Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584347 | 2mwd RC | 25313 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 433 HT1 SER 433 9.575 -1.131 8.579
2 H2 SER 433 HT2 SER 433 10.587 0.098 7.993
3 H3 SER 433 HT3 SER 433 10.874 -1.519 7.562
4 HA SER 433 HA SER 433 8.529 0.110 6.793
5 HB2 SER 433 HB2 SER 433 10.817 -0.995 5.140
6 HB3 SER 433 HB1 SER 433 9.436 -0.098 4.510
7 HG SER 433 HG SER 433 10.133 1.649 5.948
8 H GLU 434 HN GLU 434 6.816 -1.156 6.922
9 HA GLU 434 HA GLU 434 7.082 -3.988 6.151
10 HB2 GLU 434 HB2 GLU 434 5.090 -2.655 7.998
11 HB3 GLU 434 HB1 GLU 434 5.029 -4.345 7.526
12 HG2 GLU 434 HG2 GLU 434 5.973 -4.192 9.709
13 HG3 GLU 434 HG1 GLU 434 7.244 -4.675 8.590
14 H TRP 435 HN TRP 435 4.840 -1.238 6.080
15 HA TRP 435 HA TRP 435 3.649 -2.350 3.626
16 HB2 TRP 435 HB2 TRP 435 2.329 -0.671 5.783
17 HB3 TRP 435 HB1 TRP 435 1.556 -1.188 4.288
18 HD1 TRP 435 HD1 TRP 435 1.585 -2.120 7.764
19 HE1 TRP 435 HE1 TRP 435 0.931 -4.594 8.109
20 HE3 TRP 435 HE3 TRP 435 2.161 -3.792 2.981
21 HZ2 TRP 435 HZ2 TRP 435 0.697 -6.930 6.561
22 HZ3 TRP 435 HZ3 TRP 435 1.709 -6.153 2.500
23 HH2 TRP 435 HH2 TRP 435 0.996 -7.692 4.237
24 H THR 436 HN THR 436 3.472 -0.984 1.868
25 HA THR 436 HA THR 436 4.918 1.531 2.086
26 HB THR 436 HB THR 436 3.806 0.080 -0.325
27 HG1 THR 436 HG1 THR 436 6.122 -0.118 1.114
28 HG21 THR 436 HG21 THR 436 5.146 1.673 -1.658
29 HG22 THR 436 HG22 THR 436 5.539 2.557 -0.183
30 HG23 THR 436 HG23 THR 436 3.868 2.484 -0.748
31 H GLU 437 HN GLU 437 3.623 3.031 3.016
32 HA GLU 437 HA GLU 437 0.967 3.503 1.919
33 HB2 GLU 437 HB2 GLU 437 2.444 5.132 3.998
34 HB3 GLU 437 HB1 GLU 437 0.733 5.214 3.613
35 HG2 GLU 437 HG2 GLU 437 0.481 2.895 4.445
36 HG3 GLU 437 HG1 GLU 437 2.178 2.923 4.923
37 H ARG 438 HN ARG 438 1.200 4.310 -0.124
38 HA ARG 438 HA ARG 438 2.879 6.716 -0.370
39 HB2 ARG 438 HB2 ARG 438 3.845 4.779 -1.580
40 HB3 ARG 438 HB1 ARG 438 2.357 4.633 -2.507
41 HG2 ARG 438 HG2 ARG 438 2.759 6.975 -3.323
42 HG3 ARG 438 HG1 ARG 438 4.355 6.878 -2.578
43 HD2 ARG 438 HD2 ARG 438 3.323 4.928 -4.624
44 HD3 ARG 438 HD1 ARG 438 4.298 6.340 -5.021
45 HE ARG 438 HE ARG 438 5.834 5.079 -3.206
46 HH11 ARG 438 HH11 ARG 438 4.131 3.888 -6.018
47 HH12 ARG 438 HH12 ARG 438 5.351 2.728 -6.435
48 HH21 ARG 438 HH21 ARG 438 7.443 3.532 -3.729
49 HH22 ARG 438 HH22 ARG 438 7.228 2.507 -5.113
50 H LYS 439 HN LYS 439 1.970 8.429 -1.748
51 HA LYS 439 HA LYS 439 -0.923 8.195 -1.989
52 HB2 LYS 439 HB2 LYS 439 0.892 10.596 -2.220
53 HB3 LYS 439 HB1 LYS 439 -0.860 10.645 -2.372
54 HG2 LYS 439 HG2 LYS 439 -0.956 9.677 -0.036
55 HG3 LYS 439 HG1 LYS 439 0.774 10.015 0.068
56 HD2 LYS 439 HD2 LYS 439 0.332 12.376 -0.416
57 HD3 LYS 439 HD1 LYS 439 -1.398 12.033 -0.489
58 HE2 LYS 439 HE2 LYS 439 -1.200 11.172 1.873
59 HE3 LYS 439 HE1 LYS 439 0.429 11.848 1.895
60 HZ1 LYS 439 HZ1 LYS 439 -1.022 13.450 2.832
61 HZ2 LYS 439 HZ2 LYS 439 -2.127 13.308 1.553
62 HZ3 LYS 439 HZ3 LYS 439 -0.612 14.018 1.283
63 H THR 440 HN THR 440 -1.753 7.588 -3.813
64 HA THR 440 HA THR 440 -0.379 8.058 -6.329
65 HB THR 440 HB THR 440 -1.499 5.884 -6.004
66 HG1 THR 440 HG1 THR 440 -1.466 6.247 -8.121
67 HG21 THR 440 HG21 THR 440 -3.946 5.730 -6.031
68 HG22 THR 440 HG22 THR 440 -4.060 7.489 -5.964
69 HG23 THR 440 HG23 THR 440 -3.374 6.598 -4.606
70 H ALA 441 HN ALA 441 -1.380 9.184 -8.076
71 HA ALA 441 HA ALA 441 -2.083 11.775 -7.299
72 HB1 ALA 441 HB1 ALA 441 -0.913 11.251 -9.375
73 HB2 ALA 441 HB2 ALA 441 -2.345 12.237 -9.668
74 HB3 ALA 441 HB3 ALA 441 -2.379 10.508 -10.015
75 H ASP 442 HN ASP 442 -4.108 9.061 -7.609
76 HA ASP 442 HA ASP 442 -6.524 10.355 -8.368
77 HB2 ASP 442 HB2 ASP 442 -6.136 7.870 -8.430
78 HB3 ASP 442 HB1 ASP 442 -6.222 7.863 -6.672
79 H GLY 443 HN GLY 443 -4.618 10.658 -5.650
80 HA2 GLY 443 HA2 GLY 443 -5.028 12.113 -3.854
81 HA3 GLY 443 HA1 GLY 443 -6.748 12.040 -4.213
82 H LYS 444 HN LYS 444 -4.914 9.130 -4.046
83 HA LYS 444 HA LYS 444 -6.178 8.513 -1.453
84 HB2 LYS 444 HB2 LYS 444 -5.881 6.781 -3.904
85 HB3 LYS 444 HB1 LYS 444 -6.228 6.117 -2.315
86 HG2 LYS 444 HG2 LYS 444 -8.295 7.422 -2.224
87 HG3 LYS 444 HG1 LYS 444 -7.948 8.073 -3.829
88 HD2 LYS 444 HD2 LYS 444 -8.073 5.863 -4.800
89 HD3 LYS 444 HD1 LYS 444 -8.260 5.136 -3.204
90 HE2 LYS 444 HE2 LYS 444 -10.394 5.300 -4.429
91 HE3 LYS 444 HE1 LYS 444 -10.406 6.209 -2.918
92 HZ1 LYS 444 HZ1 LYS 444 -10.191 8.230 -4.073
93 HZ2 LYS 444 HZ2 LYS 444 -11.389 7.360 -4.900
94 HZ3 LYS 444 HZ3 LYS 444 -9.816 7.464 -5.539
95 H THR 445 HN THR 445 -4.915 7.601 0.062
96 HA THR 445 HA THR 445 -2.115 7.123 -0.578
97 HB THR 445 HB THR 445 -3.453 6.786 2.112
98 HG1 THR 445 HG1 THR 445 -3.443 8.996 0.871
99 HG21 THR 445 HG21 THR 445 -1.291 6.858 3.021
100 HG22 THR 445 HG22 THR 445 -0.602 7.553 1.556
101 HG23 THR 445 HG23 THR 445 -1.096 5.863 1.574
102 H TYR 446 HN TYR 446 -1.921 5.207 -1.662
103 HA TYR 446 HA TYR 446 -3.615 2.994 -0.834
104 HB2 TYR 446 HB2 TYR 446 -2.966 1.895 -2.882
105 HB3 TYR 446 HB1 TYR 446 -3.475 3.536 -3.238
106 HD1 TYR 446 HD1 TYR 446 -1.569 5.291 -3.519
107 HD2 TYR 446 HD2 TYR 446 -0.978 1.086 -3.732
108 HE1 TYR 446 HE1 TYR 446 0.495 5.652 -4.807
109 HE2 TYR 446 HE2 TYR 446 1.094 1.433 -5.009
110 HH TYR 446 HH TYR 446 1.966 3.373 -6.595
111 H TYR 447 HN TYR 447 -2.846 1.078 -0.017
112 HA TYR 447 HA TYR 447 -0.075 1.188 0.906
113 HB2 TYR 447 HB2 TYR 447 -2.026 -0.818 1.959
114 HB3 TYR 447 HB1 TYR 447 -0.708 0.009 2.789
115 HD1 TYR 447 HD1 TYR 447 -1.075 2.677 2.930
116 HD2 TYR 447 HD2 TYR 447 -4.165 -0.218 2.538
117 HE1 TYR 447 HE1 TYR 447 -2.696 4.288 3.845
118 HE2 TYR 447 HE2 TYR 447 -5.788 1.381 3.446
119 HH TYR 447 HH TYR 447 -5.046 4.717 3.870
120 H TYR 448 HN TYR 448 0.926 0.447 -0.916
121 HA TYR 448 HA TYR 448 0.098 -2.058 -2.085
122 HB2 TYR 448 HB2 TYR 448 0.863 -0.175 -3.497
123 HB3 TYR 448 HB1 TYR 448 2.452 -0.275 -2.750
124 HD1 TYR 448 HD1 TYR 448 0.011 -2.432 -4.573
125 HD2 TYR 448 HD2 TYR 448 4.097 -1.492 -3.845
126 HE1 TYR 448 HE1 TYR 448 0.685 -4.061 -6.285
127 HE2 TYR 448 HE2 TYR 448 4.782 -3.120 -5.555
128 HH TYR 448 HH TYR 448 3.879 -5.143 -6.636
129 H ASN 449 HN ASN 449 1.029 -3.962 -1.797
130 HA ASN 449 HA ASN 449 3.288 -4.115 0.071
131 HB2 ASN 449 HB2 ASN 449 1.382 -5.041 1.111
132 HB3 ASN 449 HB1 ASN 449 0.873 -5.855 -0.360
133 HD21 ASN 449 HD21 ASN 449 0.667 -7.730 0.880
134 HD22 ASN 449 HD22 ASN 449 2.048 -8.690 1.296
135 H ASN 450 HN ASN 450 5.098 -4.582 -0.932
136 HA ASN 450 HA ASN 450 5.033 -6.335 -3.284
137 HB2 ASN 450 HB2 ASN 450 7.257 -5.430 -3.803
138 HB3 ASN 450 HB1 ASN 450 6.070 -4.142 -3.633
139 HD21 ASN 450 HD21 ASN 450 8.919 -3.950 -3.432
140 HD22 ASN 450 HD22 ASN 450 9.264 -3.359 -1.839
141 H ARG 451 HN ARG 451 5.361 -6.622 -0.082
142 HA ARG 451 HA ARG 451 7.689 -8.274 0.113
143 HB2 ARG 451 HB2 ARG 451 5.449 -7.547 1.933
144 HB3 ARG 451 HB1 ARG 451 6.349 -9.011 2.293
145 HG2 ARG 451 HG2 ARG 451 7.258 -7.185 3.551
146 HG3 ARG 451 HG1 ARG 451 8.430 -7.690 2.335
147 HD2 ARG 451 HD2 ARG 451 7.758 -5.818 0.911
148 HD3 ARG 451 HD1 ARG 451 6.574 -5.320 2.122
149 HE ARG 451 HE ARG 451 8.950 -5.411 3.482
150 HH11 ARG 451 HH11 ARG 451 7.819 -3.714 0.626
151 HH12 ARG 451 HH12 ARG 451 8.889 -2.368 0.861
152 HH21 ARG 451 HH21 ARG 451 10.362 -3.643 3.767
153 HH22 ARG 451 HH22 ARG 451 10.333 -2.327 2.630
154 H THR 452 HN THR 452 4.200 -8.902 -0.010
155 HA THR 452 HA THR 452 4.837 -11.636 -0.889
156 HB THR 452 HB THR 452 2.436 -12.140 -0.078
157 HG1 THR 452 HG1 THR 452 1.527 -10.717 1.284
158 HG21 THR 452 HG21 THR 452 4.446 -13.024 1.004
159 HG22 THR 452 HG22 THR 452 3.223 -12.588 2.198
160 HG23 THR 452 HG23 THR 452 4.611 -11.534 1.930
161 H LEU 453 HN LEU 453 3.881 -8.734 -1.983
162 HA LEU 453 HA LEU 453 3.067 -7.996 -3.954
163 HB2 LEU 453 HB2 LEU 453 2.830 -10.918 -4.668
164 HB3 LEU 453 HB1 LEU 453 2.595 -9.586 -5.784
165 HG LEU 453 HG LEU 453 5.179 -10.190 -4.344
166 HD11 LEU 453 HD11 LEU 453 4.626 -11.914 -5.979
167 HD12 LEU 453 HD12 LEU 453 5.989 -10.933 -6.520
168 HD13 LEU 453 HD13 LEU 453 4.387 -10.676 -7.212
169 HD21 LEU 453 HD21 LEU 453 4.899 -7.823 -4.862
170 HD22 LEU 453 HD22 LEU 453 4.538 -8.224 -6.542
171 HD23 LEU 453 HD23 LEU 453 6.140 -8.551 -5.882
172 H GLU 454 HN GLU 454 1.370 -7.214 -2.617
173 HA GLU 454 HA GLU 454 -1.242 -8.216 -3.396
174 HB2 GLU 454 HB2 GLU 454 -0.732 -9.511 -1.383
175 HB3 GLU 454 HB1 GLU 454 -0.347 -8.037 -0.509
176 HG2 GLU 454 HG2 GLU 454 -2.604 -7.359 -0.472
177 HG3 GLU 454 HG1 GLU 454 -3.064 -8.578 -1.656
178 H SER 455 HN SER 455 -2.772 -6.567 -3.452
179 HA SER 455 HA SER 455 -1.768 -3.910 -2.711
180 HB2 SER 455 HB2 SER 455 -3.719 -3.114 -4.145
181 HB3 SER 455 HB1 SER 455 -2.414 -3.944 -4.991
182 HG SER 455 HG SER 455 -4.491 -5.543 -4.070
183 H THR 456 HN THR 456 -2.436 -3.105 -0.831
184 HA THR 456 HA THR 456 -4.986 -4.076 0.279
185 HB THR 456 HB THR 456 -2.702 -2.914 1.874
186 HG1 THR 456 HG1 THR 456 -3.209 -5.668 1.298
187 HG21 THR 456 HG21 THR 456 -4.838 -2.987 3.021
188 HG22 THR 456 HG22 THR 456 -3.764 -4.214 3.694
189 HG23 THR 456 HG23 THR 456 -5.046 -4.681 2.579
190 H TRP 457 HN TRP 457 -6.565 -2.586 0.495
191 HA TRP 457 HA TRP 457 -5.743 0.244 0.485
192 HB2 TRP 457 HB2 TRP 457 -8.205 -1.045 -0.704
193 HB3 TRP 457 HB1 TRP 457 -7.960 0.701 -0.598
194 HD1 TRP 457 HD1 TRP 457 -6.239 -2.402 -2.172
195 HE1 TRP 457 HE1 TRP 457 -4.948 -1.632 -4.257
196 HE3 TRP 457 HE3 TRP 457 -7.152 2.629 -1.895
197 HZ2 TRP 457 HZ2 TRP 457 -4.368 0.763 -5.586
198 HZ3 TRP 457 HZ3 TRP 457 -6.199 4.087 -3.636
199 HH2 TRP 457 HH2 TRP 457 -4.846 3.168 -5.451
200 H GLU 458 HN GLU 458 -6.946 -2.079 2.462
201 HA GLU 458 HA GLU 458 -8.114 -0.052 4.235
202 HB2 GLU 458 HB2 GLU 458 -9.260 -2.010 5.360
203 HB3 GLU 458 HB1 GLU 458 -9.863 -1.598 3.764
204 HG2 GLU 458 HG2 GLU 458 -7.864 -3.793 4.240
205 HG3 GLU 458 HG1 GLU 458 -9.606 -4.055 4.273
206 H LYS 459 HN LYS 459 -6.858 0.393 5.956
207 HA LYS 459 HA LYS 459 -4.416 -0.977 6.375
208 HB2 LYS 459 HB2 LYS 459 -5.844 1.031 8.107
209 HB3 LYS 459 HB1 LYS 459 -4.220 0.435 8.424
210 HG2 LYS 459 HG2 LYS 459 -3.630 1.251 6.096
211 HG3 LYS 459 HG1 LYS 459 -5.176 2.098 6.121
212 HD2 LYS 459 HD2 LYS 459 -3.428 3.612 6.798
213 HD3 LYS 459 HD1 LYS 459 -4.459 3.259 8.185
214 HE2 LYS 459 HE2 LYS 459 -2.852 1.815 9.139
215 HE3 LYS 459 HE1 LYS 459 -1.914 1.753 7.647
216 HZ1 LYS 459 HZ1 LYS 459 -2.302 4.249 9.198
217 HZ2 LYS 459 HZ2 LYS 459 -1.179 3.952 7.952
218 HZ3 LYS 459 HZ3 LYS 459 -0.998 3.196 9.460
219 HA PRO 460 HA PRO 460 -5.878 -4.541 8.735
220 HB2 PRO 460 HB2 PRO 460 -3.019 -4.341 9.579
221 HB3 PRO 460 HB1 PRO 460 -3.942 -5.759 9.072
222 HG2 PRO 460 HG2 PRO 460 -2.207 -4.573 7.423
223 HG3 PRO 460 HG1 PRO 460 -3.727 -5.262 6.826
224 HD2 PRO 460 HD2 PRO 460 -2.945 -2.422 7.172
225 HD3 PRO 460 HD1 PRO 460 -4.098 -3.164 6.039
Start of MODEL 2
1 H1 SER 433 HT1 SER 433 8.798 -1.293 7.810
2 H2 SER 433 HT2 SER 433 7.959 -2.724 7.467
3 H3 SER 433 HT3 SER 433 7.386 -1.241 6.876
4 HA SER 433 HA SER 433 9.281 -0.993 5.463
5 HB2 SER 433 HB2 SER 433 10.138 -3.684 6.561
6 HB3 SER 433 HB1 SER 433 10.979 -2.749 5.324
7 HG SER 433 HG SER 433 11.845 -1.561 6.825
8 H GLU 434 HN GLU 434 6.913 -3.296 6.165
9 HA GLU 434 HA GLU 434 7.059 -4.534 3.530
10 HB2 GLU 434 HB2 GLU 434 5.199 -5.997 4.456
11 HB3 GLU 434 HB1 GLU 434 6.773 -6.152 5.216
12 HG2 GLU 434 HG2 GLU 434 4.708 -4.333 6.376
13 HG3 GLU 434 HG1 GLU 434 4.653 -6.066 6.684
14 H TRP 435 HN TRP 435 5.277 -2.127 5.225
15 HA TRP 435 HA TRP 435 3.095 -2.283 3.264
16 HB2 TRP 435 HB2 TRP 435 3.145 -0.751 5.873
17 HB3 TRP 435 HB1 TRP 435 1.751 -1.010 4.831
18 HD1 TRP 435 HD1 TRP 435 2.495 -2.036 8.015
19 HE1 TRP 435 HE1 TRP 435 1.841 -4.473 8.562
20 HE3 TRP 435 HE3 TRP 435 2.077 -3.837 3.258
21 HZ2 TRP 435 HZ2 TRP 435 1.247 -6.841 7.144
22 HZ3 TRP 435 HZ3 TRP 435 1.490 -6.195 2.939
23 HH2 TRP 435 HH2 TRP 435 1.078 -7.669 4.828
24 H THR 436 HN THR 436 3.185 -0.826 1.612
25 HA THR 436 HA THR 436 4.834 1.556 1.914
26 HB THR 436 HB THR 436 3.408 0.422 -0.501
27 HG1 THR 436 HG1 THR 436 5.202 -0.813 0.155
28 HG21 THR 436 HG21 THR 436 5.326 2.750 -0.304
29 HG22 THR 436 HG22 THR 436 3.612 2.844 -0.708
30 HG23 THR 436 HG23 THR 436 4.737 2.039 -1.805
31 H GLU 437 HN GLU 437 3.819 3.222 2.884
32 HA GLU 437 HA GLU 437 1.016 3.775 2.304
33 HB2 GLU 437 HB2 GLU 437 2.858 5.563 3.884
34 HB3 GLU 437 HB1 GLU 437 1.112 5.429 3.996
35 HG2 GLU 437 HG2 GLU 437 2.988 3.237 4.823
36 HG3 GLU 437 HG1 GLU 437 2.433 4.500 5.916
37 H ARG 438 HN ARG 438 0.994 4.419 0.128
38 HA ARG 438 HA ARG 438 2.663 6.765 -0.483
39 HB2 ARG 438 HB2 ARG 438 3.557 4.818 -1.642
40 HB3 ARG 438 HB1 ARG 438 1.975 4.464 -2.325
41 HG2 ARG 438 HG2 ARG 438 2.047 6.568 -3.574
42 HG3 ARG 438 HG1 ARG 438 3.641 6.906 -2.899
43 HD2 ARG 438 HD2 ARG 438 2.994 4.464 -4.534
44 HD3 ARG 438 HD1 ARG 438 3.642 5.951 -5.216
45 HE ARG 438 HE ARG 438 5.115 4.533 -3.104
46 HH11 ARG 438 HH11 ARG 438 4.865 5.705 -6.386
47 HH12 ARG 438 HH12 ARG 438 6.549 5.458 -6.750
48 HH21 ARG 438 HH21 ARG 438 7.332 4.138 -3.583
49 HH22 ARG 438 HH22 ARG 438 7.944 4.551 -5.160
50 H LYS 439 HN LYS 439 1.653 8.405 -1.869
51 HA LYS 439 HA LYS 439 -1.244 8.038 -2.137
52 HB2 LYS 439 HB2 LYS 439 -0.719 9.581 -0.299
53 HB3 LYS 439 HB1 LYS 439 0.234 10.569 -1.396
54 HG2 LYS 439 HG2 LYS 439 -1.766 11.083 -2.691
55 HG3 LYS 439 HG1 LYS 439 -2.729 10.078 -1.608
56 HD2 LYS 439 HD2 LYS 439 -1.142 12.493 -0.743
57 HD3 LYS 439 HD1 LYS 439 -2.871 12.507 -1.103
58 HE2 LYS 439 HE2 LYS 439 -3.248 10.869 0.677
59 HE3 LYS 439 HE1 LYS 439 -1.520 10.854 1.032
60 HZ1 LYS 439 HZ1 LYS 439 -1.632 13.143 1.685
61 HZ2 LYS 439 HZ2 LYS 439 -2.813 12.285 2.540
62 HZ3 LYS 439 HZ3 LYS 439 -3.261 13.254 1.223
63 H THR 440 HN THR 440 -1.812 7.985 -4.159
64 HA THR 440 HA THR 440 -0.235 9.320 -6.207
65 HB THR 440 HB THR 440 -1.000 7.092 -6.753
66 HG1 THR 440 HG1 THR 440 -1.005 8.680 -8.460
67 HG21 THR 440 HG21 THR 440 -3.378 6.537 -6.954
68 HG22 THR 440 HG22 THR 440 -3.805 8.135 -6.343
69 HG23 THR 440 HG23 THR 440 -2.965 6.988 -5.300
70 H ALA 441 HN ALA 441 -1.128 10.871 -7.662
71 HA ALA 441 HA ALA 441 -2.555 12.923 -6.360
72 HB1 ALA 441 HB1 ALA 441 -2.469 14.102 -8.475
73 HB2 ALA 441 HB2 ALA 441 -2.037 12.611 -9.313
74 HB3 ALA 441 HB3 ALA 441 -0.922 13.322 -8.146
75 H ASP 442 HN ASP 442 -3.746 10.119 -7.742
76 HA ASP 442 HA ASP 442 -6.251 11.047 -8.721
77 HB2 ASP 442 HB2 ASP 442 -5.247 8.811 -9.239
78 HB3 ASP 442 HB1 ASP 442 -5.566 8.322 -7.580
79 H GLY 443 HN GLY 443 -4.924 10.992 -5.659
80 HA2 GLY 443 HA2 GLY 443 -5.937 11.846 -3.727
81 HA3 GLY 443 HA1 GLY 443 -7.515 11.557 -4.451
82 H LYS 444 HN LYS 444 -5.028 9.127 -4.399
83 HA LYS 444 HA LYS 444 -6.618 7.626 -2.428
84 HB2 LYS 444 HB2 LYS 444 -5.232 6.438 -4.841
85 HB3 LYS 444 HB1 LYS 444 -6.254 5.595 -3.685
86 HG2 LYS 444 HG2 LYS 444 -7.185 7.758 -5.559
87 HG3 LYS 444 HG1 LYS 444 -7.378 6.026 -5.822
88 HD2 LYS 444 HD2 LYS 444 -8.731 5.865 -3.795
89 HD3 LYS 444 HD1 LYS 444 -8.528 7.597 -3.519
90 HE2 LYS 444 HE2 LYS 444 -9.843 6.358 -5.935
91 HE3 LYS 444 HE1 LYS 444 -10.697 7.043 -4.554
92 HZ1 LYS 444 HZ1 LYS 444 -10.578 8.615 -6.376
93 HZ2 LYS 444 HZ2 LYS 444 -8.887 8.528 -6.384
94 HZ3 LYS 444 HZ3 LYS 444 -9.694 9.188 -5.048
95 H THR 445 HN THR 445 -5.420 7.339 -0.661
96 HA THR 445 HA THR 445 -2.550 6.925 -0.871
97 HB THR 445 HB THR 445 -4.248 6.712 1.619
98 HG1 THR 445 HG1 THR 445 -4.619 8.770 0.896
99 HG21 THR 445 HG21 THR 445 -1.972 5.823 1.789
100 HG22 THR 445 HG22 THR 445 -2.150 7.288 2.755
101 HG23 THR 445 HG23 THR 445 -1.324 7.352 1.198
102 H TYR 446 HN TYR 446 -2.069 4.930 -1.688
103 HA TYR 446 HA TYR 446 -3.711 2.690 -0.746
104 HB2 TYR 446 HB2 TYR 446 -3.120 1.489 -2.739
105 HB3 TYR 446 HB1 TYR 446 -3.745 3.066 -3.184
106 HD1 TYR 446 HD1 TYR 446 -2.228 4.775 -4.135
107 HD2 TYR 446 HD2 TYR 446 -0.869 0.848 -3.215
108 HE1 TYR 446 HE1 TYR 446 -0.257 5.123 -5.566
109 HE2 TYR 446 HE2 TYR 446 1.106 1.190 -4.635
110 HH TYR 446 HH TYR 446 1.912 4.290 -5.964
111 H TYR 447 HN TYR 447 -2.757 0.787 -0.076
112 HA TYR 447 HA TYR 447 -0.010 1.191 0.870
113 HB2 TYR 447 HB2 TYR 447 -1.867 -0.740 2.195
114 HB3 TYR 447 HB1 TYR 447 -0.577 0.235 2.897
115 HD1 TYR 447 HD1 TYR 447 -1.012 2.839 2.907
116 HD2 TYR 447 HD2 TYR 447 -4.060 -0.100 2.506
117 HE1 TYR 447 HE1 TYR 447 -2.696 4.495 3.606
118 HE2 TYR 447 HE2 TYR 447 -5.746 1.538 3.206
119 HH TYR 447 HH TYR 447 -5.875 3.622 4.478
120 H TYR 448 HN TYR 448 1.123 0.184 -0.731
121 HA TYR 448 HA TYR 448 0.263 -2.410 -1.661
122 HB2 TYR 448 HB2 TYR 448 1.153 -0.811 -3.281
123 HB3 TYR 448 HB1 TYR 448 2.679 -0.748 -2.406
124 HD1 TYR 448 HD1 TYR 448 0.431 -3.260 -4.030
125 HD2 TYR 448 HD2 TYR 448 4.421 -2.059 -3.172
126 HE1 TYR 448 HE1 TYR 448 1.279 -5.135 -5.376
127 HE2 TYR 448 HE2 TYR 448 5.280 -3.930 -4.516
128 HH TYR 448 HH TYR 448 4.595 -6.059 -5.364
129 H ASN 449 HN ASN 449 1.093 -4.304 -1.145
130 HA ASN 449 HA ASN 449 2.924 -4.494 1.104
131 HB2 ASN 449 HB2 ASN 449 0.818 -5.776 1.101
132 HB3 ASN 449 HB1 ASN 449 1.283 -6.564 -0.397
133 HD21 ASN 449 HD21 ASN 449 0.540 -7.936 1.870
134 HD22 ASN 449 HD22 ASN 449 1.911 -8.815 2.466
135 H ASN 450 HN ASN 450 5.023 -4.749 0.738
136 HA ASN 450 HA ASN 450 5.908 -5.391 -1.971
137 HB2 ASN 450 HB2 ASN 450 6.745 -3.343 -0.794
138 HB3 ASN 450 HB1 ASN 450 7.522 -4.386 0.390
139 HD21 ASN 450 HD21 ASN 450 9.566 -3.629 -0.097
140 HD22 ASN 450 HD22 ASN 450 10.376 -4.016 -1.575
141 H ARG 451 HN ARG 451 5.305 -6.992 0.842
142 HA ARG 451 HA ARG 451 7.553 -8.833 0.484
143 HB2 ARG 451 HB2 ARG 451 5.741 -8.500 2.858
144 HB3 ARG 451 HB1 ARG 451 7.055 -9.662 2.748
145 HG2 ARG 451 HG2 ARG 451 7.406 -6.675 2.557
146 HG3 ARG 451 HG1 ARG 451 7.618 -7.613 4.031
147 HD2 ARG 451 HD2 ARG 451 9.773 -7.195 3.040
148 HD3 ARG 451 HD1 ARG 451 9.400 -8.910 2.900
149 HE ARG 451 HE ARG 451 8.555 -7.829 0.533
150 HH11 ARG 451 HH11 ARG 451 11.599 -7.728 2.263
151 HH12 ARG 451 HH12 ARG 451 12.565 -7.785 0.814
152 HH21 ARG 451 HH21 ARG 451 9.806 -7.894 -1.359
153 HH22 ARG 451 HH22 ARG 451 11.539 -7.884 -1.253
154 H THR 452 HN THR 452 4.137 -8.636 0.174
155 HA THR 452 HA THR 452 4.092 -11.517 -0.453
156 HB THR 452 HB THR 452 1.649 -9.918 0.310
157 HG1 THR 452 HG1 THR 452 3.300 -11.462 2.059
158 HG21 THR 452 HG21 THR 452 0.758 -12.122 0.906
159 HG22 THR 452 HG22 THR 452 2.284 -12.870 0.432
160 HG23 THR 452 HG23 THR 452 1.273 -12.084 -0.780
161 H LEU 453 HN LEU 453 4.216 -8.578 -1.877
162 HA LEU 453 HA LEU 453 3.649 -7.682 -3.897
163 HB2 LEU 453 HB2 LEU 453 3.088 -10.575 -4.581
164 HB3 LEU 453 HB1 LEU 453 3.179 -9.271 -5.751
165 HG LEU 453 HG LEU 453 5.454 -10.232 -4.011
166 HD11 LEU 453 HD11 LEU 453 4.945 -10.551 -6.967
167 HD12 LEU 453 HD12 LEU 453 4.887 -11.830 -5.751
168 HD13 LEU 453 HD13 LEU 453 6.414 -11.030 -6.118
169 HD21 LEU 453 HD21 LEU 453 5.395 -8.146 -6.189
170 HD22 LEU 453 HD22 LEU 453 6.838 -8.729 -5.358
171 HD23 LEU 453 HD23 LEU 453 5.603 -7.841 -4.465
172 H GLU 454 HN GLU 454 1.747 -7.776 -1.851
173 HA GLU 454 HA GLU 454 -0.822 -8.436 -3.104
174 HB2 GLU 454 HB2 GLU 454 -0.378 -9.541 -0.990
175 HB3 GLU 454 HB1 GLU 454 0.033 -8.012 -0.232
176 HG2 GLU 454 HG2 GLU 454 -2.283 -7.284 -0.445
177 HG3 GLU 454 HG1 GLU 454 -2.690 -8.817 -1.214
178 H SER 455 HN SER 455 -2.505 -6.857 -3.127
179 HA SER 455 HA SER 455 -1.578 -4.122 -2.564
180 HB2 SER 455 HB2 SER 455 -3.606 -3.563 -4.133
181 HB3 SER 455 HB1 SER 455 -2.077 -4.098 -4.830
182 HG SER 455 HG SER 455 -2.916 -6.123 -5.124
183 H THR 456 HN THR 456 -2.285 -3.447 -0.648
184 HA THR 456 HA THR 456 -4.941 -4.339 0.266
185 HB THR 456 HB THR 456 -2.620 -3.465 2.003
186 HG1 THR 456 HG1 THR 456 -2.838 -5.957 2.399
187 HG21 THR 456 HG21 THR 456 -4.746 -3.244 3.115
188 HG22 THR 456 HG22 THR 456 -3.912 -4.653 3.767
189 HG23 THR 456 HG23 THR 456 -5.225 -4.863 2.608
190 H TRP 457 HN TRP 457 -6.446 -2.772 0.451
191 HA TRP 457 HA TRP 457 -5.442 -0.000 0.429
192 HB2 TRP 457 HB2 TRP 457 -7.848 -1.205 -0.940
193 HB3 TRP 457 HB1 TRP 457 -7.604 0.538 -0.789
194 HD1 TRP 457 HD1 TRP 457 -5.264 -2.379 -1.881
195 HE1 TRP 457 HE1 TRP 457 -3.999 -1.648 -3.996
196 HE3 TRP 457 HE3 TRP 457 -7.379 2.239 -2.561
197 HZ2 TRP 457 HZ2 TRP 457 -3.890 0.546 -5.701
198 HZ3 TRP 457 HZ3 TRP 457 -6.640 3.584 -4.489
199 HH2 TRP 457 HH2 TRP 457 -4.938 2.750 -6.034
200 H GLU 458 HN GLU 458 -6.723 -2.129 2.434
201 HA GLU 458 HA GLU 458 -8.013 -0.031 4.052
202 HB2 GLU 458 HB2 GLU 458 -8.269 -3.041 4.317
203 HB3 GLU 458 HB1 GLU 458 -9.081 -1.848 5.319
204 HG2 GLU 458 HG2 GLU 458 -9.511 -2.256 2.369
205 HG3 GLU 458 HG1 GLU 458 -10.578 -2.813 3.657
206 H LYS 459 HN LYS 459 -6.858 0.604 5.837
207 HA LYS 459 HA LYS 459 -4.276 -0.540 6.295
208 HB2 LYS 459 HB2 LYS 459 -5.814 1.575 7.781
209 HB3 LYS 459 HB1 LYS 459 -4.207 1.047 8.258
210 HG2 LYS 459 HG2 LYS 459 -3.493 1.639 5.890
211 HG3 LYS 459 HG1 LYS 459 -5.040 2.476 5.764
212 HD2 LYS 459 HD2 LYS 459 -3.330 4.053 6.398
213 HD3 LYS 459 HD1 LYS 459 -4.434 3.819 7.754
214 HE2 LYS 459 HE2 LYS 459 -2.080 3.871 8.464
215 HE3 LYS 459 HE1 LYS 459 -2.856 2.332 8.828
216 HZ1 LYS 459 HZ1 LYS 459 -1.803 1.389 6.863
217 HZ2 LYS 459 HZ2 LYS 459 -0.649 2.005 7.924
218 HZ3 LYS 459 HZ3 LYS 459 -1.046 2.867 6.520
219 HA PRO 460 HA PRO 460 -5.594 -3.643 9.369
220 HB2 PRO 460 HB2 PRO 460 -2.646 -3.830 9.597
221 HB3 PRO 460 HB1 PRO 460 -3.837 -5.111 9.359
222 HG2 PRO 460 HG2 PRO 460 -2.222 -4.295 7.381
223 HG3 PRO 460 HG1 PRO 460 -3.886 -4.823 7.079
224 HD2 PRO 460 HD2 PRO 460 -2.750 -2.073 7.119
225 HD3 PRO 460 HD1 PRO 460 -4.055 -2.757 6.124
Start of MODEL 3
1 H1 SER 433 HT1 SER 433 4.169 -5.072 7.747
2 H2 SER 433 HT2 SER 433 4.521 -5.825 9.220
3 H3 SER 433 HT3 SER 433 5.734 -5.642 8.052
4 HA SER 433 HA SER 433 4.344 -3.403 9.405
5 HB2 SER 433 HB2 SER 433 7.130 -4.458 9.927
6 HB3 SER 433 HB1 SER 433 6.281 -3.189 10.815
7 HG SER 433 HG SER 433 5.603 -4.748 12.040
8 H GLU 434 HN GLU 434 6.111 -4.537 6.788
9 HA GLU 434 HA GLU 434 7.222 -1.891 6.205
10 HB2 GLU 434 HB2 GLU 434 8.464 -3.130 4.380
11 HB3 GLU 434 HB1 GLU 434 8.911 -3.535 6.027
12 HG2 GLU 434 HG2 GLU 434 6.990 -5.181 4.402
13 HG3 GLU 434 HG1 GLU 434 8.728 -5.464 4.414
14 H TRP 435 HN TRP 435 5.927 -0.627 5.019
15 HA TRP 435 HA TRP 435 4.285 -1.850 2.918
16 HB2 TRP 435 HB2 TRP 435 3.277 0.157 4.949
17 HB3 TRP 435 HB1 TRP 435 2.347 -0.534 3.626
18 HD1 TRP 435 HD1 TRP 435 2.978 -0.992 7.210
19 HE1 TRP 435 HE1 TRP 435 2.067 -3.265 8.021
20 HE3 TRP 435 HE3 TRP 435 2.241 -3.214 2.674
21 HZ2 TRP 435 HZ2 TRP 435 1.177 -5.686 6.870
22 HZ3 TRP 435 HZ3 TRP 435 1.372 -5.514 2.616
23 HH2 TRP 435 HH2 TRP 435 0.838 -6.718 4.662
24 H THR 436 HN THR 436 4.069 -0.604 1.095
25 HA THR 436 HA THR 436 5.463 1.950 1.034
26 HB THR 436 HB THR 436 4.110 0.371 -1.170
27 HG1 THR 436 HG1 THR 436 6.827 0.779 -0.412
