NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599774 |
2n8s   |
25864 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 4.609 5.824 14.213
2 H2 GLY 1 HT2 GLY 1 5.542 6.044 12.815
3 H3 GLY 1 HT3 GLY 1 5.461 4.518 13.550
4 HA2 GLY 1 HA1 GLY 1 4.075 4.576 11.577
5 HA3 GLY 1 HA2 GLY 1 3.110 4.353 13.033
6 H SER 2 HN SER 2 2.765 5.675 10.242
7 HA SER 2 HA SER 2 1.565 8.158 11.258
8 HB2 SER 2 HB2 SER 2 1.949 8.940 8.803
9 HB3 SER 2 HB1 SER 2 3.321 8.929 9.911
10 HG SER 2 HG SER 2 2.905 7.488 7.626
11 HA PRO 3 HA PRO 3 -2.181 6.424 9.684
12 HB2 PRO 3 HB2 PRO 3 -3.777 8.594 9.839
13 HB3 PRO 3 HB1 PRO 3 -3.208 7.738 11.275
14 HG2 PRO 3 HG2 PRO 3 -2.208 10.277 10.061
15 HG3 PRO 3 HG1 PRO 3 -2.424 9.862 11.769
16 HD2 PRO 3 HD2 PRO 3 -0.009 9.793 10.458
17 HD3 PRO 3 HD1 PRO 3 -0.390 8.826 11.897
18 H SER 4 HN SER 4 -1.950 5.908 7.554
19 HA SER 4 HA SER 4 -2.174 8.036 5.557
20 HB2 SER 4 HB2 SER 4 -1.610 5.083 5.155
21 HB3 SER 4 HB1 SER 4 -1.490 6.350 3.935
22 HG SER 4 HG SER 4 0.555 5.900 4.755
23 HA PRO 5 HA PRO 5 -6.510 6.907 5.214
24 HB2 PRO 5 HB2 PRO 5 -7.119 8.653 3.217
25 HB3 PRO 5 HB1 PRO 5 -6.974 9.136 4.912
26 HG2 PRO 5 HG2 PRO 5 -5.001 9.416 2.682
27 HG3 PRO 5 HG1 PRO 5 -5.404 10.560 3.976
28 HD2 PRO 5 HD2 PRO 5 -3.190 8.985 4.030
29 HD3 PRO 5 HD1 PRO 5 -4.030 9.524 5.496
30 H LEU 6 HN LEU 6 -5.811 4.818 4.409
31 HA LEU 6 HA LEU 6 -5.834 4.593 1.474
32 HB2 LEU 6 HB2 LEU 6 -4.660 2.753 3.564
33 HB3 LEU 6 HB1 LEU 6 -4.686 2.419 1.841
34 HG LEU 6 HG LEU 6 -3.269 4.755 3.119
35 HD11 LEU 6 HD11 LEU 6 -1.213 3.535 2.687
36 HD12 LEU 6 HD12 LEU 6 -2.134 2.174 2.046
37 HD13 LEU 6 HD13 LEU 6 -2.268 2.604 3.751
38 HD21 LEU 6 HD21 LEU 6 -3.952 5.193 0.827
39 HD22 LEU 6 HD22 LEU 6 -3.220 3.677 0.300
40 HD23 LEU 6 HD23 LEU 6 -2.203 4.978 0.918
41 HA PRO 7 HA PRO 7 -9.453 1.896 1.420
42 HB2 PRO 7 HB2 PRO 7 -8.152 -0.314 0.219
43 HB3 PRO 7 HB1 PRO 7 -9.120 0.906 -0.590
44 HG2 PRO 7 HG2 PRO 7 -6.197 0.656 -0.362
45 HG3 PRO 7 HG1 PRO 7 -7.161 1.428 -1.631
46 HD2 PRO 7 HD2 PRO 7 -5.746 2.850 0.173
47 HD3 PRO 7 HD1 PRO 7 -7.292 3.430 -0.485
48 HA PRO 8 HA PRO 8 -9.150 -0.644 5.021
49 HB2 PRO 8 HB2 PRO 8 -11.010 -2.476 3.589
50 HB3 PRO 8 HB1 PRO 8 -11.169 -1.727 5.183
51 HG2 PRO 8 HG2 PRO 8 -12.590 -0.790 3.162
52 HG3 PRO 8 HG1 PRO 8 -11.810 0.328 4.299
53 HD2 PRO 8 HD2 PRO 8 -10.939 -0.471 1.545
54 HD3 PRO 8 HD1 PRO 8 -10.965 1.140 2.292
55 H GLY 9 HN GLY 9 -7.606 -1.982 5.577
56 HA2 GLY 9 HA2 GLY 9 -6.582 -4.104 5.635
57 HA3 GLY 9 HA1 GLY 9 -7.147 -4.395 3.996
58 H TRP 10 HN TRP 10 -6.109 -1.526 3.417
59 HA TRP 10 HA TRP 10 -3.494 -2.467 2.573
60 HB2 TRP 10 HB2 TRP 10 -5.196 -0.091 1.911
61 HB3 TRP 10 HB1 TRP 10 -3.483 -0.080 1.514
62 HD1 TRP 10 HD1 TRP 10 -6.797 -1.574 0.388
63 HE1 TRP 10 HE1 TRP 10 -6.419 -2.848 -1.824
64 HE3 TRP 10 HE3 TRP 10 -1.699 -1.439 0.273
65 HZ2 TRP 10 HZ2 TRP 10 -4.198 -3.674 -3.407
66 HZ3 TRP 10 HZ3 TRP 10 -0.519 -2.489 -1.620
67 HH2 TRP 10 HH2 TRP 10 -1.748 -3.585 -3.419
68 H GLU 11 HN GLU 11 -1.553 -1.657 3.189
69 HA GLU 11 HA GLU 11 -1.473 0.609 5.028
70 HB2 GLU 11 HB2 GLU 11 0.226 -0.667 6.403
71 HB3 GLU 11 HB1 GLU 11 -1.445 -1.181 6.576
72 HG2 GLU 11 HG2 GLU 11 -1.079 -3.091 5.224
73 HG3 GLU 11 HG1 GLU 11 0.522 -2.520 4.739
74 H GLU 12 HN GLU 12 0.443 1.751 5.006
75 HA GLU 12 HA GLU 12 2.032 1.420 2.601
76 HB2 GLU 12 HB2 GLU 12 1.146 3.637 3.222
77 HB3 GLU 12 HB1 GLU 12 2.055 3.577 4.722
78 HG2 GLU 12 HG2 GLU 12 4.132 3.672 3.537
79 HG3 GLU 12 HG1 GLU 12 3.301 3.527 1.989
80 H ARG 13 HN ARG 13 3.977 0.435 2.592
81 HA ARG 13 HA ARG 13 5.417 0.186 5.148
82 HB2 ARG 13 HB2 ARG 13 4.794 -2.026 3.188
83 HB3 ARG 13 HB1 ARG 13 5.982 -2.169 4.477
84 HG2 ARG 13 HG2 ARG 13 3.038 -1.663 4.856
85 HG3 ARG 13 HG1 ARG 13 3.855 -3.213 5.052
86 HD2 ARG 13 HD2 ARG 13 5.182 -2.315 6.876
87 HD3 ARG 13 HD1 ARG 13 4.443 -0.725 6.656
88 HE ARG 13 HE ARG 13 2.457 -2.709 7.066
89 HH11 ARG 13 HH11 ARG 13 4.945 -0.983 8.839
90 HH12 ARG 13 HH12 ARG 13 4.051 -0.967 10.323
91 HH21 ARG 13 HH21 ARG 13 1.259 -2.657 8.988
92 HH22 ARG 13 HH22 ARG 13 1.944 -1.927 10.409
93 H GLN 14 HN GLN 14 7.667 -0.598 4.801
94 HA GLN 14 HA GLN 14 8.689 -0.297 2.098
95 HB2 GLN 14 HB2 GLN 14 10.435 1.200 2.658
96 HB3 GLN 14 HB1 GLN 14 8.986 1.907 3.364
97 HG2 GLN 14 HG2 GLN 14 9.644 1.437 5.520
98 HG3 GLN 14 HG1 GLN 14 10.704 0.116 5.022
99 HE21 GLN 14 HE21 GLN 14 12.737 0.604 4.144
100 HE22 GLN 14 HE22 GLN 14 13.503 2.136 4.445
101 H ASP 15 HN ASP 15 10.586 -1.501 1.762
102 HA ASP 15 HA ASP 15 11.210 -3.389 3.902
103 HB2 ASP 15 HB2 ASP 15 12.544 -4.555 2.086
104 HB3 ASP 15 HB1 ASP 15 10.803 -4.518 1.851
105 H VAL 16 HN VAL 16 13.768 -4.017 3.541
106 HA VAL 16 HA VAL 16 15.167 -1.906 4.760
107 HB VAL 16 HB VAL 16 16.380 -4.272 3.352
108 HG11 VAL 16 HG11 VAL 16 17.996 -2.566 3.983
109 HG12 VAL 16 HG12 VAL 16 18.197 -4.006 4.980
110 HG13 VAL 16 HG13 VAL 16 17.387 -2.584 5.639
111 HG21 VAL 16 HG21 VAL 16 16.265 -5.425 5.527
112 HG22 VAL 16 HG22 VAL 16 14.670 -5.060 4.871
113 HG23 VAL 16 HG23 VAL 16 15.334 -4.071 6.171
114 H LEU 17 HN LEU 17 14.604 -2.629 1.421
115 HA LEU 17 HA LEU 17 16.961 -1.325 0.431
116 HB2 LEU 17 HB2 LEU 17 14.427 -2.182 -0.965
117 HB3 LEU 17 HB1 LEU 17 15.837 -1.534 -1.781
118 HG LEU 17 HG LEU 17 15.729 -4.117 -0.212
119 HD11 LEU 17 HD11 LEU 17 16.025 -3.597 -3.166
120 HD12 LEU 17 HD12 LEU 17 14.589 -4.238 -2.369
121 HD13 LEU 17 HD13 LEU 17 16.083 -5.176 -2.381
122 HD21 LEU 17 HD21 LEU 17 17.905 -3.077 0.023
123 HD22 LEU 17 HD22 LEU 17 18.000 -2.826 -1.720
124 HD23 LEU 17 HD23 LEU 17 18.014 -4.463 -1.063
125 H GLY 18 HN GLY 18 13.585 -0.375 1.054
126 HA2 GLY 18 HA2 GLY 18 13.373 1.900 1.906
127 HA3 GLY 18 HA1 GLY 18 14.599 2.392 0.743
128 H ARG 19 HN ARG 19 13.059 0.373 -1.084
129 HA ARG 19 HA ARG 19 11.390 2.276 -2.358
130 HB2 ARG 19 HB2 ARG 19 10.798 0.570 -3.878
131 HB3 ARG 19 HB1 ARG 19 12.481 0.297 -3.487
132 HG2 ARG 19 HG2 ARG 19 11.191 -1.228 -1.626
133 HG3 ARG 19 HG1 ARG 19 10.159 -1.339 -3.064
134 HD2 ARG 19 HD2 ARG 19 12.043 -2.067 -4.405
135 HD3 ARG 19 HD1 ARG 19 13.138 -1.835 -3.046
136 HE ARG 19 HE ARG 19 11.451 -3.633 -2.030
137 HH11 ARG 19 HH11 ARG 19 13.097 -3.500 -5.134
138 HH12 ARG 19 HH12 ARG 19 13.172 -5.230 -5.311
139 HH21 ARG 19 HH21 ARG 19 11.558 -5.912 -2.272
140 HH22 ARG 19 HH22 ARG 19 12.309 -6.597 -3.687
141 H THR 20 HN THR 20 9.431 2.910 -1.752
142 HA THR 20 HA THR 20 8.296 1.649 0.568
143 HB THR 20 HB THR 20 6.961 3.835 -1.019
144 HG1 THR 20 HG1 THR 20 9.394 3.891 0.326
145 HG21 THR 20 HG21 THR 20 6.225 4.555 1.202
146 HG22 THR 20 HG22 THR 20 7.144 3.240 1.938
147 HG23 THR 20 HG23 THR 20 5.762 2.879 0.900
148 H TYR 21 HN TYR 21 7.328 -0.245 0.234
149 HA TYR 21 HA TYR 21 5.378 -0.391 -1.987
150 HB2 TYR 21 HB2 TYR 21 5.715 -2.727 -2.143
151 HB3 TYR 21 HB1 TYR 21 7.328 -2.040 -2.004
152 HD1 TYR 21 HD2 TYR 21 8.567 -2.273 0.162
153 HD2 TYR 21 HD1 TYR 21 4.847 -4.214 -0.516
154 HE1 TYR 21 HE2 TYR 21 9.009 -3.780 2.059
155 HE2 TYR 21 HE1 TYR 21 5.278 -5.721 1.372
156 HH TYR 21 HH TYR 21 7.108 -6.589 2.636
157 H TYR 22 HN TYR 22 3.269 -0.914 -1.534
158 HA TYR 22 HA TYR 22 2.501 -0.930 1.288
159 HB2 TYR 22 HB2 TYR 22 0.725 -0.798 -1.157
160 HB3 TYR 22 HB1 TYR 22 0.218 -0.581 0.505
161 HD1 TYR 22 HD2 TYR 22 2.720 0.911 -1.863
162 HD2 TYR 22 HD1 TYR 22 -0.127 1.552 1.232
163 HE1 TYR 22 HE2 TYR 22 3.121 3.330 -2.003
164 HE2 TYR 22 HE1 TYR 22 0.257 3.974 1.089
165 HH TYR 22 HH TYR 22 2.133 5.491 0.349
166 H VAL 23 HN VAL 23 0.685 -2.410 1.897
167 HA VAL 23 HA VAL 23 0.488 -4.847 0.335
168 HB VAL 23 HB VAL 23 2.377 -5.502 1.592
169 HG11 VAL 23 HG11 VAL 23 1.024 -4.417 4.055
170 HG12 VAL 23 HG12 VAL 23 2.388 -3.685 3.213
171 HG13 VAL 23 HG13 VAL 23 2.580 -5.243 4.019
172 HG21 VAL 23 HG21 VAL 23 0.614 -7.192 1.593
173 HG22 VAL 23 HG22 VAL 23 -0.033 -6.521 3.091
174 HG23 VAL 23 HG23 VAL 23 1.565 -7.269 3.078
175 H ASN 24 HN ASN 24 -1.449 -5.786 0.518
176 HA ASN 24 HA ASN 24 -3.346 -4.689 2.469
177 HB2 ASN 24 HB2 ASN 24 -3.958 -4.771 0.024
178 HB3 ASN 24 HB1 ASN 24 -3.901 -6.524 0.121
179 HD21 ASN 24 HD21 ASN 24 -6.111 -4.611 -0.459
180 HD22 ASN 24 HD22 ASN 24 -7.367 -5.016 0.656
181 H HIS 25 HN HIS 25 -4.018 -5.850 4.168
182 HA HIS 25 HA HIS 25 -2.619 -8.215 4.872
183 HB2 HIS 25 HB2 HIS 25 -4.942 -6.762 6.098
184 HB3 HIS 25 HB1 HIS 25 -4.362 -8.282 6.765
185 HD1 HIS 25 HD1 HIS 25 -1.993 -8.281 7.836
186 HD2 HIS 25 HD2 HIS 25 -3.379 -4.542 6.660
187 HE1 HIS 25 HE1 HIS 25 -0.509 -6.614 8.990
188 HE2 HIS 25 HE2 HIS 25 -1.207 -4.376 8.056
189 H GLU 26 HN GLU 26 -5.556 -7.726 3.142
190 HA GLU 26 HA GLU 26 -6.900 -10.110 3.928
191 HB2 GLU 26 HB2 GLU 26 -7.929 -8.019 2.949
192 HB3 GLU 26 HB1 GLU 26 -7.296 -8.514 1.393
193 HG2 GLU 26 HG2 GLU 26 -9.146 -10.248 2.989
194 HG3 GLU 26 HG1 GLU 26 -9.726 -9.013 1.875
195 H SER 27 HN SER 27 -5.313 -9.283 0.822
196 HA SER 27 HA SER 27 -5.137 -12.165 0.271
197 HB2 SER 27 HB2 SER 27 -6.396 -10.764 -1.359
198 HB3 SER 27 HB1 SER 27 -4.925 -9.844 -1.668
199 HG SER 27 HG SER 27 -4.959 -12.644 -1.964
200 H ARG 28 HN ARG 28 -3.321 -9.705 1.433
201 HA ARG 28 HA ARG 28 -1.121 -9.300 1.737
202 HB2 ARG 28 HB2 ARG 28 -0.834 -12.137 0.737
203 HB3 ARG 28 HB1 ARG 28 0.477 -11.189 1.426
204 HG2 ARG 28 HG2 ARG 28 -0.671 -11.022 3.531
205 HG3 ARG 28 HG1 ARG 28 -2.079 -11.843 2.860
206 HD2 ARG 28 HD2 ARG 28 -0.785 -13.385 4.184
207 HD3 ARG 28 HD1 ARG 28 -0.710 -13.845 2.483
208 HE ARG 28 HE ARG 28 1.476 -12.215 3.541
209 HH11 ARG 28 HH11 ARG 28 0.277 -15.362 2.596
210 HH12 ARG 28 HH12 ARG 28 1.860 -16.062 2.411
211 HH21 ARG 28 HH21 ARG 28 3.581 -13.135 3.318
212 HH22 ARG 28 HH22 ARG 28 3.740 -14.787 2.806
213 H THR 29 HN THR 29 -2.475 -8.708 -0.759
214 HA THR 29 HA THR 29 -0.611 -8.880 -2.899
215 HB THR 29 HB THR 29 -2.760 -6.782 -2.616
216 HG1 THR 29 HG1 THR 29 -3.394 -9.142 -3.946
217 HG21 THR 29 HG21 THR 29 -2.864 -6.986 -5.062
218 HG22 THR 29 HG22 THR 29 -1.590 -8.208 -5.009
219 HG23 THR 29 HG23 THR 29 -1.250 -6.547 -4.517
220 H THR 30 HN THR 30 1.174 -7.687 -3.199
221 HA THR 30 HA THR 30 1.532 -5.294 -1.532
222 HB THR 30 HB THR 30 3.973 -5.547 -2.085
223 HG1 THR 30 HG1 THR 30 2.939 -7.571 -3.634
224 HG21 THR 30 HG21 THR 30 3.135 -6.330 0.047
225 HG22 THR 30 HG22 THR 30 4.336 -7.467 -0.565
226 HG23 THR 30 HG23 THR 30 2.620 -7.853 -0.682
227 H GLN 31 HN GLN 31 2.206 -3.356 -2.472
228 HA GLN 31 HA GLN 31 2.273 -3.243 -5.403
229 HB2 GLN 31 HB2 GLN 31 -0.065 -2.793 -4.611
230 HB3 GLN 31 HB1 GLN 31 0.558 -1.419 -3.713
231 HG2 GLN 31 HG2 GLN 31 1.237 -0.334 -5.744
232 HG3 GLN 31 HG1 GLN 31 0.740 -1.734 -6.691
233 HE21 GLN 31 HE21 GLN 31 -0.648 -0.394 -7.884
234 HE22 GLN 31 HE22 GLN 31 -2.158 0.148 -7.229
235 H TRP 32 HN TRP 32 3.591 -1.668 -6.206
236 HA TRP 32 HA TRP 32 5.486 -0.503 -4.349
237 HB2 TRP 32 HB2 TRP 32 6.029 -1.594 -6.566
238 HB3 TRP 32 HB1 TRP 32 5.281 -0.220 -7.352
239 HD1 TRP 32 HD1 TRP 32 6.605 2.208 -6.812
240 HE1 TRP 32 HE1 TRP 32 9.134 2.624 -6.811
241 HE3 TRP 32 HE3 TRP 32 8.133 -2.526 -5.917
242 HZ2 TRP 32 HZ2 TRP 32 11.490 1.105 -6.490
243 HZ3 TRP 32 HZ3 TRP 32 10.535 -2.992 -5.764
244 HH2 TRP 32 HH2 TRP 32 12.184 -1.210 -6.046
245 H LYS 33 HN LYS 33 2.681 0.408 -6.084
246 HA LYS 33 HA LYS 33 3.173 3.260 -5.554
247 HB2 LYS 33 HB2 LYS 33 1.173 2.069 -7.481
248 HB3 LYS 33 HB1 LYS 33 1.628 3.764 -7.335
249 HG2 LYS 33 HG2 LYS 33 3.387 1.511 -8.259
250 HG3 LYS 33 HG1 LYS 33 2.670 2.773 -9.273
251 HD2 LYS 33 HD2 LYS 33 3.957 4.475 -8.080
252 HD3 LYS 33 HD1 LYS 33 4.642 3.235 -7.026
253 HE2 LYS 33 HE2 LYS 33 6.246 3.799 -8.724
254 HE3 LYS 33 HE1 LYS 33 5.654 2.167 -9.019
255 HZ1 LYS 33 HZ1 LYS 33 4.731 4.613 -10.426
256 HZ2 LYS 33 HZ2 LYS 33 4.189 3.037 -10.726
257 HZ3 LYS 33 HZ3 LYS 33 5.800 3.456 -11.057
258 H ARG 34 HN ARG 34 0.732 4.307 -5.553
259 HA ARG 34 HA ARG 34 -0.372 3.272 -3.083
260 HB2 ARG 34 HB2 ARG 34 -1.029 5.730 -4.707
261 HB3 ARG 34 HB1 ARG 34 -1.806 5.316 -3.184
262 HG2 ARG 34 HG2 ARG 34 0.432 5.372 -2.106
263 HG3 ARG 34 HG1 ARG 34 1.095 5.963 -3.632
264 HD2 ARG 34 HD2 ARG 34 -0.307 7.923 -3.526
265 HD3 ARG 34 HD1 ARG 34 -1.103 7.314 -2.074
266 HE ARG 34 HE ARG 34 1.454 7.392 -1.281
267 HH11 ARG 34 HH11 ARG 34 -0.514 9.742 -2.975
268 HH12 ARG 34 HH12 ARG 34 0.315 11.117 -2.300
269 HH21 ARG 34 HH21 ARG 34 2.537 9.195 -0.370
270 HH22 ARG 34 HH22 ARG 34 2.028 10.813 -0.795
271 HA PRO 35 HA PRO 35 -3.644 1.043 -5.083
272 HB2 PRO 35 HB2 PRO 35 -5.262 0.808 -2.883
273 HB3 PRO 35 HB1 PRO 35 -3.851 -0.221 -3.185
274 HG2 PRO 35 HG2 PRO 35 -4.105 2.170 -1.413
275 HG3 PRO 35 HG1 PRO 35 -3.244 0.648 -1.121
276 HD2 PRO 35 HD2 PRO 35 -1.979 2.920 -1.863
277 HD3 PRO 35 HD1 PRO 35 -1.408 1.313 -2.340
278 H SER 36 HN SER 36 -5.104 1.979 -6.352
279 HA SER 36 HA SER 36 -6.338 4.448 -5.934
280 HB2 SER 36 HB2 SER 36 -7.425 2.136 -7.567
281 HB3 SER 36 HB1 SER 36 -7.768 3.852 -7.799
282 HG SER 36 HG SER 36 -5.919 2.505 -8.994
283 HA PRO 37 HA PRO 37 -9.395 3.500 -2.929
284 HB2 PRO 37 HB2 PRO 37 -11.249 5.441 -4.062
285 HB3 PRO 37 HB1 PRO 37 -10.296 5.545 -2.579
286 HG2 PRO 37 HG2 PRO 37 -9.782 7.090 -4.745
287 HG3 PRO 37 HG1 PRO 37 -8.507 6.541 -3.644
288 HD2 PRO 37 HD2 PRO 37 -9.322 5.414 -6.301
289 HD3 PRO 37 HD1 PRO 37 -7.687 5.738 -5.672
290 H GLU 38 HN GLU 38 -9.689 2.284 -5.809
291 HA GLU 38 HA GLU 38 -12.537 1.760 -5.838
292 HB2 GLU 38 HB2 GLU 38 -12.049 0.445 -7.887
