Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567180 | 2me3 RC | 19514 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 657 HT1 GLU 657 13.867 -6.419 3.489
2 H2 GLU 657 HT2 GLU 657 13.238 -4.977 2.847
3 H3 GLU 657 HT3 GLU 657 12.590 -5.628 4.276
4 HA GLU 657 HA GLU 657 14.106 -3.687 4.640
5 HB2 GLU 657 HB2 GLU 657 14.094 -6.402 5.794
6 HB3 GLU 657 HB1 GLU 657 15.503 -5.441 6.241
7 HG2 GLU 657 HG2 GLU 657 12.725 -4.283 6.409
8 HG3 GLU 657 HG1 GLU 657 13.390 -5.246 7.730
9 H LYS 658 HN LYS 658 15.056 -4.287 2.084
10 HA LYS 658 HA LYS 658 17.959 -4.082 2.491
11 HB2 LYS 658 HB2 LYS 658 17.181 -6.567 2.489
12 HB3 LYS 658 HB1 LYS 658 16.935 -6.330 0.758
13 HG2 LYS 658 HG2 LYS 658 19.142 -7.087 0.813
14 HG3 LYS 658 HG1 LYS 658 19.368 -5.337 0.834
15 HD2 LYS 658 HD2 LYS 658 19.431 -5.452 3.351
16 HD3 LYS 658 HD1 LYS 658 19.427 -7.211 3.214
17 HE2 LYS 658 HE2 LYS 658 21.567 -7.271 2.243
18 HE3 LYS 658 HE1 LYS 658 21.474 -5.580 1.710
19 HZ1 LYS 658 HZ1 LYS 658 22.839 -5.782 3.702
20 HZ2 LYS 658 HZ2 LYS 658 21.546 -6.504 4.536
21 HZ3 LYS 658 HZ3 LYS 658 21.435 -4.887 4.026
22 H ASP 659 HN ASP 659 16.329 -2.150 1.431
23 HA ASP 659 HA ASP 659 15.814 -2.242 -1.373
24 HB2 ASP 659 HB2 ASP 659 15.383 -0.523 0.691
25 HB3 ASP 659 HB1 ASP 659 16.689 0.317 -0.146
26 H LEU 660 HN LEU 660 17.125 -0.372 -2.738
27 HA LEU 660 HA LEU 660 19.774 -1.483 -3.158
28 HB2 LEU 660 HB2 LEU 660 18.437 0.993 -4.287
29 HB3 LEU 660 HB1 LEU 660 19.816 0.152 -4.987
30 HG LEU 660 HG LEU 660 18.128 -0.773 -6.250
31 HD11 LEU 660 HD11 LEU 660 17.709 -2.571 -3.871
32 HD12 LEU 660 HD12 LEU 660 19.241 -2.552 -4.744
33 HD13 LEU 660 HD13 LEU 660 17.755 -3.002 -5.581
34 HD21 LEU 660 HD21 LEU 660 16.074 -1.223 -4.196
35 HD22 LEU 660 HD22 LEU 660 15.922 -0.524 -5.808
36 HD23 LEU 660 HD23 LEU 660 16.466 0.476 -4.462
37 H LEU 661 HN LEU 661 18.459 1.432 -1.719
38 HA LEU 661 HA LEU 661 21.109 2.620 -1.252
39 HB2 LEU 661 HB2 LEU 661 18.231 3.311 -0.765
40 HB3 LEU 661 HB1 LEU 661 19.514 4.271 -0.037
41 HG LEU 661 HG LEU 661 18.467 4.669 -2.537
42 HD11 LEU 661 HD11 LEU 661 21.317 5.352 -1.817
43 HD12 LEU 661 HD12 LEU 661 19.938 6.126 -1.038
44 HD13 LEU 661 HD13 LEU 661 20.184 6.305 -2.775
45 HD21 LEU 661 HD21 LEU 661 19.550 2.632 -3.435
46 HD22 LEU 661 HD22 LEU 661 21.120 3.253 -2.925
47 HD23 LEU 661 HD23 LEU 661 20.203 4.091 -4.173
48 H ALA 662 HN ALA 662 20.136 0.020 0.114
49 HA ALA 662 HA ALA 662 19.665 0.478 2.875
50 HB1 ALA 662 HB1 ALA 662 21.219 -1.807 1.629
51 HB2 ALA 662 HB2 ALA 662 19.468 -1.658 1.479
52 HB3 ALA 662 HB3 ALA 662 20.203 -1.858 3.070
53 H LEU 663 HN LEU 663 21.031 1.924 3.863
54 HA LEU 663 HA LEU 663 23.769 2.384 3.398
55 HB2 LEU 663 HB2 LEU 663 22.011 2.586 5.852
56 HB3 LEU 663 HB1 LEU 663 23.675 3.172 5.844
57 HG LEU 663 HG LEU 663 21.659 4.026 3.760
58 HD11 LEU 663 HD11 LEU 663 21.601 6.168 5.189
59 HD12 LEU 663 HD12 LEU 663 22.243 5.171 6.494
60 HD13 LEU 663 HD13 LEU 663 20.676 4.790 5.783
61 HD21 LEU 663 HD21 LEU 663 24.400 4.904 4.657
62 HD22 LEU 663 HD22 LEU 663 23.330 6.028 3.819
63 HD23 LEU 663 HD23 LEU 663 23.838 4.537 3.026
64 H ASP 664 HN ASP 664 22.222 -0.243 5.078
65 HA ASP 664 HA ASP 664 24.529 -1.164 6.576
66 HB2 ASP 664 HB2 ASP 664 21.871 -2.267 5.677
67 HB3 ASP 664 HB1 ASP 664 23.047 -3.331 6.449
68 H SER 665 HN SER 665 23.319 -1.592 3.305
69 HA SER 665 HA SER 665 25.311 -3.697 2.689
70 HB2 SER 665 HB2 SER 665 22.889 -3.700 1.931
71 HB3 SER 665 HB1 SER 665 23.280 -2.317 0.913
72 HG SER 665 HG SER 665 23.441 -4.552 -0.003
73 H TRP 666 HN TRP 666 24.766 -0.289 2.274
74 HA TRP 666 HA TRP 666 26.680 0.174 0.117
75 HB2 TRP 666 HB2 TRP 666 24.978 1.704 2.010
76 HB3 TRP 666 HB1 TRP 666 26.351 2.551 1.326
77 HD1 TRP 666 HD1 TRP 666 23.089 0.810 0.285
78 HE1 TRP 666 HE1 TRP 666 22.536 1.563 -2.128
79 HE3 TRP 666 HE3 TRP 666 27.295 3.390 -0.740
80 HZ2 TRP 666 HZ2 TRP 666 23.772 3.091 -4.236
81 HZ3 TRP 666 HZ3 TRP 666 27.628 4.500 -2.955
82 HH2 TRP 666 HH2 TRP 666 25.865 4.351 -4.698
83 H LYS 667 HN LYS 667 26.771 0.194 3.654
84 HA LYS 667 HA LYS 667 29.134 1.560 4.206
85 HB2 LYS 667 HB2 LYS 667 27.594 -0.681 5.363
86 HB3 LYS 667 HB1 LYS 667 29.282 -0.638 5.874
87 HG2 LYS 667 HG2 LYS 667 28.766 1.946 6.200
88 HG3 LYS 667 HG1 LYS 667 27.107 1.363 6.347
89 HD2 LYS 667 HD2 LYS 667 27.649 -0.027 8.203
90 HD3 LYS 667 HD1 LYS 667 29.381 0.137 7.915
91 HE2 LYS 667 HE2 LYS 667 28.646 2.766 8.218
92 HE3 LYS 667 HE1 LYS 667 27.549 1.952 9.351
93 HZ1 LYS 667 HZ1 LYS 667 29.425 0.741 10.262
94 HZ2 LYS 667 HZ2 LYS 667 29.701 2.413 10.383
95 HZ3 LYS 667 HZ3 LYS 667 30.483 1.505 9.179
96 H ASN 668 HN ASN 668 28.788 -1.591 2.683
97 HA ASN 668 HA ASN 668 31.564 -2.415 2.873
98 HB2 ASN 668 HB2 ASN 668 29.134 -3.105 1.229
99 HB3 ASN 668 HB1 ASN 668 30.703 -3.781 0.788
100 HD21 ASN 668 HD21 ASN 668 28.035 -4.705 2.384
101 HD22 ASN 668 HD22 ASN 668 28.711 -5.644 3.626
102 H LEU 669 HN LEU 669 29.696 -0.642 0.390
103 HA LEU 669 HA LEU 669 31.902 -0.379 -1.475
104 HB2 LEU 669 HB2 LEU 669 29.235 -0.051 -1.564
105 HB3 LEU 669 HB1 LEU 669 29.709 1.630 -1.314
106 HG LEU 669 HG LEU 669 31.336 0.189 -3.311
107 HD11 LEU 669 HD11 LEU 669 29.011 -0.733 -3.674
108 HD12 LEU 669 HD12 LEU 669 29.664 0.164 -5.045
109 HD13 LEU 669 HD13 LEU 669 28.475 0.918 -3.983
110 HD21 LEU 669 HD21 LEU 669 31.146 2.298 -4.479
111 HD22 LEU 669 HD22 LEU 669 31.406 2.656 -2.772
112 HD23 LEU 669 HD23 LEU 669 29.791 2.793 -3.465
113 H TRP 670 HN TRP 670 30.621 1.726 1.149
114 HA TRP 670 HA TRP 670 32.327 3.949 0.556
115 HB2 TRP 670 HB2 TRP 670 30.864 2.936 3.000
116 HB3 TRP 670 HB1 TRP 670 31.815 4.412 3.072
117 HD1 TRP 670 HD1 TRP 670 28.834 4.668 3.590
118 HE1 TRP 670 HE1 TRP 670 27.279 5.962 1.996
119 HE3 TRP 670 HE3 TRP 670 31.598 4.483 -0.715
120 HZ2 TRP 670 HZ2 TRP 670 27.211 6.808 -0.726
121 HZ3 TRP 670 HZ3 TRP 670 30.759 5.545 -2.784
122 HH2 TRP 670 HH2 TRP 670 28.570 6.704 -2.798
123 H ASN 671 HN ASN 671 32.837 0.992 2.412
124 HA ASN 671 HA ASN 671 35.357 1.908 3.571
125 HB2 ASN 671 HB2 ASN 671 33.655 -0.538 3.481
126 HB3 ASN 671 HB1 ASN 671 35.359 -0.767 3.876
127 HD21 ASN 671 HD21 ASN 671 32.375 0.862 4.946
128 HD22 ASN 671 HD22 ASN 671 32.915 1.175 6.525
129 H TRP 672 HN TRP 672 34.335 0.256 0.667
130 HA TRP 672 HA TRP 672 36.575 -1.158 -0.195
131 HB2 TRP 672 HB2 TRP 672 34.272 0.239 -1.326
132 HB3 TRP 672 HB1 TRP 672 35.628 0.195 -2.446
133 HD1 TRP 672 HD1 TRP 672 34.705 -2.569 0.081
134 HE1 TRP 672 HE1 TRP 672 34.206 -4.721 -1.252
135 HE3 TRP 672 HE3 TRP 672 35.037 -0.741 -4.650
136 HZ2 TRP 672 HZ2 TRP 672 33.985 -5.555 -3.989
137 HZ3 TRP 672 HZ3 TRP 672 34.681 -2.223 -6.614
138 HH2 TRP 672 HH2 TRP 672 34.154 -4.626 -6.286
139 H PHE 673 HN PHE 673 35.920 2.252 -1.082
140 HA PHE 673 HA PHE 673 38.504 2.767 -2.197
141 HB2 PHE 673 HB2 PHE 673 36.371 4.544 -0.974
142 HB3 PHE 673 HB1 PHE 673 37.747 5.158 -1.891
143 HD1 PHE 673 HD1 PHE 673 38.136 3.729 -4.194
144 HD2 PHE 673 HD2 PHE 673 34.392 4.317 -2.172
145 HE1 PHE 673 HE1 PHE 673 36.923 3.290 -6.312
146 HE2 PHE 673 HE2 PHE 673 33.179 3.877 -4.290
147 HZ PHE 673 HZ PHE 673 34.445 3.364 -6.360
148 H ASN 674 HN ASN 674 40.178 2.127 -0.756
149 HA ASN 674 HA ASN 674 40.233 3.366 1.954
150 HB2 ASN 674 HB2 ASN 674 42.056 1.724 2.307
151 HB3 ASN 674 HB1 ASN 674 40.605 0.937 1.690
152 HD21 ASN 674 HD21 ASN 674 43.791 0.632 1.344
153 HD22 ASN 674 HD22 ASN 674 43.919 0.294 -0.315
154 H ILE 675 HN ILE 675 40.594 5.248 -0.064
155 HA ILE 675 HA ILE 675 43.159 5.722 -1.063
156 HB ILE 675 HB ILE 675 42.384 8.126 -0.946
157 HG12 ILE 675 HG12 ILE 675 39.696 7.626 -0.225
158 HG13 ILE 675 HG11 ILE 675 40.687 6.972 1.068
159 HG21 ILE 675 HG21 ILE 675 41.410 7.565 -2.887
160 HG22 ILE 675 HG22 ILE 675 39.981 7.030 -2.003
161 HG23 ILE 675 HG23 ILE 675 41.282 5.891 -2.350
162 HD11 ILE 675 HD11 ILE 675 41.593 9.031 1.608
163 HD12 ILE 675 HD12 ILE 675 39.989 9.527 1.067
164 HD13 ILE 675 HD13 ILE 675 41.370 9.670 -0.020
165 H THR 676 HN THR 676 41.910 6.509 2.177
166 HA THR 676 HA THR 676 44.131 8.009 3.094
167 HB THR 676 HB THR 676 41.998 7.716 4.305
168 HG1 THR 676 HG1 THR 676 43.442 8.259 5.766
169 HG21 THR 676 HG21 THR 676 42.704 5.049 5.355
170 HG22 THR 676 HG22 THR 676 42.230 5.071 3.657
171 HG23 THR 676 HG23 THR 676 41.132 5.695 4.887
172 H ASN 677 HN ASN 677 43.757 4.591 2.463
173 HA ASN 677 HA ASN 677 46.069 3.686 3.979
174 HB2 ASN 677 HB2 ASN 677 43.872 2.527 2.933
175 HB3 ASN 677 HB1 ASN 677 45.008 2.193 1.625
176 HD21 ASN 677 HD21 ASN 677 44.303 1.540 5.036
177 HD22 ASN 677 HD22 ASN 677 45.433 0.286 5.211
178 H TRP 678 HN TRP 678 45.441 4.187 0.462
179 HA TRP 678 HA TRP 678 48.317 3.873 -0.060
180 HB2 TRP 678 HB2 TRP 678 47.611 4.357 -2.428
181 HB3 TRP 678 HB1 TRP 678 47.018 2.898 -1.697
182 HD1 TRP 678 HD1 TRP 678 44.377 2.995 -0.887
183 HE1 TRP 678 HE1 TRP 678 42.424 4.132 -2.155
184 HE3 TRP 678 HE3 TRP 678 47.014 6.221 -3.757
185 HZ2 TRP 678 HZ2 TRP 678 42.064 6.180 -4.154
186 HZ3 TRP 678 HZ3 TRP 678 45.877 7.764 -5.344
187 HH2 TRP 678 HH2 TRP 678 43.403 7.744 -5.541
188 H LEU 679 HN LEU 679 46.218 6.442 0.636
189 HA LEU 679 HA LEU 679 47.671 8.591 -0.690
190 HB2 LEU 679 HB2 LEU 679 45.682 8.334 1.566
191 HB3 LEU 679 HB1 LEU 679 46.399 9.894 1.173
192 HG LEU 679 HG LEU 679 44.944 8.135 -0.815
193 HD11 LEU 679 HD11 LEU 679 43.195 9.916 -0.638
194 HD12 LEU 679 HD12 LEU 679 44.087 10.601 0.720
195 HD13 LEU 679 HD13 LEU 679 43.391 8.986 0.847
196 HD21 LEU 679 HD21 LEU 679 44.949 10.526 -1.936
197 HD22 LEU 679 HD22 LEU 679 46.354 9.470 -2.086
198 HD23 LEU 679 HD23 LEU 679 46.353 10.775 -0.899
199 H TRP 680 HN TRP 680 48.166 6.769 2.242
200 HA TRP 680 HA TRP 680 49.538 8.509 3.916
201 HB2 TRP 680 HB2 TRP 680 50.382 6.537 4.886
202 HB3 TRP 680 HB1 TRP 680 48.929 5.996 4.057
203 HD1 TRP 680 HD1 TRP 680 49.562 5.296 1.305
204 HE1 TRP 680 HE1 TRP 680 51.428 3.673 0.578
205 HE3 TRP 680 HE3 TRP 680 52.523 5.442 5.461
206 HZ2 TRP 680 HZ2 TRP 680 53.856 2.580 1.623
207 HZ3 TRP 680 HZ3 TRP 680 54.605 4.102 5.569
208 HH2 TRP 680 HH2 TRP 680 55.275 2.672 3.657
209 H TYR 681 HN TYR 681 50.613 7.330 0.798
210 HA TYR 681 HA TYR 681 53.412 8.207 1.307
211 HB2 TYR 681 HB2 TYR 681 53.974 6.645 -0.268
212 HB3 TYR 681 HB1 TYR 681 52.422 5.972 0.208
213 HD1 TYR 681 HD1 TYR 681 50.461 7.673 -1.100
214 HD2 TYR 681 HD2 TYR 681 54.261 6.302 -2.554
215 HE1 TYR 681 HE1 TYR 681 49.650 7.902 -3.431
216 HE2 TYR 681 HE2 TYR 681 53.453 6.538 -4.886
217 HH TYR 681 HH TYR 681 50.163 6.999 -5.652
218 H ILE 682 HN ILE 682 50.613 9.630 0.015
219 HA ILE 682 HA ILE 682 51.828 10.980 -2.241
220 HB ILE 682 HB ILE 682 49.698 12.159 -2.264
221 HG12 ILE 682 HG12 ILE 682 48.156 11.238 -0.229
222 HG13 ILE 682 HG11 ILE 682 49.719 11.348 0.577
223 HG21 ILE 682 HG21 ILE 682 48.173 10.222 -2.317
224 HG22 ILE 682 HG22 ILE 682 49.376 9.262 -1.459
225 HG23 ILE 682 HG23 ILE 682 49.714 9.848 -3.087
226 HD11 ILE 682 HD11 ILE 682 48.031 13.519 -0.575
227 HD12 ILE 682 HD12 ILE 682 49.782 13.705 -0.666
228 HD13 ILE 682 HD13 ILE 682 48.997 13.510 0.901
229 H LYS 683 HN LYS 683 51.537 11.630 1.163
230 HA LYS 683 HA LYS 683 51.987 14.478 1.104
231 HB2 LYS 683 HB2 LYS 683 52.023 12.231 3.064
232 HB3 LYS 683 HB1 LYS 683 52.856 13.712 3.539
233 HG2 LYS 683 HG2 LYS 683 50.783 14.998 2.950
234 HG3 LYS 683 HG1 LYS 683 49.964 13.461 2.666
235 HD2 LYS 683 HD2 LYS 683 49.857 12.947 4.897
236 HD3 LYS 683 HD1 LYS 683 51.396 13.730 5.257
237 HE2 LYS 683 HE2 LYS 683 50.081 15.361 6.186
238 HE3 LYS 683 HE1 LYS 683 49.833 15.877 4.506
239 HZ1 LYS 683 HZ1 LYS 683 47.698 15.487 5.481
240 HZ2 LYS 683 HZ2 LYS 683 48.171 13.957 6.048
241 HZ3 LYS 683 HZ3 LYS 683 48.002 14.233 4.380
Start of MODEL 2
1 H1 GLU 657 HT1 GLU 657 17.857 -6.273 -2.582
2 H2 GLU 657 HT2 GLU 657 17.946 -7.958 -2.382
3 H3 GLU 657 HT3 GLU 657 18.752 -6.927 -1.298
4 HA GLU 657 HA GLU 657 15.820 -7.324 -1.576
5 HB2 GLU 657 HB2 GLU 657 18.030 -7.965 0.353
6 HB3 GLU 657 HB1 GLU 657 16.399 -7.725 0.980
7 HG2 GLU 657 HG2 GLU 657 16.235 -9.967 0.514
8 HG3 GLU 657 HG1 GLU 657 15.820 -9.351 -1.085
9 H LYS 658 HN LYS 658 14.583 -5.974 -0.014
10 HA LYS 658 HA LYS 658 13.973 -3.845 0.812
11 HB2 LYS 658 HB2 LYS 658 16.840 -4.275 1.655
12 HB3 LYS 658 HB1 LYS 658 15.959 -2.826 2.141
13 HG2 LYS 658 HG2 LYS 658 14.108 -4.495 2.905
14 HG3 LYS 658 HG1 LYS 658 15.397 -5.697 2.850
15 HD2 LYS 658 HD2 LYS 658 15.740 -3.081 4.317
16 HD3 LYS 658 HD1 LYS 658 15.019 -4.490 5.097
17 HE2 LYS 658 HE2 LYS 658 17.015 -5.641 5.161
18 HE3 LYS 658 HE1 LYS 658 17.588 -4.933 3.637
19 HZ1 LYS 658 HZ1 LYS 658 18.711 -4.052 5.675
20 HZ2 LYS 658 HZ2 LYS 658 17.225 -3.366 6.131
21 HZ3 LYS 658 HZ3 LYS 658 17.991 -2.867 4.698
22 H ASP 659 HN ASP 659 15.159 -1.419 0.916
23 HA ASP 659 HA ASP 659 15.175 -0.478 -1.781
24 HB2 ASP 659 HB2 ASP 659 15.695 0.520 0.955
25 HB3 ASP 659 HB1 ASP 659 16.478 1.446 -0.326
26 H LEU 660 HN LEU 660 17.046 0.539 -2.907
27 HA LEU 660 HA LEU 660 19.418 -1.178 -2.803
28 HB2 LEU 660 HB2 LEU 660 18.572 1.201 -4.476
29 HB3 LEU 660 HB1 LEU 660 20.049 0.282 -4.766
30 HG LEU 660 HG LEU 660 18.334 -1.768 -4.684
31 HD11 LEU 660 HD11 LEU 660 16.697 0.683 -5.170
32 HD12 LEU 660 HD12 LEU 660 16.254 -0.820 -4.362
33 HD13 LEU 660 HD13 LEU 660 16.324 -0.754 -6.123
34 HD21 LEU 660 HD21 LEU 660 19.743 -1.401 -6.584
35 HD22 LEU 660 HD22 LEU 660 18.917 0.105 -6.990
36 HD23 LEU 660 HD23 LEU 660 18.095 -1.439 -7.211
37 H LEU 661 HN LEU 661 18.475 1.926 -1.601
38 HA LEU 661 HA LEU 661 21.221 2.898 -1.199
39 HB2 LEU 661 HB2 LEU 661 18.417 3.830 -0.674
40 HB3 LEU 661 HB1 LEU 661 19.788 4.695 0.010
41 HG LEU 661 HG LEU 661 18.727 5.132 -2.477
42 HD11 LEU 661 HD11 LEU 661 21.536 5.612 -1.466
43 HD12 LEU 661 HD12 LEU 661 20.151 6.688 -1.289
44 HD13 LEU 661 HD13 LEU 661 20.851 6.408 -2.883
45 HD21 LEU 661 HD21 LEU 661 21.247 3.499 -2.887
46 HD22 LEU 661 HD22 LEU 661 20.376 4.387 -4.134
47 HD23 LEU 661 HD23 LEU 661 19.622 2.999 -3.357
48 H ALA 662 HN ALA 662 20.056 0.411 0.233
49 HA ALA 662 HA ALA 662 19.678 0.955 2.992
50 HB1 ALA 662 HB1 ALA 662 20.929 -1.453 1.625
51 HB2 ALA 662 HB2 ALA 662 19.194 -1.178 1.783
52 HB3 ALA 662 HB3 ALA 662 20.181 -1.441 3.222
53 H LEU 663 HN LEU 663 21.168 2.268 3.960
54 HA LEU 663 HA LEU 663 23.921 2.525 3.435
55 HB2 LEU 663 HB2 LEU 663 22.330 2.801 6.001
56 HB3 LEU 663 HB1 LEU 663 23.971 3.412 5.794
57 HG LEU 663 HG LEU 663 21.883 4.169 3.781
58 HD11 LEU 663 HD11 LEU 663 21.503 6.229 5.286
59 HD12 LEU 663 HD12 LEU 663 22.157 5.240 6.592
