
34 HG3 GLU 437 HG1 GLU 437 -5.190 -4.797 2.934
35 H ARG 438 HN ARG 438 -1.426 -3.727 0.240
36 HA ARG 438 HA ARG 438 -3.340 -5.441 -1.166
37 HB2 ARG 438 HB2 ARG 438 -1.776 -3.456 -2.186
38 HB3 ARG 438 HB1 ARG 438 -0.751 -4.863 -2.454
39 HG2 ARG 438 HG2 ARG 438 -2.577 -5.997 -3.618
40 HG3 ARG 438 HG1 ARG 438 -3.602 -4.582 -3.380
41 HD2 ARG 438 HD2 ARG 438 -2.082 -3.239 -4.713
42 HD3 ARG 438 HD1 ARG 438 -1.007 -4.622 -4.913
43 HE ARG 438 HE ARG 438 -3.711 -5.075 -5.816
44 HH11 ARG 438 HH11 ARG 438 -0.487 -4.024 -6.702
45 HH12 ARG 438 HH12 ARG 438 -0.764 -4.201 -8.410
46 HH21 ARG 438 HH21 ARG 438 -4.058 -5.340 -8.062
47 HH22 ARG 438 HH22 ARG 438 -2.780 -4.951 -9.173
48 H LYS 439 HN LYS 439 -3.234 -7.492 -0.719
49 HA LYS 439 HA LYS 439 -0.736 -8.622 0.218
50 HB2 LYS 439 HB2 LYS 439 -2.134 -10.699 0.589
51 HB3 LYS 439 HB1 LYS 439 -2.532 -9.303 1.574
52 HG2 LYS 439 HG2 LYS 439 -4.044 -9.929 -0.942
53 HG3 LYS 439 HG1 LYS 439 -4.444 -10.688 0.598
54 HD2 LYS 439 HD2 LYS 439 -4.445 -7.729 -0.008
55 HD3 LYS 439 HD1 LYS 439 -5.859 -8.755 0.237
56 HE2 LYS 439 HE2 LYS 439 -3.743 -8.103 2.283
57 HE3 LYS 439 HE1 LYS 439 -5.379 -7.451 2.233
58 HZ1 LYS 439 HZ1 LYS 439 -4.719 -10.326 2.576
59 HZ2 LYS 439 HZ2 LYS 439 -6.263 -9.630 2.645
60 HZ3 LYS 439 HZ3 LYS 439 -5.117 -9.267 3.839
61 H THR 440 HN THR 440 0.567 -8.860 -1.424
62 HA THR 440 HA THR 440 -0.335 -10.082 -3.904
63 HB THR 440 HB THR 440 2.431 -9.117 -3.134
64 HG1 THR 440 HG1 THR 440 0.548 -7.556 -3.215
65 HG21 THR 440 HG21 THR 440 1.191 -9.715 -5.829
66 HG22 THR 440 HG22 THR 440 2.458 -10.650 -5.034
67 HG23 THR 440 HG23 THR 440 2.785 -9.004 -5.576
68 H ALA 441 HN ALA 441 0.137 -12.125 -4.531
69 HA ALA 441 HA ALA 441 0.669 -14.050 -2.531
70 HB1 ALA 441 HB1 ALA 441 -0.792 -14.444 -4.469
71 HB2 ALA 441 HB2 ALA 441 0.451 -15.683 -4.306
72 HB3 ALA 441 HB3 ALA 441 0.622 -14.418 -5.522
73 H ASP 442 HN ASP 442 2.807 -12.087 -4.002
74 HA ASP 442 HA ASP 442 5.010 -13.908 -4.317
75 HB2 ASP 442 HB2 ASP 442 4.959 -11.935 -5.697
76 HB3 ASP 442 HB1 ASP 442 4.800 -10.891 -4.291
77 H GLY 443 HN GLY 443 3.405 -12.615 -1.715
78 HA2 GLY 443 HA2 GLY 443 3.891 -13.072 0.527
79 HA3 GLY 443 HA1 GLY 443 5.563 -13.383 0.081
80 H LYS 444 HN LYS 444 3.655 -10.519 -0.712
81 HA LYS 444 HA LYS 444 4.932 -9.006 1.394
82 HB2 LYS 444 HB2 LYS 444 5.769 -7.245 -0.139
83 HB3 LYS 444 HB1 LYS 444 6.627 -8.768 -0.293
84 HG2 LYS 444 HG2 LYS 444 5.663 -9.232 -2.369
85 HG3 LYS 444 HG1 LYS 444 4.386 -8.031 -2.146
86 HD2 LYS 444 HD2 LYS 444 6.052 -6.241 -2.243
87 HD3 LYS 444 HD1 LYS 444 7.331 -7.438 -2.452
88 HE2 LYS 444 HE2 LYS 444 5.055 -7.476 -4.362
89 HE3 LYS 444 HE1 LYS 444 6.233 -6.173 -4.506
90 HZ1 LYS 444 HZ1 LYS 444 6.793 -8.081 -5.894
91 HZ2 LYS 444 HZ2 LYS 444 6.902 -9.075 -4.516
92 HZ3 LYS 444 HZ3 LYS 444 7.986 -7.788 -4.724
93 H THR 445 HN THR 445 3.625 -7.566 2.203
94 HA THR 445 HA THR 445 1.195 -6.806 0.721
95 HB THR 445 HB THR 445 1.693 -6.280 3.649
96 HG1 THR 445 HG1 THR 445 1.083 -8.711 2.367
97 HG21 THR 445 HG21 THR 445 -0.819 -6.701 2.022
98 HG22 THR 445 HG22 THR 445 -0.218 -5.162 2.636
99 HG23 THR 445 HG23 THR 445 -0.768 -6.405 3.760
100 H TYR 446 HN TYR 446 0.684 -4.549 0.470
101 HA TYR 446 HA TYR 446 2.579 -2.643 1.547
102 HB2 TYR 446 HB2 TYR 446 2.938 -1.620 -0.759
103 HB3 TYR 446 HB1 TYR 446 3.833 -3.079 -0.377
104 HD1 TYR 446 HD1 TYR 446 0.799 -1.875 -2.207
105 HD2 TYR 446 HD2 TYR 446 3.750 -4.916 -1.784
106 HE1 TYR 446 HE1 TYR 446 0.070 -2.875 -4.324
107 HE2 TYR 446 HE2 TYR 446 3.008 -5.941 -3.888
108 HH TYR 446 HH TYR 446 1.059 -6.002 -5.320
109 H TYR 447 HN TYR 447 1.878 -0.518 1.525
110 HA TYR 447 HA TYR 447 -1.020 -0.325 1.355
111 HB2 TYR 447 HB2 TYR 447 0.918 1.753 2.395
112 HB3 TYR 447 HB1 TYR 447 -0.819 1.674 2.674
113 HD1 TYR 447 HD1 TYR 447 -1.525 -0.775 3.695
114 HD2 TYR 447 HD2 TYR 447 2.211 1.204 4.200
115 HE1 TYR 447 HE1 TYR 447 -1.134 -2.057 5.758
116 HE2 TYR 447 HE2 TYR 447 2.615 -0.080 6.261
117 HH TYR 447 HH TYR 447 0.617 -2.753 7.194
118 H TYR 448 HN TYR 448 -1.760 0.185 -0.579
119 HA TYR 448 HA TYR 448 -0.289 1.994 -2.306
120 HB2 TYR 448 HB2 TYR 448 -1.540 -0.122 -3.069
121 HB3 TYR 448 HB1 TYR 448 -3.017 0.805 -2.828
122 HD1 TYR 448 HD1 TYR 448 -3.496 2.763 -4.268
123 HD2 TYR 448 HD2 TYR 448 -0.123 0.264 -4.940
124 HE1 TYR 448 HE1 TYR 448 -3.271 3.688 -6.536
125 HE2 TYR 448 HE2 TYR 448 0.115 1.183 -7.209
126 HH TYR 448 HH TYR 448 -1.233 2.290 -8.895
127 H ASN 449 HN ASN 449 -0.611 4.096 -2.296
128 HA ASN 449 HA ASN 449 -2.725 5.191 -0.626
129 HB2 ASN 449 HB2 ASN 449 -0.312 5.916 -0.450
130 HB3 ASN 449 HB1 ASN 449 -0.478 6.647 -2.041
131 HD21 ASN 449 HD21 ASN 449 0.118 7.839 0.574
132 HD22 ASN 449 HD22 ASN 449 -1.107 9.030 0.852
133 H ASN 450 HN ASN 450 -4.592 5.590 -1.541
134 HA ASN 450 HA ASN 450 -4.869 5.917 -4.386
135 HB2 ASN 450 HB2 ASN 450 -6.513 4.607 -3.177
136 HB3 ASN 450 HB1 ASN 450 -6.885 5.967 -2.128
137 HD21 ASN 450 HD21 ASN 450 -8.224 7.587 -2.858
138 HD22 ASN 450 HD22 ASN 450 -9.135 7.456 -4.324
139 H ARG 451 HN ARG 451 -4.431 8.009 -1.729
140 HA ARG 451 HA ARG 451 -5.871 10.216 -2.957
141 HB2 ARG 451 HB2 ARG 451 -6.011 9.849 -0.522
142 HB3 ARG 451 HB1 ARG 451 -4.284 10.144 -0.389
143 HG2 ARG 451 HG2 ARG 451 -5.534 12.105 0.279
144 HG3 ARG 451 HG1 ARG 451 -4.620 12.438 -1.191
145 HD2 ARG 451 HD2 ARG 451 -7.495 11.573 -1.285
146 HD3 ARG 451 HD1 ARG 451 -7.053 13.262 -1.053
147 HE ARG 451 HE ARG 451 -5.652 12.557 -3.265
148 HH11 ARG 451 HH11 ARG 451 -9.029 12.182 -2.391
149 HH12 ARG 451 HH12 ARG 451 -9.607 12.418 -4.013
150 HH21 ARG 451 HH21 ARG 451 -6.398 12.846 -5.396
151 HH22 ARG 451 HH22 ARG 451 -8.110 12.761 -5.733
152 H THR 452 HN THR 452 -2.624 9.055 -2.639
153 HA THR 452 HA THR 452 -1.664 11.527 -3.927
154 HB THR 452 HB THR 452 0.153 9.675 -2.409
155 HG1 THR 452 HG1 THR 452 -0.234 11.205 -0.621
156 HG21 THR 452 HG21 THR 452 1.465 11.722 -2.119
157 HG22 THR 452 HG22 THR 452 0.223 12.644 -2.967
158 HG23 THR 452 HG23 THR 452 1.149 11.415 -3.827
159 H ALA 453 HN ALA 453 -2.367 8.354 -4.525
160 HA ALA 453 HA ALA 453 -1.888 6.869 -6.179
161 HB1 ALA 453 HB1 ALA 453 -2.420 8.797 -7.597
162 HB2 ALA 453 HB2 ALA 453 -1.192 7.766 -8.332
163 HB3 ALA 453 HB3 ALA 453 -0.724 9.283 -7.564
164 H GLU 454 HN GLU 454 -0.112 6.746 -4.135
165 HA GLU 454 HA GLU 454 2.438 6.186 -5.483
166 HB2 GLU 454 HB2 GLU 454 3.633 6.989 -3.456
167 HB3 GLU 454 HB1 GLU 454 2.774 8.268 -4.304
168 HG2 GLU 454 HG2 GLU 454 1.048 8.306 -2.674
169 HG3 GLU 454 HG1 GLU 454 1.650 6.837 -1.909
170 H SER 455 HN SER 455 3.624 4.439 -4.623
171 HA SER 455 HA SER 455 2.039 2.632 -2.976
172 HB2 SER 455 HB2 SER 455 3.905 0.995 -3.559
173 HB3 SER 455 HB1 SER 455 2.918 1.560 -4.906
174 HG SER 455 HG SER 455 5.344 2.839 -4.194
175 H THR 456 HN THR 456 2.235 2.917 -0.869
176 HA THR 456 HA THR 456 4.748 3.874 0.270
177 HB THR 456 HB THR 456 2.132 3.394 1.707
178 HG1 THR 456 HG1 THR 456 3.056 5.691 0.282
179 HG21 THR 456 HG21 THR 456 3.001 5.023 3.291
180 HG22 THR 456 HG22 THR 456 4.452 5.231 2.309
181 HG23 THR 456 HG23 THR 456 4.141 3.690 3.108
182 H TRP 457 HN TRP 457 6.139 2.535 1.241
183 HA TRP 457 HA TRP 457 5.220 -0.195 1.859
184 HB2 TRP 457 HB2 TRP 457 7.997 0.781 1.135
185 HB3 TRP 457 HB1 TRP 457 7.561 -0.890 1.487
186 HD1 TRP 457 HD1 TRP 457 6.798 1.857 -1.130
187 HE1 TRP 457 HE1 TRP 457 6.133 0.710 -3.333
188 HE3 TRP 457 HE3 TRP 457 6.870 -3.008 0.437
189 HZ2 TRP 457 HZ2 TRP 457 5.692 -1.903 -4.278
190 HZ3 TRP 457 HZ3 TRP 457 6.325 -4.776 -1.185
191 HH2 TRP 457 HH2 TRP 457 5.756 -4.235 -3.498
192 H GLU 458 HN GLU 458 6.088 2.665 3.238
193 HA GLU 458 HA GLU 458 7.101 1.428 5.703
194 HB2 GLU 458 HB2 GLU 458 8.406 3.312 4.657
195 HB3 GLU 458 HB1 GLU 458 7.021 4.359 4.934
196 HG2 GLU 458 HG2 GLU 458 8.763 4.632 6.631
197 HG3 GLU 458 HG1 GLU 458 7.238 4.082 7.323
198 H LYS 459 HN LYS 459 6.055 1.912 7.695
199 HA LYS 459 HA LYS 459 3.240 1.990 7.584
200 HB2 LYS 459 HB2 LYS 459 4.311 0.887 9.410
201 HB3 LYS 459 HB1 LYS 459 5.177 2.348 9.864
202 HG2 LYS 459 HG2 LYS 459 3.338 1.836 11.394
203 HG3 LYS 459 HG1 LYS 459 3.120 3.387 10.589
204 HD2 LYS 459 HD2 LYS 459 1.019 2.170 10.692
205 HD3 LYS 459 HD1 LYS 459 1.552 2.352 9.022
206 HE2 LYS 459 HE2 LYS 459 2.399 0.066 9.033
207 HE3 LYS 459 HE1 LYS 459 1.901 -0.120 10.715
208 HZ1 LYS 459 HZ1 LYS 459 0.325 -1.053 9.030
209 HZ2 LYS 459 HZ2 LYS 459 0.011 0.531 8.525
210 HZ3 LYS 459 HZ3 LYS 459 -0.371 0.063 10.102
211 HA PRO 460 HA PRO 460 2.843 6.475 7.021
212 HB2 PRO 460 HB2 PRO 460 -0.025 5.834 7.271
213 HB3 PRO 460 HB1 PRO 460 0.836 6.656 5.966
214 HG2 PRO 460 HG2 PRO 460 -0.117 4.164 5.698
215 HG3 PRO 460 HG1 PRO 460 1.379 4.692 4.909
216 HD2 PRO 460 HD2 PRO 460 1.013 2.996 7.342
217 HD3 PRO 460 HD1 PRO 460 2.226 2.890 6.047
Start of MODEL 15
1 H SER 433 HT1 SER 433 -12.545 2.332 3.072