28 HG21 THR 436 HG21 THR 436 5.115 1.984 -2.730
29 HG22 THR 436 HG22 THR 436 5.717 2.931 -1.370
30 HG23 THR 436 HG23 THR 436 3.979 2.780 -1.639
31 H GLU 437 HN GLU 437 4.134 3.259 2.275
32 HA GLU 437 HA GLU 437 1.365 3.619 1.436
33 HB2 GLU 437 HB2 GLU 437 2.843 5.206 3.540
34 HB3 GLU 437 HB1 GLU 437 1.106 5.045 3.341
35 HG2 GLU 437 HG2 GLU 437 1.433 2.576 3.851
36 HG3 GLU 437 HG1 GLU 437 3.059 3.015 4.365
37 H ARG 438 HN ARG 438 1.264 4.664 -0.455
38 HA ARG 438 HA ARG 438 2.756 7.187 -0.696
39 HB2 ARG 438 HB2 ARG 438 3.866 5.379 -1.990
40 HB3 ARG 438 HB1 ARG 438 2.374 5.123 -2.881
41 HG2 ARG 438 HG2 ARG 438 2.531 7.397 -3.780
42 HG3 ARG 438 HG1 ARG 438 4.046 7.627 -2.905
43 HD2 ARG 438 HD2 ARG 438 3.514 5.573 -5.051
44 HD3 ARG 438 HD1 ARG 438 4.476 7.043 -5.228
45 HE ARG 438 HE ARG 438 5.561 5.583 -3.119
46 HH11 ARG 438 HH11 ARG 438 5.173 5.326 -6.589
47 HH12 ARG 438 HH12 ARG 438 6.530 4.255 -6.789
48 HH21 ARG 438 HH21 ARG 438 7.343 4.200 -3.372
49 HH22 ARG 438 HH22 ARG 438 7.768 3.607 -4.949
50 H LYS 439 HN LYS 439 1.635 8.834 -2.004
51 HA LYS 439 HA LYS 439 -1.209 8.222 -2.249
52 HB2 LYS 439 HB2 LYS 439 -1.592 10.652 -2.162
53 HB3 LYS 439 HB1 LYS 439 -0.802 10.040 -0.719
54 HG2 LYS 439 HG2 LYS 439 1.331 10.888 -1.490
55 HG3 LYS 439 HG1 LYS 439 0.588 11.436 -2.995
56 HD2 LYS 439 HD2 LYS 439 -0.853 12.956 -1.738
57 HD3 LYS 439 HD1 LYS 439 -0.129 12.399 -0.227
58 HE2 LYS 439 HE2 LYS 439 1.351 13.758 -2.477
59 HE3 LYS 439 HE1 LYS 439 0.808 14.542 -0.995
60 HZ1 LYS 439 HZ1 LYS 439 3.124 13.939 -0.836
61 HZ2 LYS 439 HZ2 LYS 439 2.768 12.315 -1.173
62 HZ3 LYS 439 HZ3 LYS 439 2.218 13.022 0.268
63 H THR 440 HN THR 440 -1.970 7.859 -4.143
64 HA THR 440 HA THR 440 -0.647 8.900 -6.511
65 HB THR 440 HB THR 440 -1.443 6.608 -6.660
66 HG1 THR 440 HG1 THR 440 -2.507 6.815 -8.599
67 HG21 THR 440 HG21 THR 440 -3.833 6.057 -6.561
68 HG22 THR 440 HG22 THR 440 -4.199 7.726 -6.125
69 HG23 THR 440 HG23 THR 440 -3.260 6.715 -5.028
70 H ALA 441 HN ALA 441 -1.757 10.191 -8.062
71 HA ALA 441 HA ALA 441 -2.914 12.455 -6.852
72 HB1 ALA 441 HB1 ALA 441 -2.777 11.773 -9.782
73 HB2 ALA 441 HB2 ALA 441 -1.501 12.553 -8.848
74 HB3 ALA 441 HB3 ALA 441 -3.043 13.372 -9.088
75 H ASP 442 HN ASP 442 -4.384 9.584 -7.613
76 HA ASP 442 HA ASP 442 -6.940 10.596 -8.436
77 HB2 ASP 442 HB2 ASP 442 -6.072 8.264 -8.906
78 HB3 ASP 442 HB1 ASP 442 -6.339 7.895 -7.206
79 H GLY 443 HN GLY 443 -5.275 10.811 -5.612
80 HA2 GLY 443 HA2 GLY 443 -6.002 11.902 -3.686
81 HA3 GLY 443 HA1 GLY 443 -7.666 11.625 -4.178
82 H LYS 444 HN LYS 444 -5.192 9.152 -3.957
83 HA LYS 444 HA LYS 444 -6.520 8.064 -1.587
84 HB2 LYS 444 HB2 LYS 444 -6.098 6.556 -4.177
85 HB3 LYS 444 HB1 LYS 444 -6.578 5.809 -2.657
86 HG2 LYS 444 HG2 LYS 444 -8.637 7.058 -2.641
87 HG3 LYS 444 HG1 LYS 444 -8.148 7.947 -4.082
88 HD2 LYS 444 HD2 LYS 444 -8.139 5.850 -5.356
89 HD3 LYS 444 HD1 LYS 444 -8.661 4.978 -3.912
90 HE2 LYS 444 HE2 LYS 444 -10.545 5.468 -5.407
91 HE3 LYS 444 HE1 LYS 444 -10.721 6.273 -3.850
92 HZ1 LYS 444 HZ1 LYS 444 -9.736 7.545 -6.351
93 HZ2 LYS 444 HZ2 LYS 444 -9.936 8.322 -4.859
94 HZ3 LYS 444 HZ3 LYS 444 -11.290 7.740 -5.690
95 H THR 445 HN THR 445 -5.132 7.256 -0.153
96 HA THR 445 HA THR 445 -2.334 7.065 -0.869
97 HB THR 445 HB THR 445 -3.498 6.503 1.846
98 HG1 THR 445 HG1 THR 445 -3.090 8.967 0.521
99 HG21 THR 445 HG21 THR 445 -0.814 7.473 0.858
100 HG22 THR 445 HG22 THR 445 -1.170 5.933 1.644
101 HG23 THR 445 HG23 THR 445 -1.281 7.440 2.556
102 H TYR 446 HN TYR 446 -1.917 5.198 -1.968
103 HA TYR 446 HA TYR 446 -3.366 2.806 -1.192
104 HB2 TYR 446 HB2 TYR 446 -2.679 1.828 -3.230
105 HB3 TYR 446 HB1 TYR 446 -3.096 3.486 -3.611
106 HD1 TYR 446 HD1 TYR 446 -1.163 5.156 -3.897
107 HD2 TYR 446 HD2 TYR 446 -0.614 0.942 -3.795
108 HE1 TYR 446 HE1 TYR 446 1.010 5.418 -5.017
109 HE2 TYR 446 HE2 TYR 446 1.556 1.183 -4.906
110 HH TYR 446 HH TYR 446 2.701 2.842 -6.386
111 H TYR 447 HN TYR 447 -2.419 0.987 -0.345
112 HA TYR 447 HA TYR 447 0.368 1.323 0.505
113 HB2 TYR 447 HB2 TYR 447 -1.507 -0.618 1.812
114 HB3 TYR 447 HB1 TYR 447 -0.138 0.247 2.506
115 HD1 TYR 447 HD1 TYR 447 -0.430 2.838 2.744
116 HD2 TYR 447 HD2 TYR 447 -3.669 0.130 2.234
117 HE1 TYR 447 HE1 TYR 447 -1.970 4.517 3.647
118 HE2 TYR 447 HE2 TYR 447 -5.221 1.811 3.136
119 HH TYR 447 HH TYR 447 -5.222 3.802 4.481
120 H TYR 448 HN TYR 448 1.494 0.288 -1.085
121 HA TYR 448 HA TYR 448 0.535 -2.226 -2.105
122 HB2 TYR 448 HB2 TYR 448 1.600 -0.642 -3.635
123 HB3 TYR 448 HB1 TYR 448 3.089 -0.711 -2.694
124 HD1 TYR 448 HD1 TYR 448 0.749 -2.960 -4.545
125 HD2 TYR 448 HD2 TYR 448 4.763 -2.182 -3.363
126 HE1 TYR 448 HE1 TYR 448 1.512 -4.865 -5.902
127 HE2 TYR 448 HE2 TYR 448 5.535 -4.087 -4.715
128 HH TYR 448 HH TYR 448 4.658 -6.154 -5.650
129 H ASN 449 HN ASN 449 1.091 -4.164 -1.422
130 HA ASN 449 HA ASN 449 2.982 -4.485 0.756
131 HB2 ASN 449 HB2 ASN 449 0.744 -5.487 0.928
132 HB3 ASN 449 HB1 ASN 449 1.007 -6.376 -0.563
133 HD21 ASN 449 HD21 ASN 449 0.291 -7.369 2.021
134 HD22 ASN 449 HD22 ASN 449 1.531 -8.477 2.497
135 H ASN 450 HN ASN 450 5.036 -4.877 0.242
136 HA ASN 450 HA ASN 450 5.669 -5.920 -2.413
137 HB2 ASN 450 HB2 ASN 450 6.726 -3.800 -1.492
138 HB3 ASN 450 HB1 ASN 450 7.588 -4.822 -0.349
139 HD21 ASN 450 HD21 ASN 450 9.586 -4.200 -1.187
140 HD22 ASN 450 HD22 ASN 450 10.152 -4.789 -2.716
141 H ARG 451 HN ARG 451 5.044 -7.121 0.524
142 HA ARG 451 HA ARG 451 7.153 -9.080 0.729
143 HB2 ARG 451 HB2 ARG 451 4.473 -9.196 2.110
144 HB3 ARG 451 HB1 ARG 451 5.969 -9.971 2.602
145 HG2 ARG 451 HG2 ARG 451 6.928 -7.746 3.062
146 HG3 ARG 451 HG1 ARG 451 5.372 -7.023 2.653
147 HD2 ARG 451 HD2 ARG 451 5.545 -7.248 5.053
148 HD3 ARG 451 HD1 ARG 451 4.318 -8.357 4.444
149 HE ARG 451 HE ARG 451 6.960 -9.500 4.743
150 HH11 ARG 451 HH11 ARG 451 3.836 -8.937 6.245
151 HH12 ARG 451 HH12 ARG 451 4.025 -10.211 7.409
152 HH21 ARG 451 HH21 ARG 451 7.207 -11.168 6.269
153 HH22 ARG 451 HH22 ARG 451 5.941 -11.492 7.416
154 H THR 452 HN THR 452 3.665 -9.208 0.065
155 HA THR 452 HA THR 452 4.066 -11.815 -1.236
156 HB THR 452 HB THR 452 1.599 -12.114 -0.868
157 HG1 THR 452 HG1 THR 452 0.493 -10.527 -0.015
158 HG21 THR 452 HG21 THR 452 3.207 -13.174 0.613
159 HG22 THR 452 HG22 THR 452 1.818 -12.608 1.542
160 HG23 THR 452 HG23 THR 452 3.330 -11.699 1.571
161 H LEU 453 HN LEU 453 3.773 -8.678 -2.064
162 HA LEU 453 HA LEU 453 3.281 -7.565 -3.982
163 HB2 LEU 453 HB2 LEU 453 2.889 -10.375 -4.985
164 HB3 LEU 453 HB1 LEU 453 2.527 -8.993 -5.999
165 HG LEU 453 HG LEU 453 4.907 -8.243 -5.700
166 HD11 LEU 453 HD11 LEU 453 5.254 -10.989 -4.504
167 HD12 LEU 453 HD12 LEU 453 5.430 -9.457 -3.649
168 HD13 LEU 453 HD13 LEU 453 6.552 -9.878 -4.944
169 HD21 LEU 453 HD21 LEU 453 4.163 -9.399 -7.708
170 HD22 LEU 453 HD22 LEU 453 4.478 -10.955 -6.942
171 HD23 LEU 453 HD23 LEU 453 5.814 -9.859 -7.291
172 H GLU 454 HN GLU 454 1.434 -7.910 -1.922
173 HA GLU 454 HA GLU 454 -1.192 -8.262 -3.129
174 HB2 GLU 454 HB2 GLU 454 -0.877 -9.234 -0.936
175 HB3 GLU 454 HB1 GLU 454 -0.258 -7.718 -0.300
176 HG2 GLU 454 HG2 GLU 454 -2.480 -6.704 -0.638
177 HG3 GLU 454 HG1 GLU 454 -3.081 -8.265 -1.188
178 H SER 455 HN SER 455 -2.656 -6.567 -3.450
179 HA SER 455 HA SER 455 -1.601 -3.877 -2.996
180 HB2 SER 455 HB2 SER 455 -3.550 -3.106 -4.314
181 HB3 SER 455 HB1 SER 455 -2.589 -4.294 -5.193
182 HG SER 455 HG SER 455 -4.809 -5.101 -3.648
183 H THR 456 HN THR 456 -1.931 -3.071 -1.032
184 HA THR 456 HA THR 456 -4.165 -4.089 0.564
185 HB THR 456 HB THR 456 -1.734 -2.533 1.470
186 HG1 THR 456 HG1 THR 456 -2.154 -5.355 1.643
187 HG21 THR 456 HG21 THR 456 -2.307 -3.339 3.691
188 HG22 THR 456 HG22 THR 456 -3.677 -4.237 3.041
189 HG23 THR 456 HG23 THR 456 -3.679 -2.475 3.000
190 H TRP 457 HN TRP 457 -5.906 -2.821 0.733
191 HA TRP 457 HA TRP 457 -5.484 0.092 0.627
192 HB2 TRP 457 HB2 TRP 457 -7.788 -1.522 -0.489
193 HB3 TRP 457 HB1 TRP 457 -7.746 0.245 -0.430
194 HD1 TRP 457 HD1 TRP 457 -5.818 -2.701 -2.009
195 HE1 TRP 457 HE1 TRP 457 -4.565 -1.844 -4.082
196 HE3 TRP 457 HE3 TRP 457 -7.025 2.251 -1.699
197 HZ2 TRP 457 HZ2 TRP 457 -4.115 0.589 -5.393
198 HZ3 TRP 457 HZ3 TRP 457 -6.165 3.779 -3.428
199 HH2 TRP 457 HH2 TRP 457 -4.752 2.961 -5.247
200 H GLU 458 HN GLU 458 -6.025 -2.232 2.710
201 HA GLU 458 HA GLU 458 -7.688 -0.546 4.453
202 HB2 GLU 458 HB2 GLU 458 -7.288 -3.551 4.557
203 HB3 GLU 458 HB1 GLU 458 -8.271 -2.608 5.668
204 HG2 GLU 458 HG2 GLU 458 -8.799 -2.787 2.714
205 HG3 GLU 458 HG1 GLU 458 -9.533 -3.851 3.912
206 H LYS 459 HN LYS 459 -6.498 0.352 6.067
207 HA LYS 459 HA LYS 459 -3.727 -0.143 6.267
208 HB2 LYS 459 HB2 LYS 459 -5.618 1.454 7.976
209 HB3 LYS 459 HB1 LYS 459 -3.906 1.317 8.355
210 HG2 LYS 459 HG2 LYS 459 -3.393 2.215 6.098
211 HG3 LYS 459 HG1 LYS 459 -5.118 2.473 5.857
212 HD2 LYS 459 HD2 LYS 459 -4.013 4.527 6.566
213 HD3 LYS 459 HD1 LYS 459 -5.168 3.980 7.784
214 HE2 LYS 459 HE2 LYS 459 -3.171 4.687 8.902
215 HE3 LYS 459 HE1 LYS 459 -3.276 2.932 9.012
216 HZ1 LYS 459 HZ1 LYS 459 -1.505 4.535 7.254
217 HZ2 LYS 459 HZ2 LYS 459 -1.742 2.876 7.041
218 HZ3 LYS 459 HZ3 LYS 459 -1.057 3.449 8.476
219 HA PRO 460 HA PRO 460 -3.983 -3.499 9.240
220 HB2 PRO 460 HB2 PRO 460 -1.461 -4.362 8.940
221 HB3 PRO 460 HB1 PRO 460 -2.700 -4.682 7.719
222 HG2 PRO 460 HG2 PRO 460 -0.529 -2.629 7.726
223 HG3 PRO 460 HG1 PRO 460 -1.128 -3.621 6.385
224 HD2 PRO 460 HD2 PRO 460 -1.843 -0.992 6.842
225 HD3 PRO 460 HD1 PRO 460 -2.800 -2.154 5.903
Start of MODEL 4
1 H1 SER 433 HT1 SER 433 7.343 -3.077 8.109
2 H2 SER 433 HT2 SER 433 8.449 -2.238 9.076
3 H3 SER 433 HT3 SER 433 8.986 -3.051 7.690
4 HA SER 433 HA SER 433 7.146 -0.728 7.704
5 HB2 SER 433 HB2 SER 433 10.058 -0.898 6.866
6 HB3 SER 433 HB1 SER 433 9.047 0.550 6.881
7 HG SER 433 HG SER 433 10.563 -0.299 8.820
8 H GLU 434 HN GLU 434 7.038 -3.444 6.404
9 HA GLU 434 HA GLU 434 7.890 -3.084 3.679
10 HB2 GLU 434 HB2 GLU 434 6.836 -5.352 3.375
11 HB3 GLU 434 HB1 GLU 434 8.133 -5.263 4.555
12 HG2 GLU 434 HG2 GLU 434 5.292 -5.018 5.425
13 HG3 GLU 434 HG1 GLU 434 6.003 -6.602 5.114
14 H TRP 435 HN TRP 435 5.162 -2.113 5.337
15 HA TRP 435 HA TRP 435 3.366 -2.445 3.070
16 HB2 TRP 435 HB2 TRP 435 2.807 -0.986 5.659
17 HB3 TRP 435 HB1 TRP 435 1.632 -1.580 4.492
18 HD1 TRP 435 HD1 TRP 435 3.101 -2.446 7.699
19 HE1 TRP 435 HE1 TRP 435 2.673 -4.905 8.313
20 HE3 TRP 435 HE3 TRP 435 1.625 -4.172 3.124
21 HZ2 TRP 435 HZ2 TRP 435 1.844 -7.275 7.025
22 HZ3 TRP 435 HZ3 TRP 435 1.071 -6.561 2.890
23 HH2 TRP 435 HH2 TRP 435 1.157 -8.073 4.797
24 H THR 436 HN THR 436 3.478 -0.963 1.437
25 HA THR 436 HA THR 436 4.714 1.612 1.969
26 HB THR 436 HB THR 436 3.846 0.343 -0.633
27 HG1 THR 436 HG1 THR 436 5.682 -0.657 -0.316
28 HG21 THR 436 HG21 THR 436 5.146 2.147 -1.719
29 HG22 THR 436 HG22 THR 436 5.365 2.917 -0.146
30 HG23 THR 436 HG23 THR 436 3.747 2.769 -0.840
31 H GLU 437 HN GLU 437 3.399 3.142 2.735
32 HA GLU 437 HA GLU 437 0.718 3.425 1.632
33 HB2 GLU 437 HB2 GLU 437 2.050 5.232 3.652
34 HB3 GLU 437 HB1 GLU 437 0.333 5.098 3.306
35 HG2 GLU 437 HG2 GLU 437 0.381 2.794 4.228
36 HG3 GLU 437 HG1 GLU 437 2.067 3.042 4.656
37 H ARG 438 HN ARG 438 1.094 4.044 -0.469
38 HA ARG 438 HA ARG 438 2.770 6.408 -0.852
39 HB2 ARG 438 HB2 ARG 438 3.418 4.454 -2.159
40 HB3 ARG 438 HB1 ARG 438 1.813 4.382 -2.878
41 HG2 ARG 438 HG2 ARG 438 2.166 6.499 -3.982
42 HG3 ARG 438 HG1 ARG 438 3.726 6.689 -3.182
43 HD2 ARG 438 HD2 ARG 438 3.004 4.482 -5.106
44 HD3 ARG 438 HD1 ARG 438 3.946 5.917 -5.509
45 HE ARG 438 HE ARG 438 5.468 5.010 -3.611
46 HH11 ARG 438 HH11 ARG 438 3.696 3.077 -5.940
47 HH12 ARG 438 HH12 ARG 438 4.882 1.804 -5.979
48 HH21 ARG 438 HH21 ARG 438 7.029 3.349 -3.660
49 HH22 ARG 438 HH22 ARG 438 6.769 1.943 -4.660
50 H LYS 439 HN LYS 439 1.690 8.403 -1.451
51 HA LYS 439 HA LYS 439 -1.179 8.215 -1.843
52 HB2 LYS 439 HB2 LYS 439 -0.992 10.747 -1.614
53 HB3 LYS 439 HB1 LYS 439 -0.599 9.794 -0.188
54 HG2 LYS 439 HG2 LYS 439 1.798 9.997 -0.773
55 HG3 LYS 439 HG1 LYS 439 1.345 11.061 -2.103
56 HD2 LYS 439 HD2 LYS 439 0.477 12.692 -0.593
57 HD3 LYS 439 HD1 LYS 439 0.651 11.590 0.776
58 HE2 LYS 439 HE2 LYS 439 2.912 12.683 -0.892
59 HE3 LYS 439 HE1 LYS 439 2.445 13.273 0.704
60 HZ1 LYS 439 HZ1 LYS 439 2.963 11.107 1.628
61 HZ2 LYS 439 HZ2 LYS 439 4.317 11.735 0.822
62 HZ3 LYS 439 HZ3 LYS 439 3.387 10.517 0.096
63 H THR 440 HN THR 440 -1.825 7.966 -3.879
64 HA THR 440 HA THR 440 -0.234 9.108 -6.027
65 HB THR 440 HB THR 440 -1.250 6.781 -6.186
66 HG1 THR 440 HG1 THR 440 -2.244 8.150 -8.393
67 HG21 THR 440 HG21 THR 440 -3.569 6.638 -6.982
68 HG22 THR 440 HG22 THR 440 -3.770 8.367 -6.696
69 HG23 THR 440 HG23 THR 440 -3.486 7.275 -5.340
70 H ALA 441 HN ALA 441 -1.110 10.485 -7.630
71 HA ALA 441 HA ALA 441 -2.214 12.780 -6.438
72 HB1 ALA 441 HB1 ALA 441 -1.835 12.209 -9.369
73 HB2 ALA 441 HB2 ALA 441 -0.596 12.828 -8.276
74 HB3 ALA 441 HB3 ALA 441 -2.032 13.795 -8.621
75 H ASP 442 HN ASP 442 -3.807 10.084 -7.666
76 HA ASP 442 HA ASP 442 -6.183 11.295 -8.645
77 HB2 ASP 442 HB2 ASP 442 -5.446 8.893 -9.009
78 HB3 ASP 442 HB1 ASP 442 -5.948 8.570 -7.352
79 H GLY 443 HN GLY 443 -4.823 11.222 -5.610
80 HA2 GLY 443 HA2 GLY 443 -5.678 12.371 -3.759
81 HA3 GLY 443 HA1 GLY 443 -7.291 12.236 -4.442
82 H LYS 444 HN LYS 444 -5.159 9.489 -4.166
83 HA LYS 444 HA LYS 444 -6.364 8.656 -1.672
84 HB2 LYS 444 HB2 LYS 444 -7.087 6.454 -2.585
85 HB3 LYS 444 HB1 LYS 444 -8.041 7.809 -3.155
86 HG2 LYS 444 HG2 LYS 444 -7.146 7.681 -5.304
87 HG3 LYS 444 HG1 LYS 444 -5.777 6.701 -4.770
88 HD2 LYS 444 HD2 LYS 444 -7.205 4.818 -4.358
89 HD3 LYS 444 HD1 LYS 444 -8.648 5.781 -4.663
90 HE2 LYS 444 HE2 LYS 444 -6.562 5.466 -6.780
91 HE3 LYS 444 HE1 LYS 444 -7.749 4.193 -6.504
92 HZ1 LYS 444 HZ1 LYS 444 -8.255 6.999 -7.332
93 HZ2 LYS 444 HZ2 LYS 444 -9.480 5.980 -6.755
94 HZ3 LYS 444 HZ3 LYS 444 -8.641 5.574 -8.167
95 H THR 445 HN THR 445 -5.203 7.107 -0.584
96 HA THR 445 HA THR 445 -2.540 6.580 -1.669
97 HB THR 445 HB THR 445 -2.706 7.613 0.590
98 HG1 THR 445 HG1 THR 445 -1.160 6.278 1.504
99 HG21 THR 445 HG21 THR 445 -3.452 6.265 2.486
100 HG22 THR 445 HG22 THR 445 -3.937 4.974 1.388
101 HG23 THR 445 HG23 THR 445 -4.764 6.531 1.341
102 H TYR 446 HN TYR 446 -1.723 4.496 -1.856
103 HA TYR 446 HA TYR 446 -3.666 2.344 -1.394
104 HB2 TYR 446 HB2 TYR 446 -2.925 1.198 -3.401
105 HB3 TYR 446 HB1 TYR 446 -3.535 2.790 -3.794
106 HD1 TYR 446 HD1 TYR 446 -1.859 4.625 -4.354
107 HD2 TYR 446 HD2 TYR 446 -0.779 0.523 -4.019
108 HE1 TYR 446 HE1 TYR 446 0.175 5.055 -5.670
109 HE2 TYR 446 HE2 TYR 446 1.258 0.947 -5.322
110 HH TYR 446 HH TYR 446 2.016 2.599 -7.040
111 H TYR 447 HN TYR 447 -2.890 0.547 -0.354
112 HA TYR 447 HA TYR 447 -0.144 0.786 0.581
113 HB2 TYR 447 HB2 TYR 447 -2.170 -1.237 1.541
114 HB3 TYR 447 HB1 TYR 447 -0.741 -0.636 2.382
115 HD1 TYR 447 HD1 TYR 447 -0.805 2.078 2.550
116 HD2 TYR 447 HD2 TYR 447 -4.184 -0.466 2.401
117 HE1 TYR 447 HE1 TYR 447 -2.140 3.835 3.613
118 HE2 TYR 447 HE2 TYR 447 -5.548 1.280 3.477
119 HH TYR 447 HH TYR 447 -4.522 4.498 3.750
120 H TYR 448 HN TYR 448 0.906 0.152 -1.278
121 HA TYR 448 HA TYR 448 0.538 -2.557 -2.239
122 HB2 TYR 448 HB2 TYR 448 1.075 -0.772 -3.845
123 HB3 TYR 448 HB1 TYR 448 2.584 -0.454 -2.997
124 HD1 TYR 448 HD1 TYR 448 0.771 -3.051 -4.944
125 HD2 TYR 448 HD2 TYR 448 4.533 -1.654 -3.529
126 HE1 TYR 448 HE1 TYR 448 1.913 -4.703 -6.362
127 HE2 TYR 448 HE2 TYR 448 5.686 -3.299 -4.948
128 HH TYR 448 HH TYR 448 5.149 -5.510 -6.019
129 H ASN 449 HN ASN 449 1.567 -4.259 -1.445
130 HA ASN 449 HA ASN 449 3.805 -3.819 0.409
131 HB2 ASN 449 HB2 ASN 449 2.020 -4.885 1.529
132 HB3 ASN 449 HB1 ASN 449 1.700 -5.954 0.169
133 HD21 ASN 449 HD21 ASN 449 3.989 -5.236 2.741
134 HD22 ASN 449 HD22 ASN 449 4.624 -6.841 2.850
135 H ASN 450 HN ASN 450 5.693 -4.984 0.232
136 HA ASN 450 HA ASN 450 6.123 -6.253 -2.389
137 HB2 ASN 450 HB2 ASN 450 7.440 -4.164 -1.765
138 HB3 ASN 450 HB1 ASN 450 8.244 -5.144 -0.543
139 HD21 ASN 450 HD21 ASN 450 10.259 -4.940 -1.479
140 HD22 ASN 450 HD22 ASN 450 10.687 -5.701 -2.972
141 H ARG 451 HN ARG 451 5.364 -7.194 0.567
142 HA ARG 451 HA ARG 451 7.320 -9.259 1.012
143 HB2 ARG 451 HB2 ARG 451 4.640 -8.714 2.253
144 HB3 ARG 451 HB1 ARG 451 5.604 -10.123 2.664
145 HG2 ARG 451 HG2 ARG 451 6.537 -7.286 2.965
146 HG3 ARG 451 HG1 ARG 451 5.808 -8.243 4.253
147 HD2 ARG 451 HD2 ARG 451 7.624 -9.927 3.914
148 HD3 ARG 451 HD1 ARG 451 8.390 -8.788 2.806
149 HE ARG 451 HE ARG 451 7.789 -7.678 5.397
150 HH11 ARG 451 HH11 ARG 451 10.150 -9.458 3.527
151 HH12 ARG 451 HH12 ARG 451 11.481 -8.988 4.534
152 HH21 ARG 451 HH21 ARG 451 9.513 -7.053 6.707
153 HH22 ARG 451 HH22 ARG 451 11.122 -7.600 6.345
154 H THR 452 HN THR 452 3.844 -9.382 0.319
155 HA THR 452 HA THR 452 4.251 -11.972 -1.007
156 HB THR 452 HB THR 452 1.685 -12.081 -0.714
157 HG1 THR 452 HG1 THR 452 0.779 -10.629 0.618
158 HG21 THR 452 HG21 THR 452 1.904 -12.905 1.590
159 HG22 THR 452 HG22 THR 452 3.482 -12.132 1.715
160 HG23 THR 452 HG23 THR 452 3.238 -13.459 0.580
161 H LEU 453 HN LEU 453 4.096 -8.843 -1.749
162 HA LEU 453 HA LEU 453 3.512 -7.557 -3.511
163 HB2 LEU 453 HB2 LEU 453 3.110 -10.201 -4.912
164 HB3 LEU 453 HB1 LEU 453 3.138 -8.635 -5.701
165 HG LEU 453 HG LEU 453 5.456 -9.888 -4.225
166 HD11 LEU 453 HD11 LEU 453 4.993 -11.047 -6.301
167 HD12 LEU 453 HD12 LEU 453 6.460 -10.081 -6.458
168 HD13 LEU 453 HD13 LEU 453 4.951 -9.515 -7.173
169 HD21 LEU 453 HD21 LEU 453 6.757 -8.035 -5.173
170 HD22 LEU 453 HD22 LEU 453 5.500 -7.462 -4.076
171 HD23 LEU 453 HD23 LEU 453 5.274 -7.334 -5.821
172 H GLU 454 HN GLU 454 1.735 -7.190 -1.966
173 HA GLU 454 HA GLU 454 -0.867 -8.038 -3.056
174 HB2 GLU 454 HB2 GLU 454 -0.295 -9.131 -0.894
175 HB3 GLU 454 HB1 GLU 454 -0.147 -7.544 -0.155
176 HG2 GLU 454 HG2 GLU 454 -2.534 -7.129 -0.676
177 HG3 GLU 454 HG1 GLU 454 -2.640 -8.776 -1.294
178 H SER 455 HN SER 455 -2.388 -6.436 -3.315
179 HA SER 455 HA SER 455 -1.586 -3.731 -2.500
180 HB2 SER 455 HB2 SER 455 -2.016 -4.118 -4.937
181 HB3 SER 455 HB1 SER 455 -3.688 -4.515 -4.539
182 HG SER 455 HG SER 455 -3.013 -2.173 -3.403
183 H THR 456 HN THR 456 -2.349 -3.439 -0.508
184 HA THR 456 HA THR 456 -5.019 -4.430 0.207
185 HB THR 456 HB THR 456 -3.088 -3.273 2.184
186 HG1 THR 456 HG1 THR 456 -2.872 -6.015 1.594
187 HG21 THR 456 HG21 THR 456 -5.276 -3.990 2.979
188 HG22 THR 456 HG22 THR 456 -4.025 -5.056 3.616
189 HG23 THR 456 HG23 THR 456 -5.034 -5.584 2.270
190 H TRP 457 HN TRP 457 -6.594 -2.989 1.057
191 HA TRP 457 HA TRP 457 -5.893 -0.142 0.706
192 HB2 TRP 457 HB2 TRP 457 -8.369 -1.588 -0.235
193 HB3 TRP 457 HB1 TRP 457 -8.218 0.172 -0.214
194 HD1 TRP 457 HD1 TRP 457 -6.617 -2.919 -1.865
195 HE1 TRP 457 HE1 TRP 457 -5.432 -2.177 -4.022
196 HE3 TRP 457 HE3 TRP 457 -7.368 2.118 -1.497
197 HZ2 TRP 457 HZ2 TRP 457 -4.859 0.238 -5.375
198 HZ3 TRP 457 HZ3 TRP 457 -6.491 3.575 -3.272
199 HH2 TRP 457 HH2 TRP 457 -5.276 2.655 -5.180
200 H GLU 458 HN GLU 458 -6.852 -2.292 2.989
201 HA GLU 458 HA GLU 458 -8.041 -0.124 4.568
202 HB2 GLU 458 HB2 GLU 458 -9.089 -1.933 5.951
203 HB3 GLU 458 HB1 GLU 458 -9.696 -1.840 4.303
204 HG2 GLU 458 HG2 GLU 458 -8.043 -3.691 3.758
205 HG3 GLU 458 HG1 GLU 458 -7.852 -3.880 5.500
206 H LYS 459 HN LYS 459 -7.083 0.326 6.548
207 HA LYS 459 HA LYS 459 -4.370 -0.661 6.775
208 HB2 LYS 459 HB2 LYS 459 -5.893 1.427 8.335
209 HB3 LYS 459 HB1 LYS 459 -4.221 0.991 8.669
210 HG2 LYS 459 HG2 LYS 459 -3.622 1.662 6.377
211 HG3 LYS 459 HG1 LYS 459 -5.292 2.154 6.110
212 HD2 LYS 459 HD2 LYS 459 -3.908 4.076 6.637
213 HD3 LYS 459 HD1 LYS 459 -5.087 3.797 7.925
214 HE2 LYS 459 HE2 LYS 459 -2.926 4.334 8.883
215 HE3 LYS 459 HE1 LYS 459 -3.343 2.660 9.239
216 HZ1 LYS 459 HZ1 LYS 459 -1.512 3.536 7.059
217 HZ2 LYS 459 HZ2 LYS 459 -1.880 1.935 7.483
218 HZ3 LYS 459 HZ3 LYS 459 -1.024 2.913 8.562
219 HA PRO 460 HA PRO 460 -5.497 -3.717 9.860
220 HB2 PRO 460 HB2 PRO 460 -2.972 -4.632 10.260
221 HB3 PRO 460 HB1 PRO 460 -3.950 -5.099 8.862
222 HG2 PRO 460 HG2 PRO 460 -1.795 -3.029 9.060
223 HG3 PRO 460 HG1 PRO 460 -2.077 -4.232 7.786
224 HD2 PRO 460 HD2 PRO 460 -2.831 -1.645 7.535
225 HD3 PRO 460 HD1 PRO 460 -3.743 -2.978 6.799
Start of MODEL 5
1 H1 SER 433 HT1 SER 433 11.161 -2.192 6.796
2 H2 SER 433 HT2 SER 433 11.059 -2.653 5.168
3 H3 SER 433 HT3 SER 433 10.446 -3.669 6.378
4 HA SER 433 HA SER 433 8.804 -1.978 6.956
5 HB2 SER 433 HB2 SER 433 10.258 -0.108 6.005
6 HB3 SER 433 HB1 SER 433 9.702 -0.613 4.411
7 HG SER 433 HG SER 433 8.535 1.121 5.810
8 H GLU 434 HN GLU 434 7.004 -3.045 6.476
9 HA GLU 434 HA GLU 434 7.041 -4.735 4.095
10 HB2 GLU 434 HB2 GLU 434 4.939 -4.823 6.239
11 HB3 GLU 434 HB1 GLU 434 5.491 -6.117 5.186
12 HG2 GLU 434 HG2 GLU 434 7.094 -4.890 7.417
13 HG3 GLU 434 HG1 GLU 434 6.206 -6.407 7.519
14 H TRP 435 HN TRP 435 5.292 -2.074 5.511
15 HA TRP 435 HA TRP 435 3.216 -2.309 3.451
16 HB2 TRP 435 HB2 TRP 435 3.117 -0.680 5.994
17 HB3 TRP 435 HB1 TRP 435 1.775 -1.041 4.911
18 HD1 TRP 435 HD1 TRP 435 2.635 -1.966 8.172
19 HE1 TRP 435 HE1 TRP 435 2.020 -4.396 8.770
20 HE3 TRP 435 HE3 TRP 435 1.995 -3.829 3.459
21 HZ2 TRP 435 HZ2 TRP 435 1.354 -6.787 7.417
22 HZ3 TRP 435 HZ3 TRP 435 1.387 -6.190 3.194
23 HH2 TRP 435 HH2 TRP 435 1.068 -7.643 5.123
24 H THR 436 HN THR 436 3.511 -0.974 1.720
25 HA THR 436 HA THR 436 4.991 1.506 2.030
26 HB THR 436 HB THR 436 3.740 0.235 -0.417
27 HG1 THR 436 HG1 THR 436 6.415 0.286 0.581
28 HG21 THR 436 HG21 THR 436 3.881 2.650 -0.699
29 HG22 THR 436 HG22 THR 436 5.087 1.851 -1.708
30 HG23 THR 436 HG23 THR 436 5.576 2.628 -0.203
31 H GLU 437 HN GLU 437 3.772 3.070 2.985
32 HA GLU 437 HA GLU 437 1.042 3.522 2.077
33 HB2 GLU 437 HB2 GLU 437 2.639 5.246 3.980
34 HB3 GLU 437 HB1 GLU 437 0.894 5.208 3.780
35 HG2 GLU 437 HG2 GLU 437 0.941 2.854 4.638
36 HG3 GLU 437 HG1 GLU 437 2.643 3.101 5.020
37 H ARG 438 HN ARG 438 1.015 4.344 0.051
38 HA ARG 438 HA ARG 438 2.835 6.589 -0.490
39 HB2 ARG 438 HB2 ARG 438 3.559 4.545 -1.651
40 HB3 ARG 438 HB1 ARG 438 1.981 4.416 -2.415
41 HG2 ARG 438 HG2 ARG 438 2.366 6.496 -3.610
42 HG3 ARG 438 HG1 ARG 438 3.930 6.674 -2.814
43 HD2 ARG 438 HD2 ARG 438 3.142 4.390 -4.616
44 HD3 ARG 438 HD1 ARG 438 4.117 5.774 -5.102
45 HE ARG 438 HE ARG 438 5.494 4.780 -2.998
46 HH11 ARG 438 HH11 ARG 438 4.173 3.311 -5.885
47 HH12 ARG 438 HH12 ARG 438 5.436 2.127 -6.033
48 HH21 ARG 438 HH21 ARG 438 7.162 3.222 -3.165
49 HH22 ARG 438 HH22 ARG 438 7.149 2.084 -4.480
50 H LYS 439 HN LYS 439 1.857 8.414 -1.635
51 HA LYS 439 HA LYS 439 -1.036 8.168 -1.937
52 HB2 LYS 439 HB2 LYS 439 -0.286 9.887 -0.354
53 HB3 LYS 439 HB1 LYS 439 0.661 10.645 -1.628
54 HG2 LYS 439 HG2 LYS 439 -1.331 11.223 -2.841
55 HG3 LYS 439 HG1 LYS 439 -2.331 10.322 -1.700
56 HD2 LYS 439 HD2 LYS 439 -2.438 12.714 -1.243