60 HD13 LEU 663 HD13 LEU 663 20.691 4.735 5.752
61 HD21 LEU 663 HD21 LEU 663 23.979 4.997 3.178
62 HD22 LEU 663 HD22 LEU 663 24.480 5.231 4.853
63 HD23 LEU 663 HD23 LEU 663 23.337 6.349 4.110
64 H ASP 664 HN ASP 664 22.231 0.003 5.136
65 HA ASP 664 HA ASP 664 24.478 -1.069 6.614
66 HB2 ASP 664 HB2 ASP 664 21.790 -1.434 6.582
67 HB3 ASP 664 HB1 ASP 664 22.288 -2.836 5.634
68 H SER 665 HN SER 665 23.235 -1.435 3.341
69 HA SER 665 HA SER 665 25.139 -3.618 2.717
70 HB2 SER 665 HB2 SER 665 22.700 -3.499 1.983
71 HB3 SER 665 HB1 SER 665 23.173 -2.172 0.926
72 HG SER 665 HG SER 665 23.217 -4.277 -0.074
73 H TRP 666 HN TRP 666 24.753 -0.189 2.322
74 HA TRP 666 HA TRP 666 26.658 0.181 0.131
75 HB2 TRP 666 HB2 TRP 666 25.029 1.790 2.019
76 HB3 TRP 666 HB1 TRP 666 26.428 2.577 1.318
77 HD1 TRP 666 HD1 TRP 666 23.087 0.969 0.327
78 HE1 TRP 666 HE1 TRP 666 22.545 1.710 -2.091
79 HE3 TRP 666 HE3 TRP 666 27.398 3.338 -0.779
80 HZ2 TRP 666 HZ2 TRP 666 23.827 3.147 -4.235
81 HZ3 TRP 666 HZ3 TRP 666 27.758 4.394 -3.015
82 HH2 TRP 666 HH2 TRP 666 25.971 4.301 -4.737
83 H LYS 667 HN LYS 667 26.784 0.218 3.670
84 HA LYS 667 HA LYS 667 29.172 1.534 4.197
85 HB2 LYS 667 HB2 LYS 667 27.910 -0.967 5.339
86 HB3 LYS 667 HB1 LYS 667 29.384 -0.298 6.040
87 HG2 LYS 667 HG2 LYS 667 27.200 1.646 5.534
88 HG3 LYS 667 HG1 LYS 667 26.898 0.466 6.810
89 HD2 LYS 667 HD2 LYS 667 28.811 1.145 8.043
90 HD3 LYS 667 HD1 LYS 667 29.480 2.028 6.669
91 HE2 LYS 667 HE2 LYS 667 26.790 2.837 7.747
92 HE3 LYS 667 HE1 LYS 667 28.263 3.374 8.579
93 HZ1 LYS 667 HZ1 LYS 667 29.129 4.135 6.435
94 HZ2 LYS 667 HZ2 LYS 667 27.689 4.938 6.842
95 HZ3 LYS 667 HZ3 LYS 667 27.675 3.695 5.683
96 H ASN 668 HN ASN 668 28.791 -1.613 2.660
97 HA ASN 668 HA ASN 668 31.568 -2.432 2.864
98 HB2 ASN 668 HB2 ASN 668 30.757 -4.286 1.786
99 HB3 ASN 668 HB1 ASN 668 29.186 -3.576 2.144
100 HD21 ASN 668 HD21 ASN 668 27.866 -3.148 0.355
101 HD22 ASN 668 HD22 ASN 668 28.405 -3.097 -1.254
102 H LEU 669 HN LEU 669 29.720 -0.619 0.404
103 HA LEU 669 HA LEU 669 31.938 -0.387 -1.468
104 HB2 LEU 669 HB2 LEU 669 29.274 -0.083 -1.588
105 HB3 LEU 669 HB1 LEU 669 29.727 1.604 -1.330
106 HG LEU 669 HG LEU 669 31.385 0.173 -3.313
107 HD11 LEU 669 HD11 LEU 669 29.526 0.583 -5.058
108 HD12 LEU 669 HD12 LEU 669 28.420 0.587 -3.684
109 HD13 LEU 669 HD13 LEU 669 29.381 -0.848 -4.039
110 HD21 LEU 669 HD21 LEU 669 31.567 2.594 -2.859
111 HD22 LEU 669 HD22 LEU 669 29.878 2.809 -3.320
112 HD23 LEU 669 HD23 LEU 669 31.063 2.305 -4.524
113 H TRP 670 HN TRP 670 30.623 1.728 1.132
114 HA TRP 670 HA TRP 670 32.320 3.957 0.533
115 HB2 TRP 670 HB2 TRP 670 30.849 2.953 2.978
116 HB3 TRP 670 HB1 TRP 670 31.794 4.433 3.045
117 HD1 TRP 670 HD1 TRP 670 28.808 4.680 3.548
118 HE1 TRP 670 HE1 TRP 670 27.255 5.958 1.938
119 HE3 TRP 670 HE3 TRP 670 31.596 4.481 -0.743
120 HZ2 TRP 670 HZ2 TRP 670 27.198 6.788 -0.790
121 HZ3 TRP 670 HZ3 TRP 670 30.762 5.527 -2.822
122 HH2 TRP 670 HH2 TRP 670 28.568 6.678 -2.854
123 H ASN 671 HN ASN 671 32.828 1.018 2.417
124 HA ASN 671 HA ASN 671 35.350 1.946 3.568
125 HB2 ASN 671 HB2 ASN 671 33.628 -0.484 3.523
126 HB3 ASN 671 HB1 ASN 671 35.336 -0.739 3.885
127 HD21 ASN 671 HD21 ASN 671 32.340 0.640 5.103
128 HD22 ASN 671 HD22 ASN 671 32.943 1.080 6.627
129 H TRP 672 HN TRP 672 34.317 0.269 0.683
130 HA TRP 672 HA TRP 672 36.549 -1.164 -0.167
131 HB2 TRP 672 HB2 TRP 672 34.243 0.209 -1.302
132 HB3 TRP 672 HB1 TRP 672 35.598 0.199 -2.424
133 HD1 TRP 672 HD1 TRP 672 34.670 -2.588 0.082
134 HE1 TRP 672 HE1 TRP 672 34.229 -4.742 -1.264
135 HE3 TRP 672 HE3 TRP 672 35.097 -0.751 -4.641
136 HZ2 TRP 672 HZ2 TRP 672 34.084 -5.577 -4.005
137 HZ3 TRP 672 HZ3 TRP 672 34.805 -2.237 -6.612
138 HH2 TRP 672 HH2 TRP 672 34.298 -4.646 -6.298
139 H PHE 673 HN PHE 673 35.916 2.245 -1.073
140 HA PHE 673 HA PHE 673 38.581 2.685 -2.108
141 HB2 PHE 673 HB2 PHE 673 36.303 4.493 -1.257
142 HB3 PHE 673 HB1 PHE 673 37.756 5.080 -2.068
143 HD1 PHE 673 HD1 PHE 673 38.322 4.251 -4.369
144 HD2 PHE 673 HD2 PHE 673 34.578 3.353 -2.464
145 HE1 PHE 673 HE1 PHE 673 37.359 3.612 -6.564
146 HE2 PHE 673 HE2 PHE 673 33.616 2.713 -4.659
147 HZ PHE 673 HZ PHE 673 35.006 2.843 -6.708
148 H ASN 674 HN ASN 674 39.550 1.728 0.032
149 HA ASN 674 HA ASN 674 39.704 3.736 2.223
150 HB2 ASN 674 HB2 ASN 674 39.932 0.842 1.877
151 HB3 ASN 674 HB1 ASN 674 41.261 1.494 2.835
152 HD21 ASN 674 HD21 ASN 674 39.980 3.609 4.192
153 HD22 ASN 674 HD22 ASN 674 38.768 2.978 5.200
154 H ILE 675 HN ILE 675 41.070 5.302 1.141
155 HA ILE 675 HA ILE 675 43.520 4.716 -0.207
156 HB ILE 675 HB ILE 675 43.222 7.197 1.462
157 HG12 ILE 675 HG12 ILE 675 41.495 6.535 -0.951
158 HG13 ILE 675 HG11 ILE 675 40.926 6.856 0.685
159 HG21 ILE 675 HG21 ILE 675 44.763 6.332 -0.762
160 HG22 ILE 675 HG22 ILE 675 44.761 7.927 -0.009
161 HG23 ILE 675 HG23 ILE 675 43.678 7.588 -1.354
162 HD11 ILE 675 HD11 ILE 675 42.051 9.131 0.497
163 HD12 ILE 675 HD12 ILE 675 40.627 8.895 -0.515
164 HD13 ILE 675 HD13 ILE 675 42.238 8.794 -1.224
165 H THR 676 HN THR 676 42.799 5.160 3.228
166 HA THR 676 HA THR 676 45.425 5.343 4.243
167 HB THR 676 HB THR 676 42.971 3.897 5.305
168 HG1 THR 676 HG1 THR 676 43.937 6.548 5.574
169 HG21 THR 676 HG21 THR 676 44.036 4.463 7.531
170 HG22 THR 676 HG22 THR 676 45.506 4.855 6.638
171 HG23 THR 676 HG23 THR 676 44.863 3.213 6.601
172 H ASN 677 HN ASN 677 43.677 2.592 2.908
173 HA ASN 677 HA ASN 677 45.502 0.554 3.915
174 HB2 ASN 677 HB2 ASN 677 43.100 0.798 2.212
175 HB3 ASN 677 HB1 ASN 677 44.175 -0.525 1.762
176 HD21 ASN 677 HD21 ASN 677 45.156 -1.370 4.237
177 HD22 ASN 677 HD22 ASN 677 43.877 -1.911 5.213
178 H TRP 678 HN TRP 678 45.004 2.119 0.714
179 HA TRP 678 HA TRP 678 47.461 0.825 -0.282
180 HB2 TRP 678 HB2 TRP 678 46.916 2.294 -2.324
181 HB3 TRP 678 HB1 TRP 678 45.949 0.897 -1.961
182 HD1 TRP 678 HD1 TRP 678 43.516 1.512 -0.645
183 HE1 TRP 678 HE1 TRP 678 41.929 3.451 -1.288
184 HE3 TRP 678 HE3 TRP 678 46.786 4.469 -3.128
185 HZ2 TRP 678 HZ2 TRP 678 42.063 5.959 -2.702
186 HZ3 TRP 678 HZ3 TRP 678 46.062 6.631 -4.134
187 HH2 TRP 678 HH2 TRP 678 43.703 7.375 -3.919
188 H LEU 679 HN LEU 679 46.664 3.726 1.275
189 HA LEU 679 HA LEU 679 48.846 5.393 0.305
190 HB2 LEU 679 HB2 LEU 679 47.002 5.312 2.691
191 HB3 LEU 679 HB1 LEU 679 48.332 6.465 2.646
192 HG LEU 679 HG LEU 679 46.220 6.205 0.496
193 HD11 LEU 679 HD11 LEU 679 45.028 7.164 2.235
194 HD12 LEU 679 HD12 LEU 679 45.768 8.606 1.541
195 HD13 LEU 679 HD13 LEU 679 46.470 7.858 2.976
196 HD21 LEU 679 HD21 LEU 679 47.280 8.602 0.100
197 HD22 LEU 679 HD22 LEU 679 48.043 7.162 -0.574
198 HD23 LEU 679 HD23 LEU 679 48.668 7.878 0.911
199 H TRP 680 HN TRP 680 48.613 2.782 2.609
200 HA TRP 680 HA TRP 680 50.675 3.264 4.408
201 HB2 TRP 680 HB2 TRP 680 50.591 0.945 4.759
202 HB3 TRP 680 HB1 TRP 680 49.027 1.291 4.036
203 HD1 TRP 680 HD1 TRP 680 49.216 1.154 1.141
204 HE1 TRP 680 HE1 TRP 680 50.188 -0.823 -0.196
205 HE3 TRP 680 HE3 TRP 680 52.086 -1.023 4.756
206 HZ2 TRP 680 HZ2 TRP 680 51.952 -3.039 0.216
207 HZ3 TRP 680 HZ3 TRP 680 53.401 -3.063 4.259
208 HH2 TRP 680 HH2 TRP 680 53.337 -4.073 1.996
209 H TYR 681 HN TYR 681 51.002 2.686 0.975
210 HA TYR 681 HA TYR 681 53.914 2.125 1.223
211 HB2 TYR 681 HB2 TYR 681 53.657 1.006 -0.755
212 HB3 TYR 681 HB1 TYR 681 51.984 0.944 -0.220
213 HD1 TYR 681 HD1 TYR 681 50.958 3.614 -0.737
214 HD2 TYR 681 HD2 TYR 681 53.687 1.260 -3.070
215 HE1 TYR 681 HE1 TYR 681 50.262 4.834 -2.781
216 HE2 TYR 681 HE2 TYR 681 52.997 2.484 -5.113
217 HH TYR 681 HH TYR 681 51.204 5.357 -5.015
218 H ILE 682 HN ILE 682 52.002 4.897 0.801
219 HA ILE 682 HA ILE 682 53.607 6.215 -1.219
220 HB ILE 682 HB ILE 682 52.231 8.125 -0.594
221 HG12 ILE 682 HG12 ILE 682 50.522 7.386 1.377
222 HG13 ILE 682 HG11 ILE 682 51.993 6.575 1.913
223 HG21 ILE 682 HG21 ILE 682 50.001 7.120 -0.876
224 HG22 ILE 682 HG22 ILE 682 50.670 5.538 -0.482
225 HG23 ILE 682 HG23 ILE 682 51.178 6.369 -1.951
226 HD11 ILE 682 HD11 ILE 682 51.415 9.483 1.684
227 HD12 ILE 682 HD12 ILE 682 53.047 8.961 1.267
228 HD13 ILE 682 HD13 ILE 682 52.395 8.619 2.868
229 H LYS 683 HN LYS 683 53.769 5.881 2.238
230 HA LYS 683 HA LYS 683 55.535 8.148 2.720
231 HB2 LYS 683 HB2 LYS 683 55.699 7.079 4.966
232 HB3 LYS 683 HB1 LYS 683 54.027 7.220 4.424
233 HG2 LYS 683 HG2 LYS 683 53.762 4.960 4.214
234 HG3 LYS 683 HG1 LYS 683 55.414 4.716 3.648
235 HD2 LYS 683 HD2 LYS 683 55.954 5.467 6.171
236 HD3 LYS 683 HD1 LYS 683 54.353 4.772 6.432
237 HE2 LYS 683 HE2 LYS 683 55.708 2.876 6.678
238 HE3 LYS 683 HE1 LYS 683 55.341 2.793 4.943
239 HZ1 LYS 683 HZ1 LYS 683 57.336 4.109 4.509
240 HZ2 LYS 683 HZ2 LYS 683 57.722 2.654 5.295
241 HZ3 LYS 683 HZ3 LYS 683 57.707 4.116 6.163
Start of MODEL 3
1 H1 GLU 657 HT1 GLU 657 12.024 -5.076 2.652
2 H2 GLU 657 HT2 GLU 657 11.975 -3.413 2.309
3 H3 GLU 657 HT3 GLU 657 11.143 -4.030 3.656
4 HA GLU 657 HA GLU 657 13.277 -2.884 4.223
5 HB2 GLU 657 HB2 GLU 657 12.324 -5.617 4.875
6 HB3 GLU 657 HB1 GLU 657 13.951 -5.231 5.435
7 HG2 GLU 657 HG2 GLU 657 12.707 -2.960 6.170
8 HG3 GLU 657 HG1 GLU 657 11.340 -4.072 6.266
9 H LYS 658 HN LYS 658 13.774 -3.555 1.449
10 HA LYS 658 HA LYS 658 16.596 -4.441 1.694
11 HB2 LYS 658 HB2 LYS 658 16.221 -6.117 -0.124
12 HB3 LYS 658 HB1 LYS 658 15.305 -6.492 1.335
13 HG2 LYS 658 HG2 LYS 658 13.285 -6.051 0.347
14 HG3 LYS 658 HG1 LYS 658 13.941 -4.761 -0.660
15 HD2 LYS 658 HD2 LYS 658 15.053 -6.455 -2.087
16 HD3 LYS 658 HD1 LYS 658 14.347 -7.734 -1.099
17 HE2 LYS 658 HE2 LYS 658 12.182 -7.335 -1.889
18 HE3 LYS 658 HE1 LYS 658 12.547 -5.653 -2.326
19 HZ1 LYS 658 HZ1 LYS 658 13.960 -6.387 -4.082
20 HZ2 LYS 658 HZ2 LYS 658 12.478 -7.198 -4.258
21 HZ3 LYS 658 HZ3 LYS 658 13.822 -8.009 -3.608
22 H ASP 659 HN ASP 659 15.534 -1.857 1.109
23 HA ASP 659 HA ASP 659 15.258 -1.271 -1.673
24 HB2 ASP 659 HB2 ASP 659 15.732 0.111 0.883
25 HB3 ASP 659 HB1 ASP 659 16.408 0.959 -0.508
26 H LEU 660 HN LEU 660 17.031 0.269 -2.735
27 HA LEU 660 HA LEU 660 19.507 -1.320 -2.898
28 HB2 LEU 660 HB2 LEU 660 18.486 1.120 -4.380
29 HB3 LEU 660 HB1 LEU 660 19.920 0.195 -4.830
30 HG LEU 660 HG LEU 660 18.138 -1.821 -4.686
31 HD11 LEU 660 HD11 LEU 660 16.124 -0.660 -6.030
32 HD12 LEU 660 HD12 LEU 660 16.591 0.706 -5.016
33 HD13 LEU 660 HD13 LEU 660 16.107 -0.819 -4.274
34 HD21 LEU 660 HD21 LEU 660 19.490 -1.452 -6.633
35 HD22 LEU 660 HD22 LEU 660 18.684 0.077 -6.981
36 HD23 LEU 660 HD23 LEU 660 17.816 -1.445 -7.188
37 H LEU 661 HN LEU 661 18.412 1.716 -1.602
38 HA LEU 661 HA LEU 661 21.120 2.789 -1.194
39 HB2 LEU 661 HB2 LEU 661 18.284 3.610 -0.662
40 HB3 LEU 661 HB1 LEU 661 19.620 4.519 0.032
41 HG LEU 661 HG LEU 661 18.546 4.939 -2.452
42 HD11 LEU 661 HD11 LEU 661 20.136 6.318 -0.973
43 HD12 LEU 661 HD12 LEU 661 20.294 6.517 -2.718
44 HD13 LEU 661 HD13 LEU 661 21.440 5.507 -1.838
45 HD21 LEU 661 HD21 LEU 661 21.126 3.403 -2.875
46 HD22 LEU 661 HD22 LEU 661 20.223 4.269 -4.114
47 HD23 LEU 661 HD23 LEU 661 19.520 2.848 -3.349
48 H ALA 662 HN ALA 662 20.055 0.247 0.218
49 HA ALA 662 HA ALA 662 19.655 0.753 2.982
50 HB1 ALA 662 HB1 ALA 662 20.227 -1.620 3.193
51 HB2 ALA 662 HB2 ALA 662 21.017 -1.595 1.617
52 HB3 ALA 662 HB3 ALA 662 19.270 -1.388 1.731
53 H LEU 663 HN LEU 663 21.098 2.135 3.941
54 HA LEU 663 HA LEU 663 23.844 2.478 3.420
55 HB2 LEU 663 HB2 LEU 663 22.107 2.789 5.870
56 HB3 LEU 663 HB1 LEU 663 23.812 3.239 5.899
57 HG LEU 663 HG LEU 663 22.074 4.249 3.671
58 HD11 LEU 663 HD11 LEU 663 21.429 6.183 5.013
59 HD12 LEU 663 HD12 LEU 663 22.299 5.543 6.407
60 HD13 LEU 663 HD13 LEU 663 20.862 4.714 5.808
61 HD21 LEU 663 HD21 LEU 663 24.259 5.680 5.183
62 HD22 LEU 663 HD22 LEU 663 23.715 5.940 3.526
63 HD23 LEU 663 HD23 LEU 663 24.651 4.502 3.931
64 H ASP 664 HN ASP 664 22.224 -0.081 5.135
65 HA ASP 664 HA ASP 664 24.510 -1.087 6.605
66 HB2 ASP 664 HB2 ASP 664 21.838 -2.167 5.684
67 HB3 ASP 664 HB1 ASP 664 22.980 -3.185 6.562
68 H SER 665 HN SER 665 23.256 -1.478 3.345
69 HA SER 665 HA SER 665 25.179 -3.641 2.712
70 HB2 SER 665 HB2 SER 665 22.683 -3.407 1.996
71 HB3 SER 665 HB1 SER 665 23.292 -2.243 0.822
72 HG SER 665 HG SER 665 23.587 -4.026 -0.292
73 H TRP 666 HN TRP 666 24.743 -0.217 2.310
74 HA TRP 666 HA TRP 666 26.645 0.180 0.123
75 HB2 TRP 666 HB2 TRP 666 25.003 1.766 2.022
76 HB3 TRP 666 HB1 TRP 666 26.392 2.570 1.318
77 HD1 TRP 666 HD1 TRP 666 23.066 0.925 0.329
78 HE1 TRP 666 HE1 TRP 666 22.508 1.672 -2.085
79 HE3 TRP 666 HE3 TRP 666 27.341 3.356 -0.772
80 HZ2 TRP 666 HZ2 TRP 666 23.767 3.140 -4.223
81 HZ3 TRP 666 HZ3 TRP 666 27.682 4.433 -3.003
82 HH2 TRP 666 HH2 TRP 666 25.894 4.326 -4.722
83 H LYS 667 HN LYS 667 26.771 0.211 3.659
84 HA LYS 667 HA LYS 667 29.155 1.543 4.187
85 HB2 LYS 667 HB2 LYS 667 27.684 -0.779 5.347
86 HB3 LYS 667 HB1 LYS 667 29.334 -0.535 5.922
87 HG2 LYS 667 HG2 LYS 667 28.654 1.936 6.250
88 HG3 LYS 667 HG1 LYS 667 26.993 1.362 6.094
89 HD2 LYS 667 HD2 LYS 667 28.842 -0.056 7.980
90 HD3 LYS 667 HD1 LYS 667 28.136 1.483 8.474
91 HE2 LYS 667 HE2 LYS 667 25.970 0.634 8.511
92 HE3 LYS 667 HE1 LYS 667 26.329 -0.607 7.293
93 HZ1 LYS 667 HZ1 LYS 667 26.181 -1.533 9.556
94 HZ2 LYS 667 HZ2 LYS 667 27.474 -0.540 10.036
95 HZ3 LYS 667 HZ3 LYS 667 27.717 -1.752 8.870
96 H ASN 668 HN ASN 668 28.788 -1.614 2.664
97 HA ASN 668 HA ASN 668 31.569 -2.420 2.879
98 HB2 ASN 668 HB2 ASN 668 30.777 -4.284 1.795
99 HB3 ASN 668 HB1 ASN 668 29.204 -3.594 2.179
100 HD21 ASN 668 HD21 ASN 668 28.209 -2.183 0.418
101 HD22 ASN 668 HD22 ASN 668 28.570 -2.542 -1.200
102 H LEU 669 HN LEU 669 29.724 -0.599 0.429
103 HA LEU 669 HA LEU 669 31.939 -0.389 -1.455
104 HB2 LEU 669 HB2 LEU 669 29.280 -0.084 -1.583
105 HB3 LEU 669 HB1 LEU 669 29.725 1.602 -1.314
106 HG LEU 669 HG LEU 669 31.397 0.192 -3.300
107 HD11 LEU 669 HD11 LEU 669 28.426 0.466 -3.601
108 HD12 LEU 669 HD12 LEU 669 29.490 -0.828 -4.154
109 HD13 LEU 669 HD13 LEU 669 29.457 0.713 -5.011
110 HD21 LEU 669 HD21 LEU 669 31.304 2.305 -4.403
111 HD22 LEU 669 HD22 LEU 669 31.367 2.680 -2.682
112 HD23 LEU 669 HD23 LEU 669 29.833 2.769 -3.547
113 H TRP 670 HN TRP 670 30.631 1.727 1.145
114 HA TRP 670 HA TRP 670 32.325 3.956 0.544
115 HB2 TRP 670 HB2 TRP 670 30.862 2.948 2.992
116 HB3 TRP 670 HB1 TRP 670 31.806 4.430 3.059
117 HD1 TRP 670 HD1 TRP 670 28.822 4.674 3.570
118 HE1 TRP 670 HE1 TRP 670 27.262 5.950 1.965
119 HE3 TRP 670 HE3 TRP 670 31.594 4.478 -0.731
120 HZ2 TRP 670 HZ2 TRP 670 27.194 6.778 -0.763