293 HB3 GLU 38 HB1 GLU 38 -11.492 2.105 -7.990
294 HG2 GLU 38 HG2 GLU 38 -9.201 1.239 -7.363
295 HG3 GLU 38 HG1 GLU 38 -9.843 -0.380 -7.617
296 H ASP 39 HN ASP 39 -12.429 0.872 -3.710
297 HA ASP 39 HA ASP 39 -11.990 -2.020 -3.847
298 HB2 ASP 39 HB2 ASP 39 -10.115 -1.219 -2.566
299 HB3 ASP 39 HB1 ASP 39 -11.148 -0.205 -1.567
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 3.223 6.910 7.700
2 H2 GLY 1 HT2 GLY 1 4.914 7.013 7.578
3 H3 GLY 1 HT3 GLY 1 4.034 6.099 6.452
4 HA2 GLY 1 HA1 GLY 1 3.930 9.039 6.781
5 HA3 GLY 1 HA2 GLY 1 4.698 8.172 5.459
6 H SER 2 HN SER 2 3.426 9.099 3.887
7 HA SER 2 HA SER 2 1.708 9.241 2.427
8 HB2 SER 2 HB2 SER 2 0.594 6.896 3.983
9 HB3 SER 2 HB1 SER 2 -0.010 7.462 2.425
10 HG SER 2 HG SER 2 2.489 6.277 3.046
11 HA PRO 3 HA PRO 3 -0.809 11.908 5.101
12 HB2 PRO 3 HB2 PRO 3 -1.150 13.860 3.279
13 HB3 PRO 3 HB1 PRO 3 0.360 13.674 4.180
14 HG2 PRO 3 HG2 PRO 3 -0.304 12.782 1.400
15 HG3 PRO 3 HG1 PRO 3 1.159 13.588 1.995
16 HD2 PRO 3 HD2 PRO 3 1.017 10.903 1.571
17 HD3 PRO 3 HD1 PRO 3 2.052 11.631 2.815
18 H SER 4 HN SER 4 -1.582 9.985 2.524
19 HA SER 4 HA SER 4 -4.365 10.930 2.443
20 HB2 SER 4 HB2 SER 4 -2.919 9.193 0.420
21 HB3 SER 4 HB1 SER 4 -4.553 9.842 0.268
22 HG SER 4 HG SER 4 -3.332 11.962 0.617
23 HA PRO 5 HA PRO 5 -5.437 7.234 4.687
24 HB2 PRO 5 HB2 PRO 5 -8.072 7.527 3.376
25 HB3 PRO 5 HB1 PRO 5 -7.666 7.491 5.094
26 HG2 PRO 5 HG2 PRO 5 -8.392 9.761 3.877
27 HG3 PRO 5 HG1 PRO 5 -7.168 9.748 5.161
28 HD2 PRO 5 HD2 PRO 5 -6.811 9.935 2.195
29 HD3 PRO 5 HD1 PRO 5 -5.935 10.778 3.491
30 H LEU 6 HN LEU 6 -4.784 5.300 4.030
31 HA LEU 6 HA LEU 6 -5.026 4.434 1.306
32 HB2 LEU 6 HB2 LEU 6 -4.040 3.026 3.787
33 HB3 LEU 6 HB1 LEU 6 -3.953 2.350 2.174
34 HG LEU 6 HG LEU 6 -2.550 4.856 3.096
35 HD11 LEU 6 HD11 LEU 6 -1.579 2.862 4.073
36 HD12 LEU 6 HD12 LEU 6 -0.507 3.534 2.843
37 HD13 LEU 6 HD13 LEU 6 -1.482 2.109 2.481
38 HD21 LEU 6 HD21 LEU 6 -1.403 4.740 0.928
39 HD22 LEU 6 HD22 LEU 6 -3.138 4.998 0.752
40 HD23 LEU 6 HD23 LEU 6 -2.450 3.401 0.459
41 HA PRO 7 HA PRO 7 -8.800 2.103 1.495
42 HB2 PRO 7 HB2 PRO 7 -7.435 -0.163 0.182
43 HB3 PRO 7 HB1 PRO 7 -8.790 0.813 -0.384
44 HG2 PRO 7 HG2 PRO 7 -6.355 1.036 -1.470
45 HG3 PRO 7 HG1 PRO 7 -7.445 2.422 -1.292
46 HD2 PRO 7 HD2 PRO 7 -5.068 1.653 0.350
47 HD3 PRO 7 HD1 PRO 7 -5.601 3.263 -0.177
48 HA PRO 8 HA PRO 8 -8.830 -0.594 4.970
49 HB2 PRO 8 HB2 PRO 8 -10.631 -2.402 3.444
50 HB3 PRO 8 HB1 PRO 8 -10.885 -1.612 5.005
51 HG2 PRO 8 HG2 PRO 8 -12.132 -0.738 2.832
52 HG3 PRO 8 HG1 PRO 8 -11.498 0.399 4.034
53 HD2 PRO 8 HD2 PRO 8 -10.373 -0.353 1.366
54 HD3 PRO 8 HD1 PRO 8 -10.446 1.239 2.155
55 H GLY 9 HN GLY 9 -7.259 -1.936 5.559
56 HA2 GLY 9 HA2 GLY 9 -6.156 -4.016 5.628
57 HA3 GLY 9 HA1 GLY 9 -6.797 -4.383 4.033
58 H TRP 10 HN TRP 10 -5.826 -1.482 3.369
59 HA TRP 10 HA TRP 10 -3.261 -2.389 2.380
60 HB2 TRP 10 HB2 TRP 10 -4.979 0.012 1.889
61 HB3 TRP 10 HB1 TRP 10 -3.278 0.036 1.420
62 HD1 TRP 10 HD1 TRP 10 -6.585 -1.706 0.565
63 HE1 TRP 10 HE1 TRP 10 -6.336 -2.851 -1.730
64 HE3 TRP 10 HE3 TRP 10 -1.591 -0.958 -0.116
65 HZ2 TRP 10 HZ2 TRP 10 -4.235 -3.362 -3.589
66 HZ3 TRP 10 HZ3 TRP 10 -0.526 -1.792 -2.163
67 HH2 TRP 10 HH2 TRP 10 -1.822 -2.973 -3.868
68 H GLU 11 HN GLU 11 -1.609 -2.347 3.699
69 HA GLU 11 HA GLU 11 -1.324 -0.040 5.492
70 HB2 GLU 11 HB2 GLU 11 0.132 -1.515 6.854
71 HB3 GLU 11 HB1 GLU 11 -1.534 -2.063 6.747
72 HG2 GLU 11 HG2 GLU 11 -0.738 -3.591 4.877
73 HG3 GLU 11 HG1 GLU 11 0.895 -3.192 5.406
74 H GLU 12 HN GLU 12 0.465 1.158 5.474
75 HA GLU 12 HA GLU 12 2.233 0.962 3.213
76 HB2 GLU 12 HB2 GLU 12 1.464 3.137 3.997
77 HB3 GLU 12 HB1 GLU 12 2.185 2.850 5.576
78 HG2 GLU 12 HG2 GLU 12 4.390 2.601 4.241
79 HG3 GLU 12 HG1 GLU 12 3.507 3.438 2.962
80 H ARG 13 HN ARG 13 4.274 0.239 3.185
81 HA ARG 13 HA ARG 13 5.644 -0.404 5.679
82 HB2 ARG 13 HB2 ARG 13 4.853 -2.403 3.559
83 HB3 ARG 13 HB1 ARG 13 6.175 -2.702 4.689
84 HG2 ARG 13 HG2 ARG 13 3.347 -2.109 5.556
85 HG3 ARG 13 HG1 ARG 13 3.965 -3.737 5.284
86 HD2 ARG 13 HD2 ARG 13 4.064 -3.211 7.641
87 HD3 ARG 13 HD1 ARG 13 5.695 -3.345 6.988
88 HE ARG 13 HE ARG 13 4.696 -0.648 7.014
89 HH11 ARG 13 HH11 ARG 13 6.216 -3.132 8.967
90 HH12 ARG 13 HH12 ARG 13 7.005 -2.000 10.019
91 HH21 ARG 13 HH21 ARG 13 5.756 0.848 8.387
92 HH22 ARG 13 HH22 ARG 13 6.744 0.256 9.698
93 H GLN 14 HN GLN 14 7.899 -0.289 5.459
94 HA GLN 14 HA GLN 14 8.702 0.846 2.887
95 HB2 GLN 14 HB2 GLN 14 10.599 1.813 4.022
96 HB3 GLN 14 HB1 GLN 14 9.128 2.200 4.901
97 HG2 GLN 14 HG2 GLN 14 9.654 0.779 6.660
98 HG3 GLN 14 HG1 GLN 14 10.807 -0.146 5.696
99 HE21 GLN 14 HE21 GLN 14 12.845 0.719 5.296
100 HE22 GLN 14 HE22 GLN 14 13.503 1.989 6.265
101 H ASP 15 HN ASP 15 10.265 0.047 1.620
102 HA ASP 15 HA ASP 15 11.258 -2.615 2.170
103 HB2 ASP 15 HB2 ASP 15 10.555 -1.964 -0.114
104 HB3 ASP 15 HB1 ASP 15 11.831 -0.763 -0.153
105 H VAL 16 HN VAL 16 13.658 -2.981 1.712
106 HA VAL 16 HA VAL 16 15.106 -1.440 3.622
107 HB VAL 16 HB VAL 16 15.342 -3.903 3.215
108 HG11 VAL 16 HG11 VAL 16 15.477 -3.946 0.821
109 HG12 VAL 16 HG12 VAL 16 16.937 -4.645 1.520
110 HG13 VAL 16 HG13 VAL 16 16.973 -3.012 0.856
111 HG21 VAL 16 HG21 VAL 16 16.882 -2.664 4.609
112 HG22 VAL 16 HG22 VAL 16 17.856 -2.252 3.197
113 HG23 VAL 16 HG23 VAL 16 17.728 -3.931 3.722
114 H LEU 17 HN LEU 17 14.753 -1.344 0.169
115 HA LEU 17 HA LEU 17 17.136 0.240 -0.195
116 HB2 LEU 17 HB2 LEU 17 14.935 -0.639 -2.022
117 HB3 LEU 17 HB1 LEU 17 16.077 0.590 -2.531
118 HG LEU 17 HG LEU 17 17.873 -1.176 -1.839
119 HD11 LEU 17 HD11 LEU 17 17.122 -3.483 -2.225
120 HD12 LEU 17 HD12 LEU 17 15.454 -2.908 -2.287
121 HD13 LEU 17 HD13 LEU 17 16.386 -2.755 -0.797
122 HD21 LEU 17 HD21 LEU 17 17.823 -2.088 -4.119
123 HD22 LEU 17 HD22 LEU 17 17.520 -0.350 -4.112
124 HD23 LEU 17 HD23 LEU 17 16.179 -1.478 -4.323
125 H GLY 18 HN GLY 18 13.721 0.901 0.376
126 HA2 GLY 18 HA2 GLY 18 13.474 3.185 1.397
127 HA3 GLY 18 HA1 GLY 18 14.376 3.770 0.005
128 H ARG 19 HN ARG 19 12.963 1.657 -1.609
129 HA ARG 19 HA ARG 19 10.660 2.938 -2.525
130 HB2 ARG 19 HB2 ARG 19 11.442 0.003 -2.477
131 HB3 ARG 19 HB1 ARG 19 10.025 0.596 -3.318
132 HG2 ARG 19 HG2 ARG 19 11.291 1.718 -4.906
133 HG3 ARG 19 HG1 ARG 19 12.757 1.628 -3.928
134 HD2 ARG 19 HD2 ARG 19 13.203 -0.042 -5.399
135 HD3 ARG 19 HD1 ARG 19 12.333 -0.961 -4.174
136 HE ARG 19 HE ARG 19 10.745 0.116 -6.354
137 HH11 ARG 19 HH11 ARG 19 12.359 -2.642 -4.914
138 HH12 ARG 19 HH12 ARG 19 11.619 -3.792 -5.993
139 HH21 ARG 19 HH21 ARG 19 9.778 -1.400 -7.783
140 HH22 ARG 19 HH22 ARG 19 10.152 -3.087 -7.612
141 H THR 20 HN THR 20 8.968 3.489 -1.150
142 HA THR 20 HA THR 20 8.400 1.780 1.122
143 HB THR 20 HB THR 20 6.697 4.088 0.184
144 HG1 THR 20 HG1 THR 20 8.060 5.398 1.534
145 HG21 THR 20 HG21 THR 20 7.263 2.937 2.922
146 HG22 THR 20 HG22 THR 20 5.798 2.683 1.977
147 HG23 THR 20 HG23 THR 20 6.186 4.296 2.573
148 H TYR 21 HN TYR 21 7.485 -0.127 0.573
149 HA TYR 21 HA TYR 21 5.518 -0.244 -1.577
150 HB2 TYR 21 HB2 TYR 21 5.526 -2.635 -1.321
151 HB3 TYR 21 HB1 TYR 21 7.178 -2.050 -1.338
152 HD1 TYR 21 HD2 TYR 21 8.506 -2.068 0.763
153 HD2 TYR 21 HD1 TYR 21 4.633 -3.803 0.545
154 HE1 TYR 21 HE2 TYR 21 8.940 -3.273 2.857
155 HE2 TYR 21 HE1 TYR 21 5.054 -5.012 2.644
156 HH TYR 21 HH TYR 21 7.707 -4.294 4.669
157 H TYR 22 HN TYR 22 3.532 -1.703 -1.121
158 HA TYR 22 HA TYR 22 2.468 -1.287 1.585
159 HB2 TYR 22 HB2 TYR 22 0.492 -1.146 -0.591
160 HB3 TYR 22 HB1 TYR 22 0.543 -0.268 0.915
161 HD1 TYR 22 HD1 TYR 22 1.946 1.809 1.097
162 HD2 TYR 22 HD2 TYR 22 1.315 -0.198 -2.598
163 HE1 TYR 22 HE1 TYR 22 2.681 3.817 -0.120
164 HE2 TYR 22 HE2 TYR 22 2.049 1.797 -3.821
165 HH TYR 22 HH TYR 22 3.668 4.340 -2.379
166 H VAL 23 HN VAL 23 0.978 -2.878 2.222
167 HA VAL 23 HA VAL 23 0.627 -5.098 0.346
168 HB VAL 23 HB VAL 23 2.337 -5.926 1.748
169 HG11 VAL 23 HG11 VAL 23 2.257 -5.865 4.194
170 HG12 VAL 23 HG12 VAL 23 0.748 -4.954 4.117
171 HG13 VAL 23 HG13 VAL 23 2.239 -4.243 3.500
172 HG21 VAL 23 HG21 VAL 23 0.531 -7.533 1.427
173 HG22 VAL 23 HG22 VAL 23 -0.279 -6.922 2.870
174 HG23 VAL 23 HG23 VAL 23 1.274 -7.741 3.013
175 H ASN 24 HN ASN 24 -1.384 -5.694 0.095
176 HA ASN 24 HA ASN 24 -3.500 -4.671 1.752
177 HB2 ASN 24 HB2 ASN 24 -3.847 -4.965 -0.667
178 HB3 ASN 24 HB1 ASN 24 -3.553 -6.690 -0.507
179 HD21 ASN 24 HD21 ASN 24 -5.798 -4.109 0.023
180 HD22 ASN 24 HD22 ASN 24 -7.162 -5.102 0.401
181 H HIS 25 HN HIS 25 -3.879 -5.527 3.672
182 HA HIS 25 HA HIS 25 -2.709 -7.947 4.541
183 HB2 HIS 25 HB2 HIS 25 -3.303 -5.859 5.903
184 HB3 HIS 25 HB1 HIS 25 -4.939 -6.491 5.950
185 HD1 HIS 25 HD1 HIS 25 -5.453 -8.243 7.676
186 HD2 HIS 25 HD2 HIS 25 -1.404 -7.445 7.278
187 HE1 HIS 25 HE1 HIS 25 -4.339 -9.473 9.563
188 HE2 HIS 25 HE2 HIS 25 -1.872 -9.019 9.281
189 H GLU 26 HN GLU 26 -5.591 -7.460 2.829
190 HA GLU 26 HA GLU 26 -6.961 -9.748 3.973
191 HB2 GLU 26 HB2 GLU 26 -8.272 -7.801 3.232
192 HB3 GLU 26 HB1 GLU 26 -7.669 -8.009 1.595
193 HG2 GLU 26 HG2 GLU 26 -9.918 -8.858 1.790
194 HG3 GLU 26 HG1 GLU 26 -8.786 -10.167 1.449
195 H SER 27 HN SER 27 -5.797 -8.871 0.710
196 HA SER 27 HA SER 27 -5.791 -11.709 0.016
197 HB2 SER 27 HB2 SER 27 -6.868 -10.129 -1.534
198 HB3 SER 27 HB1 SER 27 -5.356 -9.244 -1.694
199 HG SER 27 HG SER 27 -4.472 -11.316 -2.454
200 H ARG 28 HN ARG 28 -3.781 -9.934 1.635
201 HA ARG 28 HA ARG 28 -1.561 -9.578 1.881
202 HB2 ARG 28 HB2 ARG 28 -0.220 -11.740 1.803
203 HB3 ARG 28 HB1 ARG 28 -1.617 -11.685 2.865
204 HG2 ARG 28 HG2 ARG 28 -1.927 -13.725 1.955
205 HG3 ARG 28 HG1 ARG 28 -2.818 -12.753 0.785
206 HD2 ARG 28 HD2 ARG 28 -1.436 -14.319 -0.406
207 HD3 ARG 28 HD1 ARG 28 -0.752 -12.709 -0.631
208 HE ARG 28 HE ARG 28 0.644 -13.579 1.463
209 HH11 ARG 28 HH11 ARG 28 -0.130 -15.181 -1.553
210 HH12 ARG 28 HH12 ARG 28 1.326 -16.130 -1.572
211 HH21 ARG 28 HH21 ARG 28 2.531 -14.820 1.465
212 HH22 ARG 28 HH22 ARG 28 2.830 -15.945 0.169
213 H THR 29 HN THR 29 -2.312 -8.642 -0.549
214 HA THR 29 HA THR 29 -0.285 -9.474 -2.474
215 HB THR 29 HB THR 29 -2.463 -7.410 -2.851
216 HG1 THR 29 HG1 THR 29 -3.059 -9.628 -4.150
217 HG21 THR 29 HG21 THR 29 -0.822 -9.000 -4.822
218 HG22 THR 29 HG22 THR 29 -0.620 -7.287 -4.458
219 HG23 THR 29 HG23 THR 29 -2.099 -7.856 -5.235
220 H THR 30 HN THR 30 1.575 -8.396 -2.680
221 HA THR 30 HA THR 30 1.836 -5.729 -1.496
222 HB THR 30 HB THR 30 3.969 -7.593 -2.573
223 HG1 THR 30 HG1 THR 30 2.636 -7.971 -0.471
224 HG21 THR 30 HG21 THR 30 5.549 -6.109 -1.420
225 HG22 THR 30 HG22 THR 30 4.218 -5.045 -0.967
226 HG23 THR 30 HG23 THR 30 4.649 -5.241 -2.665
227 H GLN 31 HN GLN 31 1.925 -3.944 -2.740
228 HA GLN 31 HA GLN 31 2.411 -4.253 -5.622
229 HB2 GLN 31 HB2 GLN 31 0.143 -4.271 -5.791
230 HB3 GLN 31 HB1 GLN 31 -0.093 -3.418 -4.277
231 HG2 GLN 31 HG2 GLN 31 0.425 -1.310 -5.335
232 HG3 GLN 31 HG1 GLN 31 0.810 -2.131 -6.846
233 HE21 GLN 31 HE21 GLN 31 -1.247 -0.084 -6.081
234 HE22 GLN 31 HE22 GLN 31 -2.758 -0.751 -6.617
235 H TRP 32 HN TRP 32 3.379 -2.496 -6.629
236 HA TRP 32 HA TRP 32 3.938 -0.234 -4.852
237 HB2 TRP 32 HB2 TRP 32 5.758 -1.784 -6.439
238 HB3 TRP 32 HB1 TRP 32 5.805 -0.083 -6.919
239 HD1 TRP 32 HD1 TRP 32 5.420 1.425 -4.334
240 HE1 TRP 32 HE1 TRP 32 7.101 1.316 -2.405
241 HE3 TRP 32 HE3 TRP 32 7.750 -2.954 -5.518
242 HZ2 TRP 32 HZ2 TRP 32 9.129 -0.399 -1.504
243 HZ3 TRP 32 HZ3 TRP 32 9.594 -3.718 -4.073
244 HH2 TRP 32 HH2 TRP 32 10.246 -2.485 -2.105
245 H LYS 33 HN LYS 33 1.689 0.036 -5.893
246 HA LYS 33 HA LYS 33 2.083 2.457 -7.444
247 HB2 LYS 33 HB2 LYS 33 0.017 0.351 -8.129
248 HB3 LYS 33 HB1 LYS 33 -0.070 2.015 -8.680
249 HG2 LYS 33 HG2 LYS 33 2.169 1.654 -9.759
250 HG3 LYS 33 HG1 LYS 33 1.962 -0.064 -9.414
251 HD2 LYS 33 HD2 LYS 33 0.072 1.649 -11.031
252 HD3 LYS 33 HD1 LYS 33 1.243 0.513 -11.699
253 HE2 LYS 33 HE2 LYS 33 -0.917 -0.309 -9.776
254 HE3 LYS 33 HE1 LYS 33 -1.143 -0.305 -11.523
255 HZ1 LYS 33 HZ1 LYS 33 1.102 -1.754 -10.273
256 HZ2 LYS 33 HZ2 LYS 33 0.427 -1.971 -11.808
257 HZ3 LYS 33 HZ3 LYS 33 -0.426 -2.466 -10.426
258 H ARG 34 HN ARG 34 1.036 4.097 -6.450
259 HA ARG 34 HA ARG 34 -0.087 3.815 -3.935
260 HB2 ARG 34 HB2 ARG 34 0.761 5.937 -4.998
261 HB3 ARG 34 HB1 ARG 34 -0.760 6.031 -5.873
262 HG2 ARG 34 HG2 ARG 34 -1.012 7.456 -4.031
263 HG3 ARG 34 HG1 ARG 34 -1.891 5.987 -3.596
264 HD2 ARG 34 HD2 ARG 34 -0.566 6.756 -1.717
265 HD3 ARG 34 HD1 ARG 34 0.061 5.222 -2.319
266 HE ARG 34 HE ARG 34 1.491 7.225 -3.603
267 HH11 ARG 34 HH11 ARG 34 0.998 6.165 -0.297
268 HH12 ARG 34 HH12 ARG 34 2.584 6.625 0.225
269 HH21 ARG 34 HH21 ARG 34 3.583 7.809 -2.942
270 HH22 ARG 34 HH22 ARG 34 4.083 7.520 -1.294
271 HA PRO 35 HA PRO 35 -3.871 1.828 -5.288
272 HB2 PRO 35 HB2 PRO 35 -4.887 1.402 -2.803
273 HB3 PRO 35 HB1 PRO 35 -3.658 0.370 -3.544
274 HG2 PRO 35 HG2 PRO 35 -3.328 2.553 -1.530
275 HG3 PRO 35 HG1 PRO 35 -2.516 0.978 -1.623
276 HD2 PRO 35 HD2 PRO 35 -1.337 3.287 -2.423
277 HD3 PRO 35 HD1 PRO 35 -0.990 1.719 -3.179
278 H SER 36 HN SER 36 -5.570 2.900 -6.015
279 HA SER 36 HA SER 36 -6.594 5.293 -4.942
280 HB2 SER 36 HB2 SER 36 -8.041 3.238 -6.634
281 HB3 SER 36 HB1 SER 36 -8.420 4.958 -6.499
282 HG SER 36 HG SER 36 -7.234 4.617 -8.369
283 HA PRO 37 HA PRO 37 -8.906 3.821 -1.540
284 HB2 PRO 37 HB2 PRO 37 -11.087 5.677 -1.866
285 HB3 PRO 37 HB1 PRO 37 -9.688 5.813 -0.798
286 HG2 PRO 37 HG2 PRO 37 -10.128 7.445 -2.952