2 HA SER 433 HA SER 433 -10.325 2.779 3.756
3 HB2 SER 433 HB2 SER 433 -10.304 0.822 1.450
4 HB3 SER 433 HB1 SER 433 -9.281 0.784 2.886
5 HG SER 433 HG SER 433 -11.268 -0.623 2.775
6 H GLU 434 HN GLU 434 -8.914 4.352 3.441
7 HA GLU 434 HA GLU 434 -8.160 5.173 0.748
8 HB2 GLU 434 HB2 GLU 434 -8.621 6.953 2.307
9 HB3 GLU 434 HB1 GLU 434 -7.528 6.261 3.495
10 HG2 GLU 434 HG2 GLU 434 -6.535 8.199 2.463
11 HG3 GLU 434 HG1 GLU 434 -5.634 6.746 2.039
12 H TRP 435 HN TRP 435 -6.869 3.607 3.596
13 HA TRP 435 HA TRP 435 -4.276 3.271 2.301
14 HB2 TRP 435 HB2 TRP 435 -5.143 2.402 5.070
15 HB3 TRP 435 HB1 TRP 435 -3.496 2.416 4.444
16 HD1 TRP 435 HD1 TRP 435 -4.919 4.155 6.971
17 HE1 TRP 435 HE1 TRP 435 -4.390 6.673 7.047
18 HE3 TRP 435 HE3 TRP 435 -3.362 4.793 2.154
19 HZ2 TRP 435 HZ2 TRP 435 -3.449 8.673 5.280
20 HZ3 TRP 435 HZ3 TRP 435 -2.663 7.023 1.426
21 HH2 TRP 435 HH2 TRP 435 -2.710 8.929 2.948
22 H THR 436 HN THR 436 -4.392 1.748 0.798
23 HA THR 436 HA THR 436 -5.932 -0.681 1.253
24 HB THR 436 HB THR 436 -4.282 0.174 -1.136
25 HG1 THR 436 HG1 THR 436 -6.004 1.536 -1.027
26 HG21 THR 436 HG21 THR 436 -5.488 -1.592 -2.344
27 HG22 THR 436 HG22 THR 436 -6.285 -2.073 -0.847
28 HG23 THR 436 HG23 THR 436 -4.536 -2.261 -1.015
29 H GLU 437 HN GLU 437 -5.013 -2.418 2.175
30 HA GLU 437 HA GLU 437 -2.123 -2.683 2.074
31 HB2 GLU 437 HB2 GLU 437 -2.809 -4.887 3.406
32 HB3 GLU 437 HB1 GLU 437 -2.656 -3.327 4.195
33 HG2 GLU 437 HG2 GLU 437 -4.638 -4.268 5.021
34 HG3 GLU 437 HG1 GLU 437 -5.148 -3.056 3.849
35 H ARG 438 HN ARG 438 -1.419 -3.358 0.170
36 HA ARG 438 HA ARG 438 -3.128 -5.153 -1.363
37 HB2 ARG 438 HB2 ARG 438 -0.768 -3.429 -2.104
38 HB3 ARG 438 HB1 ARG 438 -1.361 -4.694 -3.183
39 HG2 ARG 438 HG2 ARG 438 -3.558 -3.649 -3.225
40 HG3 ARG 438 HG1 ARG 438 -2.990 -2.398 -2.121
41 HD2 ARG 438 HD2 ARG 438 -3.027 -1.630 -4.446
42 HD3 ARG 438 HD1 ARG 438 -1.399 -1.625 -3.774
43 HE ARG 438 HE ARG 438 -1.209 -3.875 -4.982
44 HH11 ARG 438 HH11 ARG 438 -3.160 -1.193 -6.123
45 HH12 ARG 438 HH12 ARG 438 -2.966 -1.607 -7.803
46 HH21 ARG 438 HH21 ARG 438 -0.944 -4.407 -7.184
47 HH22 ARG 438 HH22 ARG 438 -1.710 -3.441 -8.405
48 H LYS 439 HN LYS 439 -2.897 -7.105 -0.518
49 HA LYS 439 HA LYS 439 -0.252 -8.163 -0.013
50 HB2 LYS 439 HB2 LYS 439 -1.471 -10.166 0.861
51 HB3 LYS 439 HB1 LYS 439 -1.801 -8.671 1.716
52 HG2 LYS 439 HG2 LYS 439 -3.627 -9.699 -0.429
53 HG3 LYS 439 HG1 LYS 439 -3.750 -10.241 1.245
54 HD2 LYS 439 HD2 LYS 439 -4.010 -7.874 1.939
55 HD3 LYS 439 HD1 LYS 439 -4.004 -7.408 0.238
56 HE2 LYS 439 HE2 LYS 439 -5.993 -8.773 -0.146
57 HE3 LYS 439 HE1 LYS 439 -6.001 -9.246 1.552
58 HZ1 LYS 439 HZ1 LYS 439 -7.528 -7.512 1.409
59 HZ2 LYS 439 HZ2 LYS 439 -6.553 -6.590 0.381
60 HZ3 LYS 439 HZ3 LYS 439 -6.134 -6.760 2.016
61 H THR 440 HN THR 440 0.719 -8.573 -1.820
62 HA THR 440 HA THR 440 -0.568 -10.102 -3.927
63 HB THR 440 HB THR 440 1.651 -9.891 -5.072
64 HG1 THR 440 HG1 THR 440 2.270 -8.296 -2.781
65 HG21 THR 440 HG21 THR 440 0.427 -7.308 -4.097
66 HG22 THR 440 HG22 THR 440 -0.117 -8.256 -5.482
67 HG23 THR 440 HG23 THR 440 1.469 -7.484 -5.509
68 H ALA 441 HN ALA 441 0.175 -12.135 -4.668
69 HA ALA 441 HA ALA 441 0.733 -13.983 -2.596
70 HB1 ALA 441 HB1 ALA 441 -0.586 -14.558 -4.579
71 HB2 ALA 441 HB2 ALA 441 0.766 -15.665 -4.349
72 HB3 ALA 441 HB3 ALA 441 0.858 -14.404 -5.579
73 H ASP 442 HN ASP 442 2.756 -11.956 -4.321
74 HA ASP 442 HA ASP 442 5.148 -13.458 -4.394
75 HB2 ASP 442 HB2 ASP 442 4.812 -11.303 -5.584
76 HB3 ASP 442 HB1 ASP 442 4.788 -10.473 -4.034
77 H GLY 443 HN GLY 443 3.282 -12.316 -1.834
78 HA2 GLY 443 HA2 GLY 443 3.627 -12.881 0.416
79 HA3 GLY 443 HA1 GLY 443 5.330 -13.146 0.066
80 H LYS 444 HN LYS 444 3.441 -10.302 -0.767
81 HA LYS 444 HA LYS 444 4.707 -8.761 1.338
82 HB2 LYS 444 HB2 LYS 444 5.503 -7.054 -0.373
83 HB3 LYS 444 HB1 LYS 444 6.436 -8.536 -0.245
84 HG2 LYS 444 HG2 LYS 444 6.053 -9.075 -2.367
85 HG3 LYS 444 HG1 LYS 444 4.327 -8.736 -2.225
86 HD2 LYS 444 HD2 LYS 444 4.701 -6.389 -2.586
87 HD3 LYS 444 HD1 LYS 444 6.448 -6.619 -2.546
88 HE2 LYS 444 HE2 LYS 444 4.704 -7.989 -4.567
89 HE3 LYS 444 HE1 LYS 444 5.356 -6.373 -4.835
90 HZ1 LYS 444 HZ1 LYS 444 6.975 -8.811 -4.294
91 HZ2 LYS 444 HZ2 LYS 444 7.581 -7.250 -4.585
92 HZ3 LYS 444 HZ3 LYS 444 6.761 -8.080 -5.811
93 H THR 445 HN THR 445 3.231 -7.497 2.161
94 HA THR 445 HA THR 445 1.094 -6.459 0.448
95 HB THR 445 HB THR 445 0.416 -7.684 2.544
96 HG1 THR 445 HG1 THR 445 -1.254 -6.321 2.839
97 HG21 THR 445 HG21 THR 445 0.625 -6.524 4.690
98 HG22 THR 445 HG22 THR 445 1.600 -5.271 3.923
99 HG23 THR 445 HG23 THR 445 2.210 -6.924 4.026
100 H TYR 446 HN TYR 446 0.653 -4.234 0.416
101 HA TYR 446 HA TYR 446 2.538 -2.450 1.705
102 HB2 TYR 446 HB2 TYR 446 3.023 -1.336 -0.533
103 HB3 TYR 446 HB1 TYR 446 3.841 -2.858 -0.216
104 HD1 TYR 446 HD1 TYR 446 1.253 -1.195 -2.232
105 HD2 TYR 446 HD2 TYR 446 3.347 -4.829 -1.533
106 HE1 TYR 446 HE1 TYR 446 0.495 -2.039 -4.402
107 HE2 TYR 446 HE2 TYR 446 2.574 -5.695 -3.702
108 HH TYR 446 HH TYR 446 1.389 -3.813 -6.105
109 H TYR 447 HN TYR 447 1.788 -0.329 1.841
110 HA TYR 447 HA TYR 447 -1.108 -0.264 1.586
111 HB2 TYR 447 HB2 TYR 447 0.549 1.879 2.910
112 HB3 TYR 447 HB1 TYR 447 -1.126 1.427 3.218
113 HD1 TYR 447 HD1 TYR 447 -0.922 -1.498 3.512
114 HD2 TYR 447 HD2 TYR 447 1.622 1.584 4.973
115 HE1 TYR 447 HE1 TYR 447 -0.190 -2.979 5.332
116 HE2 TYR 447 HE2 TYR 447 2.359 0.111 6.799
117 HH TYR 447 HH TYR 447 1.288 -1.963 8.049
118 H TYR 448 HN TYR 448 -1.682 0.281 -0.388
119 HA TYR 448 HA TYR 448 -0.230 2.334 -1.838
120 HB2 TYR 448 HB2 TYR 448 -1.219 0.068 -2.757
121 HB3 TYR 448 HB1 TYR 448 -2.703 1.007 -2.889
122 HD1 TYR 448 HD1 TYR 448 -2.861 2.862 -4.469
123 HD2 TYR 448 HD2 TYR 448 0.666 0.509 -4.186
124 HE1 TYR 448 HE1 TYR 448 -2.085 3.778 -6.614
125 HE2 TYR 448 HE2 TYR 448 1.456 1.417 -6.327
126 HH TYR 448 HH TYR 448 0.148 4.138 -7.754
127 H ASN 449 HN ASN 449 -0.818 4.351 -1.945
128 HA ASN 449 HA ASN 449 -3.235 5.231 -0.577
129 HB2 ASN 449 HB2 ASN 449 -1.004 6.864 -1.829
130 HB3 ASN 449 HB1 ASN 449 -2.276 7.479 -0.786
131 HD21 ASN 449 HD21 ASN 449 -0.745 8.323 0.616
132 HD22 ASN 449 HD22 ASN 449 0.149 7.325 1.707
133 H ASN 450 HN ASN 450 -5.069 5.543 -1.731
134 HA ASN 450 HA ASN 450 -4.880 5.732 -4.615
135 HB2 ASN 450 HB2 ASN 450 -7.375 5.746 -4.571
136 HB3 ASN 450 HB1 ASN 450 -6.658 4.347 -3.783
137 HD21 ASN 450 HD21 ASN 450 -8.290 7.387 -3.269
138 HD22 ASN 450 HD22 ASN 450 -8.778 7.076 -1.643
139 H ARG 451 HN ARG 451 -5.011 7.895 -1.999
140 HA ARG 451 HA ARG 451 -6.153 10.156 -3.145
141 HB2 ARG 451 HB2 ARG 451 -3.977 9.741 -1.143
142 HB3 ARG 451 HB1 ARG 451 -4.246 11.359 -1.777
143 HG2 ARG 451 HG2 ARG 451 -6.525 11.328 -0.987
144 HG3 ARG 451 HG1 ARG 451 -6.337 9.662 -0.437
145 HD2 ARG 451 HD2 ARG 451 -6.137 11.264 1.407
146 HD3 ARG 451 HD1 ARG 451 -4.650 10.351 1.161
147 HE ARG 451 HE ARG 451 -4.475 12.738 -0.300
148 HH11 ARG 451 HH11 ARG 451 -4.600 11.712 3.049
149 HH12 ARG 451 HH12 ARG 451 -3.624 13.030 3.618
150 HH21 ARG 451 HH21 ARG 451 -3.219 14.472 0.451
151 HH22 ARG 451 HH22 ARG 451 -2.848 14.598 2.148
152 H THR 452 HN THR 452 -2.715 9.223 -3.229
153 HA THR 452 HA THR 452 -2.365 11.086 -5.477
154 HB THR 452 HB THR 452 0.130 10.837 -4.727
155 HG1 THR 452 HG1 THR 452 0.415 10.163 -2.656
156 HG21 THR 452 HG21 THR 452 -1.891 12.378 -3.086
157 HG22 THR 452 HG22 THR 452 -1.159 12.917 -4.599
158 HG23 THR 452 HG23 THR 452 -0.160 12.710 -3.160
159 H ALA 453 HN ALA 453 -2.672 7.882 -4.854
160 HA ALA 453 HA ALA 453 -2.327 5.994 -6.054
161 HB1 ALA 453 HB1 ALA 453 -1.738 6.142 -8.412
162 HB2 ALA 453 HB2 ALA 453 -1.293 7.837 -8.207
163 HB3 ALA 453 HB3 ALA 453 -2.970 7.334 -7.997
164 H GLU 454 HN GLU 454 -0.368 6.867 -4.211
165 HA GLU 454 HA GLU 454 2.148 5.966 -5.453
166 HB2 GLU 454 HB2 GLU 454 3.310 7.109 -3.624
167 HB3 GLU 454 HB1 GLU 454 2.266 8.225 -4.493
168 HG2 GLU 454 HG2 GLU 454 0.590 8.047 -2.739
169 HG3 GLU 454 HG1 GLU 454 1.608 6.902 -1.869
170 H SER 455 HN SER 455 3.397 4.375 -4.393
171 HA SER 455 HA SER 455 1.834 2.659 -2.614
172 HB2 SER 455 HB2 SER 455 2.931 1.681 -4.630
173 HB3 SER 455 HB1 SER 455 4.498 2.106 -3.941
174 HG SER 455 HG SER 455 4.337 0.510 -2.540
175 H THR 456 HN THR 456 2.111 2.733 -0.503
176 HA THR 456 HA THR 456 4.574 3.894 0.585
177 HB THR 456 HB THR 456 1.949 3.379 2.005
178 HG1 THR 456 HG1 THR 456 1.322 5.063 0.868
179 HG21 THR 456 HG21 THR 456 3.872 3.539 3.506
180 HG22 THR 456 HG22 THR 456 2.829 4.951 3.672
181 HG23 THR 456 HG23 THR 456 4.336 5.068 2.764
182 H TRP 457 HN TRP 457 6.061 2.516 1.264
183 HA TRP 457 HA TRP 457 5.261 -0.190 2.090
184 HB2 TRP 457 HB2 TRP 457 7.964 0.898 1.250
185 HB3 TRP 457 HB1 TRP 457 7.642 -0.773 1.708
186 HD1 TRP 457 HD1 TRP 457 6.850 1.758 -1.096
187 HE1 TRP 457 HE1 TRP 457 6.196 0.436 -3.217