121 HZ3 TRP 670 HZ3 TRP 670 30.752 5.522 -2.807
122 HH2 TRP 670 HH2 TRP 670 28.557 6.670 -2.832
123 H ASN 671 HN ASN 671 32.843 1.016 2.422
124 HA ASN 671 HA ASN 671 35.371 1.948 3.559
125 HB2 ASN 671 HB2 ASN 671 33.713 -0.547 3.475
126 HB3 ASN 671 HB1 ASN 671 35.400 -0.683 3.970
127 HD21 ASN 671 HD21 ASN 671 33.000 -1.020 5.704
128 HD22 ASN 671 HD22 ASN 671 33.137 0.152 6.924
129 H TRP 672 HN TRP 672 34.320 0.282 0.680
130 HA TRP 672 HA TRP 672 36.539 -1.163 -0.186
131 HB2 TRP 672 HB2 TRP 672 34.226 0.208 -1.297
132 HB3 TRP 672 HB1 TRP 672 35.575 0.233 -2.427
133 HD1 TRP 672 HD1 TRP 672 34.660 -2.599 0.034
134 HE1 TRP 672 HE1 TRP 672 34.249 -4.738 -1.346
135 HE3 TRP 672 HE3 TRP 672 35.121 -0.694 -4.662
136 HZ2 TRP 672 HZ2 TRP 672 34.139 -5.536 -4.101
137 HZ3 TRP 672 HZ3 TRP 672 34.860 -2.155 -6.654
138 HH2 TRP 672 HH2 TRP 672 34.370 -4.571 -6.378
139 H PHE 673 HN PHE 673 35.926 2.259 -1.070
140 HA PHE 673 HA PHE 673 38.651 2.641 -2.039
141 HB2 PHE 673 HB2 PHE 673 36.238 4.391 -1.528
142 HB3 PHE 673 HB1 PHE 673 37.758 5.054 -2.131
143 HD1 PHE 673 HD1 PHE 673 38.826 3.559 -4.126
144 HD2 PHE 673 HD2 PHE 673 34.655 3.804 -3.128
145 HE1 PHE 673 HE1 PHE 673 38.234 2.834 -6.422
146 HE2 PHE 673 HE2 PHE 673 34.063 3.079 -5.425
147 HZ PHE 673 HZ PHE 673 35.852 2.593 -7.072
148 H ASN 674 HN ASN 674 39.266 1.785 0.364
149 HA ASN 674 HA ASN 674 39.382 4.041 2.298
150 HB2 ASN 674 HB2 ASN 674 39.391 1.116 2.325
151 HB3 ASN 674 HB1 ASN 674 40.656 1.789 3.354
152 HD21 ASN 674 HD21 ASN 674 39.425 4.140 4.292
153 HD22 ASN 674 HD22 ASN 674 38.054 3.735 5.207
154 H ILE 675 HN ILE 675 41.000 5.374 1.300
155 HA ILE 675 HA ILE 675 43.509 4.459 0.269
156 HB ILE 675 HB ILE 675 42.751 7.089 1.595
157 HG12 ILE 675 HG12 ILE 675 42.631 6.353 -1.342
158 HG13 ILE 675 HG11 ILE 675 41.230 6.284 -0.278
159 HG21 ILE 675 HG21 ILE 675 44.482 7.945 -0.082
160 HG22 ILE 675 HG22 ILE 675 44.965 6.262 -0.291
161 HG23 ILE 675 HG23 ILE 675 45.116 7.033 1.288
162 HD11 ILE 675 HD11 ILE 675 41.035 8.437 -1.150
163 HD12 ILE 675 HD12 ILE 675 42.781 8.681 -1.199
164 HD13 ILE 675 HD13 ILE 675 41.927 8.739 0.342
165 H THR 676 HN THR 676 42.452 5.325 3.554
166 HA THR 676 HA THR 676 44.906 5.570 4.893
167 HB THR 676 HB THR 676 42.680 5.913 5.895
168 HG1 THR 676 HG1 THR 676 43.902 5.569 7.572
169 HG21 THR 676 HG21 THR 676 41.478 4.095 4.804
170 HG22 THR 676 HG22 THR 676 41.337 3.916 6.553
171 HG23 THR 676 HG23 THR 676 42.461 2.900 5.650
172 H ASN 677 HN ASN 677 43.440 2.681 3.560
173 HA ASN 677 HA ASN 677 45.257 0.841 4.982
174 HB2 ASN 677 HB2 ASN 677 43.145 0.644 2.824
175 HB3 ASN 677 HB1 ASN 677 44.124 -0.750 3.283
176 HD21 ASN 677 HD21 ASN 677 44.282 -0.734 5.974
177 HD22 ASN 677 HD22 ASN 677 42.752 -0.690 6.708
178 H TRP 678 HN TRP 678 45.170 2.686 2.045
179 HA TRP 678 HA TRP 678 47.139 1.134 0.553
180 HB2 TRP 678 HB2 TRP 678 45.412 3.487 0.293
181 HB3 TRP 678 HB1 TRP 678 46.979 3.728 -0.458
182 HD1 TRP 678 HD1 TRP 678 44.047 1.251 -0.500
183 HE1 TRP 678 HE1 TRP 678 43.999 0.143 -2.842
184 HE3 TRP 678 HE3 TRP 678 48.224 3.304 -2.445
185 HZ2 TRP 678 HZ2 TRP 678 45.586 0.155 -5.254
186 HZ3 TRP 678 HZ3 TRP 678 48.971 2.768 -4.765
187 HH2 TRP 678 HH2 TRP 678 47.652 1.195 -6.167
188 H LEU 679 HN LEU 679 47.181 3.802 2.818
189 HA LEU 679 HA LEU 679 49.804 4.791 2.071
190 HB2 LEU 679 HB2 LEU 679 48.214 5.188 4.615
191 HB3 LEU 679 HB1 LEU 679 49.441 6.261 3.952
192 HG LEU 679 HG LEU 679 46.693 5.679 2.859
193 HD11 LEU 679 HD11 LEU 679 48.192 8.112 3.795
194 HD12 LEU 679 HD12 LEU 679 46.657 7.474 4.384
195 HD13 LEU 679 HD13 LEU 679 46.742 8.243 2.799
196 HD21 LEU 679 HD21 LEU 679 47.542 7.319 0.993
197 HD22 LEU 679 HD22 LEU 679 47.914 5.600 0.862
198 HD23 LEU 679 HD23 LEU 679 49.138 6.724 1.454
199 H TRP 680 HN TRP 680 48.706 2.235 4.123
200 HA TRP 680 HA TRP 680 50.544 2.015 6.179
201 HB2 TRP 680 HB2 TRP 680 48.924 0.250 4.497
202 HB3 TRP 680 HB1 TRP 680 50.343 -0.565 5.153
203 HD1 TRP 680 HD1 TRP 680 46.993 0.835 6.118
204 HE1 TRP 680 HE1 TRP 680 46.568 0.416 8.626
205 HE3 TRP 680 HE3 TRP 680 51.631 -0.761 7.545
206 HZ2 TRP 680 HZ2 TRP 680 48.004 -0.479 10.932
207 HZ3 TRP 680 HZ3 TRP 680 52.073 -1.390 9.900
208 HH2 TRP 680 HH2 TRP 680 50.268 -1.250 11.595
209 H TYR 681 HN TYR 681 51.136 1.559 2.743
210 HA TYR 681 HA TYR 681 53.849 0.432 3.163
211 HB2 TYR 681 HB2 TYR 681 52.642 1.318 0.548
212 HB3 TYR 681 HB1 TYR 681 53.752 -0.015 0.855
213 HD1 TYR 681 HD1 TYR 681 52.703 -1.707 2.781
214 HD2 TYR 681 HD2 TYR 681 50.504 0.664 -0.044
215 HE1 TYR 681 HE1 TYR 681 50.779 -3.257 2.978
216 HE2 TYR 681 HE2 TYR 681 48.580 -0.882 0.151
217 HH TYR 681 HH TYR 681 47.859 -2.656 2.313
218 H ILE 682 HN ILE 682 52.347 3.539 2.358
219 HA ILE 682 HA ILE 682 55.100 4.629 2.097
220 HB ILE 682 HB ILE 682 53.640 6.387 0.696
221 HG12 ILE 682 HG12 ILE 682 52.227 3.813 0.038
222 HG13 ILE 682 HG11 ILE 682 51.574 4.906 1.257
223 HG21 ILE 682 HG21 ILE 682 55.592 4.909 -0.016
224 HG22 ILE 682 HG22 ILE 682 54.424 5.293 -1.280
225 HG23 ILE 682 HG23 ILE 682 54.386 3.714 -0.494
226 HD11 ILE 682 HD11 ILE 682 51.909 6.743 -0.572
227 HD12 ILE 682 HD12 ILE 682 50.524 5.658 -0.698
228 HD13 ILE 682 HD13 ILE 682 51.958 5.378 -1.688
229 H LYS 683 HN LYS 683 52.075 6.403 2.273
230 HA LYS 683 HA LYS 683 53.092 8.260 4.226
231 HB2 LYS 683 HB2 LYS 683 50.584 7.674 2.759
232 HB3 LYS 683 HB1 LYS 683 50.379 8.551 4.276
233 HG2 LYS 683 HG2 LYS 683 50.780 10.354 2.908
234 HG3 LYS 683 HG1 LYS 683 52.454 9.936 3.272
235 HD2 LYS 683 HD2 LYS 683 52.633 9.928 0.987
236 HD3 LYS 683 HD1 LYS 683 52.032 8.281 1.180
237 HE2 LYS 683 HE2 LYS 683 50.432 8.998 -0.314
238 HE3 LYS 683 HE1 LYS 683 49.677 9.671 1.144
239 HZ1 LYS 683 HZ1 LYS 683 51.085 11.674 0.807
240 HZ2 LYS 683 HZ2 LYS 683 49.930 11.440 -0.416
241 HZ3 LYS 683 HZ3 LYS 683 51.559 11.047 -0.696
Start of MODEL 4
1 H1 GLU 657 HT1 GLU 657 13.577 -7.183 2.264
2 H2 GLU 657 HT2 GLU 657 12.441 -7.166 3.527
3 H3 GLU 657 HT3 GLU 657 14.053 -7.604 3.835
4 HA GLU 657 HA GLU 657 13.105 -4.903 3.013
5 HB2 GLU 657 HB2 GLU 657 12.539 -5.680 5.312
6 HB3 GLU 657 HB1 GLU 657 14.247 -6.019 5.597
7 HG2 GLU 657 HG2 GLU 657 14.442 -3.467 4.735
8 HG3 GLU 657 HG1 GLU 657 12.833 -3.407 5.458
9 H LYS 658 HN LYS 658 14.792 -5.148 1.255
10 HA LYS 658 HA LYS 658 17.439 -4.295 2.284
11 HB2 LYS 658 HB2 LYS 658 16.755 -6.928 1.164
12 HB3 LYS 658 HB1 LYS 658 18.125 -6.163 0.359
13 HG2 LYS 658 HG2 LYS 658 19.402 -6.082 2.319
14 HG3 LYS 658 HG1 LYS 658 17.985 -6.203 3.362
15 HD2 LYS 658 HD2 LYS 658 17.644 -8.546 2.431
16 HD3 LYS 658 HD1 LYS 658 19.240 -8.394 1.695
17 HE2 LYS 658 HE2 LYS 658 19.910 -7.657 4.183
18 HE3 LYS 658 HE1 LYS 658 18.509 -8.673 4.580
19 HZ1 LYS 658 HZ1 LYS 658 20.413 -10.086 4.427
20 HZ2 LYS 658 HZ2 LYS 658 20.857 -9.430 2.924
21 HZ3 LYS 658 HZ3 LYS 658 19.451 -10.374 3.061
22 H ASP 659 HN ASP 659 16.181 -2.394 1.146
23 HA ASP 659 HA ASP 659 15.832 -2.322 -1.688
24 HB2 ASP 659 HB2 ASP 659 15.978 -0.482 0.611
25 HB3 ASP 659 HB1 ASP 659 16.449 0.255 -0.921
26 H LEU 660 HN LEU 660 17.283 -0.432 -2.866
27 HA LEU 660 HA LEU 660 19.963 -1.598 -3.069
28 HB2 LEU 660 HB2 LEU 660 18.595 0.739 -4.431
29 HB3 LEU 660 HB1 LEU 660 20.135 0.041 -4.936
30 HG LEU 660 HG LEU 660 17.909 -1.888 -4.606
31 HD11 LEU 660 HD11 LEU 660 17.787 0.446 -6.451
32 HD12 LEU 660 HD12 LEU 660 16.476 -0.494 -5.739
33 HD13 LEU 660 HD13 LEU 660 17.358 -1.124 -7.131
34 HD21 LEU 660 HD21 LEU 660 19.896 -2.796 -5.478
35 HD22 LEU 660 HD22 LEU 660 20.212 -1.380 -6.481
36 HD23 LEU 660 HD23 LEU 660 18.935 -2.511 -6.929
37 H LEU 661 HN LEU 661 18.494 1.328 -1.828
38 HA LEU 661 HA LEU 661 21.054 2.652 -1.287
39 HB2 LEU 661 HB2 LEU 661 18.131 3.174 -0.873
40 HB3 LEU 661 HB1 LEU 661 19.333 4.213 -0.118
41 HG LEU 661 HG LEU 661 18.339 4.569 -2.627
42 HD11 LEU 661 HD11 LEU 661 20.984 5.338 -1.402
43 HD12 LEU 661 HD12 LEU 661 19.510 6.302 -1.505
44 HD13 LEU 661 HD13 LEU 661 20.459 5.982 -2.958
45 HD21 LEU 661 HD21 LEU 661 20.093 4.023 -4.251
46 HD22 LEU 661 HD22 LEU 661 19.476 2.552 -3.505
47 HD23 LEU 661 HD23 LEU 661 21.027 3.216 -2.993
48 H ALA 662 HN ALA 662 20.095 0.010 0.117
49 HA ALA 662 HA ALA 662 19.632 0.535 2.870
50 HB1 ALA 662 HB1 ALA 662 19.248 -1.664 2.214
51 HB2 ALA 662 HB2 ALA 662 20.851 -1.837 2.926
52 HB3 ALA 662 HB3 ALA 662 20.673 -1.709 1.176
53 H LEU 663 HN LEU 663 21.004 1.996 3.824
54 HA LEU 663 HA LEU 663 23.739 2.449 3.331
55 HB2 LEU 663 HB2 LEU 663 23.699 3.466 5.590
56 HB3 LEU 663 HB1 LEU 663 22.231 3.859 4.695
57 HG LEU 663 HG LEU 663 21.424 1.570 5.877
58 HD11 LEU 663 HD11 LEU 663 22.453 1.100 7.873
59 HD12 LEU 663 HD12 LEU 663 22.887 2.784 8.165
60 HD13 LEU 663 HD13 LEU 663 23.843 1.809 7.050
61 HD21 LEU 663 HD21 LEU 663 21.424 4.181 7.403
62 HD22 LEU 663 HD22 LEU 663 20.161 2.951 7.351
63 HD23 LEU 663 HD23 LEU 663 20.469 3.959 5.937
64 H ASP 664 HN ASP 664 22.192 -0.106 5.120
65 HA ASP 664 HA ASP 664 24.507 -1.037 6.588
66 HB2 ASP 664 HB2 ASP 664 21.854 -1.516 6.650
67 HB3 ASP 664 HB1 ASP 664 22.354 -2.899 5.675
68 H SER 665 HN SER 665 23.271 -1.489 3.333
69 HA SER 665 HA SER 665 25.216 -3.642 2.732
70 HB2 SER 665 HB2 SER 665 22.750 -2.473 1.587
71 HB3 SER 665 HB1 SER 665 23.926 -3.040 0.405
72 HG SER 665 HG SER 665 22.837 -4.507 2.583
73 H TRP 666 HN TRP 666 24.757 -0.227 2.302
74 HA TRP 666 HA TRP 666 26.664 0.176 0.122
75 HB2 TRP 666 HB2 TRP 666 25.005 1.754 2.011
76 HB3 TRP 666 HB1 TRP 666 26.395 2.566 1.320
77 HD1 TRP 666 HD1 TRP 666 23.089 0.898 0.296
78 HE1 TRP 666 HE1 TRP 666 22.547 1.650 -2.119
79 HE3 TRP 666 HE3 TRP 666 27.353 3.370 -0.756
80 HZ2 TRP 666 HZ2 TRP 666 23.812 3.137 -4.239
81 HZ3 TRP 666 HZ3 TRP 666 27.705 4.458 -2.978
82 HH2 TRP 666 HH2 TRP 666 25.934 4.343 -4.715
83 H LYS 667 HN LYS 667 26.779 0.208 3.658
84 HA LYS 667 HA LYS 667 29.159 1.542 4.194
85 HB2 LYS 667 HB2 LYS 667 27.931 -0.978 5.336
86 HB3 LYS 667 HB1 LYS 667 29.371 -0.254 6.053
87 HG2 LYS 667 HG2 LYS 667 27.099 1.584 5.491
88 HG3 LYS 667 HG1 LYS 667 26.878 0.435 6.811
89 HD2 LYS 667 HD2 LYS 667 28.978 1.197 7.844
90 HD3 LYS 667 HD1 LYS 667 29.223 2.335 6.519
91 HE2 LYS 667 HE2 LYS 667 27.676 3.814 7.339
92 HE3 LYS 667 HE1 LYS 667 26.587 2.519 7.874
93 HZ1 LYS 667 HZ1 LYS 667 27.589 3.580 9.786
94 HZ2 LYS 667 HZ2 LYS 667 29.147 3.307 9.165
95 HZ3 LYS 667 HZ3 LYS 667 28.179 1.996 9.644
96 H ASN 668 HN ASN 668 28.793 -1.607 2.661
97 HA ASN 668 HA ASN 668 31.571 -2.419 2.874
98 HB2 ASN 668 HB2 ASN 668 30.759 -4.281 1.815
99 HB3 ASN 668 HB1 ASN 668 29.185 -3.564 2.143
100 HD21 ASN 668 HD21 ASN 668 27.891 -3.162 0.330
101 HD22 ASN 668 HD22 ASN 668 28.454 -3.124 -1.270
102 H LEU 669 HN LEU 669 29.723 -0.614 0.409
103 HA LEU 669 HA LEU 669 31.943 -0.385 -1.460
104 HB2 LEU 669 HB2 LEU 669 29.282 -0.081 -1.590
105 HB3 LEU 669 HB1 LEU 669 29.728 1.605 -1.325
106 HG LEU 669 HG LEU 669 31.401 0.187 -3.305
107 HD11 LEU 669 HD11 LEU 669 29.749 0.190 -5.069
108 HD12 LEU 669 HD12 LEU 669 28.540 0.900 -3.999
109 HD13 LEU 669 HD13 LEU 669 29.101 -0.749 -3.724
110 HD21 LEU 669 HD21 LEU 669 31.720 2.534 -3.042
111 HD22 LEU 669 HD22 LEU 669 29.985 2.850 -3.075
112 HD23 LEU 669 HD23 LEU 669 30.820 2.360 -4.549
113 H TRP 670 HN TRP 670 30.628 1.730 1.140
114 HA TRP 670 HA TRP 670 32.326 3.957 0.543
115 HB2 TRP 670 HB2 TRP 670 30.850 2.951 2.981
116 HB3 TRP 670 HB1 TRP 670 31.807 4.424 3.062
117 HD1 TRP 670 HD1 TRP 670 28.833 4.708 3.567
118 HE1 TRP 670 HE1 TRP 670 27.289 6.004 1.963
119 HE3 TRP 670 HE3 TRP 670 31.600 4.478 -0.736
120 HZ2 TRP 670 HZ2 TRP 670 27.229 6.835 -0.764
121 HZ3 TRP 670 HZ3 TRP 670 30.770 5.534 -2.811
122 HH2 TRP 670 HH2 TRP 670 28.589 6.709 -2.833
123 H ASN 671 HN ASN 671 32.831 1.018 2.421
124 HA ASN 671 HA ASN 671 35.359 1.940 3.565
125 HB2 ASN 671 HB2 ASN 671 33.472 -0.012 4.079
126 HB3 ASN 671 HB1 ASN 671 34.806 -0.950 3.408
127 HD21 ASN 671 HD21 ASN 671 34.398 1.796 5.731
128 HD22 ASN 671 HD22 ASN 671 35.531 1.203 6.848
129 H TRP 672 HN TRP 672 34.310 0.276 0.682
130 HA TRP 672 HA TRP 672 36.530 -1.168 -0.182
131 HB2 TRP 672 HB2 TRP 672 34.218 0.201 -1.296
132 HB3 TRP 672 HB1 TRP 672 35.566 0.226 -2.424
133 HD1 TRP 672 HD1 TRP 672 34.642 -2.602 0.039
134 HE1 TRP 672 HE1 TRP 672 34.237 -4.744 -1.339
135 HE3 TRP 672 HE3 TRP 672 35.126 -0.708 -4.658
136 HZ2 TRP 672 HZ2 TRP 672 34.138 -5.547 -4.091
137 HZ3 TRP 672 HZ3 TRP 672 34.875 -2.173 -6.649
138 HH2 TRP 672 HH2 TRP 672 34.380 -4.589 -6.369
139 H PHE 673 HN PHE 673 35.910 2.251 -1.068
140 HA PHE 673 HA PHE 673 38.641 2.638 -2.021
141 HB2 PHE 673 HB2 PHE 673 36.285 4.471 -1.491
142 HB3 PHE 673 HB1 PHE 673 37.779 4.997 -2.266
143 HD1 PHE 673 HD2 PHE 673 38.496 3.939 -4.435
144 HD2 PHE 673 HD1 PHE 673 34.636 3.225 -2.690
145 HE1 PHE 673 HE2 PHE 673 37.671 3.083 -6.610
146 HE2 PHE 673 HE1 PHE 673 33.810 2.369 -4.866
147 HZ PHE 673 HZ PHE 673 35.328 2.298 -6.827
148 H ASN 674 HN ASN 674 39.520 1.907 0.214
149 HA ASN 674 HA ASN 674 39.351 3.959 2.341
150 HB2 ASN 674 HB2 ASN 674 40.082 1.135 2.015
151 HB3 ASN 674 HB1 ASN 674 41.189 2.008 3.075
152 HD21 ASN 674 HD21 ASN 674 39.470 3.838 4.327
153 HD22 ASN 674 HD22 ASN 674 38.298 3.001 5.225
154 H ILE 675 HN ILE 675 40.545 5.750 1.533
155 HA ILE 675 HA ILE 675 42.945 5.741 0.095
156 HB ILE 675 HB ILE 675 43.204 8.002 1.183
157 HG12 ILE 675 HG12 ILE 675 40.625 8.031 2.430
158 HG13 ILE 675 HG11 ILE 675 41.590 6.757 3.160
159 HG21 ILE 675 HG21 ILE 675 40.383 8.093 0.543
160 HG22 ILE 675 HG22 ILE 675 41.239 7.037 -0.579
161 HG23 ILE 675 HG23 ILE 675 41.751 8.712 -0.380
162 HD11 ILE 675 HD11 ILE 675 43.142 8.218 4.009
163 HD12 ILE 675 HD12 ILE 675 41.748 9.297 3.986
164 HD13 ILE 675 HD13 ILE 675 42.935 9.364 2.686
165 H THR 676 HN THR 676 42.502 5.417 3.606
166 HA THR 676 HA THR 676 45.233 5.637 4.360
167 HB THR 676 HB THR 676 43.330 5.534 5.928
168 HG1 THR 676 HG1 THR 676 45.016 3.279 6.252
169 HG21 THR 676 HG21 THR 676 43.062 2.723 4.843
170 HG22 THR 676 HG22 THR 676 41.849 4.003 4.837
171 HG23 THR 676 HG23 THR 676 42.315 3.237 6.356
172 H ASN 677 HN ASN 677 43.476 3.132 2.678
173 HA ASN 677 HA ASN 677 45.391 0.982 3.087
174 HB2 ASN 677 HB2 ASN 677 42.818 1.166 2.281
175 HB3 ASN 677 HB1 ASN 677 43.604 1.089 0.703
176 HD21 ASN 677 HD21 ASN 677 43.163 -0.691 3.761
177 HD22 ASN 677 HD22 ASN 677 43.659 -2.194 3.149
178 H TRP 678 HN TRP 678 44.658 3.149 0.294
179 HA TRP 678 HA TRP 678 47.124 2.222 -1.016
180 HB2 TRP 678 HB2 TRP 678 46.432 3.892 -2.771
181 HB3 TRP 678 HB1 TRP 678 45.393 2.526 -2.516