287 HG3 PRO 37 HG1 PRO 37 -8.522 7.095 -2.287
288 HD2 PRO 37 HD2 PRO 37 -9.900 5.872 -4.657
289 HD3 PRO 37 HD1 PRO 37 -8.209 6.401 -4.484
290 H GLU 38 HN GLU 38 -9.670 2.693 -4.227
291 HA GLU 38 HA GLU 38 -12.477 2.028 -3.707
292 HB2 GLU 38 HB2 GLU 38 -12.534 1.388 -6.139
293 HB3 GLU 38 HB1 GLU 38 -12.301 3.100 -5.823
294 HG2 GLU 38 HG2 GLU 38 -9.806 2.662 -6.143
295 HG3 GLU 38 HG1 GLU 38 -10.291 1.091 -6.784
296 H ASP 39 HN ASP 39 -11.670 0.550 -2.131
297 HA ASP 39 HA ASP 39 -11.376 -2.096 -3.289
298 HB2 ASP 39 HB2 ASP 39 -9.032 -1.027 -2.767
299 HB3 ASP 39 HB1 ASP 39 -9.450 -1.396 -1.098
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -4.732 17.082 3.984
2 H2 GLY 1 HT2 GLY 1 -4.901 17.335 5.654
3 H3 GLY 1 HT3 GLY 1 -5.130 15.792 5.006
4 HA2 GLY 1 HA1 GLY 1 -2.572 17.285 5.050
5 HA3 GLY 1 HA2 GLY 1 -2.998 15.938 6.095
6 H SER 2 HN SER 2 -0.900 15.210 5.068
7 HA SER 2 HA SER 2 -0.863 14.412 2.360
8 HB2 SER 2 HB2 SER 2 0.785 13.269 4.618
9 HB3 SER 2 HB1 SER 2 1.188 13.279 2.899
10 HG SER 2 HG SER 2 0.901 15.718 3.232
11 HA PRO 3 HA PRO 3 -1.764 9.902 4.221
12 HB2 PRO 3 HB2 PRO 3 -3.659 10.111 6.257
13 HB3 PRO 3 HB1 PRO 3 -1.950 9.720 6.472
14 HG2 PRO 3 HG2 PRO 3 -3.360 12.333 6.780
15 HG3 PRO 3 HG1 PRO 3 -2.029 11.654 7.735
16 HD2 PRO 3 HD2 PRO 3 -1.588 13.569 5.930
17 HD3 PRO 3 HD1 PRO 3 -0.431 12.237 6.151
18 H SER 4 HN SER 4 -2.858 9.657 2.333
19 HA SER 4 HA SER 4 -5.531 10.730 2.018
20 HB2 SER 4 HB2 SER 4 -3.990 8.880 0.183
21 HB3 SER 4 HB1 SER 4 -5.394 9.858 -0.238
22 HG SER 4 HG SER 4 -3.370 11.345 0.836
23 HA PRO 5 HA PRO 5 -7.869 7.211 3.375
24 HB2 PRO 5 HB2 PRO 5 -9.298 7.266 0.769
25 HB3 PRO 5 HB1 PRO 5 -9.945 7.346 2.411
26 HG2 PRO 5 HG2 PRO 5 -9.846 9.529 0.874
27 HG3 PRO 5 HG1 PRO 5 -9.510 9.615 2.615
28 HD2 PRO 5 HD2 PRO 5 -7.607 9.652 0.309
29 HD3 PRO 5 HD1 PRO 5 -7.554 10.567 1.829
30 H LEU 6 HN LEU 6 -6.609 5.435 3.426
31 HA LEU 6 HA LEU 6 -5.976 4.034 0.949
32 HB2 LEU 6 HB2 LEU 6 -5.128 3.476 3.798
33 HB3 LEU 6 HB1 LEU 6 -4.577 2.590 2.391
34 HG LEU 6 HG LEU 6 -4.034 5.510 2.952
35 HD11 LEU 6 HD11 LEU 6 -1.725 4.781 3.285
36 HD12 LEU 6 HD12 LEU 6 -2.212 3.102 3.049
37 HD13 LEU 6 HD13 LEU 6 -2.809 4.012 4.436
38 HD21 LEU 6 HD21 LEU 6 -4.208 5.044 0.549
39 HD22 LEU 6 HD22 LEU 6 -3.032 3.739 0.718
40 HD23 LEU 6 HD23 LEU 6 -2.547 5.407 1.020
41 HA PRO 7 HA PRO 7 -9.495 1.376 1.320
42 HB2 PRO 7 HB2 PRO 7 -7.709 -0.573 -0.055
43 HB3 PRO 7 HB1 PRO 7 -9.325 -0.013 -0.503
44 HG2 PRO 7 HG2 PRO 7 -7.204 0.870 -1.831
45 HG3 PRO 7 HG1 PRO 7 -8.544 1.953 -1.414
46 HD2 PRO 7 HD2 PRO 7 -5.867 1.672 -0.112
47 HD3 PRO 7 HD1 PRO 7 -6.783 3.144 -0.484
48 HA PRO 8 HA PRO 8 -8.999 -0.801 5.033
49 HB2 PRO 8 HB2 PRO 8 -10.514 -3.089 4.458
50 HB3 PRO 8 HB1 PRO 8 -11.115 -1.571 5.130
51 HG2 PRO 8 HG2 PRO 8 -11.149 -2.545 2.316
52 HG3 PRO 8 HG1 PRO 8 -12.353 -1.583 3.191
53 HD2 PRO 8 HD2 PRO 8 -10.718 -0.455 1.402
54 HD3 PRO 8 HD1 PRO 8 -11.169 0.394 2.896
55 H GLY 9 HN GLY 9 -7.019 -1.545 5.416
56 HA2 GLY 9 HA2 GLY 9 -5.812 -3.535 5.969
57 HA3 GLY 9 HA1 GLY 9 -6.476 -4.294 4.533
58 H TRP 10 HN TRP 10 -5.676 -1.323 3.478
59 HA TRP 10 HA TRP 10 -3.115 -2.244 2.467
60 HB2 TRP 10 HB2 TRP 10 -4.920 0.068 1.845
61 HB3 TRP 10 HB1 TRP 10 -3.231 0.119 1.336
62 HD1 TRP 10 HD1 TRP 10 -6.509 -1.723 0.642
63 HE1 TRP 10 HE1 TRP 10 -6.264 -3.014 -1.576
64 HE3 TRP 10 HE3 TRP 10 -1.539 -0.967 -0.153
65 HZ2 TRP 10 HZ2 TRP 10 -4.202 -3.611 -3.425
66 HZ3 TRP 10 HZ3 TRP 10 -0.502 -1.917 -2.162
67 HH2 TRP 10 HH2 TRP 10 -1.806 -3.215 -3.768
68 H GLU 11 HN GLU 11 -1.364 -2.001 3.703
69 HA GLU 11 HA GLU 11 -1.110 0.488 5.260
70 HB2 GLU 11 HB2 GLU 11 0.663 -0.844 6.530
71 HB3 GLU 11 HB1 GLU 11 -1.014 -1.310 6.778
72 HG2 GLU 11 HG2 GLU 11 -0.767 -3.185 5.316
73 HG3 GLU 11 HG1 GLU 11 0.857 -2.669 4.858
74 H GLU 12 HN GLU 12 0.712 1.741 5.063
75 HA GLU 12 HA GLU 12 2.281 1.309 2.657
76 HB2 GLU 12 HB2 GLU 12 1.313 3.534 3.045
77 HB3 GLU 12 HB1 GLU 12 2.213 3.674 4.549
78 HG2 GLU 12 HG2 GLU 12 4.303 3.668 3.350
79 HG3 GLU 12 HG1 GLU 12 3.458 3.366 1.831
80 H ARG 13 HN ARG 13 4.058 0.191 2.784
81 HA ARG 13 HA ARG 13 5.636 0.245 5.272
82 HB2 ARG 13 HB2 ARG 13 5.108 -1.980 3.295
83 HB3 ARG 13 HB1 ARG 13 6.381 -2.069 4.518
84 HG2 ARG 13 HG2 ARG 13 3.426 -1.785 5.036
85 HG3 ARG 13 HG1 ARG 13 4.382 -3.256 5.220
86 HD2 ARG 13 HD2 ARG 13 5.716 -2.182 6.958
87 HD3 ARG 13 HD1 ARG 13 4.791 -0.693 6.756
88 HE ARG 13 HE ARG 13 3.041 -2.851 7.296
89 HH11 ARG 13 HH11 ARG 13 5.418 -0.811 8.880
90 HH12 ARG 13 HH12 ARG 13 4.674 -0.955 10.443
91 HH21 ARG 13 HH21 ARG 13 2.049 -3.016 9.337
92 HH22 ARG 13 HH22 ARG 13 2.749 -2.203 10.713
93 H GLN 14 HN GLN 14 7.977 -0.405 4.853
94 HA GLN 14 HA GLN 14 8.868 0.812 2.324
95 HB2 GLN 14 HB2 GLN 14 9.277 2.106 4.545
96 HB3 GLN 14 HB1 GLN 14 10.518 0.899 4.828
97 HG2 GLN 14 HG2 GLN 14 10.919 1.809 2.218
98 HG3 GLN 14 HG1 GLN 14 10.562 3.237 3.182
99 HE21 GLN 14 HE21 GLN 14 12.198 0.296 4.273
100 HE22 GLN 14 HE22 GLN 14 13.710 1.060 4.613
101 H ASP 15 HN ASP 15 9.877 -0.621 1.074
102 HA ASP 15 HA ASP 15 10.899 -3.093 2.110
103 HB2 ASP 15 HB2 ASP 15 9.999 -2.679 -0.258
104 HB3 ASP 15 HB1 ASP 15 11.557 -1.917 -0.552
105 H VAL 16 HN VAL 16 13.221 -3.715 1.688
106 HA VAL 16 HA VAL 16 14.953 -1.825 2.892
107 HB VAL 16 HB VAL 16 16.734 -3.395 2.423
108 HG11 VAL 16 HG11 VAL 16 15.866 -5.304 3.703
109 HG12 VAL 16 HG12 VAL 16 14.223 -4.724 3.420
110 HG13 VAL 16 HG13 VAL 16 15.346 -3.761 4.381
111 HG21 VAL 16 HG21 VAL 16 14.668 -4.963 0.882
112 HG22 VAL 16 HG22 VAL 16 16.286 -5.533 1.290
113 HG23 VAL 16 HG23 VAL 16 16.084 -4.157 0.208
114 H LEU 17 HN LEU 17 13.972 -2.400 -0.343
115 HA LEU 17 HA LEU 17 16.153 -1.135 -1.659
116 HB2 LEU 17 HB2 LEU 17 13.283 -1.457 -2.534
117 HB3 LEU 17 HB1 LEU 17 14.587 -0.901 -3.564
118 HG LEU 17 HG LEU 17 14.366 -3.639 -2.314
119 HD11 LEU 17 HD11 LEU 17 12.766 -3.290 -4.108
120 HD12 LEU 17 HD12 LEU 17 14.047 -4.389 -4.624
121 HD13 LEU 17 HD13 LEU 17 14.055 -2.709 -5.160
122 HD21 LEU 17 HD21 LEU 17 16.695 -2.943 -2.514
123 HD22 LEU 17 HD22 LEU 17 16.428 -2.508 -4.204
124 HD23 LEU 17 HD23 LEU 17 16.312 -4.194 -3.696
125 H GLY 18 HN GLY 18 13.441 0.043 0.144
126 HA2 GLY 18 HA2 GLY 18 13.522 2.241 1.060
127 HA3 GLY 18 HA1 GLY 18 14.427 2.772 -0.361
128 H ARG 19 HN ARG 19 12.411 1.093 -1.968
129 HA ARG 19 HA ARG 19 10.477 3.124 -2.463
130 HB2 ARG 19 HB2 ARG 19 10.755 0.257 -3.317
131 HB3 ARG 19 HB1 ARG 19 9.279 1.144 -3.654
132 HG2 ARG 19 HG2 ARG 19 10.635 1.233 -5.589
133 HG3 ARG 19 HG1 ARG 19 10.652 2.835 -4.858
134 HD2 ARG 19 HD2 ARG 19 12.827 2.500 -3.973
135 HD3 ARG 19 HD1 ARG 19 12.798 0.785 -4.376
136 HE ARG 19 HE ARG 19 12.509 1.952 -6.783
137 HH11 ARG 19 HH11 ARG 19 14.794 2.506 -4.181
138 HH12 ARG 19 HH12 ARG 19 16.098 2.924 -5.244
139 HH21 ARG 19 HH21 ARG 19 14.211 2.511 -8.185
140 HH22 ARG 19 HH22 ARG 19 15.775 2.913 -7.525
141 H THR 20 HN THR 20 8.567 3.466 -1.433
142 HA THR 20 HA THR 20 7.826 1.878 0.794
143 HB THR 20 HB THR 20 5.596 3.223 0.393
144 HG1 THR 20 HG1 THR 20 6.442 3.873 -1.767
145 HG21 THR 20 HG21 THR 20 8.150 4.635 1.160
146 HG22 THR 20 HG22 THR 20 7.220 3.581 2.224
147 HG23 THR 20 HG23 THR 20 6.514 5.087 1.640
148 H TYR 21 HN TYR 21 7.269 -0.197 0.415
149 HA TYR 21 HA TYR 21 5.351 -0.695 -1.743
150 HB2 TYR 21 HB2 TYR 21 6.017 -2.922 -1.792
151 HB3 TYR 21 HB1 TYR 21 7.518 -2.100 -1.397
152 HD1 TYR 21 HD2 TYR 21 8.271 -2.073 1.013
153 HD2 TYR 21 HD1 TYR 21 5.148 -4.606 -0.375
154 HE1 TYR 21 HE2 TYR 21 8.551 -3.492 2.998
155 HE2 TYR 21 HE1 TYR 21 5.407 -6.025 1.616
156 HH TYR 21 HH TYR 21 7.173 -5.080 4.341
157 H TYR 22 HN TYR 22 3.294 -1.116 -1.328
158 HA TYR 22 HA TYR 22 2.464 -1.084 1.471
159 HB2 TYR 22 HB2 TYR 22 0.752 -1.071 -1.008
160 HB3 TYR 22 HB1 TYR 22 0.217 -0.735 0.626
161 HD1 TYR 22 HD2 TYR 22 2.560 0.538 -1.974
162 HD2 TYR 22 HD1 TYR 22 0.086 1.475 1.350
163 HE1 TYR 22 HE2 TYR 22 2.993 2.929 -2.338
164 HE2 TYR 22 HE1 TYR 22 0.511 3.871 1.005
165 HH TYR 22 HH TYR 22 1.923 5.076 -1.852
166 H VAL 23 HN VAL 23 0.757 -2.606 2.132
167 HA VAL 23 HA VAL 23 0.524 -4.989 0.492
168 HB VAL 23 HB VAL 23 2.331 -5.729 1.804
169 HG11 VAL 23 HG11 VAL 23 2.467 -5.543 4.224
170 HG12 VAL 23 HG12 VAL 23 0.928 -4.687 4.251
171 HG13 VAL 23 HG13 VAL 23 2.333 -3.951 3.477
172 HG21 VAL 23 HG21 VAL 23 -0.144 -6.697 3.217
173 HG22 VAL 23 HG22 VAL 23 1.424 -7.500 3.197
174 HG23 VAL 23 HG23 VAL 23 0.494 -7.342 1.707
175 H ASN 24 HN ASN 24 -1.471 -5.663 0.417
176 HA ASN 24 HA ASN 24 -3.440 -4.697 2.321
177 HB2 ASN 24 HB2 ASN 24 -4.021 -4.773 -0.080
178 HB3 ASN 24 HB1 ASN 24 -3.775 -6.516 -0.078
179 HD21 ASN 24 HD21 ASN 24 -5.844 -3.911 0.922
180 HD22 ASN 24 HD22 ASN 24 -7.208 -4.884 1.353
181 H HIS 25 HN HIS 25 -4.567 -6.059 3.775
182 HA HIS 25 HA HIS 25 -2.943 -8.272 4.655
183 HB2 HIS 25 HB2 HIS 25 -5.415 -6.953 5.764
184 HB3 HIS 25 HB1 HIS 25 -4.774 -8.430 6.467
185 HD1 HIS 25 HD1 HIS 25 -4.048 -7.475 8.666
186 HD2 HIS 25 HD2 HIS 25 -2.455 -5.422 5.418
187 HE1 HIS 25 HE1 HIS 25 -2.338 -5.897 9.628
188 HE2 HIS 25 HE2 HIS 25 -1.295 -4.751 7.639
189 H GLU 26 HN GLU 26 -6.327 -7.980 3.532
190 HA GLU 26 HA GLU 26 -6.848 -10.753 3.847
191 HB2 GLU 26 HB2 GLU 26 -8.592 -8.937 3.660
192 HB3 GLU 26 HB1 GLU 26 -8.225 -8.874 1.936
193 HG2 GLU 26 HG2 GLU 26 -8.910 -11.166 1.662
194 HG3 GLU 26 HG1 GLU 26 -9.162 -11.329 3.398
195 H SER 27 HN SER 27 -6.296 -8.795 0.933
196 HA SER 27 HA SER 27 -6.149 -11.101 -0.756
197 HB2 SER 27 HB2 SER 27 -5.396 -8.229 -1.324
198 HB3 SER 27 HB1 SER 27 -5.727 -9.480 -2.522
199 HG SER 27 HG SER 27 -7.861 -9.534 -1.158
200 H ARG 28 HN ARG 28 -3.968 -9.534 1.290
201 HA ARG 28 HA ARG 28 -1.735 -9.730 1.715
202 HB2 ARG 28 HB2 ARG 28 -1.777 -12.140 -0.078
203 HB3 ARG 28 HB1 ARG 28 -0.678 -11.822 1.245
204 HG2 ARG 28 HG2 ARG 28 -3.615 -12.172 1.692
205 HG3 ARG 28 HG1 ARG 28 -2.527 -13.552 1.558
206 HD2 ARG 28 HD2 ARG 28 -1.210 -12.707 3.430
207 HD3 ARG 28 HD1 ARG 28 -2.280 -11.306 3.554
208 HE ARG 28 HE ARG 28 -4.061 -13.202 3.836
209 HH11 ARG 28 HH11 ARG 28 -0.846 -13.087 5.214
210 HH12 ARG 28 HH12 ARG 28 -1.265 -14.082 6.573
211 HH21 ARG 28 HH21 ARG 28 -4.613 -14.468 5.611
212 HH22 ARG 28 HH22 ARG 28 -3.420 -14.858 6.814
213 H THR 29 HN THR 29 -2.664 -8.257 -0.688
214 HA THR 29 HA THR 29 -0.705 -8.861 -2.741
215 HB THR 29 HB THR 29 -2.826 -6.705 -2.717
216 HG1 THR 29 HG1 THR 29 -2.939 -9.437 -3.093
217 HG21 THR 29 HG21 THR 29 -1.279 -7.959 -4.992
218 HG22 THR 29 HG22 THR 29 -1.032 -6.332 -4.357
219 HG23 THR 29 HG23 THR 29 -2.550 -6.746 -5.155
220 H THR 30 HN THR 30 1.242 -8.019 -2.681
221 HA THR 30 HA THR 30 1.736 -5.486 -1.331
222 HB THR 30 HB THR 30 4.153 -6.056 -1.874
223 HG1 THR 30 HG1 THR 30 4.076 -7.558 -3.451
224 HG21 THR 30 HG21 THR 30 3.289 -6.441 0.342
225 HG22 THR 30 HG22 THR 30 4.292 -7.816 -0.121
226 HG23 THR 30 HG23 THR 30 2.536 -7.951 -0.173
227 H GLN 31 HN GLN 31 2.518 -3.668 -2.391
228 HA GLN 31 HA GLN 31 3.051 -3.767 -5.236
229 HB2 GLN 31 HB2 GLN 31 0.587 -3.660 -5.146
230 HB3 GLN 31 HB1 GLN 31 0.690 -2.206 -4.164
231 HG2 GLN 31 HG2 GLN 31 1.701 -0.997 -5.991
232 HG3 GLN 31 HG1 GLN 31 1.726 -2.457 -6.978
233 HE21 GLN 31 HE21 GLN 31 -0.284 0.018 -5.568
234 HE22 GLN 31 HE22 GLN 31 -1.681 -0.290 -6.544
235 H TRP 32 HN TRP 32 4.451 -2.199 -5.817
236 HA TRP 32 HA TRP 32 5.582 -0.490 -3.841
237 HB2 TRP 32 HB2 TRP 32 5.938 -0.323 -6.843
238 HB3 TRP 32 HB1 TRP 32 7.004 0.354 -5.619
239 HD1 TRP 32 HD1 TRP 32 6.506 -2.675 -7.690
240 HE1 TRP 32 HE1 TRP 32 8.162 -4.524 -7.000
241 HE3 TRP 32 HE3 TRP 32 8.202 -0.641 -3.325
242 HZ2 TRP 32 HZ2 TRP 32 9.953 -5.035 -4.890
243 HZ3 TRP 32 HZ3 TRP 32 9.898 -1.869 -2.035
244 HH2 TRP 32 HH2 TRP 32 10.756 -4.021 -2.803
245 H LYS 33 HN LYS 33 3.206 -0.124 -6.339
246 HA LYS 33 HA LYS 33 3.073 2.751 -6.125
247 HB2 LYS 33 HB2 LYS 33 2.672 1.645 -8.274
248 HB3 LYS 33 HB1 LYS 33 1.326 0.756 -7.582
249 HG2 LYS 33 HG2 LYS 33 0.212 2.965 -7.166
250 HG3 LYS 33 HG1 LYS 33 1.514 3.709 -8.092
251 HD2 LYS 33 HD2 LYS 33 0.932 2.312 -10.022
252 HD3 LYS 33 HD1 LYS 33 -0.387 1.593 -9.100
253 HE2 LYS 33 HE2 LYS 33 -1.389 3.843 -8.859
254 HE3 LYS 33 HE1 LYS 33 -0.104 4.493 -9.877
255 HZ1 LYS 33 HZ1 LYS 33 -0.874 2.878 -11.614
256 HZ2 LYS 33 HZ2 LYS 33 -1.953 4.135 -11.265
257 HZ3 LYS 33 HZ3 LYS 33 -2.239 2.581 -10.647
258 H ARG 34 HN ARG 34 1.427 3.912 -5.158
259 HA ARG 34 HA ARG 34 0.118 2.770 -2.936
260 HB2 ARG 34 HB2 ARG 34 -1.110 4.939 -2.821
261 HB3 ARG 34 HB1 ARG 34 0.634 5.124 -2.921
262 HG2 ARG 34 HG2 ARG 34 0.540 5.834 -5.158
263 HG3 ARG 34 HG1 ARG 34 -1.128 5.288 -5.336
264 HD2 ARG 34 HD2 ARG 34 -1.886 6.996 -3.802
265 HD3 ARG 34 HD1 ARG 34 -0.223 7.510 -3.513
266 HE ARG 34 HE ARG 34 -0.206 8.578 -5.574
267 HH11 ARG 34 HH11 ARG 34 -3.191 6.769 -5.175
268 HH12 ARG 34 HH12 ARG 34 -3.974 7.526 -6.526
269 HH21 ARG 34 HH21 ARG 34 -1.249 9.598 -7.303
270 HH22 ARG 34 HH22 ARG 34 -2.882 9.166 -7.717
271 HA PRO 35 HA PRO 35 -3.591 1.042 -4.686
272 HB2 PRO 35 HB2 PRO 35 -5.341 1.673 -2.644
273 HB3 PRO 35 HB1 PRO 35 -4.249 0.284 -2.631
274 HG2 PRO 35 HG2 PRO 35 -3.940 2.953 -1.330
275 HG3 PRO 35 HG1 PRO 35 -3.509 1.346 -0.713
276 HD2 PRO 35 HD2 PRO 35 -1.672 3.051 -1.688
277 HD3 PRO 35 HD1 PRO 35 -1.525 1.295 -1.895
278 H SER 36 HN SER 36 -5.369 1.688 -5.825
279 HA SER 36 HA SER 36 -5.563 4.457 -6.455
280 HB2 SER 36 HB2 SER 36 -7.309 2.121 -7.283