188 HE3 TRP 457 HE3 TRP 457 6.808 -2.967 0.871
189 HZ2 TRP 457 HZ2 TRP 457 5.704 -2.239 -3.933
190 HZ3 TRP 457 HZ3 TRP 457 6.241 -4.851 -0.605
191 HH2 TRP 457 HH2 TRP 457 5.704 -4.493 -2.959
192 H GLU 458 HN GLU 458 6.055 2.755 3.307
193 HA GLU 458 HA GLU 458 7.466 1.821 5.668
194 HB2 GLU 458 HB2 GLU 458 8.071 3.949 4.534
195 HB3 GLU 458 HB1 GLU 458 6.478 4.581 4.925
196 HG2 GLU 458 HG2 GLU 458 6.956 4.581 7.247
197 HG3 GLU 458 HG1 GLU 458 8.449 3.673 7.002
198 H LYS 459 HN LYS 459 6.480 1.364 7.553
199 HA LYS 459 HA LYS 459 3.617 1.388 7.676
200 HB2 LYS 459 HB2 LYS 459 5.712 0.585 9.697
201 HB3 LYS 459 HB1 LYS 459 3.983 0.438 9.974
202 HG2 LYS 459 HG2 LYS 459 3.790 -1.103 8.103
203 HG3 LYS 459 HG1 LYS 459 5.512 -0.921 7.761
204 HD2 LYS 459 HD2 LYS 459 6.063 -1.880 9.925
205 HD3 LYS 459 HD1 LYS 459 4.348 -2.006 10.329
206 HE2 LYS 459 HE2 LYS 459 5.696 -3.411 8.022
207 HE3 LYS 459 HE1 LYS 459 5.333 -4.150 9.582
208 HZ1 LYS 459 HZ1 LYS 459 3.361 -3.088 7.628
209 HZ2 LYS 459 HZ2 LYS 459 2.966 -3.665 9.167
210 HZ3 LYS 459 HZ3 LYS 459 3.625 -4.719 8.012
211 HA PRO 460 HA PRO 460 3.521 5.470 9.484
212 HB2 PRO 460 HB2 PRO 460 0.860 5.813 9.286
213 HB3 PRO 460 HB1 PRO 460 1.921 5.908 7.877
214 HG2 PRO 460 HG2 PRO 460 0.165 3.669 8.781
215 HG3 PRO 460 HG1 PRO 460 0.475 4.260 7.139
216 HD2 PRO 460 HD2 PRO 460 1.674 2.048 8.256
217 HD3 PRO 460 HD1 PRO 460 2.356 2.994 6.920
Start of MODEL 16
1 H SER 433 HT1 SER 433 -11.058 4.313 5.485
2 HA SER 433 HA SER 433 -9.750 2.605 4.324
3 HB2 SER 433 HB2 SER 433 -11.366 2.608 2.274
4 HB3 SER 433 HB1 SER 433 -12.055 2.499 3.894
5 HG SER 433 HG SER 433 -12.284 4.485 2.009
6 H GLU 434 HN GLU 434 -8.249 5.139 4.008
7 HA GLU 434 HA GLU 434 -8.014 5.650 1.187
8 HB2 GLU 434 HB2 GLU 434 -6.009 6.699 3.124
9 HB3 GLU 434 HB1 GLU 434 -6.780 7.503 1.766
10 HG2 GLU 434 HG2 GLU 434 -7.989 6.940 4.463
11 HG3 GLU 434 HG1 GLU 434 -7.497 8.507 3.826
12 H TRP 435 HN TRP 435 -6.712 3.350 3.226
13 HA TRP 435 HA TRP 435 -4.264 3.117 1.610
14 HB2 TRP 435 HB2 TRP 435 -4.399 2.111 4.440
15 HB3 TRP 435 HB1 TRP 435 -2.990 2.598 3.501
16 HD1 TRP 435 HD1 TRP 435 -5.308 3.852 6.103
17 HE1 TRP 435 HE1 TRP 435 -4.975 6.374 6.499
18 HE3 TRP 435 HE3 TRP 435 -2.365 4.919 2.065
19 HZ2 TRP 435 HZ2 TRP 435 -3.651 8.536 5.245
20 HZ3 TRP 435 HZ3 TRP 435 -1.616 7.237 1.730
21 HH2 TRP 435 HH2 TRP 435 -2.256 9.011 3.272
22 H THR 436 HN THR 436 -4.584 1.464 0.261
23 HA THR 436 HA THR 436 -6.100 -0.869 1.123
24 HB THR 436 HB THR 436 -4.865 -0.103 -1.528
25 HG1 THR 436 HG1 THR 436 -7.294 0.222 -0.362
26 HG21 THR 436 HG21 THR 436 -5.836 -2.154 -2.472
27 HG22 THR 436 HG22 THR 436 -6.346 -2.662 -0.863
28 HG23 THR 436 HG23 THR 436 -4.626 -2.537 -1.243
29 H GLU 437 HN GLU 437 -5.171 -2.649 1.904
30 HA GLU 437 HA GLU 437 -2.287 -2.941 1.722
31 HB2 GLU 437 HB2 GLU 437 -2.648 -4.923 3.202
32 HB3 GLU 437 HB1 GLU 437 -3.243 -3.419 3.888
33 HG2 GLU 437 HG2 GLU 437 -5.511 -4.011 3.324
34 HG3 GLU 437 HG1 GLU 437 -4.958 -5.470 2.506
35 H ARG 438 HN ARG 438 -1.540 -3.754 -0.129
36 HA ARG 438 HA ARG 438 -3.289 -5.596 -1.586
37 HB2 ARG 438 HB2 ARG 438 -0.850 -4.058 -2.522
38 HB3 ARG 438 HB1 ARG 438 -1.784 -5.174 -3.522
39 HG2 ARG 438 HG2 ARG 438 -3.788 -3.640 -2.853
40 HG3 ARG 438 HG1 ARG 438 -2.514 -2.470 -2.500
41 HD2 ARG 438 HD2 ARG 438 -3.218 -2.104 -4.748
42 HD3 ARG 438 HD1 ARG 438 -1.629 -2.870 -4.809
43 HE ARG 438 HE ARG 438 -3.833 -4.727 -4.950
44 HH11 ARG 438 HH11 ARG 438 -1.708 -2.648 -6.823
45 HH12 ARG 438 HH12 ARG 438 -1.953 -3.531 -8.297
46 HH21 ARG 438 HH21 ARG 438 -4.157 -5.864 -6.911
47 HH22 ARG 438 HH22 ARG 438 -3.324 -5.340 -8.349
48 H LYS 439 HN LYS 439 -2.992 -7.558 -0.820
49 HA LYS 439 HA LYS 439 -0.333 -8.386 -0.025
50 HB2 LYS 439 HB2 LYS 439 -2.247 -8.853 1.465
51 HB3 LYS 439 HB1 LYS 439 -2.948 -9.870 0.215
52 HG2 LYS 439 HG2 LYS 439 -1.811 -11.165 1.966
53 HG3 LYS 439 HG1 LYS 439 -1.103 -11.416 0.370
54 HD2 LYS 439 HD2 LYS 439 0.693 -9.852 0.912
55 HD3 LYS 439 HD1 LYS 439 -0.026 -9.563 2.498
56 HE2 LYS 439 HE2 LYS 439 0.881 -12.273 1.542
57 HE3 LYS 439 HE1 LYS 439 1.903 -11.174 2.466
58 HZ1 LYS 439 HZ1 LYS 439 0.426 -11.293 4.306
59 HZ2 LYS 439 HZ2 LYS 439 0.741 -12.888 3.813
60 HZ3 LYS 439 HZ3 LYS 439 -0.736 -12.153 3.418
61 H THR 440 HN THR 440 0.818 -8.779 -1.759
62 HA THR 440 HA THR 440 -0.156 -10.570 -3.829
63 HB THR 440 HB THR 440 2.091 -10.276 -4.842
64 HG1 THR 440 HG1 THR 440 2.527 -8.712 -2.495
65 HG21 THR 440 HG21 THR 440 0.726 -7.707 -4.032
66 HG22 THR 440 HG22 THR 440 0.311 -8.717 -5.417
67 HG23 THR 440 HG23 THR 440 1.865 -7.884 -5.367
68 H ALA 441 HN ALA 441 0.787 -12.579 -4.337
69 HA ALA 441 HA ALA 441 1.196 -14.208 -2.044
70 HB1 ALA 441 HB1 ALA 441 -0.025 -14.987 -4.008
71 HB2 ALA 441 HB2 ALA 441 1.329 -16.053 -3.629
72 HB3 ALA 441 HB3 ALA 441 1.455 -14.908 -4.966
73 H ASP 442 HN ASP 442 3.344 -12.239 -3.515
74 HA ASP 442 HA ASP 442 5.691 -13.883 -3.415
75 HB2 ASP 442 HB2 ASP 442 5.602 -11.903 -4.850
76 HB3 ASP 442 HB1 ASP 442 5.349 -10.873 -3.447
77 H GLY 443 HN GLY 443 3.659 -12.677 -1.103
78 HA2 GLY 443 HA2 GLY 443 3.877 -12.995 1.206
79 HA3 GLY 443 HA1 GLY 443 5.615 -13.177 0.994
80 H LYS 444 HN LYS 444 3.803 -10.531 -0.388
81 HA LYS 444 HA LYS 444 4.707 -8.756 1.737
82 HB2 LYS 444 HB2 LYS 444 5.634 -7.132 0.105
83 HB3 LYS 444 HB1 LYS 444 6.552 -8.626 0.203
84 HG2 LYS 444 HG2 LYS 444 5.924 -9.307 -1.907
85 HG3 LYS 444 HG1 LYS 444 4.463 -8.313 -1.908
86 HD2 LYS 444 HD2 LYS 444 5.792 -6.301 -2.135
87 HD3 LYS 444 HD1 LYS 444 7.282 -7.237 -2.014
88 HE2 LYS 444 HE2 LYS 444 5.260 -7.790 -4.160
89 HE3 LYS 444 HE1 LYS 444 6.471 -6.521 -4.349
90 HZ1 LYS 444 HZ1 LYS 444 7.093 -8.735 -5.292
91 HZ2 LYS 444 HZ2 LYS 444 7.159 -9.338 -3.705
92 HZ3 LYS 444 HZ3 LYS 444 8.209 -8.096 -4.184
93 H THR 445 HN THR 445 3.150 -7.464 2.312
94 HA THR 445 HA THR 445 1.088 -6.725 0.359
95 HB THR 445 HB THR 445 0.265 -7.644 2.514
96 HG1 THR 445 HG1 THR 445 -1.253 -6.011 2.847
97 HG21 THR 445 HG21 THR 445 2.035 -6.890 3.998
98 HG22 THR 445 HG22 THR 445 0.477 -6.288 4.564
99 HG23 THR 445 HG23 THR 445 1.586 -5.210 3.715
100 H TYR 446 HN TYR 446 0.595 -4.519 0.004
101 HA TYR 446 HA TYR 446 2.419 -2.583 1.178
102 HB2 TYR 446 HB2 TYR 446 2.876 -1.580 -1.079
103 HB3 TYR 446 HB1 TYR 446 3.658 -3.121 -0.779
104 HD1 TYR 446 HD1 TYR 446 0.802 -1.539 -2.552
105 HD2 TYR 446 HD2 TYR 446 3.345 -4.936 -2.249
106 HE1 TYR 446 HE1 TYR 446 -0.042 -2.353 -4.704
107 HE2 TYR 446 HE2 TYR 446 2.486 -5.773 -4.397
108 HH TYR 446 HH TYR 446 0.618 -5.521 -5.872
109 H TYR 447 HN TYR 447 1.588 -0.531 1.303
110 HA TYR 447 HA TYR 447 -1.306 -0.535 1.053
111 HB2 TYR 447 HB2 TYR 447 0.426 1.561 2.372
112 HB3 TYR 447 HB1 TYR 447 -1.305 1.309 2.589
113 HD1 TYR 447 HD1 TYR 447 -1.679 -1.443 3.138
114 HD2 TYR 447 HD2 TYR 447 1.591 1.027 4.292
115 HE1 TYR 447 HE1 TYR 447 -1.205 -2.962 5.011
116 HE2 TYR 447 HE2 TYR 447 2.068 -0.482 6.178
117 HH TYR 447 HH TYR 447 0.711 -3.576 6.444
118 H TYR 448 HN TYR 448 -1.872 -0.070 -0.968
119 HA TYR 448 HA TYR 448 -0.552 2.086 -2.412
120 HB2 TYR 448 HB2 TYR 448 -1.329 -0.199 -3.393
121 HB3 TYR 448 HB1 TYR 448 -2.929 0.533 -3.412
122 HD1 TYR 448 HD1 TYR 448 -3.360 2.521 -4.860
123 HD2 TYR 448 HD2 TYR 448 0.331 0.405 -4.982
124 HE1 TYR 448 HE1 TYR 448 -2.831 3.575 -7.019
125 HE2 TYR 448 HE2 TYR 448 0.867 1.454 -7.138
126 HH TYR 448 HH TYR 448 -0.823 4.112 -8.365
127 H ASN 449 HN ASN 449 -1.337 4.091 -2.530
128 HA ASN 449 HA ASN 449 -3.983 4.566 -1.326
129 HB2 ASN 449 HB2 ASN 449 -2.394 5.356 0.210
130 HB3 ASN 449 HB1 ASN 449 -1.382 6.041 -1.057
131 HD21 ASN 449 HD21 ASN 449 -4.412 6.388 0.671
132 HD22 ASN 449 HD22 ASN 449 -4.565 8.092 0.400
133 H ASN 450 HN ASN 450 -5.396 5.837 -2.339
134 HA ASN 450 HA ASN 450 -4.772 6.693 -5.042
135 HB2 ASN 450 HB2 ASN 450 -6.845 5.436 -4.571
136 HB3 ASN 450 HB1 ASN 450 -7.386 6.731 -3.513
137 HD21 ASN 450 HD21 ASN 450 -5.769 7.123 -6.627
138 HD22 ASN 450 HD22 ASN 450 -7.107 7.872 -7.415
139 H ARG 451 HN ARG 451 -4.819 8.106 -1.957
140 HA ARG 451 HA ARG 451 -5.896 10.651 -2.633
141 HB2 ARG 451 HB2 ARG 451 -4.195 9.820 -0.294
142 HB3 ARG 451 HB1 ARG 451 -4.938 11.405 -0.468
143 HG2 ARG 451 HG2 ARG 451 -6.364 8.764 -0.236
144 HG3 ARG 451 HG1 ARG 451 -6.275 10.034 0.987
145 HD2 ARG 451 HD2 ARG 451 -7.503 11.548 -0.460
146 HD3 ARG 451 HD1 ARG 451 -7.533 10.333 -1.738
147 HE ARG 451 HE ARG 451 -8.753 9.619 0.823
148 HH11 ARG 451 HH11 ARG 451 -9.182 10.603 -2.529
149 HH12 ARG 451 HH12 ARG 451 -10.866 10.157 -2.555
150 HH21 ARG 451 HH21 ARG 451 -10.934 9.043 0.767
151 HH22 ARG 451 HH22 ARG 451 -11.859 9.288 -0.687
152 H THR 452 HN THR 452 -2.612 9.400 -2.347
153 HA THR 452 HA THR 452 -1.679 11.796 -3.781
154 HB THR 452 HB THR 452 0.631 10.936 -2.902
155 HG1 THR 452 HG1 THR 452 0.558 9.614 -1.168
156 HG21 THR 452 HG21 THR 452 -1.401 12.227 -1.077