182 HD1 TRP 678 HD1 TRP 678 43.082 3.064 -1.123
183 HE1 TRP 678 HE1 TRP 678 41.620 5.195 -1.317
184 HE3 TRP 678 HE3 TRP 678 46.504 6.246 -3.062
185 HZ2 TRP 678 HZ2 TRP 678 41.911 7.928 -2.200
186 HZ3 TRP 678 HZ3 TRP 678 45.922 8.607 -3.583
187 HH2 TRP 678 HH2 TRP 678 43.627 9.448 -3.151
188 H LEU 679 HN LEU 679 46.249 4.737 1.085
189 HA LEU 679 HA LEU 679 48.290 6.676 0.337
190 HB2 LEU 679 HB2 LEU 679 46.557 6.113 2.745
191 HB3 LEU 679 HB1 LEU 679 47.777 7.383 2.789
192 HG LEU 679 HG LEU 679 45.591 7.182 0.703
193 HD11 LEU 679 HD11 LEU 679 44.691 9.186 1.913
194 HD12 LEU 679 HD12 LEU 679 45.879 8.893 3.184
195 HD13 LEU 679 HD13 LEU 679 44.621 7.701 2.861
196 HD21 LEU 679 HD21 LEU 679 47.195 8.455 -0.340
197 HD22 LEU 679 HD22 LEU 679 47.941 8.945 1.180
198 HD23 LEU 679 HD23 LEU 679 46.454 9.722 0.637
199 H TRP 680 HN TRP 680 48.248 3.738 2.239
200 HA TRP 680 HA TRP 680 50.375 4.040 4.008
201 HB2 TRP 680 HB2 TRP 680 50.319 1.708 4.074
202 HB3 TRP 680 HB1 TRP 680 48.753 2.072 3.361
203 HD1 TRP 680 HD1 TRP 680 48.956 2.268 0.486
204 HE1 TRP 680 HE1 TRP 680 50.058 0.529 -1.065
205 HE3 TRP 680 HE3 TRP 680 51.970 -0.123 3.842
206 HZ2 TRP 680 HZ2 TRP 680 51.966 -1.595 -0.904
207 HZ3 TRP 680 HZ3 TRP 680 53.419 -1.998 3.118
208 HH2 TRP 680 HH2 TRP 680 53.421 -2.736 0.751
209 H TYR 681 HN TYR 681 50.498 3.850 0.515
210 HA TYR 681 HA TYR 681 53.439 3.427 0.510
211 HB2 TYR 681 HB2 TYR 681 52.712 2.169 -1.230
212 HB3 TYR 681 HB1 TYR 681 51.131 2.938 -1.213
213 HD1 TYR 681 HD2 TYR 681 54.679 3.786 -2.137
214 HD2 TYR 681 HD1 TYR 681 50.507 4.124 -3.102
215 HE1 TYR 681 HE2 TYR 681 55.255 5.024 -4.206
216 HE2 TYR 681 HE1 TYR 681 51.082 5.358 -5.171
217 HH TYR 681 HH TYR 681 53.196 5.459 -6.724
218 H ILE 682 HN ILE 682 51.088 6.024 0.073
219 HA ILE 682 HA ILE 682 53.379 7.773 -0.665
220 HB ILE 682 HB ILE 682 51.217 9.117 -1.603
221 HG12 ILE 682 HG12 ILE 682 50.560 6.234 -2.203
222 HG13 ILE 682 HG11 ILE 682 49.791 7.112 -0.884
223 HG21 ILE 682 HG21 ILE 682 51.754 7.847 -3.823
224 HG22 ILE 682 HG22 ILE 682 53.003 7.059 -2.861
225 HG23 ILE 682 HG23 ILE 682 53.020 8.810 -3.061
226 HD11 ILE 682 HD11 ILE 682 48.630 7.100 -3.221
227 HD12 ILE 682 HD12 ILE 682 49.857 8.294 -3.648
228 HD13 ILE 682 HD13 ILE 682 48.731 8.621 -2.331
229 H LYS 683 HN LYS 683 50.108 8.739 0.149
230 HA LYS 683 HA LYS 683 51.210 10.359 2.398
231 HB2 LYS 683 HB2 LYS 683 49.064 10.566 0.388
232 HB3 LYS 683 HB1 LYS 683 48.578 11.094 1.998
233 HG2 LYS 683 HG2 LYS 683 49.485 13.027 0.919
234 HG3 LYS 683 HG1 LYS 683 50.719 12.477 2.053
235 HD2 LYS 683 HD2 LYS 683 51.482 11.047 -0.080
236 HD3 LYS 683 HD1 LYS 683 50.707 12.386 -0.928
237 HE2 LYS 683 HE2 LYS 683 52.777 12.791 1.256
238 HE3 LYS 683 HE1 LYS 683 53.171 12.759 -0.474
239 HZ1 LYS 683 HZ1 LYS 683 52.708 15.017 0.209
240 HZ2 LYS 683 HZ2 LYS 683 51.203 14.553 0.847
241 HZ3 LYS 683 HZ3 LYS 683 51.478 14.477 -0.827
Start of MODEL 5
1 H1 GLU 657 HT1 GLU 657 15.297 -7.146 2.219
2 H2 GLU 657 HT2 GLU 657 13.757 -6.962 2.912
3 H3 GLU 657 HT3 GLU 657 14.519 -8.480 2.920
4 HA GLU 657 HA GLU 657 14.684 -7.491 5.113
5 HB2 GLU 657 HB2 GLU 657 17.040 -7.872 3.292
6 HB3 GLU 657 HB1 GLU 657 17.328 -7.368 4.957
7 HG2 GLU 657 HG2 GLU 657 15.639 -9.336 5.502
8 HG3 GLU 657 HG1 GLU 657 16.168 -9.930 3.928
9 H LYS 658 HN LYS 658 16.823 -5.616 2.927
10 HA LYS 658 HA LYS 658 15.963 -3.129 4.373
11 HB2 LYS 658 HB2 LYS 658 18.572 -4.426 4.013
12 HB3 LYS 658 HB1 LYS 658 18.582 -2.728 3.541
13 HG2 LYS 658 HG2 LYS 658 18.839 -2.278 5.744
14 HG3 LYS 658 HG1 LYS 658 17.134 -2.698 5.902
15 HD2 LYS 658 HD2 LYS 658 19.035 -4.978 5.876
16 HD3 LYS 658 HD1 LYS 658 19.093 -3.940 7.300
17 HE2 LYS 658 HE2 LYS 658 16.385 -4.230 6.980
18 HE3 LYS 658 HE1 LYS 658 16.978 -5.814 6.440
19 HZ1 LYS 658 HZ1 LYS 658 17.744 -4.435 8.959
20 HZ2 LYS 658 HZ2 LYS 658 18.364 -5.924 8.427
21 HZ3 LYS 658 HZ3 LYS 658 16.722 -5.783 8.843
22 H ASP 659 HN ASP 659 16.189 -1.160 3.052
23 HA ASP 659 HA ASP 659 15.220 -1.422 0.376
24 HB2 ASP 659 HB2 ASP 659 15.480 0.545 2.265
25 HB3 ASP 659 HB1 ASP 659 16.711 1.031 1.097
26 H LEU 660 HN LEU 660 16.859 0.405 -1.072
27 HA LEU 660 HA LEU 660 19.078 -1.393 -1.832
28 HB2 LEU 660 HB2 LEU 660 18.048 1.187 -3.042
29 HB3 LEU 660 HB1 LEU 660 19.150 0.049 -3.816
30 HG LEU 660 HG LEU 660 17.053 -1.585 -3.087
31 HD11 LEU 660 HD11 LEU 660 15.064 -0.495 -3.087
32 HD12 LEU 660 HD12 LEU 660 15.540 0.553 -4.424
33 HD13 LEU 660 HD13 LEU 660 16.017 0.955 -2.775
34 HD21 LEU 660 HD21 LEU 660 18.297 -1.453 -5.267
35 HD22 LEU 660 HD22 LEU 660 17.300 -0.064 -5.700
36 HD23 LEU 660 HD23 LEU 660 16.555 -1.645 -5.467
37 H LEU 661 HN LEU 661 18.564 1.900 -0.707
38 HA LEU 661 HA LEU 661 21.450 2.441 -0.620
39 HB2 LEU 661 HB2 LEU 661 18.899 3.946 -0.197
40 HB3 LEU 661 HB1 LEU 661 20.427 4.635 0.361
41 HG LEU 661 HG LEU 661 20.951 3.598 -2.200
42 HD11 LEU 661 HD11 LEU 661 19.278 4.402 -3.628
43 HD12 LEU 661 HD12 LEU 661 18.559 5.408 -2.370
44 HD13 LEU 661 HD13 LEU 661 18.374 3.654 -2.311
45 HD21 LEU 661 HD21 LEU 661 20.347 6.491 -1.549
46 HD22 LEU 661 HD22 LEU 661 21.513 5.863 -2.714
47 HD23 LEU 661 HD23 LEU 661 21.811 5.687 -0.984
48 H ALA 662 HN ALA 662 20.008 0.452 1.253
49 HA ALA 662 HA ALA 662 20.048 1.476 3.908
50 HB1 ALA 662 HB1 ALA 662 20.934 -1.310 3.513
51 HB2 ALA 662 HB2 ALA 662 19.473 -0.911 2.611
52 HB3 ALA 662 HB3 ALA 662 19.511 -0.704 4.361
53 H LEU 663 HN LEU 663 21.832 2.443 4.705
54 HA LEU 663 HA LEU 663 24.442 2.359 3.690
55 HB2 LEU 663 HB2 LEU 663 23.408 2.775 6.516
56 HB3 LEU 663 HB1 LEU 663 25.055 3.161 6.016
57 HG LEU 663 HG LEU 663 22.730 4.254 4.456
58 HD11 LEU 663 HD11 LEU 663 22.217 4.863 6.757
59 HD12 LEU 663 HD12 LEU 663 22.846 6.284 5.921
60 HD13 LEU 663 HD13 LEU 663 23.881 5.381 7.027
61 HD21 LEU 663 HD21 LEU 663 25.353 4.354 3.969
62 HD22 LEU 663 HD22 LEU 663 25.267 5.709 5.094
63 HD23 LEU 663 HD23 LEU 663 24.306 5.728 3.615
64 H ASP 664 HN ASP 664 22.804 -0.003 5.653
65 HA ASP 664 HA ASP 664 25.101 -1.393 6.704
66 HB2 ASP 664 HB2 ASP 664 22.281 -2.250 5.953
67 HB3 ASP 664 HB1 ASP 664 23.406 -3.269 6.852
68 H SER 665 HN SER 665 23.480 -1.285 3.605
69 HA SER 665 HA SER 665 25.008 -3.573 2.518
70 HB2 SER 665 HB2 SER 665 22.480 -2.747 2.156
71 HB3 SER 665 HB1 SER 665 23.252 -1.815 0.876
72 HG SER 665 HG SER 665 22.668 -3.819 0.063
73 H TRP 666 HN TRP 666 24.791 -0.090 2.333
74 HA TRP 666 HA TRP 666 26.692 0.248 0.131
75 HB2 TRP 666 HB2 TRP 666 25.075 1.876 2.009
76 HB3 TRP 666 HB1 TRP 666 26.482 2.650 1.308
77 HD1 TRP 666 HD1 TRP 666 23.035 1.323 0.404
78 HE1 TRP 666 HE1 TRP 666 22.568 1.912 -2.076
79 HE3 TRP 666 HE3 TRP 666 27.590 3.018 -0.885
80 HZ2 TRP 666 HZ2 TRP 666 24.008 2.994 -4.333
81 HZ3 TRP 666 HZ3 TRP 666 28.075 3.831 -3.202
82 HH2 TRP 666 HH2 TRP 666 26.280 3.822 -4.920
83 H LYS 667 HN LYS 667 26.828 0.237 3.668
84 HA LYS 667 HA LYS 667 29.244 1.514 4.202
85 HB2 LYS 667 HB2 LYS 667 27.769 -0.839 5.326
86 HB3 LYS 667 HB1 LYS 667 29.396 -0.533 5.936
87 HG2 LYS 667 HG2 LYS 667 27.779 1.906 5.751
88 HG3 LYS 667 HG1 LYS 667 27.081 0.703 6.836
89 HD2 LYS 667 HD2 LYS 667 29.957 1.659 6.944
90 HD3 LYS 667 HD1 LYS 667 28.669 2.227 8.007
91 HE2 LYS 667 HE2 LYS 667 28.346 -0.396 8.422
92 HE3 LYS 667 HE1 LYS 667 30.064 -0.419 7.976
93 HZ1 LYS 667 HZ1 LYS 667 28.780 1.251 10.070
94 HZ2 LYS 667 HZ2 LYS 667 30.378 1.469 9.537
95 HZ3 LYS 667 HZ3 LYS 667 29.925 0.023 10.305
96 H ASN 668 HN ASN 668 28.781 -1.636 2.682
97 HA ASN 668 HA ASN 668 31.538 -2.514 2.844
98 HB2 ASN 668 HB2 ASN 668 30.665 -4.345 1.770
99 HB3 ASN 668 HB1 ASN 668 29.117 -3.593 2.143
100 HD21 ASN 668 HD21 ASN 668 28.173 -2.169 0.377
101 HD22 ASN 668 HD22 ASN 668 28.541 -2.529 -1.240
102 H LEU 669 HN LEU 669 29.715 -0.626 0.436
103 HA LEU 669 HA LEU 669 31.934 -0.429 -1.456
104 HB2 LEU 669 HB2 LEU 669 29.262 -0.131 -1.569
105 HB3 LEU 669 HB1 LEU 669 29.724 1.559 -1.353
106 HG LEU 669 HG LEU 669 31.395 0.108 -3.298
107 HD11 LEU 669 HD11 LEU 669 29.235 -0.972 -3.771
108 HD12 LEU 669 HD12 LEU 669 29.674 0.133 -5.073
109 HD13 LEU 669 HD13 LEU 669 28.461 0.608 -3.883
110 HD21 LEU 669 HD21 LEU 669 29.814 2.699 -3.333
111 HD22 LEU 669 HD22 LEU 669 30.925 2.186 -4.603
112 HD23 LEU 669 HD23 LEU 669 31.535 2.527 -2.984
113 H TRP 670 HN TRP 670 30.599 1.688 1.134
114 HA TRP 670 HA TRP 670 32.275 3.927 0.515
115 HB2 TRP 670 HB2 TRP 670 30.878 2.955 3.025
116 HB3 TRP 670 HB1 TRP 670 31.709 4.503 2.958
117 HD1 TRP 670 HD1 TRP 670 28.665 4.445 3.499
118 HE1 TRP 670 HE1 TRP 670 27.006 5.521 1.850
119 HE3 TRP 670 HE3 TRP 670 31.495 4.431 -0.771
120 HZ2 TRP 670 HZ2 TRP 670 26.887 6.277 -0.896
121 HZ3 TRP 670 HZ3 TRP 670 30.576 5.340 -2.878
122 HH2 TRP 670 HH2 TRP 670 28.277 6.262 -2.949
123 H ASN 671 HN ASN 671 32.833 1.002 2.412
124 HA ASN 671 HA ASN 671 35.332 2.000 3.558
125 HB2 ASN 671 HB2 ASN 671 34.262 0.431 4.901
126 HB3 ASN 671 HB1 ASN 671 33.685 -0.504 3.525
127 HD21 ASN 671 HD21 ASN 671 35.361 -1.840 2.361
128 HD22 ASN 671 HD22 ASN 671 36.697 -2.419 3.232
129 H TRP 672 HN TRP 672 34.319 0.289 0.689
130 HA TRP 672 HA TRP 672 36.563 -1.131 -0.153
131 HB2 TRP 672 HB2 TRP 672 34.245 0.212 -1.293
132 HB3 TRP 672 HB1 TRP 672 35.602 0.228 -2.412
133 HD1 TRP 672 HD1 TRP 672 34.705 -2.579 0.081
134 HE1 TRP 672 HE1 TRP 672 34.306 -4.738 -1.273
135 HE3 TRP 672 HE3 TRP 672 35.137 -0.726 -4.636
136 HZ2 TRP 672 HZ2 TRP 672 34.194 -5.568 -4.017
137 HZ3 TRP 672 HZ3 TRP 672 34.882 -2.212 -6.612
138 HH2 TRP 672 HH2 TRP 672 34.412 -4.629 -6.305
139 H PHE 673 HN PHE 673 35.905 2.273 -1.063
140 HA PHE 673 HA PHE 673 38.588 2.721 -2.070
141 HB2 PHE 673 HB2 PHE 673 36.381 4.640 -1.249
142 HB3 PHE 673 HB1 PHE 673 37.757 5.037 -2.276
143 HD1 PHE 673 HD2 PHE 673 38.099 3.361 -4.337
144 HD2 PHE 673 HD1 PHE 673 34.386 4.041 -2.288
145 HE1 PHE 673 HE2 PHE 673 36.855 2.541 -6.320
146 HE2 PHE 673 HE1 PHE 673 33.142 3.221 -4.272
147 HZ PHE 673 HZ PHE 673 34.377 2.471 -6.287
148 H ASN 674 HN ASN 674 39.794 1.993 -0.093
149 HA ASN 674 HA ASN 674 39.620 3.701 2.308
150 HB2 ASN 674 HB2 ASN 674 41.124 1.251 1.412
151 HB3 ASN 674 HB1 ASN 674 41.624 2.105 2.871
152 HD21 ASN 674 HD21 ASN 674 39.337 2.804 4.151
153 HD22 ASN 674 HD22 ASN 674 38.347 1.459 4.454
154 H ILE 675 HN ILE 675 40.242 5.501 0.478
155 HA ILE 675 HA ILE 675 42.957 5.742 -0.386
156 HB ILE 675 HB ILE 675 40.895 7.867 0.301
157 HG12 ILE 675 HG12 ILE 675 41.435 6.532 -2.365
158 HG13 ILE 675 HG11 ILE 675 40.136 6.038 -1.283
159 HG21 ILE 675 HG21 ILE 675 43.158 7.961 -1.711
160 HG22 ILE 675 HG22 ILE 675 43.279 8.629 -0.083
161 HG23 ILE 675 HG23 ILE 675 42.104 9.289 -1.222
162 HD11 ILE 675 HD11 ILE 675 39.252 8.369 -1.336
163 HD12 ILE 675 HD12 ILE 675 39.246 7.603 -2.924
164 HD13 ILE 675 HD13 ILE 675 40.495 8.780 -2.518
165 H THR 676 HN THR 676 41.329 6.725 2.628
166 HA THR 676 HA THR 676 43.249 8.420 3.771
167 HB THR 676 HB THR 676 41.912 6.254 5.379
168 HG1 THR 676 HG1 THR 676 40.024 6.818 4.689
169 HG21 THR 676 HG21 THR 676 43.165 8.019 6.536
170 HG22 THR 676 HG22 THR 676 41.439 8.173 6.867
171 HG23 THR 676 HG23 THR 676 42.213 9.251 5.706
172 H ASN 677 HN ASN 677 43.425 4.951 3.280
173 HA ASN 677 HA ASN 677 45.769 4.603 5.034
174 HB2 ASN 677 HB2 ASN 677 44.080 2.950 3.174
175 HB3 ASN 677 HB1 ASN 677 45.653 2.330 3.679
176 HD21 ASN 677 HD21 ASN 677 42.747 1.561 4.456
177 HD22 ASN 677 HD22 ASN 677 42.778 1.556 6.153
178 H TRP 678 HN TRP 678 45.066 5.347 1.703
179 HA TRP 678 HA TRP 678 47.639 4.639 0.562
180 HB2 TRP 678 HB2 TRP 678 45.068 5.817 -0.175
181 HB3 TRP 678 HB1 TRP 678 46.403 6.623 -0.980
182 HD1 TRP 678 HD1 TRP 678 44.979 3.097 -0.458
183 HE1 TRP 678 HE1 TRP 678 45.662 1.668 -2.510
184 HE3 TRP 678 HE3 TRP 678 47.876 6.464 -2.855
185 HZ2 TRP 678 HZ2 TRP 678 47.269 1.964 -4.889
186 HZ3 TRP 678 HZ3 TRP 678 48.990 5.905 -5.016
187 HH2 TRP 678 HH2 TRP 678 48.686 3.658 -6.031
188 H LEU 679 HN LEU 679 46.363 7.396 2.262
189 HA LEU 679 HA LEU 679 48.251 9.336 1.223
190 HB2 LEU 679 HB2 LEU 679 46.611 9.399 3.763
191 HB3 LEU 679 HB1 LEU 679 47.190 10.775 2.832
192 HG LEU 679 HG LEU 679 45.059 8.780 2.081
193 HD11 LEU 679 HD11 LEU 679 43.861 10.968 1.584
194 HD12 LEU 679 HD12 LEU 679 45.210 11.771 2.387
195 HD13 LEU 679 HD13 LEU 679 44.200 10.636 3.281
196 HD21 LEU 679 HD21 LEU 679 46.472 8.983 0.110
197 HD22 LEU 679 HD22 LEU 679 46.508 10.739 0.275
198 HD23 LEU 679 HD23 LEU 679 45.004 9.924 -0.151
199 H TRP 680 HN TRP 680 48.426 6.951 3.716
200 HA TRP 680 HA TRP 680 50.083 7.958 5.678
201 HB2 TRP 680 HB2 TRP 680 49.543 5.401 4.389
202 HB3 TRP 680 HB1 TRP 680 51.188 5.469 5.018
203 HD1 TRP 680 HD1 TRP 680 47.609 5.173 6.080
204 HE1 TRP 680 HE1 TRP 680 47.471 5.016 8.649
205 HE3 TRP 680 HE3 TRP 680 52.424 6.367 7.300
206 HZ2 TRP 680 HZ2 TRP 680 49.175 5.352 10.922
207 HZ3 TRP 680 HZ3 TRP 680 53.138 6.441 9.671
208 HH2 TRP 680 HH2 TRP 680 51.521 5.936 11.482
209 H TYR 681 HN TYR 681 50.921 7.318 2.328
210 HA TYR 681 HA TYR 681 53.823 7.507 2.636
211 HB2 TYR 681 HB2 TYR 681 52.090 7.812 0.171
212 HB3 TYR 681 HB1 TYR 681 53.775 7.299 0.236
213 HD1 TYR 681 HD2 TYR 681 53.995 5.319 2.242
214 HD2 TYR 681 HD1 TYR 681 50.676 6.054 -0.382
215 HE1 TYR 681 HE2 TYR 681 53.261 2.965 2.511
216 HE2 TYR 681 HE1 TYR 681 49.941 3.701 -0.115
217 HH TYR 681 HH TYR 681 50.288 1.876 1.797
218 H ILE 682 HN ILE 682 51.226 9.813 1.708
219 HA ILE 682 HA ILE 682 53.358 11.894 1.569
220 HB ILE 682 HB ILE 682 51.499 12.979 0.084
221 HG12 ILE 682 HG12 ILE 682 50.197 11.238 -1.144
222 HG13 ILE 682 HG11 ILE 682 50.719 10.054 0.040
223 HG21 ILE 682 HG21 ILE 682 52.616 12.159 -1.799
224 HG22 ILE 682 HG22 ILE 682 52.801 10.551 -1.097
225 HG23 ILE 682 HG23 ILE 682 53.791 11.889 -0.511
226 HD11 ILE 682 HD11 ILE 682 48.437 11.129 0.457
227 HD12 ILE 682 HD12 ILE 682 49.316 12.614 0.823
228 HD13 ILE 682 HD13 ILE 682 49.570 11.174 1.807
229 H LYS 683 HN LYS 683 50.995 10.876 3.583
230 HA LYS 683 HA LYS 683 49.844 13.532 4.219
231 HB2 LYS 683 HB2 LYS 683 48.608 11.288 4.144
232 HB3 LYS 683 HB1 LYS 683 49.465 10.880 5.632
233 HG2 LYS 683 HG2 LYS 683 48.482 12.737 6.804
234 HG3 LYS 683 HG1 LYS 683 47.808 13.394 5.312
235 HD2 LYS 683 HD2 LYS 683 46.338 11.455 5.079
236 HD3 LYS 683 HD1 LYS 683 47.054 10.711 6.509
237 HE2 LYS 683 HE2 LYS 683 46.188 12.463 7.942
238 HE3 LYS 683 HE1 LYS 683 45.638 13.400 6.539
239 HZ1 LYS 683 HZ1 LYS 683 43.812 12.104 7.419
240 HZ2 LYS 683 HZ2 LYS 683 44.722 10.674 7.299
241 HZ3 LYS 683 HZ3 LYS 683 44.249 11.505 5.894
Start of MODEL 6