281 HB3 SER 36 HB1 SER 36 -7.307 3.720 -8.034
282 HG SER 36 HG SER 36 -4.950 3.263 -8.332
283 HA PRO 37 HA PRO 37 -8.584 5.752 -3.596
284 HB2 PRO 37 HB2 PRO 37 -9.897 7.494 -5.520
285 HB3 PRO 37 HB1 PRO 37 -8.814 7.916 -4.192
286 HG2 PRO 37 HG2 PRO 37 -8.110 8.176 -6.801
287 HG3 PRO 37 HG1 PRO 37 -6.936 7.818 -5.520
288 HD2 PRO 37 HD2 PRO 37 -8.253 5.942 -7.454
289 HD3 PRO 37 HD1 PRO 37 -6.547 6.023 -6.950
290 H GLU 38 HN GLU 38 -9.428 3.465 -5.466
291 HA GLU 38 HA GLU 38 -12.295 3.880 -5.481
292 HB2 GLU 38 HB2 GLU 38 -12.383 1.519 -6.342
293 HB3 GLU 38 HB1 GLU 38 -11.527 2.658 -7.365
294 HG2 GLU 38 HG2 GLU 38 -9.375 1.775 -6.454
295 HG3 GLU 38 HG1 GLU 38 -10.308 0.565 -5.569
296 H ASP 39 HN ASP 39 -12.322 4.334 -3.281
297 HA ASP 39 HA ASP 39 -12.846 2.041 -1.608
298 HB2 ASP 39 HB2 ASP 39 -10.518 2.283 -1.088
299 HB3 ASP 39 HB1 ASP 39 -10.652 4.037 -1.005
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 2.988 10.237 6.628
2 H2 GLY 1 HT2 GLY 1 3.160 11.374 5.387
3 H3 GLY 1 HT3 GLY 1 3.084 9.726 5.014
4 HA2 GLY 1 HA1 GLY 1 0.808 9.621 5.826
5 HA3 GLY 1 HA2 GLY 1 0.893 11.339 6.196
6 H SER 2 HN SER 2 0.569 8.948 3.710
7 HA SER 2 HA SER 2 0.724 10.703 1.486
8 HB2 SER 2 HB2 SER 2 -0.582 7.998 1.830
9 HB3 SER 2 HB1 SER 2 -0.422 8.825 0.280
10 HG SER 2 HG SER 2 1.434 7.398 1.698
11 HA PRO 3 HA PRO 3 -3.102 12.818 2.035
12 HB2 PRO 3 HB2 PRO 3 -3.258 14.038 -0.355
13 HB3 PRO 3 HB1 PRO 3 -2.031 14.471 0.840
14 HG2 PRO 3 HG2 PRO 3 -1.781 12.731 -1.583
15 HG3 PRO 3 HG1 PRO 3 -0.669 13.971 -0.978
16 HD2 PRO 3 HD2 PRO 3 -0.322 11.299 -0.563
17 HD3 PRO 3 HD1 PRO 3 0.285 12.552 0.541
18 H SER 4 HN SER 4 -3.541 10.095 1.445
19 HA SER 4 HA SER 4 -6.108 10.309 0.131
20 HB2 SER 4 HB2 SER 4 -4.013 8.382 -0.919
21 HB3 SER 4 HB1 SER 4 -5.701 8.428 -1.419
22 HG SER 4 HG SER 4 -4.701 10.883 -1.648
23 HA PRO 5 HA PRO 5 -6.835 7.580 3.624
24 HB2 PRO 5 HB2 PRO 5 -9.464 7.076 2.952
25 HB3 PRO 5 HB1 PRO 5 -8.921 8.478 3.878
26 HG2 PRO 5 HG2 PRO 5 -9.565 8.260 0.968
27 HG3 PRO 5 HG1 PRO 5 -9.945 9.568 2.105
28 HD2 PRO 5 HD2 PRO 5 -7.922 9.765 0.347
29 HD3 PRO 5 HD1 PRO 5 -7.816 10.464 1.977
30 H LEU 6 HN LEU 6 -6.143 5.557 3.590
31 HA LEU 6 HA LEU 6 -5.984 4.109 1.130
32 HB2 LEU 6 HB2 LEU 6 -5.207 3.283 3.923
33 HB3 LEU 6 HB1 LEU 6 -4.769 2.441 2.448
34 HG LEU 6 HG LEU 6 -3.900 5.237 3.189
35 HD11 LEU 6 HD11 LEU 6 -2.392 2.629 3.158
36 HD12 LEU 6 HD12 LEU 6 -2.817 3.581 4.582
37 HD13 LEU 6 HD13 LEU 6 -1.670 4.221 3.402
38 HD21 LEU 6 HD21 LEU 6 -4.133 4.921 0.770
39 HD22 LEU 6 HD22 LEU 6 -3.097 3.495 0.861
40 HD23 LEU 6 HD23 LEU 6 -2.441 5.088 1.250
41 HA PRO 7 HA PRO 7 -9.592 1.475 1.395
42 HB2 PRO 7 HB2 PRO 7 -8.219 -0.648 0.133
43 HB3 PRO 7 HB1 PRO 7 -9.288 0.517 -0.625
44 HG2 PRO 7 HG2 PRO 7 -6.362 0.397 -0.598
45 HG3 PRO 7 HG1 PRO 7 -7.443 1.184 -1.754
46 HD2 PRO 7 HD2 PRO 7 -5.921 2.530 0.066
47 HD3 PRO 7 HD1 PRO 7 -7.439 3.154 -0.603
48 HA PRO 8 HA PRO 8 -9.035 -1.020 4.930
49 HB2 PRO 8 HB2 PRO 8 -10.540 -3.240 4.309
50 HB3 PRO 8 HB1 PRO 8 -11.207 -1.706 4.877
51 HG2 PRO 8 HG2 PRO 8 -10.977 -2.757 2.087
52 HG3 PRO 8 HG1 PRO 8 -12.320 -1.882 2.847
53 HD2 PRO 8 HD2 PRO 8 -10.612 -0.653 1.189
54 HD3 PRO 8 HD1 PRO 8 -11.270 0.177 2.613
55 H GLY 9 HN GLY 9 -7.225 -2.007 5.457
56 HA2 GLY 9 HA2 GLY 9 -6.034 -4.046 5.714
57 HA3 GLY 9 HA1 GLY 9 -6.594 -4.543 4.128
58 H TRP 10 HN TRP 10 -5.754 -1.523 3.491
59 HA TRP 10 HA TRP 10 -3.168 -2.369 2.471
60 HB2 TRP 10 HB2 TRP 10 -4.961 -0.022 1.948
61 HB3 TRP 10 HB1 TRP 10 -3.276 0.013 1.439
62 HD1 TRP 10 HD1 TRP 10 -6.638 -1.534 0.540
63 HE1 TRP 10 HE1 TRP 10 -6.377 -2.807 -1.689
64 HE3 TRP 10 HE3 TRP 10 -1.564 -1.298 0.070
65 HZ2 TRP 10 HZ2 TRP 10 -4.274 -3.597 -3.413
66 HZ3 TRP 10 HZ3 TRP 10 -0.507 -2.323 -1.894
67 HH2 TRP 10 HH2 TRP 10 -1.835 -3.454 -3.598
68 H GLU 11 HN GLU 11 -1.402 -2.103 3.675
69 HA GLU 11 HA GLU 11 -1.247 0.304 5.368
70 HB2 GLU 11 HB2 GLU 11 0.528 -0.958 6.630
71 HB3 GLU 11 HB1 GLU 11 -1.098 -1.606 6.776
72 HG2 GLU 11 HG2 GLU 11 -0.597 -3.378 5.268
73 HG3 GLU 11 HG1 GLU 11 0.974 -2.671 4.870
74 H GLU 12 HN GLU 12 0.476 1.626 5.267
75 HA GLU 12 HA GLU 12 2.076 1.503 2.853
76 HB2 GLU 12 HB2 GLU 12 1.016 3.607 3.615
77 HB3 GLU 12 HB1 GLU 12 2.000 3.561 5.071
78 HG2 GLU 12 HG2 GLU 12 3.994 3.912 3.825
79 HG3 GLU 12 HG1 GLU 12 3.140 3.704 2.294
80 H ARG 13 HN ARG 13 3.982 0.479 2.808
81 HA ARG 13 HA ARG 13 5.462 0.183 5.339
82 HB2 ARG 13 HB2 ARG 13 4.874 -1.862 3.199
83 HB3 ARG 13 HB1 ARG 13 6.122 -2.091 4.422
84 HG2 ARG 13 HG2 ARG 13 3.449 -1.379 5.434
85 HG3 ARG 13 HG1 ARG 13 3.596 -2.963 4.668
86 HD2 ARG 13 HD2 ARG 13 5.405 -1.952 6.856
87 HD3 ARG 13 HD1 ARG 13 4.007 -2.996 7.118
88 HE ARG 13 HE ARG 13 5.714 -4.153 5.191
89 HH11 ARG 13 HH11 ARG 13 5.610 -3.461 8.620
90 HH12 ARG 13 HH12 ARG 13 6.547 -4.859 9.046
91 HH21 ARG 13 HH21 ARG 13 6.937 -5.989 5.761
92 HH22 ARG 13 HH22 ARG 13 7.300 -6.285 7.433
93 H GLN 14 HN GLN 14 7.776 -0.283 5.051
94 HA GLN 14 HA GLN 14 8.818 0.851 2.542
95 HB2 GLN 14 HB2 GLN 14 10.897 1.356 3.831
96 HB3 GLN 14 HB1 GLN 14 9.488 2.230 4.405
97 HG2 GLN 14 HG2 GLN 14 9.988 1.540 6.437
98 HG3 GLN 14 HG1 GLN 14 9.530 -0.083 5.932
99 HE21 GLN 14 HE21 GLN 14 11.811 -0.393 4.101
100 HE22 GLN 14 HE22 GLN 14 13.190 -0.636 5.128
101 H ASP 15 HN ASP 15 9.918 -0.444 1.250
102 HA ASP 15 HA ASP 15 10.605 -3.110 2.155
103 HB2 ASP 15 HB2 ASP 15 9.669 -2.669 -0.150
104 HB3 ASP 15 HB1 ASP 15 11.166 -1.830 -0.536
105 H VAL 16 HN VAL 16 12.771 -3.934 1.949
106 HA VAL 16 HA VAL 16 14.748 -2.347 3.129
107 HB VAL 16 HB VAL 16 15.040 -4.875 1.507
108 HG11 VAL 16 HG11 VAL 16 17.151 -5.205 2.711
109 HG12 VAL 16 HG12 VAL 16 16.962 -3.621 3.463
110 HG13 VAL 16 HG13 VAL 16 17.184 -3.748 1.716
111 HG21 VAL 16 HG21 VAL 16 14.760 -4.476 4.476
112 HG22 VAL 16 HG22 VAL 16 15.057 -6.019 3.674
113 HG23 VAL 16 HG23 VAL 16 13.541 -5.157 3.398
114 H LEU 17 HN LEU 17 13.918 -2.981 -0.214
115 HA LEU 17 HA LEU 17 16.256 -1.918 -1.394
116 HB2 LEU 17 HB2 LEU 17 13.459 -2.144 -2.501
117 HB3 LEU 17 HB1 LEU 17 14.882 -1.750 -3.447
118 HG LEU 17 HG LEU 17 14.470 -4.351 -1.961
119 HD11 LEU 17 HD11 LEU 17 12.902 -4.118 -3.810
120 HD12 LEU 17 HD12 LEU 17 14.133 -5.333 -4.170
121 HD13 LEU 17 HD13 LEU 17 14.234 -3.726 -4.900
122 HD21 LEU 17 HD21 LEU 17 16.825 -3.741 -2.206
123 HD22 LEU 17 HD22 LEU 17 16.584 -3.503 -3.935
124 HD23 LEU 17 HD23 LEU 17 16.412 -5.111 -3.236
125 H GLY 18 HN GLY 18 13.437 -0.408 0.013
126 HA2 GLY 18 HA2 GLY 18 13.824 1.877 0.782
127 HA3 GLY 18 HA1 GLY 18 14.655 2.187 -0.743
128 H ARG 19 HN ARG 19 12.507 0.431 -1.986
129 HA ARG 19 HA ARG 19 10.709 2.459 -2.786
130 HB2 ARG 19 HB2 ARG 19 10.693 -0.534 -3.082
131 HB3 ARG 19 HB1 ARG 19 9.333 0.439 -3.612
132 HG2 ARG 19 HG2 ARG 19 10.720 -0.020 -5.483
133 HG3 ARG 19 HG1 ARG 19 10.860 1.696 -5.092
134 HD2 ARG 19 HD2 ARG 19 12.956 1.211 -3.874
135 HD3 ARG 19 HD1 ARG 19 12.828 -0.474 -4.377
136 HE ARG 19 HE ARG 19 12.736 0.835 -6.725
137 HH11 ARG 19 HH11 ARG 19 14.951 1.000 -3.997
138 HH12 ARG 19 HH12 ARG 19 16.316 1.473 -4.965
139 HH21 ARG 19 HH21 ARG 19 14.503 1.523 -7.985
140 HH22 ARG 19 HH22 ARG 19 16.048 1.785 -7.234
141 H THR 20 HN THR 20 8.888 3.155 -1.790
142 HA THR 20 HA THR 20 8.057 1.872 0.654
143 HB THR 20 HB THR 20 6.515 3.986 -0.851
144 HG1 THR 20 HG1 THR 20 8.977 4.152 0.453
145 HG21 THR 20 HG21 THR 20 6.839 3.340 2.082
146 HG22 THR 20 HG22 THR 20 5.405 3.036 1.095
147 HG23 THR 20 HG23 THR 20 5.906 4.692 1.436
148 H TYR 21 HN TYR 21 7.183 -0.087 0.364
149 HA TYR 21 HA TYR 21 5.212 -0.425 -1.796
150 HB2 TYR 21 HB2 TYR 21 5.642 -2.720 -1.777
151 HB3 TYR 21 HB1 TYR 21 7.228 -2.022 -1.472
152 HD1 TYR 21 HD2 TYR 21 7.968 -1.853 0.998
153 HD2 TYR 21 HD1 TYR 21 4.789 -4.347 -0.325
154 HE1 TYR 21 HE2 TYR 21 8.193 -3.205 3.036
155 HE2 TYR 21 HE1 TYR 21 5.007 -5.713 1.711
156 HH TYR 21 HH TYR 21 6.699 -4.721 4.417
157 H TYR 22 HN TYR 22 3.115 -0.999 -1.368
158 HA TYR 22 HA TYR 22 2.343 -1.007 1.462
159 HB2 TYR 22 HB2 TYR 22 0.606 -0.837 -0.997
160 HB3 TYR 22 HB1 TYR 22 0.043 -0.753 0.656
161 HD1 TYR 22 HD2 TYR 22 2.450 0.968 -1.614
162 HD2 TYR 22 HD1 TYR 22 -0.339 1.359 1.578
163 HE1 TYR 22 HE2 TYR 22 2.763 3.405 -1.642
164 HE2 TYR 22 HE1 TYR 22 -0.027 3.795 1.554
165 HH TYR 22 HH TYR 22 1.453 5.435 -0.967
166 H VAL 23 HN VAL 23 0.850 -2.637 2.200
167 HA VAL 23 HA VAL 23 0.592 -4.959 0.450
168 HB VAL 23 HB VAL 23 2.415 -5.726 1.686
169 HG11 VAL 23 HG11 VAL 23 2.682 -5.514 4.094
170 HG12 VAL 23 HG12 VAL 23 1.144 -4.655 4.195
171 HG13 VAL 23 HG13 VAL 23 2.502 -3.931 3.328
172 HG21 VAL 23 HG21 VAL 23 -0.024 -6.695 3.182
173 HG22 VAL 23 HG22 VAL 23 1.551 -7.494 3.150
174 HG23 VAL 23 HG23 VAL 23 0.600 -7.353 1.669
175 H ASN 24 HN ASN 24 -1.376 -5.663 0.365
176 HA ASN 24 HA ASN 24 -3.406 -4.659 2.167
177 HB2 ASN 24 HB2 ASN 24 -3.841 -4.853 -0.263
178 HB3 ASN 24 HB1 ASN 24 -3.598 -6.592 -0.158
179 HD21 ASN 24 HD21 ASN 24 -5.715 -3.945 0.620
180 HD22 ASN 24 HD22 ASN 24 -7.101 -4.911 0.995
181 H HIS 25 HN HIS 25 -4.081 -5.704 3.948
182 HA HIS 25 HA HIS 25 -2.823 -8.092 4.789
183 HB2 HIS 25 HB2 HIS 25 -5.117 -6.481 5.858
184 HB3 HIS 25 HB1 HIS 25 -4.695 -8.027 6.586
185 HD1 HIS 25 HD1 HIS 25 -3.042 -7.907 8.410
186 HD2 HIS 25 HD2 HIS 25 -2.769 -4.631 5.859
187 HE1 HIS 25 HE1 HIS 25 -1.326 -6.378 9.439
188 HE2 HIS 25 HE2 HIS 25 -1.063 -4.483 7.801
189 H GLU 26 HN GLU 26 -5.911 -7.531 3.213
190 HA GLU 26 HA GLU 26 -7.043 -10.043 3.947
191 HB2 GLU 26 HB2 GLU 26 -8.523 -8.221 3.498
192 HB3 GLU 26 HB1 GLU 26 -7.832 -7.971 1.901
193 HG2 GLU 26 HG2 GLU 26 -8.856 -9.869 1.029
194 HG3 GLU 26 HG1 GLU 26 -9.185 -10.543 2.625
195 H SER 27 HN SER 27 -5.948 -8.809 0.758
196 HA SER 27 HA SER 27 -5.906 -11.576 -0.204
197 HB2 SER 27 HB2 SER 27 -6.993 -9.658 -1.495
198 HB3 SER 27 HB1 SER 27 -5.359 -9.085 -1.825
199 HG SER 27 HG SER 27 -6.451 -11.617 -2.533
200 H ARG 28 HN ARG 28 -3.920 -9.780 1.474
201 HA ARG 28 HA ARG 28 -1.708 -9.310 1.631
202 HB2 ARG 28 HB2 ARG 28 -0.325 -11.360 1.770
203 HB3 ARG 28 HB1 ARG 28 -1.808 -11.412 2.705
204 HG2 ARG 28 HG2 ARG 28 -2.839 -12.794 0.977
205 HG3 ARG 28 HG1 ARG 28 -1.333 -12.756 0.055
206 HD2 ARG 28 HD2 ARG 28 -1.831 -13.967 2.758
207 HD3 ARG 28 HD1 ARG 28 -1.348 -14.796 1.277
208 HE ARG 28 HE ARG 28 0.348 -13.201 3.048
209 HH11 ARG 28 HH11 ARG 28 0.044 -15.131 0.136
210 HH12 ARG 28 HH12 ARG 28 1.767 -15.206 -0.136
211 HH21 ARG 28 HH21 ARG 28 2.596 -13.325 2.711
212 HH22 ARG 28 HH22 ARG 28 3.216 -14.187 1.335
213 H THR 29 HN THR 29 -2.194 -8.214 -0.551
214 HA THR 29 HA THR 29 -0.269 -9.171 -2.548
215 HB THR 29 HB THR 29 -2.498 -7.173 -2.959
216 HG1 THR 29 HG1 THR 29 -2.656 -9.832 -2.655
217 HG21 THR 29 HG21 THR 29 -0.790 -8.729 -4.908
218 HG22 THR 29 HG22 THR 29 -0.674 -7.000 -4.575
219 HG23 THR 29 HG23 THR 29 -2.124 -7.655 -5.341
220 H THR 30 HN THR 30 1.450 -7.959 -3.016
221 HA THR 30 HA THR 30 1.840 -5.494 -1.503
222 HB THR 30 HB THR 30 4.245 -5.780 -2.368
223 HG1 THR 30 HG1 THR 30 3.343 -8.458 -2.803
224 HG21 THR 30 HG21 THR 30 3.511 -6.262 -0.061
225 HG22 THR 30 HG22 THR 30 4.773 -7.369 -0.602
226 HG23 THR 30 HG23 THR 30 3.094 -7.904 -0.551
227 H GLN 31 HN GLN 31 2.504 -3.561 -2.449
228 HA GLN 31 HA GLN 31 2.414 -3.379 -5.373
229 HB2 GLN 31 HB2 GLN 31 0.127 -2.964 -4.392
230 HB3 GLN 31 HB1 GLN 31 0.809 -1.580 -3.553
231 HG2 GLN 31 HG2 GLN 31 1.343 -0.539 -5.690
232 HG3 GLN 31 HG1 GLN 31 0.688 -1.933 -6.540
233 HE21 GLN 31 HE21 GLN 31 -0.827 -0.658 -7.594
234 HE22 GLN 31 HE22 GLN 31 -2.215 -0.022 -6.788
235 H TRP 32 HN TRP 32 3.974 -2.038 -6.136
236 HA TRP 32 HA TRP 32 5.604 -0.567 -4.236
237 HB2 TRP 32 HB2 TRP 32 5.860 -0.722 -7.253
238 HB3 TRP 32 HB1 TRP 32 7.066 -0.098 -6.135
239 HD1 TRP 32 HD1 TRP 32 6.139 -3.160 -7.932
240 HE1 TRP 32 HE1 TRP 32 7.467 -5.186 -7.065
241 HE3 TRP 32 HE3 TRP 32 8.016 -1.111 -3.656
242 HZ2 TRP 32 HZ2 TRP 32 9.098 -5.826 -4.857
243 HZ3 TRP 32 HZ3 TRP 32 9.450 -2.493 -2.221
244 HH2 TRP 32 HH2 TRP 32 9.981 -4.805 -2.809
245 H LYS 33 HN LYS 33 2.878 -0.035 -6.014
246 HA LYS 33 HA LYS 33 3.242 2.872 -6.131
247 HB2 LYS 33 HB2 LYS 33 1.058 1.121 -7.288
248 HB3 LYS 33 HB1 LYS 33 1.172 2.862 -7.482
249 HG2 LYS 33 HG2 LYS 33 3.239 0.918 -8.469
250 HG3 LYS 33 HG1 LYS 33 1.917 1.560 -9.444
251 HD2 LYS 33 HD2 LYS 33 4.106 3.168 -8.136
252 HD3 LYS 33 HD1 LYS 33 3.950 2.819 -9.860
253 HE2 LYS 33 HE2 LYS 33 1.777 4.003 -9.858
254 HE3 LYS 33 HE1 LYS 33 2.044 4.431 -8.169
255 HZ1 LYS 33 HZ1 LYS 33 3.342 5.448 -10.579
256 HZ2 LYS 33 HZ2 LYS 33 4.277 5.346 -9.175
257 HZ3 LYS 33 HZ3 LYS 33 2.856 6.274 -9.179
258 H ARG 34 HN ARG 34 1.111 4.056 -5.554
259 HA ARG 34 HA ARG 34 0.176 3.069 -2.984
260 HB2 ARG 34 HB2 ARG 34 -0.647 5.597 -4.428
261 HB3 ARG 34 HB1 ARG 34 -0.956 5.199 -2.746
262 HG2 ARG 34 HG2 ARG 34 1.568 5.152 -2.454
263 HG3 ARG 34 HG1 ARG 34 1.652 5.919 -4.040
264 HD2 ARG 34 HD2 ARG 34 0.269 6.980 -1.577
265 HD3 ARG 34 HD1 ARG 34 1.733 7.614 -2.325
266 HE ARG 34 HE ARG 34 -0.760 7.591 -3.875
267 HH11 ARG 34 HH11 ARG 34 1.741 9.384 -2.193
268 HH12 ARG 34 HH12 ARG 34 1.275 10.919 -2.877
269 HH21 ARG 34 HH21 ARG 34 -1.364 9.597 -4.786
270 HH22 ARG 34 HH22 ARG 34 -0.512 11.045 -4.331
271 HA PRO 35 HA PRO 35 -3.369 1.001 -4.590
272 HB2 PRO 35 HB2 PRO 35 -5.101 1.576 -2.456
273 HB3 PRO 35 HB1 PRO 35 -4.000 0.191 -2.568
274 HG2 PRO 35 HG2 PRO 35 -3.632 2.777 -1.140