157 HG22 THR 452 HG22 THR 452 -0.370 13.057 -2.242
158 HG23 THR 452 HG23 THR 452 0.346 12.256 -0.842
159 H ALA 453 HN ALA 453 -2.538 8.696 -4.258
160 HA ALA 453 HA ALA 453 -2.319 7.216 -5.967
161 HB1 ALA 453 HB1 ALA 453 -2.537 9.199 -7.385
162 HB2 ALA 453 HB2 ALA 453 -1.462 8.000 -8.104
163 HB3 ALA 453 HB3 ALA 453 -0.790 9.434 -7.326
164 H GLU 454 HN GLU 454 -0.394 7.229 -3.826
165 HA GLU 454 HA GLU 454 2.085 6.448 -5.209
166 HB2 GLU 454 HB2 GLU 454 3.260 6.925 -3.141
167 HB3 GLU 454 HB1 GLU 454 2.317 8.329 -3.620
168 HG2 GLU 454 HG2 GLU 454 0.646 7.847 -1.971
169 HG3 GLU 454 HG1 GLU 454 1.419 6.313 -1.577
170 H SER 455 HN SER 455 3.082 4.516 -4.704
171 HA SER 455 HA SER 455 1.546 2.608 -3.132
172 HB2 SER 455 HB2 SER 455 3.487 1.058 -3.809
173 HB3 SER 455 HB1 SER 455 2.423 1.620 -5.098
174 HG SER 455 HG SER 455 3.985 3.208 -5.607
175 H THR 456 HN THR 456 1.744 2.834 -1.018
176 HA THR 456 HA THR 456 4.162 3.979 0.113
177 HB THR 456 HB THR 456 1.579 3.208 1.496
178 HG1 THR 456 HG1 THR 456 2.395 5.775 0.522
179 HG21 THR 456 HG21 THR 456 2.305 4.815 3.203
180 HG22 THR 456 HG22 THR 456 3.812 5.070 2.322
181 HG23 THR 456 HG23 THR 456 3.457 3.493 3.030
182 H TRP 457 HN TRP 457 5.772 2.604 0.518
183 HA TRP 457 HA TRP 457 5.177 -0.068 1.559
184 HB2 TRP 457 HB2 TRP 457 7.815 1.142 0.685
185 HB3 TRP 457 HB1 TRP 457 7.565 -0.533 1.174
186 HD1 TRP 457 HD1 TRP 457 6.803 1.886 -1.701
187 HE1 TRP 457 HE1 TRP 457 6.174 0.518 -3.784
188 HE3 TRP 457 HE3 TRP 457 6.659 -2.765 0.416
189 HZ2 TRP 457 HZ2 TRP 457 5.672 -2.187 -4.440
190 HZ3 TRP 457 HZ3 TRP 457 6.103 -4.692 -1.008
191 HH2 TRP 457 HH2 TRP 457 5.623 -4.408 -3.387
192 H GLU 458 HN GLU 458 5.614 2.956 2.668
193 HA GLU 458 HA GLU 458 7.176 2.418 5.017
194 HB2 GLU 458 HB2 GLU 458 5.282 4.715 4.474
195 HB3 GLU 458 HB1 GLU 458 6.534 4.660 5.706
196 HG2 GLU 458 HG2 GLU 458 6.906 4.764 2.726
197 HG3 GLU 458 HG1 GLU 458 7.306 6.011 3.907
198 H LYS 459 HN LYS 459 6.442 1.557 6.871
199 HA LYS 459 HA LYS 459 3.652 0.884 7.149
200 HB2 LYS 459 HB2 LYS 459 5.355 -0.713 7.861
201 HB3 LYS 459 HB1 LYS 459 5.995 0.454 9.008
202 HG2 LYS 459 HG2 LYS 459 4.616 -1.244 10.097
203 HG3 LYS 459 HG1 LYS 459 3.938 0.374 10.285
204 HD2 LYS 459 HD2 LYS 459 2.383 -0.081 8.434
205 HD3 LYS 459 HD1 LYS 459 3.041 -1.713 8.296
206 HE2 LYS 459 HE2 LYS 459 2.313 -2.201 10.573
207 HE3 LYS 459 HE1 LYS 459 1.680 -0.562 10.730
208 HZ1 LYS 459 HZ1 LYS 459 0.062 -0.999 9.061
209 HZ2 LYS 459 HZ2 LYS 459 -0.015 -2.266 10.186
210 HZ3 LYS 459 HZ3 LYS 459 0.747 -2.503 8.691
211 HA PRO 460 HA PRO 460 3.068 4.789 9.404
212 HB2 PRO 460 HB2 PRO 460 0.225 4.258 9.232
213 HB3 PRO 460 HB1 PRO 460 1.155 5.549 8.473
214 HG2 PRO 460 HG2 PRO 460 -0.007 3.487 7.099
215 HG3 PRO 460 HG1 PRO 460 1.401 4.397 6.525
216 HD2 PRO 460 HD2 PRO 460 1.270 1.694 7.784
217 HD3 PRO 460 HD1 PRO 460 2.331 2.307 6.498
Start of MODEL 17
1 H SER 433 HT1 SER 433 -10.678 2.691 7.374
2 HA SER 433 HA SER 433 -8.597 2.825 6.146
3 HB2 SER 433 HB2 SER 433 -9.446 0.631 6.835
4 HB3 SER 433 HB1 SER 433 -10.415 0.526 5.368
5 HG SER 433 HG SER 433 -7.572 0.609 5.531
6 H GLU 434 HN GLU 434 -8.169 4.304 4.607
7 HA GLU 434 HA GLU 434 -9.414 3.951 1.971
8 HB2 GLU 434 HB2 GLU 434 -8.430 6.184 1.447
9 HB3 GLU 434 HB1 GLU 434 -9.590 6.207 2.765
10 HG2 GLU 434 HG2 GLU 434 -6.618 6.094 3.208
11 HG3 GLU 434 HG1 GLU 434 -7.514 7.606 3.070
12 H TRP 435 HN TRP 435 -6.592 3.278 3.675
13 HA TRP 435 HA TRP 435 -4.901 3.179 1.307
14 HB2 TRP 435 HB2 TRP 435 -4.284 2.341 4.158
15 HB3 TRP 435 HB1 TRP 435 -3.121 2.505 2.846
16 HD1 TRP 435 HD1 TRP 435 -5.174 4.572 5.304
17 HE1 TRP 435 HE1 TRP 435 -4.299 6.987 5.315
18 HE3 TRP 435 HE3 TRP 435 -1.883 4.249 1.407
19 HZ2 TRP 435 HZ2 TRP 435 -2.448 8.553 3.858
20 HZ3 TRP 435 HZ3 TRP 435 -0.602 6.252 0.776
21 HH2 TRP 435 HH2 TRP 435 -0.882 8.361 1.970
22 H THR 436 HN THR 436 -4.726 1.387 0.096
23 HA THR 436 HA THR 436 -6.154 -0.992 0.980
24 HB THR 436 HB THR 436 -4.826 -0.363 -1.666
25 HG1 THR 436 HG1 THR 436 -7.157 0.405 -0.639
26 HG21 THR 436 HG21 THR 436 -4.875 -2.782 -1.251
27 HG22 THR 436 HG22 THR 436 -6.013 -2.337 -2.525
28 HG23 THR 436 HG23 THR 436 -6.603 -2.689 -0.901
29 H GLU 437 HN GLU 437 -5.151 -2.631 1.911
30 HA GLU 437 HA GLU 437 -2.251 -2.790 1.793
31 HB2 GLU 437 HB2 GLU 437 -2.667 -4.727 3.414
32 HB3 GLU 437 HB1 GLU 437 -3.091 -3.119 3.982
33 HG2 GLU 437 HG2 GLU 437 -5.405 -3.523 3.657
34 HG3 GLU 437 HG1 GLU 437 -5.085 -5.014 2.772
35 H ARG 438 HN ARG 438 -1.564 -3.630 -0.089
36 HA ARG 438 HA ARG 438 -3.292 -5.570 -1.414
37 HB2 ARG 438 HB2 ARG 438 -0.971 -3.908 -2.418
38 HB3 ARG 438 HB1 ARG 438 -1.751 -5.163 -3.383
39 HG2 ARG 438 HG2 ARG 438 -3.902 -3.968 -3.117
40 HG3 ARG 438 HG1 ARG 438 -3.044 -2.678 -2.280
41 HD2 ARG 438 HD2 ARG 438 -1.669 -2.333 -4.290
42 HD3 ARG 438 HD1 ARG 438 -2.596 -3.579 -5.120
43 HE ARG 438 HE ARG 438 -4.321 -1.589 -4.094
44 HH11 ARG 438 HH11 ARG 438 -2.080 -2.213 -6.714
45 HH12 ARG 438 HH12 ARG 438 -2.731 -0.959 -7.734
46 HH21 ARG 438 HH21 ARG 438 -5.193 0.035 -5.438
47 HH22 ARG 438 HH22 ARG 438 -4.497 0.315 -7.012
48 H LYS 439 HN LYS 439 -2.973 -7.517 -0.735
49 HA LYS 439 HA LYS 439 -0.276 -8.407 -0.086
50 HB2 LYS 439 HB2 LYS 439 -1.518 -10.434 0.835
51 HB3 LYS 439 HB1 LYS 439 -1.761 -8.907 1.670
52 HG2 LYS 439 HG2 LYS 439 -3.891 -8.628 0.404
53 HG3 LYS 439 HG1 LYS 439 -3.656 -10.250 -0.249
54 HD2 LYS 439 HD2 LYS 439 -5.149 -10.368 1.636
55 HD3 LYS 439 HD1 LYS 439 -3.615 -11.124 2.072
56 HE2 LYS 439 HE2 LYS 439 -4.402 -9.738 3.894
57 HE3 LYS 439 HE1 LYS 439 -2.935 -9.050 3.203
58 HZ1 LYS 439 HZ1 LYS 439 -4.557 -7.336 3.638
59 HZ2 LYS 439 HZ2 LYS 439 -5.718 -8.123 2.686
60 HZ3 LYS 439 HZ3 LYS 439 -4.327 -7.481 1.963
61 H THR 440 HN THR 440 0.689 -8.842 -1.916
62 HA THR 440 HA THR 440 -0.621 -10.407 -3.980
63 HB THR 440 HB THR 440 1.492 -10.074 -5.251
64 HG1 THR 440 HG1 THR 440 2.246 -8.667 -2.884
65 HG21 THR 440 HG21 THR 440 -0.328 -8.439 -5.436
66 HG22 THR 440 HG22 THR 440 1.249 -7.658 -5.570
67 HG23 THR 440 HG23 THR 440 0.335 -7.547 -4.066
68 H ALA 441 HN ALA 441 0.163 -12.375 -4.791
69 HA ALA 441 HA ALA 441 0.854 -14.269 -2.804
70 HB1 ALA 441 HB1 ALA 441 0.917 -14.579 -5.805
71 HB2 ALA 441 HB2 ALA 441 -0.495 -14.817 -4.777
72 HB3 ALA 441 HB3 ALA 441 0.899 -15.886 -4.621
73 H ASP 442 HN ASP 442 2.766 -12.150 -4.560
74 HA ASP 442 HA ASP 442 5.185 -13.631 -4.727
75 HB2 ASP 442 HB2 ASP 442 4.854 -11.664 -6.097
76 HB3 ASP 442 HB1 ASP 442 4.606 -10.658 -4.676
77 H GLY 443 HN GLY 443 3.428 -12.446 -2.130
78 HA2 GLY 443 HA2 GLY 443 3.923 -12.917 0.109
79 HA3 GLY 443 HA1 GLY 443 5.615 -13.107 -0.326
80 H LYS 444 HN LYS 444 3.464 -10.369 -1.008
81 HA LYS 444 HA LYS 444 4.789 -8.793 1.032
82 HB2 LYS 444 HB2 LYS 444 5.566 -7.045 -0.466
83 HB3 LYS 444 HB1 LYS 444 6.315 -8.579 -0.889
84 HG2 LYS 444 HG2 LYS 444 4.736 -8.840 -2.728
85 HG3 LYS 444 HG1 LYS 444 3.983 -7.305 -2.300
86 HD2 LYS 444 HD2 LYS 444 6.105 -6.154 -2.733
87 HD3 LYS 444 HD1 LYS 444 6.842 -7.696 -3.180
88 HE2 LYS 444 HE2 LYS 444 4.589 -6.264 -4.574
89 HE3 LYS 444 HE1 LYS 444 6.211 -6.579 -5.194
90 HZ1 LYS 444 HZ1 LYS 444 4.643 -8.138 -6.130
91 HZ2 LYS 444 HZ2 LYS 444 4.143 -8.620 -4.588
92 HZ3 LYS 444 HZ3 LYS 444 5.722 -8.960 -5.106
93 H THR 445 HN THR 445 3.497 -7.343 1.873
94 HA THR 445 HA THR 445 1.009 -6.629 0.471
95 HB THR 445 HB THR 445 1.618 -6.669 3.440
96 HG1 THR 445 HG1 THR 445 1.288 -8.757 2.708
97 HG21 THR 445 HG21 THR 445 -0.774 -6.208 3.745
98 HG22 THR 445 HG22 THR 445 -0.956 -6.025 2.000
99 HG23 THR 445 HG23 THR 445 0.042 -4.887 2.905
100 H TYR 446 HN TYR 446 0.548 -4.445 0.155
101 HA TYR 446 HA TYR 446 2.277 -2.473 1.417
102 HB2 TYR 446 HB2 TYR 446 2.673 -1.415 -0.894
103 HB3 TYR 446 HB1 TYR 446 3.655 -2.793 -0.428
104 HD1 TYR 446 HD1 TYR 446 0.975 -1.623 -2.660
105 HD2 TYR 446 HD2 TYR 446 3.470 -4.898 -1.590
106 HE1 TYR 446 HE1 TYR 446 0.429 -2.731 -4.784
107 HE2 TYR 446 HE2 TYR 446 2.906 -6.022 -3.701
108 HH TYR 446 HH TYR 446 1.342 -4.404 -6.268
109 H TYR 447 HN TYR 447 1.394 -0.449 1.565
110 HA TYR 447 HA TYR 447 -1.499 -0.488 1.232
111 HB2 TYR 447 HB2 TYR 447 -0.000 1.717 2.613
112 HB3 TYR 447 HB1 TYR 447 -1.612 1.092 2.945
113 HD1 TYR 447 HD1 TYR 447 -1.529 -1.574 3.578
114 HD2 TYR 447 HD2 TYR 447 1.594 1.251 4.200
115 HE1 TYR 447 HE1 TYR 447 -0.571 -3.018 5.329
116 HE2 TYR 447 HE2 TYR 447 2.550 -0.189 5.949
117 HH TYR 447 HH TYR 447 1.563 -3.414 6.411
118 H TYR 448 HN TYR 448 -1.964 0.035 -0.826
119 HA TYR 448 HA TYR 448 -0.651 2.330 -2.079
120 HB2 TYR 448 HB2 TYR 448 -1.073 -0.034 -3.143
121 HB3 TYR 448 HB1 TYR 448 -2.692 0.589 -3.426
122 HD1 TYR 448 HD1 TYR 448 -2.878 2.807 -4.754
123 HD2 TYR 448 HD2 TYR 448 0.643 0.423 -4.623
124 HE1 TYR 448 HE1 TYR 448 -2.077 3.889 -6.813
125 HE2 TYR 448 HE2 TYR 448 1.455 1.498 -6.678