57 HD3 LYS 439 HD1 LYS 439 -1.666 11.854 0.091
58 HE2 LYS 439 HE2 LYS 439 0.539 12.492 -0.818
59 HE3 LYS 439 HE1 LYS 439 -0.274 13.411 -2.087
60 HZ1 LYS 439 HZ1 LYS 439 -1.213 14.863 -0.453
61 HZ2 LYS 439 HZ2 LYS 439 0.461 14.775 -0.177
62 HZ3 LYS 439 HZ3 LYS 439 -0.608 13.919 0.822
63 H THR 440 HN THR 440 -1.665 7.778 -3.917
64 HA THR 440 HA THR 440 -0.168 8.822 -6.182
65 HB THR 440 HB THR 440 -0.983 6.576 -6.474
66 HG1 THR 440 HG1 THR 440 -1.393 7.084 -8.474
67 HG21 THR 440 HG21 THR 440 -3.363 6.007 -6.444
68 HG22 THR 440 HG22 THR 440 -3.759 7.661 -5.981
69 HG23 THR 440 HG23 THR 440 -2.846 6.633 -4.879
70 H ALA 441 HN ALA 441 -1.076 10.192 -7.762
71 HA ALA 441 HA ALA 441 -2.536 12.369 -6.685
72 HB1 ALA 441 HB1 ALA 441 -1.843 11.786 -9.558
73 HB2 ALA 441 HB2 ALA 441 -0.823 12.653 -8.409
74 HB3 ALA 441 HB3 ALA 441 -2.369 13.339 -8.909
75 H ASP 442 HN ASP 442 -3.639 9.442 -7.594
76 HA ASP 442 HA ASP 442 -6.067 10.065 -8.934
77 HB2 ASP 442 HB2 ASP 442 -4.904 7.773 -8.649
78 HB3 ASP 442 HB1 ASP 442 -5.668 7.726 -7.067
79 H GLY 443 HN GLY 443 -4.943 10.731 -5.856
80 HA2 GLY 443 HA2 GLY 443 -6.075 11.919 -4.181
81 HA3 GLY 443 HA1 GLY 443 -7.606 11.459 -4.918
82 H LYS 444 HN LYS 444 -5.060 9.173 -4.254
83 HA LYS 444 HA LYS 444 -6.604 8.051 -2.027
84 HB2 LYS 444 HB2 LYS 444 -5.759 6.538 -4.506
85 HB3 LYS 444 HB1 LYS 444 -6.359 5.777 -3.041
86 HG2 LYS 444 HG2 LYS 444 -8.503 6.913 -3.325
87 HG3 LYS 444 HG1 LYS 444 -7.898 7.685 -4.793
88 HD2 LYS 444 HD2 LYS 444 -7.632 5.531 -5.860
89 HD3 LYS 444 HD1 LYS 444 -8.105 4.704 -4.374
90 HE2 LYS 444 HE2 LYS 444 -9.958 4.753 -5.928
91 HE3 LYS 444 HE1 LYS 444 -10.322 5.750 -4.520
92 HZ1 LYS 444 HZ1 LYS 444 -9.870 7.713 -5.770
93 HZ2 LYS 444 HZ2 LYS 444 -10.938 6.764 -6.675
94 HZ3 LYS 444 HZ3 LYS 444 -9.293 6.824 -7.092
95 H THR 445 HN THR 445 -5.331 7.316 -0.418
96 HA THR 445 HA THR 445 -2.482 6.962 -0.947
97 HB THR 445 HB THR 445 -3.902 6.892 1.716
98 HG1 THR 445 HG1 THR 445 -3.642 8.960 0.219
99 HG21 THR 445 HG21 THR 445 -1.736 5.747 1.699
100 HG22 THR 445 HG22 THR 445 -1.647 7.242 2.630
101 HG23 THR 445 HG23 THR 445 -0.979 7.178 0.999
102 H TYR 446 HN TYR 446 -2.052 4.949 -1.730
103 HA TYR 446 HA TYR 446 -3.723 2.756 -0.760
104 HB2 TYR 446 HB2 TYR 446 -3.118 1.535 -2.732
105 HB3 TYR 446 HB1 TYR 446 -3.631 3.141 -3.215
106 HD1 TYR 446 HD1 TYR 446 -1.859 4.824 -3.894
107 HD2 TYR 446 HD2 TYR 446 -1.008 0.694 -3.325
108 HE1 TYR 446 HE1 TYR 446 0.181 5.055 -5.250
109 HE2 TYR 446 HE2 TYR 446 1.031 0.922 -4.675
110 HH TYR 446 HH TYR 446 2.038 4.067 -5.980
111 H TYR 447 HN TYR 447 -2.839 0.878 0.051
112 HA TYR 447 HA TYR 447 -0.080 1.199 0.981
113 HB2 TYR 447 HB2 TYR 447 -2.082 -0.658 2.241
114 HB3 TYR 447 HB1 TYR 447 -0.656 0.089 2.958
115 HD1 TYR 447 HD1 TYR 447 -0.695 2.668 3.206
116 HD2 TYR 447 HD2 TYR 447 -4.186 0.326 2.574
117 HE1 TYR 447 HE1 TYR 447 -2.075 4.515 4.050
118 HE2 TYR 447 HE2 TYR 447 -5.579 2.166 3.422
119 HH TYR 447 HH TYR 447 -4.328 5.326 3.959
120 H TYR 448 HN TYR 448 0.965 0.262 -0.716
121 HA TYR 448 HA TYR 448 0.214 -2.378 -1.604
122 HB2 TYR 448 HB2 TYR 448 0.933 -0.784 -3.261
123 HB3 TYR 448 HB1 TYR 448 2.437 -0.489 -2.403
124 HD1 TYR 448 HD1 TYR 448 0.545 -3.134 -4.215
125 HD2 TYR 448 HD2 TYR 448 4.351 -1.722 -2.933
126 HE1 TYR 448 HE1 TYR 448 1.642 -4.858 -5.588
127 HE2 TYR 448 HE2 TYR 448 5.455 -3.441 -4.300
128 HH TYR 448 HH TYR 448 3.781 -5.287 -6.649
129 H ASN 449 HN ASN 449 1.041 -4.201 -0.855
130 HA ASN 449 HA ASN 449 3.135 -4.132 1.153
131 HB2 ASN 449 HB2 ASN 449 1.203 -5.444 1.698
132 HB3 ASN 449 HB1 ASN 449 1.249 -6.273 0.147
133 HD21 ASN 449 HD21 ASN 449 1.156 -8.208 1.414
134 HD22 ASN 449 HD22 ASN 449 2.598 -8.852 2.123
135 H ASN 450 HN ASN 450 5.183 -4.551 0.690
136 HA ASN 450 HA ASN 450 5.823 -5.324 -2.045
137 HB2 ASN 450 HB2 ASN 450 8.101 -4.564 -1.539
138 HB3 ASN 450 HB1 ASN 450 6.923 -3.318 -1.153
139 HD21 ASN 450 HD21 ASN 450 6.641 -2.688 0.951
140 HD22 ASN 450 HD22 ASN 450 7.698 -3.182 2.232
141 H ARG 451 HN ARG 451 5.330 -6.805 0.833
142 HA ARG 451 HA ARG 451 7.442 -8.750 0.627
143 HB2 ARG 451 HB2 ARG 451 4.974 -8.793 2.347
144 HB3 ARG 451 HB1 ARG 451 6.314 -9.923 2.462
145 HG2 ARG 451 HG2 ARG 451 6.310 -6.992 3.103
146 HG3 ARG 451 HG1 ARG 451 6.582 -8.348 4.197
147 HD2 ARG 451 HD2 ARG 451 8.391 -7.316 2.025
148 HD3 ARG 451 HD1 ARG 451 8.700 -7.369 3.758
149 HE ARG 451 HE ARG 451 8.726 -9.668 1.917
150 HH11 ARG 451 HH11 ARG 451 9.324 -8.351 5.106
151 HH12 ARG 451 HH12 ARG 451 10.442 -9.611 5.550
152 HH21 ARG 451 HH21 ARG 451 10.162 -11.320 2.493
153 HH22 ARG 451 HH22 ARG 451 10.920 -11.307 4.058
154 H THR 452 HN THR 452 4.023 -8.600 -0.169
155 HA THR 452 HA THR 452 4.263 -11.271 -1.390
156 HB THR 452 HB THR 452 1.678 -10.119 -0.344
157 HG1 THR 452 HG1 THR 452 2.125 -11.215 1.611
158 HG21 THR 452 HG21 THR 452 2.628 -12.953 -0.814
159 HG22 THR 452 HG22 THR 452 1.519 -12.053 -1.848
160 HG23 THR 452 HG23 THR 452 1.040 -12.487 -0.206
161 H LEU 453 HN LEU 453 4.120 -8.117 -2.184
162 HA LEU 453 HA LEU 453 3.415 -6.860 -3.944
163 HB2 LEU 453 HB2 LEU 453 3.076 -9.596 -5.175
164 HB3 LEU 453 HB1 LEU 453 2.743 -8.120 -6.058
165 HG LEU 453 HG LEU 453 5.164 -7.458 -5.540
166 HD11 LEU 453 HD11 LEU 453 5.597 -9.105 -3.797
167 HD12 LEU 453 HD12 LEU 453 6.715 -9.300 -5.148
168 HD13 LEU 453 HD13 LEU 453 5.358 -10.409 -4.960
169 HD21 LEU 453 HD21 LEU 453 4.573 -9.794 -7.346
170 HD22 LEU 453 HD22 LEU 453 6.012 -8.778 -7.432
171 HD23 LEU 453 HD23 LEU 453 4.422 -8.085 -7.753
172 H GLU 454 HN GLU 454 1.692 -7.618 -1.849
173 HA GLU 454 HA GLU 454 -0.938 -8.157 -2.970
174 HB2 GLU 454 HB2 GLU 454 -0.267 -9.365 -0.982
175 HB3 GLU 454 HB1 GLU 454 0.128 -7.870 -0.152
176 HG2 GLU 454 HG2 GLU 454 -2.235 -7.257 -0.142
177 HG3 GLU 454 HG1 GLU 454 -2.621 -8.763 -0.972
178 H SER 455 HN SER 455 -2.549 -6.620 -3.129
179 HA SER 455 HA SER 455 -1.713 -3.878 -2.534
180 HB2 SER 455 HB2 SER 455 -2.557 -4.677 -4.864
181 HB3 SER 455 HB1 SER 455 -4.158 -4.605 -4.132
182 HG SER 455 HG SER 455 -2.395 -2.550 -4.792
183 H THR 456 HN THR 456 -2.308 -3.209 -0.576
184 HA THR 456 HA THR 456 -4.851 -4.154 0.554
185 HB THR 456 HB THR 456 -2.528 -2.899 2.027
186 HG1 THR 456 HG1 THR 456 -2.916 -5.589 2.395
187 HG21 THR 456 HG21 THR 456 -4.671 -2.806 3.204
188 HG22 THR 456 HG22 THR 456 -3.564 -3.928 3.994
189 HG23 THR 456 HG23 THR 456 -4.874 -4.545 2.986
190 H TRP 457 HN TRP 457 -6.486 -2.720 0.613
191 HA TRP 457 HA TRP 457 -5.787 0.136 0.535
192 HB2 TRP 457 HB2 TRP 457 -8.123 -1.309 -0.730
193 HB3 TRP 457 HB1 TRP 457 -7.978 0.452 -0.661
194 HD1 TRP 457 HD1 TRP 457 -5.877 -2.548 -1.938
195 HE1 TRP 457 HE1 TRP 457 -4.567 -1.799 -4.016
196 HE3 TRP 457 HE3 TRP 457 -7.396 2.332 -2.131
197 HZ2 TRP 457 HZ2 TRP 457 -4.208 0.542 -5.523
198 HZ3 TRP 457 HZ3 TRP 457 -6.531 3.757 -3.941
199 HH2 TRP 457 HH2 TRP 457 -4.977 2.879 -5.611
200 H GLU 458 HN GLU 458 -6.853 -2.121 2.573
201 HA GLU 458 HA GLU 458 -8.242 -0.081 4.171
202 HB2 GLU 458 HB2 GLU 458 -9.651 -2.090 3.590
203 HB3 GLU 458 HB1 GLU 458 -8.504 -3.080 4.486
204 HG2 GLU 458 HG2 GLU 458 -10.502 -2.522 5.796
205 HG3 GLU 458 HG1 GLU 458 -9.018 -1.906 6.528
206 H LYS 459 HN LYS 459 -7.089 0.577 5.914
207 HA LYS 459 HA LYS 459 -4.466 -0.372 6.310
208 HB2 LYS 459 HB2 LYS 459 -6.110 1.209 8.292
209 HB3 LYS 459 HB1 LYS 459 -4.359 1.083 8.241
210 HG2 LYS 459 HG2 LYS 459 -4.728 2.053 5.809
211 HG3 LYS 459 HG1 LYS 459 -6.198 2.678 6.556
212 HD2 LYS 459 HD2 LYS 459 -4.524 4.355 6.781
213 HD3 LYS 459 HD1 LYS 459 -4.744 3.632 8.376
214 HE2 LYS 459 HE2 LYS 459 -2.762 2.276 8.068
215 HE3 LYS 459 HE1 LYS 459 -2.581 2.867 6.418
216 HZ1 LYS 459 HZ1 LYS 459 -2.199 4.366 8.945
217 HZ2 LYS 459 HZ2 LYS 459 -2.366 5.146 7.445
218 HZ3 LYS 459 HZ3 LYS 459 -1.068 4.082 7.704
219 HA PRO 460 HA PRO 460 -5.407 -3.950 8.807
220 HB2 PRO 460 HB2 PRO 460 -2.813 -4.545 9.426
221 HB3 PRO 460 HB1 PRO 460 -3.573 -4.976 7.890
222 HG2 PRO 460 HG2 PRO 460 -1.748 -2.700 8.536
223 HG3 PRO 460 HG1 PRO 460 -1.796 -3.727 7.092
224 HD2 PRO 460 HD2 PRO 460 -2.841 -1.224 7.158
225 HD3 PRO 460 HD1 PRO 460 -3.497 -2.516 6.132
Start of MODEL 6
1 H1 SER 433 HT1 SER 433 8.462 -0.222 3.820
2 H2 SER 433 HT2 SER 433 9.667 -1.227 3.188
3 H3 SER 433 HT3 SER 433 10.076 0.001 4.284
4 HA SER 433 HA SER 433 10.131 -2.061 5.420
5 HB2 SER 433 HB2 SER 433 7.623 -0.508 6.143
6 HB3 SER 433 HB1 SER 433 8.570 -1.533 7.229
7 HG SER 433 HG SER 433 9.517 0.319 7.650
8 H GLU 434 HN GLU 434 6.936 -2.494 6.228
9 HA GLU 434 HA GLU 434 6.772 -4.816 4.471
10 HB2 GLU 434 HB2 GLU 434 5.223 -4.038 6.948
11 HB3 GLU 434 HB1 GLU 434 4.810 -5.427 5.954
12 HG2 GLU 434 HG2 GLU 434 6.077 -6.147 7.862
13 HG3 GLU 434 HG1 GLU 434 7.034 -6.382 6.401
14 H TRP 435 HN TRP 435 5.094 -1.860 5.306
15 HA TRP 435 HA TRP 435 3.229 -2.326 3.072
16 HB2 TRP 435 HB2 TRP 435 2.779 -0.542 5.478
17 HB3 TRP 435 HB1 TRP 435 1.604 -0.963 4.238
18 HD1 TRP 435 HD1 TRP 435 2.170 -1.725 7.658
19 HE1 TRP 435 HE1 TRP 435 1.299 -4.058 8.331
20 HE3 TRP 435 HE3 TRP 435 1.668 -3.761 3.002
21 HZ2 TRP 435 HZ2 TRP 435 0.514 -6.441 7.044
22 HZ3 TRP 435 HZ3 TRP 435 0.867 -6.073 2.808
23 HH2 TRP 435 HH2 TRP 435 0.297 -7.385 4.781
24 H THR 436 HN THR 436 3.265 -0.822 1.449
25 HA THR 436 HA THR 436 4.886 1.578 1.845
26 HB THR 436 HB THR 436 3.678 0.400 -0.671
27 HG1 THR 436 HG1 THR 436 5.533 -0.695 0.239
28 HG21 THR 436 HG21 THR 436 5.015 2.101 -1.875
29 HG22 THR 436 HG22 THR 436 5.446 2.834 -0.331
30 HG23 THR 436 HG23 THR 436 3.764 2.829 -0.864
31 H GLU 437 HN GLU 437 3.627 3.024 2.964
32 HA GLU 437 HA GLU 437 0.908 3.508 2.057
33 HB2 GLU 437 HB2 GLU 437 2.431 5.043 4.169
34 HB3 GLU 437 HB1 GLU 437 0.693 5.015 3.920
35 HG2 GLU 437 HG2 GLU 437 0.863 3.626 5.710
36 HG3 GLU 437 HG1 GLU 437 0.991 2.449 4.404
37 H ARG 438 HN ARG 438 0.965 4.449 0.119
38 HA ARG 438 HA ARG 438 2.565 6.891 -0.141
39 HB2 ARG 438 HB2 ARG 438 3.717 5.106 -1.304
40 HB3 ARG 438 HB1 ARG 438 2.245 4.652 -2.147
41 HG2 ARG 438 HG2 ARG 438 2.320 6.536 -3.532
42 HG3 ARG 438 HG1 ARG 438 3.477 7.363 -2.485
43 HD2 ARG 438 HD2 ARG 438 4.065 4.829 -4.013
44 HD3 ARG 438 HD1 ARG 438 4.477 6.450 -4.574
45 HE ARG 438 HE ARG 438 5.727 6.536 -2.298
46 HH11 ARG 438 HH11 ARG 438 5.423 3.700 -4.355
47 HH12 ARG 438 HH12 ARG 438 6.964 3.044 -3.890
48 HH21 ARG 438 HH21 ARG 438 7.743 5.656 -1.670
49 HH22 ARG 438 HH22 ARG 438 8.285 4.155 -2.370
50 H LYS 439 HN LYS 439 1.575 8.564 -1.498
51 HA LYS 439 HA LYS 439 -1.298 8.122 -1.826
52 HB2 LYS 439 HB2 LYS 439 0.331 10.664 -1.655
53 HB3 LYS 439 HB1 LYS 439 -1.393 10.626 -1.995
54 HG2 LYS 439 HG2 LYS 439 -1.817 9.600 0.169
55 HG3 LYS 439 HG1 LYS 439 -0.084 9.582 0.506
56 HD2 LYS 439 HD2 LYS 439 -0.036 12.026 0.389
57 HD3 LYS 439 HD1 LYS 439 -1.765 12.049 0.044
58 HE2 LYS 439 HE2 LYS 439 -0.518 10.925 2.547
59 HE3 LYS 439 HE1 LYS 439 -1.227 12.533 2.411
60 HZ1 LYS 439 HZ1 LYS 439 -3.364 11.580 1.990
61 HZ2 LYS 439 HZ2 LYS 439 -2.735 10.830 3.379
62 HZ3 LYS 439 HZ3 LYS 439 -2.722 10.016 1.896
63 H THR 440 HN THR 440 -2.065 7.800 -3.759
64 HA THR 440 HA THR 440 -0.452 8.385 -6.104
65 HB THR 440 HB THR 440 -1.631 6.226 -6.006
66 HG1 THR 440 HG1 THR 440 -2.274 6.297 -8.106
67 HG21 THR 440 HG21 THR 440 -4.070 6.132 -6.275
68 HG22 THR 440 HG22 THR 440 -4.151 7.885 -6.102
69 HG23 THR 440 HG23 THR 440 -3.612 6.890 -4.749
70 H ALA 441 HN ALA 441 -1.270 9.631 -7.875
71 HA ALA 441 HA ALA 441 -1.966 12.193 -7.000
72 HB1 ALA 441 HB1 ALA 441 -0.618 11.747 -8.989
73 HB2 ALA 441 HB2 ALA 441 -1.978 12.813 -9.344
74 HB3 ALA 441 HB3 ALA 441 -2.045 11.114 -9.810
75 H ASP 442 HN ASP 442 -4.030 9.578 -7.754
76 HA ASP 442 HA ASP 442 -6.288 11.139 -8.564
77 HB2 ASP 442 HB2 ASP 442 -6.067 8.745 -9.151
78 HB3 ASP 442 HB1 ASP 442 -6.230 8.326 -7.447
79 H GLY 443 HN GLY 443 -4.709 10.830 -5.662
80 HA2 GLY 443 HA2 GLY 443 -5.287 11.968 -3.694
81 HA3 GLY 443 HA1 GLY 443 -6.955 12.028 -4.242
82 H LYS 444 HN LYS 444 -4.986 9.135 -4.138
83 HA LYS 444 HA LYS 444 -6.612 8.175 -1.884
84 HB2 LYS 444 HB2 LYS 444 -5.729 6.637 -4.330
85 HB3 LYS 444 HB1 LYS 444 -6.389 5.880 -2.890
86 HG2 LYS 444 HG2 LYS 444 -8.441 7.354 -3.272
87 HG3 LYS 444 HG1 LYS 444 -7.767 7.645 -4.880
88 HD2 LYS 444 HD2 LYS 444 -7.743 5.248 -5.320
89 HD3 LYS 444 HD1 LYS 444 -8.361 4.930 -3.700
90 HE2 LYS 444 HE2 LYS 444 -10.256 4.781 -5.037
91 HE3 LYS 444 HE1 LYS 444 -10.341 6.418 -4.389
92 HZ1 LYS 444 HZ1 LYS 444 -10.829 6.348 -6.755
93 HZ2 LYS 444 HZ2 LYS 444 -9.306 5.683 -7.074
94 HZ3 LYS 444 HZ3 LYS 444 -9.428 7.258 -6.461
95 H THR 445 HN THR 445 -5.479 7.463 -0.198
96 HA THR 445 HA THR 445 -2.595 7.126 -0.437
97 HB THR 445 HB THR 445 -4.224 6.707 2.069
98 HG1 THR 445 HG1 THR 445 -4.611 8.779 2.121
99 HG21 THR 445 HG21 THR 445 -1.378 7.594 1.583
100 HG22 THR 445 HG22 THR 445 -1.887 6.000 2.137
101 HG23 THR 445 HG23 THR 445 -2.138 7.411 3.164
102 H TYR 446 HN TYR 446 -2.186 5.191 -1.435
103 HA TYR 446 HA TYR 446 -3.749 2.878 -0.539
104 HB2 TYR 446 HB2 TYR 446 -3.293 1.818 -2.606
105 HB3 TYR 446 HB1 TYR 446 -3.760 3.467 -2.983
106 HD1 TYR 446 HD1 TYR 446 -1.808 5.138 -3.441
107 HD2 TYR 446 HD2 TYR 446 -1.379 0.906 -3.501
108 HE1 TYR 446 HE1 TYR 446 0.194 5.366 -4.851
109 HE2 TYR 446 HE2 TYR 446 0.626 1.118 -4.901
110 HH TYR 446 HH TYR 446 1.505 2.880 -6.581
111 H TYR 447 HN TYR 447 -2.757 0.948 -0.016
112 HA TYR 447 HA TYR 447 0.012 1.308 0.878
113 HB2 TYR 447 HB2 TYR 447 -1.931 -0.631 2.120
114 HB3 TYR 447 HB1 TYR 447 -0.478 0.079 2.825
115 HD1 TYR 447 HD1 TYR 447 -0.507 2.516 3.486
116 HD2 TYR 447 HD2 TYR 447 -4.034 0.454 2.307
117 HE1 TYR 447 HE1 TYR 447 -1.867 4.315 4.446
118 HE2 TYR 447 HE2 TYR 447 -5.406 2.243 3.280
119 HH TYR 447 HH TYR 447 -5.287 4.037 4.827
120 H TYR 448 HN TYR 448 1.157 0.379 -0.755
121 HA TYR 448 HA TYR 448 0.289 -2.136 -1.873
122 HB2 TYR 448 HB2 TYR 448 1.219 -0.453 -3.364
123 HB3 TYR 448 HB1 TYR 448 2.713 -0.416 -2.433
124 HD1 TYR 448 HD1 TYR 448 0.579 -2.931 -4.205
125 HD2 TYR 448 HD2 TYR 448 4.507 -1.564 -3.313
126 HE1 TYR 448 HE1 TYR 448 1.512 -4.682 -5.656
127 HE2 TYR 448 HE2 TYR 448 5.451 -3.311 -4.762
128 HH TYR 448 HH TYR 448 4.836 -5.460 -5.692
129 H ASN 449 HN ASN 449 1.046 -4.075 -1.389
130 HA ASN 449 HA ASN 449 2.795 -4.357 0.917
131 HB2 ASN 449 HB2 ASN 449 0.629 -5.542 0.825
132 HB3 ASN 449 HB1 ASN 449 1.132 -6.360 -0.645
133 HD21 ASN 449 HD21 ASN 449 0.230 -7.654 1.669
134 HD22 ASN 449 HD22 ASN 449 1.536 -8.584 2.321
135 H ASN 450 HN ASN 450 4.908 -4.602 0.588
136 HA ASN 450 HA ASN 450 5.848 -5.722 -1.955
137 HB2 ASN 450 HB2 ASN 450 8.062 -4.789 -1.294
138 HB3 ASN 450 HB1 ASN 450 6.806 -3.565 -1.423
139 HD21 ASN 450 HD21 ASN 450 8.972 -5.250 0.691
140 HD22 ASN 450 HD22 ASN 450 8.674 -4.274 2.097
141 H ARG 451 HN ARG 451 5.028 -6.824 0.959
142 HA ARG 451 HA ARG 451 7.284 -8.613 1.361
143 HB2 ARG 451 HB2 ARG 451 4.731 -8.211 2.909
144 HB3 ARG 451 HB1 ARG 451 5.930 -9.429 3.313
145 HG2 ARG 451 HG2 ARG 451 6.396 -6.457 3.257
146 HG3 ARG 451 HG1 ARG 451 6.159 -7.443 4.701
147 HD2 ARG 451 HD2 ARG 451 8.162 -8.755 4.076
148 HD3 ARG 451 HD1 ARG 451 8.417 -7.661 2.717
149 HE ARG 451 HE ARG 451 8.240 -6.261 5.193
150 HH11 ARG 451 HH11 ARG 451 10.378 -8.177 3.203
151 HH12 ARG 451 HH12 ARG 451 11.828 -7.475 3.850
152 HH21 ARG 451 HH21 ARG 451 10.114 -5.334 6.074
153 HH22 ARG 451 HH22 ARG 451 11.680 -5.855 5.503
154 H THR 452 HN THR 452 3.862 -8.769 0.517
155 HA THR 452 HA THR 452 4.220 -11.607 -0.213
156 HB THR 452 HB THR 452 1.552 -10.364 0.409
157 HG1 THR 452 HG1 THR 452 3.546 -11.261 2.213
158 HG21 THR 452 HG21 THR 452 1.583 -12.592 -0.614
159 HG22 THR 452 HG22 THR 452 0.976 -12.659 1.039
160 HG23 THR 452 HG23 THR 452 2.624 -13.177 0.684
161 H LEU 453 HN LEU 453 4.056 -8.653 -1.554
162 HA LEU 453 HA LEU 453 3.430 -7.738 -3.528
163 HB2 LEU 453 HB2 LEU 453 3.160 -10.610 -4.430
164 HB3 LEU 453 HB1 LEU 453 3.208 -9.209 -5.484
165 HG LEU 453 HG LEU 453 5.463 -10.154 -3.713
166 HD11 LEU 453 HD11 LEU 453 5.157 -10.219 -6.713
167 HD12 LEU 453 HD12 LEU 453 5.051 -11.614 -5.640
168 HD13 LEU 453 HD13 LEU 453 6.573 -10.738 -5.799
169 HD21 LEU 453 HD21 LEU 453 5.357 -7.901 -5.718
170 HD22 LEU 453 HD22 LEU 453 6.793 -8.448 -4.853
171 HD23 LEU 453 HD23 LEU 453 5.453 -7.723 -3.967
172 H GLU 454 HN GLU 454 1.570 -6.956 -2.428
173 HA GLU 454 HA GLU 454 -0.950 -8.104 -3.365
174 HB2 GLU 454 HB2 GLU 454 -0.524 -9.132 -1.178
175 HB3 GLU 454 HB1 GLU 454 -0.283 -7.546 -0.467
176 HG2 GLU 454 HG2 GLU 454 -2.633 -6.995 -0.989
177 HG3 GLU 454 HG1 GLU 454 -2.850 -8.642 -1.581
178 H SER 455 HN SER 455 -2.562 -6.569 -3.635
179 HA SER 455 HA SER 455 -1.768 -3.792 -3.193
180 HB2 SER 455 HB2 SER 455 -2.667 -4.634 -5.428
181 HB3 SER 455 HB1 SER 455 -4.232 -4.792 -4.639
182 HG SER 455 HG SER 455 -4.358 -2.807 -5.413
183 H THR 456 HN THR 456 -2.170 -3.240 -1.114
184 HA THR 456 HA THR 456 -4.607 -4.278 0.164
185 HB THR 456 HB THR 456 -2.226 -3.138 1.618
186 HG1 THR 456 HG1 THR 456 -2.527 -5.928 1.232
187 HG21 THR 456 HG21 THR 456 -4.281 -3.459 2.906
188 HG22 THR 456 HG22 THR 456 -3.026 -4.588 3.425
189 HG23 THR 456 HG23 THR 456 -4.345 -5.146 2.395
190 H TRP 457 HN TRP 457 -6.171 -2.756 -0.063
191 HA TRP 457 HA TRP 457 -5.403 0.049 0.372
192 HB2 TRP 457 HB2 TRP 457 -7.763 -1.151 -1.096
193 HB3 TRP 457 HB1 TRP 457 -7.557 0.581 -0.811
194 HD1 TRP 457 HD1 TRP 457 -5.240 -2.214 -2.182
195 HE1 TRP 457 HE1 TRP 457 -3.980 -1.303 -4.216
196 HE3 TRP 457 HE3 TRP 457 -7.297 2.471 -2.380
197 HZ2 TRP 457 HZ2 TRP 457 -3.849 1.060 -5.700
198 HZ3 TRP 457 HZ3 TRP 457 -6.554 3.993 -4.170
199 HH2 TRP 457 HH2 TRP 457 -4.872 3.297 -5.804
200 H GLU 458 HN GLU 458 -6.395 -2.388 2.101
201 HA GLU 458 HA GLU 458 -8.119 -0.772 3.849
202 HB2 GLU 458 HB2 GLU 458 -7.628 -3.750 3.685
203 HB3 GLU 458 HB1 GLU 458 -8.496 -2.993 5.013
204 HG2 GLU 458 HG2 GLU 458 -9.303 -2.814 2.121
205 HG3 GLU 458 HG1 GLU 458 -9.975 -3.952 3.290
206 H LYS 459 HN LYS 459 -7.313 -0.099 5.780
207 HA LYS 459 HA LYS 459 -4.493 -0.369 6.178
208 HB2 LYS 459 HB2 LYS 459 -6.676 1.108 7.575
209 HB3 LYS 459 HB1 LYS 459 -5.139 0.877 8.399
210 HG2 LYS 459 HG2 LYS 459 -4.040 1.845 6.351
211 HG3 LYS 459 HG1 LYS 459 -5.654 2.307 5.816
212 HD2 LYS 459 HD2 LYS 459 -4.472 4.140 6.946
213 HD3 LYS 459 HD1 LYS 459 -5.951 3.680 7.789
214 HE2 LYS 459 HE2 LYS 459 -3.349 2.455 8.603
215 HE3 LYS 459 HE1 LYS 459 -3.727 4.098 9.114
216 HZ1 LYS 459 HZ1 LYS 459 -5.549 3.376 10.346
217 HZ2 LYS 459 HZ2 LYS 459 -4.375 2.190 10.653
218 HZ3 LYS 459 HZ3 LYS 459 -5.631 1.878 9.565
219 HA PRO 460 HA PRO 460 -4.727 -3.931 8.863
220 HB2 PRO 460 HB2 PRO 460 -2.076 -4.058 9.406
221 HB3 PRO 460 HB1 PRO 460 -2.764 -4.611 7.876
222 HG2 PRO 460 HG2 PRO 460 -1.349 -2.060 8.507
223 HG3 PRO 460 HG1 PRO 460 -1.238 -3.075 7.060
224 HD2 PRO 460 HD2 PRO 460 -2.714 -0.778 7.203
225 HD3 PRO 460 HD1 PRO 460 -3.084 -2.121 6.104
Start of MODEL 7
1 H1 SER 433 HT1 SER 433 6.411 0.313 7.611
2 H2 SER 433 HT2 SER 433 6.037 1.123 6.168
3 H3 SER 433 HT3 SER 433 6.788 1.958 7.433
4 HA SER 433 HA SER 433 8.337 1.426 5.650
5 HB2 SER 433 HB2 SER 433 9.128 1.660 7.982
6 HB3 SER 433 HB1 SER 433 8.857 -0.062 8.241
7 HG SER 433 HG SER 433 10.816 1.233 6.691
8 H GLU 434 HN GLU 434 6.852 -1.374 7.183
9 HA GLU 434 HA GLU 434 8.002 -3.250 5.305
10 HB2 GLU 434 HB2 GLU 434 6.583 -4.901 6.484
11 HB3 GLU 434 HB1 GLU 434 7.576 -3.975 7.598
12 HG2 GLU 434 HG2 GLU 434 4.692 -3.324 7.030
13 HG3 GLU 434 HG1 GLU 434 5.205 -4.407 8.320
14 H TRP 435 HN TRP 435 5.463 -1.109 5.437
15 HA TRP 435 HA TRP 435 4.033 -2.418 3.235
16 HB2 TRP 435 HB2 TRP 435 3.036 -0.333 5.204
17 HB3 TRP 435 HB1 TRP 435 2.096 -1.022 3.884
18 HD1 TRP 435 HD1 TRP 435 2.340 -1.381 7.445
19 HE1 TRP 435 HE1 TRP 435 1.612 -3.723 8.239
20 HE3 TRP 435 HE3 TRP 435 2.498 -3.831 2.971
21 HZ2 TRP 435 HZ2 TRP 435 1.169 -6.274 7.105
22 HZ3 TRP 435 HZ3 TRP 435 1.913 -6.213 2.908
23 HH2 TRP 435 HH2 TRP 435 1.267 -7.414 4.920
24 H THR 436 HN THR 436 3.510 -1.120 1.410
25 HA THR 436 HA THR 436 5.282 1.164 1.068
26 HB THR 436 HB THR 436 3.370 -0.123 -0.900
27 HG1 THR 436 HG1 THR 436 5.101 -1.493 -0.370
28 HG21 THR 436 HG21 THR 436 5.529 1.949 -1.347
29 HG22 THR 436 HG22 THR 436 3.790 2.217 -1.469
30 HG23 THR 436 HG23 THR 436 4.600 1.150 -2.617
31 H GLU 437 HN GLU 437 4.412 2.676 2.364
32 HA GLU 437 HA GLU 437 1.606 3.377 2.148
33 HB2 GLU 437 HB2 GLU 437 3.811 4.506 3.893
34 HB3 GLU 437 HB1 GLU 437 2.097 4.874 4.040
35 HG2 GLU 437 HG2 GLU 437 1.596 2.865 4.986
36 HG3 GLU 437 HG1 GLU 437 2.912 2.025 4.172
37 H ARG 438 HN ARG 438 1.420 4.275 0.144
38 HA ARG 438 HA ARG 438 2.925 6.747 -0.325
39 HB2 ARG 438 HB2 ARG 438 3.954 4.846 -1.556
40 HB3 ARG 438 HB1 ARG 438 2.422 4.569 -2.369
41 HG2 ARG 438 HG2 ARG 438 2.574 6.713 -3.470
42 HG3 ARG 438 HG1 ARG 438 4.055 7.089 -2.587
43 HD2 ARG 438 HD2 ARG 438 3.702 4.795 -4.512
44 HD3 ARG 438 HD1 ARG 438 4.501 6.321 -4.886
45 HE ARG 438 HE ARG 438 5.793 5.315 -2.655
46 HH11 ARG 438 HH11 ARG 438 5.214 4.232 -5.937
47 HH12 ARG 438 HH12 ARG 438 6.707 3.356 -6.052
48 HH21 ARG 438 HH21 ARG 438 7.756 4.155 -2.795
49 HH22 ARG 438 HH22 ARG 438 8.153 3.305 -4.263
50 H LYS 439 HN LYS 439 1.684 8.372 -1.535
51 HA LYS 439 HA LYS 439 -1.111 7.587 -1.944
52 HB2 LYS 439 HB2 LYS 439 -0.894 9.130 -0.064
53 HB3 LYS 439 HB1 LYS 439 -0.030 10.273 -1.083
54 HG2 LYS 439 HG2 LYS 439 -1.959 10.754 -2.351
55 HG3 LYS 439 HG1 LYS 439 -2.835 9.380 -1.675
56 HD2 LYS 439 HD2 LYS 439 -3.585 11.494 -0.702
57 HD3 LYS 439 HD1 LYS 439 -2.855 10.444 0.513
58 HE2 LYS 439 HE2 LYS 439 -0.749 11.717 0.297
59 HE3 LYS 439 HE1 LYS 439 -1.542 12.792 -0.854
60 HZ1 LYS 439 HZ1 LYS 439 -1.456 13.625 1.475
61 HZ2 LYS 439 HZ2 LYS 439 -2.509 12.373 1.916
62 HZ3 LYS 439 HZ3 LYS 439 -3.017 13.558 0.818
63 H THR 440 HN THR 440 -1.819 7.677 -3.908
64 HA THR 440 HA THR 440 -0.232 8.974 -5.968
65 HB THR 440 HB THR 440 -1.070 6.702 -6.382
66 HG1 THR 440 HG1 THR 440 -1.764 7.090 -8.454
67 HG21 THR 440 HG21 THR 440 -3.455 6.287 -6.749
68 HG22 THR 440 HG22 THR 440 -3.819 7.938 -6.248
69 HG23 THR 440 HG23 THR 440 -3.137 6.797 -5.089
70 H ALA 441 HN ALA 441 -1.127 10.492 -7.463
71 HA ALA 441 HA ALA 441 -2.470 12.597 -6.140
72 HB1 ALA 441 HB1 ALA 441 -0.800 12.963 -7.883
73 HB2 ALA 441 HB2 ALA 441 -2.317 13.779 -8.262
74 HB3 ALA 441 HB3 ALA 441 -1.894 12.275 -9.082
75 H ASP 442 HN ASP 442 -3.774 9.846 -7.418
76 HA ASP 442 HA ASP 442 -6.203 10.886 -8.504
77 HB2 ASP 442 HB2 ASP 442 -5.104 8.517 -8.764
78 HB3 ASP 442 HB1 ASP 442 -5.976 8.152 -7.280
79 H GLY 443 HN GLY 443 -4.928 10.858 -5.440
80 HA2 GLY 443 HA2 GLY 443 -5.916 11.925 -3.602
81 HA3 GLY 443 HA1 GLY 443 -7.498 11.656 -4.318
82 H LYS 444 HN LYS 444 -5.026 9.203 -3.816
83 HA LYS 444 HA LYS 444 -6.657 7.982 -1.720
84 HB2 LYS 444 HB2 LYS 444 -5.932 6.661 -4.342