275 HG3 PRO 35 HG1 PRO 35 -3.107 1.149 -0.677
276 HD2 PRO 35 HD2 PRO 35 -1.388 2.966 -1.652
277 HD3 PRO 35 HD1 PRO 35 -1.230 1.235 -2.023
278 H SER 36 HN SER 36 -4.650 1.750 -6.122
279 HA SER 36 HA SER 36 -5.511 4.421 -6.360
280 HB2 SER 36 HB2 SER 36 -6.769 1.955 -7.595
281 HB3 SER 36 HB1 SER 36 -6.869 3.605 -8.200
282 HG SER 36 HG SER 36 -4.325 3.152 -8.000
283 HA PRO 37 HA PRO 37 -9.011 4.536 -3.704
284 HB2 PRO 37 HB2 PRO 37 -10.702 5.872 -5.683
285 HB3 PRO 37 HB1 PRO 37 -9.976 6.524 -4.212
286 HG2 PRO 37 HG2 PRO 37 -9.149 7.259 -6.671
287 HG3 PRO 37 HG1 PRO 37 -8.041 7.158 -5.290
288 HD2 PRO 37 HD2 PRO 37 -8.503 5.186 -7.499
289 HD3 PRO 37 HD1 PRO 37 -6.965 5.755 -6.807
290 H GLU 38 HN GLU 38 -8.884 2.096 -5.242
291 HA GLU 38 HA GLU 38 -11.617 1.398 -5.882
292 HB2 GLU 38 HB2 GLU 38 -9.335 -0.485 -5.218
293 HB3 GLU 38 HB1 GLU 38 -10.807 -0.860 -6.101
294 HG2 GLU 38 HG2 GLU 38 -10.083 0.494 -7.961
295 HG3 GLU 38 HG1 GLU 38 -8.648 0.996 -7.067
296 H ASP 39 HN ASP 39 -12.500 2.281 -3.953
297 HA ASP 39 HA ASP 39 -12.507 0.575 -1.641
298 HB2 ASP 39 HB2 ASP 39 -10.477 1.608 -1.040
299 HB3 ASP 39 HB1 ASP 39 -10.956 3.157 -1.718
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -7.520 17.241 -0.650
2 H2 GLY 1 HT2 GLY 1 -8.890 18.239 -0.623
3 H3 GLY 1 HT3 GLY 1 -7.849 18.266 -1.959
4 HA2 GLY 1 HA1 GLY 1 -9.472 15.929 -1.112
5 HA3 GLY 1 HA2 GLY 1 -9.894 17.025 -2.421
6 H SER 2 HN SER 2 -8.751 14.082 -1.874
7 HA SER 2 HA SER 2 -7.756 13.615 -4.441
8 HB2 SER 2 HB2 SER 2 -5.336 13.151 -3.802
9 HB3 SER 2 HB1 SER 2 -5.775 14.857 -3.883
10 HG SER 2 HG SER 2 -5.822 13.364 -1.467
11 HA PRO 3 HA PRO 3 -8.260 9.417 -3.015
12 HB2 PRO 3 HB2 PRO 3 -5.955 8.570 -4.635
13 HB3 PRO 3 HB1 PRO 3 -7.658 8.130 -4.794
14 HG2 PRO 3 HG2 PRO 3 -6.453 9.746 -6.571
15 HG3 PRO 3 HG1 PRO 3 -8.147 9.973 -6.099
16 HD2 PRO 3 HD2 PRO 3 -5.706 11.453 -5.177
17 HD3 PRO 3 HD1 PRO 3 -7.308 12.086 -5.618
18 H SER 4 HN SER 4 -6.984 10.766 -1.107
19 HA SER 4 HA SER 4 -4.414 9.659 -0.472
20 HB2 SER 4 HB2 SER 4 -6.265 11.253 1.311
21 HB3 SER 4 HB1 SER 4 -4.534 10.997 1.536
22 HG SER 4 HG SER 4 -4.108 12.250 -0.236
23 HA PRO 5 HA PRO 5 -7.131 7.180 2.780
24 HB2 PRO 5 HB2 PRO 5 -9.658 6.983 1.253
25 HB3 PRO 5 HB1 PRO 5 -9.403 7.211 2.982
26 HG2 PRO 5 HG2 PRO 5 -10.264 9.212 1.447
27 HG3 PRO 5 HG1 PRO 5 -9.131 9.493 2.784
28 HD2 PRO 5 HD2 PRO 5 -8.592 9.336 -0.156
29 HD3 PRO 5 HD1 PRO 5 -7.915 10.445 1.057
30 H LEU 6 HN LEU 6 -5.988 5.406 2.313
31 HA LEU 6 HA LEU 6 -6.163 4.087 -0.240
32 HB2 LEU 6 HB2 LEU 6 -4.637 2.401 0.931
33 HB3 LEU 6 HB1 LEU 6 -4.016 4.012 0.638
34 HG LEU 6 HG LEU 6 -4.574 4.550 3.043
35 HD11 LEU 6 HD11 LEU 6 -4.913 1.562 3.224
36 HD12 LEU 6 HD12 LEU 6 -6.185 2.763 3.449
37 HD13 LEU 6 HD13 LEU 6 -4.839 2.678 4.588
38 HD21 LEU 6 HD21 LEU 6 -2.311 4.111 2.320
39 HD22 LEU 6 HD22 LEU 6 -2.574 2.374 2.448
40 HD23 LEU 6 HD23 LEU 6 -2.580 3.375 3.899
41 HA PRO 7 HA PRO 7 -9.240 1.060 0.499
42 HB2 PRO 7 HB2 PRO 7 -7.413 -1.097 -0.356
43 HB3 PRO 7 HB1 PRO 7 -8.913 -0.541 -1.099
44 HG2 PRO 7 HG2 PRO 7 -6.571 -0.022 -2.255
45 HG3 PRO 7 HG1 PRO 7 -7.889 1.169 -2.241
46 HD2 PRO 7 HD2 PRO 7 -5.473 1.019 -0.460
47 HD3 PRO 7 HD1 PRO 7 -6.140 2.417 -1.309
48 HA PRO 8 HA PRO 8 -8.666 -0.464 4.605
49 HB2 PRO 8 HB2 PRO 8 -10.670 -2.495 3.725
50 HB3 PRO 8 HB1 PRO 8 -10.681 -1.452 5.152
51 HG2 PRO 8 HG2 PRO 8 -12.240 -0.872 3.106
52 HG3 PRO 8 HG1 PRO 8 -11.344 0.420 3.930
53 HD2 PRO 8 HD2 PRO 8 -10.748 -0.922 1.319
54 HD3 PRO 8 HD1 PRO 8 -10.624 0.794 1.759
55 H GLY 9 HN GLY 9 -7.148 -1.732 5.384
56 HA2 GLY 9 HA2 GLY 9 -6.205 -3.871 5.812
57 HA3 GLY 9 HA1 GLY 9 -6.765 -4.403 4.234
58 H TRP 10 HN TRP 10 -5.674 -1.624 3.279
59 HA TRP 10 HA TRP 10 -3.054 -2.652 2.605
60 HB2 TRP 10 HB2 TRP 10 -4.596 -0.184 1.839
61 HB3 TRP 10 HB1 TRP 10 -2.903 -0.381 1.405
62 HD1 TRP 10 HD1 TRP 10 -6.311 -2.106 0.787
63 HE1 TRP 10 HE1 TRP 10 -6.168 -3.327 -1.478
64 HE3 TRP 10 HE3 TRP 10 -1.410 -1.256 -0.243
65 HZ2 TRP 10 HZ2 TRP 10 -4.186 -3.840 -3.454
66 HZ3 TRP 10 HZ3 TRP 10 -0.459 -2.119 -2.323
67 HH2 TRP 10 HH2 TRP 10 -1.818 -3.396 -3.908
68 H GLU 11 HN GLU 11 -1.270 -2.310 3.747
69 HA GLU 11 HA GLU 11 -1.173 0.062 5.493
70 HB2 GLU 11 HB2 GLU 11 0.437 -1.054 6.843
71 HB3 GLU 11 HB1 GLU 11 -0.840 -2.221 6.533
72 HG2 GLU 11 HG2 GLU 11 0.460 -3.444 5.049
73 HG3 GLU 11 HG1 GLU 11 1.610 -2.125 4.822
74 H GLU 12 HN GLU 12 0.567 1.462 5.376
75 HA GLU 12 HA GLU 12 2.129 1.395 2.944
76 HB2 GLU 12 HB2 GLU 12 1.188 3.520 3.846
77 HB3 GLU 12 HB1 GLU 12 2.235 3.353 5.251
78 HG2 GLU 12 HG2 GLU 12 4.186 3.621 3.933
79 HG3 GLU 12 HG1 GLU 12 3.265 3.506 2.435
80 H ARG 13 HN ARG 13 3.836 0.141 2.867
81 HA ARG 13 HA ARG 13 5.332 -0.393 5.349
82 HB2 ARG 13 HB2 ARG 13 3.880 -2.279 4.706
83 HB3 ARG 13 HB1 ARG 13 4.642 -2.329 3.121
84 HG2 ARG 13 HG2 ARG 13 5.558 -4.068 4.474
85 HG3 ARG 13 HG1 ARG 13 6.798 -2.836 4.252
86 HD2 ARG 13 HD2 ARG 13 5.991 -1.877 6.471
87 HD3 ARG 13 HD1 ARG 13 5.128 -3.396 6.683
88 HE ARG 13 HE ARG 13 7.891 -3.794 6.054
89 HH11 ARG 13 HH11 ARG 13 5.635 -3.115 8.644
90 HH12 ARG 13 HH12 ARG 13 6.719 -3.637 9.899
91 HH21 ARG 13 HH21 ARG 13 9.302 -4.501 7.661
92 HH22 ARG 13 HH22 ARG 13 8.819 -4.458 9.335
93 H GLN 14 HN GLN 14 7.588 -0.555 5.156
94 HA GLN 14 HA GLN 14 8.600 0.453 2.608
95 HB2 GLN 14 HB2 GLN 14 10.756 0.832 3.930
96 HB3 GLN 14 HB1 GLN 14 9.393 1.875 4.284
97 HG2 GLN 14 HG2 GLN 14 10.332 1.351 6.351
98 HG3 GLN 14 HG1 GLN 14 8.907 0.336 6.239
99 HE21 GLN 14 HE21 GLN 14 11.942 -0.314 4.582
100 HE22 GLN 14 HE22 GLN 14 12.346 -1.719 5.497
101 H ASP 15 HN ASP 15 10.020 -0.606 1.362
102 HA ASP 15 HA ASP 15 10.454 -3.418 1.965
103 HB2 ASP 15 HB2 ASP 15 9.688 -2.742 -0.288
104 HB3 ASP 15 HB1 ASP 15 11.162 -1.813 -0.506
105 H VAL 16 HN VAL 16 12.631 -4.310 1.406
106 HA VAL 16 HA VAL 16 14.610 -3.071 3.016
107 HB VAL 16 HB VAL 16 14.308 -5.521 2.661
108 HG11 VAL 16 HG11 VAL 16 15.358 -6.591 0.726
109 HG12 VAL 16 HG12 VAL 16 15.676 -5.003 0.026
110 HG13 VAL 16 HG13 VAL 16 14.016 -5.552 0.252
111 HG21 VAL 16 HG21 VAL 16 16.733 -6.041 2.686
112 HG22 VAL 16 HG22 VAL 16 16.300 -4.692 3.734
113 HG23 VAL 16 HG23 VAL 16 17.056 -4.384 2.173
114 H LEU 17 HN LEU 17 13.868 -3.067 -0.396
115 HA LEU 17 HA LEU 17 16.400 -1.957 -1.186
116 HB2 LEU 17 HB2 LEU 17 13.783 -2.185 -2.675
117 HB3 LEU 17 HB1 LEU 17 15.289 -1.637 -3.383
118 HG LEU 17 HG LEU 17 14.778 -4.392 -2.258
119 HD11 LEU 17 HD11 LEU 17 14.885 -5.127 -4.571
120 HD12 LEU 17 HD12 LEU 17 15.119 -3.462 -5.106
121 HD13 LEU 17 HD13 LEU 17 13.596 -3.947 -4.360
122 HD21 LEU 17 HD21 LEU 17 17.187 -3.270 -3.681
123 HD22 LEU 17 HD22 LEU 17 16.956 -4.955 -3.213
124 HD23 LEU 17 HD23 LEU 17 17.103 -3.705 -1.976
125 H GLY 18 HN GLY 18 13.374 -0.649 -0.007
126 HA2 GLY 18 HA2 GLY 18 13.700 1.540 1.050
127 HA3 GLY 18 HA1 GLY 18 14.651 2.001 -0.361
128 H ARG 19 HN ARG 19 12.453 0.308 -1.805
129 HA ARG 19 HA ARG 19 10.746 2.478 -2.511
130 HB2 ARG 19 HB2 ARG 19 10.724 -0.476 -3.077
131 HB3 ARG 19 HB1 ARG 19 9.354 0.527 -3.525
132 HG2 ARG 19 HG2 ARG 19 10.730 0.259 -5.428
133 HG3 ARG 19 HG1 ARG 19 10.903 1.922 -4.878
134 HD2 ARG 19 HD2 ARG 19 13.013 1.338 -3.789
135 HD3 ARG 19 HD1 ARG 19 12.838 -0.329 -4.334
136 HE ARG 19 HE ARG 19 12.699 1.143 -6.630
137 HH11 ARG 19 HH11 ARG 19 15.016 0.883 -4.014
138 HH12 ARG 19 HH12 ARG 19 16.385 1.284 -4.997
139 HH21 ARG 19 HH21 ARG 19 14.488 1.686 -7.946
140 HH22 ARG 19 HH22 ARG 19 16.082 1.709 -7.258
141 H THR 20 HN THR 20 9.332 3.272 -0.991
142 HA THR 20 HA THR 20 8.159 1.589 0.985
143 HB THR 20 HB THR 20 7.067 4.230 -0.021
144 HG1 THR 20 HG1 THR 20 8.514 4.408 2.270
145 HG21 THR 20 HG21 THR 20 6.112 4.414 2.212
146 HG22 THR 20 HG22 THR 20 6.842 2.876 2.669
147 HG23 THR 20 HG23 THR 20 5.574 2.918 1.444
148 H TYR 21 HN TYR 21 7.054 -0.119 0.212
149 HA TYR 21 HA TYR 21 5.012 0.365 -1.847
150 HB2 TYR 21 HB2 TYR 21 4.834 -2.036 -2.049
151 HB3 TYR 21 HB1 TYR 21 6.525 -1.571 -2.127
152 HD1 TYR 21 HD2 TYR 21 7.922 -1.840 0.017
153 HD2 TYR 21 HD1 TYR 21 4.132 -3.691 -0.543
154 HE1 TYR 21 HE2 TYR 21 8.447 -3.449 1.801
155 HE2 TYR 21 HE1 TYR 21 4.643 -5.292 1.248
156 HH TYR 21 HH TYR 21 7.129 -4.889 3.425
157 H TYR 22 HN TYR 22 3.069 -1.346 -1.367
158 HA TYR 22 HA TYR 22 2.223 -1.032 1.436
159 HB2 TYR 22 HB2 TYR 22 0.449 -0.749 -0.992
160 HB3 TYR 22 HB1 TYR 22 -0.089 -0.738 0.675
161 HD1 TYR 22 HD2 TYR 22 1.989 1.126 -1.767
162 HD2 TYR 22 HD1 TYR 22 -0.174 1.270 1.889
163 HE1 TYR 22 HE2 TYR 22 2.294 3.563 -1.693
164 HE2 TYR 22 HE1 TYR 22 0.123 3.703 1.977
165 HH TYR 22 HH TYR 22 1.086 5.519 -0.671
166 H VAL 23 HN VAL 23 1.030 -2.755 2.250
167 HA VAL 23 HA VAL 23 0.539 -4.968 0.395
168 HB VAL 23 HB VAL 23 2.533 -5.625 1.547
169 HG11 VAL 23 HG11 VAL 23 1.071 -5.054 4.117
170 HG12 VAL 23 HG12 VAL 23 2.461 -4.179 3.467
171 HG13 VAL 23 HG13 VAL 23 2.638 -5.854 3.987
172 HG21 VAL 23 HG21 VAL 23 1.799 -7.685 2.640
173 HG22 VAL 23 HG22 VAL 23 0.902 -7.382 1.151
174 HG23 VAL 23 HG23 VAL 23 0.154 -7.055 2.716
175 H ASN 24 HN ASN 24 -1.442 -5.659 0.431
176 HA ASN 24 HA ASN 24 -3.306 -4.696 2.406
177 HB2 ASN 24 HB2 ASN 24 -4.009 -4.860 0.072
178 HB3 ASN 24 HB1 ASN 24 -3.678 -6.589 0.072
179 HD21 ASN 24 HD21 ASN 24 -5.811 -4.084 1.204
180 HD22 ASN 24 HD22 ASN 24 -7.118 -5.122 1.653
181 H HIS 25 HN HIS 25 -4.009 -5.823 4.188
182 HA HIS 25 HA HIS 25 -2.519 -8.192 4.844
183 HB2 HIS 25 HB2 HIS 25 -4.586 -6.606 6.354
184 HB3 HIS 25 HB1 HIS 25 -3.847 -8.064 7.002
185 HD1 HIS 25 HD1 HIS 25 -3.046 -6.279 8.893
186 HD2 HIS 25 HD2 HIS 25 -1.264 -6.011 5.145
187 HE1 HIS 25 HE1 HIS 25 -0.958 -4.927 9.230
188 HE2 HIS 25 HE2 HIS 25 0.214 -4.966 6.996
189 H GLU 26 HN GLU 26 -5.538 -7.699 3.349
190 HA GLU 26 HA GLU 26 -6.684 -10.169 4.366
191 HB2 GLU 26 HB2 GLU 26 -8.065 -8.123 3.893
192 HB3 GLU 26 HB1 GLU 26 -7.754 -8.379 2.183
193 HG2 GLU 26 HG2 GLU 26 -8.889 -10.518 2.268
194 HG3 GLU 26 HG1 GLU 26 -9.137 -10.334 4.003
195 H SER 27 HN SER 27 -5.743 -8.902 1.166
196 HA SER 27 HA SER 27 -5.766 -11.631 0.118
197 HB2 SER 27 HB2 SER 27 -6.915 -9.852 -1.169
198 HB3 SER 27 HB1 SER 27 -5.379 -9.000 -1.339
199 HG SER 27 HG SER 27 -4.775 -11.306 -2.203
200 H ARG 28 HN ARG 28 -3.598 -9.545 1.529
201 HA ARG 28 HA ARG 28 -1.358 -9.562 1.850
202 HB2 ARG 28 HB2 ARG 28 -1.426 -12.253 0.485
203 HB3 ARG 28 HB1 ARG 28 -0.143 -11.639 1.516
204 HG2 ARG 28 HG2 ARG 28 -2.972 -12.185 2.392
205 HG3 ARG 28 HG1 ARG 28 -1.587 -13.240 2.680
206 HD2 ARG 28 HD2 ARG 28 -0.551 -11.625 4.097
207 HD3 ARG 28 HD1 ARG 28 -1.704 -10.381 3.618
208 HE ARG 28 HE ARG 28 -3.272 -11.277 5.061
209 HH11 ARG 28 HH11 ARG 28 -0.486 -13.371 4.871
210 HH12 ARG 28 HH12 ARG 28 -0.927 -14.302 6.266
211 HH21 ARG 28 HH21 ARG 28 -3.877 -12.526 6.893
212 HH22 ARG 28 HH22 ARG 28 -2.822 -13.803 7.427
213 H THR 29 HN THR 29 -2.448 -8.396 -0.542
214 HA THR 29 HA THR 29 -0.589 -8.985 -2.679
215 HB THR 29 HB THR 29 -2.723 -6.850 -2.610
216 HG1 THR 29 HG1 THR 29 -3.919 -8.595 -3.800
217 HG21 THR 29 HG21 THR 29 -1.066 -6.641 -4.414
218 HG22 THR 29 HG22 THR 29 -2.654 -7.071 -5.047
219 HG23 THR 29 HG23 THR 29 -1.400 -8.302 -4.912
220 H THR 30 HN THR 30 1.204 -7.877 -3.114
221 HA THR 30 HA THR 30 1.731 -5.403 -1.627
222 HB THR 30 HB THR 30 4.131 -5.864 -2.277
223 HG1 THR 30 HG1 THR 30 3.379 -7.432 -3.983
224 HG21 THR 30 HG21 THR 30 3.225 -6.383 -0.048
225 HG22 THR 30 HG22 THR 30 4.458 -7.544 -0.540
226 HG23 THR 30 HG23 THR 30 2.752 -7.980 -0.623
227 H GLN 31 HN GLN 31 1.947 -3.511 -2.684
228 HA GLN 31 HA GLN 31 2.461 -3.556 -5.577
229 HB2 GLN 31 HB2 GLN 31 0.039 -3.349 -5.301
230 HB3 GLN 31 HB1 GLN 31 0.261 -2.004 -4.192
231 HG2 GLN 31 HG2 GLN 31 1.175 -0.650 -5.976
232 HG3 GLN 31 HG1 GLN 31 1.026 -2.001 -7.100
233 HE21 GLN 31 HE21 GLN 31 -0.703 0.370 -5.221
234 HE22 GLN 31 HE22 GLN 31 -2.203 0.231 -6.069
235 H TRP 32 HN TRP 32 3.783 -1.927 -6.290
236 HA TRP 32 HA TRP 32 5.152 -0.377 -4.291
237 HB2 TRP 32 HB2 TRP 32 5.452 -0.269 -7.301
238 HB3 TRP 32 HB1 TRP 32 6.570 0.393 -6.120
239 HD1 TRP 32 HD1 TRP 32 6.119 -2.549 -8.232
240 HE1 TRP 32 HE1 TRP 32 7.625 -4.500 -7.472
241 HE3 TRP 32 HE3 TRP 32 7.493 -0.773 -3.638
242 HZ2 TRP 32 HZ2 TRP 32 9.184 -5.184 -5.233
243 HZ3 TRP 32 HZ3 TRP 32 9.002 -2.142 -2.252
244 HH2 TRP 32 HH2 TRP 32 9.828 -4.301 -3.034
245 H LYS 33 HN LYS 33 2.568 0.144 -6.532
246 HA LYS 33 HA LYS 33 2.782 3.002 -6.620
247 HB2 LYS 33 HB2 LYS 33 0.539 1.132 -7.373
248 HB3 LYS 33 HB1 LYS 33 0.438 2.877 -7.532
249 HG2 LYS 33 HG2 LYS 33 2.398 2.786 -9.045
250 HG3 LYS 33 HG1 LYS 33 2.293 1.022 -8.987
251 HD2 LYS 33 HD2 LYS 33 0.034 1.109 -9.873
252 HD3 LYS 33 HD1 LYS 33 0.072 2.872 -9.863
253 HE2 LYS 33 HE2 LYS 33 1.971 2.773 -11.466
254 HE3 LYS 33 HE1 LYS 33 1.764 1.023 -11.535
255 HZ1 LYS 33 HZ1 LYS 33 0.615 1.994 -13.376
256 HZ2 LYS 33 HZ2 LYS 33 -0.204 3.089 -12.368
257 HZ3 LYS 33 HZ3 LYS 33 -0.554 1.432 -12.277
258 H ARG 34 HN ARG 34 0.914 4.374 -5.944
259 HA ARG 34 HA ARG 34 0.154 3.781 -3.199
260 HB2 ARG 34 HB2 ARG 34 -0.581 6.208 -4.852
261 HB3 ARG 34 HB1 ARG 34 -0.623 6.054 -3.102
262 HG2 ARG 34 HG2 ARG 34 1.842 6.092 -4.832
263 HG3 ARG 34 HG1 ARG 34 1.274 7.392 -3.781
264 HD2 ARG 34 HD2 ARG 34 1.562 5.936 -1.838
265 HD3 ARG 34 HD1 ARG 34 2.131 4.644 -2.892
266 HE ARG 34 HE ARG 34 3.578 7.207 -2.714
267 HH11 ARG 34 HH11 ARG 34 3.464 3.722 -2.503
268 HH12 ARG 34 HH12 ARG 34 5.160 3.536 -2.190