126 HH TYR 448 HH TYR 448 0.227 4.313 -7.896
127 H ASN 449 HN ASN 449 -1.665 4.242 -2.357
128 HA ASN 449 HA ASN 449 -4.597 4.327 -2.192
129 HB2 ASN 449 HB2 ASN 449 -3.539 4.942 0.033
130 HB3 ASN 449 HB1 ASN 449 -2.840 6.338 -0.775
131 HD21 ASN 449 HD21 ASN 449 -4.710 6.223 1.440
132 HD22 ASN 449 HD22 ASN 449 -6.116 7.098 0.942
133 H ASN 450 HN ASN 450 -5.508 5.633 -3.656
134 HA ASN 450 HA ASN 450 -3.876 6.709 -5.741
135 HB2 ASN 450 HB2 ASN 450 -5.965 7.251 -6.843
136 HB3 ASN 450 HB1 ASN 450 -6.075 5.636 -6.152
137 HD21 ASN 450 HD21 ASN 450 -7.270 8.863 -6.084
138 HD22 ASN 450 HD22 ASN 450 -8.561 8.592 -4.961
139 H ARG 451 HN ARG 451 -4.654 7.953 -2.779
140 HA ARG 451 HA ARG 451 -5.257 10.621 -3.167
141 HB2 ARG 451 HB2 ARG 451 -5.112 9.723 -0.937
142 HB3 ARG 451 HB1 ARG 451 -3.406 9.353 -1.146
143 HG2 ARG 451 HG2 ARG 451 -2.858 11.707 -1.201
144 HG3 ARG 451 HG1 ARG 451 -4.570 12.134 -1.121
145 HD2 ARG 451 HD2 ARG 451 -4.752 11.161 1.079
146 HD3 ARG 451 HD1 ARG 451 -3.088 10.580 0.997
147 HE ARG 451 HE ARG 451 -2.499 13.048 0.859
148 HH11 ARG 451 HH11 ARG 451 -5.428 11.954 2.437
149 HH12 ARG 451 HH12 ARG 451 -5.392 13.192 3.657
150 HH21 ARG 451 HH21 ARG 451 -2.467 14.707 2.414
151 HH22 ARG 451 HH22 ARG 451 -3.710 14.775 3.633
152 H THR 452 HN THR 452 -2.018 9.173 -3.034
153 HA THR 452 HA THR 452 -1.095 11.337 -4.802
154 HB THR 452 HB THR 452 1.212 10.749 -3.881
155 HG1 THR 452 HG1 THR 452 1.328 9.526 -2.089
156 HG21 THR 452 HG21 THR 452 0.910 12.144 -1.877
157 HG22 THR 452 HG22 THR 452 -0.838 11.952 -2.016
158 HG23 THR 452 HG23 THR 452 0.057 12.806 -3.272
159 H ALA 453 HN ALA 453 -2.027 8.237 -4.798
160 HA ALA 453 HA ALA 453 -1.768 6.426 -6.127
161 HB1 ALA 453 HB1 ALA 453 -0.144 8.287 -7.862
162 HB2 ALA 453 HB2 ALA 453 -1.885 8.027 -7.967
163 HB3 ALA 453 HB3 ALA 453 -0.775 6.711 -8.342
164 H GLU 454 HN GLU 454 -0.034 6.784 -3.934
165 HA GLU 454 HA GLU 454 2.527 5.707 -4.923
166 HB2 GLU 454 HB2 GLU 454 1.897 7.249 -2.403
167 HB3 GLU 454 HB1 GLU 454 3.439 6.457 -2.699
168 HG2 GLU 454 HG2 GLU 454 3.741 7.863 -4.698
169 HG3 GLU 454 HG1 GLU 454 2.230 8.691 -4.313
170 H SER 455 HN SER 455 3.461 3.952 -3.906
171 HA SER 455 HA SER 455 1.653 2.305 -2.310
172 HB2 SER 455 HB2 SER 455 3.479 0.564 -2.642
173 HB3 SER 455 HB1 SER 455 2.658 1.098 -4.108
174 HG SER 455 HG SER 455 4.784 2.686 -3.597
175 H THR 456 HN THR 456 1.750 2.483 -0.184
176 HA THR 456 HA THR 456 4.060 3.742 1.054
177 HB THR 456 HB THR 456 1.488 2.880 2.385
178 HG1 THR 456 HG1 THR 456 1.629 4.582 0.462
179 HG21 THR 456 HG21 THR 456 2.065 4.656 3.983
180 HG22 THR 456 HG22 THR 456 3.555 4.965 3.091
181 HG23 THR 456 HG23 THR 456 3.323 3.419 3.904
182 H TRP 457 HN TRP 457 5.668 2.510 1.702
183 HA TRP 457 HA TRP 457 5.106 -0.176 2.761
184 HB2 TRP 457 HB2 TRP 457 7.800 0.984 2.017
185 HB3 TRP 457 HB1 TRP 457 7.431 -0.698 2.368
186 HD1 TRP 457 HD1 TRP 457 6.944 1.959 -0.359
187 HE1 TRP 457 HE1 TRP 457 6.442 0.775 -2.586
188 HE3 TRP 457 HE3 TRP 457 6.553 -2.853 1.344
189 HZ2 TRP 457 HZ2 TRP 457 5.953 -1.846 -3.503
190 HZ3 TRP 457 HZ3 TRP 457 6.070 -4.638 -0.284
191 HH2 TRP 457 HH2 TRP 457 5.780 -4.142 -2.653
192 H GLU 458 HN GLU 458 6.278 2.980 3.548
193 HA GLU 458 HA GLU 458 7.332 2.272 6.138
194 HB2 GLU 458 HB2 GLU 458 7.314 4.587 4.419
195 HB3 GLU 458 HB1 GLU 458 6.758 5.042 6.021
196 HG2 GLU 458 HG2 GLU 458 9.074 5.410 6.003
197 HG3 GLU 458 HG1 GLU 458 8.832 3.928 6.923
198 H LYS 459 HN LYS 459 6.196 2.170 7.998
199 HA LYS 459 HA LYS 459 3.403 2.441 8.102
200 HB2 LYS 459 HB2 LYS 459 5.504 2.404 10.261
201 HB3 LYS 459 HB1 LYS 459 3.785 2.508 10.622
202 HG2 LYS 459 HG2 LYS 459 5.131 0.279 9.108
203 HG3 LYS 459 HG1 LYS 459 4.600 0.219 10.791
204 HD2 LYS 459 HD2 LYS 459 2.288 0.604 10.066
205 HD3 LYS 459 HD1 LYS 459 2.823 0.635 8.386
206 HE2 LYS 459 HE2 LYS 459 3.074 -1.704 10.271
207 HE3 LYS 459 HE1 LYS 459 1.866 -1.533 8.998
208 HZ1 LYS 459 HZ1 LYS 459 3.570 -2.890 8.148
209 HZ2 LYS 459 HZ2 LYS 459 4.799 -1.859 8.688
210 HZ3 LYS 459 HZ3 LYS 459 3.787 -1.384 7.415
211 HA PRO 460 HA PRO 460 2.900 6.860 7.824
212 HB2 PRO 460 HB2 PRO 460 0.468 6.138 9.399
213 HB3 PRO 460 HB1 PRO 460 0.618 7.160 7.965
214 HG2 PRO 460 HG2 PRO 460 -0.318 4.675 7.769
215 HG3 PRO 460 HG1 PRO 460 0.746 5.350 6.523
216 HD2 PRO 460 HD2 PRO 460 1.340 3.343 8.634
217 HD3 PRO 460 HD1 PRO 460 2.033 3.518 7.010
Start of MODEL 18
1 H SER 433 HT1 SER 433 -11.455 2.771 0.581
2 HA SER 433 HA SER 433 -10.482 3.018 3.363
3 HB2 SER 433 HB2 SER 433 -8.892 1.164 2.495
4 HB3 SER 433 HB1 SER 433 -10.535 0.710 2.942
5 HG SER 433 HG SER 433 -9.883 -0.175 0.922
6 H GLU 434 HN GLU 434 -8.849 4.368 3.599
7 HA GLU 434 HA GLU 434 -7.904 5.832 1.314
8 HB2 GLU 434 HB2 GLU 434 -7.457 6.063 4.276
9 HB3 GLU 434 HB1 GLU 434 -6.517 7.020 3.144
10 HG2 GLU 434 HG2 GLU 434 -8.511 8.164 4.132
11 HG3 GLU 434 HG1 GLU 434 -8.431 8.166 2.371
12 H TRP 435 HN TRP 435 -6.538 3.506 3.587
13 HA TRP 435 HA TRP 435 -4.092 3.485 1.937
14 HB2 TRP 435 HB2 TRP 435 -4.208 2.669 4.844
15 HB3 TRP 435 HB1 TRP 435 -2.777 2.955 3.861
16 HD1 TRP 435 HD1 TRP 435 -4.757 4.576 6.438
17 HE1 TRP 435 HE1 TRP 435 -4.339 7.116 6.522
18 HE3 TRP 435 HE3 TRP 435 -2.352 5.135 1.964
19 HZ2 TRP 435 HZ2 TRP 435 -3.166 9.099 4.872
20 HZ3 TRP 435 HZ3 TRP 435 -1.623 7.381 1.289
21 HH2 TRP 435 HH2 TRP 435 -2.030 9.323 2.700
22 H THR 436 HN THR 436 -4.418 1.788 0.597
23 HA THR 436 HA THR 436 -5.488 -0.691 1.717
24 HB THR 436 HB THR 436 -4.807 0.059 -1.131
25 HG1 THR 436 HG1 THR 436 -6.961 0.487 0.395
26 HG21 THR 436 HG21 THR 436 -6.072 -2.480 -0.068
27 HG22 THR 436 HG22 THR 436 -4.448 -2.348 -0.748
28 HG23 THR 436 HG23 THR 436 -5.860 -2.066 -1.768
29 H GLU 437 HN GLU 437 -3.977 -1.855 2.759
30 HA GLU 437 HA GLU 437 -1.362 -2.143 1.533
31 HB2 GLU 437 HB2 GLU 437 -0.965 -3.712 3.514
32 HB3 GLU 437 HB1 GLU 437 -1.140 -2.000 3.854
33 HG2 GLU 437 HG2 GLU 437 -3.567 -2.500 4.385
34 HG3 GLU 437 HG1 GLU 437 -3.108 -4.204 4.355
35 H ARG 438 HN ARG 438 -1.231 -3.398 -0.105
36 HA ARG 438 HA ARG 438 -3.278 -5.414 -0.543
37 HB2 ARG 438 HB2 ARG 438 -1.446 -3.810 -2.261
38 HB3 ARG 438 HB1 ARG 438 -1.879 -5.422 -2.843
39 HG2 ARG 438 HG2 ARG 438 -4.218 -4.887 -2.785
40 HG3 ARG 438 HG1 ARG 438 -3.888 -3.337 -2.009
41 HD2 ARG 438 HD2 ARG 438 -2.827 -2.501 -3.953
42 HD3 ARG 438 HD1 ARG 438 -2.833 -4.086 -4.726
43 HE ARG 438 HE ARG 438 -5.426 -2.943 -4.064
44 HH11 ARG 438 HH11 ARG 438 -2.973 -3.491 -6.509
45 HH12 ARG 438 HH12 ARG 438 -4.050 -3.200 -7.842
46 HH21 ARG 438 HH21 ARG 438 -6.828 -2.517 -5.790
47 HH22 ARG 438 HH22 ARG 438 -6.249 -2.616 -7.430
48 H LYS 439 HN LYS 439 -2.934 -7.438 -0.064
49 HA LYS 439 HA LYS 439 -0.229 -8.305 0.544
50 HB2 LYS 439 HB2 LYS 439 -2.844 -9.785 0.903
51 HB3 LYS 439 HB1 LYS 439 -1.283 -10.251 1.561
52 HG2 LYS 439 HG2 LYS 439 -1.263 -8.299 2.990
53 HG3 LYS 439 HG1 LYS 439 -2.781 -7.741 2.284
54 HD2 LYS 439 HD2 LYS 439 -3.500 -8.753 4.238
55 HD3 LYS 439 HD1 LYS 439 -3.691 -10.047 3.057
56 HE2 LYS 439 HE2 LYS 439 -1.373 -9.708 4.966
57 HE3 LYS 439 HE1 LYS 439 -2.688 -10.868 5.135
58 HZ1 LYS 439 HZ1 LYS 439 -0.812 -11.991 4.235
59 HZ2 LYS 439 HZ2 LYS 439 -0.593 -10.820 3.036
60 HZ3 LYS 439 HZ3 LYS 439 -1.946 -11.843 2.980
61 H THR 440 HN THR 440 0.801 -8.757 -1.301
62 HA THR 440 HA THR 440 -0.436 -10.455 -3.312
63 HB THR 440 HB THR 440 1.656 -10.201 -4.559
64 HG1 THR 440 HG1 THR 440 2.531 -8.677 -2.306
65 HG21 THR 440 HG21 THR 440 1.597 -7.792 -4.915
66 HG22 THR 440 HG22 THR 440 0.695 -7.578 -3.414
67 HG23 THR 440 HG23 THR 440 -0.033 -8.439 -4.769
68 H ALA 441 HN ALA 441 0.415 -12.476 -3.973
69 HA ALA 441 HA ALA 441 0.720 -14.235 -1.812
70 HB1 ALA 441 HB1 ALA 441 1.218 -14.766 -4.733
71 HB2 ALA 441 HB2 ALA 441 -0.349 -14.839 -3.922
72 HB3 ALA 441 HB3 ALA 441 0.927 -15.977 -3.485
73 H ASP 442 HN ASP 442 3.112 -12.544 -3.643
74 HA ASP 442 HA ASP 442 5.322 -14.239 -3.216
75 HB2 ASP 442 HB2 ASP 442 5.343 -12.303 -4.765
76 HB3 ASP 442 HB1 ASP 442 5.305 -11.216 -3.381
77 H GLY 443 HN GLY 443 3.439 -12.533 -1.025
78 HA2 GLY 443 HA2 GLY 443 3.623 -12.632 1.304
79 HA3 GLY 443 HA1 GLY 443 5.313 -13.091 1.135
80 H LYS 444 HN LYS 444 3.783 -10.378 -0.474
81 HA LYS 444 HA LYS 444 5.120 -8.537 1.379
82 HB2 LYS 444 HB2 LYS 444 6.006 -7.172 -0.444
83 HB3 LYS 444 HB1 LYS 444 6.656 -8.803 -0.521
84 HG2 LYS 444 HG2 LYS 444 5.255 -9.360 -2.356
85 HG3 LYS 444 HG1 LYS 444 4.332 -7.870 -2.183
86 HD2 LYS 444 HD2 LYS 444 5.728 -7.395 -3.967
87 HD3 LYS 444 HD1 LYS 444 6.602 -6.696 -2.607
88 HE2 LYS 444 HE2 LYS 444 7.134 -9.457 -3.680
89 HE3 LYS 444 HE1 LYS 444 7.984 -8.022 -4.241
90 HZ1 LYS 444 HZ1 LYS 444 9.219 -9.227 -2.544
91 HZ2 LYS 444 HZ2 LYS 444 7.962 -9.006 -1.435
92 HZ3 LYS 444 HZ3 LYS 444 8.823 -7.665 -2.022
93 H THR 445 HN THR 445 3.954 -6.786 1.866
94 HA THR 445 HA THR 445 1.453 -6.364 0.380