85 HB3 LYS 444 HB1 LYS 444 -6.576 5.797 -2.950
86 HG2 LYS 444 HG2 LYS 444 -8.668 6.720 -3.170
87 HG3 LYS 444 HG1 LYS 444 -8.069 8.135 -4.034
88 HD2 LYS 444 HD2 LYS 444 -7.565 6.662 -5.968
89 HD3 LYS 444 HD1 LYS 444 -8.337 5.330 -5.101
90 HE2 LYS 444 HE2 LYS 444 -10.440 6.455 -5.093
91 HE3 LYS 444 HE1 LYS 444 -9.710 7.946 -5.691
92 HZ1 LYS 444 HZ1 LYS 444 -9.197 6.801 -7.767
93 HZ2 LYS 444 HZ2 LYS 444 -10.862 6.797 -7.451
94 HZ3 LYS 444 HZ3 LYS 444 -9.948 5.390 -7.191
95 H THR 445 HN THR 445 -5.423 7.217 -0.149
96 HA THR 445 HA THR 445 -2.571 6.858 -0.573
97 HB THR 445 HB THR 445 -4.141 6.463 1.983
98 HG1 THR 445 HG1 THR 445 -3.630 8.588 2.477
99 HG21 THR 445 HG21 THR 445 -1.989 6.708 3.075
100 HG22 THR 445 HG22 THR 445 -1.204 6.991 1.523
101 HG23 THR 445 HG23 THR 445 -1.903 5.412 1.879
102 H TYR 446 HN TYR 446 -1.810 4.883 -1.197
103 HA TYR 446 HA TYR 446 -3.483 2.558 -0.525
104 HB2 TYR 446 HB2 TYR 446 -2.912 1.529 -2.578
105 HB3 TYR 446 HB1 TYR 446 -3.378 3.176 -2.968
106 HD1 TYR 446 HD1 TYR 446 -1.477 4.871 -3.372
107 HD2 TYR 446 HD2 TYR 446 -0.892 0.658 -3.299
108 HE1 TYR 446 HE1 TYR 446 0.606 5.142 -4.649
109 HE2 TYR 446 HE2 TYR 446 1.195 0.914 -4.567
110 HH TYR 446 HH TYR 446 2.153 2.642 -6.202
111 H TYR 447 HN TYR 447 -2.444 0.625 -0.002
112 HA TYR 447 HA TYR 447 0.343 0.979 0.880
113 HB2 TYR 447 HB2 TYR 447 -1.650 -0.839 2.242
114 HB3 TYR 447 HB1 TYR 447 -0.131 -0.206 2.878
115 HD1 TYR 447 HD1 TYR 447 -0.000 2.109 3.699
116 HD2 TYR 447 HD2 TYR 447 -3.660 0.485 2.271
117 HE1 TYR 447 HE1 TYR 447 -1.205 4.012 4.667
118 HE2 TYR 447 HE2 TYR 447 -4.882 2.389 3.236
119 HH TYR 447 HH TYR 447 -4.659 4.109 4.844
120 H TYR 448 HN TYR 448 1.400 -0.060 -0.752
121 HA TYR 448 HA TYR 448 0.389 -2.574 -1.734
122 HB2 TYR 448 HB2 TYR 448 1.340 -0.983 -3.319
123 HB3 TYR 448 HB1 TYR 448 2.880 -1.021 -2.466
124 HD1 TYR 448 HD1 TYR 448 0.512 -3.172 -4.359
125 HD2 TYR 448 HD2 TYR 448 4.522 -2.586 -3.063
126 HE1 TYR 448 HE1 TYR 448 1.237 -5.046 -5.775
127 HE2 TYR 448 HE2 TYR 448 5.258 -4.456 -4.481
128 HH TYR 448 HH TYR 448 3.286 -5.839 -6.877
129 H ASN 449 HN ASN 449 1.000 -4.516 -1.108
130 HA ASN 449 HA ASN 449 3.074 -4.883 0.898
131 HB2 ASN 449 HB2 ASN 449 0.868 -5.943 1.196
132 HB3 ASN 449 HB1 ASN 449 1.043 -6.770 -0.342
133 HD21 ASN 449 HD21 ASN 449 0.479 -8.027 2.080
134 HD22 ASN 449 HD22 ASN 449 1.815 -9.050 2.491
135 H ASN 450 HN ASN 450 5.102 -5.206 0.158
136 HA ASN 450 HA ASN 450 5.454 -6.211 -2.564
137 HB2 ASN 450 HB2 ASN 450 7.748 -5.411 -2.396
138 HB3 ASN 450 HB1 ASN 450 6.638 -4.134 -1.917
139 HD21 ASN 450 HD21 ASN 450 9.429 -4.401 -1.300
140 HD22 ASN 450 HD22 ASN 450 9.558 -4.467 0.425
141 H ARG 451 HN ARG 451 5.200 -7.446 0.425
142 HA ARG 451 HA ARG 451 7.325 -9.399 0.281
143 HB2 ARG 451 HB2 ARG 451 4.984 -9.428 2.180
144 HB3 ARG 451 HB1 ARG 451 6.542 -10.218 2.380
145 HG2 ARG 451 HG2 ARG 451 7.599 -7.973 2.498
146 HG3 ARG 451 HG1 ARG 451 5.985 -7.261 2.460
147 HD2 ARG 451 HD2 ARG 451 7.146 -9.076 4.566
148 HD3 ARG 451 HD1 ARG 451 6.701 -7.379 4.742
149 HE ARG 451 HE ARG 451 4.606 -9.315 4.080
150 HH11 ARG 451 HH11 ARG 451 6.062 -7.135 6.392
151 HH12 ARG 451 HH12 ARG 451 4.713 -7.184 7.489
152 HH21 ARG 451 HH21 ARG 451 2.854 -9.428 5.517
153 HH22 ARG 451 HH22 ARG 451 2.884 -8.513 6.997
154 H THR 452 HN THR 452 3.842 -9.272 -0.204
155 HA THR 452 HA THR 452 3.937 -12.030 -1.242
156 HB THR 452 HB THR 452 1.485 -10.723 -0.055
157 HG1 THR 452 HG1 THR 452 3.566 -12.229 1.179
158 HG21 THR 452 HG21 THR 452 0.725 -13.042 0.192
159 HG22 THR 452 HG22 THR 452 2.228 -13.614 -0.528
160 HG23 THR 452 HG23 THR 452 1.091 -12.674 -1.493
161 H LEU 453 HN LEU 453 3.759 -8.931 -2.228
162 HA LEU 453 HA LEU 453 3.124 -7.870 -4.137
163 HB2 LEU 453 HB2 LEU 453 2.289 -10.617 -5.082
164 HB3 LEU 453 HB1 LEU 453 2.454 -9.195 -6.093
165 HG LEU 453 HG LEU 453 4.686 -10.634 -4.656
166 HD11 LEU 453 HD11 LEU 453 5.460 -11.146 -6.915
167 HD12 LEU 453 HD12 LEU 453 4.030 -10.361 -7.584
168 HD13 LEU 453 HD13 LEU 453 3.860 -11.820 -6.608
169 HD21 LEU 453 HD21 LEU 453 4.799 -8.211 -6.445
170 HD22 LEU 453 HD22 LEU 453 6.185 -9.079 -5.787
171 HD23 LEU 453 HD23 LEU 453 5.085 -8.224 -4.706
172 H GLU 454 HN GLU 454 1.384 -8.155 -1.914
173 HA GLU 454 HA GLU 454 -1.320 -8.436 -2.961
174 HB2 GLU 454 HB2 GLU 454 -0.826 -9.361 -0.752
175 HB3 GLU 454 HB1 GLU 454 -0.224 -7.803 -0.206
176 HG2 GLU 454 HG2 GLU 454 -2.599 -6.953 -0.723
177 HG3 GLU 454 HG1 GLU 454 -3.039 -8.659 -0.728
178 H SER 455 HN SER 455 -2.789 -6.658 -3.070
179 HA SER 455 HA SER 455 -1.511 -4.029 -2.717
180 HB2 SER 455 HB2 SER 455 -2.322 -4.716 -5.054
181 HB3 SER 455 HB1 SER 455 -3.957 -4.525 -4.420
182 HG SER 455 HG SER 455 -2.129 -2.642 -5.169
183 H THR 456 HN THR 456 -2.018 -3.355 -0.738
184 HA THR 456 HA THR 456 -4.601 -4.027 0.445
185 HB THR 456 HB THR 456 -2.226 -2.655 1.719
186 HG1 THR 456 HG1 THR 456 -2.900 -5.438 1.719
187 HG21 THR 456 HG21 THR 456 -3.211 -3.192 3.800
188 HG22 THR 456 HG22 THR 456 -4.408 -4.244 3.049
189 HG23 THR 456 HG23 THR 456 -4.498 -2.500 2.820
190 H TRP 457 HN TRP 457 -6.221 -2.577 0.214
191 HA TRP 457 HA TRP 457 -5.486 0.271 0.238
192 HB2 TRP 457 HB2 TRP 457 -7.779 -1.103 -1.181
193 HB3 TRP 457 HB1 TRP 457 -7.596 0.652 -1.070
194 HD1 TRP 457 HD1 TRP 457 -5.507 -2.373 -2.292
195 HE1 TRP 457 HE1 TRP 457 -4.065 -1.621 -4.276
196 HE3 TRP 457 HE3 TRP 457 -6.902 2.549 -2.481
197 HZ2 TRP 457 HZ2 TRP 457 -3.569 0.733 -5.719
198 HZ3 TRP 457 HZ3 TRP 457 -5.910 3.981 -4.223
199 HH2 TRP 457 HH2 TRP 457 -4.287 3.089 -5.819
200 H GLU 458 HN GLU 458 -6.705 -2.029 2.158
201 HA GLU 458 HA GLU 458 -8.246 -0.065 3.712
202 HB2 GLU 458 HB2 GLU 458 -8.508 -3.081 3.684
203 HB3 GLU 458 HB1 GLU 458 -9.359 -2.009 4.785
204 HG2 GLU 458 HG2 GLU 458 -9.649 -2.055 1.787
205 HG3 GLU 458 HG1 GLU 458 -10.792 -2.723 2.952
206 H LYS 459 HN LYS 459 -7.136 0.610 5.437
207 HA LYS 459 HA LYS 459 -4.604 -0.362 6.129
208 HB2 LYS 459 HB2 LYS 459 -6.488 1.253 7.840
209 HB3 LYS 459 HB1 LYS 459 -4.770 1.035 8.139
210 HG2 LYS 459 HG2 LYS 459 -4.504 2.056 5.765
211 HG3 LYS 459 HG1 LYS 459 -6.140 2.656 6.047
212 HD2 LYS 459 HD2 LYS 459 -3.657 3.214 7.669
213 HD3 LYS 459 HD1 LYS 459 -4.614 4.362 6.735
214 HE2 LYS 459 HE2 LYS 459 -5.374 4.815 8.854
215 HE3 LYS 459 HE1 LYS 459 -6.542 3.598 8.342
216 HZ1 LYS 459 HZ1 LYS 459 -4.743 2.015 9.427
217 HZ2 LYS 459 HZ2 LYS 459 -5.964 2.737 10.343
218 HZ3 LYS 459 HZ3 LYS 459 -4.408 3.410 10.333
219 HA PRO 460 HA PRO 460 -5.684 -3.871 8.835
220 HB2 PRO 460 HB2 PRO 460 -2.812 -3.496 9.484
221 HB3 PRO 460 HB1 PRO 460 -3.682 -4.971 9.052
222 HG2 PRO 460 HG2 PRO 460 -2.035 -3.769 7.323
223 HG3 PRO 460 HG1 PRO 460 -3.529 -4.558 6.787
224 HD2 PRO 460 HD2 PRO 460 -2.919 -1.657 7.092
225 HD3 PRO 460 HD1 PRO 460 -3.944 -2.489 5.902
Start of MODEL 8
1 H1 SER 433 HT1 SER 433 7.113 1.561 4.842
2 H2 SER 433 HT2 SER 433 8.791 1.521 5.087
3 H3 SER 433 HT3 SER 433 7.775 2.213 6.257
4 HA SER 433 HA SER 433 8.558 0.004 6.897
5 HB2 SER 433 HB2 SER 433 6.352 -0.822 7.570
6 HB3 SER 433 HB1 SER 433 6.367 0.933 7.664
7 HG SER 433 HG SER 433 4.977 1.069 6.054
8 H GLU 434 HN GLU 434 7.160 -2.390 6.428
9 HA GLU 434 HA GLU 434 8.119 -3.206 3.860
10 HB2 GLU 434 HB2 GLU 434 6.873 -5.350 4.384
11 HB3 GLU 434 HB1 GLU 434 8.130 -4.896 5.524
12 HG2 GLU 434 HG2 GLU 434 5.269 -4.169 6.022
13 HG3 GLU 434 HG1 GLU 434 5.889 -5.770 6.428
14 H TRP 435 HN TRP 435 5.339 -1.696 5.002
15 HA TRP 435 HA TRP 435 3.727 -2.368 2.668
16 HB2 TRP 435 HB2 TRP 435 3.161 -0.347 4.853
17 HB3 TRP 435 HB1 TRP 435 2.013 -0.995 3.689
18 HD1 TRP 435 HD1 TRP 435 2.963 -1.369 7.161
19 HE1 TRP 435 HE1 TRP 435 2.118 -3.590 8.144
20 HE3 TRP 435 HE3 TRP 435 1.816 -3.776 2.811
21 HZ2 TRP 435 HZ2 TRP 435 1.103 -6.057 7.186
22 HZ3 TRP 435 HZ3 TRP 435 0.926 -6.060 2.925
23 HH2 TRP 435 HH2 TRP 435 0.565 -7.176 5.056
24 H THR 436 HN THR 436 3.549 -1.006 0.924
25 HA THR 436 HA THR 436 5.213 1.382 0.942
26 HB THR 436 HB THR 436 3.621 0.108 -1.294
27 HG1 THR 436 HG1 THR 436 6.312 0.016 -0.446
28 HG21 THR 436 HG21 THR 436 3.806 2.527 -1.647
29 HG22 THR 436 HG22 THR 436 4.827 1.648 -2.787
30 HG23 THR 436 HG23 THR 436 5.548 2.437 -1.385
31 H GLU 437 HN GLU 437 4.219 2.926 2.132
32 HA GLU 437 HA GLU 437 1.416 3.538 1.642
33 HB2 GLU 437 HB2 GLU 437 3.251 5.182 3.373
34 HB3 GLU 437 HB1 GLU 437 1.512 4.976 3.503
35 HG2 GLU 437 HG2 GLU 437 2.159 3.694 5.252
36 HG3 GLU 437 HG1 GLU 437 2.207 2.471 3.985
37 H ARG 438 HN ARG 438 1.229 4.417 -0.341
38 HA ARG 438 HA ARG 438 3.071 6.606 -1.029
39 HB2 ARG 438 HB2 ARG 438 3.479 4.482 -2.238
40 HB3 ARG 438 HB1 ARG 438 1.853 4.572 -2.893
41 HG2 ARG 438 HG2 ARG 438 2.395 6.531 -4.146
42 HG3 ARG 438 HG1 ARG 438 3.975 6.653 -3.363
43 HD2 ARG 438 HD2 ARG 438 4.661 4.548 -4.354
44 HD3 ARG 438 HD1 ARG 438 3.063 4.336 -5.069
45 HE ARG 438 HE ARG 438 4.092 6.773 -5.973
46 HH11 ARG 438 HH11 ARG 438 4.844 3.358 -6.208
47 HH12 ARG 438 HH12 ARG 438 5.502 3.477 -7.811
48 HH21 ARG 438 HH21 ARG 438 4.919 6.929 -8.102
49 HH22 ARG 438 HH22 ARG 438 5.528 5.506 -8.897
50 H LYS 439 HN LYS 439 1.809 8.589 -1.140
51 HA LYS 439 HA LYS 439 -1.026 8.320 -1.641
52 HB2 LYS 439 HB2 LYS 439 -0.152 9.756 0.207
53 HB3 LYS 439 HB1 LYS 439 0.561 10.804 -1.011
54 HG2 LYS 439 HG2 LYS 439 -1.596 11.394 -1.863
55 HG3 LYS 439 HG1 LYS 439 -2.383 10.206 -0.821
56 HD2 LYS 439 HD2 LYS 439 -0.844 12.629 0.119
57 HD3 LYS 439 HD1 LYS 439 -2.601 12.487 0.066
58 HE2 LYS 439 HE2 LYS 439 -2.468 10.593 1.643
59 HE3 LYS 439 HE1 LYS 439 -0.719 10.804 1.722
60 HZ1 LYS 439 HZ1 LYS 439 -1.074 13.031 2.609
61 HZ2 LYS 439 HZ2 LYS 439 -1.803 11.858 3.594
62 HZ3 LYS 439 HZ3 LYS 439 -2.756 12.803 2.555
63 H THR 440 HN THR 440 -1.691 8.253 -3.642
64 HA THR 440 HA THR 440 -0.182 9.570 -5.748
65 HB THR 440 HB THR 440 -0.921 7.316 -6.235
66 HG1 THR 440 HG1 THR 440 -1.378 7.865 -8.225
67 HG21 THR 440 HG21 THR 440 -3.303 6.745 -6.417
68 HG22 THR 440 HG22 THR 440 -3.725 8.336 -5.784
69 HG23 THR 440 HG23 THR 440 -2.858 7.184 -4.767
70 H ALA 441 HN ALA 441 -1.094 11.056 -7.205
71 HA ALA 441 HA ALA 441 -2.645 13.078 -5.956
72 HB1 ALA 441 HB1 ALA 441 -1.898 12.806 -8.863
73 HB2 ALA 441 HB2 ALA 441 -0.913 13.572 -7.617
74 HB3 ALA 441 HB3 ALA 441 -2.470 14.269 -8.063
75 H ASP 442 HN ASP 442 -3.585 10.224 -7.339
76 HA ASP 442 HA ASP 442 -6.078 10.909 -8.480
77 HB2 ASP 442 HB2 ASP 442 -5.007 8.674 -8.677
78 HB3 ASP 442 HB1 ASP 442 -5.313 8.396 -6.967
79 H GLY 443 HN GLY 443 -4.882 11.174 -5.353
80 HA2 GLY 443 HA2 GLY 443 -5.969 12.213 -3.559
81 HA3 GLY 443 HA1 GLY 443 -7.515 11.868 -4.322
82 H LYS 444 HN LYS 444 -5.043 9.429 -3.900
83 HA LYS 444 HA LYS 444 -6.498 8.288 -1.628
84 HB2 LYS 444 HB2 LYS 444 -5.868 6.686 -4.116
85 HB3 LYS 444 HB1 LYS 444 -6.613 6.074 -2.649
86 HG2 LYS 444 HG2 LYS 444 -8.438 7.858 -3.154
87 HG3 LYS 444 HG1 LYS 444 -7.779 7.796 -4.790
88 HD2 LYS 444 HD2 LYS 444 -8.065 5.290 -4.676
89 HD3 LYS 444 HD1 LYS 444 -8.979 5.543 -3.189
90 HE2 LYS 444 HE2 LYS 444 -10.643 5.454 -4.805
91 HE3 LYS 444 HE1 LYS 444 -10.380 7.188 -4.614
92 HZ1 LYS 444 HZ1 LYS 444 -9.239 5.475 -6.755
93 HZ2 LYS 444 HZ2 LYS 444 -8.926 7.132 -6.570
94 HZ3 LYS 444 HZ3 LYS 444 -10.495 6.598 -6.947
95 H THR 445 HN THR 445 -5.226 7.189 -0.224
96 HA THR 445 HA THR 445 -2.402 6.865 -0.926
97 HB THR 445 HB THR 445 -3.707 6.701 1.796
98 HG1 THR 445 HG1 THR 445 -3.760 8.834 1.015
99 HG21 THR 445 HG21 THR 445 -1.623 5.410 1.631
100 HG22 THR 445 HG22 THR 445 -1.422 6.828 2.660
101 HG23 THR 445 HG23 THR 445 -0.790 6.838 1.013
102 H TYR 446 HN TYR 446 -2.016 4.887 -1.810
103 HA TYR 446 HA TYR 446 -3.674 2.661 -0.886
104 HB2 TYR 446 HB2 TYR 446 -3.214 1.553 -2.905
105 HB3 TYR 446 HB1 TYR 446 -3.496 3.225 -3.353
106 HD1 TYR 446 HD1 TYR 446 -1.385 4.694 -3.755
107 HD2 TYR 446 HD2 TYR 446 -1.319 0.441 -3.610
108 HE1 TYR 446 HE1 TYR 446 0.726 4.684 -5.019
109 HE2 TYR 446 HE2 TYR 446 0.792 0.422 -4.867
110 HH TYR 446 HH TYR 446 2.008 1.893 -6.437
111 H TYR 447 HN TYR 447 -2.783 0.735 -0.192
112 HA TYR 447 HA TYR 447 -0.010 1.006 0.740
113 HB2 TYR 447 HB2 TYR 447 -1.993 -0.868 1.994
114 HB3 TYR 447 HB1 TYR 447 -0.587 -0.091 2.719
115 HD1 TYR 447 HD1 TYR 447 -0.712 2.406 3.219
116 HD2 TYR 447 HD2 TYR 447 -4.127 0.111 2.139
117 HE1 TYR 447 HE1 TYR 447 -2.170 4.181 4.083
118 HE2 TYR 447 HE2 TYR 447 -5.595 1.877 3.009
119 HH TYR 447 HH TYR 447 -5.547 3.743 4.520
120 H TYR 448 HN TYR 448 1.143 -0.055 -0.810
121 HA TYR 448 HA TYR 448 0.240 -2.615 -1.784
122 HB2 TYR 448 HB2 TYR 448 1.365 -1.024 -3.287
123 HB3 TYR 448 HB1 TYR 448 2.821 -1.122 -2.301
124 HD1 TYR 448 HD1 TYR 448 0.612 -3.021 -4.576
125 HD2 TYR 448 HD2 TYR 448 4.356 -2.918 -2.563
126 HE1 TYR 448 HE1 TYR 448 1.377 -4.932 -5.919
127 HE2 TYR 448 HE2 TYR 448 5.136 -4.830 -3.893
128 HH TYR 448 HH TYR 448 4.308 -6.626 -5.217
129 H ASN 449 HN ASN 449 0.893 -4.550 -1.152
130 HA ASN 449 HA ASN 449 2.568 -4.799 1.214
131 HB2 ASN 449 HB2 ASN 449 0.394 -5.962 1.087
132 HB3 ASN 449 HB1 ASN 449 0.922 -6.808 -0.358
133 HD21 ASN 449 HD21 ASN 449 -0.069 -8.079 1.914
134 HD22 ASN 449 HD22 ASN 449 1.211 -9.014 2.615
135 H ASN 450 HN ASN 450 4.697 -5.207 0.997
136 HA ASN 450 HA ASN 450 5.655 -6.197 -1.586
137 HB2 ASN 450 HB2 ASN 450 7.157 -4.898 0.688
138 HB3 ASN 450 HB1 ASN 450 7.893 -5.436 -0.815
139 HD21 ASN 450 HD21 ASN 450 5.892 -3.080 0.720
140 HD22 ASN 450 HD22 ASN 450 5.835 -1.959 -0.602
141 H ARG 451 HN ARG 451 4.860 -7.416 1.378
142 HA ARG 451 HA ARG 451 7.026 -9.323 1.576
143 HB2 ARG 451 HB2 ARG 451 4.494 -8.949 3.168
144 HB3 ARG 451 HB1 ARG 451 5.604 -10.284 3.445
145 HG2 ARG 451 HG2 ARG 451 6.271 -7.357 3.686
146 HG3 ARG 451 HG1 ARG 451 5.979 -8.475 5.020
147 HD2 ARG 451 HD2 ARG 451 7.893 -9.830 4.284
148 HD3 ARG 451 HD1 ARG 451 8.196 -8.677 2.984
149 HE ARG 451 HE ARG 451 8.238 -7.768 5.785
150 HH11 ARG 451 HH11 ARG 451 9.893 -8.358 2.746
151 HH12 ARG 451 HH12 ARG 451 11.319 -7.472 3.206
152 HH21 ARG 451 HH21 ARG 451 10.128 -6.606 6.388
153 HH22 ARG 451 HH22 ARG 451 11.462 -6.507 5.279
154 H THR 452 HN THR 452 3.610 -9.313 0.696
155 HA THR 452 HA THR 452 3.935 -12.062 -0.324
156 HB THR 452 HB THR 452 1.277 -10.764 0.224
157 HG1 THR 452 HG1 THR 452 2.070 -12.401 2.237
158 HG21 THR 452 HG21 THR 452 0.559 -13.086 0.554
159 HG22 THR 452 HG22 THR 452 2.208 -13.642 0.266
160 HG23 THR 452 HG23 THR 452 1.296 -12.870 -1.032
161 H LEU 453 HN LEU 453 3.993 -8.986 -1.332
162 HA LEU 453 HA LEU 453 3.462 -7.779 -3.170
163 HB2 LEU 453 HB2 LEU 453 3.317 -10.486 -4.507
164 HB3 LEU 453 HB1 LEU 453 3.418 -8.943 -5.333
165 HG LEU 453 HG LEU 453 5.548 -10.159 -3.575
166 HD11 LEU 453 HD11 LEU 453 5.465 -9.665 -6.546
167 HD12 LEU 453 HD12 LEU 453 5.335 -11.235 -5.753
168 HD13 LEU 453 HD13 LEU 453 6.833 -10.311 -5.638
169 HD21 LEU 453 HD21 LEU 453 5.548 -7.563 -5.107
170 HD22 LEU 453 HD22 LEU 453 6.927 -8.264 -4.260
171 HD23 LEU 453 HD23 LEU 453 5.511 -7.736 -3.352
172 H GLU 454 HN GLU 454 1.531 -7.150 -2.141
173 HA GLU 454 HA GLU 454 -0.933 -8.380 -3.189
174 HB2 GLU 454 HB2 GLU 454 -0.407 -9.222 -0.911
175 HB3 GLU 454 HB1 GLU 454 -0.385 -7.569 -0.323
176 HG2 GLU 454 HG2 GLU 454 -2.824 -7.573 -1.348
177 HG3 GLU 454 HG1 GLU 454 -2.662 -9.303 -1.038
178 H SER 455 HN SER 455 -2.683 -6.939 -3.413
179 HA SER 455 HA SER 455 -2.003 -4.104 -3.224
180 HB2 SER 455 HB2 SER 455 -2.929 -5.064 -5.361
181 HB3 SER 455 HB1 SER 455 -4.434 -5.384 -4.506
182 HG SER 455 HG SER 455 -4.813 -3.446 -5.336
183 H THR 456 HN THR 456 -2.323 -3.456 -1.150
184 HA THR 456 HA THR 456 -4.695 -4.422 0.288
185 HB THR 456 HB THR 456 -2.321 -2.997 1.496
186 HG1 THR 456 HG1 THR 456 -2.691 -5.818 1.147
187 HG21 THR 456 HG21 THR 456 -4.319 -3.149 2.898
188 HG22 THR 456 HG22 THR 456 -3.030 -4.170 3.536
189 HG23 THR 456 HG23 THR 456 -4.372 -4.894 2.652
190 H TRP 457 HN TRP 457 -6.380 -3.044 0.297
191 HA TRP 457 HA TRP 457 -5.765 -0.166 0.305
192 HB2 TRP 457 HB2 TRP 457 -8.007 -1.635 -1.093
193 HB3 TRP 457 HB1 TRP 457 -7.960 0.125 -0.917
194 HD1 TRP 457 HD1 TRP 457 -5.648 -2.674 -2.271
195 HE1 TRP 457 HE1 TRP 457 -4.304 -1.744 -4.245
196 HE3 TRP 457 HE3 TRP 457 -7.452 2.115 -2.298
197 HZ2 TRP 457 HZ2 TRP 457 -4.010 0.672 -5.606
198 HZ3 TRP 457 HZ3 TRP 457 -6.595 3.673 -4.000
199 HH2 TRP 457 HH2 TRP 457 -4.920 2.962 -5.634
200 H GLU 458 HN GLU 458 -6.675 -2.475 2.278
201 HA GLU 458 HA GLU 458 -8.177 -0.559 3.933
202 HB2 GLU 458 HB2 GLU 458 -8.173 -3.583 4.124
203 HB3 GLU 458 HB1 GLU 458 -9.033 -2.492 5.202
204 HG2 GLU 458 HG2 GLU 458 -10.334 -1.689 3.239
205 HG3 GLU 458 HG1 GLU 458 -9.558 -2.947 2.277
206 H LYS 459 HN LYS 459 -7.125 0.096 5.751
207 HA LYS 459 HA LYS 459 -4.373 -0.504 5.991
208 HB2 LYS 459 HB2 LYS 459 -6.248 0.922 7.877
209 HB3 LYS 459 HB1 LYS 459 -4.510 0.806 8.128
210 HG2 LYS 459 HG2 LYS 459 -4.263 1.869 5.840
211 HG3 LYS 459 HG1 LYS 459 -5.985 2.234 5.944
212 HD2 LYS 459 HD2 LYS 459 -4.647 4.129 6.668
213 HD3 LYS 459 HD1 LYS 459 -5.592 3.483 8.015
214 HE2 LYS 459 HE2 LYS 459 -3.601 2.254 8.783
215 HE3 LYS 459 HE1 LYS 459 -2.673 2.953 7.457
216 HZ1 LYS 459 HZ1 LYS 459 -3.179 5.173 8.400
217 HZ2 LYS 459 HZ2 LYS 459 -2.257 4.197 9.436
218 HZ3 LYS 459 HZ3 LYS 459 -3.912 4.415 9.732
219 HA PRO 460 HA PRO 460 -4.668 -4.286 8.357
220 HB2 PRO 460 HB2 PRO 460 -1.989 -4.379 8.967
221 HB3 PRO 460 HB1 PRO 460 -2.682 -4.968 7.453
222 HG2 PRO 460 HG2 PRO 460 -1.321 -2.374 8.035
223 HG3 PRO 460 HG1 PRO 460 -1.194 -3.413 6.603
224 HD2 PRO 460 HD2 PRO 460 -2.687 -1.171 6.613
225 HD3 PRO 460 HD1 PRO 460 -3.165 -2.613 5.694
Start of MODEL 9
1 H1 SER 433 HT1 SER 433 10.912 -1.873 4.316
2 H2 SER 433 HT2 SER 433 10.548 -1.601 5.953
3 H3 SER 433 HT3 SER 433 10.993 -0.306 4.954
4 HA SER 433 HA SER 433 8.623 -0.330 5.372
5 HB2 SER 433 HB2 SER 433 9.413 -1.008 2.526
6 HB3 SER 433 HB1 SER 433 7.907 -0.223 3.003
7 HG SER 433 HG SER 433 8.981 1.565 2.865
8 H GLU 434 HN GLU 434 7.193 -1.670 6.203
9 HA GLU 434 HA GLU 434 6.995 -4.422 5.220
10 HB2 GLU 434 HB2 GLU 434 6.971 -3.711 7.717
11 HB3 GLU 434 HB1 GLU 434 5.322 -3.191 7.405
12 HG2 GLU 434 HG2 GLU 434 5.121 -5.336 8.305
13 HG3 GLU 434 HG1 GLU 434 4.897 -5.547 6.569
14 H TRP 435 HN TRP 435 5.146 -1.450 5.559
15 HA TRP 435 HA TRP 435 3.335 -2.360 3.424
16 HB2 TRP 435 HB2 TRP 435 2.496 -0.610 5.752
17 HB3 TRP 435 HB1 TRP 435 1.459 -1.263 4.492
18 HD1 TRP 435 HD1 TRP 435 2.221 -1.825 7.963
19 HE1 TRP 435 HE1 TRP 435 1.633 -4.216 8.711
20 HE3 TRP 435 HE3 TRP 435 1.713 -4.010 3.373
21 HZ2 TRP 435 HZ2 TRP 435 1.043 -6.702 7.511
22 HZ3 TRP 435 HZ3 TRP 435 1.156 -6.400 3.261
23 HH2 TRP 435 HH2 TRP 435 0.822 -7.716 5.281
24 H THR 436 HN THR 436 3.455 -0.983 1.696
25 HA THR 436 HA THR 436 4.775 1.584 2.075
26 HB THR 436 HB THR 436 3.869 0.184 -0.447
27 HG1 THR 436 HG1 THR 436 5.680 -0.839 -0.014
28 HG21 THR 436 HG21 THR 436 5.451 2.745 -0.136
29 HG22 THR 436 HG22 THR 436 3.807 2.612 -0.765
30 HG23 THR 436 HG23 THR 436 5.154 1.903 -1.657
31 H GLU 437 HN GLU 437 3.398 3.079 2.898
32 HA GLU 437 HA GLU 437 0.785 3.417 1.671
33 HB2 GLU 437 HB2 GLU 437 2.099 5.122 3.799
34 HB3 GLU 437 HB1 GLU 437 0.418 5.202 3.294
35 HG2 GLU 437 HG2 GLU 437 0.216 2.801 4.089
36 HG3 GLU 437 HG1 GLU 437 1.794 3.032 4.841
37 H ARG 438 HN ARG 438 1.192 4.047 -0.395
38 HA ARG 438 HA ARG 438 2.981 6.335 -0.754
39 HB2 ARG 438 HB2 ARG 438 3.581 4.348 -2.032
40 HB3 ARG 438 HB1 ARG 438 1.982 4.306 -2.759
41 HG2 ARG 438 HG2 ARG 438 2.409 6.391 -3.909
42 HG3 ARG 438 HG1 ARG 438 3.981 6.528 -3.119
43 HD2 ARG 438 HD2 ARG 438 3.182 4.240 -4.906
44 HD3 ARG 438 HD1 ARG 438 4.053 5.665 -5.466
45 HE ARG 438 HE ARG 438 5.640 4.838 -3.485
46 HH11 ARG 438 HH11 ARG 438 4.076 3.001 -6.020
47 HH12 ARG 438 HH12 ARG 438 5.389 1.872 -6.186
48 HH21 ARG 438 HH21 ARG 438 7.368 3.380 -3.700
49 HH22 ARG 438 HH22 ARG 438 7.283 2.099 -4.877
50 H LYS 439 HN LYS 439 2.074 8.345 -1.590
51 HA LYS 439 HA LYS 439 -0.825 8.322 -1.748
52 HB2 LYS 439 HB2 LYS 439 0.221 10.010 -0.325
53 HB3 LYS 439 HB1 LYS 439 1.155 10.609 -1.688
54 HG2 LYS 439 HG2 LYS 439 -0.828 11.397 -2.780
55 HG3 LYS 439 HG1 LYS 439 -1.851 10.652 -1.549
56 HD2 LYS 439 HD2 LYS 439 -1.665 13.026 -1.130
57 HD3 LYS 439 HD1 LYS 439 -0.845 12.129 0.146
58 HE2 LYS 439 HE2 LYS 439 0.504 14.018 -0.482
59 HE3 LYS 439 HE1 LYS 439 1.306 12.539 -1.003
60 HZ1 LYS 439 HZ1 LYS 439 0.805 12.954 -3.220
61 HZ2 LYS 439 HZ2 LYS 439 1.209 14.489 -2.621
62 HZ3 LYS 439 HZ3 LYS 439 -0.418 14.072 -2.851
63 H THR 440 HN THR 440 -1.700 7.969 -3.640
64 HA THR 440 HA THR 440 -0.361 8.716 -6.103
65 HB THR 440 HB THR 440 -3.114 7.821 -6.393
66 HG1 THR 440 HG1 THR 440 -2.874 6.697 -4.500
67 HG21 THR 440 HG21 THR 440 -0.412 6.787 -7.225
68 HG22 THR 440 HG22 THR 440 -1.617 7.607 -8.222
69 HG23 THR 440 HG23 THR 440 -1.917 5.968 -7.639
70 H ALA 441 HN ALA 441 -1.068 10.309 -7.530
71 HA ALA 441 HA ALA 441 -2.066 12.643 -6.294
72 HB1 ALA 441 HB1 ALA 441 -1.716 12.087 -9.234
73 HB2 ALA 441 HB2 ALA 441 -0.469 12.689 -8.141
74 HB3 ALA 441 HB3 ALA 441 -1.890 13.675 -8.488
75 H ASP 442 HN ASP 442 -3.726 10.029 -7.621
76 HA ASP 442 HA ASP 442 -6.086 11.290 -8.530
77 HB2 ASP 442 HB2 ASP 442 -5.522 8.941 -9.017
78 HB3 ASP 442 HB1 ASP 442 -5.726 8.541 -7.316
79 H GLY 443 HN GLY 443 -4.744 11.170 -5.473
80 HA2 GLY 443 HA2 GLY 443 -5.606 12.248 -3.579
81 HA3 GLY 443 HA1 GLY 443 -7.216 12.151 -4.279
82 H LYS 444 HN LYS 444 -5.129 9.393 -4.160
83 HA LYS 444 HA LYS 444 -6.456 8.377 -1.772
84 HB2 LYS 444 HB2 LYS 444 -6.832 6.170 -2.910
85 HB3 LYS 444 HB1 LYS 444 -7.874 7.471 -3.459
86 HG2 LYS 444 HG2 LYS 444 -6.826 7.608 -5.524
87 HG3 LYS 444 HG1 LYS 444 -5.361 6.811 -4.942
88 HD2 LYS 444 HD2 LYS 444 -6.504 4.703 -4.793
89 HD3 LYS 444 HD1 LYS 444 -8.046 5.457 -5.191
90 HE2 LYS 444 HE2 LYS 444 -5.757 5.687 -7.095
91 HE3 LYS 444 HE1 LYS 444 -6.667 4.177 -7.013
92 HZ1 LYS 444 HZ1 LYS 444 -8.672 5.350 -7.536
93 HZ2 LYS 444 HZ2 LYS 444 -7.511 5.738 -8.707
94 HZ3 LYS 444 HZ3 LYS 444 -7.885 6.851 -7.482
95 H THR 445 HN THR 445 -5.077 7.380 -0.478
96 HA THR 445 HA THR 445 -2.374 6.845 -1.398
97 HB THR 445 HB THR 445 -3.547 6.521 1.375
98 HG1 THR 445 HG1 THR 445 -2.795 8.603 1.764
99 HG21 THR 445 HG21 THR 445 -1.437 5.324 1.028
100 HG22 THR 445 HG22 THR 445 -1.225 6.689 2.124
101 HG23 THR 445 HG23 THR 445 -0.685 6.811 0.449
102 H TYR 446 HN TYR 446 -1.847 4.833 -2.146
103 HA TYR 446 HA TYR 446 -3.631 2.640 -1.369
104 HB2 TYR 446 HB2 TYR 446 -2.980 1.469 -3.348
105 HB3 TYR 446 HB1 TYR 446 -3.409 3.106 -3.802
106 HD1 TYR 446 HD1 TYR 446 -1.542 4.734 -4.384
107 HD2 TYR 446 HD2 TYR 446 -0.879 0.562 -3.842
108 HE1 TYR 446 HE1 TYR 446 0.573 4.907 -5.630
109 HE2 TYR 446 HE2 TYR 446 1.235 0.734 -5.085
110 HH TYR 446 HH TYR 446 2.191 2.287 -6.871
111 H TYR 447 HN TYR 447 -2.856 0.809 -0.375
112 HA TYR 447 HA TYR 447 -0.131 1.090 0.650
113 HB2 TYR 447 HB2 TYR 447 -2.085 -0.902 1.746