1 H1 GLU 657 HT1 GLU 657 13.417 -7.936 0.423
2 H2 GLU 657 HT2 GLU 657 12.587 -6.572 -0.158
3 H3 GLU 657 HT3 GLU 657 11.748 -7.787 0.682
4 HA GLU 657 HA GLU 657 12.205 -5.752 2.038
5 HB2 GLU 657 HB2 GLU 657 11.940 -8.313 2.670
6 HB3 GLU 657 HB1 GLU 657 13.631 -8.149 3.147
7 HG2 GLU 657 HG2 GLU 657 11.773 -6.011 4.061
8 HG3 GLU 657 HG1 GLU 657 11.602 -7.590 4.827
9 H LYS 658 HN LYS 658 14.227 -5.394 0.052
10 HA LYS 658 HA LYS 658 16.474 -4.544 1.773
11 HB2 LYS 658 HB2 LYS 658 16.458 -6.897 -0.006
12 HB3 LYS 658 HB1 LYS 658 17.831 -5.818 -0.257
13 HG2 LYS 658 HG2 LYS 658 18.257 -5.879 2.215
14 HG3 LYS 658 HG1 LYS 658 16.982 -7.090 2.361
15 HD2 LYS 658 HD2 LYS 658 19.106 -8.248 2.220
16 HD3 LYS 658 HD1 LYS 658 18.236 -8.511 0.708
17 HE2 LYS 658 HE2 LYS 658 19.558 -6.818 -0.426
18 HE3 LYS 658 HE1 LYS 658 20.333 -6.346 1.100
19 HZ1 LYS 658 HZ1 LYS 658 21.676 -7.943 -0.194
20 HZ2 LYS 658 HZ2 LYS 658 20.421 -9.081 -0.063
21 HZ3 LYS 658 HZ3 LYS 658 21.236 -8.546 1.328
22 H ASP 659 HN ASP 659 15.867 -2.408 1.050
23 HA ASP 659 HA ASP 659 15.479 -1.627 -1.670
24 HB2 ASP 659 HB2 ASP 659 16.197 -0.334 0.935
25 HB3 ASP 659 HB1 ASP 659 16.347 0.625 -0.538
26 H LEU 660 HN LEU 660 17.092 -0.040 -2.778
27 HA LEU 660 HA LEU 660 19.668 -1.418 -3.056
28 HB2 LEU 660 HB2 LEU 660 18.477 1.040 -4.373
29 HB3 LEU 660 HB1 LEU 660 19.927 0.197 -4.921
30 HG LEU 660 HG LEU 660 17.267 -1.207 -4.618
31 HD11 LEU 660 HD11 LEU 660 16.822 0.491 -6.235
32 HD12 LEU 660 HD12 LEU 660 17.198 -0.959 -7.166
33 HD13 LEU 660 HD13 LEU 660 18.412 0.306 -6.974
34 HD21 LEU 660 HD21 LEU 660 19.020 -2.784 -4.755
35 HD22 LEU 660 HD22 LEU 660 19.932 -1.804 -5.903
36 HD23 LEU 660 HD23 LEU 660 18.469 -2.641 -6.423
37 H LEU 661 HN LEU 661 18.437 1.543 -1.675
38 HA LEU 661 HA LEU 661 21.103 2.689 -1.209
39 HB2 LEU 661 HB2 LEU 661 18.236 3.413 -0.706
40 HB3 LEU 661 HB1 LEU 661 19.534 4.351 0.025
41 HG LEU 661 HG LEU 661 18.487 4.790 -2.463
42 HD11 LEU 661 HD11 LEU 661 20.299 6.354 -2.735
43 HD12 LEU 661 HD12 LEU 661 21.342 5.400 -1.680
44 HD13 LEU 661 HD13 LEU 661 19.948 6.249 -1.009
45 HD21 LEU 661 HD21 LEU 661 21.107 3.324 -2.885
46 HD22 LEU 661 HD22 LEU 661 20.195 4.188 -4.119
47 HD23 LEU 661 HD23 LEU 661 19.520 2.737 -3.384
48 H ALA 662 HN ALA 662 20.100 0.092 0.143
49 HA ALA 662 HA ALA 662 19.653 0.538 2.912
50 HB1 ALA 662 HB1 ALA 662 20.380 -1.825 3.084
51 HB2 ALA 662 HB2 ALA 662 21.059 -1.731 1.459
52 HB3 ALA 662 HB3 ALA 662 19.316 -1.596 1.696
53 H LEU 663 HN LEU 663 21.045 1.964 3.895
54 HA LEU 663 HA LEU 663 23.786 2.386 3.412
55 HB2 LEU 663 HB2 LEU 663 22.068 2.596 5.896
56 HB3 LEU 663 HB1 LEU 663 23.728 3.191 5.842
57 HG LEU 663 HG LEU 663 21.793 4.019 3.699
58 HD11 LEU 663 HD11 LEU 663 22.109 5.503 6.317
59 HD12 LEU 663 HD12 LEU 663 20.774 4.390 6.014
60 HD13 LEU 663 HD13 LEU 663 20.963 5.831 5.017
61 HD21 LEU 663 HD21 LEU 663 23.995 4.739 3.263
62 HD22 LEU 663 HD22 LEU 663 24.322 5.067 4.964
63 HD23 LEU 663 HD23 LEU 663 23.267 6.142 4.046
64 H ASP 664 HN ASP 664 22.214 -0.227 5.089
65 HA ASP 664 HA ASP 664 24.508 -1.183 6.580
66 HB2 ASP 664 HB2 ASP 664 21.995 -2.539 5.536
67 HB3 ASP 664 HB1 ASP 664 23.083 -3.232 6.741
68 H SER 665 HN SER 665 23.303 -1.583 3.302
69 HA SER 665 HA SER 665 25.288 -3.692 2.678
70 HB2 SER 665 HB2 SER 665 22.739 -3.322 1.923
71 HB3 SER 665 HB1 SER 665 23.526 -2.404 0.642
72 HG SER 665 HG SER 665 23.245 -4.663 0.168
73 H TRP 666 HN TRP 666 24.759 -0.279 2.277
74 HA TRP 666 HA TRP 666 26.674 0.182 0.121
75 HB2 TRP 666 HB2 TRP 666 24.984 1.716 2.022
76 HB3 TRP 666 HB1 TRP 666 26.358 2.558 1.332
77 HD1 TRP 666 HD1 TRP 666 23.077 0.842 0.312
78 HE1 TRP 666 HE1 TRP 666 22.514 1.598 -2.098
79 HE3 TRP 666 HE3 TRP 666 27.298 3.385 -0.743
80 HZ2 TRP 666 HZ2 TRP 666 23.748 3.114 -4.215
81 HZ3 TRP 666 HZ3 TRP 666 27.625 4.490 -2.961
82 HH2 TRP 666 HH2 TRP 666 25.850 4.356 -4.692
83 H LYS 667 HN LYS 667 26.769 0.196 3.659
84 HA LYS 667 HA LYS 667 29.134 1.556 4.210
85 HB2 LYS 667 HB2 LYS 667 27.664 -0.769 5.351
86 HB3 LYS 667 HB1 LYS 667 29.318 -0.549 5.925
87 HG2 LYS 667 HG2 LYS 667 28.579 1.966 6.188
88 HG3 LYS 667 HG1 LYS 667 26.955 1.278 6.217
89 HD2 LYS 667 HD2 LYS 667 27.279 0.247 8.238
90 HD3 LYS 667 HD1 LYS 667 28.985 -0.067 7.921
91 HE2 LYS 667 HE2 LYS 667 29.656 1.991 8.740
92 HE3 LYS 667 HE1 LYS 667 28.142 2.788 8.260
93 HZ1 LYS 667 HZ1 LYS 667 28.476 0.817 10.461
94 HZ2 LYS 667 HZ2 LYS 667 26.987 1.457 9.951
95 HZ3 LYS 667 HZ3 LYS 667 28.161 2.475 10.640
96 H ASN 668 HN ASN 668 28.787 -1.591 2.681
97 HA ASN 668 HA ASN 668 31.564 -2.413 2.873
98 HB2 ASN 668 HB2 ASN 668 29.122 -3.117 1.264
99 HB3 ASN 668 HB1 ASN 668 30.687 -3.763 0.768
100 HD21 ASN 668 HD21 ASN 668 28.059 -4.665 2.507
101 HD22 ASN 668 HD22 ASN 668 28.793 -5.645 3.684
102 H LEU 669 HN LEU 669 29.696 -0.643 0.386
103 HA LEU 669 HA LEU 669 31.903 -0.382 -1.478
104 HB2 LEU 669 HB2 LEU 669 29.240 -0.059 -1.576
105 HB3 LEU 669 HB1 LEU 669 29.704 1.623 -1.312
106 HG LEU 669 HG LEU 669 31.342 0.198 -3.315
107 HD11 LEU 669 HD11 LEU 669 28.410 0.795 -3.812
108 HD12 LEU 669 HD12 LEU 669 29.178 -0.793 -3.854
109 HD13 LEU 669 HD13 LEU 669 29.585 0.416 -5.072
110 HD21 LEU 669 HD21 LEU 669 29.904 2.859 -3.137
111 HD22 LEU 669 HD22 LEU 669 30.841 2.361 -4.545
112 HD23 LEU 669 HD23 LEU 669 31.636 2.565 -2.985
113 H TRP 670 HN TRP 670 30.622 1.722 1.144
114 HA TRP 670 HA TRP 670 32.326 3.945 0.552
115 HB2 TRP 670 HB2 TRP 670 30.862 2.933 2.996
116 HB3 TRP 670 HB1 TRP 670 31.810 4.413 3.064
117 HD1 TRP 670 HD1 TRP 670 28.823 4.655 3.576
118 HE1 TRP 670 HE1 TRP 670 27.267 5.941 1.975
119 HE3 TRP 670 HE3 TRP 670 31.603 4.479 -0.720
120 HZ2 TRP 670 HZ2 TRP 670 27.206 6.785 -0.748
121 HZ3 TRP 670 HZ3 TRP 670 30.767 5.535 -2.792
122 HH2 TRP 670 HH2 TRP 670 28.573 6.686 -2.815
123 H ASN 671 HN ASN 671 32.836 0.989 2.407
124 HA ASN 671 HA ASN 671 35.353 1.906 3.574
125 HB2 ASN 671 HB2 ASN 671 33.647 -0.535 3.481
126 HB3 ASN 671 HB1 ASN 671 35.352 -0.776 3.862
127 HD21 ASN 671 HD21 ASN 671 32.993 -1.020 5.707
128 HD22 ASN 671 HD22 ASN 671 33.290 0.075 6.970
129 H TRP 672 HN TRP 672 34.340 0.255 0.665
130 HA TRP 672 HA TRP 672 36.585 -1.153 -0.195
131 HB2 TRP 672 HB2 TRP 672 34.284 0.246 -1.330
132 HB3 TRP 672 HB1 TRP 672 35.643 0.198 -2.446
133 HD1 TRP 672 HD1 TRP 672 34.721 -2.564 0.081
134 HE1 TRP 672 HE1 TRP 672 34.219 -4.716 -1.250
135 HE3 TRP 672 HE3 TRP 672 35.043 -0.735 -4.650
136 HZ2 TRP 672 HZ2 TRP 672 33.992 -5.550 -3.987
137 HZ3 TRP 672 HZ3 TRP 672 34.683 -2.217 -6.613
138 HH2 TRP 672 HH2 TRP 672 34.157 -4.620 -6.286
139 H PHE 673 HN PHE 673 35.926 2.258 -1.079
140 HA PHE 673 HA PHE 673 38.489 2.799 -2.207
141 HB2 PHE 673 HB2 PHE 673 36.445 4.592 -0.857
142 HB3 PHE 673 HB1 PHE 673 37.758 5.168 -1.883
143 HD1 PHE 673 HD2 PHE 673 37.934 3.879 -4.232
144 HD2 PHE 673 HD1 PHE 673 34.373 4.243 -1.858
145 HE1 PHE 673 HE2 PHE 673 36.548 3.456 -6.245
146 HE2 PHE 673 HE1 PHE 673 32.988 3.820 -3.871
147 HZ PHE 673 HZ PHE 673 34.075 3.427 -6.065
148 H ASN 674 HN ASN 674 40.097 1.961 -0.722
149 HA ASN 674 HA ASN 674 40.256 3.216 1.971
150 HB2 ASN 674 HB2 ASN 674 40.731 0.684 0.936
151 HB3 ASN 674 HB1 ASN 674 42.357 1.343 1.126
152 HD21 ASN 674 HD21 ASN 674 40.998 -0.777 2.777
153 HD22 ASN 674 HD22 ASN 674 41.028 -0.194 4.371
154 H ILE 675 HN ILE 675 40.686 5.212 0.236
155 HA ILE 675 HA ILE 675 43.129 5.607 -1.038
156 HB ILE 675 HB ILE 675 41.491 7.553 0.653
157 HG12 ILE 675 HG12 ILE 675 41.186 7.340 -2.298
158 HG13 ILE 675 HG11 ILE 675 40.506 6.033 -1.344
159 HG21 ILE 675 HG21 ILE 675 43.250 8.099 -1.754
160 HG22 ILE 675 HG22 ILE 675 43.719 8.421 -0.085
161 HG23 ILE 675 HG23 ILE 675 42.365 9.291 -0.805
162 HD11 ILE 675 HD11 ILE 675 39.424 7.857 0.099
163 HD12 ILE 675 HD12 ILE 675 38.758 7.631 -1.518
164 HD13 ILE 675 HD13 ILE 675 39.852 8.976 -1.195
165 H THR 676 HN THR 676 42.552 5.339 2.396
166 HA THR 676 HA THR 676 45.039 6.702 3.160
167 HB THR 676 HB THR 676 42.930 5.052 4.584
168 HG1 THR 676 HG1 THR 676 42.057 6.953 4.475
169 HG21 THR 676 HG21 THR 676 45.436 6.349 5.664
170 HG22 THR 676 HG22 THR 676 44.934 4.665 5.823
171 HG23 THR 676 HG23 THR 676 44.058 5.932 6.683
172 H ASN 677 HN ASN 677 43.975 3.474 2.394
173 HA ASN 677 HA ASN 677 46.230 2.053 3.584
174 HB2 ASN 677 HB2 ASN 677 43.704 1.505 2.668
175 HB3 ASN 677 HB1 ASN 677 44.696 0.875 1.353
176 HD21 ASN 677 HD21 ASN 677 43.905 0.475 4.782
177 HD22 ASN 677 HD22 ASN 677 44.714 -1.004 4.980
178 H TRP 678 HN TRP 678 45.255 2.734 0.218
179 HA TRP 678 HA TRP 678 47.637 1.685 -1.011
180 HB2 TRP 678 HB2 TRP 678 46.669 2.573 -2.983
181 HB3 TRP 678 HB1 TRP 678 45.278 2.307 -1.950
182 HD1 TRP 678 HD1 TRP 678 44.926 4.562 -0.244
183 HE1 TRP 678 HE1 TRP 678 44.721 6.995 -1.022
184 HE3 TRP 678 HE3 TRP 678 47.152 4.188 -4.743
185 HZ2 TRP 678 HZ2 TRP 678 45.419 8.603 -3.307
186 HZ3 TRP 678 HZ3 TRP 678 47.393 6.158 -6.240
187 HH2 TRP 678 HH2 TRP 678 46.528 8.372 -5.520
188 H LEU 679 HN LEU 679 47.005 4.628 0.666
189 HA LEU 679 HA LEU 679 48.970 6.338 -0.588
190 HB2 LEU 679 HB2 LEU 679 47.260 6.231 1.846
191 HB3 LEU 679 HB1 LEU 679 48.668 7.287 1.939
192 HG LEU 679 HG LEU 679 46.644 7.358 -0.303
193 HD11 LEU 679 HD11 LEU 679 46.094 8.079 2.231
194 HD12 LEU 679 HD12 LEU 679 45.463 8.956 0.839
195 HD13 LEU 679 HD13 LEU 679 46.892 9.553 1.685
196 HD21 LEU 679 HD21 LEU 679 48.491 8.376 -1.215
197 HD22 LEU 679 HD22 LEU 679 49.176 8.775 0.360
198 HD23 LEU 679 HD23 LEU 679 47.867 9.753 -0.306
199 H TRP 680 HN TRP 680 49.191 3.761 1.727
200 HA TRP 680 HA TRP 680 51.325 4.320 3.350
201 HB2 TRP 680 HB2 TRP 680 51.538 1.980 3.524
202 HB3 TRP 680 HB1 TRP 680 49.887 2.204 2.959
203 HD1 TRP 680 HD1 TRP 680 49.556 1.970 0.208
204 HE1 TRP 680 HE1 TRP 680 50.704 0.327 -1.411
205 HE3 TRP 680 HE3 TRP 680 53.595 0.632 3.031
206 HZ2 TRP 680 HZ2 TRP 680 53.030 -1.337 -1.496
207 HZ3 TRP 680 HZ3 TRP 680 55.260 -0.984 2.158
208 HH2 TRP 680 HH2 TRP 680 54.983 -1.969 -0.101
209 H TYR 681 HN TYR 681 51.493 3.618 -0.118
210 HA TYR 681 HA TYR 681 54.369 3.306 -0.227
211 HB2 TYR 681 HB2 TYR 681 53.882 2.676 -2.342
212 HB3 TYR 681 HB1 TYR 681 52.209 2.769 -1.821
213 HD1 TYR 681 HD2 TYR 681 54.939 4.884 -3.290
214 HD2 TYR 681 HD1 TYR 681 50.718 4.156 -2.963
215 HE1 TYR 681 HE2 TYR 681 54.507 6.601 -5.026
216 HE2 TYR 681 HE1 TYR 681 50.288 5.867 -4.706
217 HH TYR 681 HH TYR 681 51.822 6.845 -6.737
218 H ILE 682 HN ILE 682 52.268 6.161 -0.294
219 HA ILE 682 HA ILE 682 54.718 7.775 -0.840
220 HB ILE 682 HB ILE 682 52.654 9.496 -1.256
221 HG12 ILE 682 HG12 ILE 682 51.650 6.876 -2.361
222 HG13 ILE 682 HG11 ILE 682 51.060 7.552 -0.847
223 HG21 ILE 682 HG21 ILE 682 52.903 8.405 -3.746
224 HG22 ILE 682 HG22 ILE 682 54.348 7.783 -2.950
225 HG23 ILE 682 HG23 ILE 682 54.066 9.520 -3.031
226 HD11 ILE 682 HD11 ILE 682 51.070 9.137 -3.418
227 HD12 ILE 682 HD12 ILE 682 50.197 9.490 -1.927
228 HD13 ILE 682 HD13 ILE 682 49.704 8.131 -2.937
229 H LYS 683 HN LYS 683 51.658 8.875 0.461
230 HA LYS 683 HA LYS 683 53.073 10.095 2.752
231 HB2 LYS 683 HB2 LYS 683 50.460 10.322 1.336
232 HB3 LYS 683 HB1 LYS 683 50.474 10.769 3.043
233 HG2 LYS 683 HG2 LYS 683 52.722 11.818 1.414
234 HG3 LYS 683 HG1 LYS 683 51.132 12.494 1.058
235 HD2 LYS 683 HD2 LYS 683 51.604 13.892 2.795
236 HD3 LYS 683 HD1 LYS 683 51.099 12.523 3.787
237 HE2 LYS 683 HE2 LYS 683 53.177 12.745 4.731
238 HE3 LYS 683 HE1 LYS 683 53.737 11.900 3.274
239 HZ1 LYS 683 HZ1 LYS 683 53.440 14.842 3.588
240 HZ2 LYS 683 HZ2 LYS 683 53.892 14.054 2.152
241 HZ3 LYS 683 HZ3 LYS 683 54.907 13.992 3.513
Start of MODEL 7
1 H1 GLU 657 HT1 GLU 657 17.121 -10.481 2.422
2 H2 GLU 657 HT2 GLU 657 18.433 -9.401 2.396
3 H3 GLU 657 HT3 GLU 657 17.149 -9.211 1.298
4 HA GLU 657 HA GLU 657 15.650 -8.552 3.004
5 HB2 GLU 657 HB2 GLU 657 16.438 -8.683 5.373
6 HB3 GLU 657 HB1 GLU 657 16.407 -10.262 4.588
7 HG2 GLU 657 HG2 GLU 657 18.684 -10.469 4.614
8 HG3 GLU 657 HG1 GLU 657 18.946 -8.748 4.327
9 H LYS 658 HN LYS 658 16.947 -6.959 1.315
10 HA LYS 658 HA LYS 658 17.603 -4.596 2.893
11 HB2 LYS 658 HB2 LYS 658 19.953 -4.460 2.070
12 HB3 LYS 658 HB1 LYS 658 19.689 -5.883 3.079
13 HG2 LYS 658 HG2 LYS 658 19.405 -7.273 1.066
14 HG3 LYS 658 HG1 LYS 658 19.642 -5.854 0.046
15 HD2 LYS 658 HD2 LYS 658 21.746 -7.064 0.189
16 HD3 LYS 658 HD1 LYS 658 21.903 -5.552 1.086
17 HE2 LYS 658 HE2 LYS 658 21.498 -6.731 3.205
18 HE3 LYS 658 HE1 LYS 658 21.270 -8.256 2.326
19 HZ1 LYS 658 HZ1 LYS 658 23.702 -6.579 2.058
20 HZ2 LYS 658 HZ2 LYS 658 23.471 -8.168 1.503
21 HZ3 LYS 658 HZ3 LYS 658 23.587 -7.856 3.169
22 H ASP 659 HN ASP 659 17.275 -2.760 1.635
23 HA ASP 659 HA ASP 659 16.262 -3.133 -1.096
24 HB2 ASP 659 HB2 ASP 659 15.717 -1.464 0.991
25 HB3 ASP 659 HB1 ASP 659 16.757 -0.426 0.013
26 H LEU 660 HN LEU 660 17.178 -0.663 -2.210
27 HA LEU 660 HA LEU 660 19.861 -1.477 -3.096
28 HB2 LEU 660 HB2 LEU 660 18.099 0.870 -3.844
29 HB3 LEU 660 HB1 LEU 660 19.507 0.311 -4.743
30 HG LEU 660 HG LEU 660 17.129 -1.472 -4.179
31 HD11 LEU 660 HD11 LEU 660 16.662 -0.978 -6.681
32 HD12 LEU 660 HD12 LEU 660 17.651 0.461 -6.436
33 HD13 LEU 660 HD13 LEU 660 16.173 0.237 -5.500
34 HD21 LEU 660 HD21 LEU 660 19.624 -2.146 -4.968
35 HD22 LEU 660 HD22 LEU 660 18.919 -1.770 -6.539
36 HD23 LEU 660 HD23 LEU 660 18.189 -3.009 -5.520
37 H LEU 661 HN LEU 661 18.384 1.391 -1.651
38 HA LEU 661 HA LEU 661 20.962 2.676 -1.140
39 HB2 LEU 661 HB2 LEU 661 18.054 3.218 -0.644
40 HB3 LEU 661 HB1 LEU 661 19.285 4.243 0.086
41 HG LEU 661 HG LEU 661 18.226 4.632 -2.389
42 HD11 LEU 661 HD11 LEU 661 20.525 5.899 -2.748
43 HD12 LEU 661 HD12 LEU 661 20.794 5.409 -1.075
44 HD13 LEU 661 HD13 LEU 661 19.402 6.411 -1.487
45 HD21 LEU 661 HD21 LEU 661 19.303 2.607 -3.320
46 HD22 LEU 661 HD22 LEU 661 20.879 3.242 -2.849
47 HD23 LEU 661 HD23 LEU 661 19.923 4.075 -4.070
48 H ALA 662 HN ALA 662 20.008 0.034 0.276
49 HA ALA 662 HA ALA 662 19.628 0.544 3.042
50 HB1 ALA 662 HB1 ALA 662 20.517 -1.824 3.214
51 HB2 ALA 662 HB2 ALA 662 20.894 -1.739 1.493
52 HB3 ALA 662 HB3 ALA 662 19.220 -1.626 2.035
53 H LEU 663 HN LEU 663 21.036 1.965 3.989
54 HA LEU 663 HA LEU 663 23.757 2.414 3.426
55 HB2 LEU 663 HB2 LEU 663 23.788 3.392 5.700
56 HB3 LEU 663 HB1 LEU 663 22.292 3.801 4.862
57 HG LEU 663 HG LEU 663 21.520 1.492 6.025
58 HD11 LEU 663 HD11 LEU 663 22.472 1.895 8.474
59 HD12 LEU 663 HD12 LEU 663 23.843 2.559 7.586
60 HD13 LEU 663 HD13 LEU 663 23.346 0.887 7.321
61 HD21 LEU 663 HD21 LEU 663 20.151 3.339 6.395