95 HB THR 445 HB THR 445 1.131 -6.990 2.749
96 HG1 THR 445 HG1 THR 445 -0.057 -4.943 3.303
97 HG21 THR 445 HG21 THR 445 3.178 -6.088 3.710
98 HG22 THR 445 HG22 THR 445 1.771 -5.416 4.533
99 HG23 THR 445 HG23 THR 445 2.645 -4.445 3.349
100 H TYR 446 HN TYR 446 0.876 -4.213 -0.180
101 HA TYR 446 HA TYR 446 2.841 -2.150 0.399
102 HB2 TYR 446 HB2 TYR 446 2.953 -1.425 -1.961
103 HB3 TYR 446 HB1 TYR 446 3.669 -3.000 -1.688
104 HD1 TYR 446 HD1 TYR 446 0.419 -1.493 -2.816
105 HD2 TYR 446 HD2 TYR 446 3.201 -4.689 -3.191
106 HE1 TYR 446 HE1 TYR 446 -0.803 -2.325 -4.760
107 HE2 TYR 446 HE2 TYR 446 1.938 -5.557 -5.121
108 HH TYR 446 HH TYR 446 -0.417 -5.395 -6.035
109 H TYR 447 HN TYR 447 2.048 -0.086 0.410
110 HA TYR 447 HA TYR 447 -0.841 0.011 0.689
111 HB2 TYR 447 HB2 TYR 447 1.375 1.911 1.448
112 HB3 TYR 447 HB1 TYR 447 -0.321 2.364 1.553
113 HD1 TYR 447 HD1 TYR 447 1.429 -0.821 2.443
114 HD2 TYR 447 HD2 TYR 447 -0.847 2.510 3.786
115 HE1 TYR 447 HE1 TYR 447 1.267 -1.839 4.676
116 HE2 TYR 447 HE2 TYR 447 -1.018 1.485 6.022
117 HH TYR 447 HH TYR 447 -0.963 -0.901 6.911
118 H TYR 448 HN TYR 448 -1.693 0.120 -1.343
119 HA TYR 448 HA TYR 448 -0.814 2.268 -3.091
120 HB2 TYR 448 HB2 TYR 448 -1.594 -0.071 -3.890
121 HB3 TYR 448 HB1 TYR 448 -3.225 0.530 -3.588
122 HD1 TYR 448 HD1 TYR 448 -4.032 2.552 -4.849
123 HD2 TYR 448 HD2 TYR 448 -0.392 0.577 -5.818
124 HE1 TYR 448 HE1 TYR 448 -4.009 3.679 -7.037
125 HE2 TYR 448 HE2 TYR 448 -0.363 1.691 -8.009
126 HH TYR 448 HH TYR 448 -1.869 2.765 -9.562
127 H ASN 449 HN ASN 449 -1.577 4.213 -2.895
128 HA ASN 449 HA ASN 449 -4.155 4.613 -1.534
129 HB2 ASN 449 HB2 ASN 449 -2.448 5.471 -0.136
130 HB3 ASN 449 HB1 ASN 449 -1.593 6.197 -1.494
131 HD21 ASN 449 HD21 ASN 449 -4.421 6.419 0.550
132 HD22 ASN 449 HD22 ASN 449 -4.699 8.104 0.274
133 H ASN 450 HN ASN 450 -5.700 5.763 -2.547
134 HA ASN 450 HA ASN 450 -5.093 6.732 -5.241
135 HB2 ASN 450 HB2 ASN 450 -7.013 5.170 -4.857
136 HB3 ASN 450 HB1 ASN 450 -7.789 6.429 -3.905
137 HD21 ASN 450 HD21 ASN 450 -5.918 7.000 -6.816
138 HD22 ASN 450 HD22 ASN 450 -7.244 7.528 -7.787
139 H ARG 451 HN ARG 451 -5.163 7.996 -2.193
140 HA ARG 451 HA ARG 451 -6.604 10.408 -2.648
141 HB2 ARG 451 HB2 ARG 451 -4.573 9.697 -0.537
142 HB3 ARG 451 HB1 ARG 451 -5.466 11.212 -0.567
143 HG2 ARG 451 HG2 ARG 451 -6.675 8.459 -0.356
144 HG3 ARG 451 HG1 ARG 451 -6.467 9.604 0.973
145 HD2 ARG 451 HD2 ARG 451 -7.969 11.169 -0.102
146 HD3 ARG 451 HD1 ARG 451 -8.108 10.115 -1.506
147 HE ARG 451 HE ARG 451 -8.893 8.650 0.733
148 HH11 ARG 451 HH11 ARG 451 -9.958 11.458 -1.057
149 HH12 ARG 451 HH12 ARG 451 -11.646 11.200 -0.706
150 HH21 ARG 451 HH21 ARG 451 -11.100 8.297 1.203
151 HH22 ARG 451 HH22 ARG 451 -12.286 9.414 0.588
152 H THR 452 HN THR 452 -3.147 9.632 -2.585
153 HA THR 452 HA THR 452 -2.668 12.102 -4.130
154 HB THR 452 HB THR 452 -0.324 11.986 -3.177
155 HG1 THR 452 HG1 THR 452 0.073 10.617 -1.507
156 HG21 THR 452 HG21 THR 452 -0.952 12.968 -1.008
157 HG22 THR 452 HG22 THR 452 -2.597 12.375 -1.225
158 HG23 THR 452 HG23 THR 452 -1.948 13.593 -2.322
159 H ALA 453 HN ALA 453 -2.878 8.875 -4.418
160 HA ALA 453 HA ALA 453 -2.104 7.249 -5.770
161 HB1 ALA 453 HB1 ALA 453 -2.559 8.965 -7.528
162 HB2 ALA 453 HB2 ALA 453 -1.310 7.794 -7.950
163 HB3 ALA 453 HB3 ALA 453 -0.856 9.425 -7.441
164 H GLU 454 HN GLU 454 -0.762 6.409 -4.190
165 HA GLU 454 HA GLU 454 2.103 6.849 -4.570
166 HB2 GLU 454 HB2 GLU 454 0.784 8.222 -2.612
167 HB3 GLU 454 HB1 GLU 454 1.226 6.760 -1.748
168 HG2 GLU 454 HG2 GLU 454 3.139 8.578 -3.195
169 HG3 GLU 454 HG1 GLU 454 2.860 8.555 -1.456
170 H SER 455 HN SER 455 3.375 5.087 -3.886
171 HA SER 455 HA SER 455 1.882 2.749 -2.906
172 HB2 SER 455 HB2 SER 455 3.742 1.378 -3.991
173 HB3 SER 455 HB1 SER 455 2.602 2.159 -5.085
174 HG SER 455 HG SER 455 4.122 3.705 -5.558
175 H THR 456 HN THR 456 2.174 2.935 -0.810
176 HA THR 456 HA THR 456 4.760 3.687 0.309
177 HB THR 456 HB THR 456 2.015 3.325 1.521
178 HG1 THR 456 HG1 THR 456 3.241 5.368 0.209
179 HG21 THR 456 HG21 THR 456 2.807 4.157 3.575
180 HG22 THR 456 HG22 THR 456 4.369 4.614 2.884
181 HG23 THR 456 HG23 THR 456 3.963 2.911 3.101
182 H TRP 457 HN TRP 457 6.173 2.053 0.730
183 HA TRP 457 HA TRP 457 5.123 -0.616 1.253
184 HB2 TRP 457 HB2 TRP 457 7.926 0.373 0.713
185 HB3 TRP 457 HB1 TRP 457 7.531 -1.309 1.058
186 HD1 TRP 457 HD1 TRP 457 7.029 1.385 -1.637
187 HE1 TRP 457 HE1 TRP 457 6.399 0.223 -3.848
188 HE3 TRP 457 HE3 TRP 457 6.548 -3.401 0.079
189 HZ2 TRP 457 HZ2 TRP 457 5.769 -2.377 -4.739
190 HZ3 TRP 457 HZ3 TRP 457 5.930 -5.171 -1.516
191 HH2 TRP 457 HH2 TRP 457 5.550 -4.668 -3.878
192 H GLU 458 HN GLU 458 5.985 2.016 3.060
193 HA GLU 458 HA GLU 458 6.896 0.414 5.337
194 HB2 GLU 458 HB2 GLU 458 8.229 2.409 4.757
195 HB3 GLU 458 HB1 GLU 458 6.808 3.417 4.995
196 HG2 GLU 458 HG2 GLU 458 6.760 2.910 7.330
197 HG3 GLU 458 HG1 GLU 458 8.049 1.720 7.144
198 H LYS 459 HN LYS 459 5.515 -0.111 6.901
199 HA LYS 459 HA LYS 459 2.799 0.816 6.806
200 HB2 LYS 459 HB2 LYS 459 3.230 -1.492 7.403
201 HB3 LYS 459 HB1 LYS 459 4.252 -0.998 8.743
202 HG2 LYS 459 HG2 LYS 459 2.315 -0.031 9.872
203 HG3 LYS 459 HG1 LYS 459 1.285 -0.513 8.523
204 HD2 LYS 459 HD2 LYS 459 2.911 -2.449 10.168
205 HD3 LYS 459 HD1 LYS 459 1.230 -2.045 10.513
206 HE2 LYS 459 HE2 LYS 459 2.215 -3.193 7.903
207 HE3 LYS 459 HE1 LYS 459 1.516 -4.144 9.212
208 HZ1 LYS 459 HZ1 LYS 459 0.145 -1.966 7.721
209 HZ2 LYS 459 HZ2 LYS 459 -0.529 -2.870 8.991
210 HZ3 LYS 459 HZ3 LYS 459 -0.134 -3.629 7.530
211 HA PRO 460 HA PRO 460 3.607 4.362 9.425
212 HB2 PRO 460 HB2 PRO 460 0.970 5.083 9.681
213 HB3 PRO 460 HB1 PRO 460 1.972 5.491 8.287
214 HG2 PRO 460 HG2 PRO 460 -0.020 3.287 8.605
215 HG3 PRO 460 HG1 PRO 460 0.271 4.348 7.214
216 HD2 PRO 460 HD2 PRO 460 1.199 1.817 7.313
217 HD3 PRO 460 HD1 PRO 460 2.086 3.117 6.492
Start of MODEL 19
1 H SER 433 HT1 SER 433 -10.733 6.742 4.750
2 HA SER 433 HA SER 433 -10.088 4.449 4.141
3 HB2 SER 433 HB2 SER 433 -12.303 5.586 3.613
4 HB3 SER 433 HB1 SER 433 -11.666 5.901 2.000
5 HG SER 433 HG SER 433 -12.491 4.002 1.600
6 H GLU 434 HN GLU 434 -7.787 6.090 3.321
7 HA GLU 434 HA GLU 434 -7.596 5.779 0.427
8 HB2 GLU 434 HB2 GLU 434 -5.368 6.916 2.051
9 HB3 GLU 434 HB1 GLU 434 -5.945 7.387 0.461
10 HG2 GLU 434 HG2 GLU 434 -7.185 8.037 3.119
11 HG3 GLU 434 HG1 GLU 434 -6.400 9.147 1.999
12 H TRP 435 HN TRP 435 -6.969 3.775 2.932
13 HA TRP 435 HA TRP 435 -4.316 2.969 1.966
14 HB2 TRP 435 HB2 TRP 435 -5.586 2.219 4.603
15 HB3 TRP 435 HB1 TRP 435 -3.901 2.020 4.130
16 HD1 TRP 435 HD1 TRP 435 -5.562 4.004 6.461
17 HE1 TRP 435 HE1 TRP 435 -4.596 6.384 6.698
18 HE3 TRP 435 HE3 TRP 435 -2.872 4.236 2.131
19 HZ2 TRP 435 HZ2 TRP 435 -2.937 8.120 5.244
20 HZ3 TRP 435 HZ3 TRP 435 -1.637 6.288 1.630
21 HH2 TRP 435 HH2 TRP 435 -1.676 8.194 3.140
22 H THR 436 HN THR 436 -4.424 1.394 0.525
23 HA THR 436 HA THR 436 -6.172 -0.897 1.112
24 HB THR 436 HB THR 436 -4.834 -0.079 -1.474
25 HG1 THR 436 HG1 THR 436 -7.480 -0.041 -0.478
26 HG21 THR 436 HG21 THR 436 -5.935 -2.030 -2.491
27 HG22 THR 436 HG22 THR 436 -6.501 -2.539 -0.902
28 HG23 THR 436 HG23 THR 436 -4.772 -2.522 -1.258
29 H GLU 437 HN GLU 437 -5.196 -2.557 2.076
30 HA GLU 437 HA GLU 437 -2.325 -2.905 1.787
31 HB2 GLU 437 HB2 GLU 437 -2.713 -4.824 3.404
32 HB3 GLU 437 HB1 GLU 437 -3.060 -3.215 4.019
33 HG2 GLU 437 HG2 GLU 437 -5.441 -3.576 3.664
34 HG3 GLU 437 HG1 GLU 437 -5.106 -5.174 2.998
35 H ARG 438 HN ARG 438 -1.539 -4.042 0.158
36 HA ARG 438 HA ARG 438 -3.436 -5.764 -1.277
37 HB2 ARG 438 HB2 ARG 438 -1.047 -4.168 -2.219
38 HB3 ARG 438 HB1 ARG 438 -1.847 -5.383 -3.221
39 HG2 ARG 438 HG2 ARG 438 -3.959 -4.134 -3.002
40 HG3 ARG 438 HG1 ARG 438 -3.109 -2.911 -2.059
41 HD2 ARG 438 HD2 ARG 438 -3.333 -2.177 -4.349
42 HD3 ARG 438 HD1 ARG 438 -1.638 -2.477 -3.973
43 HE ARG 438 HE ARG 438 -2.334 -4.810 -5.067
44 HH11 ARG 438 HH11 ARG 438 -3.037 -1.535 -6.095
45 HH12 ARG 438 HH12 ARG 438 -3.013 -1.908 -7.792
46 HH21 ARG 438 HH21 ARG 438 -2.283 -5.326 -7.295
47 HH22 ARG 438 HH22 ARG 438 -2.602 -4.085 -8.468
48 H LYS 439 HN LYS 439 -3.180 -7.801 -0.796
49 HA LYS 439 HA LYS 439 -0.576 -8.720 0.085
50 HB2 LYS 439 HB2 LYS 439 -1.652 -10.698 0.940
51 HB3 LYS 439 HB1 LYS 439 -2.539 -9.286 1.480
52 HG2 LYS 439 HG2 LYS 439 -3.366 -11.077 -0.799
53 HG3 LYS 439 HG1 LYS 439 -3.982 -11.180 0.846
54 HD2 LYS 439 HD2 LYS 439 -4.239 -8.781 -0.961
55 HD3 LYS 439 HD1 LYS 439 -5.502 -9.979 -0.677
56 HE2 LYS 439 HE2 LYS 439 -5.578 -9.390 1.670
57 HE3 LYS 439 HE1 LYS 439 -4.239 -8.263 1.456
58 HZ1 LYS 439 HZ1 LYS 439 -6.869 -8.027 0.090
59 HZ2 LYS 439 HZ2 LYS 439 -5.602 -6.901 0.049
60 HZ3 LYS 439 HZ3 LYS 439 -6.439 -7.180 1.496
61 H THR 440 HN THR 440 0.575 -8.802 -1.752
62 HA THR 440 HA THR 440 -0.316 -10.537 -3.902
63 HB THR 440 HB THR 440 1.808 -9.949 -5.006