114 HB3 TYR 447 HB1 TYR 447 -0.783 -0.046 2.571
115 HD1 TYR 447 HD1 TYR 447 -1.188 2.674 2.420
116 HD2 TYR 447 HD2 TYR 447 -4.200 -0.322 2.425
117 HE1 TYR 447 HE1 TYR 447 -2.808 4.324 3.244
118 HE2 TYR 447 HE2 TYR 447 -5.837 1.317 3.243
119 HH TYR 447 HH TYR 447 -5.924 3.436 4.383
120 H TYR 448 HN TYR 448 0.991 0.261 -1.064
121 HA TYR 448 HA TYR 448 0.409 -2.420 -1.991
122 HB2 TYR 448 HB2 TYR 448 1.071 -1.020 -3.736
123 HB3 TYR 448 HB1 TYR 448 2.349 -0.273 -2.789
124 HD1 TYR 448 HD1 TYR 448 1.401 -3.481 -4.452
125 HD2 TYR 448 HD2 TYR 448 4.546 -1.006 -3.001
126 HE1 TYR 448 HE1 TYR 448 3.056 -4.976 -5.496
127 HE2 TYR 448 HE2 TYR 448 6.204 -2.493 -4.036
128 HH TYR 448 HH TYR 448 5.403 -4.838 -6.324
129 H ASN 449 HN ASN 449 1.201 -4.167 -1.054
130 HA ASN 449 HA ASN 449 3.437 -3.934 0.803
131 HB2 ASN 449 HB2 ASN 449 1.639 -5.110 1.761
132 HB3 ASN 449 HB1 ASN 449 1.345 -6.033 0.290
133 HD21 ASN 449 HD21 ASN 449 3.559 -5.594 2.987
134 HD22 ASN 449 HD22 ASN 449 4.200 -7.200 2.942
135 H ASN 450 HN ASN 450 5.396 -4.740 0.432
136 HA ASN 450 HA ASN 450 5.923 -5.809 -2.232
137 HB2 ASN 450 HB2 ASN 450 8.319 -5.350 -1.636
138 HB3 ASN 450 HB1 ASN 450 7.287 -3.922 -1.618
139 HD21 ASN 450 HD21 ASN 450 9.176 -6.126 0.296
140 HD22 ASN 450 HD22 ASN 450 9.102 -5.214 1.765
141 H ARG 451 HN ARG 451 5.331 -6.971 0.807
142 HA ARG 451 HA ARG 451 7.299 -9.015 0.984
143 HB2 ARG 451 HB2 ARG 451 4.667 -8.645 2.384
144 HB3 ARG 451 HB1 ARG 451 5.715 -10.025 2.688
145 HG2 ARG 451 HG2 ARG 451 6.392 -7.123 3.118
146 HG3 ARG 451 HG1 ARG 451 6.092 -8.339 4.364
147 HD2 ARG 451 HD2 ARG 451 8.045 -9.589 3.634
148 HD3 ARG 451 HD1 ARG 451 8.327 -8.429 2.339
149 HE ARG 451 HE ARG 451 8.355 -7.486 5.117
150 HH11 ARG 451 HH11 ARG 451 10.004 -8.099 2.088
151 HH12 ARG 451 HH12 ARG 451 11.485 -7.338 2.585
152 HH21 ARG 451 HH21 ARG 451 10.325 -6.517 5.791
153 HH22 ARG 451 HH22 ARG 451 11.678 -6.466 4.698
154 H THR 452 HN THR 452 3.794 -9.431 0.527
155 HA THR 452 HA THR 452 4.388 -11.820 -1.064
156 HB THR 452 HB THR 452 2.839 -12.148 0.822
157 HG1 THR 452 HG1 THR 452 1.905 -12.453 -1.833
158 HG21 THR 452 HG21 THR 452 0.593 -11.170 0.764
159 HG22 THR 452 HG22 THR 452 1.039 -10.227 -0.658
160 HG23 THR 452 HG23 THR 452 1.833 -9.922 0.888
161 H LEU 453 HN LEU 453 3.995 -8.661 -1.540
162 HA LEU 453 HA LEU 453 3.571 -7.339 -3.330
163 HB2 LEU 453 HB2 LEU 453 3.045 -9.924 -4.809
164 HB3 LEU 453 HB1 LEU 453 3.236 -8.345 -5.548
165 HG LEU 453 HG LEU 453 5.374 -9.841 -4.027
166 HD11 LEU 453 HD11 LEU 453 4.902 -10.870 -6.169
167 HD12 LEU 453 HD12 LEU 453 6.457 -10.040 -6.217
168 HD13 LEU 453 HD13 LEU 453 5.042 -9.307 -6.974
169 HD21 LEU 453 HD21 LEU 453 6.871 -8.077 -4.823
170 HD22 LEU 453 HD22 LEU 453 5.608 -7.436 -3.772
171 HD23 LEU 453 HD23 LEU 453 5.493 -7.225 -5.520
172 H GLU 454 HN GLU 454 1.684 -7.582 -1.476
173 HA GLU 454 HA GLU 454 -0.875 -8.238 -2.717
174 HB2 GLU 454 HB2 GLU 454 -0.410 -9.077 -0.446
175 HB3 GLU 454 HB1 GLU 454 -0.200 -7.426 0.122
176 HG2 GLU 454 HG2 GLU 454 -2.553 -6.967 -0.491
177 HG3 GLU 454 HG1 GLU 454 -2.733 -8.668 -0.916
178 H SER 455 HN SER 455 -2.382 -6.712 -3.283
179 HA SER 455 HA SER 455 -1.701 -3.906 -2.850
180 HB2 SER 455 HB2 SER 455 -2.510 -4.771 -5.105
181 HB3 SER 455 HB1 SER 455 -4.086 -5.015 -4.356
182 HG SER 455 HG SER 455 -2.676 -2.594 -4.793
183 H THR 456 HN THR 456 -2.203 -3.283 -0.847
184 HA THR 456 HA THR 456 -4.578 -4.399 0.465
185 HB THR 456 HB THR 456 -2.358 -2.796 1.747
186 HG1 THR 456 HG1 THR 456 -2.520 -5.650 1.671
187 HG21 THR 456 HG21 THR 456 -3.093 -3.916 3.792
188 HG22 THR 456 HG22 THR 456 -4.329 -4.785 2.880
189 HG23 THR 456 HG23 THR 456 -4.425 -3.032 3.048
190 H TRP 457 HN TRP 457 -6.351 -3.138 0.622
191 HA TRP 457 HA TRP 457 -5.938 -0.222 0.629
192 HB2 TRP 457 HB2 TRP 457 -8.171 -1.804 -0.654
193 HB3 TRP 457 HB1 TRP 457 -8.162 -0.044 -0.503
194 HD1 TRP 457 HD1 TRP 457 -5.991 -2.838 -2.090
195 HE1 TRP 457 HE1 TRP 457 -4.780 -1.857 -4.133
196 HE3 TRP 457 HE3 TRP 457 -7.619 1.987 -1.731
197 HZ2 TRP 457 HZ2 TRP 457 -4.552 0.637 -5.424
198 HZ3 TRP 457 HZ3 TRP 457 -6.871 3.609 -3.417
199 HH2 TRP 457 HH2 TRP 457 -5.375 2.948 -5.232
200 H GLU 458 HN GLU 458 -6.712 -2.647 2.601
201 HA GLU 458 HA GLU 458 -8.498 -0.966 4.218
202 HB2 GLU 458 HB2 GLU 458 -8.093 -3.970 4.320
203 HB3 GLU 458 HB1 GLU 458 -9.115 -3.054 5.415
204 HG2 GLU 458 HG2 GLU 458 -10.605 -3.969 3.895
205 HG3 GLU 458 HG1 GLU 458 -10.387 -2.319 3.323
206 H LYS 459 HN LYS 459 -7.505 -0.053 5.940
207 HA LYS 459 HA LYS 459 -4.775 -0.739 6.509
208 HB2 LYS 459 HB2 LYS 459 -6.679 1.269 7.686
209 HB3 LYS 459 HB1 LYS 459 -5.086 0.993 8.380
210 HG2 LYS 459 HG2 LYS 459 -4.067 1.557 6.218
211 HG3 LYS 459 HG1 LYS 459 -5.671 1.883 5.564
212 HD2 LYS 459 HD2 LYS 459 -4.652 3.965 6.181
213 HD3 LYS 459 HD1 LYS 459 -5.969 3.629 7.305
214 HE2 LYS 459 HE2 LYS 459 -4.033 4.476 8.493
215 HE3 LYS 459 HE1 LYS 459 -4.350 2.804 8.943
216 HZ1 LYS 459 HZ1 LYS 459 -1.969 3.382 8.544
217 HZ2 LYS 459 HZ2 LYS 459 -2.330 3.572 6.898
218 HZ3 LYS 459 HZ3 LYS 459 -2.535 2.062 7.648
219 HA PRO 460 HA PRO 460 -5.882 -3.772 9.615
220 HB2 PRO 460 HB2 PRO 460 -3.376 -4.662 10.062
221 HB3 PRO 460 HB1 PRO 460 -4.286 -5.104 8.612
222 HG2 PRO 460 HG2 PRO 460 -2.141 -3.051 8.950
223 HG3 PRO 460 HG1 PRO 460 -2.406 -4.187 7.615
224 HD2 PRO 460 HD2 PRO 460 -3.143 -1.546 7.546
225 HD3 PRO 460 HD1 PRO 460 -3.935 -2.823 6.600
Start of MODEL 10
1 H1 SER 433 HT1 SER 433 10.654 -1.345 5.208
2 H2 SER 433 HT2 SER 433 10.724 0.338 5.011
3 H3 SER 433 HT3 SER 433 10.344 -0.652 3.692
4 HA SER 433 HA SER 433 8.703 -0.272 6.123
5 HB2 SER 433 HB2 SER 433 8.260 0.590 3.251
6 HB3 SER 433 HB1 SER 433 7.113 0.806 4.573
7 HG SER 433 HG SER 433 8.169 2.503 5.189
8 H GLU 434 HN GLU 434 7.408 -1.937 6.560
9 HA GLU 434 HA GLU 434 7.298 -4.245 4.895
10 HB2 GLU 434 HB2 GLU 434 7.054 -4.206 7.420
11 HB3 GLU 434 HB1 GLU 434 5.430 -3.582 7.177
12 HG2 GLU 434 HG2 GLU 434 5.249 -5.913 7.533
13 HG3 GLU 434 HG1 GLU 434 4.934 -5.620 5.825
14 H TRP 435 HN TRP 435 4.882 -1.821 5.826
15 HA TRP 435 HA TRP 435 3.422 -2.405 3.338
16 HB2 TRP 435 HB2 TRP 435 2.409 -0.811 5.701
17 HB3 TRP 435 HB1 TRP 435 1.472 -1.452 4.357
18 HD1 TRP 435 HD1 TRP 435 2.122 -2.145 7.850
19 HE1 TRP 435 HE1 TRP 435 1.560 -4.580 8.466
20 HE3 TRP 435 HE3 TRP 435 1.814 -4.128 3.147
21 HZ2 TRP 435 HZ2 TRP 435 1.049 -7.015 7.137
22 HZ3 TRP 435 HZ3 TRP 435 1.299 -6.522 2.910
23 HH2 TRP 435 HH2 TRP 435 0.911 -7.930 4.858
24 H THR 436 HN THR 436 3.434 -0.840 1.772
25 HA THR 436 HA THR 436 4.981 1.560 2.337
26 HB THR 436 HB THR 436 3.875 0.500 -0.277
27 HG1 THR 436 HG1 THR 436 5.611 -0.723 0.703
28 HG21 THR 436 HG21 THR 436 4.100 2.913 -0.411
29 HG22 THR 436 HG22 THR 436 5.403 2.155 -1.329
30 HG23 THR 436 HG23 THR 436 5.725 2.829 0.268
31 H GLU 437 HN GLU 437 3.793 3.089 3.336
32 HA GLU 437 HA GLU 437 1.093 3.671 2.402
33 HB2 GLU 437 HB2 GLU 437 2.467 5.446 4.367
34 HB3 GLU 437 HB1 GLU 437 0.795 4.916 4.320
35 HG2 GLU 437 HG2 GLU 437 1.453 3.725 6.110
36 HG3 GLU 437 HG1 GLU 437 1.948 2.577 4.864
37 H ARG 438 HN ARG 438 1.094 4.697 0.495
38 HA ARG 438 HA ARG 438 2.559 7.212 0.316
39 HB2 ARG 438 HB2 ARG 438 3.987 5.462 -0.702
40 HB3 ARG 438 HB1 ARG 438 2.674 5.038 -1.789
41 HG2 ARG 438 HG2 ARG 438 2.847 7.090 -2.948
42 HG3 ARG 438 HG1 ARG 438 3.912 7.770 -1.714
43 HD2 ARG 438 HD2 ARG 438 4.565 5.439 -3.517
44 HD3 ARG 438 HD1 ARG 438 5.165 7.089 -3.705
45 HE ARG 438 HE ARG 438 5.957 6.521 -1.212
46 HH11 ARG 438 HH11 ARG 438 6.239 4.634 -4.165
47 HH12 ARG 438 HH12 ARG 438 7.709 3.856 -3.658
48 HH21 ARG 438 HH21 ARG 438 7.865 5.476 -0.567
49 HH22 ARG 438 HH22 ARG 438 8.617 4.319 -1.628
50 H LYS 439 HN LYS 439 1.412 8.783 -1.053
51 HA LYS 439 HA LYS 439 -1.238 7.784 -1.785
52 HB2 LYS 439 HB2 LYS 439 -1.982 10.147 -1.726
53 HB3 LYS 439 HB1 LYS 439 -1.433 9.533 -0.177
54 HG2 LYS 439 HG2 LYS 439 0.665 10.712 -0.422
55 HG3 LYS 439 HG1 LYS 439 0.180 11.281 -2.020
56 HD2 LYS 439 HD2 LYS 439 -0.257 13.086 -0.570
57 HD3 LYS 439 HD1 LYS 439 -1.826 12.340 -0.863
58 HE2 LYS 439 HE2 LYS 439 -0.110 11.791 1.557
59 HE3 LYS 439 HE1 LYS 439 -1.408 12.978 1.515
60 HZ1 LYS 439 HZ1 LYS 439 -2.122 10.886 2.495
61 HZ2 LYS 439 HZ2 LYS 439 -1.735 10.059 1.076
62 HZ3 LYS 439 HZ3 LYS 439 -2.985 11.200 1.069
63 H THR 440 HN THR 440 -1.762 7.542 -3.715
64 HA THR 440 HA THR 440 -0.059 8.487 -5.865
65 HB THR 440 HB THR 440 -0.739 6.153 -5.936
66 HG1 THR 440 HG1 THR 440 -0.947 6.271 -8.029
67 HG21 THR 440 HG21 THR 440 -3.092 5.516 -6.251
68 HG22 THR 440 HG22 THR 440 -3.569 7.198 -6.016
69 HG23 THR 440 HG23 THR 440 -2.825 6.298 -4.693
70 H ALA 441 HN ALA 441 -0.870 9.655 -7.661
71 HA ALA 441 HA ALA 441 -2.428 11.880 -6.989
72 HB1 ALA 441 HB1 ALA 441 -0.729 11.884 -8.747
73 HB2 ALA 441 HB2 ALA 441 -2.277 12.494 -9.331
74 HB3 ALA 441 HB3 ALA 441 -1.760 10.858 -9.744
75 H ASP 442 HN ASP 442 -3.504 8.788 -7.648
76 HA ASP 442 HA ASP 442 -6.009 9.315 -8.868
77 HB2 ASP 442 HB2 ASP 442 -4.953 7.056 -8.643
78 HB3 ASP 442 HB1 ASP 442 -5.313 7.106 -6.921
79 H GLY 443 HN GLY 443 -4.731 10.110 -5.857
80 HA2 GLY 443 HA2 GLY 443 -5.743 11.531 -4.297
81 HA3 GLY 443 HA1 GLY 443 -7.316 11.118 -4.963
82 H LYS 444 HN LYS 444 -4.896 8.771 -3.998
83 HA LYS 444 HA LYS 444 -6.500 8.057 -1.649
84 HB2 LYS 444 HB2 LYS 444 -5.804 6.190 -3.917
85 HB3 LYS 444 HB1 LYS 444 -6.394 5.651 -2.352
86 HG2 LYS 444 HG2 LYS 444 -8.482 6.858 -2.717
87 HG3 LYS 444 HG1 LYS 444 -7.887 7.415 -4.284
88 HD2 LYS 444 HD2 LYS 444 -7.698 5.083 -5.026
89 HD3 LYS 444 HD1 LYS 444 -8.320 4.544 -3.467
90 HE2 LYS 444 HE2 LYS 444 -10.058 4.549 -5.190
91 HE3 LYS 444 HE1 LYS 444 -10.419 5.677 -3.883
92 HZ1 LYS 444 HZ1 LYS 444 -9.900 7.501 -5.216
93 HZ2 LYS 444 HZ2 LYS 444 -10.769 6.475 -6.251
94 HZ3 LYS 444 HZ3 LYS 444 -9.079 6.559 -6.369
95 H THR 445 HN THR 445 -5.340 7.236 0.018
96 HA THR 445 HA THR 445 -2.474 6.913 -0.293
97 HB THR 445 HB THR 445 -4.132 6.550 2.202
98 HG1 THR 445 HG1 THR 445 -3.948 8.667 2.547
99 HG21 THR 445 HG21 THR 445 -1.903 5.535 2.312
100 HG22 THR 445 HG22 THR 445 -2.011 6.945 3.365
101 HG23 THR 445 HG23 THR 445 -1.177 7.066 1.816
102 H TYR 446 HN TYR 446 -1.990 5.005 -1.297
103 HA TYR 446 HA TYR 446 -3.534 2.648 -0.497
104 HB2 TYR 446 HB2 TYR 446 -3.059 1.678 -2.586
105 HB3 TYR 446 HB1 TYR 446 -3.447 3.355 -2.927
106 HD1 TYR 446 HD1 TYR 446 -1.327 4.960 -3.119
107 HD2 TYR 446 HD2 TYR 446 -1.231 0.732 -3.581
108 HE1 TYR 446 HE1 TYR 446 0.745 5.151 -4.437
109 HE2 TYR 446 HE2 TYR 446 0.838 0.911 -4.889
110 HH TYR 446 HH TYR 446 2.728 3.652 -4.990
111 H TYR 447 HN TYR 447 -2.539 0.773 0.176
112 HA TYR 447 HA TYR 447 0.253 1.150 0.990
113 HB2 TYR 447 HB2 TYR 447 -1.749 -0.746 2.227
114 HB3 TYR 447 HB1 TYR 447 -0.193 -0.239 2.887
115 HD1 TYR 447 HD1 TYR 447 0.084 2.128 3.678
116 HD2 TYR 447 HD2 TYR 447 -3.706 0.552 2.560
117 HE1 TYR 447 HE1 TYR 447 -1.021 4.013 4.796
118 HE2 TYR 447 HE2 TYR 447 -4.821 2.429 3.688
119 HH TYR 447 HH TYR 447 -4.435 4.102 5.318
120 H TYR 448 HN TYR 448 1.346 0.287 -0.715
121 HA TYR 448 HA TYR 448 0.583 -2.286 -1.777
122 HB2 TYR 448 HB2 TYR 448 1.442 -0.420 -3.213
123 HB3 TYR 448 HB1 TYR 448 3.011 -0.608 -2.438
124 HD1 TYR 448 HD1 TYR 448 0.554 -2.207 -4.666
125 HD2 TYR 448 HD2 TYR 448 4.488 -2.390 -3.054
126 HE1 TYR 448 HE1 TYR 448 1.147 -3.930 -6.317
127 HE2 TYR 448 HE2 TYR 448 5.088 -4.113 -4.699
128 HH TYR 448 HH TYR 448 3.198 -4.822 -7.400
129 H ASN 449 HN ASN 449 1.409 -4.170 -1.213
130 HA ASN 449 HA ASN 449 3.565 -4.283 0.770
131 HB2 ASN 449 HB2 ASN 449 1.536 -5.325 1.506
132 HB3 ASN 449 HB1 ASN 449 1.339 -6.168 -0.025
133 HD21 ASN 449 HD21 ASN 449 1.125 -8.114 1.124
134 HD22 ASN 449 HD22 ASN 449 2.506 -8.921 1.784
135 H ASN 450 HN ASN 450 5.506 -5.108 0.215
136 HA ASN 450 HA ASN 450 5.839 -6.024 -2.530
137 HB2 ASN 450 HB2 ASN 450 7.348 -4.282 -1.498
138 HB3 ASN 450 HB1 ASN 450 7.990 -5.548 -0.460
139 HD21 ASN 450 HD21 ASN 450 9.395 -7.068 -1.315
140 HD22 ASN 450 HD22 ASN 450 10.067 -6.930 -2.901
141 H ARG 451 HN ARG 451 5.443 -7.339 0.549
142 HA ARG 451 HA ARG 451 7.092 -9.631 0.345
143 HB2 ARG 451 HB2 ARG 451 4.561 -9.243 1.940
144 HB3 ARG 451 HB1 ARG 451 5.679 -10.584 2.132
145 HG2 ARG 451 HG2 ARG 451 6.410 -7.696 2.556
146 HG3 ARG 451 HG1 ARG 451 5.906 -8.799 3.838
147 HD2 ARG 451 HD2 ARG 451 7.808 -10.286 3.214
148 HD3 ARG 451 HD1 ARG 451 8.346 -9.043 2.080
149 HE ARG 451 HE ARG 451 8.037 -7.781 4.527
150 HH11 ARG 451 HH11 ARG 451 10.043 -10.369 3.223
151 HH12 ARG 451 HH12 ARG 451 11.345 -10.080 4.342
152 HH21 ARG 451 HH21 ARG 451 9.721 -7.424 5.980
153 HH22 ARG 451 HH22 ARG 451 11.161 -8.398 5.916
154 H THR 452 HN THR 452 3.747 -8.991 -0.529
155 HA THR 452 HA THR 452 3.626 -11.637 -1.820
156 HB THR 452 HB THR 452 1.160 -10.163 -0.952
157 HG1 THR 452 HG1 THR 452 1.409 -11.498 1.045
158 HG21 THR 452 HG21 THR 452 0.940 -12.181 -2.340
159 HG22 THR 452 HG22 THR 452 0.277 -12.439 -0.725
160 HG23 THR 452 HG23 THR 452 1.858 -13.098 -1.145
161 H LEU 453 HN LEU 453 4.008 -8.479 -2.529
162 HA LEU 453 HA LEU 453 3.519 -7.054 -4.239
163 HB2 LEU 453 HB2 LEU 453 2.659 -9.594 -5.638
164 HB3 LEU 453 HB1 LEU 453 2.903 -8.043 -6.420
165 HG LEU 453 HG LEU 453 5.042 -9.687 -5.061
166 HD11 LEU 453 HD11 LEU 453 4.533 -9.110 -7.975
167 HD12 LEU 453 HD12 LEU 453 4.311 -10.660 -7.164
168 HD13 LEU 453 HD13 LEU 453 5.927 -9.972 -7.324
169 HD21 LEU 453 HD21 LEU 453 5.259 -7.091 -6.585
170 HD22 LEU 453 HD22 LEU 453 6.605 -8.034 -5.946
171 HD23 LEU 453 HD23 LEU 453 5.451 -7.283 -4.843
172 H GLU 454 HN GLU 454 1.624 -7.735 -2.207
173 HA GLU 454 HA GLU 454 -1.012 -7.823 -3.427
174 HB2 GLU 454 HB2 GLU 454 -0.770 -9.277 -1.590
175 HB3 GLU 454 HB1 GLU 454 0.096 -8.082 -0.641
176 HG2 GLU 454 HG2 GLU 454 -1.974 -6.800 -0.384
177 HG3 GLU 454 HG1 GLU 454 -2.834 -8.028 -1.310
178 H SER 455 HN SER 455 -2.422 -6.105 -3.466
179 HA SER 455 HA SER 455 -1.382 -3.574 -2.408
180 HB2 SER 455 HB2 SER 455 -3.611 -4.017 -4.404
181 HB3 SER 455 HB1 SER 455 -2.888 -2.471 -3.958
182 HG SER 455 HG SER 455 -1.098 -4.388 -4.799
183 H THR 456 HN THR 456 -2.099 -3.130 -0.428
184 HA THR 456 HA THR 456 -4.810 -3.953 0.345
185 HB THR 456 HB THR 456 -2.630 -2.924 2.172
186 HG1 THR 456 HG1 THR 456 -3.068 -5.640 2.159
187 HG21 THR 456 HG21 THR 456 -4.884 -2.939 3.114
188 HG22 THR 456 HG22 THR 456 -3.883 -4.173 3.877
189 HG23 THR 456 HG23 THR 456 -5.073 -4.632 2.660
190 H TRP 457 HN TRP 457 -6.358 -2.424 0.451
191 HA TRP 457 HA TRP 457 -5.468 0.383 0.395
192 HB2 TRP 457 HB2 TRP 457 -7.855 -0.924 -0.925
193 HB3 TRP 457 HB1 TRP 457 -7.607 0.825 -0.860
194 HD1 TRP 457 HD1 TRP 457 -5.627 -2.294 -2.057
195 HE1 TRP 457 HE1 TRP 457 -4.242 -1.626 -4.117
196 HE3 TRP 457 HE3 TRP 457 -6.921 2.646 -2.351
197 HZ2 TRP 457 HZ2 TRP 457 -3.728 0.661 -5.630
198 HZ3 TRP 457 HZ3 TRP 457 -5.952 3.996 -4.168
199 HH2 TRP 457 HH2 TRP 457 -4.399 3.028 -5.779
200 H GLU 458 HN GLU 458 -6.805 -1.802 2.381
201 HA GLU 458 HA GLU 458 -8.130 0.295 3.958
202 HB2 GLU 458 HB2 GLU 458 -9.262 -1.616 5.152
203 HB3 GLU 458 HB1 GLU 458 -9.764 -1.389 3.484
204 HG2 GLU 458 HG2 GLU 458 -7.629 -3.365 4.186
205 HG3 GLU 458 HG1 GLU 458 -9.335 -3.773 4.356
206 H LYS 459 HN LYS 459 -7.236 0.757 5.910
207 HA LYS 459 HA LYS 459 -4.699 -0.381 6.539
208 HB2 LYS 459 HB2 LYS 459 -6.449 1.667 7.825
209 HB3 LYS 459 HB1 LYS 459 -5.097 0.996 8.729
210 HG2 LYS 459 HG2 LYS 459 -3.596 1.659 6.876
211 HG3 LYS 459 HG1 LYS 459 -4.971 2.442 6.098
212 HD2 LYS 459 HD2 LYS 459 -3.549 4.015 7.361
213 HD3 LYS 459 HD1 LYS 459 -5.212 3.967 7.951
214 HE2 LYS 459 HE2 LYS 459 -3.584 4.030 9.787
215 HE3 LYS 459 HE1 LYS 459 -4.538 2.549 9.805
216 HZ1 LYS 459 HZ1 LYS 459 -1.850 2.689 8.560
217 HZ2 LYS 459 HZ2 LYS 459 -2.737 1.306 8.997
218 HZ3 LYS 459 HZ3 LYS 459 -2.080 2.308 10.194
219 HA PRO 460 HA PRO 460 -6.089 -3.909 9.035
220 HB2 PRO 460 HB2 PRO 460 -3.229 -3.571 9.816
221 HB3 PRO 460 HB1 PRO 460 -4.109 -5.041 9.382
222 HG2 PRO 460 HG2 PRO 460 -2.415 -3.895 7.668
223 HG3 PRO 460 HG1 PRO 460 -3.925 -4.641 7.113
224 HD2 PRO 460 HD2 PRO 460 -3.222 -1.763 7.386
225 HD3 PRO 460 HD1 PRO 460 -4.298 -2.567 6.224
Start of MODEL 11
1 H1 SER 433 HT1 SER 433 7.101 2.105 5.531
2 H2 SER 433 HT2 SER 433 6.007 0.829 5.357
3 H3 SER 433 HT3 SER 433 6.929 1.337 4.032
4 HA SER 433 HA SER 433 8.946 0.632 5.105
5 HB2 SER 433 HB2 SER 433 8.641 -0.773 7.222
6 HB3 SER 433 HB1 SER 433 8.469 0.974 7.396
7 HG SER 433 HG SER 433 6.739 0.143 8.428
8 H GLU 434 HN GLU 434 6.981 -1.893 6.424
9 HA GLU 434 HA GLU 434 7.676 -3.750 4.383
10 HB2 GLU 434 HB2 GLU 434 5.577 -3.871 6.560
11 HB3 GLU 434 HB1 GLU 434 5.926 -5.209 5.478
12 HG2 GLU 434 HG2 GLU 434 7.027 -5.571 7.564
13 HG3 GLU 434 HG1 GLU 434 8.236 -5.249 6.326
14 H TRP 435 HN TRP 435 4.837 -1.887 5.167
15 HA TRP 435 HA TRP 435 3.536 -2.580 2.652
16 HB2 TRP 435 HB2 TRP 435 2.579 -0.573 4.708
17 HB3 TRP 435 HB1 TRP 435 1.621 -1.458 3.528
18 HD1 TRP 435 HD1 TRP 435 2.496 -1.501 7.097
19 HE1 TRP 435 HE1 TRP 435 1.829 -3.740 8.196
20 HE3 TRP 435 HE3 TRP 435 1.623 -4.232 2.882
21 HZ2 TRP 435 HZ2 TRP 435 1.034 -6.326 7.364
22 HZ3 TRP 435 HZ3 TRP 435 0.934 -6.579 3.110
23 HH2 TRP 435 HH2 TRP 435 0.628 -7.602 5.293
24 H THR 436 HN THR 436 3.293 -1.045 0.985
25 HA THR 436 HA THR 436 5.085 1.244 1.141
26 HB THR 436 HB THR 436 3.383 0.259 -1.162
27 HG1 THR 436 HG1 THR 436 5.044 -1.190 -0.724
28 HG21 THR 436 HG21 THR 436 5.542 2.370 -1.087
29 HG22 THR 436 HG22 THR 436 3.821 2.640 -1.371
30 HG23 THR 436 HG23 THR 436 4.779 1.745 -2.550
31 H GLU 437 HN GLU 437 4.154 2.792 2.393
32 HA GLU 437 HA GLU 437 1.362 3.470 1.952
33 HB2 GLU 437 HB2 GLU 437 3.262 4.943 3.781
34 HB3 GLU 437 HB1 GLU 437 1.510 4.870 3.870
35 HG2 GLU 437 HG2 GLU 437 2.030 3.469 5.573
36 HG3 GLU 437 HG1 GLU 437 1.985 2.303 4.253
37 H ARG 438 HN ARG 438 1.349 4.333 -0.104
38 HA ARG 438 HA ARG 438 3.028 6.714 -0.474
39 HB2 ARG 438 HB2 ARG 438 3.717 5.041 -2.033
40 HB3 ARG 438 HB1 ARG 438 2.054 4.689 -2.490
41 HG2 ARG 438 HG2 ARG 438 1.853 6.863 -3.542
42 HG3 ARG 438 HG1 ARG 438 3.482 7.290 -3.018
43 HD2 ARG 438 HD2 ARG 438 2.834 4.970 -4.827
44 HD3 ARG 438 HD1 ARG 438 3.313 6.566 -5.399
45 HE ARG 438 HE ARG 438 5.273 5.801 -3.620
46 HH11 ARG 438 HH11 ARG 438 3.929 4.501 -6.583
47 HH12 ARG 438 HH12 ARG 438 5.433 3.805 -7.109
48 HH21 ARG 438 HH21 ARG 438 7.244 4.897 -4.312
49 HH22 ARG 438 HH22 ARG 438 7.319 4.041 -5.820
50 H LYS 439 HN LYS 439 1.831 8.703 -0.859
51 HA LYS 439 HA LYS 439 -1.051 8.399 -1.063
52 HB2 LYS 439 HB2 LYS 439 0.113 10.051 0.504
53 HB3 LYS 439 HB1 LYS 439 0.496 10.983 -0.940
54 HG2 LYS 439 HG2 LYS 439 -1.866 11.223 -1.433
55 HG3 LYS 439 HG1 LYS 439 -2.271 10.246 -0.020
56 HD2 LYS 439 HD2 LYS 439 -0.964 11.974 1.332
57 HD3 LYS 439 HD1 LYS 439 -1.043 12.987 -0.114
58 HE2 LYS 439 HE2 LYS 439 -2.858 13.543 1.380
59 HE3 LYS 439 HE1 LYS 439 -3.494 12.793 -0.085
60 HZ1 LYS 439 HZ1 LYS 439 -3.101 11.464 2.543
61 HZ2 LYS 439 HZ2 LYS 439 -3.633 10.689 1.137
62 HZ3 LYS 439 HZ3 LYS 439 -4.586 11.894 1.846
63 H THR 440 HN THR 440 -1.911 8.220 -2.994
64 HA THR 440 HA THR 440 -0.376 9.004 -5.331
65 HB THR 440 HB THR 440 -3.081 7.675 -5.333
66 HG1 THR 440 HG1 THR 440 -0.899 6.790 -4.123
67 HG21 THR 440 HG21 THR 440 -0.697 7.609 -7.187
68 HG22 THR 440 HG22 THR 440 -2.298 8.275 -7.524
69 HG23 THR 440 HG23 THR 440 -2.087 6.531 -7.327
70 H ALA 441 HN ALA 441 -0.999 10.498 -6.848
71 HA ALA 441 HA ALA 441 -2.558 12.693 -5.910
72 HB1 ALA 441 HB1 ALA 441 -0.583 12.998 -7.318
73 HB2 ALA 441 HB2 ALA 441 -2.010 13.736 -8.043
74 HB3 ALA 441 HB3 ALA 441 -1.410 12.195 -8.654
75 H ASP 442 HN ASP 442 -3.578 9.831 -7.068
76 HA ASP 442 HA ASP 442 -5.849 10.779 -8.589
77 HB2 ASP 442 HB2 ASP 442 -4.756 8.557 -9.007
78 HB3 ASP 442 HB1 ASP 442 -5.344 8.023 -7.435
79 H GLY 443 HN GLY 443 -5.034 11.092 -5.517
80 HA2 GLY 443 HA2 GLY 443 -6.362 12.073 -3.880
81 HA3 GLY 443 HA1 GLY 443 -7.794 11.533 -4.743
82 H LYS 444 HN LYS 444 -5.323 9.210 -4.095
83 HA LYS 444 HA LYS 444 -6.707 8.206 -1.736
84 HB2 LYS 444 HB2 LYS 444 -6.529 6.688 -4.342
85 HB3 LYS 444 HB1 LYS 444 -6.856 5.909 -2.800
86 HG2 LYS 444 HG2 LYS 444 -8.882 7.227 -2.539
87 HG3 LYS 444 HG1 LYS 444 -8.547 8.064 -4.056
88 HD2 LYS 444 HD2 LYS 444 -8.981 5.090 -3.792
89 HD3 LYS 444 HD1 LYS 444 -10.223 6.243 -4.271
90 HE2 LYS 444 HE2 LYS 444 -7.627 5.791 -5.735
91 HE3 LYS 444 HE1 LYS 444 -9.178 5.087 -6.187
92 HZ1 LYS 444 HZ1 LYS 444 -8.602 7.993 -6.050
93 HZ2 LYS 444 HZ2 LYS 444 -10.064 7.288 -6.529
94 HZ3 LYS 444 HZ3 LYS 444 -8.667 7.073 -7.472
95 H THR 445 HN THR 445 -5.358 7.271 -0.349
96 HA THR 445 HA THR 445 -2.569 6.890 -1.105
97 HB THR 445 HB THR 445 -3.850 6.554 1.615
98 HG1 THR 445 HG1 THR 445 -3.582 8.684 1.928
99 HG21 THR 445 HG21 THR 445 -1.641 5.536 1.415
100 HG22 THR 445 HG22 THR 445 -1.569 6.967 2.444
101 HG23 THR 445 HG23 THR 445 -0.988 7.045 0.782
102 H TYR 446 HN TYR 446 -1.827 4.892 -1.697
103 HA TYR 446 HA TYR 446 -3.500 2.596 -0.932
104 HB2 TYR 446 HB2 TYR 446 -2.827 1.455 -2.897
105 HB3 TYR 446 HB1 TYR 446 -3.260 3.080 -3.392
106 HD1 TYR 446 HD2 TYR 446 -0.417 0.792 -2.791
107 HD2 TYR 446 HD1 TYR 446 -1.687 4.475 -4.512
108 HE1 TYR 446 HE2 TYR 446 1.721 0.965 -3.985
109 HE2 TYR 446 HE1 TYR 446 0.447 4.647 -5.713
110 HH TYR 446 HH TYR 446 2.605 2.071 -6.015
111 H TYR 447 HN TYR 447 -2.524 0.675 -0.247
112 HA TYR 447 HA TYR 447 0.250 1.010 0.673
113 HB2 TYR 447 HB2 TYR 447 -1.740 -0.813 2.017
114 HB3 TYR 447 HB1 TYR 447 -0.234 -0.168 2.661
115 HD1 TYR 447 HD1 TYR 447 -0.133 2.335 3.178
116 HD2 TYR 447 HD2 TYR 447 -3.778 0.299 2.376
117 HE1 TYR 447 HE1 TYR 447 -1.380 4.189 4.190
118 HE2 TYR 447 HE2 TYR 447 -5.036 2.136 3.408
119 HH TYR 447 HH TYR 447 -4.742 3.976 4.913
120 H TYR 448 HN TYR 448 1.194 0.068 -1.090
121 HA TYR 448 HA TYR 448 0.402 -2.582 -1.940
122 HB2 TYR 448 HB2 TYR 448 0.978 -1.222 -3.740
123 HB3 TYR 448 HB1 TYR 448 2.354 -0.526 -2.902
124 HD1 TYR 448 HD2 TYR 448 1.397 -4.068 -3.709
125 HD2 TYR 448 HD1 TYR 448 4.273 -0.949 -4.071
126 HE1 TYR 448 HE2 TYR 448 2.922 -5.605 -4.882
127 HE2 TYR 448 HE1 TYR 448 5.793 -2.481 -5.249
128 HH TYR 448 HH TYR 448 4.769 -5.572 -6.381
129 H ASN 449 HN ASN 449 1.167 -4.375 -1.071
130 HA ASN 449 HA ASN 449 3.514 -4.276 0.660
131 HB2 ASN 449 HB2 ASN 449 1.470 -5.290 1.553
132 HB3 ASN 449 HB1 ASN 449 1.442 -6.439 0.217
133 HD21 ASN 449 HD21 ASN 449 1.547 -8.204 1.591
134 HD22 ASN 449 HD22 ASN 449 2.987 -8.618 2.455
135 H ASN 450 HN ASN 450 5.403 -5.145 0.113
136 HA ASN 450 HA ASN 450 5.556 -6.694 -2.370
137 HB2 ASN 450 HB2 ASN 450 6.978 -4.655 -2.107
138 HB3 ASN 450 HB1 ASN 450 7.814 -5.451 -0.780
139 HD21 ASN 450 HD21 ASN 450 9.347 -7.006 -1.234
140 HD22 ASN 450 HD22 ASN 450 9.891 -7.346 -2.836
141 H ARG 451 HN ARG 451 5.281 -7.223 0.883