62 HD22 LEU 663 HD22 LEU 663 21.489 4.349 6.941
63 HD23 LEU 663 HD23 LEU 663 20.830 3.110 8.007
64 H ASP 664 HN ASP 664 22.251 -0.174 5.201
65 HA ASP 664 HA ASP 664 24.588 -1.140 6.602
66 HB2 ASP 664 HB2 ASP 664 21.843 -2.053 5.886
67 HB3 ASP 664 HB1 ASP 664 23.003 -3.316 6.299
68 H SER 665 HN SER 665 23.296 -1.536 3.358
69 HA SER 665 HA SER 665 25.258 -3.650 2.680
70 HB2 SER 665 HB2 SER 665 23.239 -2.261 0.910
71 HB3 SER 665 HB1 SER 665 23.946 -3.859 0.686
72 HG SER 665 HG SER 665 22.108 -2.990 2.662
73 H TRP 666 HN TRP 666 24.699 -0.237 2.265
74 HA TRP 666 HA TRP 666 26.578 0.216 0.082
75 HB2 TRP 666 HB2 TRP 666 24.930 1.762 2.015
76 HB3 TRP 666 HB1 TRP 666 26.288 2.598 1.289
77 HD1 TRP 666 HD1 TRP 666 22.990 0.867 0.347
78 HE1 TRP 666 HE1 TRP 666 22.368 1.621 -2.051
79 HE3 TRP 666 HE3 TRP 666 27.175 3.428 -0.804
80 HZ2 TRP 666 HZ2 TRP 666 23.548 3.141 -4.196
81 HZ3 TRP 666 HZ3 TRP 666 27.447 4.534 -3.031
82 HH2 TRP 666 HH2 TRP 666 25.634 4.390 -4.720
83 H LYS 667 HN LYS 667 26.747 0.222 3.617
84 HA LYS 667 HA LYS 667 29.156 1.567 4.091
85 HB2 LYS 667 HB2 LYS 667 27.775 -0.819 5.305
86 HB3 LYS 667 HB1 LYS 667 29.342 -0.313 5.939
87 HG2 LYS 667 HG2 LYS 667 27.291 1.812 5.523
88 HG3 LYS 667 HG1 LYS 667 27.045 0.705 6.874
89 HD2 LYS 667 HD2 LYS 667 28.374 2.271 7.925
90 HD3 LYS 667 HD1 LYS 667 29.636 1.220 7.279
91 HE2 LYS 667 HE2 LYS 667 30.291 2.759 5.695
92 HE3 LYS 667 HE1 LYS 667 28.643 3.382 5.474
93 HZ1 LYS 667 HZ1 LYS 667 30.035 4.964 6.690
94 HZ2 LYS 667 HZ2 LYS 667 30.330 3.795 7.888
95 HZ3 LYS 667 HZ3 LYS 667 28.759 4.398 7.655
96 H ASN 668 HN ASN 668 28.679 -1.673 2.759
97 HA ASN 668 HA ASN 668 31.430 -2.566 2.895
98 HB2 ASN 668 HB2 ASN 668 28.948 -3.242 1.320
99 HB3 ASN 668 HB1 ASN 668 30.485 -4.001 0.906
100 HD21 ASN 668 HD21 ASN 668 27.881 -3.957 3.237
101 HD22 ASN 668 HD22 ASN 668 28.493 -5.183 4.240
102 H LEU 669 HN LEU 669 29.706 -0.434 0.697
103 HA LEU 669 HA LEU 669 31.855 -0.472 -1.336
104 HB2 LEU 669 HB2 LEU 669 29.223 -0.134 -1.477
105 HB3 LEU 669 HB1 LEU 669 29.658 1.550 -1.180
106 HG LEU 669 HG LEU 669 31.338 0.174 -3.187
107 HD11 LEU 669 HD11 LEU 669 28.842 -0.606 -3.470
108 HD12 LEU 669 HD12 LEU 669 29.752 -0.059 -4.877
109 HD13 LEU 669 HD13 LEU 669 28.605 1.026 -4.092
110 HD21 LEU 669 HD21 LEU 669 30.042 2.843 -2.739
111 HD22 LEU 669 HD22 LEU 669 30.558 2.412 -4.370
112 HD23 LEU 669 HD23 LEU 669 31.734 2.463 -3.056
113 H TRP 670 HN TRP 670 30.664 1.702 1.260
114 HA TRP 670 HA TRP 670 32.328 3.920 0.570
115 HB2 TRP 670 HB2 TRP 670 30.978 2.942 3.092
116 HB3 TRP 670 HB1 TRP 670 31.885 4.446 3.078
117 HD1 TRP 670 HD1 TRP 670 28.890 4.572 3.688
118 HE1 TRP 670 HE1 TRP 670 27.248 5.787 2.117
119 HE3 TRP 670 HE3 TRP 670 31.566 4.459 -0.672
120 HZ2 TRP 670 HZ2 TRP 670 27.089 6.604 -0.611
121 HZ3 TRP 670 HZ3 TRP 670 30.643 5.466 -2.733
122 HH2 TRP 670 HH2 TRP 670 28.408 6.535 -2.710
123 H ASN 671 HN ASN 671 32.992 1.013 2.475
124 HA ASN 671 HA ASN 671 35.535 2.096 3.461
125 HB2 ASN 671 HB2 ASN 671 35.728 -0.094 4.504
126 HB3 ASN 671 HB1 ASN 671 34.058 0.446 4.665
127 HD21 ASN 671 HD21 ASN 671 36.167 -1.876 3.030
128 HD22 ASN 671 HD22 ASN 671 34.918 -2.822 2.379
129 H TRP 672 HN TRP 672 34.427 0.369 0.673
130 HA TRP 672 HA TRP 672 36.636 -1.086 -0.242
131 HB2 TRP 672 HB2 TRP 672 34.276 0.251 -1.294
132 HB3 TRP 672 HB1 TRP 672 35.592 0.284 -2.461
133 HD1 TRP 672 HD1 TRP 672 34.805 -2.547 0.044
134 HE1 TRP 672 HE1 TRP 672 34.374 -4.699 -1.308
135 HE3 TRP 672 HE3 TRP 672 35.054 -0.662 -4.673
136 HZ2 TRP 672 HZ2 TRP 672 34.169 -5.514 -4.051
137 HZ3 TRP 672 HZ3 TRP 672 34.741 -2.137 -6.648
138 HH2 TRP 672 HH2 TRP 672 34.298 -4.559 -6.341
139 H PHE 673 HN PHE 673 35.962 2.322 -1.130
140 HA PHE 673 HA PHE 673 38.622 2.745 -2.216
141 HB2 PHE 673 HB2 PHE 673 36.360 4.600 -1.406
142 HB3 PHE 673 HB1 PHE 673 37.778 5.108 -2.324
143 HD1 PHE 673 HD1 PHE 673 38.329 3.491 -4.411
144 HD2 PHE 673 HD2 PHE 673 34.461 4.024 -2.620
145 HE1 PHE 673 HE1 PHE 673 37.251 2.717 -6.505
146 HE2 PHE 673 HE2 PHE 673 33.384 3.249 -4.715
147 HZ PHE 673 HZ PHE 673 34.779 2.595 -6.658
148 H ASN 674 HN ASN 674 40.367 3.844 -1.236
149 HA ASN 674 HA ASN 674 40.304 3.963 1.728
150 HB2 ASN 674 HB2 ASN 674 42.104 3.038 -0.082
151 HB3 ASN 674 HB1 ASN 674 42.724 4.672 0.154
152 HD21 ASN 674 HD21 ASN 674 44.299 4.685 1.755
153 HD22 ASN 674 HD22 ASN 674 44.266 3.745 3.168
154 H ILE 675 HN ILE 675 38.734 5.986 0.508
155 HA ILE 675 HA ILE 675 40.171 8.455 0.089
156 HB ILE 675 HB ILE 675 37.319 8.020 1.040
157 HG12 ILE 675 HG12 ILE 675 37.754 6.536 -0.863
158 HG13 ILE 675 HG11 ILE 675 36.757 7.884 -1.384
159 HG21 ILE 675 HG21 ILE 675 37.522 10.305 0.969
160 HG22 ILE 675 HG22 ILE 675 37.217 10.033 -0.747
161 HG23 ILE 675 HG23 ILE 675 38.868 10.255 -0.169
162 HD11 ILE 675 HD11 ILE 675 38.759 9.043 -2.242
163 HD12 ILE 675 HD12 ILE 675 38.571 7.461 -2.998
164 HD13 ILE 675 HD13 ILE 675 39.761 7.690 -1.716
165 H THR 676 HN THR 676 38.893 6.822 2.950
166 HA THR 676 HA THR 676 38.801 8.918 4.826
167 HB THR 676 HB THR 676 39.999 6.233 5.485
168 HG1 THR 676 HG1 THR 676 38.443 5.411 4.329
169 HG21 THR 676 HG21 THR 676 38.080 6.537 7.255
170 HG22 THR 676 HG22 THR 676 38.160 8.229 6.761
171 HG23 THR 676 HG23 THR 676 39.586 7.438 7.433
172 H ASN 677 HN ASN 677 41.601 7.395 3.367
173 HA ASN 677 HA ASN 677 43.509 8.570 5.284
174 HB2 ASN 677 HB2 ASN 677 43.512 6.811 2.870
175 HB3 ASN 677 HB1 ASN 677 44.998 7.697 3.216
176 HD21 ASN 677 HD21 ASN 677 42.574 6.174 5.416
177 HD22 ASN 677 HD22 ASN 677 43.708 5.212 6.234
178 H TRP 678 HN TRP 678 41.864 9.492 2.408
179 HA TRP 678 HA TRP 678 43.815 11.506 1.522
180 HB2 TRP 678 HB2 TRP 678 41.346 10.177 0.642
181 HB3 TRP 678 HB1 TRP 678 41.387 11.883 0.230
182 HD1 TRP 678 HD1 TRP 678 43.507 8.711 -0.173
183 HE1 TRP 678 HE1 TRP 678 44.906 8.983 -2.340
184 HE3 TRP 678 HE3 TRP 678 42.198 13.428 -1.380
185 HZ2 TRP 678 HZ2 TRP 678 45.388 11.012 -4.340
186 HZ3 TRP 678 HZ3 TRP 678 43.116 14.549 -3.413
187 HH2 TRP 678 HH2 TRP 678 44.709 13.341 -4.890
188 H LEU 679 HN LEU 679 40.835 11.349 3.377
189 HA LEU 679 HA LEU 679 40.232 14.178 3.195
190 HB2 LEU 679 HB2 LEU 679 39.308 12.094 5.189
191 HB3 LEU 679 HB1 LEU 679 38.473 13.580 4.755
192 HG LEU 679 HG LEU 679 38.908 11.124 3.062
193 HD11 LEU 679 HD11 LEU 679 36.364 11.773 2.706
194 HD12 LEU 679 HD12 LEU 679 36.608 12.607 4.241
195 HD13 LEU 679 HD13 LEU 679 36.885 10.869 4.128
196 HD21 LEU 679 HD21 LEU 679 37.597 12.722 1.358
197 HD22 LEU 679 HD22 LEU 679 39.359 12.655 1.395
198 HD23 LEU 679 HD23 LEU 679 38.509 13.960 2.222
199 H TRP 680 HN TRP 680 42.297 12.290 5.257
200 HA TRP 680 HA TRP 680 42.342 13.706 7.664
201 HB2 TRP 680 HB2 TRP 680 44.396 12.620 7.972
202 HB3 TRP 680 HB1 TRP 680 43.649 11.638 6.720
203 HD1 TRP 680 HD1 TRP 680 44.284 12.628 4.097
204 HE1 TRP 680 HE1 TRP 680 46.637 13.231 3.234
205 HE3 TRP 680 HE3 TRP 680 46.698 13.335 8.541
206 HZ2 TRP 680 HZ2 TRP 680 49.204 13.923 4.289
207 HZ3 TRP 680 HZ3 TRP 680 49.094 13.967 8.583
208 HH2 TRP 680 HH2 TRP 680 50.350 14.262 6.465
209 H TYR 681 HN TYR 681 43.513 14.702 4.517
210 HA TYR 681 HA TYR 681 44.872 17.095 5.662
211 HB2 TYR 681 HB2 TYR 681 46.332 16.340 4.089
212 HB3 TYR 681 HB1 TYR 681 45.112 15.328 3.329
213 HD1 TYR 681 HD1 TYR 681 45.811 19.004 3.747
214 HD2 TYR 681 HD2 TYR 681 44.608 15.821 1.126
215 HE1 TYR 681 HE1 TYR 681 45.643 20.612 1.869
216 HE2 TYR 681 HE2 TYR 681 44.438 17.428 -0.751
217 HH TYR 681 HH TYR 681 44.079 19.902 -1.026
218 H ILE 682 HN ILE 682 41.992 16.160 3.840
219 HA ILE 682 HA ILE 682 41.343 19.059 3.686
220 HB ILE 682 HB ILE 682 39.833 17.954 1.714
221 HG12 ILE 682 HG12 ILE 682 42.444 16.451 1.536
222 HG13 ILE 682 HG11 ILE 682 40.994 15.728 2.230
223 HG21 ILE 682 HG21 ILE 682 42.699 18.909 1.548
224 HG22 ILE 682 HG22 ILE 682 41.246 19.899 1.410
225 HG23 ILE 682 HG23 ILE 682 41.638 18.725 0.152
226 HD11 ILE 682 HD11 ILE 682 40.999 15.102 -0.077
227 HD12 ILE 682 HD12 ILE 682 41.382 16.745 -0.591
228 HD13 ILE 682 HD13 ILE 682 39.792 16.378 0.079
229 H LYS 683 HN LYS 683 39.256 16.348 2.924
230 HA LYS 683 HA LYS 683 37.094 17.369 4.550
231 HB2 LYS 683 HB2 LYS 683 37.438 15.608 2.451
232 HB3 LYS 683 HB1 LYS 683 37.042 14.525 3.785
233 HG2 LYS 683 HG2 LYS 683 35.096 16.108 4.300
234 HG3 LYS 683 HG1 LYS 683 35.412 16.842 2.728
235 HD2 LYS 683 HD2 LYS 683 35.233 13.877 2.770
236 HD3 LYS 683 HD1 LYS 683 33.728 14.750 3.059
237 HE2 LYS 683 HE2 LYS 683 34.571 16.179 0.962
238 HE3 LYS 683 HE1 LYS 683 35.418 14.664 0.592
239 HZ1 LYS 683 HZ1 LYS 683 32.547 14.821 1.332
240 HZ2 LYS 683 HZ2 LYS 683 33.391 13.450 0.792
241 HZ3 LYS 683 HZ3 LYS 683 33.101 14.745 -0.268
Start of MODEL 8
1 H1 GLU 657 HT1 GLU 657 18.958 -8.043 -1.364
2 H2 GLU 657 HT2 GLU 657 19.239 -6.374 -1.226
3 H3 GLU 657 HT3 GLU 657 17.811 -6.941 -1.948
4 HA GLU 657 HA GLU 657 17.053 -7.851 0.155
5 HB2 GLU 657 HB2 GLU 657 19.899 -7.194 0.728
6 HB3 GLU 657 HB1 GLU 657 18.764 -6.965 2.060
7 HG2 GLU 657 HG2 GLU 657 17.969 -9.273 1.809
8 HG3 GLU 657 HG1 GLU 657 19.054 -9.512 0.439
9 H LYS 658 HN LYS 658 15.467 -6.448 0.790
10 HA LYS 658 HA LYS 658 14.337 -4.416 1.216
11 HB2 LYS 658 HB2 LYS 658 17.133 -3.783 2.219
12 HB3 LYS 658 HB1 LYS 658 15.676 -2.891 2.654
13 HG2 LYS 658 HG2 LYS 658 14.703 -4.937 3.625
14 HG3 LYS 658 HG1 LYS 658 16.157 -5.837 3.189
15 HD2 LYS 658 HD2 LYS 658 16.432 -3.340 4.827
16 HD3 LYS 658 HD1 LYS 658 15.907 -4.828 5.616
17 HE2 LYS 658 HE2 LYS 658 17.927 -5.968 4.543
18 HE3 LYS 658 HE1 LYS 658 18.499 -4.341 4.122
19 HZ1 LYS 658 HZ1 LYS 658 17.791 -5.314 6.841
20 HZ2 LYS 658 HZ2 LYS 658 18.204 -3.709 6.464
21 HZ3 LYS 658 HZ3 LYS 658 19.351 -4.949 6.282
22 H ASP 659 HN ASP 659 15.224 -1.763 1.097
23 HA ASP 659 HA ASP 659 15.089 -1.137 -1.672
24 HB2 ASP 659 HB2 ASP 659 15.572 0.198 0.910
25 HB3 ASP 659 HB1 ASP 659 16.292 1.035 -0.466
26 H LEU 660 HN LEU 660 16.953 0.360 -2.652
27 HA LEU 660 HA LEU 660 19.387 -1.320 -2.728
28 HB2 LEU 660 HB2 LEU 660 18.404 1.050 -4.345
29 HB3 LEU 660 HB1 LEU 660 19.873 0.141 -4.706
30 HG LEU 660 HG LEU 660 17.986 -1.860 -4.455
31 HD11 LEU 660 HD11 LEU 660 15.932 -1.207 -5.218
32 HD12 LEU 660 HD12 LEU 660 16.608 0.021 -6.290
33 HD13 LEU 660 HD13 LEU 660 16.424 0.357 -4.568
34 HD21 LEU 660 HD21 LEU 660 19.495 -2.017 -6.232
35 HD22 LEU 660 HD22 LEU 660 19.190 -0.365 -6.766
36 HD23 LEU 660 HD23 LEU 660 17.999 -1.626 -7.079
37 H LEU 661 HN LEU 661 18.307 1.766 -1.554
38 HA LEU 661 HA LEU 661 21.008 2.853 -1.168
39 HB2 LEU 661 HB2 LEU 661 18.170 3.663 -0.632
40 HB3 LEU 661 HB1 LEU 661 19.503 4.593 0.042
41 HG LEU 661 HG LEU 661 18.417 4.979 -2.437
42 HD11 LEU 661 HD11 LEU 661 21.206 5.559 -1.426
43 HD12 LEU 661 HD12 LEU 661 19.787 6.600 -1.298
44 HD13 LEU 661 HD13 LEU 661 20.523 6.300 -2.873
45 HD21 LEU 661 HD21 LEU 661 20.072 4.277 -4.108
46 HD22 LEU 661 HD22 LEU 661 19.373 2.869 -3.313
47 HD23 LEU 661 HD23 LEU 661 20.986 3.427 -2.865
48 H ALA 662 HN ALA 662 19.916 0.332 0.308
49 HA ALA 662 HA ALA 662 19.581 0.909 3.067
50 HB1 ALA 662 HB1 ALA 662 20.326 -1.400 1.334
51 HB2 ALA 662 HB2 ALA 662 19.042 -1.271 2.536
52 HB3 ALA 662 HB3 ALA 662 20.706 -1.549 3.050
53 H LEU 663 HN LEU 663 21.068 2.252 3.993
54 HA LEU 663 HA LEU 663 23.804 2.555 3.410
55 HB2 LEU 663 HB2 LEU 663 23.899 3.548 5.675
56 HB3 LEU 663 HB1 LEU 663 22.422 4.027 4.840
57 HG LEU 663 HG LEU 663 21.542 1.768 6.029
58 HD11 LEU 663 HD11 LEU 663 24.011 1.874 7.115
59 HD12 LEU 663 HD12 LEU 663 22.619 1.226 7.981
60 HD13 LEU 663 HD13 LEU 663 23.145 2.884 8.274
61 HD21 LEU 663 HD21 LEU 663 21.692 4.265 7.696
62 HD22 LEU 663 HD22 LEU 663 20.321 3.189 7.428
63 HD23 LEU 663 HD23 LEU 663 20.831 4.300 6.158
64 H ASP 664 HN ASP 664 22.184 0.060 5.218
65 HA ASP 664 HA ASP 664 24.469 -1.004 6.628
66 HB2 ASP 664 HB2 ASP 664 21.703 -1.844 5.859
67 HB3 ASP 664 HB1 ASP 664 22.819 -3.111 6.371
68 H SER 665 HN SER 665 23.171 -1.384 3.380
69 HA SER 665 HA SER 665 25.063 -3.571 2.732
70 HB2 SER 665 HB2 SER 665 23.756 -3.706 0.700
71 HB3 SER 665 HB1 SER 665 22.629 -3.490 2.035
72 HG SER 665 HG SER 665 23.128 -1.890 -0.094
73 H TRP 666 HN TRP 666 24.674 -0.141 2.336
74 HA TRP 666 HA TRP 666 26.541 0.215 0.114
75 HB2 TRP 666 HB2 TRP 666 24.953 1.840 2.024
76 HB3 TRP 666 HB1 TRP 666 26.342 2.619 1.293
77 HD1 TRP 666 HD1 TRP 666 22.979 1.013 0.371
78 HE1 TRP 666 HE1 TRP 666 22.397 1.739 -2.042
79 HE3 TRP 666 HE3 TRP 666 27.273 3.368 -0.822
80 HZ2 TRP 666 HZ2 TRP 666 23.643 3.163 -4.216
81 HZ3 TRP 666 HZ3 TRP 666 27.596 4.413 -3.071
82 HH2 TRP 666 HH2 TRP 666 25.780 4.311 -4.762
83 H LYS 667 HN LYS 667 26.749 0.240 3.649
84 HA LYS 667 HA LYS 667 29.180 1.541 4.099
85 HB2 LYS 667 HB2 LYS 667 27.701 -0.754 5.324
86 HB3 LYS 667 HB1 LYS 667 29.347 -0.461 5.887
87 HG2 LYS 667 HG2 LYS 667 28.516 2.048 6.020
88 HG3 LYS 667 HG1 LYS 667 26.926 1.290 6.121
89 HD2 LYS 667 HD2 LYS 667 27.393 0.259 8.149
90 HD3 LYS 667 HD1 LYS 667 29.133 0.243 7.859
91 HE2 LYS 667 HE2 LYS 667 27.734 2.892 8.134
92 HE3 LYS 667 HE1 LYS 667 28.140 1.965 9.592
93 HZ1 LYS 667 HZ1 LYS 667 30.029 2.635 7.396
94 HZ2 LYS 667 HZ2 LYS 667 30.407 1.754 8.800
95 HZ3 LYS 667 HZ3 LYS 667 29.984 3.397 8.911
96 H ASN 668 HN ASN 668 28.678 -1.691 2.743
97 HA ASN 668 HA ASN 668 31.429 -2.576 2.873
98 HB2 ASN 668 HB2 ASN 668 30.550 -4.428 1.827
99 HB3 ASN 668 HB1 ASN 668 29.017 -3.687 2.276
100 HD21 ASN 668 HD21 ASN 668 28.367 -1.868 0.485
101 HD22 ASN 668 HD22 ASN 668 28.485 -2.411 -1.119
102 H LEU 669 HN LEU 669 29.712 -0.445 0.677
103 HA LEU 669 HA LEU 669 31.860 -0.476 -1.357
104 HB2 LEU 669 HB2 LEU 669 29.223 -0.139 -1.486
105 HB3 LEU 669 HB1 LEU 669 29.666 1.546 -1.204
106 HG LEU 669 HG LEU 669 31.322 0.137 -3.210
107 HD11 LEU 669 HD11 LEU 669 29.619 0.312 -4.974
108 HD12 LEU 669 HD12 LEU 669 28.430 0.845 -3.787
109 HD13 LEU 669 HD13 LEU 669 29.082 -0.791 -3.708
110 HD21 LEU 669 HD21 LEU 669 31.739 2.437 -3.022
111 HD22 LEU 669 HD22 LEU 669 30.031 2.827 -2.820
112 HD23 LEU 669 HD23 LEU 669 30.648 2.368 -4.406
113 H TRP 670 HN TRP 670 30.664 1.701 1.235
114 HA TRP 670 HA TRP 670 32.326 3.920 0.540
115 HB2 TRP 670 HB2 TRP 670 30.958 2.946 3.054
116 HB3 TRP 670 HB1 TRP 670 31.877 4.444 3.053
117 HD1 TRP 670 HD1 TRP 670 28.895 4.619 3.650
118 HE1 TRP 670 HE1 TRP 670 27.267 5.842 2.072
119 HE3 TRP 670 HE3 TRP 670 31.562 4.437 -0.714
120 HZ2 TRP 670 HZ2 TRP 670 27.112 6.638 -0.662
121 HZ3 TRP 670 HZ3 TRP 670 30.647 5.439 -2.781
122 HH2 TRP 670 HH2 TRP 670 28.426 6.536 -2.764