64 HG1 THR 440 HG1 THR 440 2.336 -8.784 -2.486
65 HG21 THR 440 HG21 THR 440 -0.132 -8.499 -5.313
66 HG22 THR 440 HG22 THR 440 1.364 -7.563 -5.321
67 HG23 THR 440 HG23 THR 440 0.330 -7.563 -3.891
68 H ALA 441 HN ALA 441 0.458 -12.527 -4.357
69 HA ALA 441 HA ALA 441 1.453 -14.083 -2.203
70 HB1 ALA 441 HB1 ALA 441 1.347 -15.945 -3.733
71 HB2 ALA 441 HB2 ALA 441 1.218 -14.847 -5.107
72 HB3 ALA 441 HB3 ALA 441 -0.088 -14.938 -3.924
73 H ASP 442 HN ASP 442 3.124 -11.935 -3.808
74 HA ASP 442 HA ASP 442 5.517 -13.398 -4.453
75 HB2 ASP 442 HB2 ASP 442 4.751 -11.213 -5.525
76 HB3 ASP 442 HB1 ASP 442 5.230 -10.419 -4.030
77 H GLY 443 HN GLY 443 4.015 -12.703 -1.647
78 HA2 GLY 443 HA2 GLY 443 4.824 -13.195 0.490
79 HA3 GLY 443 HA1 GLY 443 6.466 -13.022 -0.111
80 H LYS 444 HN LYS 444 4.106 -10.558 -0.799
81 HA LYS 444 HA LYS 444 4.905 -8.986 1.492
82 HB2 LYS 444 HB2 LYS 444 5.581 -7.031 0.059
83 HB3 LYS 444 HB1 LYS 444 6.713 -8.371 0.112
84 HG2 LYS 444 HG2 LYS 444 6.184 -9.035 -2.089
85 HG3 LYS 444 HG1 LYS 444 4.741 -8.014 -2.132
86 HD2 LYS 444 HD2 LYS 444 6.052 -6.024 -2.164
87 HD3 LYS 444 HD1 LYS 444 7.529 -6.917 -1.807
88 HE2 LYS 444 HE2 LYS 444 5.940 -7.426 -4.301
89 HE3 LYS 444 HE1 LYS 444 7.136 -6.134 -4.218
90 HZ1 LYS 444 HZ1 LYS 444 7.565 -9.056 -4.005
91 HZ2 LYS 444 HZ2 LYS 444 8.712 -7.956 -3.425
92 HZ3 LYS 444 HZ3 LYS 444 8.291 -7.953 -5.068
93 H THR 445 HN THR 445 3.305 -7.856 2.237
94 HA THR 445 HA THR 445 1.067 -7.120 0.478
95 HB THR 445 HB THR 445 1.203 -7.158 3.508
96 HG1 THR 445 HG1 THR 445 1.154 -9.207 2.010
97 HG21 THR 445 HG21 THR 445 -1.158 -6.841 1.646
98 HG22 THR 445 HG22 THR 445 -0.443 -5.563 2.629
99 HG23 THR 445 HG23 THR 445 -1.234 -6.934 3.406
100 H TYR 446 HN TYR 446 0.575 -4.892 0.191
101 HA TYR 446 HA TYR 446 2.361 -3.034 1.577
102 HB2 TYR 446 HB2 TYR 446 2.945 -1.949 -0.610
103 HB3 TYR 446 HB1 TYR 446 3.658 -3.534 -0.357
104 HD1 TYR 446 HD1 TYR 446 0.839 -1.817 -2.100
105 HD2 TYR 446 HD2 TYR 446 3.397 -5.214 -1.967
106 HE1 TYR 446 HE1 TYR 446 0.005 -2.521 -4.294
107 HE2 TYR 446 HE2 TYR 446 2.554 -5.935 -4.163
108 HH TYR 446 HH TYR 446 0.584 -3.873 -6.135
109 H TYR 447 HN TYR 447 1.689 -0.875 1.568
110 HA TYR 447 HA TYR 447 -1.204 -0.678 1.297
111 HB2 TYR 447 HB2 TYR 447 0.651 1.392 2.471
112 HB3 TYR 447 HB1 TYR 447 -1.077 1.209 2.751
113 HD1 TYR 447 HD1 TYR 447 -1.631 -1.338 3.642
114 HD2 TYR 447 HD2 TYR 447 1.974 0.841 4.251
115 HE1 TYR 447 HE1 TYR 447 -1.146 -2.701 5.629
116 HE2 TYR 447 HE2 TYR 447 2.464 -0.518 6.241
117 HH TYR 447 HH TYR 447 0.939 -1.870 7.951
118 H TYR 448 HN TYR 448 -1.902 -0.027 -0.646
119 HA TYR 448 HA TYR 448 -0.354 1.929 -2.136
120 HB2 TYR 448 HB2 TYR 448 -1.649 -0.087 -3.155
121 HB3 TYR 448 HB1 TYR 448 -3.072 0.930 -2.952
122 HD1 TYR 448 HD1 TYR 448 -3.310 3.013 -4.256
123 HD2 TYR 448 HD2 TYR 448 0.012 0.414 -4.813
124 HE1 TYR 448 HE1 TYR 448 -2.774 4.157 -6.364
125 HE2 TYR 448 HE2 TYR 448 0.557 1.552 -6.924
126 HH TYR 448 HH TYR 448 -0.717 4.517 -7.803
127 H ASN 449 HN ASN 449 -0.726 4.029 -2.099
128 HA ASN 449 HA ASN 449 -2.774 5.019 -0.285
129 HB2 ASN 449 HB2 ASN 449 -0.405 5.778 -0.108
130 HB3 ASN 449 HB1 ASN 449 -0.542 6.499 -1.705
131 HD21 ASN 449 HD21 ASN 449 0.085 7.721 0.846
132 HD22 ASN 449 HD22 ASN 449 -1.111 8.937 1.126
133 H ASN 450 HN ASN 450 -4.703 5.310 -1.173
134 HA ASN 450 HA ASN 450 -5.077 5.827 -3.957
135 HB2 ASN 450 HB2 ASN 450 -6.723 4.524 -2.777
136 HB3 ASN 450 HB1 ASN 450 -7.002 5.822 -1.624
137 HD21 ASN 450 HD21 ASN 450 -8.401 7.451 -2.137
138 HD22 ASN 450 HD22 ASN 450 -9.332 7.488 -3.596
139 H ARG 451 HN ARG 451 -4.435 7.831 -1.293
140 HA ARG 451 HA ARG 451 -5.939 10.091 -2.236
141 HB2 ARG 451 HB2 ARG 451 -5.578 9.711 0.162
142 HB3 ARG 451 HB1 ARG 451 -3.852 9.942 -0.071
143 HG2 ARG 451 HG2 ARG 451 -5.070 11.902 0.871
144 HG3 ARG 451 HG1 ARG 451 -4.141 12.238 -0.589
145 HD2 ARG 451 HD2 ARG 451 -6.396 13.294 -0.538
146 HD3 ARG 451 HD1 ARG 451 -6.125 12.244 -1.925
147 HE ARG 451 HE ARG 451 -7.335 10.630 -0.081
148 HH11 ARG 451 HH11 ARG 451 -8.139 13.708 -1.563
149 HH12 ARG 451 HH12 ARG 451 -9.852 13.420 -1.493
150 HH21 ARG 451 HH21 ARG 451 -9.564 10.252 -0.007
151 HH22 ARG 451 HH22 ARG 451 -10.667 11.471 -0.594
152 H THR 452 HN THR 452 -2.676 8.903 -2.575
153 HA THR 452 HA THR 452 -2.052 11.313 -4.163
154 HB THR 452 HB THR 452 0.100 9.516 -3.109
155 HG1 THR 452 HG1 THR 452 0.018 10.377 -1.145
156 HG21 THR 452 HG21 THR 452 -0.056 12.475 -3.694
157 HG22 THR 452 HG22 THR 452 0.727 11.250 -4.692
158 HG23 THR 452 HG23 THR 452 1.371 11.631 -3.095
159 H ALA 453 HN ALA 453 -2.792 8.078 -4.394
160 HA ALA 453 HA ALA 453 -2.611 6.455 -5.970
161 HB1 ALA 453 HB1 ALA 453 -2.071 7.048 -8.272
162 HB2 ALA 453 HB2 ALA 453 -1.491 8.627 -7.743
163 HB3 ALA 453 HB3 ALA 453 -3.197 8.215 -7.576
164 H GLU 454 HN GLU 454 -0.443 7.199 -4.120
165 HA GLU 454 HA GLU 454 1.983 6.391 -5.558
166 HB2 GLU 454 HB2 GLU 454 3.209 7.252 -3.659
167 HB3 GLU 454 HB1 GLU 454 2.037 8.462 -4.165
168 HG2 GLU 454 HG2 GLU 454 0.544 7.768 -2.356
169 HG3 GLU 454 HG1 GLU 454 1.727 6.565 -1.849
170 H SER 455 HN SER 455 3.255 4.628 -4.806
171 HA SER 455 HA SER 455 1.775 2.676 -3.239
172 HB2 SER 455 HB2 SER 455 3.844 1.234 -3.799
173 HB3 SER 455 HB1 SER 455 2.768 1.681 -5.122
174 HG SER 455 HG SER 455 4.220 3.117 -5.863
175 H THR 456 HN THR 456 1.962 2.630 -1.124
176 HA THR 456 HA THR 456 4.210 4.005 0.147
177 HB THR 456 HB THR 456 1.544 3.162 1.306
178 HG1 THR 456 HG1 THR 456 2.340 5.330 -0.188
179 HG21 THR 456 HG21 THR 456 2.101 4.682 3.140
180 HG22 THR 456 HG22 THR 456 3.670 5.004 2.402
181 HG23 THR 456 HG23 THR 456 3.294 3.392 3.005
182 H TRP 457 HN TRP 457 5.799 2.811 0.924
183 HA TRP 457 HA TRP 457 5.250 0.027 1.719
184 HB2 TRP 457 HB2 TRP 457 7.839 1.333 0.843
185 HB3 TRP 457 HB1 TRP 457 7.671 -0.355 1.322
186 HD1 TRP 457 HD1 TRP 457 6.884 2.036 -1.547
187 HE1 TRP 457 HE1 TRP 457 6.194 0.661 -3.613
188 HE3 TRP 457 HE3 TRP 457 6.657 -2.593 0.607
189 HZ2 TRP 457 HZ2 TRP 457 5.621 -2.030 -4.232
190 HZ3 TRP 457 HZ3 TRP 457 6.040 -4.515 -0.794
191 HH2 TRP 457 HH2 TRP 457 5.538 -4.241 -3.166
192 H GLU 458 HN GLU 458 5.498 2.941 3.037
193 HA GLU 458 HA GLU 458 7.090 2.125 5.349
194 HB2 GLU 458 HB2 GLU 458 6.786 4.568 5.996
195 HB3 GLU 458 HB1 GLU 458 7.762 4.244 4.571
196 HG2 GLU 458 HG2 GLU 458 5.468 4.584 3.334
197 HG3 GLU 458 HG1 GLU 458 5.081 5.497 4.793
198 H LYS 459 HN LYS 459 6.260 2.091 7.416
199 HA LYS 459 HA LYS 459 3.524 1.230 7.535
200 HB2 LYS 459 HB2 LYS 459 5.713 1.432 9.603
201 HB3 LYS 459 HB1 LYS 459 4.098 0.843 9.971
202 HG2 LYS 459 HG2 LYS 459 5.845 -0.380 7.851
203 HG3 LYS 459 HG1 LYS 459 5.842 -0.913 9.534
204 HD2 LYS 459 HD2 LYS 459 3.424 -1.365 9.361
205 HD3 LYS 459 HD1 LYS 459 3.476 -0.888 7.661
206 HE2 LYS 459 HE2 LYS 459 4.890 -2.723 7.111
207 HE3 LYS 459 HE1 LYS 459 5.158 -3.108 8.812
208 HZ1 LYS 459 HZ1 LYS 459 2.563 -3.323 7.376
209 HZ2 LYS 459 HZ2 LYS 459 2.821 -3.689 9.012
210 HZ3 LYS 459 HZ3 LYS 459 3.567 -4.624 7.806
211 HA PRO 460 HA PRO 460 2.121 5.188 9.157
212 HB2 PRO 460 HB2 PRO 460 -0.470 4.873 8.470
213 HB3 PRO 460 HB1 PRO 460 0.767 5.338 7.299
214 HG2 PRO 460 HG2 PRO 460 -0.633 2.764 7.634
215 HG3 PRO 460 HG1 PRO 460 0.139 3.448 6.195
216 HD2 PRO 460 HD2 PRO 460 1.191 1.481 7.980
217 HD3 PRO 460 HD1 PRO 460 1.992 2.221 6.583
Start of MODEL 20
1 H SER 433 HT1 SER 433 -9.519 5.575 5.068
2 HA SER 433 HA SER 433 -10.592 3.237 3.617
3 HB2 SER 433 HB2 SER 433 -11.505 6.122 3.499
4 HB3 SER 433 HB1 SER 433 -12.101 4.808 2.483
5 HG SER 433 HG SER 433 -13.000 3.837 4.272
6 H GLU 434 HN GLU 434 -8.035 5.268 3.950
7 HA GLU 434 HA GLU 434 -7.761 5.818 1.084
8 HB2 GLU 434 HB2 GLU 434 -6.325 6.922 3.497
9 HB3 GLU 434 HB1 GLU 434 -5.800 7.235 1.852
10 HG2 GLU 434 HG2 GLU 434 -7.069 9.098 2.640
11 HG3 GLU 434 HG1 GLU 434 -7.988 8.275 1.383
12 H TRP 435 HN TRP 435 -6.813 3.501 3.284
13 HA TRP 435 HA TRP 435 -4.279 3.039 1.862
14 HB2 TRP 435 HB2 TRP 435 -4.817 2.305 4.746
15 HB3 TRP 435 HB1 TRP 435 -3.268 2.279 3.900
16 HD1 TRP 435 HD1 TRP 435 -5.020 4.333 6.304
17 HE1 TRP 435 HE1 TRP 435 -4.221 6.785 6.273
18 HE3 TRP 435 HE3 TRP 435 -2.447 4.259 1.904
19 HZ2 TRP 435 HZ2 TRP 435 -2.691 8.465 4.571
20 HZ3 TRP 435 HZ3 TRP 435 -1.357 6.316 1.136
21 HH2 TRP 435 HH2 TRP 435 -1.481 8.378 2.422
22 H THR 436 HN THR 436 -4.668 1.447 0.500
23 HA THR 436 HA THR 436 -6.267 -0.851 1.276
24 HB THR 436 HB THR 436 -4.803 -0.210 -1.293
25 HG1 THR 436 HG1 THR 436 -7.495 0.016 -0.438
26 HG21 THR 436 HG21 THR 436 -4.906 -2.627 -1.001
27 HG22 THR 436 HG22 THR 436 -6.027 -2.120 -2.266
28 HG23 THR 436 HG23 THR 436 -6.636 -2.533 -0.663
29 H GLU 437 HN GLU 437 -5.407 -2.666 2.091
30 HA GLU 437 HA GLU 437 -2.520 -3.030 2.042
31 HB2 GLU 437 HB2 GLU 437 -3.024 -5.049 3.449
32 HB3 GLU 437 HB1 GLU 437 -3.564 -3.534 4.156