142 HA ARG 451 HA ARG 451 7.165 -9.324 1.247
143 HB2 ARG 451 HB2 ARG 451 4.670 -8.639 2.782
144 HB3 ARG 451 HB1 ARG 451 5.790 -9.908 3.254
145 HG2 ARG 451 HG2 ARG 451 6.418 -6.971 3.027
146 HG3 ARG 451 HG1 ARG 451 6.187 -7.879 4.522
147 HD2 ARG 451 HD2 ARG 451 8.128 -9.287 3.921
148 HD3 ARG 451 HD1 ARG 451 8.372 -8.301 2.481
149 HE ARG 451 HE ARG 451 8.623 -7.297 5.250
150 HH11 ARG 451 HH11 ARG 451 9.584 -7.293 1.877
151 HH12 ARG 451 HH12 ARG 451 10.797 -6.063 2.084
152 HH21 ARG 451 HH21 ARG 451 10.233 -5.695 5.536
153 HH22 ARG 451 HH22 ARG 451 11.162 -5.155 4.167
154 H THR 452 HN THR 452 3.722 -9.266 0.467
155 HA THR 452 HA THR 452 3.968 -12.069 -0.403
156 HB THR 452 HB THR 452 1.465 -12.186 -0.052
157 HG1 THR 452 HG1 THR 452 0.458 -10.565 0.992
158 HG21 THR 452 HG21 THR 452 3.027 -13.206 1.526
159 HG22 THR 452 HG22 THR 452 1.631 -12.534 2.370
160 HG23 THR 452 HG23 THR 452 3.172 -11.673 2.387
161 H LEU 453 HN LEU 453 3.963 -9.080 -1.543
162 HA LEU 453 HA LEU 453 3.243 -7.914 -3.335
163 HB2 LEU 453 HB2 LEU 453 2.837 -10.668 -4.509
164 HB3 LEU 453 HB1 LEU 453 2.786 -9.172 -5.421
165 HG LEU 453 HG LEU 453 5.196 -10.271 -3.970
166 HD11 LEU 453 HD11 LEU 453 4.590 -10.046 -6.918
167 HD12 LEU 453 HD12 LEU 453 4.630 -11.537 -5.975
168 HD13 LEU 453 HD13 LEU 453 6.107 -10.604 -6.209
169 HD21 LEU 453 HD21 LEU 453 6.417 -8.439 -5.055
170 HD22 LEU 453 HD22 LEU 453 5.176 -7.835 -3.954
171 HD23 LEU 453 HD23 LEU 453 4.898 -7.809 -5.694
172 H GLU 454 HN GLU 454 1.537 -7.249 -1.941
173 HA GLU 454 HA GLU 454 -1.106 -8.247 -2.731
174 HB2 GLU 454 HB2 GLU 454 -0.377 -9.294 -0.587
175 HB3 GLU 454 HB1 GLU 454 -0.231 -7.691 0.112
176 HG2 GLU 454 HG2 GLU 454 -2.613 -7.330 -0.144
177 HG3 GLU 454 HG1 GLU 454 -2.779 -8.891 -0.938
178 H SER 455 HN SER 455 -2.304 -6.527 -3.442
179 HA SER 455 HA SER 455 -1.462 -3.855 -2.674
180 HB2 SER 455 HB2 SER 455 -2.034 -4.487 -5.063
181 HB3 SER 455 HB1 SER 455 -3.715 -4.609 -4.551
182 HG SER 455 HG SER 455 -2.341 -2.438 -5.249
183 H THR 456 HN THR 456 -2.132 -3.333 -0.693
184 HA THR 456 HA THR 456 -4.856 -4.064 0.131
185 HB THR 456 HB THR 456 -2.681 -3.105 1.979
186 HG1 THR 456 HG1 THR 456 -2.467 -5.233 0.473
187 HG21 THR 456 HG21 THR 456 -4.932 -3.254 2.902
188 HG22 THR 456 HG22 THR 456 -3.908 -4.506 3.599
189 HG23 THR 456 HG23 THR 456 -5.074 -4.922 2.341
190 H TRP 457 HN TRP 457 -6.305 -2.455 0.038
191 HA TRP 457 HA TRP 457 -5.310 0.301 0.194
192 HB2 TRP 457 HB2 TRP 457 -7.814 -0.832 -1.070
193 HB3 TRP 457 HB1 TRP 457 -7.465 0.895 -0.943
194 HD1 TRP 457 HD1 TRP 457 -5.682 -2.259 -2.344
195 HE1 TRP 457 HE1 TRP 457 -4.384 -1.578 -4.453
196 HE3 TRP 457 HE3 TRP 457 -6.809 2.728 -2.407
197 HZ2 TRP 457 HZ2 TRP 457 -3.900 0.753 -5.942
198 HZ3 TRP 457 HZ3 TRP 457 -5.905 4.112 -4.235
199 HH2 TRP 457 HH2 TRP 457 -4.486 3.140 -5.970
200 H GLU 458 HN GLU 458 -6.695 -1.978 2.029
201 HA GLU 458 HA GLU 458 -8.024 -0.047 3.795
202 HB2 GLU 458 HB2 GLU 458 -8.909 -2.040 4.951
203 HB3 GLU 458 HB1 GLU 458 -9.336 -2.050 3.245
204 HG2 GLU 458 HG2 GLU 458 -7.400 -3.578 2.852
205 HG3 GLU 458 HG1 GLU 458 -7.198 -3.670 4.600
206 H LYS 459 HN LYS 459 -7.298 0.053 6.020
207 HA LYS 459 HA LYS 459 -4.477 -0.636 6.252
208 HB2 LYS 459 HB2 LYS 459 -6.261 1.183 7.851
209 HB3 LYS 459 HB1 LYS 459 -4.650 0.738 8.403
210 HG2 LYS 459 HG2 LYS 459 -3.764 1.608 6.231
211 HG3 LYS 459 HG1 LYS 459 -5.382 2.226 5.896
212 HD2 LYS 459 HD2 LYS 459 -3.922 3.953 6.829
213 HD3 LYS 459 HD1 LYS 459 -5.287 3.611 7.894
214 HE2 LYS 459 HE2 LYS 459 -3.840 2.197 9.276
215 HE3 LYS 459 HE1 LYS 459 -2.484 2.541 8.204
216 HZ1 LYS 459 HZ1 LYS 459 -2.426 3.919 10.188
217 HZ2 LYS 459 HZ2 LYS 459 -3.953 4.557 9.817
218 HZ3 LYS 459 HZ3 LYS 459 -2.638 4.873 8.804
219 HA PRO 460 HA PRO 460 -5.574 -4.148 8.819
220 HB2 PRO 460 HB2 PRO 460 -3.003 -4.951 9.244
221 HB3 PRO 460 HB1 PRO 460 -3.912 -5.339 7.781
222 HG2 PRO 460 HG2 PRO 460 -1.841 -3.244 8.230
223 HG3 PRO 460 HG1 PRO 460 -2.122 -4.260 6.804
224 HD2 PRO 460 HD2 PRO 460 -2.908 -1.649 6.983
225 HD3 PRO 460 HD1 PRO 460 -3.731 -2.854 5.975
Start of MODEL 12
1 H1 SER 433 HT1 SER 433 7.267 -2.194 8.171
2 H2 SER 433 HT2 SER 433 8.466 -1.489 9.136
3 H3 SER 433 HT3 SER 433 8.829 -2.852 8.202
4 HA SER 433 HA SER 433 8.125 -0.164 7.178
5 HB2 SER 433 HB2 SER 433 10.507 -0.304 6.302
6 HB3 SER 433 HB1 SER 433 10.348 -0.130 8.050
7 HG SER 433 HG SER 433 11.869 -1.747 7.443
8 H GLU 434 HN GLU 434 7.076 -2.988 6.646
9 HA GLU 434 HA GLU 434 8.018 -3.488 3.937
10 HB2 GLU 434 HB2 GLU 434 6.646 -5.541 4.098
11 HB3 GLU 434 HB1 GLU 434 7.841 -5.417 5.377
12 HG2 GLU 434 HG2 GLU 434 4.979 -4.598 5.766
13 HG3 GLU 434 HG1 GLU 434 5.537 -6.250 6.021
14 H TRP 435 HN TRP 435 5.534 -1.814 5.476
15 HA TRP 435 HA TRP 435 3.623 -2.137 3.312
16 HB2 TRP 435 HB2 TRP 435 3.470 -0.388 5.777
17 HB3 TRP 435 HB1 TRP 435 2.154 -0.728 4.662
18 HD1 TRP 435 HD1 TRP 435 3.119 -1.661 7.950
19 HE1 TRP 435 HE1 TRP 435 2.247 -3.984 8.628
20 HE3 TRP 435 HE3 TRP 435 1.956 -3.473 3.318
21 HZ2 TRP 435 HZ2 TRP 435 1.207 -6.289 7.365
22 HZ3 TRP 435 HZ3 TRP 435 1.052 -5.751 3.139
23 HH2 TRP 435 HH2 TRP 435 0.671 -7.124 5.108
24 H THR 436 HN THR 436 3.369 -0.680 1.667
25 HA THR 436 HA THR 436 4.988 1.769 1.771
26 HB THR 436 HB THR 436 3.739 0.361 -0.596
27 HG1 THR 436 HG1 THR 436 5.500 -0.808 -0.119
28 HG21 THR 436 HG21 THR 436 5.512 2.809 -0.501
29 HG22 THR 436 HG22 THR 436 3.815 2.766 -0.986
30 HG23 THR 436 HG23 THR 436 5.036 1.955 -1.968
31 H GLU 437 HN GLU 437 3.752 3.401 2.622
32 HA GLU 437 HA GLU 437 1.006 3.712 1.699
33 HB2 GLU 437 HB2 GLU 437 2.648 5.448 3.559
34 HB3 GLU 437 HB1 GLU 437 0.966 5.733 3.147
35 HG2 GLU 437 HG2 GLU 437 0.938 4.724 5.253
36 HG3 GLU 437 HG1 GLU 437 0.484 3.450 4.123
37 H ARG 438 HN ARG 438 1.130 4.201 -0.443
38 HA ARG 438 HA ARG 438 2.915 6.371 -1.232
39 HB2 ARG 438 HB2 ARG 438 3.042 4.313 -2.543
40 HB3 ARG 438 HB1 ARG 438 1.325 4.418 -2.905
41 HG2 ARG 438 HG2 ARG 438 1.701 6.473 -4.155
42 HG3 ARG 438 HG1 ARG 438 3.422 6.397 -3.770
43 HD2 ARG 438 HD2 ARG 438 3.612 4.291 -4.980
44 HD3 ARG 438 HD1 ARG 438 1.885 4.324 -5.336
45 HE ARG 438 HE ARG 438 3.078 6.701 -6.265
46 HH11 ARG 438 HH11 ARG 438 2.912 3.279 -7.033
47 HH12 ARG 438 HH12 ARG 438 3.265 3.520 -8.719
48 HH21 ARG 438 HH21 ARG 438 3.538 7.018 -8.440
49 HH22 ARG 438 HH22 ARG 438 3.610 5.663 -9.529
50 H LYS 439 HN LYS 439 1.975 8.483 -1.706
51 HA LYS 439 HA LYS 439 -0.923 8.601 -1.574
52 HB2 LYS 439 HB2 LYS 439 1.150 10.803 -1.710
53 HB3 LYS 439 HB1 LYS 439 -0.583 11.069 -1.602
54 HG2 LYS 439 HG2 LYS 439 -0.527 9.771 0.559
55 HG3 LYS 439 HG1 LYS 439 1.233 9.863 0.463
56 HD2 LYS 439 HD2 LYS 439 1.093 12.308 0.394
57 HD3 LYS 439 HD1 LYS 439 -0.663 12.210 0.507
58 HE2 LYS 439 HE2 LYS 439 0.174 12.695 2.685
59 HE3 LYS 439 HE1 LYS 439 -0.371 11.018 2.689
60 HZ1 LYS 439 HZ1 LYS 439 1.894 10.282 2.479
61 HZ2 LYS 439 HZ2 LYS 439 1.785 11.343 3.800
62 HZ3 LYS 439 HZ3 LYS 439 2.447 11.878 2.333
63 H THR 440 HN THR 440 -1.895 8.131 -3.370
64 HA THR 440 HA THR 440 -0.678 8.680 -5.949
65 HB THR 440 HB THR 440 -3.402 7.482 -5.545
66 HG1 THR 440 HG1 THR 440 -1.176 6.643 -4.350
67 HG21 THR 440 HG21 THR 440 -1.148 7.107 -7.505
68 HG22 THR 440 HG22 THR 440 -2.804 7.625 -7.829
69 HG23 THR 440 HG23 THR 440 -2.474 5.954 -7.354
70 H ALA 441 HN ALA 441 -1.593 9.989 -7.550
71 HA ALA 441 HA ALA 441 -2.703 12.404 -6.566
72 HB1 ALA 441 HB1 ALA 441 -1.146 12.319 -8.447
73 HB2 ALA 441 HB2 ALA 441 -2.635 13.165 -8.867
74 HB3 ALA 441 HB3 ALA 441 -2.372 11.512 -9.422
75 H ASP 442 HN ASP 442 -4.250 9.565 -7.164
76 HA ASP 442 HA ASP 442 -6.703 10.625 -8.246
77 HB2 ASP 442 HB2 ASP 442 -5.950 8.257 -8.585
78 HB3 ASP 442 HB1 ASP 442 -6.222 7.970 -6.869
79 H GLY 443 HN GLY 443 -5.183 10.915 -5.354
80 HA2 GLY 443 HA2 GLY 443 -6.008 12.016 -3.456
81 HA3 GLY 443 HA1 GLY 443 -7.647 11.651 -3.979
82 H LYS 444 HN LYS 444 -5.330 9.118 -4.014
83 HA LYS 444 HA LYS 444 -6.496 8.003 -1.553
84 HB2 LYS 444 HB2 LYS 444 -6.044 6.591 -4.187
85 HB3 LYS 444 HB1 LYS 444 -6.420 5.763 -2.684
86 HG2 LYS 444 HG2 LYS 444 -8.565 6.929 -2.576
87 HG3 LYS 444 HG1 LYS 444 -8.183 7.764 -4.085
88 HD2 LYS 444 HD2 LYS 444 -8.101 5.634 -5.261
89 HD3 LYS 444 HD1 LYS 444 -8.416 4.771 -3.755
90 HE2 LYS 444 HE2 LYS 444 -10.445 4.972 -5.100
91 HE3 LYS 444 HE1 LYS 444 -10.595 5.852 -3.579
92 HZ1 LYS 444 HZ1 LYS 444 -10.295 7.905 -4.675
93 HZ2 LYS 444 HZ2 LYS 444 -11.415 7.043 -5.610
94 HZ3 LYS 444 HZ3 LYS 444 -9.798 7.165 -6.118
95 H THR 445 HN THR 445 -5.019 7.356 -0.131
96 HA THR 445 HA THR 445 -2.254 6.971 -0.982
97 HB THR 445 HB THR 445 -3.391 6.824 1.823
98 HG1 THR 445 HG1 THR 445 -3.174 8.948 0.253
99 HG21 THR 445 HG21 THR 445 -1.197 5.767 1.542
100 HG22 THR 445 HG22 THR 445 -1.077 7.237 2.509
101 HG23 THR 445 HG23 THR 445 -0.574 7.251 0.819
102 H TYR 446 HN TYR 446 -2.053 4.970 -1.934
103 HA TYR 446 HA TYR 446 -3.549 2.767 -0.723
104 HB2 TYR 446 HB2 TYR 446 -3.562 1.666 -2.759
105 HB3 TYR 446 HB1 TYR 446 -3.723 3.342 -3.224
106 HD1 TYR 446 HD1 TYR 446 -1.739 4.531 -4.230
107 HD2 TYR 446 HD2 TYR 446 -1.765 0.338 -3.497
108 HE1 TYR 446 HE1 TYR 446 0.122 4.245 -5.799
109 HE2 TYR 446 HE2 TYR 446 0.088 0.049 -5.081
110 HH TYR 446 HH TYR 446 1.074 1.227 -7.005
111 H TYR 447 HN TYR 447 -2.597 0.796 -0.265
112 HA TYR 447 HA TYR 447 0.193 1.154 0.530
113 HB2 TYR 447 HB2 TYR 447 -1.703 -0.862 1.719
114 HB3 TYR 447 HB1 TYR 447 -0.251 -0.157 2.432
115 HD1 TYR 447 HD1 TYR 447 -0.314 2.367 2.972
116 HD2 TYR 447 HD2 TYR 447 -3.798 0.067 2.169
117 HE1 TYR 447 HE1 TYR 447 -1.693 4.107 4.016
118 HE2 TYR 447 HE2 TYR 447 -5.188 1.802 3.219
119 HH TYR 447 HH TYR 447 -4.101 4.887 3.843
120 H TYR 448 HN TYR 448 1.347 0.314 -1.141
121 HA TYR 448 HA TYR 448 0.736 -2.300 -2.216
122 HB2 TYR 448 HB2 TYR 448 1.667 -0.506 -3.637
123 HB3 TYR 448 HB1 TYR 448 3.113 -0.474 -2.651
124 HD1 TYR 448 HD1 TYR 448 1.206 -2.449 -5.115
125 HD2 TYR 448 HD2 TYR 448 4.855 -2.081 -2.958
126 HE1 TYR 448 HE1 TYR 448 2.242 -4.125 -6.590
127 HE2 TYR 448 HE2 TYR 448 5.898 -3.755 -4.423
128 HH TYR 448 HH TYR 448 4.601 -4.703 -7.341
129 H ASN 449 HN ASN 449 1.409 -4.131 -1.339
130 HA ASN 449 HA ASN 449 3.558 -4.082 0.670
131 HB2 ASN 449 HB2 ASN 449 1.436 -4.904 1.508
132 HB3 ASN 449 HB1 ASN 449 1.314 -6.050 0.177
133 HD21 ASN 449 HD21 ASN 449 1.189 -7.816 1.529
134 HD22 ASN 449 HD22 ASN 449 2.529 -8.386 2.461
135 H ASN 450 HN ASN 450 5.416 -5.083 0.290
136 HA ASN 450 HA ASN 450 5.705 -6.561 -2.209
137 HB2 ASN 450 HB2 ASN 450 7.660 -5.259 -0.336
138 HB3 ASN 450 HB1 ASN 450 8.204 -6.457 -1.507
139 HD21 ASN 450 HD21 ASN 450 8.153 -5.980 -3.686
140 HD22 ASN 450 HD22 ASN 450 7.946 -4.361 -4.269
141 H ARG 451 HN ARG 451 5.157 -7.198 1.027
142 HA ARG 451 HA ARG 451 6.831 -9.433 1.435
143 HB2 ARG 451 HB2 ARG 451 4.188 -8.764 2.718
144 HB3 ARG 451 HB1 ARG 451 5.264 -10.044 3.261
145 HG2 ARG 451 HG2 ARG 451 5.920 -7.107 3.186
146 HG3 ARG 451 HG1 ARG 451 5.494 -8.039 4.623
147 HD2 ARG 451 HD2 ARG 451 7.856 -8.636 2.852
148 HD3 ARG 451 HD1 ARG 451 7.944 -7.661 4.316
149 HE ARG 451 HE ARG 451 6.761 -10.116 4.973
150 HH11 ARG 451 HH11 ARG 451 9.848 -8.938 3.788
151 HH12 ARG 451 HH12 ARG 451 10.776 -10.128 4.662
152 HH21 ARG 451 HH21 ARG 451 7.993 -11.686 6.108
153 HH22 ARG 451 HH22 ARG 451 9.729 -11.641 6.002
154 H THR 452 HN THR 452 3.481 -9.180 0.357
155 HA THR 452 HA THR 452 3.660 -11.961 -0.587
156 HB THR 452 HB THR 452 1.148 -11.991 -0.379
157 HG1 THR 452 HG1 THR 452 0.122 -10.352 0.550
158 HG21 THR 452 HG21 THR 452 2.716 -11.580 2.168
159 HG22 THR 452 HG22 THR 452 2.595 -13.086 1.258
160 HG23 THR 452 HG23 THR 452 1.163 -12.405 2.032
161 H LEU 453 HN LEU 453 3.784 -8.907 -1.639
162 HA LEU 453 HA LEU 453 3.448 -7.826 -3.607
163 HB2 LEU 453 HB2 LEU 453 2.561 -10.540 -4.598
164 HB3 LEU 453 HB1 LEU 453 2.774 -9.130 -5.618
165 HG LEU 453 HG LEU 453 4.959 -10.496 -4.044
166 HD11 LEU 453 HD11 LEU 453 4.372 -10.467 -7.001
167 HD12 LEU 453 HD12 LEU 453 4.183 -11.845 -5.916
168 HD13 LEU 453 HD13 LEU 453 5.788 -11.188 -6.238
169 HD21 LEU 453 HD21 LEU 453 5.336 -8.091 -4.282
170 HD22 LEU 453 HD22 LEU 453 5.093 -8.222 -6.024
171 HD23 LEU 453 HD23 LEU 453 6.472 -9.016 -5.263
172 H GLU 454 HN GLU 454 1.516 -7.936 -1.554
173 HA GLU 454 HA GLU 454 -1.097 -8.187 -2.808
174 HB2 GLU 454 HB2 GLU 454 -0.649 -9.087 -0.524
175 HB3 GLU 454 HB1 GLU 454 -0.356 -7.444 0.032
176 HG2 GLU 454 HG2 GLU 454 -2.695 -6.892 -0.687
177 HG3 GLU 454 HG1 GLU 454 -2.933 -8.613 -0.961
178 H SER 455 HN SER 455 -2.337 -6.448 -3.409
179 HA SER 455 HA SER 455 -1.344 -3.783 -2.734
180 HB2 SER 455 HB2 SER 455 -1.946 -4.424 -5.140
181 HB3 SER 455 HB1 SER 455 -3.627 -4.431 -4.611
182 HG SER 455 HG SER 455 -1.812 -2.267 -4.717
183 H THR 456 HN THR 456 -2.058 -3.166 -0.801
184 HA THR 456 HA THR 456 -4.712 -4.024 0.116
185 HB THR 456 HB THR 456 -2.596 -2.746 1.835
186 HG1 THR 456 HG1 THR 456 -2.810 -5.563 1.523
187 HG21 THR 456 HG21 THR 456 -4.812 -3.026 2.810
188 HG22 THR 456 HG22 THR 456 -3.657 -4.109 3.589
189 HG23 THR 456 HG23 THR 456 -4.795 -4.740 2.397
190 H TRP 457 HN TRP 457 -6.313 -2.550 0.234
191 HA TRP 457 HA TRP 457 -5.511 0.278 0.080
192 HB2 TRP 457 HB2 TRP 457 -7.888 -1.110 -1.167
193 HB3 TRP 457 HB1 TRP 457 -7.688 0.647 -1.131
194 HD1 TRP 457 HD1 TRP 457 -5.540 -2.398 -2.230
195 HE1 TRP 457 HE1 TRP 457 -4.190 -1.738 -4.311
196 HE3 TRP 457 HE3 TRP 457 -7.214 2.416 -2.791
197 HZ2 TRP 457 HZ2 TRP 457 -3.851 0.495 -5.943
198 HZ3 TRP 457 HZ3 TRP 457 -6.333 3.738 -4.680
199 HH2 TRP 457 HH2 TRP 457 -4.700 2.794 -6.233
200 H GLU 458 HN GLU 458 -6.913 -1.938 2.119
201 HA GLU 458 HA GLU 458 -7.907 0.292 3.760
202 HB2 GLU 458 HB2 GLU 458 -9.660 -1.393 3.192
203 HB3 GLU 458 HB1 GLU 458 -8.687 -2.628 3.981
204 HG2 GLU 458 HG2 GLU 458 -10.484 -1.832 5.424
205 HG3 GLU 458 HG1 GLU 458 -8.898 -1.467 6.103
206 H LYS 459 HN LYS 459 -7.018 0.486 5.822
207 HA LYS 459 HA LYS 459 -4.403 -0.614 6.069
208 HB2 LYS 459 HB2 LYS 459 -6.052 1.155 7.853
209 HB3 LYS 459 HB1 LYS 459 -4.464 0.569 8.338
210 HG2 LYS 459 HG2 LYS 459 -3.516 1.571 6.286
211 HG3 LYS 459 HG1 LYS 459 -5.102 2.238 5.921
212 HD2 LYS 459 HD2 LYS 459 -3.809 3.959 6.922
213 HD3 LYS 459 HD1 LYS 459 -5.012 3.452 8.105
214 HE2 LYS 459 HE2 LYS 459 -2.184 2.408 8.080
215 HE3 LYS 459 HE1 LYS 459 -2.650 3.859 8.959
216 HZ1 LYS 459 HZ1 LYS 459 -4.362 2.371 10.086
217 HZ2 LYS 459 HZ2 LYS 459 -2.741 2.156 10.520
218 HZ3 LYS 459 HZ3 LYS 459 -3.479 1.064 9.465
219 HA PRO 460 HA PRO 460 -5.416 -4.357 8.234
220 HB2 PRO 460 HB2 PRO 460 -2.834 -5.010 8.835
221 HB3 PRO 460 HB1 PRO 460 -3.560 -5.276 7.248
222 HG2 PRO 460 HG2 PRO 460 -1.775 -3.063 8.166
223 HG3 PRO 460 HG1 PRO 460 -1.759 -3.954 6.633
224 HD2 PRO 460 HD2 PRO 460 -2.838 -1.488 6.862
225 HD3 PRO 460 HD1 PRO 460 -3.477 -2.708 5.741
Start of MODEL 13
1 H1 SER 433 HT1 SER 433 7.407 1.755 5.929
2 H2 SER 433 HT2 SER 433 6.590 0.501 6.717
3 H3 SER 433 HT3 SER 433 6.459 0.671 5.037
4 HA SER 433 HA SER 433 8.811 0.205 4.786
5 HB2 SER 433 HB2 SER 433 8.740 -0.414 7.748
6 HB3 SER 433 HB1 SER 433 10.143 -0.482 6.679
7 HG SER 433 HG SER 433 10.366 1.478 7.525
8 H GLU 434 HN GLU 434 6.724 -1.488 7.141
9 HA GLU 434 HA GLU 434 7.076 -4.029 5.834
10 HB2 GLU 434 HB2 GLU 434 6.538 -4.133 8.140
11 HB3 GLU 434 HB1 GLU 434 5.222 -2.983 7.970
12 HG2 GLU 434 HG2 GLU 434 3.948 -4.661 6.706
13 HG3 GLU 434 HG1 GLU 434 5.261 -5.814 6.948
14 H TRP 435 HN TRP 435 4.709 -1.457 5.921
15 HA TRP 435 HA TRP 435 3.535 -2.475 3.423
16 HB2 TRP 435 HB2 TRP 435 2.258 -0.616 5.454
17 HB3 TRP 435 HB1 TRP 435 1.490 -1.279 4.017
18 HD1 TRP 435 HD1 TRP 435 1.374 -1.768 7.545
19 HE1 TRP 435 HE1 TRP 435 0.675 -4.164 8.191
20 HE3 TRP 435 HE3 TRP 435 2.140 -4.081 3.061
21 HZ2 TRP 435 HZ2 TRP 435 0.467 -6.687 6.964
22 HZ3 TRP 435 HZ3 TRP 435 1.680 -6.485 2.886
23 HH2 TRP 435 HH2 TRP 435 0.851 -7.765 4.785
24 H THR 436 HN THR 436 3.358 -0.989 1.719
25 HA THR 436 HA THR 436 4.996 1.402 1.972
26 HB THR 436 HB THR 436 3.598 0.225 -0.441
27 HG1 THR 436 HG1 THR 436 5.257 -1.078 -0.284
28 HG21 THR 436 HG21 THR 436 5.010 1.767 -1.757
29 HG22 THR 436 HG22 THR 436 5.567 2.510 -0.258
30 HG23 THR 436 HG23 THR 436 3.868 2.627 -0.721
31 H GLU 437 HN GLU 437 3.860 2.972 3.059
32 HA GLU 437 HA GLU 437 1.137 3.569 2.203
33 HB2 GLU 437 HB2 GLU 437 2.613 5.388 4.050
34 HB3 GLU 437 HB1 GLU 437 0.927 4.899 4.075
35 HG2 GLU 437 HG2 GLU 437 1.600 3.748 5.887
36 HG3 GLU 437 HG1 GLU 437 2.062 2.552 4.677
37 H ARG 438 HN ARG 438 1.096 4.509 0.246
38 HA ARG 438 HA ARG 438 2.726 6.916 -0.081
39 HB2 ARG 438 HB2 ARG 438 3.815 5.003 -1.250
40 HB3 ARG 438 HB1 ARG 438 2.364 4.810 -2.223
41 HG2 ARG 438 HG2 ARG 438 2.688 6.949 -3.247
42 HG3 ARG 438 HG1 ARG 438 4.029 7.314 -2.160
43 HD2 ARG 438 HD2 ARG 438 3.966 5.091 -4.196
44 HD3 ARG 438 HD1 ARG 438 4.811 6.628 -4.378
45 HE ARG 438 HE ARG 438 5.720 5.473 -2.015
46 HH11 ARG 438 HH11 ARG 438 5.791 4.807 -5.458
47 HH12 ARG 438 HH12 ARG 438 7.262 3.881 -5.374
48 HH21 ARG 438 HH21 ARG 438 7.665 4.304 -1.912
49 HH22 ARG 438 HH22 ARG 438 8.351 3.617 -3.355
50 H LYS 439 HN LYS 439 1.756 8.509 -1.553
51 HA LYS 439 HA LYS 439 -1.130 8.121 -1.793
52 HB2 LYS 439 HB2 LYS 439 -1.139 10.631 -2.076
53 HB3 LYS 439 HB1 LYS 439 -0.611 10.053 -0.501
54 HG2 LYS 439 HG2 LYS 439 1.724 10.390 -1.170
55 HG3 LYS 439 HG1 LYS 439 1.179 10.995 -2.736
56 HD2 LYS 439 HD2 LYS 439 0.512 12.214 -0.056
57 HD3 LYS 439 HD1 LYS 439 1.734 12.814 -1.178
58 HE2 LYS 439 HE2 LYS 439 0.019 13.230 -2.853
59 HE3 LYS 439 HE1 LYS 439 -1.212 12.575 -1.776
60 HZ1 LYS 439 HZ1 LYS 439 0.433 14.994 -1.262
61 HZ2 LYS 439 HZ2 LYS 439 -0.736 14.357 -0.213
62 HZ3 LYS 439 HZ3 LYS 439 -1.202 14.977 -1.720
63 H THR 440 HN THR 440 -1.884 7.629 -3.712
64 HA THR 440 HA THR 440 -0.363 8.241 -6.112
65 HB THR 440 HB THR 440 -1.424 6.032 -5.965
66 HG1 THR 440 HG1 THR 440 -1.401 6.365 -8.058
67 HG21 THR 440 HG21 THR 440 -3.866 5.798 -6.102
68 HG22 THR 440 HG22 THR 440 -4.039 7.547 -5.947
69 HG23 THR 440 HG23 THR 440 -3.372 6.605 -4.613
70 H ALA 441 HN ALA 441 -1.227 9.453 -7.861
71 HA ALA 441 HA ALA 441 -2.224 11.945 -7.081
72 HB1 ALA 441 HB1 ALA 441 -2.296 12.479 -9.451
73 HB2 ALA 441 HB2 ALA 441 -2.157 10.766 -9.852
74 HB3 ALA 441 HB3 ALA 441 -0.821 11.597 -9.055
75 H ASP 442 HN ASP 442 -3.928 9.075 -7.659
76 HA ASP 442 HA ASP 442 -6.392 10.223 -8.548
77 HB2 ASP 442 HB2 ASP 442 -5.763 7.822 -8.873
78 HB3 ASP 442 HB1 ASP 442 -5.953 7.578 -7.140
79 H GLY 443 HN GLY 443 -4.751 10.363 -5.648
80 HA2 GLY 443 HA2 GLY 443 -5.438 11.658 -3.814
81 HA3 GLY 443 HA1 GLY 443 -7.105 11.476 -4.338
82 H LYS 444 HN LYS 444 -4.769 8.890 -3.868
83 HA LYS 444 HA LYS 444 -6.321 7.946 -1.566
84 HB2 LYS 444 HB2 LYS 444 -6.227 6.740 -4.196
85 HB3 LYS 444 HB1 LYS 444 -5.568 5.647 -2.989
86 HG2 LYS 444 HG2 LYS 444 -7.638 5.045 -2.501
87 HG3 LYS 444 HG1 LYS 444 -7.915 6.665 -1.863
88 HD2 LYS 444 HD2 LYS 444 -8.244 5.963 -4.773
89 HD3 LYS 444 HD1 LYS 444 -9.563 5.860 -3.606
90 HE2 LYS 444 HE2 LYS 444 -9.366 8.220 -3.125
91 HE3 LYS 444 HE1 LYS 444 -7.964 8.346 -4.185
92 HZ1 LYS 444 HZ1 LYS 444 -10.666 7.538 -5.110
93 HZ2 LYS 444 HZ2 LYS 444 -9.313 7.887 -6.073
94 HZ3 LYS 444 HZ3 LYS 444 -10.068 9.124 -5.189
95 H THR 445 HN THR 445 -5.062 7.320 0.070
96 HA THR 445 HA THR 445 -2.211 6.900 -0.385
97 HB THR 445 HB THR 445 -3.750 6.801 2.227
98 HG1 THR 445 HG1 THR 445 -2.086 8.954 1.480
99 HG21 THR 445 HG21 THR 445 -0.794 7.080 1.663
100 HG22 THR 445 HG22 THR 445 -1.593 5.643 2.302
101 HG23 THR 445 HG23 THR 445 -1.548 7.124 3.257
102 H TYR 446 HN TYR 446 -2.014 4.938 -1.389
103 HA TYR 446 HA TYR 446 -3.558 2.696 -0.317
104 HB2 TYR 446 HB2 TYR 446 -3.328 1.625 -2.416
105 HB3 TYR 446 HB1 TYR 446 -3.718 3.301 -2.761
106 HD1 TYR 446 HD1 TYR 446 -1.575 4.848 -3.176
107 HD2 TYR 446 HD2 TYR 446 -1.668 0.617 -3.608
108 HE1 TYR 446 HE1 TYR 446 0.357 4.964 -4.694
109 HE2 TYR 446 HE2 TYR 446 0.257 0.716 -5.123
110 HH TYR 446 HH TYR 446 2.153 3.542 -5.502
111 H TYR 447 HN TYR 447 -2.599 0.766 0.266
112 HA TYR 447 HA TYR 447 0.252 1.021 0.876
113 HB2 TYR 447 HB2 TYR 447 -1.734 -0.882 2.147
114 HB3 TYR 447 HB1 TYR 447 -0.104 -0.507 2.702
115 HD1 TYR 447 HD2 TYR 447 -3.517 0.872 2.323
116 HD2 TYR 447 HD1 TYR 447 0.336 1.429 4.037
117 HE1 TYR 447 HE2 TYR 447 -4.384 2.737 3.669
118 HE2 TYR 447 HE1 TYR 447 -0.522 3.293 5.377
119 HH TYR 447 HH TYR 447 -2.280 4.843 5.451
120 H TYR 448 HN TYR 448 1.229 0.236 -0.934
121 HA TYR 448 HA TYR 448 0.434 -2.324 -2.018
122 HB2 TYR 448 HB2 TYR 448 1.160 -0.549 -3.537
123 HB3 TYR 448 HB1 TYR 448 2.721 -0.471 -2.732
124 HD1 TYR 448 HD1 TYR 448 0.541 -2.669 -4.780
125 HD2 TYR 448 HD2 TYR 448 4.484 -1.886 -3.387
126 HE1 TYR 448 HE1 TYR 448 1.424 -4.343 -6.350
127 HE2 TYR 448 HE2 TYR 448 5.377 -3.558 -4.951
128 HH TYR 448 HH TYR 448 4.613 -5.522 -6.187
129 H ASN 449 HN ASN 449 1.176 -4.188 -1.287
130 HA ASN 449 HA ASN 449 3.377 -4.247 0.607
131 HB2 ASN 449 HB2 ASN 449 1.317 -5.434 1.170
132 HB3 ASN 449 HB1 ASN 449 1.443 -6.390 -0.303
133 HD21 ASN 449 HD21 ASN 449 1.351 -8.235 1.079
134 HD22 ASN 449 HD22 ASN 449 2.756 -8.757 1.940
135 H ASN 450 HN ASN 450 5.334 -5.008 0.191
136 HA ASN 450 HA ASN 450 5.887 -5.911 -2.530
137 HB2 ASN 450 HB2 ASN 450 8.156 -5.285 -2.189
138 HB3 ASN 450 HB1 ASN 450 7.175 -3.989 -1.525
139 HD21 ASN 450 HD21 ASN 450 6.576 -5.517 0.952
140 HD22 ASN 450 HD22 ASN 450 8.027 -5.465 1.883
141 H ARG 451 HN ARG 451 5.255 -7.256 0.416
142 HA ARG 451 HA ARG 451 7.228 -9.324 0.466
143 HB2 ARG 451 HB2 ARG 451 4.551 -9.143 1.866
144 HB3 ARG 451 HB1 ARG 451 5.761 -10.383 2.176
145 HG2 ARG 451 HG2 ARG 451 7.337 -8.529 2.785
146 HG3 ARG 451 HG1 ARG 451 5.966 -7.434 2.706
147 HD2 ARG 451 HD2 ARG 451 4.881 -8.495 4.498
148 HD3 ARG 451 HD1 ARG 451 5.937 -9.905 4.409
149 HE ARG 451 HE ARG 451 7.697 -8.010 4.997
150 HH11 ARG 451 HH11 ARG 451 4.551 -8.668 6.394
151 HH12 ARG 451 HH12 ARG 451 4.977 -8.022 7.949
152 HH21 ARG 451 HH21 ARG 451 8.277 -7.235 7.044
153 HH22 ARG 451 HH22 ARG 451 7.110 -7.232 8.334
154 H THR 452 HN THR 452 3.705 -9.553 -0.115
155 HA THR 452 HA THR 452 4.225 -11.950 -1.729
156 HB THR 452 HB THR 452 1.755 -12.375 -1.416
157 HG1 THR 452 HG1 THR 452 0.589 -11.035 -0.243
158 HG21 THR 452 HG21 THR 452 1.997 -13.194 0.885
159 HG22 THR 452 HG22 THR 452 3.456 -12.221 1.070
160 HG23 THR 452 HG23 THR 452 3.423 -13.548 -0.089
161 H LEU 453 HN LEU 453 3.886 -8.789 -2.159
162 HA LEU 453 HA LEU 453 3.126 -7.351 -3.712
163 HB2 LEU 453 HB2 LEU 453 3.028 -9.880 -5.340
164 HB3 LEU 453 HB1 LEU 453 2.508 -8.345 -6.004
165 HG LEU 453 HG LEU 453 4.804 -7.444 -5.510
166 HD11 LEU 453 HD11 LEU 453 6.618 -9.017 -5.135
167 HD12 LEU 453 HD12 LEU 453 5.463 -10.345 -5.022
168 HD13 LEU 453 HD13 LEU 453 5.461 -9.068 -3.804
169 HD21 LEU 453 HD21 LEU 453 4.159 -8.143 -7.745