269 HH21 ARG 34 HH21 ARG 34 5.816 6.998 -2.322
270 HH22 ARG 34 HH22 ARG 34 6.510 5.425 -2.109
271 HA PRO 35 HA PRO 35 -3.526 1.853 -5.025
272 HB2 PRO 35 HB2 PRO 35 -4.622 1.090 -2.626
273 HB3 PRO 35 HB1 PRO 35 -3.399 0.156 -3.501
274 HG2 PRO 35 HG2 PRO 35 -3.047 2.064 -1.220
275 HG3 PRO 35 HG1 PRO 35 -2.294 0.478 -1.479
276 HD2 PRO 35 HD2 PRO 35 -0.956 2.734 -1.977
277 HD3 PRO 35 HD1 PRO 35 -0.775 1.316 -3.022
278 H SER 36 HN SER 36 -5.010 3.216 -5.734
279 HA SER 36 HA SER 36 -6.335 5.154 -4.073
280 HB2 SER 36 HB2 SER 36 -7.107 4.016 -6.775
281 HB3 SER 36 HB1 SER 36 -7.770 5.479 -6.043
282 HG SER 36 HG SER 36 -5.006 5.371 -6.259
283 HA PRO 37 HA PRO 37 -9.473 2.578 -2.344
284 HB2 PRO 37 HB2 PRO 37 -11.744 4.178 -3.249
285 HB3 PRO 37 HB1 PRO 37 -11.084 3.994 -1.622
286 HG2 PRO 37 HG2 PRO 37 -10.864 6.300 -3.007
287 HG3 PRO 37 HG1 PRO 37 -9.610 5.747 -1.880
288 HD2 PRO 37 HD2 PRO 37 -9.698 5.508 -4.873
289 HD3 PRO 37 HD1 PRO 37 -8.352 6.019 -3.826
290 H GLU 38 HN GLU 38 -8.908 2.234 -5.332
291 HA GLU 38 HA GLU 38 -11.364 1.080 -6.330
292 HB2 GLU 38 HB2 GLU 38 -9.873 0.352 -8.247
293 HB3 GLU 38 HB1 GLU 38 -9.984 2.089 -7.997
294 HG2 GLU 38 HG2 GLU 38 -7.828 2.022 -6.800
295 HG3 GLU 38 HG1 GLU 38 -7.723 0.297 -7.145
296 H ASP 39 HN ASP 39 -11.598 -0.276 -4.488
297 HA ASP 39 HA ASP 39 -10.402 -2.890 -4.921
298 HB2 ASP 39 HB2 ASP 39 -8.874 -2.094 -3.281
299 HB3 ASP 39 HB1 ASP 39 -10.155 -1.347 -2.334
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -3.934 19.047 -5.858
2 H2 GLY 1 HT2 GLY 1 -3.905 17.598 -6.746
3 H3 GLY 1 HT3 GLY 1 -2.545 18.609 -6.723
4 HA2 GLY 1 HA1 GLY 1 -2.281 16.659 -5.282
5 HA3 GLY 1 HA2 GLY 1 -2.159 18.189 -4.422
6 H SER 2 HN SER 2 -2.724 15.866 -3.073
7 HA SER 2 HA SER 2 -5.007 16.509 -1.605
8 HB2 SER 2 HB2 SER 2 -6.265 15.758 -3.607
9 HB3 SER 2 HB1 SER 2 -5.447 14.197 -3.528
10 HG SER 2 HG SER 2 -6.377 14.158 -1.280
11 HA PRO 3 HA PRO 3 -2.481 13.725 0.943
12 HB2 PRO 3 HB2 PRO 3 -4.774 14.266 2.766
13 HB3 PRO 3 HB1 PRO 3 -3.037 14.379 3.078
14 HG2 PRO 3 HG2 PRO 3 -4.512 16.577 2.768
15 HG3 PRO 3 HG1 PRO 3 -2.868 16.478 2.111
16 HD2 PRO 3 HD2 PRO 3 -5.491 16.255 0.695
17 HD3 PRO 3 HD1 PRO 3 -3.983 17.028 0.164
18 H SER 4 HN SER 4 -2.717 11.685 0.211
19 HA SER 4 HA SER 4 -5.387 10.633 -0.222
20 HB2 SER 4 HB2 SER 4 -3.799 10.417 -2.030
21 HB3 SER 4 HB1 SER 4 -2.656 9.578 -0.983
22 HG SER 4 HG SER 4 -4.819 8.173 -0.795
23 HA PRO 5 HA PRO 5 -5.095 7.966 3.401
24 HB2 PRO 5 HB2 PRO 5 -7.699 7.239 3.307
25 HB3 PRO 5 HB1 PRO 5 -7.174 8.761 4.044
26 HG2 PRO 5 HG2 PRO 5 -8.319 8.264 1.322
27 HG3 PRO 5 HG1 PRO 5 -8.692 9.565 2.467
28 HD2 PRO 5 HD2 PRO 5 -7.032 9.896 0.344
29 HD3 PRO 5 HD1 PRO 5 -6.844 10.792 1.862
30 H LEU 6 HN LEU 6 -5.730 5.571 3.499
31 HA LEU 6 HA LEU 6 -5.594 4.480 0.780
32 HB2 LEU 6 HB2 LEU 6 -4.359 2.529 1.863
33 HB3 LEU 6 HB1 LEU 6 -3.493 4.025 1.588
34 HG LEU 6 HG LEU 6 -3.909 4.588 4.014
35 HD11 LEU 6 HD11 LEU 6 -5.754 3.052 4.433
36 HD12 LEU 6 HD12 LEU 6 -4.410 2.753 5.534
37 HD13 LEU 6 HD13 LEU 6 -4.680 1.679 4.163
38 HD21 LEU 6 HD21 LEU 6 -1.756 3.839 3.214
39 HD22 LEU 6 HD22 LEU 6 -2.266 2.155 3.327
40 HD23 LEU 6 HD23 LEU 6 -2.087 3.121 4.792
41 HA PRO 7 HA PRO 7 -9.160 2.041 1.344
42 HB2 PRO 7 HB2 PRO 7 -7.675 -0.228 0.151
43 HB3 PRO 7 HB1 PRO 7 -9.134 0.585 -0.411
44 HG2 PRO 7 HG2 PRO 7 -6.838 0.967 -1.676
45 HG3 PRO 7 HG1 PRO 7 -7.971 2.304 -1.409
46 HD2 PRO 7 HD2 PRO 7 -5.474 1.620 0.103
47 HD3 PRO 7 HD1 PRO 7 -6.037 3.202 -0.478
48 HA PRO 8 HA PRO 8 -9.005 -0.317 5.000
49 HB2 PRO 8 HB2 PRO 8 -10.850 -2.288 4.549
50 HB3 PRO 8 HB1 PRO 8 -11.266 -0.617 4.941
51 HG2 PRO 8 HG2 PRO 8 -11.176 -1.972 2.277
52 HG3 PRO 8 HG1 PRO 8 -12.374 -0.829 2.911
53 HD2 PRO 8 HD2 PRO 8 -10.450 -0.066 1.190
54 HD3 PRO 8 HD1 PRO 8 -11.032 1.005 2.481
55 H GLY 9 HN GLY 9 -7.287 -1.488 5.502
56 HA2 GLY 9 HA2 GLY 9 -6.396 -3.662 5.884
57 HA3 GLY 9 HA1 GLY 9 -7.080 -4.175 4.346
58 H TRP 10 HN TRP 10 -5.848 -1.277 3.580
59 HA TRP 10 HA TRP 10 -3.452 -2.480 2.511
60 HB2 TRP 10 HB2 TRP 10 -4.886 0.088 2.074
61 HB3 TRP 10 HB1 TRP 10 -3.163 0.023 1.692
62 HD1 TRP 10 HD1 TRP 10 -6.516 -1.479 0.620
63 HE1 TRP 10 HE1 TRP 10 -6.227 -2.566 -1.694
64 HE3 TRP 10 HE3 TRP 10 -1.462 -1.019 0.166
65 HZ2 TRP 10 HZ2 TRP 10 -4.113 -3.151 -3.478
66 HZ3 TRP 10 HZ3 TRP 10 -0.372 -1.873 -1.868
67 HH2 TRP 10 HH2 TRP 10 -1.672 -2.920 -3.657
68 H GLU 11 HN GLU 11 -1.540 -2.366 3.208
69 HA GLU 11 HA GLU 11 -1.019 -0.888 5.686
70 HB2 GLU 11 HB2 GLU 11 -0.855 -3.251 5.931
71 HB3 GLU 11 HB1 GLU 11 0.052 -3.408 4.437
72 HG2 GLU 11 HG2 GLU 11 1.625 -3.708 6.093
73 HG3 GLU 11 HG1 GLU 11 1.832 -2.031 5.572
74 H GLU 12 HN GLU 12 0.328 0.832 5.525
75 HA GLU 12 HA GLU 12 1.899 1.177 3.104
76 HB2 GLU 12 HB2 GLU 12 0.608 3.079 3.969
77 HB3 GLU 12 HB1 GLU 12 1.516 3.016 5.475
78 HG2 GLU 12 HG2 GLU 12 3.584 3.480 4.196
79 HG3 GLU 12 HG1 GLU 12 2.598 3.676 2.746
80 H ARG 13 HN ARG 13 3.790 0.104 3.073
81 HA ARG 13 HA ARG 13 5.548 0.375 5.427
82 HB2 ARG 13 HB2 ARG 13 5.302 -1.984 3.550
83 HB3 ARG 13 HB1 ARG 13 6.487 -1.844 4.849
84 HG2 ARG 13 HG2 ARG 13 3.499 -2.122 5.102
85 HG3 ARG 13 HG1 ARG 13 4.746 -3.268 5.602
86 HD2 ARG 13 HD2 ARG 13 4.248 -0.535 6.784
87 HD3 ARG 13 HD1 ARG 13 3.838 -2.081 7.519
88 HE ARG 13 HE ARG 13 6.283 -2.528 7.577
89 HH11 ARG 13 HH11 ARG 13 5.092 0.752 7.340
90 HH12 ARG 13 HH12 ARG 13 6.465 1.462 8.138
91 HH21 ARG 13 HH21 ARG 13 8.094 -1.637 8.657
92 HH22 ARG 13 HH22 ARG 13 8.186 0.086 8.905
93 H GLN 14 HN GLN 14 7.901 0.041 4.829
94 HA GLN 14 HA GLN 14 8.438 0.899 2.077
95 HB2 GLN 14 HB2 GLN 14 10.342 2.312 2.957
96 HB3 GLN 14 HB1 GLN 14 8.732 2.923 3.291
97 HG2 GLN 14 HG2 GLN 14 9.748 3.261 5.310
98 HG3 GLN 14 HG1 GLN 14 9.047 1.666 5.566
99 HE21 GLN 14 HE21 GLN 14 11.837 2.273 3.567
100 HE22 GLN 14 HE22 GLN 14 12.976 1.466 4.579
101 H ASP 15 HN ASP 15 10.154 -0.015 1.093
102 HA ASP 15 HA ASP 15 11.245 -2.369 2.413
103 HB2 ASP 15 HB2 ASP 15 10.242 -2.331 0.048
104 HB3 ASP 15 HB1 ASP 15 11.732 -1.514 -0.405
105 H VAL 16 HN VAL 16 13.582 -2.871 2.028
106 HA VAL 16 HA VAL 16 15.264 -0.736 2.820
107 HB VAL 16 HB VAL 16 17.133 -2.290 2.385
108 HG11 VAL 16 HG11 VAL 16 16.005 -2.294 4.535
109 HG12 VAL 16 HG12 VAL 16 16.522 -3.925 4.107
110 HG13 VAL 16 HG13 VAL 16 14.829 -3.462 3.930
111 HG21 VAL 16 HG21 VAL 16 16.704 -4.593 1.718
112 HG22 VAL 16 HG22 VAL 16 16.199 -3.474 0.451
113 HG23 VAL 16 HG23 VAL 16 14.993 -4.222 1.499
114 H LEU 17 HN LEU 17 14.179 -1.929 -0.218
115 HA LEU 17 HA LEU 17 16.098 -0.763 -1.924
116 HB2 LEU 17 HB2 LEU 17 13.151 -1.266 -2.350
117 HB3 LEU 17 HB1 LEU 17 14.255 -0.771 -3.616
118 HG LEU 17 HG LEU 17 14.477 -3.343 -2.055
119 HD11 LEU 17 HD11 LEU 17 12.497 -3.347 -3.463
120 HD12 LEU 17 HD12 LEU 17 13.731 -4.395 -4.161
121 HD13 LEU 17 HD13 LEU 17 13.446 -2.793 -4.841
122 HD21 LEU 17 HD21 LEU 17 16.628 -2.547 -2.854
123 HD22 LEU 17 HD22 LEU 17 15.962 -2.302 -4.469
124 HD23 LEU 17 HD23 LEU 17 16.106 -3.934 -3.812
125 H GLY 18 HN GLY 18 13.374 0.547 -0.152
126 HA2 GLY 18 HA2 GLY 18 13.385 2.878 0.442
127 HA3 GLY 18 HA1 GLY 18 14.171 3.230 -1.100
128 H ARG 19 HN ARG 19 12.178 1.064 -2.121
129 HA ARG 19 HA ARG 19 10.109 2.846 -2.959
130 HB2 ARG 19 HB2 ARG 19 9.775 -0.117 -3.006
131 HB3 ARG 19 HB1 ARG 19 9.211 1.079 -4.161
132 HG2 ARG 19 HG2 ARG 19 12.005 0.032 -3.819
133 HG3 ARG 19 HG1 ARG 19 10.894 -0.226 -5.158
134 HD2 ARG 19 HD2 ARG 19 11.429 2.576 -4.619
135 HD3 ARG 19 HD1 ARG 19 12.858 1.653 -5.075
136 HE ARG 19 HE ARG 19 10.413 1.842 -6.710
137 HH11 ARG 19 HH11 ARG 19 13.891 1.631 -6.374
138 HH12 ARG 19 HH12 ARG 19 14.190 1.484 -8.083
139 HH21 ARG 19 HH21 ARG 19 10.799 1.668 -8.981
140 HH22 ARG 19 HH22 ARG 19 12.425 1.493 -9.556
141 H THR 20 HN THR 20 8.169 3.236 -1.867
142 HA THR 20 HA THR 20 7.746 1.914 0.638
143 HB THR 20 HB THR 20 5.335 3.089 0.006
144 HG1 THR 20 HG1 THR 20 6.865 5.194 -0.747
145 HG21 THR 20 HG21 THR 20 6.521 3.367 2.109
146 HG22 THR 20 HG22 THR 20 6.114 4.950 1.448
147 HG23 THR 20 HG23 THR 20 7.761 4.335 1.310
148 H TYR 21 HN TYR 21 7.276 -0.177 0.597
149 HA TYR 21 HA TYR 21 5.471 -1.143 -1.495
150 HB2 TYR 21 HB2 TYR 21 6.266 -3.314 -1.168
151 HB3 TYR 21 HB1 TYR 21 7.701 -2.327 -0.943
152 HD1 TYR 21 HD2 TYR 21 8.582 -1.961 1.368
153 HD2 TYR 21 HD1 TYR 21 5.429 -4.715 0.582
154 HE1 TYR 21 HE2 TYR 21 8.967 -3.023 3.552
155 HE2 TYR 21 HE1 TYR 21 5.812 -5.776 2.769
156 HH TYR 21 HH TYR 21 7.751 -4.353 5.191
157 H TYR 22 HN TYR 22 3.419 -1.578 -1.084
158 HA TYR 22 HA TYR 22 2.629 -1.608 1.748
159 HB2 TYR 22 HB2 TYR 22 0.664 -1.129 -0.420
160 HB3 TYR 22 HB1 TYR 22 0.651 -0.550 1.223
161 HD1 TYR 22 HD1 TYR 22 2.429 1.247 1.828
162 HD2 TYR 22 HD2 TYR 22 1.298 0.282 -2.154
163 HE1 TYR 22 HE1 TYR 22 3.272 3.422 1.068
164 HE2 TYR 22 HE2 TYR 22 2.147 2.456 -2.928
165 HH TYR 22 HH TYR 22 4.188 4.339 -1.249
166 H VAL 23 HN VAL 23 1.130 -3.159 2.446
167 HA VAL 23 HA VAL 23 0.647 -5.327 0.530
168 HB VAL 23 HB VAL 23 2.387 -6.092 2.014
169 HG11 VAL 23 HG11 VAL 23 2.093 -6.269 4.424
170 HG12 VAL 23 HG12 VAL 23 0.518 -5.489 4.302
171 HG13 VAL 23 HG13 VAL 23 1.981 -4.588 3.898
172 HG21 VAL 23 HG21 VAL 23 0.775 -7.757 1.327
173 HG22 VAL 23 HG22 VAL 23 -0.273 -7.348 2.686
174 HG23 VAL 23 HG23 VAL 23 1.304 -8.086 2.976
175 H ASN 24 HN ASN 24 -1.393 -5.645 0.169
176 HA ASN 24 HA ASN 24 -3.462 -4.637 1.873
177 HB2 ASN 24 HB2 ASN 24 -3.836 -4.806 -0.530
178 HB3 ASN 24 HB1 ASN 24 -3.544 -6.543 -0.482
179 HD21 ASN 24 HD21 ASN 24 -5.774 -3.984 0.270
180 HD22 ASN 24 HD22 ASN 24 -7.149 -4.994 0.547
181 H HIS 25 HN HIS 25 -4.116 -5.578 3.717
182 HA HIS 25 HA HIS 25 -2.956 -8.010 4.585
183 HB2 HIS 25 HB2 HIS 25 -5.020 -6.164 5.719
184 HB3 HIS 25 HB1 HIS 25 -4.711 -7.711 6.493
185 HD1 HIS 25 HD1 HIS 25 -2.869 -7.753 8.141
186 HD2 HIS 25 HD2 HIS 25 -2.610 -4.473 5.598
187 HE1 HIS 25 HE1 HIS 25 -0.982 -6.344 9.040
188 HE2 HIS 25 HE2 HIS 25 -0.977 -4.276 7.606
189 H GLU 26 HN GLU 26 -5.697 -7.542 2.644
190 HA GLU 26 HA GLU 26 -7.158 -9.824 3.654
191 HB2 GLU 26 HB2 GLU 26 -8.315 -7.829 2.731
192 HB3 GLU 26 HB1 GLU 26 -7.625 -8.182 1.156
193 HG2 GLU 26 HG2 GLU 26 -9.173 -10.354 2.411
194 HG3 GLU 26 HG1 GLU 26 -10.081 -8.931 1.907
195 H SER 27 HN SER 27 -5.627 -9.038 0.513
196 HA SER 27 HA SER 27 -5.569 -11.914 -0.074
197 HB2 SER 27 HB2 SER 27 -6.593 -10.293 -1.703
198 HB3 SER 27 HB1 SER 27 -4.989 -9.604 -1.942
199 HG SER 27 HG SER 27 -5.780 -11.328 -3.449
200 H ARG 28 HN ARG 28 -3.620 -9.567 1.179
201 HA ARG 28 HA ARG 28 -1.436 -9.437 1.751
202 HB2 ARG 28 HB2 ARG 28 -1.193 -12.223 0.619
203 HB3 ARG 28 HB1 ARG 28 -0.038 -11.432 1.679
204 HG2 ARG 28 HG2 ARG 28 -1.698 -11.382 3.463
205 HG3 ARG 28 HG1 ARG 28 -2.873 -12.152 2.395
206 HD2 ARG 28 HD2 ARG 28 -0.306 -13.318 3.459
207 HD3 ARG 28 HD1 ARG 28 -1.950 -13.858 3.787
208 HE ARG 28 HE ARG 28 -0.767 -14.023 1.089
209 HH11 ARG 28 HH11 ARG 28 -2.531 -15.443 3.753
210 HH12 ARG 28 HH12 ARG 28 -2.705 -16.984 2.973
211 HH21 ARG 28 HH21 ARG 28 -1.045 -16.029 0.045
212 HH22 ARG 28 HH22 ARG 28 -1.904 -17.310 0.850
213 H THR 29 HN THR 29 -2.428 -8.676 -0.909
214 HA THR 29 HA THR 29 -0.318 -9.103 -2.788
215 HB THR 29 HB THR 29 -2.367 -6.882 -2.842
216 HG1 THR 29 HG1 THR 29 -2.651 -9.503 -3.951
217 HG21 THR 29 HG21 THR 29 -0.550 -6.708 -4.479
218 HG22 THR 29 HG22 THR 29 -2.093 -7.051 -5.266
219 HG23 THR 29 HG23 THR 29 -0.906 -8.339 -5.050
220 H THR 30 HN THR 30 1.655 -8.238 -2.536
221 HA THR 30 HA THR 30 1.982 -5.637 -1.274
222 HB THR 30 HB THR 30 4.449 -6.094 -1.776
223 HG1 THR 30 HG1 THR 30 3.925 -7.785 -3.358
224 HG21 THR 30 HG21 THR 30 2.946 -7.997 0.034
225 HG22 THR 30 HG22 THR 30 3.489 -6.371 0.449
226 HG23 THR 30 HG23 THR 30 4.672 -7.638 0.126
227 H GLN 31 HN GLN 31 2.102 -3.807 -2.378
228 HA GLN 31 HA GLN 31 2.704 -3.928 -5.255
229 HB2 GLN 31 HB2 GLN 31 0.264 -3.805 -4.853
230 HB3 GLN 31 HB1 GLN 31 0.501 -2.310 -3.963
231 HG2 GLN 31 HG2 GLN 31 1.285 -1.207 -5.957
232 HG3 GLN 31 HG1 GLN 31 1.181 -2.715 -6.864
233 HE21 GLN 31 HE21 GLN 31 -0.622 -0.136 -5.374
234 HE22 GLN 31 HE22 GLN 31 -2.132 -0.490 -6.146
235 H TRP 32 HN TRP 32 3.988 -2.293 -6.027
236 HA TRP 32 HA TRP 32 5.231 -0.521 -4.106
237 HB2 TRP 32 HB2 TRP 32 5.619 -0.554 -7.110
238 HB3 TRP 32 HB1 TRP 32 6.699 0.140 -5.908
239 HD1 TRP 32 HD1 TRP 32 6.138 -2.939 -7.866
240 HE1 TRP 32 HE1 TRP 32 7.740 -4.802 -7.110
241 HE3 TRP 32 HE3 TRP 32 7.794 -0.842 -3.526
242 HZ2 TRP 32 HZ2 TRP 32 9.472 -5.313 -4.940
243 HZ3 TRP 32 HZ3 TRP 32 9.423 -2.074 -2.164
244 HH2 TRP 32 HH2 TRP 32 10.239 -4.273 -2.853
245 H LYS 33 HN LYS 33 2.705 -0.426 -6.430
246 HA LYS 33 HA LYS 33 2.717 2.423 -6.785
247 HB2 LYS 33 HB2 LYS 33 1.956 1.064 -8.624
248 HB3 LYS 33 HB1 LYS 33 0.758 0.272 -7.612
249 HG2 LYS 33 HG2 LYS 33 -0.292 1.873 -9.082
250 HG3 LYS 33 HG1 LYS 33 -0.447 2.394 -7.405
251 HD2 LYS 33 HD2 LYS 33 1.409 3.953 -7.715
252 HD3 LYS 33 HD1 LYS 33 1.579 3.426 -9.393
253 HE2 LYS 33 HE2 LYS 33 -0.827 4.784 -8.170
254 HE3 LYS 33 HE1 LYS 33 0.338 5.519 -9.271
255 HZ1 LYS 33 HZ1 LYS 33 -1.661 4.847 -10.441
256 HZ2 LYS 33 HZ2 LYS 33 -1.466 3.252 -9.913
257 HZ3 LYS 33 HZ3 LYS 33 -0.335 3.931 -10.972
258 H ARG 34 HN ARG 34 1.699 3.891 -5.611
259 HA ARG 34 HA ARG 34 0.408 3.446 -3.189
260 HB2 ARG 34 HB2 ARG 34 1.365 5.609 -3.955
261 HB3 ARG 34 HB1 ARG 34 0.042 5.770 -5.100