123 H ASN 671 HN ASN 671 32.982 1.025 2.466
124 HA ASN 671 HA ASN 671 35.511 2.105 3.480
125 HB2 ASN 671 HB2 ASN 671 35.694 -0.086 4.511
126 HB3 ASN 671 HB1 ASN 671 34.015 0.435 4.639
127 HD21 ASN 671 HD21 ASN 671 36.191 -1.808 2.956
128 HD22 ASN 671 HD22 ASN 671 34.962 -2.780 2.302
129 H TRP 672 HN TRP 672 34.448 0.338 0.684
130 HA TRP 672 HA TRP 672 36.687 -1.081 -0.196
131 HB2 TRP 672 HB2 TRP 672 34.337 0.258 -1.303
132 HB3 TRP 672 HB1 TRP 672 35.667 0.206 -2.453
133 HD1 TRP 672 HD1 TRP 672 34.859 -2.514 0.160
134 HE1 TRP 672 HE1 TRP 672 34.357 -4.703 -1.109
135 HE3 TRP 672 HE3 TRP 672 35.019 -0.788 -4.619
136 HZ2 TRP 672 HZ2 TRP 672 34.067 -5.602 -3.819
137 HZ3 TRP 672 HZ3 TRP 672 34.629 -2.319 -6.538
138 HH2 TRP 672 HH2 TRP 672 34.153 -4.722 -6.141
139 H PHE 673 HN PHE 673 35.966 2.298 -1.145
140 HA PHE 673 HA PHE 673 38.491 2.835 -2.357
141 HB2 PHE 673 HB2 PHE 673 36.444 4.626 -1.005
142 HB3 PHE 673 HB1 PHE 673 37.743 5.212 -2.044
143 HD1 PHE 673 HD1 PHE 673 37.923 4.002 -4.400
144 HD2 PHE 673 HD2 PHE 673 34.381 4.130 -1.974
145 HE1 PHE 673 HE1 PHE 673 36.536 3.534 -6.401
146 HE2 PHE 673 HE2 PHE 673 32.993 3.664 -3.976
147 HZ PHE 673 HZ PHE 673 34.071 3.365 -6.189
148 H ASN 674 HN ASN 674 40.236 2.195 -1.004
149 HA ASN 674 HA ASN 674 40.418 3.124 1.775
150 HB2 ASN 674 HB2 ASN 674 41.272 0.938 0.966
151 HB3 ASN 674 HB1 ASN 674 42.407 1.782 -0.088
152 HD21 ASN 674 HD21 ASN 674 41.494 2.526 3.317
153 HD22 ASN 674 HD22 ASN 674 43.074 2.390 3.925
154 H ILE 675 HN ILE 675 40.111 5.445 0.522
155 HA ILE 675 HA ILE 675 42.450 6.634 -0.643
156 HB ILE 675 HB ILE 675 41.154 8.719 -0.195
157 HG12 ILE 675 HG12 ILE 675 38.709 7.541 0.605
158 HG13 ILE 675 HG11 ILE 675 39.928 7.006 1.752
159 HG21 ILE 675 HG21 ILE 675 40.782 7.221 -2.185
160 HG22 ILE 675 HG22 ILE 675 39.369 8.171 -1.724
161 HG23 ILE 675 HG23 ILE 675 39.463 6.463 -1.292
162 HD11 ILE 675 HD11 ILE 675 39.005 9.787 1.137
163 HD12 ILE 675 HD12 ILE 675 40.664 9.539 1.681
164 HD13 ILE 675 HD13 ILE 675 39.317 9.034 2.701
165 H THR 676 HN THR 676 41.324 6.298 2.698
166 HA THR 676 HA THR 676 42.834 8.273 4.010
167 HB THR 676 HB THR 676 42.610 5.466 5.082
168 HG1 THR 676 HG1 THR 676 40.599 5.497 4.497
169 HG21 THR 676 HG21 THR 676 42.166 6.581 7.146
170 HG22 THR 676 HG22 THR 676 41.872 8.116 6.330
171 HG23 THR 676 HG23 THR 676 43.504 7.453 6.399
172 H ASN 677 HN ASN 677 43.944 5.321 2.485
173 HA ASN 677 HA ASN 677 46.615 5.437 3.737
174 HB2 ASN 677 HB2 ASN 677 45.047 3.465 2.706
175 HB3 ASN 677 HB1 ASN 677 46.074 3.805 1.313
176 HD21 ASN 677 HD21 ASN 677 46.307 3.106 4.841
177 HD22 ASN 677 HD22 ASN 677 47.805 2.315 4.735
178 H TRP 678 HN TRP 678 44.976 6.737 0.996
179 HA TRP 678 HA TRP 678 47.345 7.194 -0.668
180 HB2 TRP 678 HB2 TRP 678 44.422 7.425 -0.745
181 HB3 TRP 678 HB1 TRP 678 45.224 8.762 -1.550
182 HD1 TRP 678 HD1 TRP 678 45.151 4.927 -1.577
183 HE1 TRP 678 HE1 TRP 678 45.818 4.154 -3.961
184 HE3 TRP 678 HE3 TRP 678 46.256 9.416 -3.593
185 HZ2 TRP 678 HZ2 TRP 678 46.721 5.352 -6.430
186 HZ3 TRP 678 HZ3 TRP 678 47.022 9.620 -5.961
187 HH2 TRP 678 HH2 TRP 678 47.252 7.590 -7.376
188 H LEU 679 HN LEU 679 45.494 8.939 1.741
189 HA LEU 679 HA LEU 679 46.406 11.580 0.936
190 HB2 LEU 679 HB2 LEU 679 45.181 10.615 3.530
191 HB3 LEU 679 HB1 LEU 679 45.152 12.255 2.895
192 HG LEU 679 HG LEU 679 43.746 9.818 1.804
193 HD11 LEU 679 HD11 LEU 679 41.791 11.356 1.967
194 HD12 LEU 679 HD12 LEU 679 42.851 12.556 2.706
195 HD13 LEU 679 HD13 LEU 679 42.551 11.022 3.523
196 HD21 LEU 679 HD21 LEU 679 44.420 12.431 0.455
197 HD22 LEU 679 HD22 LEU 679 42.969 11.534 0.008
198 HD23 LEU 679 HD23 LEU 679 44.556 10.793 -0.187
199 H TRP 680 HN TRP 680 47.764 9.101 2.925
200 HA TRP 680 HA TRP 680 49.186 10.441 4.900
201 HB2 TRP 680 HB2 TRP 680 50.604 8.527 4.858
202 HB3 TRP 680 HB1 TRP 680 49.047 7.967 4.269
203 HD1 TRP 680 HD1 TRP 680 48.918 8.407 1.370
204 HE1 TRP 680 HE1 TRP 680 50.648 7.517 -0.322
205 HE3 TRP 680 HE3 TRP 680 52.904 7.698 4.481
206 HZ2 TRP 680 HZ2 TRP 680 53.365 6.623 -0.349
207 HZ3 TRP 680 HZ3 TRP 680 55.049 6.827 3.596
208 HH2 TRP 680 HH2 TRP 680 55.285 6.289 1.188
209 H TYR 681 HN TYR 681 49.730 10.577 1.437
210 HA TYR 681 HA TYR 681 52.348 11.956 1.785
211 HB2 TYR 681 HB2 TYR 681 52.836 11.117 -0.292
212 HB3 TYR 681 HB1 TYR 681 51.603 9.952 0.166
213 HD1 TYR 681 HD1 TYR 681 49.086 11.294 -0.190
214 HD2 TYR 681 HD2 TYR 681 52.653 11.625 -2.555
215 HE1 TYR 681 HE1 TYR 681 47.723 11.974 -2.144
216 HE2 TYR 681 HE2 TYR 681 51.291 12.311 -4.511
217 HH TYR 681 HH TYR 681 49.097 13.316 -4.959
218 H ILE 682 HN ILE 682 49.098 12.910 1.461
219 HA ILE 682 HA ILE 682 49.516 15.123 -0.364
220 HB ILE 682 HB ILE 682 47.234 15.663 0.267
221 HG12 ILE 682 HG12 ILE 682 46.348 13.848 2.077
222 HG13 ILE 682 HG11 ILE 682 47.985 14.116 2.668
223 HG21 ILE 682 HG21 ILE 682 47.475 13.804 -1.265
224 HG22 ILE 682 HG22 ILE 682 46.165 13.441 -0.142
225 HG23 ILE 682 HG23 ILE 682 47.747 12.692 0.075
226 HD11 ILE 682 HD11 ILE 682 47.286 16.670 2.213
227 HD12 ILE 682 HD12 ILE 682 46.976 15.864 3.750
228 HD13 ILE 682 HD13 ILE 682 45.690 16.000 2.550
229 H LYS 683 HN LYS 683 49.784 14.651 3.073
230 HA LYS 683 HA LYS 683 49.772 17.501 3.759
231 HB2 LYS 683 HB2 LYS 683 49.230 15.209 5.081
232 HB3 LYS 683 HB1 LYS 683 50.914 15.422 5.564
233 HG2 LYS 683 HG2 LYS 683 50.439 17.660 6.398
234 HG3 LYS 683 HG1 LYS 683 48.779 17.560 5.811
235 HD2 LYS 683 HD2 LYS 683 49.898 15.559 7.779
236 HD3 LYS 683 HD1 LYS 683 49.145 17.066 8.306
237 HE2 LYS 683 HE2 LYS 683 47.670 15.348 6.331
238 HE3 LYS 683 HE1 LYS 683 47.662 14.890 8.045
239 HZ1 LYS 683 HZ1 LYS 683 46.867 17.020 8.658
240 HZ2 LYS 683 HZ2 LYS 683 45.876 16.499 7.380
241 HZ3 LYS 683 HZ3 LYS 683 47.100 17.644 7.098
Start of MODEL 9
1 H1 GLU 657 HT1 GLU 657 19.386 -7.225 -1.621
2 H2 GLU 657 HT2 GLU 657 20.247 -8.571 -1.047
3 H3 GLU 657 HT3 GLU 657 20.815 -7.001 -0.736
4 HA GLU 657 HA GLU 657 18.392 -8.295 0.400
5 HB2 GLU 657 HB2 GLU 657 21.042 -7.251 1.442
6 HB3 GLU 657 HB1 GLU 657 19.718 -7.759 2.492
7 HG2 GLU 657 HG2 GLU 657 19.750 -9.992 1.326
8 HG3 GLU 657 HG1 GLU 657 21.207 -9.468 0.481
9 H LYS 658 HN LYS 658 16.909 -6.902 1.394
10 HA LYS 658 HA LYS 658 15.743 -4.875 1.749
11 HB2 LYS 658 HB2 LYS 658 18.625 -4.013 2.177
12 HB3 LYS 658 HB1 LYS 658 17.209 -3.118 2.730
13 HG2 LYS 658 HG2 LYS 658 16.771 -4.589 4.430
14 HG3 LYS 658 HG1 LYS 658 17.327 -5.984 3.504
15 HD2 LYS 658 HD2 LYS 658 19.636 -5.431 3.909
16 HD3 LYS 658 HD1 LYS 658 19.197 -3.873 4.607
17 HE2 LYS 658 HE2 LYS 658 18.360 -4.848 6.582
18 HE3 LYS 658 HE1 LYS 658 18.153 -6.435 5.816
19 HZ1 LYS 658 HZ1 LYS 658 20.487 -6.707 5.647
20 HZ2 LYS 658 HZ2 LYS 658 20.183 -6.220 7.246
21 HZ3 LYS 658 HZ3 LYS 658 20.788 -5.106 6.116
22 H ASP 659 HN ASP 659 16.067 -2.314 1.087
23 HA ASP 659 HA ASP 659 15.743 -2.177 -1.743
24 HB2 ASP 659 HB2 ASP 659 15.896 -0.397 0.590
25 HB3 ASP 659 HB1 ASP 659 16.464 0.366 -0.895
26 H LEU 660 HN LEU 660 17.232 -0.411 -2.968
27 HA LEU 660 HA LEU 660 19.887 -1.616 -3.146
28 HB2 LEU 660 HB2 LEU 660 18.596 0.771 -4.500
29 HB3 LEU 660 HB1 LEU 660 20.106 0.016 -5.009
30 HG LEU 660 HG LEU 660 17.616 -1.648 -4.724
31 HD11 LEU 660 HD11 LEU 660 17.123 0.360 -6.173
32 HD12 LEU 660 HD12 LEU 660 17.006 -1.186 -7.015
33 HD13 LEU 660 HD13 LEU 660 18.426 -0.165 -7.239
34 HD21 LEU 660 HD21 LEU 660 19.631 -2.896 -5.065
35 HD22 LEU 660 HD22 LEU 660 20.190 -1.782 -6.313
36 HD23 LEU 660 HD23 LEU 660 18.822 -2.850 -6.632
37 H LEU 661 HN LEU 661 18.491 1.317 -1.851
38 HA LEU 661 HA LEU 661 21.089 2.579 -1.319
39 HB2 LEU 661 HB2 LEU 661 18.180 3.177 -0.897
40 HB3 LEU 661 HB1 LEU 661 19.413 4.181 -0.142
41 HG LEU 661 HG LEU 661 18.418 4.558 -2.656
42 HD11 LEU 661 HD11 LEU 661 21.243 5.269 -1.854
43 HD12 LEU 661 HD12 LEU 661 19.822 6.058 -1.167
44 HD13 LEU 661 HD13 LEU 661 20.158 6.192 -2.894
45 HD21 LEU 661 HD21 LEU 661 19.533 2.532 -3.538
46 HD22 LEU 661 HD22 LEU 661 21.090 3.171 -3.010
47 HD23 LEU 661 HD23 LEU 661 20.178 3.997 -4.270
48 H ALA 662 HN ALA 662 20.106 -0.046 0.056
49 HA ALA 662 HA ALA 662 19.617 0.448 2.809
50 HB1 ALA 662 HB1 ALA 662 21.261 -1.901 2.063
51 HB2 ALA 662 HB2 ALA 662 19.777 -1.710 1.131
52 HB3 ALA 662 HB3 ALA 662 19.703 -1.841 2.888
53 H LEU 663 HN LEU 663 20.979 1.889 3.801
54 HA LEU 663 HA LEU 663 23.717 2.353 3.341
55 HB2 LEU 663 HB2 LEU 663 22.036 2.516 5.860
56 HB3 LEU 663 HB1 LEU 663 23.640 3.234 5.709
57 HG LEU 663 HG LEU 663 21.521 3.854 3.668
58 HD11 LEU 663 HD11 LEU 663 20.590 4.267 5.973
59 HD12 LEU 663 HD12 LEU 663 20.751 5.726 4.996
60 HD13 LEU 663 HD13 LEU 663 21.932 5.374 6.258
61 HD21 LEU 663 HD21 LEU 663 22.838 5.866 3.377
62 HD22 LEU 663 HD22 LEU 663 23.946 4.494 3.376
63 HD23 LEU 663 HD23 LEU 663 23.794 5.503 4.814
64 H ASP 664 HN ASP 664 22.174 -0.273 5.027
65 HA ASP 664 HA ASP 664 24.474 -1.183 6.538
66 HB2 ASP 664 HB2 ASP 664 21.863 -2.369 5.577
67 HB3 ASP 664 HB1 ASP 664 23.032 -3.342 6.471
68 H SER 665 HN SER 665 23.303 -1.610 3.255
69 HA SER 665 HA SER 665 25.308 -3.707 2.655
70 HB2 SER 665 HB2 SER 665 24.094 -3.813 0.533
71 HB3 SER 665 HB1 SER 665 22.935 -3.792 1.860
72 HG SER 665 HG SER 665 23.470 -1.907 -0.089
73 H TRP 666 HN TRP 666 24.766 -0.297 2.256
74 HA TRP 666 HA TRP 666 26.692 0.176 0.110
75 HB2 TRP 666 HB2 TRP 666 24.974 1.698 1.995
76 HB3 TRP 666 HB1 TRP 666 26.348 2.549 1.320
77 HD1 TRP 666 HD1 TRP 666 23.095 0.803 0.260
78 HE1 TRP 666 HE1 TRP 666 22.557 1.550 -2.157
79 HE3 TRP 666 HE3 TRP 666 27.305 3.387 -0.744
80 HZ2 TRP 666 HZ2 TRP 666 23.801 3.078 -4.260
81 HZ3 TRP 666 HZ3 TRP 666 27.648 4.494 -2.958
82 HH2 TRP 666 HH2 TRP 666 25.897 4.340 -4.711
83 H LYS 667 HN LYS 667 26.765 0.187 3.651
84 HA LYS 667 HA LYS 667 29.121 1.562 4.213
85 HB2 LYS 667 HB2 LYS 667 27.705 -0.819 5.341
86 HB3 LYS 667 HB1 LYS 667 29.322 -0.482 5.959
87 HG2 LYS 667 HG2 LYS 667 28.362 1.999 6.100
88 HG3 LYS 667 HG1 LYS 667 26.824 1.142 6.201
89 HD2 LYS 667 HD2 LYS 667 27.341 0.161 8.229
90 HD3 LYS 667 HD1 LYS 667 29.076 0.176 7.913
91 HE2 LYS 667 HE2 LYS 667 27.748 2.839 8.131
92 HE3 LYS 667 HE1 LYS 667 27.942 1.911 9.631
93 HZ1 LYS 667 HZ1 LYS 667 30.265 1.572 9.102
94 HZ2 LYS 667 HZ2 LYS 667 29.925 3.236 9.131
95 HZ3 LYS 667 HZ3 LYS 667 30.095 2.427 7.647
96 H ASN 668 HN ASN 668 28.793 -1.588 2.685
97 HA ASN 668 HA ASN 668 31.572 -2.398 2.885
98 HB2 ASN 668 HB2 ASN 668 29.134 -3.114 1.277
99 HB3 ASN 668 HB1 ASN 668 30.702 -3.750 0.775
100 HD21 ASN 668 HD21 ASN 668 28.422 -3.667 3.532
101 HD22 ASN 668 HD22 ASN 668 29.024 -5.069 4.277
102 H LEU 669 HN LEU 669 29.698 -0.650 0.387
103 HA LEU 669 HA LEU 669 31.903 -0.377 -1.474
104 HB2 LEU 669 HB2 LEU 669 29.252 -0.073 -1.599
105 HB3 LEU 669 HB1 LEU 669 29.680 1.609 -1.280
106 HG LEU 669 HG LEU 669 31.338 0.240 -3.320
107 HD11 LEU 669 HD11 LEU 669 29.080 -0.643 -3.834
108 HD12 LEU 669 HD12 LEU 669 29.640 0.477 -5.076
109 HD13 LEU 669 HD13 LEU 669 28.458 1.006 -3.879
110 HD21 LEU 669 HD21 LEU 669 30.990 2.449 -4.445
111 HD22 LEU 669 HD22 LEU 669 31.637 2.607 -2.812
112 HD23 LEU 669 HD23 LEU 669 29.929 2.920 -3.118
113 H TRP 670 HN TRP 670 30.621 1.723 1.151
114 HA TRP 670 HA TRP 670 32.326 3.948 0.562
115 HB2 TRP 670 HB2 TRP 670 30.865 2.929 3.007
116 HB3 TRP 670 HB1 TRP 670 31.814 4.408 3.077
117 HD1 TRP 670 HD1 TRP 670 28.825 4.646 3.595
118 HE1 TRP 670 HE1 TRP 670 27.267 5.938 2.001
119 HE3 TRP 670 HE3 TRP 670 31.601 4.490 -0.705
120 HZ2 TRP 670 HZ2 TRP 670 27.202 6.794 -0.719
121 HZ3 TRP 670 HZ3 TRP 670 30.762 5.555 -2.772
122 HH2 TRP 670 HH2 TRP 670 28.567 6.704 -2.787
123 H ASN 671 HN ASN 671 32.835 0.985 2.408
124 HA ASN 671 HA ASN 671 35.354 1.894 3.573
125 HB2 ASN 671 HB2 ASN 671 33.733 -0.628 3.396
126 HB3 ASN 671 HB1 ASN 671 35.399 -0.719 3.969
127 HD21 ASN 671 HD21 ASN 671 32.650 -0.922 5.413
128 HD22 ASN 671 HD22 ASN 671 32.812 0.148 6.721
129 H TRP 672 HN TRP 672 34.334 0.252 0.660
130 HA TRP 672 HA TRP 672 36.578 -1.155 -0.207
131 HB2 TRP 672 HB2 TRP 672 34.272 0.244 -1.334
132 HB3 TRP 672 HB1 TRP 672 35.627 0.199 -2.454
133 HD1 TRP 672 HD1 TRP 672 34.713 -2.567 0.073
134 HE1 TRP 672 HE1 TRP 672 34.209 -4.718 -1.260
135 HE3 TRP 672 HE3 TRP 672 35.023 -0.733 -4.656
136 HZ2 TRP 672 HZ2 TRP 672 33.975 -5.548 -3.998
137 HZ3 TRP 672 HZ3 TRP 672 34.658 -2.212 -6.621
138 HH2 TRP 672 HH2 TRP 672 34.133 -4.616 -6.295
139 H PHE 673 HN PHE 673 35.911 2.254 -1.083
140 HA PHE 673 HA PHE 673 38.470 2.799 -2.217
141 HB2 PHE 673 HB2 PHE 673 36.162 4.356 -1.106
142 HB3 PHE 673 HB1 PHE 673 37.647 5.223 -1.494
143 HD1 PHE 673 HD1 PHE 673 35.726 2.399 -3.064
144 HD2 PHE 673 HD2 PHE 673 37.580 6.239 -3.584
145 HE1 PHE 673 HE1 PHE 673 35.121 2.365 -5.468
146 HE2 PHE 673 HE2 PHE 673 36.974 6.205 -5.989
147 HZ PHE 673 HZ PHE 673 35.745 4.268 -6.930
148 H ASN 674 HN ASN 674 40.424 3.227 -1.252
149 HA ASN 674 HA ASN 674 40.523 3.359 1.724
150 HB2 ASN 674 HB2 ASN 674 41.878 1.877 -0.105
151 HB3 ASN 674 HB1 ASN 674 42.977 3.248 0.051
152 HD21 ASN 674 HD21 ASN 674 44.570 1.954 1.231
153 HD22 ASN 674 HD22 ASN 674 44.296 1.472 2.835
154 H ILE 675 HN ILE 675 39.589 5.732 0.541
155 HA ILE 675 HA ILE 675 41.627 7.649 -0.111
156 HB ILE 675 HB ILE 675 38.894 8.021 1.170
157 HG12 ILE 675 HG12 ILE 675 39.597 8.029 -1.775
158 HG13 ILE 675 HG11 ILE 675 38.966 6.609 -0.949
159 HG21 ILE 675 HG21 ILE 675 39.903 10.126 1.234
160 HG22 ILE 675 HG22 ILE 675 39.110 10.157 -0.340
161 HG23 ILE 675 HG23 ILE 675 40.841 9.832 -0.230
162 HD11 ILE 675 HD11 ILE 675 36.873 7.517 -0.677
163 HD12 ILE 675 HD12 ILE 675 37.348 8.383 -2.138
164 HD13 ILE 675 HD13 ILE 675 37.489 9.165 -0.564
165 H THR 676 HN THR 676 40.236 6.559 2.973
166 HA THR 676 HA THR 676 41.080 8.580 4.730
167 HB THR 676 HB THR 676 39.724 6.608 5.335
168 HG1 THR 676 HG1 THR 676 42.169 6.634 6.767
169 HG21 THR 676 HG21 THR 676 42.317 5.060 5.071
170 HG22 THR 676 HG22 THR 676 40.975 4.981 3.930
171 HG23 THR 676 HG23 THR 676 40.762 4.408 5.585
172 H ASN 677 HN ASN 677 43.035 6.219 3.034
173 HA ASN 677 HA ASN 677 45.444 6.715 4.660
174 HB2 ASN 677 HB2 ASN 677 44.747 5.182 2.146
175 HB3 ASN 677 HB1 ASN 677 46.411 5.313 2.715
176 HD21 ASN 677 HD21 ASN 677 46.845 4.475 4.969
177 HD22 ASN 677 HD22 ASN 677 45.866 3.232 5.584
178 H TRP 678 HN TRP 678 43.870 8.018 1.861
179 HA TRP 678 HA TRP 678 46.211 9.320 0.689
180 HB2 TRP 678 HB2 TRP 678 43.349 8.884 0.198
181 HB3 TRP 678 HB1 TRP 678 43.873 10.494 -0.265
182 HD1 TRP 678 HD1 TRP 678 44.780 6.815 -0.881