170 HD22 LEU 453 HD22 LEU 453 4.622 -9.804 -7.376
171 HD23 LEU 453 HD23 LEU 453 5.849 -8.538 -7.433
172 H GLU 454 HN GLU 454 1.404 -7.008 -2.239
173 HA GLU 454 HA GLU 454 -1.215 -7.874 -3.266
174 HB2 GLU 454 HB2 GLU 454 -0.470 -9.023 -1.097
175 HB3 GLU 454 HB1 GLU 454 -0.593 -7.440 -0.338
176 HG2 GLU 454 HG2 GLU 454 -3.004 -7.525 -1.439
177 HG3 GLU 454 HG1 GLU 454 -2.713 -9.257 -1.303
178 H SER 455 HN SER 455 -2.697 -6.212 -3.446
179 HA SER 455 HA SER 455 -1.730 -3.565 -2.650
180 HB2 SER 455 HB2 SER 455 -4.066 -4.301 -4.426
181 HB3 SER 455 HB1 SER 455 -3.480 -2.670 -4.114
182 HG SER 455 HG SER 455 -2.614 -3.383 -6.045
183 H THR 456 HN THR 456 -2.203 -3.214 -0.578
184 HA THR 456 HA THR 456 -4.828 -3.986 0.462
185 HB THR 456 HB THR 456 -2.513 -2.849 2.036
186 HG1 THR 456 HG1 THR 456 -3.040 -5.593 1.383
187 HG21 THR 456 HG21 THR 456 -4.589 -2.874 3.243
188 HG22 THR 456 HG22 THR 456 -3.575 -4.178 3.862
189 HG23 THR 456 HG23 THR 456 -4.904 -4.540 2.761
190 H TRP 457 HN TRP 457 -6.387 -2.453 0.349
191 HA TRP 457 HA TRP 457 -5.501 0.349 0.286
192 HB2 TRP 457 HB2 TRP 457 -7.904 -0.986 -0.971
193 HB3 TRP 457 HB1 TRP 457 -7.684 0.765 -0.920
194 HD1 TRP 457 HD1 TRP 457 -5.685 -2.329 -2.149
195 HE1 TRP 457 HE1 TRP 457 -4.351 -1.645 -4.235
196 HE3 TRP 457 HE3 TRP 457 -7.062 2.592 -2.429
197 HZ2 TRP 457 HZ2 TRP 457 -3.909 0.650 -5.771
198 HZ3 TRP 457 HZ3 TRP 457 -6.152 3.955 -4.268
199 HH2 TRP 457 HH2 TRP 457 -4.615 3.004 -5.909
200 H GLU 458 HN GLU 458 -6.942 -1.851 2.267
201 HA GLU 458 HA GLU 458 -8.045 0.330 3.911
202 HB2 GLU 458 HB2 GLU 458 -9.706 -1.440 3.153
203 HB3 GLU 458 HB1 GLU 458 -8.794 -2.593 4.119
204 HG2 GLU 458 HG2 GLU 458 -10.762 -1.771 5.301
205 HG3 GLU 458 HG1 GLU 458 -9.271 -1.322 6.131
206 H LYS 459 HN LYS 459 -7.134 0.573 5.921
207 HA LYS 459 HA LYS 459 -4.508 -0.394 6.158
208 HB2 LYS 459 HB2 LYS 459 -6.259 1.280 7.862
209 HB3 LYS 459 HB1 LYS 459 -4.819 0.580 8.593
210 HG2 LYS 459 HG2 LYS 459 -3.699 1.537 6.402
211 HG3 LYS 459 HG1 LYS 459 -5.074 2.636 6.485
212 HD2 LYS 459 HD2 LYS 459 -3.221 3.641 7.620
213 HD3 LYS 459 HD1 LYS 459 -4.424 3.179 8.827
214 HE2 LYS 459 HE2 LYS 459 -2.052 1.458 8.125
215 HE3 LYS 459 HE1 LYS 459 -1.988 2.695 9.375
216 HZ1 LYS 459 HZ1 LYS 459 -2.431 0.591 10.386
217 HZ2 LYS 459 HZ2 LYS 459 -3.732 0.287 9.349
218 HZ3 LYS 459 HZ3 LYS 459 -3.838 1.527 10.501
219 HA PRO 460 HA PRO 460 -4.952 -4.213 8.564
220 HB2 PRO 460 HB2 PRO 460 -2.096 -3.490 8.968
221 HB3 PRO 460 HB1 PRO 460 -2.807 -5.042 8.512
222 HG2 PRO 460 HG2 PRO 460 -1.535 -3.512 6.729
223 HG3 PRO 460 HG1 PRO 460 -2.961 -4.466 6.285
224 HD2 PRO 460 HD2 PRO 460 -2.703 -1.535 6.732
225 HD3 PRO 460 HD1 PRO 460 -3.758 -2.433 5.618
Start of MODEL 14
1 H1 SER 433 HT1 SER 433 7.723 -2.451 8.209
2 H2 SER 433 HT2 SER 433 6.517 -1.315 7.837
3 H3 SER 433 HT3 SER 433 7.883 -0.840 8.716
4 HA SER 433 HA SER 433 8.021 -0.098 6.435
5 HB2 SER 433 HB2 SER 433 9.978 -2.284 7.184
6 HB3 SER 433 HB1 SER 433 10.249 -1.079 5.924
7 HG SER 433 HG SER 433 10.527 0.449 7.393
8 H GLU 434 HN GLU 434 6.563 -3.049 6.754
9 HA GLU 434 HA GLU 434 7.210 -4.116 4.152
10 HB2 GLU 434 HB2 GLU 434 5.613 -5.873 4.711
11 HB3 GLU 434 HB1 GLU 434 6.717 -5.600 6.054
12 HG2 GLU 434 HG2 GLU 434 4.908 -4.074 7.005
13 HG3 GLU 434 HG1 GLU 434 3.836 -4.812 5.815
14 H TRP 435 HN TRP 435 5.037 -1.839 5.415
15 HA TRP 435 HA TRP 435 3.143 -2.178 3.215
16 HB2 TRP 435 HB2 TRP 435 2.987 -0.445 5.691
17 HB3 TRP 435 HB1 TRP 435 1.731 -0.568 4.464
18 HD1 TRP 435 HD1 TRP 435 1.982 -1.593 7.757
19 HE1 TRP 435 HE1 TRP 435 0.917 -3.890 8.242
20 HE3 TRP 435 HE3 TRP 435 1.766 -3.415 2.985
21 HZ2 TRP 435 HZ2 TRP 435 0.099 -6.167 6.792
22 HZ3 TRP 435 HZ3 TRP 435 0.844 -5.664 2.622
23 HH2 TRP 435 HH2 TRP 435 0.021 -7.009 4.483
24 H THR 436 HN THR 436 3.486 -0.961 1.411
25 HA THR 436 HA THR 436 4.919 1.559 1.621
26 HB THR 436 HB THR 436 3.750 0.122 -0.777
27 HG1 THR 436 HG1 THR 436 5.943 -0.318 0.589
28 HG21 THR 436 HG21 THR 436 5.469 2.611 -0.667
29 HG22 THR 436 HG22 THR 436 3.773 2.540 -1.161
30 HG23 THR 436 HG23 THR 436 5.012 1.744 -2.133
31 H GLU 437 HN GLU 437 3.483 2.814 2.798
32 HA GLU 437 HA GLU 437 0.807 3.207 1.744
33 HB2 GLU 437 HB2 GLU 437 2.090 4.584 4.114
34 HB3 GLU 437 HB1 GLU 437 0.375 4.520 3.721
35 HG2 GLU 437 HG2 GLU 437 0.496 2.033 4.018
36 HG3 GLU 437 HG1 GLU 437 2.133 2.254 4.627
37 H ARG 438 HN ARG 438 0.930 4.299 -0.111
38 HA ARG 438 HA ARG 438 2.471 6.800 -0.121
39 HB2 ARG 438 HB2 ARG 438 3.693 5.115 -1.372
40 HB3 ARG 438 HB1 ARG 438 2.259 4.715 -2.305
41 HG2 ARG 438 HG2 ARG 438 2.298 7.018 -3.239
42 HG3 ARG 438 HG1 ARG 438 3.826 7.280 -2.396
43 HD2 ARG 438 HD2 ARG 438 3.300 5.140 -4.452
44 HD3 ARG 438 HD1 ARG 438 4.153 6.655 -4.747
45 HE ARG 438 HE ARG 438 5.767 5.805 -2.980
46 HH11 ARG 438 HH11 ARG 438 3.924 3.673 -5.071
47 HH12 ARG 438 HH12 ARG 438 5.116 2.401 -5.037
48 HH21 ARG 438 HH21 ARG 438 7.305 4.119 -2.891
49 HH22 ARG 438 HH22 ARG 438 7.024 2.646 -3.777
50 H LYS 439 HN LYS 439 1.532 8.537 -1.443
51 HA LYS 439 HA LYS 439 -1.294 8.112 -2.006
52 HB2 LYS 439 HB2 LYS 439 0.368 10.625 -1.872
53 HB3 LYS 439 HB1 LYS 439 -1.331 10.593 -2.320
54 HG2 LYS 439 HG2 LYS 439 -1.810 9.554 -0.095
55 HG3 LYS 439 HG1 LYS 439 -0.126 9.857 0.335
56 HD2 LYS 439 HD2 LYS 439 -1.587 11.633 1.164
57 HD3 LYS 439 HD1 LYS 439 -0.457 12.251 -0.043
58 HE2 LYS 439 HE2 LYS 439 -2.225 12.050 -1.752
59 HE3 LYS 439 HE1 LYS 439 -3.349 11.522 -0.500
60 HZ1 LYS 439 HZ1 LYS 439 -3.544 13.894 -1.039
61 HZ2 LYS 439 HZ2 LYS 439 -1.949 14.143 -0.517
62 HZ3 LYS 439 HZ3 LYS 439 -3.133 13.635 0.586
63 H THR 440 HN THR 440 -1.952 7.692 -3.963
64 HA THR 440 HA THR 440 -0.246 8.252 -6.251
65 HB THR 440 HB THR 440 -1.473 6.101 -6.145
66 HG1 THR 440 HG1 THR 440 -1.964 6.112 -8.283
67 HG21 THR 440 HG21 THR 440 -3.898 6.055 -6.544
68 HG22 THR 440 HG22 THR 440 -3.945 7.814 -6.420
69 HG23 THR 440 HG23 THR 440 -3.503 6.843 -5.016
70 H ALA 441 HN ALA 441 -0.976 9.537 -8.050
71 HA ALA 441 HA ALA 441 -1.727 12.089 -7.183
72 HB1 ALA 441 HB1 ALA 441 -1.681 11.060 -10.012
73 HB2 ALA 441 HB2 ALA 441 -0.284 11.654 -9.114
74 HB3 ALA 441 HB3 ALA 441 -1.612 12.747 -9.506
75 H ASP 442 HN ASP 442 -3.752 9.479 -7.934
76 HA ASP 442 HA ASP 442 -6.010 10.968 -8.863
77 HB2 ASP 442 HB2 ASP 442 -5.650 8.478 -9.172
78 HB3 ASP 442 HB1 ASP 442 -6.055 8.284 -7.470
79 H GLY 443 HN GLY 443 -4.440 10.807 -5.932
80 HA2 GLY 443 HA2 GLY 443 -4.990 12.059 -4.031
81 HA3 GLY 443 HA1 GLY 443 -6.656 12.137 -4.586
82 H LYS 444 HN LYS 444 -4.896 9.130 -4.455
83 HA LYS 444 HA LYS 444 -6.532 8.335 -2.130
84 HB2 LYS 444 HB2 LYS 444 -5.762 6.572 -4.468
85 HB3 LYS 444 HB1 LYS 444 -6.715 6.088 -3.076
86 HG2 LYS 444 HG2 LYS 444 -8.407 7.809 -3.760
87 HG3 LYS 444 HG1 LYS 444 -7.489 8.007 -5.254
88 HD2 LYS 444 HD2 LYS 444 -7.779 5.592 -5.705
89 HD3 LYS 444 HD1 LYS 444 -8.775 5.467 -4.254
90 HE2 LYS 444 HE2 LYS 444 -9.353 7.060 -6.744
91 HE3 LYS 444 HE1 LYS 444 -10.230 5.653 -6.147
92 HZ1 LYS 444 HZ1 LYS 444 -10.157 8.378 -4.982
93 HZ2 LYS 444 HZ2 LYS 444 -10.747 7.038 -4.127
94 HZ3 LYS 444 HZ3 LYS 444 -11.505 7.526 -5.563
95 H THR 445 HN THR 445 -5.481 7.424 -0.483
96 HA THR 445 HA THR 445 -2.608 7.042 -0.712
97 HB THR 445 HB THR 445 -4.221 6.582 1.784
98 HG1 THR 445 HG1 THR 445 -4.762 8.624 1.716
99 HG21 THR 445 HG21 THR 445 -1.395 7.482 1.222
100 HG22 THR 445 HG22 THR 445 -1.904 5.943 1.915
101 HG23 THR 445 HG23 THR 445 -2.119 7.438 2.828
102 H TYR 446 HN TYR 446 -2.114 5.108 -1.661
103 HA TYR 446 HA TYR 446 -3.792 2.814 -0.968
104 HB2 TYR 446 HB2 TYR 446 -3.039 1.745 -2.969
105 HB3 TYR 446 HB1 TYR 446 -3.519 3.379 -3.381
106 HD1 TYR 446 HD1 TYR 446 -1.607 5.124 -3.632
107 HD2 TYR 446 HD2 TYR 446 -0.995 0.914 -3.623
108 HE1 TYR 446 HE1 TYR 446 0.540 5.436 -4.793
109 HE2 TYR 446 HE2 TYR 446 1.148 1.213 -4.777
110 HH TYR 446 HH TYR 446 2.242 2.867 -6.227
111 H TYR 447 HN TYR 447 -2.958 0.965 -0.062
112 HA TYR 447 HA TYR 447 -0.214 1.228 0.916
113 HB2 TYR 447 HB2 TYR 447 -2.174 -0.754 2.023
114 HB3 TYR 447 HB1 TYR 447 -0.814 0.029 2.821
115 HD1 TYR 447 HD1 TYR 447 -1.135 2.772 2.775
116 HD2 TYR 447 HD2 TYR 447 -4.232 -0.140 2.811
117 HE1 TYR 447 HE1 TYR 447 -2.661 4.424 3.747
118 HE2 TYR 447 HE2 TYR 447 -5.774 1.510 3.779
119 HH TYR 447 HH TYR 447 -5.718 3.586 5.037
120 H TYR 448 HN TYR 448 0.956 0.339 -0.722
121 HA TYR 448 HA TYR 448 0.197 -2.205 -1.854
122 HB2 TYR 448 HB2 TYR 448 1.170 -0.382 -3.233
123 HB3 TYR 448 HB1 TYR 448 2.671 -0.525 -2.330
124 HD1 TYR 448 HD1 TYR 448 0.346 -2.505 -4.463
125 HD2 TYR 448 HD2 TYR 448 4.339 -1.957 -3.100
126 HE1 TYR 448 HE1 TYR 448 1.121 -4.189 -6.074
127 HE2 TYR 448 HE2 TYR 448 5.123 -3.644 -4.708
128 HH TYR 448 HH TYR 448 4.308 -5.474 -5.999
129 H ASN 449 HN ASN 449 1.041 -4.116 -1.398
130 HA ASN 449 HA ASN 449 2.662 -4.368 1.000
131 HB2 ASN 449 HB2 ASN 449 0.722 -5.725 0.992
132 HB3 ASN 449 HB1 ASN 449 0.983 -6.232 -0.671
133 HD21 ASN 449 HD21 ASN 449 1.701 -6.816 2.634
134 HD22 ASN 449 HD22 ASN 449 2.577 -8.287 2.400
135 H ASN 450 HN ASN 450 4.758 -4.870 0.976
136 HA ASN 450 HA ASN 450 6.024 -5.374 -1.610
137 HB2 ASN 450 HB2 ASN 450 6.829 -3.524 -0.113
138 HB3 ASN 450 HB1 ASN 450 7.326 -4.747 1.050
139 HD21 ASN 450 HD21 ASN 450 7.596 -5.058 -2.439
140 HD22 ASN 450 HD22 ASN 450 9.326 -5.052 -2.493
141 H ARG 451 HN ARG 451 4.807 -7.128 0.881
142 HA ARG 451 HA ARG 451 6.906 -9.015 1.297
143 HB2 ARG 451 HB2 ARG 451 3.960 -9.409 1.822
144 HB3 ARG 451 HB1 ARG 451 5.280 -10.349 2.498
145 HG2 ARG 451 HG2 ARG 451 6.086 -8.203 3.568
146 HG3 ARG 451 HG1 ARG 451 4.536 -7.504 3.093
147 HD2 ARG 451 HD2 ARG 451 5.064 -9.771 4.997
148 HD3 ARG 451 HD1 ARG 451 4.250 -8.241 5.317
149 HE ARG 451 HE ARG 451 3.033 -10.152 3.445
150 HH11 ARG 451 HH11 ARG 451 2.920 -8.374 6.478
151 HH12 ARG 451 HH12 ARG 451 1.324 -8.944 6.881
152 HH21 ARG 451 HH21 ARG 451 0.937 -10.860 3.963
153 HH22 ARG 451 HH22 ARG 451 0.193 -10.354 5.448
154 H THR 452 HN THR 452 3.784 -9.281 -0.387
155 HA THR 452 HA THR 452 4.905 -11.511 -1.969
156 HB THR 452 HB THR 452 1.979 -11.170 -1.284
157 HG1 THR 452 HG1 THR 452 3.937 -12.737 0.091
158 HG21 THR 452 HG21 THR 452 3.606 -13.569 -2.144
159 HG22 THR 452 HG22 THR 452 2.493 -12.659 -3.164
160 HG23 THR 452 HG23 THR 452 1.881 -13.570 -1.782
161 H LEU 453 HN LEU 453 4.120 -8.382 -2.190
162 HA LEU 453 HA LEU 453 3.491 -6.925 -3.789
163 HB2 LEU 453 HB2 LEU 453 3.795 -9.341 -5.560
164 HB3 LEU 453 HB1 LEU 453 3.210 -7.815 -6.188
165 HG LEU 453 HG LEU 453 5.348 -6.752 -5.402
166 HD11 LEU 453 HD11 LEU 453 5.986 -8.395 -3.714
167 HD12 LEU 453 HD12 LEU 453 7.252 -8.200 -4.927
168 HD13 LEU 453 HD13 LEU 453 6.197 -9.613 -4.972
169 HD21 LEU 453 HD21 LEU 453 5.016 -7.366 -7.723
170 HD22 LEU 453 HD22 LEU 453 5.566 -9.008 -7.387
171 HD23 LEU 453 HD23 LEU 453 6.689 -7.656 -7.244
172 H GLU 454 HN GLU 454 1.634 -6.761 -2.542
173 HA GLU 454 HA GLU 454 -0.809 -7.922 -3.702
174 HB2 GLU 454 HB2 GLU 454 -0.100 -9.196 -1.702
175 HB3 GLU 454 HB1 GLU 454 -0.062 -7.710 -0.770
176 HG2 GLU 454 HG2 GLU 454 -2.484 -7.470 -1.094
177 HG3 GLU 454 HG1 GLU 454 -2.498 -9.000 -1.970
178 H SER 455 HN SER 455 -2.684 -6.532 -3.453
179 HA SER 455 HA SER 455 -1.922 -3.777 -2.780
180 HB2 SER 455 HB2 SER 455 -3.927 -3.101 -4.089
181 HB3 SER 455 HB1 SER 455 -2.759 -4.014 -5.041
182 HG SER 455 HG SER 455 -4.608 -5.623 -3.829
183 H THR 456 HN THR 456 -2.429 -3.181 -0.776
184 HA THR 456 HA THR 456 -4.818 -4.362 0.488
185 HB THR 456 HB THR 456 -2.449 -3.143 1.918
186 HG1 THR 456 HG1 THR 456 -2.886 -5.930 1.492
187 HG21 THR 456 HG21 THR 456 -4.469 -3.319 3.258
188 HG22 THR 456 HG22 THR 456 -3.288 -4.507 3.805
189 HG23 THR 456 HG23 THR 456 -4.651 -5.014 2.808
190 H TRP 457 HN TRP 457 -6.451 -2.982 1.009
191 HA TRP 457 HA TRP 457 -5.794 -0.106 0.914
192 HB2 TRP 457 HB2 TRP 457 -8.193 -1.529 -0.243
193 HB3 TRP 457 HB1 TRP 457 -8.088 0.228 -0.081
194 HD1 TRP 457 HD1 TRP 457 -6.156 -2.671 -1.769
195 HE1 TRP 457 HE1 TRP 457 -4.956 -1.747 -3.844
196 HE3 TRP 457 HE3 TRP 457 -7.465 2.263 -1.353
197 HZ2 TRP 457 HZ2 TRP 457 -4.579 0.721 -5.115
198 HZ3 TRP 457 HZ3 TRP 457 -6.658 3.837 -3.066
199 HH2 TRP 457 HH2 TRP 457 -5.260 3.077 -4.915
200 H GLU 458 HN GLU 458 -6.618 -2.397 2.994
201 HA GLU 458 HA GLU 458 -7.960 -0.443 4.737
202 HB2 GLU 458 HB2 GLU 458 -8.090 -3.467 4.842
203 HB3 GLU 458 HB1 GLU 458 -8.775 -2.396 6.056
204 HG2 GLU 458 HG2 GLU 458 -9.603 -2.612 3.172
205 HG3 GLU 458 HG1 GLU 458 -10.502 -3.177 4.578
206 H LYS 459 HN LYS 459 -6.873 0.114 6.573
207 HA LYS 459 HA LYS 459 -4.113 -0.662 6.699
208 HB2 LYS 459 HB2 LYS 459 -5.790 1.210 8.351
209 HB3 LYS 459 HB1 LYS 459 -4.109 0.865 8.737
210 HG2 LYS 459 HG2 LYS 459 -3.503 1.633 6.446
211 HG3 LYS 459 HG1 LYS 459 -5.179 2.124 6.229
212 HD2 LYS 459 HD2 LYS 459 -3.745 4.004 6.899
213 HD3 LYS 459 HD1 LYS 459 -5.008 3.671 8.084
214 HE2 LYS 459 HE2 LYS 459 -2.821 4.145 9.121
215 HE3 LYS 459 HE1 LYS 459 -3.428 2.540 9.514
216 HZ1 LYS 459 HZ1 LYS 459 -1.923 1.570 7.970
217 HZ2 LYS 459 HZ2 LYS 459 -1.028 2.624 8.944
218 HZ3 LYS 459 HZ3 LYS 459 -1.446 3.077 7.361
219 HA PRO 460 HA PRO 460 -4.823 -3.726 9.925
220 HB2 PRO 460 HB2 PRO 460 -2.568 -5.113 9.536
221 HB3 PRO 460 HB1 PRO 460 -3.936 -5.261 8.428
222 HG2 PRO 460 HG2 PRO 460 -1.383 -3.763 8.100
223 HG3 PRO 460 HG1 PRO 460 -2.330 -4.647 6.892
224 HD2 PRO 460 HD2 PRO 460 -2.360 -1.879 7.290
225 HD3 PRO 460 HD1 PRO 460 -3.569 -2.818 6.392
Start of MODEL 15
1 H1 SER 433 HT1 SER 433 7.643 1.523 6.274
2 H2 SER 433 HT2 SER 433 7.273 2.161 7.798
3 H3 SER 433 HT3 SER 433 6.098 1.297 6.941
4 HA SER 433 HA SER 433 8.575 0.269 8.173
5 HB2 SER 433 HB2 SER 433 6.917 -1.199 9.376
6 HB3 SER 433 HB1 SER 433 6.753 0.518 9.736
7 HG SER 433 HG SER 433 4.730 0.117 9.242
8 H GLU 434 HN GLU 434 6.050 -1.958 7.608
9 HA GLU 434 HA GLU 434 7.614 -3.189 5.468
10 HB2 GLU 434 HB2 GLU 434 7.048 -4.615 7.363
11 HB3 GLU 434 HB1 GLU 434 5.339 -4.264 7.151
12 HG2 GLU 434 HG2 GLU 434 5.288 -5.448 5.075
13 HG3 GLU 434 HG1 GLU 434 7.037 -5.661 5.100
14 H TRP 435 HN TRP 435 4.740 -1.426 5.989
15 HA TRP 435 HA TRP 435 3.546 -2.308 3.479
16 HB2 TRP 435 HB2 TRP 435 2.502 -0.483 5.656
17 HB3 TRP 435 HB1 TRP 435 1.605 -0.929 4.206
18 HD1 TRP 435 HD1 TRP 435 1.580 -1.806 7.650
19 HE1 TRP 435 HE1 TRP 435 0.790 -4.224 8.056
20 HE3 TRP 435 HE3 TRP 435 2.121 -3.635 2.918
21 HZ2 TRP 435 HZ2 TRP 435 0.446 -6.600 6.555
22 HZ3 TRP 435 HZ3 TRP 435 1.553 -5.983 2.483
23 HH2 TRP 435 HH2 TRP 435 0.725 -7.434 4.251
24 H THR 436 HN THR 436 3.409 -1.019 1.684
25 HA THR 436 HA THR 436 5.026 1.398 1.712
26 HB THR 436 HB THR 436 3.660 -0.032 -0.579
27 HG1 THR 436 HG1 THR 436 5.334 -1.297 -0.165
28 HG21 THR 436 HG21 THR 436 5.588 2.298 -0.614
29 HG22 THR 436 HG22 THR 436 3.891 2.332 -1.104
30 HG23 THR 436 HG23 THR 436 5.066 1.397 -2.035
31 H GLU 437 HN GLU 437 3.850 2.986 2.663
32 HA GLU 437 HA GLU 437 1.159 3.535 1.721
33 HB2 GLU 437 HB2 GLU 437 2.842 4.999 3.766
34 HB3 GLU 437 HB1 GLU 437 1.140 5.295 3.434
35 HG2 GLU 437 HG2 GLU 437 0.555 3.098 4.228
36 HG3 GLU 437 HG1 GLU 437 2.252 2.686 4.445
37 H ARG 438 HN ARG 438 1.326 4.184 -0.331
38 HA ARG 438 HA ARG 438 3.167 6.397 -0.898
39 HB2 ARG 438 HB2 ARG 438 3.722 4.287 -2.049
40 HB3 ARG 438 HB1 ARG 438 2.117 4.256 -2.764
41 HG2 ARG 438 HG2 ARG 438 2.618 6.316 -3.977
42 HG3 ARG 438 HG1 ARG 438 4.233 6.335 -3.263
43 HD2 ARG 438 HD2 ARG 438 3.149 4.088 -4.955
44 HD3 ARG 438 HD1 ARG 438 4.143 5.403 -5.576
45 HE ARG 438 HE ARG 438 5.689 4.457 -3.601
46 HH11 ARG 438 HH11 ARG 438 3.903 2.728 -6.087
47 HH12 ARG 438 HH12 ARG 438 5.131 1.512 -6.295
48 HH21 ARG 438 HH21 ARG 438 7.282 2.822 -3.854
49 HH22 ARG 438 HH22 ARG 438 7.021 1.554 -5.015
50 H LYS 439 HN LYS 439 2.238 8.267 -2.010
51 HA LYS 439 HA LYS 439 -0.664 8.300 -1.851
52 HB2 LYS 439 HB2 LYS 439 1.250 10.571 -2.393
53 HB3 LYS 439 HB1 LYS 439 -0.463 10.712 -2.026
54 HG2 LYS 439 HG2 LYS 439 -0.042 9.777 0.208
55 HG3 LYS 439 HG1 LYS 439 1.681 9.701 -0.168
56 HD2 LYS 439 HD2 LYS 439 -0.029 12.183 -0.034
57 HD3 LYS 439 HD1 LYS 439 1.212 11.696 1.122
58 HE2 LYS 439 HE2 LYS 439 1.675 12.373 -1.783
59 HE3 LYS 439 HE1 LYS 439 2.015 13.432 -0.417
60 HZ1 LYS 439 HZ1 LYS 439 3.651 11.880 0.378
61 HZ2 LYS 439 HZ2 LYS 439 3.997 12.277 -1.232
62 HZ3 LYS 439 HZ3 LYS 439 3.288 10.784 -0.868
63 H THR 440 HN THR 440 -1.729 7.719 -3.604
64 HA THR 440 HA THR 440 -0.718 8.336 -6.257
65 HB THR 440 HB THR 440 -3.476 7.429 -6.193
66 HG1 THR 440 HG1 THR 440 -2.926 6.437 -4.244
67 HG21 THR 440 HG21 THR 440 -0.874 6.385 -7.284
68 HG22 THR 440 HG22 THR 440 -2.219 7.117 -8.166
69 HG23 THR 440 HG23 THR 440 -2.393 5.508 -7.460
70 H ALA 441 HN ALA 441 -1.560 9.871 -7.624
71 HA ALA 441 HA ALA 441 -2.461 12.235 -6.433
72 HB1 ALA 441 HB1 ALA 441 -1.116 12.146 -8.477
73 HB2 ALA 441 HB2 ALA 441 -2.562 13.136 -8.676
74 HB3 ALA 441 HB3 ALA 441 -2.508 11.509 -9.356
75 H ASP 442 HN ASP 442 -4.295 9.534 -7.295
76 HA ASP 442 HA ASP 442 -6.696 10.878 -8.092
77 HB2 ASP 442 HB2 ASP 442 -6.144 8.502 -8.677
78 HB3 ASP 442 HB1 ASP 442 -6.408 8.075 -6.990
79 H GLY 443 HN GLY 443 -5.128 10.753 -5.189
80 HA2 GLY 443 HA2 GLY 443 -5.884 11.664 -3.159
81 HA3 GLY 443 HA1 GLY 443 -7.543 11.468 -3.716
82 H LYS 444 HN LYS 444 -5.016 9.045 -3.735
83 HA LYS 444 HA LYS 444 -6.335 7.587 -1.567
84 HB2 LYS 444 HB2 LYS 444 -5.639 6.407 -4.264
85 HB3 LYS 444 HB1 LYS 444 -6.182 5.485 -2.870
86 HG2 LYS 444 HG2 LYS 444 -8.312 6.721 -2.923
87 HG3 LYS 444 HG1 LYS 444 -7.760 7.554 -4.378
88 HD2 LYS 444 HD2 LYS 444 -7.586 5.426 -5.549
89 HD3 LYS 444 HD1 LYS 444 -8.084 4.568 -4.089
90 HE2 LYS 444 HE2 LYS 444 -9.739 6.573 -5.617
91 HE3 LYS 444 HE1 LYS 444 -9.941 4.822 -5.656
92 HZ1 LYS 444 HZ1 LYS 444 -10.475 4.854 -3.308
93 HZ2 LYS 444 HZ2 LYS 444 -11.523 5.877 -4.163
94 HZ3 LYS 444 HZ3 LYS 444 -10.256 6.539 -3.247
95 H THR 445 HN THR 445 -4.829 7.045 -0.122
96 HA THR 445 HA THR 445 -2.057 6.704 -0.957
97 HB THR 445 HB THR 445 -3.195 6.296 1.818
98 HG1 THR 445 HG1 THR 445 -3.710 8.399 1.295
99 HG21 THR 445 HG21 THR 445 -0.925 5.436 1.422
100 HG22 THR 445 HG22 THR 445 -0.915 6.802 2.537
101 HG23 THR 445 HG23 THR 445 -0.424 7.030 0.858
102 H TYR 446 HN TYR 446 -1.798 4.765 -2.016
103 HA TYR 446 HA TYR 446 -3.384 2.509 -1.068
104 HB2 TYR 446 HB2 TYR 446 -2.973 1.420 -3.124
105 HB3 TYR 446 HB1 TYR 446 -3.366 3.083 -3.502
106 HD1 TYR 446 HD1 TYR 446 -1.486 4.644 -4.184
107 HD2 TYR 446 HD2 TYR 446 -0.974 0.438 -3.831
108 HE1 TYR 446 HE1 TYR 446 0.511 4.776 -5.598
109 HE2 TYR 446 HE2 TYR 446 1.024 0.553 -5.251
110 HH TYR 446 HH TYR 446 2.288 3.689 -6.359
111 H TYR 447 HN TYR 447 -2.514 0.526 -0.543
112 HA TYR 447 HA TYR 447 0.217 0.773 0.474
113 HB2 TYR 447 HB2 TYR 447 -1.891 -1.148 1.471
114 HB3 TYR 447 HB1 TYR 447 -0.418 -0.619 2.293
115 HD1 TYR 447 HD1 TYR 447 -0.267 2.022 2.522
116 HD2 TYR 447 HD2 TYR 447 -3.882 -0.168 2.198
117 HE1 TYR 447 HE1 TYR 447 -1.482 3.924 3.493
118 HE2 TYR 447 HE2 TYR 447 -5.118 1.721 3.185
119 HH TYR 447 HH TYR 447 -3.786 4.814 3.472
120 H TYR 448 HN TYR 448 1.414 -0.049 -1.183
121 HA TYR 448 HA TYR 448 0.737 -2.583 -2.332
122 HB2 TYR 448 HB2 TYR 448 1.766 -0.900 -3.742
123 HB3 TYR 448 HB1 TYR 448 3.156 -0.798 -2.671
124 HD1 TYR 448 HD1 TYR 448 1.348 -3.173 -4.907
125 HD2 TYR 448 HD2 TYR 448 5.033 -2.121 -3.060
126 HE1 TYR 448 HE1 TYR 448 2.500 -4.894 -6.234
127 HE2 TYR 448 HE2 TYR 448 6.195 -3.841 -4.379
128 HH TYR 448 HH TYR 448 4.747 -5.404 -7.037
129 H ASN 449 HN ASN 449 1.282 -4.468 -1.527
130 HA ASN 449 HA ASN 449 3.166 -4.759 0.660
131 HB2 ASN 449 HB2 ASN 449 0.927 -5.826 0.750
132 HB3 ASN 449 HB1 ASN 449 1.291 -6.711 -0.723
133 HD21 ASN 449 HD21 ASN 449 0.486 -7.887 1.683
134 HD22 ASN 449 HD22 ASN 449 1.785 -8.866 2.275
135 H ASN 450 HN ASN 450 5.236 -5.243 0.212
136 HA ASN 450 HA ASN 450 5.908 -6.103 -2.492
137 HB2 ASN 450 HB2 ASN 450 8.241 -5.530 -1.873
138 HB3 ASN 450 HB1 ASN 450 7.136 -4.177 -1.673
139 HD21 ASN 450 HD21 ASN 450 8.434 -3.115 -0.222
140 HD22 ASN 450 HD22 ASN 450 8.696 -3.679 1.392
141 H ARG 451 HN ARG 451 5.219 -7.498 0.381
142 HA ARG 451 HA ARG 451 7.177 -9.623 0.292
143 HB2 ARG 451 HB2 ARG 451 4.610 -9.560 1.878
144 HB3 ARG 451 HB1 ARG 451 6.000 -10.594 2.154
145 HG2 ARG 451 HG2 ARG 451 5.989 -7.602 2.471
146 HG3 ARG 451 HG1 ARG 451 5.804 -8.763 3.784
147 HD2 ARG 451 HD2 ARG 451 8.042 -9.718 3.048
148 HD3 ARG 451 HD1 ARG 451 8.216 -8.270 2.054
149 HE ARG 451 HE ARG 451 7.661 -7.947 4.920
150 HH11 ARG 451 HH11 ARG 451 9.943 -7.674 2.264
151 HH12 ARG 451 HH12 ARG 451 11.053 -6.688 3.165
152 HH21 ARG 451 HH21 ARG 451 9.113 -6.645 6.080
153 HH22 ARG 451 HH22 ARG 451 10.581 -6.099 5.319
154 H THR 452 HN THR 452 3.802 -9.130 -0.572
155 HA THR 452 HA THR 452 3.750 -11.818 -1.783
156 HB THR 452 HB THR 452 1.266 -10.379 -0.898
157 HG1 THR 452 HG1 THR 452 1.515 -11.162 1.156
158 HG21 THR 452 HG21 THR 452 0.421 -12.660 -0.624
159 HG22 THR 452 HG22 THR 452 1.996 -13.306 -1.083
160 HG23 THR 452 HG23 THR 452 1.035 -12.409 -2.260
161 H LEU 453 HN LEU 453 3.952 -8.655 -2.608
162 HA LEU 453 HA LEU 453 3.483 -7.391 -4.438
163 HB2 LEU 453 HB2 LEU 453 2.929 -10.122 -5.579
164 HB3 LEU 453 HB1 LEU 453 2.694 -8.669 -6.529
165 HG LEU 453 HG LEU 453 5.124 -8.114 -6.087
166 HD11 LEU 453 HD11 LEU 453 5.487 -9.554 -4.164
167 HD12 LEU 453 HD12 LEU 453 6.594 -9.962 -5.475
168 HD13 LEU 453 HD13 LEU 453 5.187 -10.977 -5.159
169 HD21 LEU 453 HD21 LEU 453 4.349 -8.987 -8.214
170 HD22 LEU 453 HD22 LEU 453 4.486 -10.636 -7.605
171 HD23 LEU 453 HD23 LEU 453 5.934 -9.649 -7.810
172 H GLU 454 HN GLU 454 1.533 -7.913 -2.411
173 HA GLU 454 HA GLU 454 -1.064 -8.120 -3.725
174 HB2 GLU 454 HB2 GLU 454 -0.657 -9.361 -1.635
175 HB3 GLU 454 HB1 GLU 454 -0.267 -7.861 -0.810
176 HG2 GLU 454 HG2 GLU 454 -2.621 -7.109 -1.374
177 HG3 GLU 454 HG1 GLU 454 -2.929 -8.782 -1.823
178 H SER 455 HN SER 455 -2.617 -6.380 -3.663
179 HA SER 455 HA SER 455 -1.468 -3.849 -2.714
180 HB2 SER 455 HB2 SER 455 -3.659 -4.193 -4.769
181 HB3 SER 455 HB1 SER 455 -2.920 -2.675 -4.271
182 HG SER 455 HG SER 455 -0.964 -4.305 -4.951
183 H THR 456 HN THR 456 -2.172 -3.398 -0.746
184 HA THR 456 HA THR 456 -4.832 -4.267 0.133
185 HB THR 456 HB THR 456 -2.781 -3.048 1.953
186 HG1 THR 456 HG1 THR 456 -2.699 -5.807 1.204
187 HG21 THR 456 HG21 THR 456 -4.963 -3.694 2.854
188 HG22 THR 456 HG22 THR 456 -3.681 -4.691 3.537
189 HG23 THR 456 HG23 THR 456 -4.724 -5.340 2.271
190 H TRP 457 HN TRP 457 -6.371 -2.728 0.776
191 HA TRP 457 HA TRP 457 -5.535 0.074 0.407
192 HB2 TRP 457 HB2 TRP 457 -8.006 -1.275 -0.699
193 HB3 TRP 457 HB1 TRP 457 -7.758 0.475 -0.704
194 HD1 TRP 457 HD1 TRP 457 -5.974 -2.708 -2.009
195 HE1 TRP 457 HE1 TRP 457 -4.655 -2.093 -4.121
196 HE3 TRP 457 HE3 TRP 457 -7.033 2.295 -2.204
197 HZ2 TRP 457 HZ2 TRP 457 -4.090 0.186 -5.638