33 HG2 GLU 437 HG2 GLU 437 -5.829 -3.983 3.574
34 HG3 GLU 437 HG1 GLU 437 -5.362 -5.387 2.615
35 H ARG 438 HN ARG 438 -1.647 -3.985 0.272
36 HA ARG 438 HA ARG 438 -3.492 -5.631 -1.302
37 HB2 ARG 438 HB2 ARG 438 -0.913 -4.268 -2.130
38 HB3 ARG 438 HB1 ARG 438 -1.908 -5.273 -3.185
39 HG2 ARG 438 HG2 ARG 438 -3.789 -3.573 -2.447
40 HG3 ARG 438 HG1 ARG 438 -2.397 -2.538 -2.138
41 HD2 ARG 438 HD2 ARG 438 -2.979 -2.022 -4.332
42 HD3 ARG 438 HD1 ARG 438 -1.658 -3.175 -4.520
43 HE ARG 438 HE ARG 438 -4.221 -4.447 -4.506
44 HH11 ARG 438 HH11 ARG 438 -1.933 -2.730 -6.543
45 HH12 ARG 438 HH12 ARG 438 -2.574 -3.387 -8.023
46 HH21 ARG 438 HH21 ARG 438 -5.070 -5.279 -6.425
47 HH22 ARG 438 HH22 ARG 438 -4.392 -4.807 -7.958
48 H LYS 439 HN LYS 439 -3.346 -7.699 -1.089
49 HA LYS 439 HA LYS 439 -0.998 -8.825 0.195
50 HB2 LYS 439 HB2 LYS 439 -3.707 -10.007 -0.441
51 HB3 LYS 439 HB1 LYS 439 -2.398 -10.909 0.307
52 HG2 LYS 439 HG2 LYS 439 -3.618 -8.417 1.477
53 HG3 LYS 439 HG1 LYS 439 -4.094 -10.061 1.907
54 HD2 LYS 439 HD2 LYS 439 -1.835 -10.531 2.684
55 HD3 LYS 439 HD1 LYS 439 -1.316 -8.918 2.200
56 HE2 LYS 439 HE2 LYS 439 -1.714 -9.031 4.603
57 HE3 LYS 439 HE1 LYS 439 -2.848 -7.928 3.819
58 HZ1 LYS 439 HZ1 LYS 439 -3.517 -10.748 4.435
59 HZ2 LYS 439 HZ2 LYS 439 -4.576 -9.498 4.001
60 HZ3 LYS 439 HZ3 LYS 439 -3.818 -9.478 5.517
61 H THR 440 HN THR 440 0.503 -8.837 -1.342
62 HA THR 440 HA THR 440 0.043 -10.143 -3.894
63 HB THR 440 HB THR 440 2.770 -9.348 -2.977
64 HG1 THR 440 HG1 THR 440 1.796 -7.531 -2.297
65 HG21 THR 440 HG21 THR 440 2.357 -10.226 -5.254
66 HG22 THR 440 HG22 THR 440 2.985 -8.580 -5.267
67 HG23 THR 440 HG23 THR 440 1.267 -8.869 -5.553
68 H ALA 441 HN ALA 441 0.779 -12.141 -4.461
69 HA ALA 441 HA ALA 441 1.411 -13.983 -2.357
70 HB1 ALA 441 HB1 ALA 441 1.397 -15.678 -4.122
71 HB2 ALA 441 HB2 ALA 441 1.316 -14.406 -5.343
72 HB3 ALA 441 HB3 ALA 441 -0.023 -14.635 -4.219
73 H ASP 442 HN ASP 442 3.268 -11.798 -3.811
74 HA ASP 442 HA ASP 442 5.678 -13.351 -4.166
75 HB2 ASP 442 HB2 ASP 442 5.175 -11.297 -5.501
76 HB3 ASP 442 HB1 ASP 442 5.317 -10.344 -4.029
77 H GLY 443 HN GLY 443 3.941 -12.465 -1.557
78 HA2 GLY 443 HA2 GLY 443 4.527 -12.878 0.664
79 HA3 GLY 443 HA1 GLY 443 6.224 -12.847 0.202
80 H LYS 444 HN LYS 444 3.844 -10.347 -0.529
81 HA LYS 444 HA LYS 444 4.946 -8.619 1.517
82 HB2 LYS 444 HB2 LYS 444 5.503 -6.837 -0.180
83 HB3 LYS 444 HB1 LYS 444 6.589 -8.219 -0.137
84 HG2 LYS 444 HG2 LYS 444 5.388 -9.167 -2.078
85 HG3 LYS 444 HG1 LYS 444 4.415 -7.697 -2.150
86 HD2 LYS 444 HD2 LYS 444 6.286 -7.631 -3.740
87 HD3 LYS 444 HD1 LYS 444 6.417 -6.366 -2.520
88 HE2 LYS 444 HE2 LYS 444 8.204 -7.362 -1.472
89 HE3 LYS 444 HE1 LYS 444 7.773 -8.977 -2.034
90 HZ1 LYS 444 HZ1 LYS 444 8.662 -8.577 -4.118
91 HZ2 LYS 444 HZ2 LYS 444 9.788 -7.843 -3.080
92 HZ3 LYS 444 HZ3 LYS 444 8.666 -6.891 -3.926
93 H THR 445 HN THR 445 3.355 -7.581 2.391
94 HA THR 445 HA THR 445 0.963 -6.876 0.855
95 HB THR 445 HB THR 445 1.581 -6.521 3.802
96 HG1 THR 445 HG1 THR 445 1.407 -8.705 3.380
97 HG21 THR 445 HG21 THR 445 -0.107 -4.943 3.017
98 HG22 THR 445 HG22 THR 445 -0.843 -6.171 4.043
99 HG23 THR 445 HG23 THR 445 -1.024 -6.260 2.293
100 H TYR 446 HN TYR 446 0.512 -4.724 0.288
101 HA TYR 446 HA TYR 446 2.309 -2.711 1.378
102 HB2 TYR 446 HB2 TYR 446 2.818 -1.772 -0.853
103 HB3 TYR 446 HB1 TYR 446 3.534 -3.343 -0.570
104 HD1 TYR 446 HD1 TYR 446 0.661 -1.695 -2.293
105 HD2 TYR 446 HD2 TYR 446 3.267 -5.049 -2.133
106 HE1 TYR 446 HE1 TYR 446 -0.159 -2.426 -4.486
107 HE2 TYR 446 HE2 TYR 446 2.429 -5.807 -4.313
108 HH TYR 446 HH TYR 446 0.758 -3.887 -6.418
109 H TYR 447 HN TYR 447 1.534 -0.662 1.395
110 HA TYR 447 HA TYR 447 -1.358 -0.566 1.160
111 HB2 TYR 447 HB2 TYR 447 0.525 1.470 2.369
112 HB3 TYR 447 HB1 TYR 447 -1.230 1.438 2.527
113 HD1 TYR 447 HD1 TYR 447 -2.010 -1.129 3.272
114 HD2 TYR 447 HD2 TYR 447 1.603 0.861 4.312
115 HE1 TYR 447 HE1 TYR 447 -1.805 -2.562 5.256
116 HE2 TYR 447 HE2 TYR 447 1.818 -0.563 6.307
117 HH TYR 447 HH TYR 447 -0.071 -3.370 6.766
118 H TYR 448 HN TYR 448 -2.131 0.020 -0.720
119 HA TYR 448 HA TYR 448 -0.644 1.829 -2.426
120 HB2 TYR 448 HB2 TYR 448 -1.825 -0.233 -3.293
121 HB3 TYR 448 HB1 TYR 448 -3.349 0.574 -2.943
122 HD1 TYR 448 HD2 TYR 448 -0.290 0.733 -5.007
123 HD2 TYR 448 HD1 TYR 448 -4.242 2.203 -4.437
124 HE1 TYR 448 HE2 TYR 448 -0.205 1.804 -7.217
125 HE2 TYR 448 HE1 TYR 448 -4.166 3.281 -6.648
126 HH TYR 448 HH TYR 448 -2.613 4.045 -8.285
127 H ASN 449 HN ASN 449 -0.947 3.918 -2.446
128 HA ASN 449 HA ASN 449 -3.114 5.086 -0.895
129 HB2 ASN 449 HB2 ASN 449 -0.975 6.023 -0.424
130 HB3 ASN 449 HB1 ASN 449 -0.587 6.186 -2.133
131 HD21 ASN 449 HD21 ASN 449 -2.220 7.577 0.573
132 HD22 ASN 449 HD22 ASN 449 -2.618 9.078 -0.183
133 H ASN 450 HN ASN 450 -4.926 5.707 -1.818
134 HA ASN 450 HA ASN 450 -5.046 6.043 -4.713
135 HB2 ASN 450 HB2 ASN 450 -7.460 6.010 -4.446
136 HB3 ASN 450 HB1 ASN 450 -6.763 4.668 -3.545
137 HD21 ASN 450 HD21 ASN 450 -6.792 4.710 -1.302
138 HD22 ASN 450 HD22 ASN 450 -7.782 5.814 -0.420
139 H ARG 451 HN ARG 451 -4.416 7.983 -2.118
140 HA ARG 451 HA ARG 451 -6.087 10.210 -2.698
141 HB2 ARG 451 HB2 ARG 451 -3.617 9.971 -1.000
142 HB3 ARG 451 HB1 ARG 451 -4.553 11.450 -1.151
143 HG2 ARG 451 HG2 ARG 451 -5.598 8.828 -0.094
144 HG3 ARG 451 HG1 ARG 451 -5.102 10.206 0.887
145 HD2 ARG 451 HD2 ARG 451 -7.445 10.351 0.755
146 HD3 ARG 451 HD1 ARG 451 -6.844 11.551 -0.387
147 HE ARG 451 HE ARG 451 -7.768 8.883 -1.252
148 HH11 ARG 451 HH11 ARG 451 -7.752 12.378 -1.566
149 HH12 ARG 451 HH12 ARG 451 -8.793 12.373 -2.961
150 HH21 ARG 451 HH21 ARG 451 -9.122 8.877 -3.072
151 HH22 ARG 451 HH22 ARG 451 -9.576 10.379 -3.824
152 H THR 452 HN THR 452 -2.636 9.607 -3.166
153 HA THR 452 HA THR 452 -2.628 11.709 -5.243
154 HB THR 452 HB THR 452 -1.333 12.346 -3.210
155 HG1 THR 452 HG1 THR 452 -0.410 12.293 -5.766
156 HG21 THR 452 HG21 THR 452 -0.593 10.131 -2.506
157 HG22 THR 452 HG22 THR 452 0.786 11.205 -2.729
158 HG23 THR 452 HG23 THR 452 0.408 9.995 -3.952
159 H ALA 453 HN ALA 453 -2.609 8.505 -4.836
160 HA ALA 453 HA ALA 453 -1.967 6.679 -5.985
161 HB1 ALA 453 HB1 ALA 453 -1.072 8.639 -8.096
162 HB2 ALA 453 HB2 ALA 453 -2.649 7.857 -7.988
163 HB3 ALA 453 HB3 ALA 453 -1.210 6.893 -8.308
164 H GLU 454 HN GLU 454 -0.494 6.135 -4.423
165 HA GLU 454 HA GLU 454 2.296 6.296 -5.202
166 HB2 GLU 454 HB2 GLU 454 1.954 8.332 -3.873
167 HB3 GLU 454 HB1 GLU 454 1.283 7.377 -2.561
168 HG2 GLU 454 HG2 GLU 454 3.594 8.076 -2.149
169 HG3 GLU 454 HG1 GLU 454 3.407 6.324 -2.176
170 H SER 455 HN SER 455 3.480 4.572 -4.448
171 HA SER 455 HA SER 455 1.984 2.501 -3.057
172 HB2 SER 455 HB2 SER 455 4.048 1.119 -3.548
173 HB3 SER 455 HB1 SER 455 3.181 1.704 -4.963
174 HG SER 455 HG SER 455 5.232 3.304 -3.948
175 H THR 456 HN THR 456 1.951 2.609 -0.941
176 HA THR 456 HA THR 456 4.144 3.882 0.498
177 HB THR 456 HB THR 456 1.492 2.910 1.577
178 HG1 THR 456 HG1 THR 456 0.935 4.481 0.162
179 HG21 THR 456 HG21 THR 456 3.186 3.280 3.296
180 HG22 THR 456 HG22 THR 456 1.938 4.524 3.381
181 HG23 THR 456 HG23 THR 456 3.503 4.892 2.654
182 H TRP 457 HN TRP 457 5.763 2.578 1.005
183 HA TRP 457 HA TRP 457 5.165 -0.198 1.785
184 HB2 TRP 457 HB2 TRP 457 7.694 1.073 0.721
185 HB3 TRP 457 HB1 TRP 457 7.621 -0.575 1.342
186 HD1 TRP 457 HD1 TRP 457 6.429 1.571 -1.605
187 HE1 TRP 457 HE1 TRP 457 5.710 0.005 -3.518
188 HE3 TRP 457 HE3 TRP 457 6.813 -2.916 0.824
189 HZ2 TRP 457 HZ2 TRP 457 5.325 -2.750 -3.930
190 HZ3 TRP 457 HZ3 TRP 457 6.259 -4.974 -0.408
191 HH2 TRP 457 HH2 TRP 457 5.539 -4.895 -2.742
192 H GLU 458 HN GLU 458 5.751 2.741 3.079
193 HA GLU 458 HA GLU 458 7.304 1.819 5.357
194 HB2 GLU 458 HB2 GLU 458 7.045 4.197 6.111
195 HB3 GLU 458 HB1 GLU 458 7.843 4.016 4.557
196 HG2 GLU 458 HG2 GLU 458 5.450 4.377 3.601
197 HG3 GLU 458 HG1 GLU 458 5.135 5.084 5.185
198 H LYS 459 HN LYS 459 6.478 1.520 7.395
199 HA LYS 459 HA LYS 459 3.618 0.981 7.451
200 HB2 LYS 459 HB2 LYS 459 5.126 -0.777 8.185
201 HB3 LYS 459 HB1 LYS 459 5.839 0.291 9.384
202 HG2 LYS 459 HG2 LYS 459 4.300 -1.305 10.396
203 HG3 LYS 459 HG1 LYS 459 3.739 0.354 10.602
204 HD2 LYS 459 HD2 LYS 459 2.134 0.084 8.823
205 HD3 LYS 459 HD1 LYS 459 2.763 -1.524 8.455
206 HE2 LYS 459 HE2 LYS 459 2.028 -2.354 10.592
207 HE3 LYS 459 HE1 LYS 459 1.540 -0.735 11.094
208 HZ1 LYS 459 HZ1 LYS 459 0.348 -2.143 8.765
209 HZ2 LYS 459 HZ2 LYS 459 -0.210 -0.729 9.521
210 HZ3 LYS 459 HZ3 LYS 459 -0.300 -2.213 10.330
211 HA PRO 460 HA PRO 460 3.109 4.702 9.924
212 HB2 PRO 460 HB2 PRO 460 0.481 5.012 9.411
213 HB3 PRO 460 HB1 PRO 460 1.731 5.471 8.247
214 HG2 PRO 460 HG2 PRO 460 -0.092 3.129 8.250
215 HG3 PRO 460 HG1 PRO 460 0.619 4.003 6.883
216 HD2 PRO 460 HD2 PRO 460 1.500 1.558 7.972
217 HD3 PRO 460 HD1 PRO 460 2.359 2.561 6.788