262 HG2 ARG 34 HG2 ARG 34 -0.420 7.135 -3.192
263 HG3 ARG 34 HG1 ARG 34 -1.537 5.765 -3.186
264 HD2 ARG 34 HD2 ARG 34 -0.177 4.618 -1.555
265 HD3 ARG 34 HD1 ARG 34 1.023 5.904 -1.612
266 HE ARG 34 HE ARG 34 -1.627 6.761 -0.843
267 HH11 ARG 34 HH11 ARG 34 1.499 5.622 0.190
268 HH12 ARG 34 HH12 ARG 34 1.325 6.185 1.831
269 HH21 ARG 34 HH21 ARG 34 -1.864 7.578 1.312
270 HH22 ARG 34 HH22 ARG 34 -0.573 7.331 2.444
271 HA PRO 35 HA PRO 35 -3.557 2.009 -4.770
272 HB2 PRO 35 HB2 PRO 35 -4.795 1.796 -2.354
273 HB3 PRO 35 HB1 PRO 35 -3.667 0.575 -2.967
274 HG2 PRO 35 HG2 PRO 35 -3.185 2.769 -0.995
275 HG3 PRO 35 HG1 PRO 35 -2.609 1.093 -0.969
276 HD2 PRO 35 HD2 PRO 35 -1.056 3.187 -1.750
277 HD3 PRO 35 HD1 PRO 35 -0.859 1.546 -2.389
278 H SER 36 HN SER 36 -4.818 3.508 -5.690
279 HA SER 36 HA SER 36 -5.432 6.027 -4.654
280 HB2 SER 36 HB2 SER 36 -7.099 4.326 -6.529
281 HB3 SER 36 HB1 SER 36 -7.215 6.077 -6.338
282 HG SER 36 HG SER 36 -5.936 5.372 -8.164
283 HA PRO 37 HA PRO 37 -8.200 5.018 -1.413
284 HB2 PRO 37 HB2 PRO 37 -9.659 7.509 -1.722
285 HB3 PRO 37 HB1 PRO 37 -8.485 7.064 -0.480
286 HG2 PRO 37 HG2 PRO 37 -8.006 8.951 -2.387
287 HG3 PRO 37 HG1 PRO 37 -6.726 7.980 -1.638
288 HD2 PRO 37 HD2 PRO 37 -8.064 7.636 -4.295
289 HD3 PRO 37 HD1 PRO 37 -6.346 7.458 -3.868
290 H GLU 38 HN GLU 38 -9.087 4.484 -4.309
291 HA GLU 38 HA GLU 38 -11.967 4.760 -4.140
292 HB2 GLU 38 HB2 GLU 38 -11.896 3.512 -6.330
293 HB3 GLU 38 HB1 GLU 38 -11.025 5.040 -6.322
294 HG2 GLU 38 HG2 GLU 38 -8.923 3.939 -6.205
295 HG3 GLU 38 HG1 GLU 38 -9.687 2.387 -5.872
296 H ASP 39 HN ASP 39 -11.985 3.543 -2.120
297 HA ASP 39 HA ASP 39 -12.978 0.964 -2.401
298 HB2 ASP 39 HB2 ASP 39 -10.615 0.377 -2.932
299 HB3 ASP 39 HB1 ASP 39 -10.134 0.965 -1.344
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 2.426 8.077 9.191
2 H2 GLY 1 HT2 GLY 1 2.616 8.186 7.504
3 H3 GLY 1 HT3 GLY 1 1.404 7.202 8.160
4 HA2 GLY 1 HA1 GLY 1 1.527 10.149 8.467
5 HA3 GLY 1 HA2 GLY 1 0.535 9.318 7.275
6 H SER 2 HN SER 2 -0.876 10.865 8.829
7 HA SER 2 HA SER 2 -1.984 9.071 10.880
8 HB2 SER 2 HB2 SER 2 -2.064 12.100 10.844
9 HB3 SER 2 HB1 SER 2 -2.808 11.070 12.067
10 HG SER 2 HG SER 2 -0.955 11.118 13.033
11 HA PRO 3 HA PRO 3 -5.832 10.660 8.675
12 HB2 PRO 3 HB2 PRO 3 -5.850 12.828 7.114
13 HB3 PRO 3 HB1 PRO 3 -5.805 12.961 8.874
14 HG2 PRO 3 HG2 PRO 3 -3.652 13.413 6.894
15 HG3 PRO 3 HG1 PRO 3 -3.895 14.150 8.485
16 HD2 PRO 3 HD2 PRO 3 -2.157 12.000 7.823
17 HD3 PRO 3 HD1 PRO 3 -2.514 12.638 9.438
18 H SER 4 HN SER 4 -3.423 9.354 7.298
19 HA SER 4 HA SER 4 -3.502 9.707 4.538
20 HB2 SER 4 HB2 SER 4 -2.855 7.141 6.002
21 HB3 SER 4 HB1 SER 4 -2.259 7.645 4.420
22 HG SER 4 HG SER 4 -1.112 9.299 5.412
23 HA PRO 5 HA PRO 5 -7.398 7.635 3.766
24 HB2 PRO 5 HB2 PRO 5 -7.483 8.567 1.127
25 HB3 PRO 5 HB1 PRO 5 -8.181 9.367 2.534
26 HG2 PRO 5 HG2 PRO 5 -6.007 10.266 0.959
27 HG3 PRO 5 HG1 PRO 5 -6.591 10.969 2.475
28 HD2 PRO 5 HD2 PRO 5 -4.283 9.171 1.988
29 HD3 PRO 5 HD1 PRO 5 -4.532 10.374 3.271
30 H LEU 6 HN LEU 6 -6.429 5.519 3.818
31 HA LEU 6 HA LEU 6 -5.746 4.476 1.148
32 HB2 LEU 6 HB2 LEU 6 -4.926 3.420 3.858
33 HB3 LEU 6 HB1 LEU 6 -4.518 2.686 2.317
34 HG LEU 6 HG LEU 6 -3.631 5.410 3.262
35 HD11 LEU 6 HD11 LEU 6 -2.096 2.827 2.971
36 HD12 LEU 6 HD12 LEU 6 -2.539 3.608 4.488
37 HD13 LEU 6 HD13 LEU 6 -1.403 4.393 3.392
38 HD21 LEU 6 HD21 LEU 6 -2.872 3.871 0.777
39 HD22 LEU 6 HD22 LEU 6 -2.211 5.429 1.284
40 HD23 LEU 6 HD23 LEU 6 -3.913 5.297 0.831
41 HA PRO 7 HA PRO 7 -9.277 1.814 1.296
42 HB2 PRO 7 HB2 PRO 7 -7.679 -0.378 0.241
43 HB3 PRO 7 HB1 PRO 7 -9.007 0.482 -0.508
44 HG2 PRO 7 HG2 PRO 7 -6.399 0.698 -1.275
45 HG3 PRO 7 HG1 PRO 7 -7.621 1.944 -1.555
46 HD2 PRO 7 HD2 PRO 7 -5.412 1.869 0.404
47 HD3 PRO 7 HD1 PRO 7 -6.224 3.262 -0.329
48 HA PRO 8 HA PRO 8 -9.001 -0.608 4.987
49 HB2 PRO 8 HB2 PRO 8 -10.779 -2.633 4.335
50 HB3 PRO 8 HB1 PRO 8 -11.238 -1.058 4.987
51 HG2 PRO 8 HG2 PRO 8 -11.242 -2.015 2.158
52 HG3 PRO 8 HG1 PRO 8 -12.414 -0.981 2.992
53 HD2 PRO 8 HD2 PRO 8 -10.603 0.030 1.296
54 HD3 PRO 8 HD1 PRO 8 -11.092 0.909 2.762
55 H GLY 9 HN GLY 9 -7.295 -1.819 5.455
56 HA2 GLY 9 HA2 GLY 9 -6.328 -3.994 5.595
57 HA3 GLY 9 HA1 GLY 9 -6.944 -4.340 3.986
58 H TRP 10 HN TRP 10 -5.912 -1.465 3.319
59 HA TRP 10 HA TRP 10 -3.272 -2.363 2.469
60 HB2 TRP 10 HB2 TRP 10 -5.003 0.006 1.823
61 HB3 TRP 10 HB1 TRP 10 -3.297 0.006 1.394
62 HD1 TRP 10 HD1 TRP 10 -6.598 -1.769 0.524
63 HE1 TRP 10 HE1 TRP 10 -6.309 -2.929 -1.759
64 HE3 TRP 10 HE3 TRP 10 -1.605 -0.958 -0.173
65 HZ2 TRP 10 HZ2 TRP 10 -4.229 -3.425 -3.604
66 HZ3 TRP 10 HZ3 TRP 10 -0.547 -1.803 -2.221
67 HH2 TRP 10 HH2 TRP 10 -1.827 -3.010 -3.903
68 H GLU 11 HN GLU 11 -1.435 -1.871 3.510
69 HA GLU 11 HA GLU 11 -1.444 0.540 5.209
70 HB2 GLU 11 HB2 GLU 11 0.000 -0.597 6.806
71 HB3 GLU 11 HB1 GLU 11 -1.508 -1.476 6.609
72 HG2 GLU 11 HG2 GLU 11 -0.491 -3.191 5.425
73 HG3 GLU 11 HG1 GLU 11 0.937 -2.218 5.055
74 H GLU 12 HN GLU 12 0.675 1.467 5.582
75 HA GLU 12 HA GLU 12 2.270 1.476 3.145
76 HB2 GLU 12 HB2 GLU 12 1.597 3.632 4.065
77 HB3 GLU 12 HB1 GLU 12 2.291 3.211 5.624
78 HG2 GLU 12 HG2 GLU 12 4.521 3.045 4.381
79 HG3 GLU 12 HG1 GLU 12 3.710 3.899 3.071
80 H ARG 13 HN ARG 13 4.048 0.234 3.017
81 HA ARG 13 HA ARG 13 5.649 -0.203 5.453
82 HB2 ARG 13 HB2 ARG 13 4.791 -2.196 3.363
83 HB3 ARG 13 HB1 ARG 13 6.168 -2.490 4.420
84 HG2 ARG 13 HG2 ARG 13 3.358 -1.975 5.373
85 HG3 ARG 13 HG1 ARG 13 4.053 -3.576 5.135
86 HD2 ARG 13 HD2 ARG 13 4.262 -3.127 7.437
87 HD3 ARG 13 HD1 ARG 13 5.869 -2.877 6.764
88 HE ARG 13 HE ARG 13 4.657 -0.409 6.731
89 HH11 ARG 13 HH11 ARG 13 5.422 -2.790 9.178
90 HH12 ARG 13 HH12 ARG 13 5.639 -1.607 10.430
91 HH21 ARG 13 HH21 ARG 13 4.941 1.148 8.386
92 HH22 ARG 13 HH22 ARG 13 5.374 0.615 9.983
93 H GLN 14 HN GLN 14 7.933 -0.473 5.062
94 HA GLN 14 HA GLN 14 8.769 0.480 2.397
95 HB2 GLN 14 HB2 GLN 14 10.867 1.213 3.440
96 HB3 GLN 14 HB1 GLN 14 9.479 1.992 4.177
97 HG2 GLN 14 HG2 GLN 14 9.637 0.662 6.116
98 HG3 GLN 14 HG1 GLN 14 10.768 -0.452 5.347
99 HE21 GLN 14 HE21 GLN 14 12.923 0.134 5.128
100 HE22 GLN 14 HE22 GLN 14 13.606 1.468 6.014
101 H ASP 15 HN ASP 15 10.193 -0.700 1.212
102 HA ASP 15 HA ASP 15 11.124 -3.209 2.412
103 HB2 ASP 15 HB2 ASP 15 9.815 -2.979 0.081
104 HB3 ASP 15 HB1 ASP 15 11.468 -2.743 -0.477
105 H VAL 16 HN VAL 16 13.333 -3.895 1.487
106 HA VAL 16 HA VAL 16 15.115 -1.798 2.313
107 HB VAL 16 HB VAL 16 16.883 -3.410 2.141
108 HG11 VAL 16 HG11 VAL 16 14.392 -4.666 3.278
109 HG12 VAL 16 HG12 VAL 16 15.464 -3.537 4.109
110 HG13 VAL 16 HG13 VAL 16 16.047 -5.141 3.660
111 HG21 VAL 16 HG21 VAL 16 16.492 -5.691 1.292
112 HG22 VAL 16 HG22 VAL 16 16.275 -4.467 0.038
113 HG23 VAL 16 HG23 VAL 16 14.867 -5.213 0.797
114 H LEU 17 HN LEU 17 13.655 -2.391 -0.550
115 HA LEU 17 HA LEU 17 15.859 -1.706 -2.279
116 HB2 LEU 17 HB2 LEU 17 12.891 -1.911 -2.805
117 HB3 LEU 17 HB1 LEU 17 14.064 -1.471 -4.030
118 HG LEU 17 HG LEU 17 15.182 -3.750 -3.399
119 HD11 LEU 17 HD11 LEU 17 13.578 -5.454 -2.727
120 HD12 LEU 17 HD12 LEU 17 12.345 -4.212 -2.496
121 HD13 LEU 17 HD13 LEU 17 13.780 -4.231 -1.470
122 HD21 LEU 17 HD21 LEU 17 12.606 -3.596 -4.962
123 HD22 LEU 17 HD22 LEU 17 13.825 -4.860 -5.100
124 HD23 LEU 17 HD23 LEU 17 14.214 -3.209 -5.573
125 H GLY 18 HN GLY 18 13.499 -0.031 -0.378
126 HA2 GLY 18 HA2 GLY 18 14.115 2.217 0.267
127 HA3 GLY 18 HA1 GLY 18 14.730 2.469 -1.365
128 H ARG 19 HN ARG 19 12.249 0.971 -2.313
129 HA ARG 19 HA ARG 19 10.477 3.250 -2.199
130 HB2 ARG 19 HB2 ARG 19 9.026 1.523 -3.653
131 HB3 ARG 19 HB1 ARG 19 10.213 2.593 -4.329
132 HG2 ARG 19 HG2 ARG 19 10.905 -0.195 -3.567
133 HG3 ARG 19 HG1 ARG 19 10.183 0.196 -5.117
134 HD2 ARG 19 HD2 ARG 19 12.156 1.975 -5.173
135 HD3 ARG 19 HD1 ARG 19 12.911 0.802 -4.095
136 HE ARG 19 HE ARG 19 11.758 -0.206 -6.576
137 HH11 ARG 19 HH11 ARG 19 14.654 0.782 -4.852
138 HH12 ARG 19 HH12 ARG 19 15.730 -0.071 -5.917
139 HH21 ARG 19 HH21 ARG 19 13.175 -1.279 -7.999
140 HH22 ARG 19 HH22 ARG 19 14.895 -1.187 -7.748
141 H THR 20 HN THR 20 8.356 3.184 -1.375
142 HA THR 20 HA THR 20 8.080 1.358 0.834
143 HB THR 20 HB THR 20 5.883 2.671 1.113
144 HG1 THR 20 HG1 THR 20 5.794 3.599 -0.947
145 HG21 THR 20 HG21 THR 20 7.039 4.517 2.196
146 HG22 THR 20 HG22 THR 20 8.514 4.117 1.314
147 HG23 THR 20 HG23 THR 20 7.865 2.991 2.508
148 H TYR 21 HN TYR 21 7.387 -0.630 0.388
149 HA TYR 21 HA TYR 21 5.350 -1.029 -1.654
150 HB2 TYR 21 HB2 TYR 21 5.635 -3.364 -1.375
151 HB3 TYR 21 HB1 TYR 21 7.248 -2.680 -1.242
152 HD1 TYR 21 HD2 TYR 21 8.319 -2.499 1.007
153 HD2 TYR 21 HD1 TYR 21 4.671 -4.602 0.402
154 HE1 TYR 21 HE2 TYR 21 8.627 -3.641 3.163
155 HE2 TYR 21 HE1 TYR 21 4.970 -5.750 2.552
156 HH TYR 21 HH TYR 21 7.334 -4.794 4.852
157 H TYR 22 HN TYR 22 3.226 -1.033 -1.257
158 HA TYR 22 HA TYR 22 2.352 -0.986 1.525
159 HB2 TYR 22 HB2 TYR 22 0.569 -0.888 -0.899
160 HB3 TYR 22 HB1 TYR 22 0.193 -0.363 0.731
161 HD1 TYR 22 HD1 TYR 22 1.087 1.742 1.604
162 HD2 TYR 22 HD2 TYR 22 1.775 0.544 -2.419
163 HE1 TYR 22 HE1 TYR 22 1.746 4.037 1.040
164 HE2 TYR 22 HE2 TYR 22 2.449 2.837 -2.996
165 HH TYR 22 HH TYR 22 3.065 5.213 -0.619
166 H VAL 23 HN VAL 23 0.872 -2.539 2.350
167 HA VAL 23 HA VAL 23 0.639 -4.954 0.709
168 HB VAL 23 HB VAL 23 2.342 -5.616 2.157
169 HG11 VAL 23 HG11 VAL 23 2.355 -5.230 4.566
170 HG12 VAL 23 HG12 VAL 23 0.837 -4.342 4.428
171 HG13 VAL 23 HG13 VAL 23 2.297 -3.717 3.660
172 HG21 VAL 23 HG21 VAL 23 0.554 -7.253 2.128
173 HG22 VAL 23 HG22 VAL 23 -0.222 -6.458 3.502
174 HG23 VAL 23 HG23 VAL 23 1.351 -7.241 3.702
175 H ASN 24 HN ASN 24 -1.329 -5.647 0.465
176 HA ASN 24 HA ASN 24 -3.466 -4.705 2.188
177 HB2 ASN 24 HB2 ASN 24 -3.876 -4.856 -0.233
178 HB3 ASN 24 HB1 ASN 24 -3.530 -6.586 -0.186
179 HD21 ASN 24 HD21 ASN 24 -5.806 -4.096 0.611
180 HD22 ASN 24 HD22 ASN 24 -7.133 -5.143 0.982
181 H HIS 25 HN HIS 25 -4.272 -5.820 3.856
182 HA HIS 25 HA HIS 25 -2.857 -8.114 4.758
183 HB2 HIS 25 HB2 HIS 25 -5.246 -6.622 5.798
184 HB3 HIS 25 HB1 HIS 25 -4.678 -8.092 6.577
185 HD1 HIS 25 HD1 HIS 25 -4.636 -5.527 8.178
186 HD2 HIS 25 HD2 HIS 25 -1.427 -6.830 5.882
187 HE1 HIS 25 HE1 HIS 25 -2.600 -4.430 9.166
188 HE2 HIS 25 HE2 HIS 25 -0.715 -5.045 7.611
189 H GLU 26 HN GLU 26 -5.832 -7.775 2.963
190 HA GLU 26 HA GLU 26 -6.933 -10.277 3.823
191 HB2 GLU 26 HB2 GLU 26 -8.324 -8.393 2.983
192 HB3 GLU 26 HB1 GLU 26 -7.644 -8.655 1.379
193 HG2 GLU 26 HG2 GLU 26 -8.567 -10.930 1.384
194 HG3 GLU 26 HG1 GLU 26 -9.299 -10.617 2.956
195 H SER 27 HN SER 27 -5.628 -9.163 0.705
196 HA SER 27 HA SER 27 -5.458 -11.924 -0.195
197 HB2 SER 27 HB2 SER 27 -4.907 -10.846 -2.390
198 HB3 SER 27 HB1 SER 27 -6.471 -10.370 -1.727
199 HG SER 27 HG SER 27 -4.411 -8.818 -2.391
200 H ARG 28 HN ARG 28 -3.507 -9.764 1.383
201 HA ARG 28 HA ARG 28 -1.302 -9.587 1.846
202 HB2 ARG 28 HB2 ARG 28 -1.279 -12.374 0.711
203 HB3 ARG 28 HB1 ARG 28 0.162 -11.607 1.353
204 HG2 ARG 28 HG2 ARG 28 -0.578 -12.844 3.148
205 HG3 ARG 28 HG1 ARG 28 -1.281 -11.261 3.482
206 HD2 ARG 28 HD2 ARG 28 -2.937 -12.973 3.869
207 HD3 ARG 28 HD1 ARG 28 -3.396 -12.017 2.457
208 HE ARG 28 HE ARG 28 -1.938 -14.197 1.528
209 HH11 ARG 28 HH11 ARG 28 -4.964 -13.623 3.204
210 HH12 ARG 28 HH12 ARG 28 -5.721 -15.051 2.569
211 HH21 ARG 28 HH21 ARG 28 -2.956 -16.074 0.702
212 HH22 ARG 28 HH22 ARG 28 -4.578 -16.447 1.195
213 H THR 29 HN THR 29 -2.425 -8.745 -0.747
214 HA THR 29 HA THR 29 -0.346 -9.068 -2.695
215 HB THR 29 HB THR 29 -2.616 -7.063 -2.660
216 HG1 THR 29 HG1 THR 29 -2.450 -9.715 -3.710
217 HG21 THR 29 HG21 THR 29 -0.845 -6.505 -4.253
218 HG22 THR 29 HG22 THR 29 -2.306 -7.030 -5.093
219 HG23 THR 29 HG23 THR 29 -0.932 -8.127 -4.935
220 H THR 30 HN THR 30 1.520 -8.018 -2.675
221 HA THR 30 HA THR 30 1.730 -5.436 -1.310
222 HB THR 30 HB THR 30 4.228 -5.819 -1.722
223 HG1 THR 30 HG1 THR 30 4.600 -8.223 -1.921
224 HG21 THR 30 HG21 THR 30 2.748 -7.807 0.006
225 HG22 THR 30 HG22 THR 30 3.152 -6.151 0.459
226 HG23 THR 30 HG23 THR 30 4.437 -7.327 0.187
227 H GLN 31 HN GLN 31 2.466 -3.597 -2.383
228 HA GLN 31 HA GLN 31 2.898 -3.724 -5.252
229 HB2 GLN 31 HB2 GLN 31 0.446 -3.731 -5.018
230 HB3 GLN 31 HB1 GLN 31 0.531 -2.258 -4.066
231 HG2 GLN 31 HG2 GLN 31 1.336 -1.020 -5.964
232 HG3 GLN 31 HG1 GLN 31 1.412 -2.493 -6.934
233 HE21 GLN 31 HE21 GLN 31 -0.677 -0.138 -5.449
234 HE22 GLN 31 HE22 GLN 31 -2.112 -0.567 -6.327
235 H TRP 32 HN TRP 32 4.072 -2.038 -6.022
236 HA TRP 32 HA TRP 32 5.192 -0.127 -4.192
237 HB2 TRP 32 HB2 TRP 32 5.394 -0.382 -7.202
238 HB3 TRP 32 HB1 TRP 32 6.265 0.818 -6.260
239 HD1 TRP 32 HD1 TRP 32 7.073 -2.143 -7.946
240 HE1 TRP 32 HE1 TRP 32 8.997 -3.453 -6.868
241 HE3 TRP 32 HE3 TRP 32 6.996 0.029 -3.343
242 HZ2 TRP 32 HZ2 TRP 32 10.325 -3.524 -4.362
243 HZ3 TRP 32 HZ3 TRP 32 8.623 -0.702 -1.671
244 HH2 TRP 32 HH2 TRP 32 10.250 -2.449 -2.166
245 H LYS 33 HN LYS 33 2.851 -0.129 -6.771
246 HA LYS 33 HA LYS 33 2.504 2.658 -6.994
247 HB2 LYS 33 HB2 LYS 33 1.885 1.137 -8.787
248 HB3 LYS 33 HB1 LYS 33 0.700 0.355 -7.753
249 HG2 LYS 33 HG2 LYS 33 -0.372 1.823 -9.337
250 HG3 LYS 33 HG1 LYS 33 -0.608 2.410 -7.693
251 HD2 LYS 33 HD2 LYS 33 1.093 4.089 -8.002
252 HD3 LYS 33 HD1 LYS 33 1.501 3.435 -9.590
253 HE2 LYS 33 HE2 LYS 33 0.106 5.427 -9.793
254 HE3 LYS 33 HE1 LYS 33 -0.732 4.000 -10.402
255 HZ1 LYS 33 HZ1 LYS 33 -1.578 4.001 -7.889