198 HZ3 TRP 457 HZ3 TRP 457 -6.088 3.618 -4.054
199 HH2 TRP 457 HH2 TRP 457 -4.662 2.581 -5.750
200 H GLU 458 HN GLU 458 -6.454 -1.925 2.680
201 HA GLU 458 HA GLU 458 -7.875 0.170 4.166
202 HB2 GLU 458 HB2 GLU 458 -8.729 -1.680 5.621
203 HB3 GLU 458 HB1 GLU 458 -9.325 -1.754 3.971
204 HG2 GLU 458 HG2 GLU 458 -6.904 -3.329 4.701
205 HG3 GLU 458 HG1 GLU 458 -8.489 -3.904 5.212
206 H LYS 459 HN LYS 459 -6.903 0.861 6.059
207 HA LYS 459 HA LYS 459 -4.237 -0.143 6.595
208 HB2 LYS 459 HB2 LYS 459 -5.857 2.090 7.809
209 HB3 LYS 459 HB1 LYS 459 -4.290 1.606 8.444
210 HG2 LYS 459 HG2 LYS 459 -3.328 2.039 6.184
211 HG3 LYS 459 HG1 LYS 459 -4.891 2.692 5.712
212 HD2 LYS 459 HD2 LYS 459 -3.361 4.477 6.352
213 HD3 LYS 459 HD1 LYS 459 -4.728 4.388 7.460
214 HE2 LYS 459 HE2 LYS 459 -2.677 4.747 8.694
215 HE3 LYS 459 HE1 LYS 459 -3.332 3.155 9.062
216 HZ1 LYS 459 HZ1 LYS 459 -1.080 3.722 7.188
217 HZ2 LYS 459 HZ2 LYS 459 -1.723 2.188 7.529
218 HZ3 LYS 459 HZ3 LYS 459 -0.948 3.066 8.750
219 HA PRO 460 HA PRO 460 -5.612 -3.221 9.624
220 HB2 PRO 460 HB2 PRO 460 -2.715 -2.881 10.257
221 HB3 PRO 460 HB1 PRO 460 -3.657 -4.364 10.071
222 HG2 PRO 460 HG2 PRO 460 -2.001 -3.532 8.150
223 HG3 PRO 460 HG1 PRO 460 -3.553 -4.299 7.764
224 HD2 PRO 460 HD2 PRO 460 -2.754 -1.444 7.575
225 HD3 PRO 460 HD1 PRO 460 -3.921 -2.363 6.603
Start of MODEL 16
1 H1 SER 433 HT1 SER 433 10.885 -1.523 5.929
2 H2 SER 433 HT2 SER 433 10.237 -2.418 7.214
3 H3 SER 433 HT3 SER 433 10.678 -0.794 7.447
4 HA SER 433 HA SER 433 8.297 -1.036 7.263
5 HB2 SER 433 HB2 SER 433 9.296 1.053 6.488
6 HB3 SER 433 HB1 SER 433 9.620 0.342 4.908
7 HG SER 433 HG SER 433 7.579 0.577 4.363
8 H GLU 434 HN GLU 434 6.986 -2.644 6.761
9 HA GLU 434 HA GLU 434 7.459 -4.146 4.307
10 HB2 GLU 434 HB2 GLU 434 5.779 -4.749 6.743
11 HB3 GLU 434 HB1 GLU 434 5.844 -5.782 5.326
12 HG2 GLU 434 HG2 GLU 434 7.291 -6.712 6.951
13 HG3 GLU 434 HG1 GLU 434 8.306 -6.008 5.696
14 H TRP 435 HN TRP 435 5.465 -1.717 5.476
15 HA TRP 435 HA TRP 435 3.421 -2.294 3.443
16 HB2 TRP 435 HB2 TRP 435 3.099 -0.751 6.029
17 HB3 TRP 435 HB1 TRP 435 1.839 -1.003 4.829
18 HD1 TRP 435 HD1 TRP 435 2.729 -2.260 8.051
19 HE1 TRP 435 HE1 TRP 435 1.870 -4.657 8.446
20 HE3 TRP 435 HE3 TRP 435 1.709 -3.558 3.213
21 HZ2 TRP 435 HZ2 TRP 435 0.892 -6.802 6.909
22 HZ3 TRP 435 HZ3 TRP 435 0.824 -5.805 2.764
23 HH2 TRP 435 HH2 TRP 435 0.419 -7.391 4.571
24 H THR 436 HN THR 436 3.256 -0.799 1.826
25 HA THR 436 HA THR 436 4.772 1.684 2.120
26 HB THR 436 HB THR 436 3.591 0.367 -0.333
27 HG1 THR 436 HG1 THR 436 5.747 -0.215 0.927
28 HG21 THR 436 HG21 THR 436 4.819 2.086 -1.615
29 HG22 THR 436 HG22 THR 436 5.232 2.896 -0.102
30 HG23 THR 436 HG23 THR 436 3.546 2.784 -0.610
31 H GLU 437 HN GLU 437 3.596 3.284 2.992
32 HA GLU 437 HA GLU 437 0.820 3.676 2.181
33 HB2 GLU 437 HB2 GLU 437 2.447 5.606 3.831
34 HB3 GLU 437 HB1 GLU 437 0.705 5.386 3.814
35 HG2 GLU 437 HG2 GLU 437 2.568 3.262 4.820
36 HG3 GLU 437 HG1 GLU 437 1.987 4.567 5.847
37 H ARG 438 HN ARG 438 0.888 4.256 0.026
38 HA ARG 438 HA ARG 438 2.728 6.444 -0.657
39 HB2 ARG 438 HB2 ARG 438 3.454 4.454 -1.764
40 HB3 ARG 438 HB1 ARG 438 1.822 4.081 -2.299
41 HG2 ARG 438 HG2 ARG 438 1.839 5.915 -3.840
42 HG3 ARG 438 HG1 ARG 438 3.387 6.482 -3.213
43 HD2 ARG 438 HD2 ARG 438 3.016 3.769 -4.455
44 HD3 ARG 438 HD1 ARG 438 3.469 5.196 -5.386
45 HE ARG 438 HE ARG 438 5.114 4.409 -3.092
46 HH11 ARG 438 HH11 ARG 438 4.725 4.738 -6.559
47 HH12 ARG 438 HH12 ARG 438 6.434 4.607 -6.883
48 HH21 ARG 438 HH21 ARG 438 7.336 4.247 -3.505
49 HH22 ARG 438 HH22 ARG 438 7.917 4.377 -5.141
50 H LYS 439 HN LYS 439 1.910 8.131 -2.106
51 HA LYS 439 HA LYS 439 -1.010 8.225 -2.153
52 HB2 LYS 439 HB2 LYS 439 -0.691 10.678 -2.453
53 HB3 LYS 439 HB1 LYS 439 -0.017 10.062 -0.951
54 HG2 LYS 439 HG2 LYS 439 2.218 10.034 -2.013
55 HG3 LYS 439 HG1 LYS 439 1.509 10.777 -3.446
56 HD2 LYS 439 HD2 LYS 439 0.792 12.691 -2.069
57 HD3 LYS 439 HD1 LYS 439 1.569 11.953 -0.669
58 HE2 LYS 439 HE2 LYS 439 2.924 12.851 -3.207
59 HE3 LYS 439 HE1 LYS 439 3.008 13.649 -1.638
60 HZ1 LYS 439 HZ1 LYS 439 4.054 11.607 -0.758
61 HZ2 LYS 439 HZ2 LYS 439 4.978 12.364 -1.962
62 HZ3 LYS 439 HZ3 LYS 439 4.088 10.972 -2.334
63 H THR 440 HN THR 440 -1.975 7.851 -4.013
64 HA THR 440 HA THR 440 -0.484 8.111 -6.499
65 HB THR 440 HB THR 440 -1.931 6.129 -6.195
66 HG1 THR 440 HG1 THR 440 -1.587 6.772 -8.320
67 HG21 THR 440 HG21 THR 440 -4.355 6.334 -6.286
68 HG22 THR 440 HG22 THR 440 -4.219 8.093 -6.289
69 HG23 THR 440 HG23 THR 440 -3.716 7.173 -4.871
70 H ALA 441 HN ALA 441 -1.183 9.422 -8.240
71 HA ALA 441 HA ALA 441 -1.848 12.049 -7.450
72 HB1 ALA 441 HB1 ALA 441 -0.378 11.559 -9.331
73 HB2 ALA 441 HB2 ALA 441 -1.720 12.595 -9.817
74 HB3 ALA 441 HB3 ALA 441 -1.739 10.877 -10.222
75 H ASP 442 HN ASP 442 -3.860 9.457 -7.863
76 HA ASP 442 HA ASP 442 -6.126 10.871 -8.949
77 HB2 ASP 442 HB2 ASP 442 -5.793 8.400 -9.209
78 HB3 ASP 442 HB1 ASP 442 -6.072 8.222 -7.480
79 H GLY 443 HN GLY 443 -4.516 10.993 -6.086
80 HA2 GLY 443 HA2 GLY 443 -5.056 12.387 -4.294
81 HA3 GLY 443 HA1 GLY 443 -6.729 12.399 -4.829
82 H LYS 444 HN LYS 444 -4.717 9.566 -4.204
83 HA LYS 444 HA LYS 444 -6.270 8.991 -1.791
84 HB2 LYS 444 HB2 LYS 444 -6.042 7.081 -4.131
85 HB3 LYS 444 HB1 LYS 444 -6.678 6.659 -2.551
86 HG2 LYS 444 HG2 LYS 444 -8.516 8.194 -2.834
87 HG3 LYS 444 HG1 LYS 444 -7.851 8.747 -4.375
88 HD2 LYS 444 HD2 LYS 444 -8.124 6.505 -5.303
89 HD3 LYS 444 HD1 LYS 444 -8.768 5.939 -3.761
90 HE2 LYS 444 HE2 LYS 444 -10.522 6.438 -5.430
91 HE3 LYS 444 HE1 LYS 444 -10.665 7.396 -3.956
92 HZ1 LYS 444 HZ1 LYS 444 -11.004 8.741 -5.941
93 HZ2 LYS 444 HZ2 LYS 444 -9.454 8.331 -6.507
94 HZ3 LYS 444 HZ3 LYS 444 -9.628 9.246 -5.092
95 H THR 445 HN THR 445 -5.066 8.075 -0.228
96 HA THR 445 HA THR 445 -2.382 7.188 -0.887
97 HB THR 445 HB THR 445 -2.640 8.588 1.106
98 HG1 THR 445 HG1 THR 445 -1.307 7.371 2.355
99 HG21 THR 445 HG21 THR 445 -3.749 7.717 3.123
100 HG22 THR 445 HG22 THR 445 -4.320 6.327 2.201
101 HG23 THR 445 HG23 THR 445 -4.887 7.949 1.797
102 H TYR 446 HN TYR 446 -1.802 5.067 -1.040
103 HA TYR 446 HA TYR 446 -3.804 3.073 -0.247
104 HB2 TYR 446 HB2 TYR 446 -3.547 1.869 -2.302
105 HB3 TYR 446 HB1 TYR 446 -3.974 3.528 -2.686
106 HD1 TYR 446 HD1 TYR 446 -2.109 5.091 -3.473
107 HD2 TYR 446 HD2 TYR 446 -1.637 0.869 -3.198
108 HE1 TYR 446 HE1 TYR 446 -0.207 5.206 -5.030
109 HE2 TYR 446 HE2 TYR 446 0.265 0.976 -4.750
110 HH TYR 446 HH TYR 446 1.181 2.377 -6.444
111 H TYR 447 HN TYR 447 -2.994 1.025 0.241
112 HA TYR 447 HA TYR 447 -0.203 1.178 1.096
113 HB2 TYR 447 HB2 TYR 447 -2.098 -0.861 2.182
114 HB3 TYR 447 HB1 TYR 447 -0.769 -0.026 2.984
115 HD1 TYR 447 HD1 TYR 447 -1.176 2.653 3.128
116 HD2 TYR 447 HD2 TYR 447 -4.224 -0.303 2.858
117 HE1 TYR 447 HE1 TYR 447 -2.791 4.235 4.094
118 HE2 TYR 447 HE2 TYR 447 -5.843 1.268 3.824
119 HH TYR 447 HH TYR 447 -5.858 3.272 5.213
120 H TYR 448 HN TYR 448 0.895 0.343 -0.624
121 HA TYR 448 HA TYR 448 0.056 -2.158 -1.775
122 HB2 TYR 448 HB2 TYR 448 1.029 -0.452 -3.229
123 HB3 TYR 448 HB1 TYR 448 2.519 -0.478 -2.288
124 HD1 TYR 448 HD1 TYR 448 0.325 -2.759 -4.273
125 HD2 TYR 448 HD2 TYR 448 4.272 -1.824 -2.989
126 HE1 TYR 448 HE1 TYR 448 1.212 -4.546 -5.711
127 HE2 TYR 448 HE2 TYR 448 5.167 -3.609 -4.423
128 HH TYR 448 HH TYR 448 3.215 -5.241 -6.774
129 H ASN 449 HN ASN 449 0.835 -4.092 -1.346
130 HA ASN 449 HA ASN 449 2.521 -4.446 0.991
131 HB2 ASN 449 HB2 ASN 449 0.369 -5.629 0.804
132 HB3 ASN 449 HB1 ASN 449 0.888 -6.359 -0.705
133 HD21 ASN 449 HD21 ASN 449 -0.078 -7.701 1.560
134 HD22 ASN 449 HD22 ASN 449 1.186 -8.723 2.148
135 H ASN 450 HN ASN 450 4.645 -4.677 0.700
136 HA ASN 450 HA ASN 450 5.642 -5.452 -1.939
137 HB2 ASN 450 HB2 ASN 450 6.429 -3.341 -0.773
138 HB3 ASN 450 HB1 ASN 450 7.226 -4.377 0.404
139 HD21 ASN 450 HD21 ASN 450 7.004 -5.109 -3.017
140 HD22 ASN 450 HD22 ASN 450 8.687 -4.922 -3.353
141 H ARG 451 HN ARG 451 4.834 -6.919 0.860
142 HA ARG 451 HA ARG 451 7.099 -8.637 1.246
143 HB2 ARG 451 HB2 ARG 451 4.273 -9.082 2.214
144 HB3 ARG 451 HB1 ARG 451 5.733 -9.829 2.842
145 HG2 ARG 451 HG2 ARG 451 6.499 -7.580 3.570
146 HG3 ARG 451 HG1 ARG 451 4.937 -6.936 3.066
147 HD2 ARG 451 HD2 ARG 451 5.438 -9.024 5.184
148 HD3 ARG 451 HD1 ARG 451 4.892 -7.368 5.440
149 HE ARG 451 HE ARG 451 2.982 -8.399 3.826
150 HH11 ARG 451 HH11 ARG 451 4.389 -9.422 6.863
151 HH12 ARG 451 HH12 ARG 451 2.964 -10.261 7.390
152 HH21 ARG 451 HH21 ARG 451 1.071 -9.490 4.532
153 HH22 ARG 451 HH22 ARG 451 1.072 -10.283 6.080
154 H THR 452 HN THR 452 3.841 -9.080 -0.092
155 HA THR 452 HA THR 452 4.820 -11.506 -1.449
156 HB THR 452 HB THR 452 3.215 -12.093 0.298
157 HG1 THR 452 HG1 THR 452 2.218 -12.348 -2.368
158 HG21 THR 452 HG21 THR 452 0.877 -11.374 0.165
159 HG22 THR 452 HG22 THR 452 1.273 -10.321 -1.194
160 HG23 THR 452 HG23 THR 452 1.957 -9.999 0.400
161 H LEU 453 HN LEU 453 4.052 -8.417 -2.016
162 HA LEU 453 HA LEU 453 3.408 -7.180 -3.794
163 HB2 LEU 453 HB2 LEU 453 3.312 -9.750 -5.373
164 HB3 LEU 453 HB1 LEU 453 3.357 -8.122 -6.025
165 HG LEU 453 HG LEU 453 5.578 -9.561 -4.572
166 HD11 LEU 453 HD11 LEU 453 5.244 -10.217 -6.900
167 HD12 LEU 453 HD12 LEU 453 6.759 -9.341 -6.682
168 HD13 LEU 453 HD13 LEU 453 5.364 -8.528 -7.393
169 HD21 LEU 453 HD21 LEU 453 5.576 -7.227 -3.896
170 HD22 LEU 453 HD22 LEU 453 5.486 -6.719 -5.581
171 HD23 LEU 453 HD23 LEU 453 6.925 -7.547 -4.986
172 H GLU 454 HN GLU 454 1.535 -6.824 -2.555
173 HA GLU 454 HA GLU 454 -0.920 -8.025 -3.634
174 HB2 GLU 454 HB2 GLU 454 -0.404 -9.262 -1.616
175 HB3 GLU 454 HB1 GLU 454 -0.107 -7.778 -0.729
176 HG2 GLU 454 HG2 GLU 454 -2.499 -7.209 -0.952
177 HG3 GLU 454 HG1 GLU 454 -2.758 -8.760 -1.750
178 H SER 455 HN SER 455 -2.747 -6.619 -3.516
179 HA SER 455 HA SER 455 -2.034 -3.821 -2.956
180 HB2 SER 455 HB2 SER 455 -2.966 -4.532 -5.231
181 HB3 SER 455 HB1 SER 455 -4.503 -4.787 -4.408
182 HG SER 455 HG SER 455 -3.296 -2.460 -5.189
183 H THR 456 HN THR 456 -2.582 -3.141 -0.979
184 HA THR 456 HA THR 456 -4.981 -4.304 0.279
185 HB THR 456 HB THR 456 -2.530 -3.341 1.755
186 HG1 THR 456 HG1 THR 456 -2.557 -5.926 1.904
187 HG21 THR 456 HG21 THR 456 -4.577 -3.453 3.083
188 HG22 THR 456 HG22 THR 456 -3.448 -4.714 3.577
189 HG23 THR 456 HG23 THR 456 -4.833 -5.119 2.565
190 H TRP 457 HN TRP 457 -6.548 -2.861 0.620
191 HA TRP 457 HA TRP 457 -5.755 -0.034 0.894
192 HB2 TRP 457 HB2 TRP 457 -8.220 -1.211 -0.418
193 HB3 TRP 457 HB1 TRP 457 -7.960 0.519 -0.155
194 HD1 TRP 457 HD1 TRP 457 -5.988 -2.392 -1.798
195 HE1 TRP 457 HE1 TRP 457 -4.764 -1.499 -3.864
196 HE3 TRP 457 HE3 TRP 457 -7.509 2.500 -1.586
197 HZ2 TRP 457 HZ2 TRP 457 -4.461 0.930 -5.211
198 HZ3 TRP 457 HZ3 TRP 457 -6.710 4.045 -3.339
199 HH2 TRP 457 HH2 TRP 457 -5.235 3.270 -5.123
200 H GLU 458 HN GLU 458 -6.707 -2.513 2.666
201 HA GLU 458 HA GLU 458 -8.090 -0.775 4.607
202 HB2 GLU 458 HB2 GLU 458 -7.979 -3.799 4.437
203 HB3 GLU 458 HB1 GLU 458 -8.673 -2.913 5.783
204 HG2 GLU 458 HG2 GLU 458 -10.500 -3.547 4.508
205 HG3 GLU 458 HG1 GLU 458 -10.234 -1.863 4.068
206 H LYS 459 HN LYS 459 -6.949 -0.258 6.453
207 HA LYS 459 HA LYS 459 -4.210 -1.120 6.594
208 HB2 LYS 459 HB2 LYS 459 -5.832 0.595 8.476
209 HB3 LYS 459 HB1 LYS 459 -4.119 0.257 8.679
210 HG2 LYS 459 HG2 LYS 459 -3.886 1.208 6.295
211 HG3 LYS 459 HG1 LYS 459 -5.483 1.897 6.587
212 HD2 LYS 459 HD2 LYS 459 -3.859 3.545 7.173
213 HD3 LYS 459 HD1 LYS 459 -4.566 2.934 8.670
214 HE2 LYS 459 HE2 LYS 459 -2.131 3.175 8.848
215 HE3 LYS 459 HE1 LYS 459 -2.633 1.493 9.015
216 HZ1 LYS 459 HZ1 LYS 459 -1.371 2.777 6.644
217 HZ2 LYS 459 HZ2 LYS 459 -2.088 1.246 6.595
218 HZ3 LYS 459 HZ3 LYS 459 -0.757 1.512 7.599
219 HA PRO 460 HA PRO 460 -5.094 -4.727 9.093
220 HB2 PRO 460 HB2 PRO 460 -2.470 -5.361 9.530
221 HB3 PRO 460 HB1 PRO 460 -3.346 -5.786 8.056
222 HG2 PRO 460 HG2 PRO 460 -1.460 -3.519 8.554
223 HG3 PRO 460 HG1 PRO 460 -1.604 -4.565 7.129
224 HD2 PRO 460 HD2 PRO 460 -2.629 -2.068 7.196
225 HD3 PRO 460 HD1 PRO 460 -3.398 -3.385 6.288
Start of MODEL 17
1 H1 SER 433 HT1 SER 433 7.921 -3.213 8.035
2 H2 SER 433 HT2 SER 433 6.458 -2.353 8.100
3 H3 SER 433 HT3 SER 433 7.781 -1.845 9.023
4 HA SER 433 HA SER 433 7.415 -0.468 7.044
5 HB2 SER 433 HB2 SER 433 10.000 -2.041 6.975
6 HB3 SER 433 HB1 SER 433 9.754 -0.365 6.481
7 HG SER 433 HG SER 433 9.611 0.260 8.555
8 H GLU 434 HN GLU 434 6.415 -3.358 6.525
9 HA GLU 434 HA GLU 434 7.458 -3.905 3.871
10 HB2 GLU 434 HB2 GLU 434 6.102 -5.930 3.979
11 HB3 GLU 434 HB1 GLU 434 7.080 -5.759 5.425
12 HG2 GLU 434 HG2 GLU 434 4.211 -4.896 5.337
13 HG3 GLU 434 HG1 GLU 434 4.689 -6.547 5.722
14 H TRP 435 HN TRP 435 5.141 -1.935 5.114
15 HA TRP 435 HA TRP 435 3.330 -2.239 2.830
16 HB2 TRP 435 HB2 TRP 435 2.914 -0.544 5.299
17 HB3 TRP 435 HB1 TRP 435 1.713 -0.982 4.094
18 HD1 TRP 435 HD1 TRP 435 2.318 -1.730 7.472
19 HE1 TRP 435 HE1 TRP 435 1.556 -4.095 8.158
20 HE3 TRP 435 HE3 TRP 435 1.984 -3.848 2.831
21 HZ2 TRP 435 HZ2 TRP 435 0.920 -6.532 6.895
22 HZ3 TRP 435 HZ3 TRP 435 1.330 -6.213 2.662
23 HH2 TRP 435 HH2 TRP 435 0.786 -7.519 4.647
24 H THR 436 HN THR 436 3.658 -0.840 1.153
25 HA THR 436 HA THR 436 5.069 1.660 1.665
26 HB THR 436 HB THR 436 4.183 0.381 -0.929
27 HG1 THR 436 HG1 THR 436 6.549 0.417 0.578
28 HG21 THR 436 HG21 THR 436 5.814 2.890 -0.490
29 HG22 THR 436 HG22 THR 436 4.169 2.830 -1.125
30 HG23 THR 436 HG23 THR 436 5.499 2.127 -2.047
31 H GLU 437 HN GLU 437 3.708 3.122 2.565
32 HA GLU 437 HA GLU 437 1.060 3.522 1.423
33 HB2 GLU 437 HB2 GLU 437 2.193 5.424 3.423
34 HB3 GLU 437 HB1 GLU 437 0.552 4.813 3.267
35 HG2 GLU 437 HG2 GLU 437 1.079 3.654 5.102
36 HG3 GLU 437 HG1 GLU 437 1.858 2.555 3.963
37 H ARG 438 HN ARG 438 1.220 4.445 -0.552
38 HA ARG 438 HA ARG 438 3.050 6.717 -0.809
39 HB2 ARG 438 HB2 ARG 438 3.588 4.925 -2.335
40 HB3 ARG 438 HB1 ARG 438 1.929 4.867 -2.917
41 HG2 ARG 438 HG2 ARG 438 2.148 6.961 -4.013
42 HG3 ARG 438 HG1 ARG 438 3.694 7.283 -3.229
43 HD2 ARG 438 HD2 ARG 438 3.195 5.012 -5.144
44 HD3 ARG 438 HD1 ARG 438 3.883 6.570 -5.603
45 HE ARG 438 HE ARG 438 5.563 5.857 -3.684
46 HH11 ARG 438 HH11 ARG 438 4.219 3.898 -6.253
47 HH12 ARG 438 HH12 ARG 438 5.642 2.906 -6.414
48 HH21 ARG 438 HH21 ARG 438 7.418 4.561 -3.871
49 HH22 ARG 438 HH22 ARG 438 7.466 3.285 -5.057
50 H LYS 439 HN LYS 439 2.189 8.774 -1.589
51 HA LYS 439 HA LYS 439 -0.703 8.946 -1.481
52 HB2 LYS 439 HB2 LYS 439 0.544 10.554 -0.162
53 HB3 LYS 439 HB1 LYS 439 1.463 11.055 -1.572
54 HG2 LYS 439 HG2 LYS 439 -0.590 11.938 -2.582
55 HG3 LYS 439 HG1 LYS 439 -1.490 11.463 -1.139
56 HD2 LYS 439 HD2 LYS 439 -0.186 12.971 0.223
57 HD3 LYS 439 HD1 LYS 439 0.856 13.364 -1.144
58 HE2 LYS 439 HE2 LYS 439 -0.770 15.134 -0.760
59 HE3 LYS 439 HE1 LYS 439 -1.046 14.352 -2.316
60 HZ1 LYS 439 HZ1 LYS 439 -2.850 13.093 -1.347
61 HZ2 LYS 439 HZ2 LYS 439 -3.109 14.750 -1.103
62 HZ3 LYS 439 HZ3 LYS 439 -2.562 13.782 0.178
63 H THR 440 HN THR 440 -1.511 8.246 -3.387
64 HA THR 440 HA THR 440 -0.441 9.260 -5.888
65 HB THR 440 HB THR 440 -2.966 7.907 -6.187
66 HG1 THR 440 HG1 THR 440 -2.590 6.860 -4.257
67 HG21 THR 440 HG21 THR 440 -0.134 7.125 -6.895
68 HG22 THR 440 HG22 THR 440 -1.264 8.010 -7.919
69 HG23 THR 440 HG23 THR 440 -1.590 6.329 -7.493
70 H ALA 441 HN ALA 441 -1.440 10.738 -7.207
71 HA ALA 441 HA ALA 441 -3.082 12.670 -5.897
72 HB1 ALA 441 HB1 ALA 441 -2.955 13.902 -7.990
73 HB2 ALA 441 HB2 ALA 441 -2.288 12.484 -8.798
74 HB3 ALA 441 HB3 ALA 441 -1.369 13.289 -7.526
75 H ASP 442 HN ASP 442 -3.861 9.797 -7.299
76 HA ASP 442 HA ASP 442 -6.316 10.405 -8.592
77 HB2 ASP 442 HB2 ASP 442 -4.943 8.286 -8.826
78 HB3 ASP 442 HB1 ASP 442 -5.554 7.800 -7.251
79 H GLY 443 HN GLY 443 -5.443 10.816 -5.463
80 HA2 GLY 443 HA2 GLY 443 -6.829 11.620 -3.754
81 HA3 GLY 443 HA1 GLY 443 -8.217 10.928 -4.586
82 H LYS 444 HN LYS 444 -5.344 9.060 -4.057
83 HA LYS 444 HA LYS 444 -6.611 7.598 -1.862
84 HB2 LYS 444 HB2 LYS 444 -5.670 6.297 -4.429
85 HB3 LYS 444 HB1 LYS 444 -6.258 5.451 -3.006
86 HG2 LYS 444 HG2 LYS 444 -8.461 6.175 -3.345
87 HG3 LYS 444 HG1 LYS 444 -7.961 7.431 -4.479
88 HD2 LYS 444 HD2 LYS 444 -7.201 5.638 -6.028
89 HD3 LYS 444 HD1 LYS 444 -7.887 4.450 -4.917
90 HE2 LYS 444 HE2 LYS 444 -10.087 5.244 -5.277
91 HE3 LYS 444 HE1 LYS 444 -9.505 6.699 -6.086
92 HZ1 LYS 444 HZ1 LYS 444 -10.338 5.129 -7.692
93 HZ2 LYS 444 HZ2 LYS 444 -9.297 3.918 -7.120
94 HZ3 LYS 444 HZ3 LYS 444 -8.663 5.295 -7.881
95 H THR 445 HN THR 445 -5.136 7.196 -0.342
96 HA THR 445 HA THR 445 -2.299 7.049 -1.074
97 HB THR 445 HB THR 445 -3.535 6.911 1.687
98 HG1 THR 445 HG1 THR 445 -3.727 8.944 0.246
99 HG21 THR 445 HG21 THR 445 -0.711 7.520 0.793
100 HG22 THR 445 HG22 THR 445 -1.254 6.019 1.539
101 HG23 THR 445 HG23 THR 445 -1.291 7.521 2.458
102 H TYR 446 HN TYR 446 -1.901 5.047 -1.926
103 HA TYR 446 HA TYR 446 -3.401 2.783 -0.873
104 HB2 TYR 446 HB2 TYR 446 -2.693 1.552 -2.792
105 HB3 TYR 446 HB1 TYR 446 -3.227 3.134 -3.333
106 HD1 TYR 446 HD2 TYR 446 -0.304 0.955 -2.826
107 HD2 TYR 446 HD1 TYR 446 -1.703 4.636 -4.432
108 HE1 TYR 446 HE2 TYR 446 1.797 1.203 -4.075
109 HE2 TYR 446 HE1 TYR 446 0.391 4.885 -5.695
110 HH TYR 446 HH TYR 446 2.645 2.317 -6.020
111 H TYR 447 HN TYR 447 -2.448 0.874 -0.161
112 HA TYR 447 HA TYR 447 0.315 1.193 0.794
113 HB2 TYR 447 HB2 TYR 447 -1.674 -0.625 2.129
114 HB3 TYR 447 HB1 TYR 447 -0.244 0.147 2.812
115 HD1 TYR 447 HD1 TYR 447 -0.317 2.704 3.124
116 HD2 TYR 447 HD2 TYR 447 -3.784 0.354 2.381
117 HE1 TYR 447 HE1 TYR 447 -1.724 4.541 3.940
118 HE2 TYR 447 HE2 TYR 447 -5.203 2.182 3.207
119 HH TYR 447 HH TYR 447 -3.994 5.344 3.718
120 H TYR 448 HN TYR 448 1.333 0.186 -0.883
121 HA TYR 448 HA TYR 448 0.431 -2.401 -1.804
122 HB2 TYR 448 HB2 TYR 448 1.202 -0.841 -3.461
123 HB3 TYR 448 HB1 TYR 448 2.726 -0.615 -2.617
124 HD1 TYR 448 HD1 TYR 448 0.717 -3.132 -4.484
125 HD2 TYR 448 HD2 TYR 448 4.573 -1.958 -3.127
126 HE1 TYR 448 HE1 TYR 448 1.735 -4.888 -5.870
127 HE2 TYR 448 HE2 TYR 448 5.602 -3.709 -4.509
128 HH TYR 448 HH TYR 448 4.967 -5.850 -5.540
129 H ASN 449 HN ASN 449 1.199 -4.293 -1.169
130 HA ASN 449 HA ASN 449 3.316 -4.436 0.810
131 HB2 ASN 449 HB2 ASN 449 1.436 -5.737 1.382
132 HB3 ASN 449 HB1 ASN 449 1.250 -6.347 -0.259
133 HD21 ASN 449 HD21 ASN 449 2.996 -6.668 2.736
134 HD22 ASN 449 HD22 ASN 449 3.679 -8.219 2.388
135 H ASN 450 HN ASN 450 5.302 -5.198 0.441
136 HA ASN 450 HA ASN 450 5.906 -6.144 -2.274
137 HB2 ASN 450 HB2 ASN 450 8.241 -5.457 -1.802
138 HB3 ASN 450 HB1 ASN 450 7.110 -4.116 -1.694
139 HD21 ASN 450 HD21 ASN 450 8.472 -2.903 -0.410
140 HD22 ASN 450 HD22 ASN 450 8.785 -3.296 1.249
141 H ARG 451 HN ARG 451 5.187 -7.447 0.574
142 HA ARG 451 HA ARG 451 7.435 -9.244 0.797
143 HB2 ARG 451 HB2 ARG 451 4.920 -9.025 2.422
144 HB3 ARG 451 HB1 ARG 451 6.151 -10.245 2.704
145 HG2 ARG 451 HG2 ARG 451 6.564 -7.265 2.870
146 HG3 ARG 451 HG1 ARG 451 6.368 -8.360 4.237
147 HD2 ARG 451 HD2 ARG 451 8.692 -7.971 4.030
148 HD3 ARG 451 HD1 ARG 451 8.408 -9.589 3.391
149 HE ARG 451 HE ARG 451 8.411 -7.466 1.422
150 HH11 ARG 451 HH11 ARG 451 10.372 -9.812 3.153
151 HH12 ARG 451 HH12 ARG 451 11.551 -9.949 1.875
152 HH21 ARG 451 HH21 ARG 451 9.974 -7.638 -0.242
153 HH22 ARG 451 HH22 ARG 451 11.335 -8.695 -0.036
154 H THR 452 HN THR 452 3.973 -9.574 0.140
155 HA THR 452 HA THR 452 4.562 -12.157 -1.152
156 HB THR 452 HB THR 452 2.008 -12.519 -0.704
157 HG1 THR 452 HG1 THR 452 1.104 -11.190 0.699
158 HG21 THR 452 HG21 THR 452 3.787 -13.889 0.262
159 HG22 THR 452 HG22 THR 452 2.524 -13.567 1.452
160 HG23 THR 452 HG23 THR 452 4.045 -12.678 1.518
161 H LEU 453 HN LEU 453 3.923 -9.052 -1.751
162 HA LEU 453 HA LEU 453 3.267 -7.859 -3.545
163 HB2 LEU 453 HB2 LEU 453 2.861 -10.509 -4.934
164 HB3 LEU 453 HB1 LEU 453 2.902 -8.936 -5.705
165 HG LEU 453 HG LEU 453 5.218 -10.272 -4.303
166 HD11 LEU 453 HD11 LEU 453 4.671 -11.317 -6.428
167 HD12 LEU 453 HD12 LEU 453 6.187 -10.421 -6.540
168 HD13 LEU 453 HD13 LEU 453 4.708 -9.744 -7.225
169 HD21 LEU 453 HD21 LEU 453 6.548 -8.404 -5.171
170 HD22 LEU 453 HD22 LEU 453 5.309 -7.856 -4.044
171 HD23 LEU 453 HD23 LEU 453 5.079 -7.646 -5.780
172 H GLU 454 HN GLU 454 1.540 -7.322 -2.126
173 HA GLU 454 HA GLU 454 -1.068 -8.184 -3.164
174 HB2 GLU 454 HB2 GLU 454 -0.655 -9.351 -1.029
175 HB3 GLU 454 HB1 GLU 454 -0.349 -7.805 -0.244
176 HG2 GLU 454 HG2 GLU 454 -2.684 -7.137 -0.838
177 HG3 GLU 454 HG1 GLU 454 -2.946 -8.785 -1.393
178 H SER 455 HN SER 455 -2.504 -6.504 -3.453
179 HA SER 455 HA SER 455 -1.549 -3.840 -2.742
180 HB2 SER 455 HB2 SER 455 -3.445 -3.071 -4.196
181 HB3 SER 455 HB1 SER 455 -2.260 -4.075 -5.033
182 HG SER 455 HG SER 455 -4.630 -5.120 -3.890
183 H THR 456 HN THR 456 -2.024 -3.374 -0.673
184 HA THR 456 HA THR 456 -4.637 -4.155 0.402
185 HB THR 456 HB THR 456 -2.383 -2.957 1.999
186 HG1 THR 456 HG1 THR 456 -2.706 -5.767 1.630
187 HG21 THR 456 HG21 THR 456 -4.566 -3.192 3.082
188 HG22 THR 456 HG22 THR 456 -3.380 -4.272 3.810
189 HG23 THR 456 HG23 THR 456 -4.583 -4.909 2.688
190 H TRP 457 HN TRP 457 -6.197 -2.652 0.339
191 HA TRP 457 HA TRP 457 -5.364 0.168 0.284
192 HB2 TRP 457 HB2 TRP 457 -7.761 -1.175 -0.983
193 HB3 TRP 457 HB1 TRP 457 -7.506 0.572 -0.961
194 HD1 TRP 457 HD1 TRP 457 -5.640 -2.600 -2.189
195 HE1 TRP 457 HE1 TRP 457 -4.286 -1.982 -4.281
196 HE3 TRP 457 HE3 TRP 457 -6.744 2.389 -2.435
197 HZ2 TRP 457 HZ2 TRP 457 -3.728 0.300 -5.811
198 HZ3 TRP 457 HZ3 TRP 457 -5.772 3.711 -4.266
199 HH2 TRP 457 HH2 TRP 457 -4.303 2.689 -5.927
200 H GLU 458 HN GLU 458 -6.418 -1.954 2.378
201 HA GLU 458 HA GLU 458 -8.032 0.015 3.848
202 HB2 GLU 458 HB2 GLU 458 -8.958 -1.972 5.098
203 HB3 GLU 458 HB1 GLU 458 -9.450 -1.859 3.417
204 HG2 GLU 458 HG2 GLU 458 -7.742 -3.533 2.831
205 HG3 GLU 458 HG1 GLU 458 -7.325 -3.674 4.538
206 H LYS 459 HN LYS 459 -7.306 0.581 5.861
207 HA LYS 459 HA LYS 459 -4.574 -0.120 6.423
208 HB2 LYS 459 HB2 LYS 459 -6.510 1.712 7.825
209 HB3 LYS 459 HB1 LYS 459 -4.850 1.465 8.352
210 HG2 LYS 459 HG2 LYS 459 -4.200 2.151 5.974
211 HG3 LYS 459 HG1 LYS 459 -5.852 2.754 5.846
212 HD2 LYS 459 HD2 LYS 459 -4.266 4.511 6.506
213 HD3 LYS 459 HD1 LYS 459 -5.486 4.221 7.752
214 HE2 LYS 459 HE2 LYS 459 -3.907 2.887 9.020
215 HE3 LYS 459 HE1 LYS 459 -2.702 3.059 7.746
216 HZ1 LYS 459 HZ1 LYS 459 -2.696 5.459 8.161
217 HZ2 LYS 459 HZ2 LYS 459 -2.242 4.573 9.530
218 HZ3 LYS 459 HZ3 LYS 459 -3.793 5.244 9.440
219 HA PRO 460 HA PRO 460 -5.509 -3.502 9.315
220 HB2 PRO 460 HB2 PRO 460 -2.696 -2.856 10.034
221 HB3 PRO 460 HB1 PRO 460 -3.437 -4.421 9.688
222 HG2 PRO 460 HG2 PRO 460 -1.835 -3.197 7.921
223 HG3 PRO 460 HG1 PRO 460 -3.228 -4.167 7.409
224 HD2 PRO 460 HD2 PRO 460 -2.882 -1.214 7.450
225 HD3 PRO 460 HD1 PRO 460 -3.846 -2.236 6.362