183 HE1 TRP 678 HE1 TRP 678 45.867 6.668 -3.226
184 HE3 TRP 678 HE3 TRP 678 44.907 11.728 -2.015
185 HZ2 TRP 678 HZ2 TRP 678 46.690 8.471 -5.328
186 HZ3 TRP 678 HZ3 TRP 678 45.839 12.532 -4.187
187 HH2 TRP 678 HH2 TRP 678 46.729 10.905 -5.840
188 H LEU 679 HN LEU 679 43.655 10.140 2.948
189 HA LEU 679 HA LEU 679 43.988 13.011 2.748
190 HB2 LEU 679 HB2 LEU 679 42.741 11.320 4.929
191 HB3 LEU 679 HB1 LEU 679 42.381 13.002 4.563
192 HG LEU 679 HG LEU 679 41.738 10.557 2.921
193 HD11 LEU 679 HD11 LEU 679 40.234 11.636 4.757
194 HD12 LEU 679 HD12 LEU 679 39.517 11.190 3.209
195 HD13 LEU 679 HD13 LEU 679 39.937 12.872 3.536
196 HD21 LEU 679 HD21 LEU 679 42.162 13.379 2.034
197 HD22 LEU 679 HD22 LEU 679 40.797 12.502 1.343
198 HD23 LEU 679 HD23 LEU 679 42.435 11.876 1.154
199 H TRP 680 HN TRP 680 45.598 10.518 4.555
200 HA TRP 680 HA TRP 680 46.480 11.805 6.877
201 HB2 TRP 680 HB2 TRP 680 47.344 9.651 5.080
202 HB3 TRP 680 HB1 TRP 680 48.680 10.383 5.965
203 HD1 TRP 680 HD1 TRP 680 45.858 8.003 6.353
204 HE1 TRP 680 HE1 TRP 680 45.648 7.259 8.812
205 HE3 TRP 680 HE3 TRP 680 48.981 11.384 8.566
206 HZ2 TRP 680 HZ2 TRP 680 46.671 8.001 11.379
207 HZ3 TRP 680 HZ3 TRP 680 49.345 11.343 11.017
208 HH2 TRP 680 HH2 TRP 680 48.195 9.657 12.425
209 H TYR 681 HN TYR 681 47.428 12.372 3.550
210 HA TYR 681 HA TYR 681 49.656 14.171 4.381
211 HB2 TYR 681 HB2 TYR 681 50.529 12.979 2.649
212 HB3 TYR 681 HB1 TYR 681 48.941 12.447 2.110
213 HD1 TYR 681 HD1 TYR 681 50.890 15.664 2.285
214 HD2 TYR 681 HD2 TYR 681 48.308 13.114 -0.013
215 HE1 TYR 681 HE1 TYR 681 50.992 17.263 0.393
216 HE2 TYR 681 HE2 TYR 681 48.409 14.713 -1.903
217 HH TYR 681 HH TYR 681 50.683 17.076 -2.190
218 H ILE 682 HN ILE 682 46.389 14.262 3.031
219 HA ILE 682 HA ILE 682 46.723 17.212 2.843
220 HB ILE 682 HB ILE 682 44.655 16.688 1.159
221 HG12 ILE 682 HG12 ILE 682 46.559 14.397 0.679
222 HG13 ILE 682 HG11 ILE 682 45.072 14.199 1.603
223 HG21 ILE 682 HG21 ILE 682 46.391 18.044 0.366
224 HG22 ILE 682 HG22 ILE 682 46.536 16.612 -0.652
225 HG23 ILE 682 HG23 ILE 682 47.623 16.832 0.720
226 HD11 ILE 682 HD11 ILE 682 43.926 15.338 -0.439
227 HD12 ILE 682 HD12 ILE 682 44.403 13.646 -0.579
228 HD13 ILE 682 HD13 ILE 682 45.402 14.906 -1.304
229 H LYS 683 HN LYS 683 43.765 15.363 2.510
230 HA LYS 683 HA LYS 683 42.337 17.039 4.384
231 HB2 LYS 683 HB2 LYS 683 41.741 15.308 2.331
232 HB3 LYS 683 HB1 LYS 683 41.245 14.372 3.740
233 HG2 LYS 683 HG2 LYS 683 39.880 16.272 4.527
234 HG3 LYS 683 HG1 LYS 683 40.369 17.206 3.113
235 HD2 LYS 683 HD2 LYS 683 39.342 15.530 1.632
236 HD3 LYS 683 HD1 LYS 683 38.869 14.572 3.035
237 HE2 LYS 683 HE2 LYS 683 37.687 16.783 3.825
238 HE3 LYS 683 HE1 LYS 683 37.775 17.216 2.106
239 HZ1 LYS 683 HZ1 LYS 683 36.741 15.140 1.527
240 HZ2 LYS 683 HZ2 LYS 683 35.753 15.942 2.653
241 HZ3 LYS 683 HZ3 LYS 683 36.724 14.639 3.147
Start of MODEL 10
1 H1 GLU 657 HT1 GLU 657 15.592 -9.399 2.237
2 H2 GLU 657 HT2 GLU 657 14.735 -8.127 1.505
3 H3 GLU 657 HT3 GLU 657 14.165 -8.819 2.948
4 HA GLU 657 HA GLU 657 15.218 -6.686 3.408
5 HB2 GLU 657 HB2 GLU 657 16.127 -9.352 4.345
6 HB3 GLU 657 HB1 GLU 657 17.141 -7.992 4.828
7 HG2 GLU 657 HG2 GLU 657 14.843 -6.872 5.454
8 HG3 GLU 657 HG1 GLU 657 14.265 -8.538 5.496
9 H LYS 658 HN LYS 658 16.066 -6.111 1.118
10 HA LYS 658 HA LYS 658 18.957 -5.722 1.270
11 HB2 LYS 658 HB2 LYS 658 17.710 -7.928 -0.257
12 HB3 LYS 658 HB1 LYS 658 18.890 -6.981 -1.163
13 HG2 LYS 658 HG2 LYS 658 20.255 -7.268 1.142
14 HG3 LYS 658 HG1 LYS 658 19.290 -8.743 1.200
15 HD2 LYS 658 HD2 LYS 658 21.115 -9.490 -0.023
16 HD3 LYS 658 HD1 LYS 658 20.056 -8.954 -1.328
17 HE2 LYS 658 HE2 LYS 658 21.229 -6.831 -1.495
18 HE3 LYS 658 HE1 LYS 658 22.206 -7.217 -0.063
19 HZ1 LYS 658 HZ1 LYS 658 23.174 -9.059 -1.166
20 HZ2 LYS 658 HZ2 LYS 658 23.286 -7.752 -2.245
21 HZ3 LYS 658 HZ3 LYS 658 22.099 -8.946 -2.472
22 H ASP 659 HN ASP 659 17.300 -3.674 1.154
23 HA ASP 659 HA ASP 659 16.226 -2.868 -1.366
24 HB2 ASP 659 HB2 ASP 659 17.238 -1.440 1.100
25 HB3 ASP 659 HB1 ASP 659 16.538 -0.555 -0.257
26 H LEU 660 HN LEU 660 17.324 -0.503 -2.126
27 HA LEU 660 HA LEU 660 19.940 -1.324 -3.251
28 HB2 LEU 660 HB2 LEU 660 18.185 1.077 -3.817
29 HB3 LEU 660 HB1 LEU 660 19.514 0.494 -4.818
30 HG LEU 660 HG LEU 660 17.930 -1.760 -4.544
31 HD11 LEU 660 HD11 LEU 660 16.281 0.213 -3.653
32 HD12 LEU 660 HD12 LEU 660 15.707 -1.233 -4.484
33 HD13 LEU 660 HD13 LEU 660 15.936 0.267 -5.382
34 HD21 LEU 660 HD21 LEU 660 19.025 -0.953 -6.603
35 HD22 LEU 660 HD22 LEU 660 17.851 0.358 -6.719
36 HD23 LEU 660 HD23 LEU 660 17.326 -1.315 -6.904
37 H LEU 661 HN LEU 661 18.533 1.558 -1.755
38 HA LEU 661 HA LEU 661 21.146 2.738 -1.189
39 HB2 LEU 661 HB2 LEU 661 18.253 3.385 -0.739
40 HB3 LEU 661 HB1 LEU 661 19.506 4.358 0.023
41 HG LEU 661 HG LEU 661 18.509 4.806 -2.469
42 HD11 LEU 661 HD11 LEU 661 21.367 5.399 -1.691
43 HD12 LEU 661 HD12 LEU 661 19.983 6.237 -0.990
44 HD13 LEU 661 HD13 LEU 661 20.313 6.371 -2.717
45 HD21 LEU 661 HD21 LEU 661 20.213 4.200 -4.123
46 HD22 LEU 661 HD22 LEU 661 19.535 2.748 -3.393
47 HD23 LEU 661 HD23 LEU 661 21.123 3.331 -2.891
48 H ALA 662 HN ALA 662 20.085 0.123 0.189
49 HA ALA 662 HA ALA 662 19.669 0.622 2.952
50 HB1 ALA 662 HB1 ALA 662 20.448 -1.768 3.132
51 HB2 ALA 662 HB2 ALA 662 20.927 -1.690 1.437
52 HB3 ALA 662 HB3 ALA 662 19.229 -1.525 1.882
53 H LEU 663 HN LEU 663 21.093 1.986 3.944
54 HA LEU 663 HA LEU 663 23.832 2.380 3.437
55 HB2 LEU 663 HB2 LEU 663 23.843 3.323 5.726
56 HB3 LEU 663 HB1 LEU 663 22.373 3.780 4.865
57 HG LEU 663 HG LEU 663 21.516 1.481 5.977
58 HD11 LEU 663 HD11 LEU 663 23.896 2.373 7.523
59 HD12 LEU 663 HD12 LEU 663 23.215 0.757 7.339
60 HD13 LEU 663 HD13 LEU 663 22.479 1.901 8.462
61 HD21 LEU 663 HD21 LEU 663 21.642 4.054 7.568
62 HD22 LEU 663 HD22 LEU 663 20.359 2.846 7.574
63 HD23 LEU 663 HD23 LEU 663 20.607 3.860 6.154
64 H ASP 664 HN ASP 664 22.242 -0.198 5.152
65 HA ASP 664 HA ASP 664 24.522 -1.227 6.594
66 HB2 ASP 664 HB2 ASP 664 21.999 -2.539 5.519
67 HB3 ASP 664 HB1 ASP 664 23.071 -3.257 6.721
68 H SER 665 HN SER 665 23.309 -1.583 3.309
69 HA SER 665 HA SER 665 25.287 -3.692 2.663
70 HB2 SER 665 HB2 SER 665 22.765 -3.416 1.928
71 HB3 SER 665 HB1 SER 665 23.448 -2.341 0.713
72 HG SER 665 HG SER 665 23.453 -5.037 0.828
73 H TRP 666 HN TRP 666 24.760 -0.275 2.273
74 HA TRP 666 HA TRP 666 26.678 0.186 0.119
75 HB2 TRP 666 HB2 TRP 666 24.991 1.721 2.021
76 HB3 TRP 666 HB1 TRP 666 26.364 2.560 1.332
77 HD1 TRP 666 HD1 TRP 666 23.084 0.846 0.310
78 HE1 TRP 666 HE1 TRP 666 22.515 1.613 -2.097
79 HE3 TRP 666 HE3 TRP 666 27.303 3.395 -0.742
80 HZ2 TRP 666 HZ2 TRP 666 23.747 3.138 -4.210
81 HZ3 TRP 666 HZ3 TRP 666 27.626 4.508 -2.956
82 HH2 TRP 666 HH2 TRP 666 25.847 4.381 -4.684
83 H LYS 667 HN LYS 667 26.771 0.198 3.658
84 HA LYS 667 HA LYS 667 29.138 1.555 4.209
85 HB2 LYS 667 HB2 LYS 667 27.666 -0.769 5.351
86 HB3 LYS 667 HB1 LYS 667 29.319 -0.548 5.925
87 HG2 LYS 667 HG2 LYS 667 28.683 1.913 6.306
88 HG3 LYS 667 HG1 LYS 667 27.010 1.393 6.100
89 HD2 LYS 667 HD2 LYS 667 27.231 -0.190 7.943
90 HD3 LYS 667 HD1 LYS 667 28.943 0.202 8.111
91 HE2 LYS 667 HE2 LYS 667 28.512 2.286 9.061
92 HE3 LYS 667 HE1 LYS 667 26.922 2.423 8.284
93 HZ1 LYS 667 HZ1 LYS 667 26.061 0.710 9.675
94 HZ2 LYS 667 HZ2 LYS 667 26.822 1.841 10.690
95 HZ3 LYS 667 HZ3 LYS 667 27.591 0.372 10.323
96 H ASN 668 HN ASN 668 28.785 -1.593 2.682
97 HA ASN 668 HA ASN 668 31.561 -2.420 2.873
98 HB2 ASN 668 HB2 ASN 668 29.133 -3.109 1.225
99 HB3 ASN 668 HB1 ASN 668 30.701 -3.793 0.795
100 HD21 ASN 668 HD21 ASN 668 28.008 -4.135 2.914
101 HD22 ASN 668 HD22 ASN 668 28.680 -5.307 3.941
102 H LEU 669 HN LEU 669 29.697 -0.641 0.393
103 HA LEU 669 HA LEU 669 31.904 -0.385 -1.473
104 HB2 LEU 669 HB2 LEU 669 29.249 -0.074 -1.592
105 HB3 LEU 669 HB1 LEU 669 29.691 1.609 -1.298
106 HG LEU 669 HG LEU 669 31.344 0.213 -3.318
107 HD11 LEU 669 HD11 LEU 669 28.381 0.634 -3.633
108 HD12 LEU 669 HD12 LEU 669 29.361 -0.750 -4.120
109 HD13 LEU 669 HD13 LEU 669 29.453 0.758 -5.028
110 HD21 LEU 669 HD21 LEU 669 31.389 2.346 -4.310
111 HD22 LEU 669 HD22 LEU 669 31.278 2.716 -2.589
112 HD23 LEU 669 HD23 LEU 669 29.839 2.809 -3.604
113 H TRP 670 HN TRP 670 30.621 1.722 1.146
114 HA TRP 670 HA TRP 670 32.324 3.946 0.552
115 HB2 TRP 670 HB2 TRP 670 30.860 2.934 2.996
116 HB3 TRP 670 HB1 TRP 670 31.811 4.411 3.067
117 HD1 TRP 670 HD1 TRP 670 28.827 4.662 3.581
118 HE1 TRP 670 HE1 TRP 670 27.274 5.955 1.985
119 HE3 TRP 670 HE3 TRP 670 31.602 4.483 -0.719
120 HZ2 TRP 670 HZ2 TRP 670 27.212 6.805 -0.738
121 HZ3 TRP 670 HZ3 TRP 670 30.767 5.546 -2.788
122 HH2 TRP 670 HH2 TRP 670 28.576 6.704 -2.806
123 H ASN 671 HN ASN 671 32.837 0.991 2.410
124 HA ASN 671 HA ASN 671 35.354 1.911 3.572
125 HB2 ASN 671 HB2 ASN 671 33.693 -0.575 3.446
126 HB3 ASN 671 HB1 ASN 671 35.383 -0.735 3.925
127 HD21 ASN 671 HD21 ASN 671 32.915 -1.032 5.630
128 HD22 ASN 671 HD22 ASN 671 33.104 0.091 6.890
129 H TRP 672 HN TRP 672 34.338 0.258 0.666
130 HA TRP 672 HA TRP 672 36.583 -1.152 -0.193
131 HB2 TRP 672 HB2 TRP 672 34.278 0.241 -1.328
132 HB3 TRP 672 HB1 TRP 672 35.635 0.195 -2.446
133 HD1 TRP 672 HD1 TRP 672 34.720 -2.565 0.089
134 HE1 TRP 672 HE1 TRP 672 34.222 -4.719 -1.238
135 HE3 TRP 672 HE3 TRP 672 35.038 -0.747 -4.647
136 HZ2 TRP 672 HZ2 TRP 672 33.997 -5.561 -3.973
137 HZ3 TRP 672 HZ3 TRP 672 34.681 -2.234 -6.607
138 HH2 TRP 672 HH2 TRP 672 34.159 -4.637 -6.273
139 H PHE 673 HN PHE 673 35.921 2.255 -1.082
140 HA PHE 673 HA PHE 673 38.480 2.794 -2.219
141 HB2 PHE 673 HB2 PHE 673 36.433 4.589 -0.877
142 HB3 PHE 673 HB1 PHE 673 37.744 5.164 -1.907
143 HD1 PHE 673 HD2 PHE 673 37.901 4.150 -4.295
144 HD2 PHE 673 HD1 PHE 673 34.387 3.939 -1.832
145 HE1 PHE 673 HE2 PHE 673 36.518 3.710 -6.305
146 HE2 PHE 673 HE1 PHE 673 33.004 3.500 -3.843
147 HZ PHE 673 HZ PHE 673 34.069 3.386 -6.080
148 H ASN 674 HN ASN 674 40.035 1.896 -0.676
149 HA ASN 674 HA ASN 674 40.307 3.434 1.879
150 HB2 ASN 674 HB2 ASN 674 41.193 0.712 0.904
151 HB3 ASN 674 HB1 ASN 674 41.848 1.424 2.378
152 HD21 ASN 674 HD21 ASN 674 39.953 -0.952 1.969
153 HD22 ASN 674 HD22 ASN 674 38.620 -0.600 2.960
154 H ILE 675 HN ILE 675 41.324 5.240 0.638
155 HA ILE 675 HA ILE 675 43.620 5.051 -1.009
156 HB ILE 675 HB ILE 675 43.513 7.270 0.991
157 HG12 ILE 675 HG12 ILE 675 41.124 6.953 0.759
158 HG13 ILE 675 HG11 ILE 675 41.583 8.329 -0.233
159 HG21 ILE 675 HG21 ILE 675 43.268 7.987 -1.804
160 HG22 ILE 675 HG22 ILE 675 44.575 6.826 -1.571
161 HG23 ILE 675 HG23 ILE 675 44.571 8.342 -0.672
162 HD11 ILE 675 HD11 ILE 675 40.845 7.325 -2.102
163 HD12 ILE 675 HD12 ILE 675 40.175 6.054 -1.080
164 HD13 ILE 675 HD13 ILE 675 41.790 5.879 -1.758
165 H THR 676 HN THR 676 43.391 5.095 2.541
166 HA THR 676 HA THR 676 46.134 5.305 3.165
167 HB THR 676 HB THR 676 43.920 3.643 4.425
168 HG1 THR 676 HG1 THR 676 44.859 6.259 4.983
169 HG21 THR 676 HG21 THR 676 45.322 4.092 6.516
170 HG22 THR 676 HG22 THR 676 46.625 4.537 5.414
171 HG23 THR 676 HG23 THR 676 45.960 2.903 5.381
172 H ASN 677 HN ASN 677 44.294 2.658 1.786
173 HA ASN 677 HA ASN 677 46.237 0.556 2.285
174 HB2 ASN 677 HB2 ASN 677 43.646 0.630 1.603
175 HB3 ASN 677 HB1 ASN 677 44.328 0.513 -0.020
176 HD21 ASN 677 HD21 ASN 677 44.724 -1.063 3.210
177 HD22 ASN 677 HD22 ASN 677 44.961 -2.621 2.580
178 H TRP 678 HN TRP 678 45.396 2.516 -0.611
179 HA TRP 678 HA TRP 678 47.826 1.510 -1.945
180 HB2 TRP 678 HB2 TRP 678 47.018 3.043 -3.798
181 HB3 TRP 678 HB1 TRP 678 46.085 1.627 -3.423
182 HD1 TRP 678 HD1 TRP 678 43.799 2.143 -1.886
183 HE1 TRP 678 HE1 TRP 678 42.165 4.114 -2.256
184 HE3 TRP 678 HE3 TRP 678 46.852 5.289 -4.413
185 HZ2 TRP 678 HZ2 TRP 678 42.188 6.726 -3.491
186 HZ3 TRP 678 HZ3 TRP 678 46.054 7.514 -5.193
187 HH2 TRP 678 HH2 TRP 678 43.723 8.232 -4.731
188 H LEU 679 HN LEU 679 46.963 4.168 -0.032
189 HA LEU 679 HA LEU 679 48.935 6.083 -0.992
190 HB2 LEU 679 HB2 LEU 679 47.289 5.650 1.501
191 HB3 LEU 679 HB1 LEU 679 48.530 6.898 1.473
192 HG LEU 679 HG LEU 679 46.184 6.674 -0.431
193 HD11 LEU 679 HD11 LEU 679 46.854 8.380 1.953
194 HD12 LEU 679 HD12 LEU 679 45.345 7.551 1.576
195 HD13 LEU 679 HD13 LEU 679 45.800 9.006 0.688
196 HD21 LEU 679 HD21 LEU 679 47.269 9.153 -0.789
197 HD22 LEU 679 HD22 LEU 679 47.641 7.764 -1.810
198 HD23 LEU 679 HD23 LEU 679 48.721 8.198 -0.486
199 H TRP 680 HN TRP 680 48.995 3.302 1.143
200 HA TRP 680 HA TRP 680 51.239 3.754 2.745
201 HB2 TRP 680 HB2 TRP 680 49.776 1.490 1.573
202 HB3 TRP 680 HB1 TRP 680 51.451 1.108 1.972
203 HD1 TRP 680 HD1 TRP 680 48.217 0.986 3.500
204 HE1 TRP 680 HE1 TRP 680 48.346 1.099 6.072
205 HE3 TRP 680 HE3 TRP 680 53.012 2.643 4.068
206 HZ2 TRP 680 HZ2 TRP 680 50.235 1.800 8.103
207 HZ3 TRP 680 HZ3 TRP 680 53.951 3.025 6.331
208 HH2 TRP 680 HH2 TRP 680 52.570 2.607 8.346
209 H TYR 681 HN TYR 681 51.104 3.242 -0.712
210 HA TYR 681 HA TYR 681 54.027 2.753 -0.908
211 HB2 TYR 681 HB2 TYR 681 53.075 1.374 -2.452
212 HB3 TYR 681 HB1 TYR 681 51.570 2.287 -2.462
213 HD1 TYR 681 HD1 TYR 681 55.150 2.813 -3.502
214 HD2 TYR 681 HD2 TYR 681 50.992 3.272 -4.474
215 HE1 TYR 681 HE1 TYR 681 55.769 3.820 -5.682
216 HE2 TYR 681 HE2 TYR 681 51.609 4.279 -6.652
217 HH TYR 681 HH TYR 681 53.885 5.615 -7.479
218 H ILE 682 HN ILE 682 51.668 5.342 -1.411
219 HA ILE 682 HA ILE 682 53.933 7.012 -2.381
220 HB ILE 682 HB ILE 682 51.735 8.290 -3.330
221 HG12 ILE 682 HG12 ILE 682 51.055 5.370 -3.677
222 HG13 ILE 682 HG11 ILE 682 50.338 6.352 -2.401
223 HG21 ILE 682 HG21 ILE 682 53.577 7.800 -4.755
224 HG22 ILE 682 HG22 ILE 682 52.191 6.991 -5.488
225 HG23 ILE 682 HG23 ILE 682 53.361 6.061 -4.552
226 HD11 ILE 682 HD11 ILE 682 49.187 7.711 -3.904
227 HD12 ILE 682 HD12 ILE 682 49.119 6.150 -4.721
228 HD13 ILE 682 HD13 ILE 682 50.299 7.359 -5.228
229 H LYS 683 HN LYS 683 50.702 8.058 -1.510
230 HA LYS 683 HA LYS 683 51.901 9.860 0.539
231 HB2 LYS 683 HB2 LYS 683 49.523 9.833 -1.267
232 HB3 LYS 683 HB1 LYS 683 49.362 10.704 0.259
233 HG2 LYS 683 HG2 LYS 683 50.219 12.368 -1.134
234 HG3 LYS 683 HG1 LYS 683 51.693 11.727 -0.407
235 HD2 LYS 683 HD2 LYS 683 51.749 10.107 -2.424
236 HD3 LYS 683 HD1 LYS 683 50.584 11.206 -3.164
237 HE2 LYS 683 HE2 LYS 683 52.168 12.800 -3.552
238 HE3 LYS 683 HE1 LYS 683 52.920 12.562 -1.963
239 HZ1 LYS 683 HZ1 LYS 683 53.188 10.784 -4.329
240 HZ2 LYS 683 HZ2 LYS 683 53.799 10.429 -2.783
241 HZ3 LYS 683 HZ3 LYS 683 54.405 11.754 -3.657