256 HZ2 LYS 33 HZ2 LYS 33 -2.381 4.824 -9.129
257 HZ3 LYS 33 HZ3 LYS 33 -1.335 5.668 -8.094
258 H ARG 34 HN ARG 34 1.398 4.038 -5.753
259 HA ARG 34 HA ARG 34 0.020 3.202 -3.433
260 HB2 ARG 34 HB2 ARG 34 -0.747 5.559 -3.272
261 HB3 ARG 34 HB1 ARG 34 0.988 5.402 -3.480
262 HG2 ARG 34 HG2 ARG 34 0.810 6.034 -5.802
263 HG3 ARG 34 HG1 ARG 34 -0.952 6.069 -5.684
264 HD2 ARG 34 HD2 ARG 34 -0.842 7.876 -4.080
265 HD3 ARG 34 HD1 ARG 34 0.918 7.812 -4.077
266 HE ARG 34 HE ARG 34 0.379 8.283 -6.668
267 HH11 ARG 34 HH11 ARG 34 -0.806 9.806 -3.747
268 HH12 ARG 34 HH12 ARG 34 -0.998 11.368 -4.487
269 HH21 ARG 34 HH21 ARG 34 0.101 10.329 -7.644
270 HH22 ARG 34 HH22 ARG 34 -0.487 11.660 -6.694
271 HA PRO 35 HA PRO 35 -3.748 2.009 -5.305
272 HB2 PRO 35 HB2 PRO 35 -5.254 1.690 -3.081
273 HB3 PRO 35 HB1 PRO 35 -3.935 0.593 -3.505
274 HG2 PRO 35 HG2 PRO 35 -4.006 2.777 -1.482
275 HG3 PRO 35 HG1 PRO 35 -3.176 1.213 -1.424
276 HD2 PRO 35 HD2 PRO 35 -1.985 3.648 -2.031
277 HD3 PRO 35 HD1 PRO 35 -1.309 2.062 -2.426
278 H SER 36 HN SER 36 -5.445 3.012 -6.199
279 HA SER 36 HA SER 36 -6.166 5.684 -5.500
280 HB2 SER 36 HB2 SER 36 -7.614 3.696 -7.274
281 HB3 SER 36 HB1 SER 36 -7.839 5.447 -7.265
282 HG SER 36 HG SER 36 -6.479 4.989 -8.934
283 HA PRO 37 HA PRO 37 -9.500 4.857 -2.670
284 HB2 PRO 37 HB2 PRO 37 -11.407 6.626 -3.978
285 HB3 PRO 37 HB1 PRO 37 -10.511 6.873 -2.478
286 HG2 PRO 37 HG2 PRO 37 -10.019 8.304 -4.732
287 HG3 PRO 37 HG1 PRO 37 -8.765 7.926 -3.537
288 HD2 PRO 37 HD2 PRO 37 -9.364 6.568 -6.143
289 HD3 PRO 37 HD1 PRO 37 -7.794 7.047 -5.458
290 H GLU 38 HN GLU 38 -9.655 3.806 -5.738
291 HA GLU 38 HA GLU 38 -12.364 2.756 -5.594
292 HB2 GLU 38 HB2 GLU 38 -11.701 1.709 -7.819
293 HB3 GLU 38 HB1 GLU 38 -11.795 3.465 -7.778
294 HG2 GLU 38 HG2 GLU 38 -9.371 3.607 -7.589
295 HG3 GLU 38 HG1 GLU 38 -9.256 1.851 -7.542
296 H ASP 39 HN ASP 39 -11.837 1.583 -3.630
297 HA ASP 39 HA ASP 39 -10.115 -0.742 -3.952
298 HB2 ASP 39 HB2 ASP 39 -10.411 -1.086 -1.562
299 HB3 ASP 39 HB1 ASP 39 -9.968 0.582 -1.871
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -6.664 21.251 5.296
2 H2 GLY 1 HT2 GLY 1 -5.584 19.950 5.169
3 H3 GLY 1 HT3 GLY 1 -7.193 19.771 4.667
4 HA2 GLY 1 HA1 GLY 1 -6.843 21.446 2.933
5 HA3 GLY 1 HA2 GLY 1 -5.159 21.534 3.425
6 H SER 2 HN SER 2 -7.628 19.541 1.980
7 HA SER 2 HA SER 2 -7.583 17.817 0.516
8 HB2 SER 2 HB2 SER 2 -4.855 18.892 -0.221
9 HB3 SER 2 HB1 SER 2 -5.902 17.895 -1.231
10 HG SER 2 HG SER 2 -7.190 19.566 -1.604
11 HA PRO 3 HA PRO 3 -5.026 14.955 2.999
12 HB2 PRO 3 HB2 PRO 3 -7.004 13.321 3.786
13 HB3 PRO 3 HB1 PRO 3 -6.709 14.866 4.591
14 HG2 PRO 3 HG2 PRO 3 -8.825 14.121 2.631
15 HG3 PRO 3 HG1 PRO 3 -8.911 15.221 4.016
16 HD2 PRO 3 HD2 PRO 3 -8.582 15.974 1.339
17 HD3 PRO 3 HD1 PRO 3 -8.282 17.000 2.754
18 H SER 4 HN SER 4 -4.769 12.545 2.734
19 HA SER 4 HA SER 4 -5.906 11.501 0.258
20 HB2 SER 4 HB2 SER 4 -3.735 12.492 -0.331
21 HB3 SER 4 HB1 SER 4 -2.939 11.468 0.862
22 HG SER 4 HG SER 4 -3.650 9.653 -0.340
23 HA PRO 5 HA PRO 5 -6.101 8.101 3.181
24 HB2 PRO 5 HB2 PRO 5 -8.445 7.196 1.887
25 HB3 PRO 5 HB1 PRO 5 -8.369 8.244 3.306
26 HG2 PRO 5 HG2 PRO 5 -9.340 8.987 0.798
27 HG3 PRO 5 HG1 PRO 5 -8.838 10.105 2.076
28 HD2 PRO 5 HD2 PRO 5 -7.285 9.147 -0.299
29 HD3 PRO 5 HD1 PRO 5 -7.382 10.780 0.408
30 H LEU 6 HN LEU 6 -6.496 5.699 2.876
31 HA LEU 6 HA LEU 6 -5.802 4.739 0.201
32 HB2 LEU 6 HB2 LEU 6 -4.314 2.990 1.295
33 HB3 LEU 6 HB1 LEU 6 -3.673 4.610 1.183
34 HG LEU 6 HG LEU 6 -4.451 4.895 3.617
35 HD11 LEU 6 HD11 LEU 6 -4.609 2.853 4.925
36 HD12 LEU 6 HD12 LEU 6 -4.488 1.888 3.454
37 HD13 LEU 6 HD13 LEU 6 -5.890 2.924 3.715
38 HD21 LEU 6 HD21 LEU 6 -2.235 2.963 2.957
39 HD22 LEU 6 HD22 LEU 6 -2.403 3.879 4.456
40 HD23 LEU 6 HD23 LEU 6 -2.119 4.722 2.934
41 HA PRO 7 HA PRO 7 -8.966 1.732 0.651
42 HB2 PRO 7 HB2 PRO 7 -7.262 -0.528 0.102
43 HB3 PRO 7 HB1 PRO 7 -8.495 0.184 -0.920
44 HG2 PRO 7 HG2 PRO 7 -5.686 0.358 -1.198
45 HG3 PRO 7 HG1 PRO 7 -6.926 1.139 -2.184
46 HD2 PRO 7 HD2 PRO 7 -5.123 2.347 -0.345
47 HD3 PRO 7 HD1 PRO 7 -6.397 3.127 -1.293
48 HA PRO 8 HA PRO 8 -8.411 0.404 4.871
49 HB2 PRO 8 HB2 PRO 8 -10.662 -1.227 4.907
50 HB3 PRO 8 HB1 PRO 8 -10.650 0.503 5.257
51 HG2 PRO 8 HG2 PRO 8 -11.375 -0.921 2.739
52 HG3 PRO 8 HG1 PRO 8 -12.109 0.522 3.467
53 HD2 PRO 8 HD2 PRO 8 -10.445 0.686 1.360
54 HD3 PRO 8 HD1 PRO 8 -10.469 1.927 2.627
55 H GLY 9 HN GLY 9 -7.092 -1.135 5.564
56 HA2 GLY 9 HA2 GLY 9 -6.550 -3.443 5.912
57 HA3 GLY 9 HA1 GLY 9 -7.288 -3.813 4.360
58 H TRP 10 HN TRP 10 -5.792 -1.231 3.404
59 HA TRP 10 HA TRP 10 -3.350 -2.622 2.683
60 HB2 TRP 10 HB2 TRP 10 -4.631 -0.045 1.812
61 HB3 TRP 10 HB1 TRP 10 -2.914 -0.313 1.524
62 HD1 TRP 10 HD1 TRP 10 -6.308 -1.978 0.656
63 HE1 TRP 10 HE1 TRP 10 -6.024 -3.257 -1.568
64 HE3 TRP 10 HE3 TRP 10 -1.305 -1.260 -0.022
65 HZ2 TRP 10 HZ2 TRP 10 -3.928 -3.858 -3.358
66 HZ3 TRP 10 HZ3 TRP 10 -0.230 -2.215 -2.012
67 HH2 TRP 10 HH2 TRP 10 -1.516 -3.496 -3.652
68 H GLU 11 HN GLU 11 -1.579 -2.525 3.812
69 HA GLU 11 HA GLU 11 -1.304 -0.410 5.834
70 HB2 GLU 11 HB2 GLU 11 0.375 -2.036 6.834
71 HB3 GLU 11 HB1 GLU 11 -1.311 -2.533 6.876
72 HG2 GLU 11 HG2 GLU 11 -0.969 -3.985 4.996
73 HG3 GLU 11 HG1 GLU 11 0.691 -3.413 4.810
74 H GLU 12 HN GLU 12 0.460 0.835 5.955
75 HA GLU 12 HA GLU 12 2.143 1.069 3.640
76 HB2 GLU 12 HB2 GLU 12 1.247 3.003 4.987
77 HB3 GLU 12 HB1 GLU 12 2.328 2.521 6.286
78 HG2 GLU 12 HG2 GLU 12 4.244 2.872 4.772
79 HG3 GLU 12 HG1 GLU 12 3.124 3.456 3.539
80 H ARG 13 HN ARG 13 4.003 -0.024 3.374
81 HA ARG 13 HA ARG 13 5.378 -1.027 5.777
82 HB2 ARG 13 HB2 ARG 13 4.679 -2.527 3.260
83 HB3 ARG 13 HB1 ARG 13 5.869 -3.105 4.420
84 HG2 ARG 13 HG2 ARG 13 3.011 -2.512 5.135
85 HG3 ARG 13 HG1 ARG 13 3.573 -4.096 4.609
86 HD2 ARG 13 HD2 ARG 13 3.560 -4.189 6.948
87 HD3 ARG 13 HD1 ARG 13 5.248 -3.970 6.505
88 HE ARG 13 HE ARG 13 4.219 -1.432 6.958
89 HH11 ARG 13 HH11 ARG 13 4.619 -4.387 8.797
90 HH12 ARG 13 HH12 ARG 13 4.857 -3.574 10.308
91 HH21 ARG 13 HH21 ARG 13 4.505 -0.350 8.965
92 HH22 ARG 13 HH22 ARG 13 4.794 -1.270 10.407
93 H GLN 14 HN GLN 14 7.633 -1.239 5.602
94 HA GLN 14 HA GLN 14 8.773 0.276 3.381
95 HB2 GLN 14 HB2 GLN 14 10.869 0.238 4.799
96 HB3 GLN 14 HB1 GLN 14 9.513 1.153 5.444
97 HG2 GLN 14 HG2 GLN 14 9.184 -0.277 7.174
98 HG3 GLN 14 HG1 GLN 14 9.762 -1.680 6.276
99 HE21 GLN 14 HE21 GLN 14 12.208 -0.558 5.416
100 HE22 GLN 14 HE22 GLN 14 13.236 -0.398 6.799
101 H ASP 15 HN ASP 15 9.940 -0.633 1.832
102 HA ASP 15 HA ASP 15 10.536 -3.449 1.933
103 HB2 ASP 15 HB2 ASP 15 10.299 -3.135 -0.279
104 HB3 ASP 15 HB1 ASP 15 10.403 -1.400 -0.085
105 H VAL 16 HN VAL 16 12.667 -4.275 1.634
106 HA VAL 16 HA VAL 16 14.466 -3.377 3.553
107 HB VAL 16 HB VAL 16 14.705 -5.606 3.058
108 HG11 VAL 16 HG11 VAL 16 14.902 -6.552 0.796
109 HG12 VAL 16 HG12 VAL 16 14.770 -4.928 0.118
110 HG13 VAL 16 HG13 VAL 16 13.410 -5.632 0.991
111 HG21 VAL 16 HG21 VAL 16 16.827 -4.228 1.446
112 HG22 VAL 16 HG22 VAL 16 16.909 -5.909 1.977
113 HG23 VAL 16 HG23 VAL 16 16.891 -4.605 3.168
114 H LEU 17 HN LEU 17 14.332 -2.779 0.068
115 HA LEU 17 HA LEU 17 16.903 -1.543 -0.062
116 HB2 LEU 17 HB2 LEU 17 14.574 -1.394 -1.982
117 HB3 LEU 17 HB1 LEU 17 16.197 -0.825 -2.318
118 HG LEU 17 HG LEU 17 15.443 -3.701 -1.777
119 HD11 LEU 17 HD11 LEU 17 16.159 -2.293 -4.346
120 HD12 LEU 17 HD12 LEU 17 14.577 -2.937 -3.910
121 HD13 LEU 17 HD13 LEU 17 15.936 -4.032 -4.158
122 HD21 LEU 17 HD21 LEU 17 17.735 -4.196 -2.475
123 HD22 LEU 17 HD22 LEU 17 17.712 -3.169 -1.043
124 HD23 LEU 17 HD23 LEU 17 18.070 -2.472 -2.624
125 H GLY 18 HN GLY 18 13.615 -0.348 0.572
126 HA2 GLY 18 HA2 GLY 18 13.808 1.592 2.171
127 HA3 GLY 18 HA1 GLY 18 14.877 2.311 0.968
128 H ARG 19 HN ARG 19 12.639 0.594 -0.674
129 HA ARG 19 HA ARG 19 11.071 2.926 -1.340
130 HB2 ARG 19 HB2 ARG 19 10.893 0.046 -2.241
131 HB3 ARG 19 HB1 ARG 19 9.806 1.307 -2.792
132 HG2 ARG 19 HG2 ARG 19 11.399 1.040 -4.482
133 HG3 ARG 19 HG1 ARG 19 11.841 2.527 -3.641
134 HD2 ARG 19 HD2 ARG 19 13.618 1.465 -2.500
135 HD3 ARG 19 HD1 ARG 19 13.043 -0.132 -2.967
136 HE ARG 19 HE ARG 19 13.609 0.675 -5.337
137 HH11 ARG 19 HH11 ARG 19 15.351 1.646 -2.461
138 HH12 ARG 19 HH12 ARG 19 16.861 1.844 -3.286
139 HH21 ARG 19 HH21 ARG 19 15.609 0.942 -6.426
140 HH22 ARG 19 HH22 ARG 19 17.015 1.440 -5.529
141 H THR 20 HN THR 20 9.370 3.531 -0.066
142 HA THR 20 HA THR 20 8.212 1.637 1.744
143 HB THR 20 HB THR 20 7.001 4.308 0.983
144 HG1 THR 20 HG1 THR 20 8.574 5.279 2.037
145 HG21 THR 20 HG21 THR 20 6.173 4.246 3.303
146 HG22 THR 20 HG22 THR 20 6.936 2.671 3.525
147 HG23 THR 20 HG23 THR 20 5.614 2.855 2.373
148 H TYR 21 HN TYR 21 7.246 -0.023 0.740
149 HA TYR 21 HA TYR 21 5.270 0.544 -1.360
150 HB2 TYR 21 HB2 TYR 21 5.251 -1.811 -1.825
151 HB3 TYR 21 HB1 TYR 21 6.933 -1.331 -1.635
152 HD1 TYR 21 HD1 TYR 21 8.145 -1.922 0.465
153 HD2 TYR 21 HD2 TYR 21 4.258 -3.430 -0.389
154 HE1 TYR 21 HE1 TYR 21 8.464 -3.685 2.145
155 HE2 TYR 21 HE2 TYR 21 4.569 -5.193 1.294
156 HH TYR 21 HH TYR 21 6.364 -6.374 2.420
157 H TYR 22 HN TYR 22 3.293 -1.119 -1.148
158 HA TYR 22 HA TYR 22 2.332 -1.067 1.638
159 HB2 TYR 22 HB2 TYR 22 0.494 -0.676 -0.699
160 HB3 TYR 22 HB1 TYR 22 0.185 -0.353 0.990
161 HD1 TYR 22 HD2 TYR 22 1.170 1.648 2.077
162 HD2 TYR 22 HD1 TYR 22 1.505 0.997 -2.113
163 HE1 TYR 22 HE2 TYR 22 1.740 4.018 1.762
164 HE2 TYR 22 HE1 TYR 22 2.071 3.368 -2.441
165 HH TYR 22 HH TYR 22 2.863 5.457 0.142
166 H VAL 23 HN VAL 23 0.816 -2.735 2.144
167 HA VAL 23 HA VAL 23 0.431 -4.790 0.100
168 HB VAL 23 HB VAL 23 2.365 -5.621 1.270
169 HG11 VAL 23 HG11 VAL 23 0.818 -5.287 3.824
170 HG12 VAL 23 HG12 VAL 23 2.176 -4.288 3.297
171 HG13 VAL 23 HG13 VAL 23 2.425 -5.995 3.663
172 HG21 VAL 23 HG21 VAL 23 1.514 -7.726 2.198
173 HG22 VAL 23 HG22 VAL 23 0.704 -7.293 0.693
174 HG23 VAL 23 HG23 VAL 23 -0.110 -7.038 2.238
175 H ASN 24 HN ASN 24 -1.518 -5.829 0.248
176 HA ASN 24 HA ASN 24 -3.487 -4.688 2.019
177 HB2 ASN 24 HB2 ASN 24 -3.999 -5.315 -0.332
178 HB3 ASN 24 HB1 ASN 24 -3.750 -7.006 0.087
179 HD21 ASN 24 HD21 ASN 24 -5.862 -4.265 0.371
180 HD22 ASN 24 HD22 ASN 24 -7.221 -5.132 1.006
181 H HIS 25 HN HIS 25 -4.659 -5.822 3.637
182 HA HIS 25 HA HIS 25 -2.969 -7.656 5.085
183 HB2 HIS 25 HB2 HIS 25 -4.304 -5.783 6.124
184 HB3 HIS 25 HB1 HIS 25 -5.747 -6.740 5.825
185 HD1 HIS 25 HD1 HIS 25 -6.464 -8.087 7.756
186 HD2 HIS 25 HD2 HIS 25 -2.374 -7.338 7.844
187 HE1 HIS 25 HE1 HIS 25 -5.627 -9.133 9.880
188 HE2 HIS 25 HE2 HIS 25 -3.201 -8.483 10.004
189 H GLU 26 HN GLU 26 -6.098 -7.842 3.456
190 HA GLU 26 HA GLU 26 -6.441 -10.618 4.252
191 HB2 GLU 26 HB2 GLU 26 -8.417 -9.249 4.222
192 HB3 GLU 26 HB1 GLU 26 -8.112 -8.761 2.560
193 HG2 GLU 26 HG2 GLU 26 -8.534 -10.997 1.780
194 HG3 GLU 26 HG1 GLU 26 -8.704 -11.569 3.438
195 H SER 27 HN SER 27 -6.321 -8.892 1.126
196 HA SER 27 HA SER 27 -5.951 -11.338 -0.337
197 HB2 SER 27 HB2 SER 27 -7.144 -9.394 -1.292
198 HB3 SER 27 HB1 SER 27 -5.646 -8.463 -1.251
199 HG SER 27 HG SER 27 -5.244 -10.808 -2.509
200 H ARG 28 HN ARG 28 -3.921 -8.977 1.131
201 HA ARG 28 HA ARG 28 -1.709 -8.922 1.565
202 HB2 ARG 28 HB2 ARG 28 -1.961 -11.822 0.787
203 HB3 ARG 28 HB1 ARG 28 -0.520 -11.134 1.522
204 HG2 ARG 28 HG2 ARG 28 -1.672 -10.648 3.533
205 HG3 ARG 28 HG1 ARG 28 -3.238 -10.981 2.794
206 HD2 ARG 28 HD2 ARG 28 -2.508 -12.800 4.261
207 HD3 ARG 28 HD1 ARG 28 -2.668 -13.327 2.585
208 HE ARG 28 HE ARG 28 -0.007 -12.509 3.163
209 HH11 ARG 28 HH11 ARG 28 -2.268 -15.144 3.600
210 HH12 ARG 28 HH12 ARG 28 -1.024 -16.354 3.754
211 HH21 ARG 28 HH21 ARG 28 1.618 -14.061 3.374
212 HH22 ARG 28 HH22 ARG 28 1.202 -15.731 3.634
213 H THR 29 HN THR 29 -2.637 -8.301 -1.153
214 HA THR 29 HA THR 29 -0.376 -9.004 -2.829
215 HB THR 29 HB THR 29 -2.607 -8.807 -3.868
216 HG1 THR 29 HG1 THR 29 -1.945 -7.410 -5.591
217 HG21 THR 29 HG21 THR 29 -3.649 -6.603 -4.154
218 HG22 THR 29 HG22 THR 29 -2.430 -5.895 -3.095
219 HG23 THR 29 HG23 THR 29 -3.573 -7.075 -2.454
220 H THR 30 HN THR 30 1.120 -7.479 -3.646
221 HA THR 30 HA THR 30 1.497 -5.143 -1.889
222 HB THR 30 HB THR 30 3.944 -5.371 -2.578
223 HG1 THR 30 HG1 THR 30 3.603 -8.081 -2.988
224 HG21 THR 30 HG21 THR 30 2.662 -7.540 -0.920
225 HG22 THR 30 HG22 THR 30 3.205 -5.959 -0.360
226 HG23 THR 30 HG23 THR 30 4.382 -7.145 -0.918
227 H GLN 31 HN GLN 31 2.087 -3.175 -2.805
228 HA GLN 31 HA GLN 31 2.452 -3.029 -5.690
229 HB2 GLN 31 HB2 GLN 31 -0.009 -2.867 -5.282
230 HB3 GLN 31 HB1 GLN 31 0.281 -1.430 -4.313
231 HG2 GLN 31 HG2 GLN 31 1.077 -0.225 -6.211
232 HG3 GLN 31 HG1 GLN 31 1.063 -1.679 -7.206
233 HE21 GLN 31 HE21 GLN 31 -0.850 0.806 -5.724
234 HE22 GLN 31 HE22 GLN 31 -2.323 0.475 -6.578
235 H TRP 32 HN TRP 32 3.723 -1.366 -6.323
236 HA TRP 32 HA TRP 32 5.056 0.139 -4.231
237 HB2 TRP 32 HB2 TRP 32 6.515 -0.825 -5.821
238 HB3 TRP 32 HB1 TRP 32 5.534 -0.288 -7.173
239 HD1 TRP 32 HD1 TRP 32 6.874 1.408 -8.513
240 HE1 TRP 32 HE1 TRP 32 8.395 3.413 -8.002
241 HE3 TRP 32 HE3 TRP 32 6.913 1.125 -3.402
242 HZ2 TRP 32 HZ2 TRP 32 9.467 4.702 -5.753
243 HZ3 TRP 32 HZ3 TRP 32 8.231 2.784 -2.154
244 HH2 TRP 32 HH2 TRP 32 9.478 4.540 -3.308
245 H LYS 33 HN LYS 33 2.824 0.654 -6.842
246 HA LYS 33 HA LYS 33 2.918 3.539 -6.620
247 HB2 LYS 33 HB2 LYS 33 0.897 1.844 -8.109
248 HB3 LYS 33 HB1 LYS 33 1.273 3.544 -8.379
249 HG2 LYS 33 HG2 LYS 33 3.486 2.958 -9.181
250 HG3 LYS 33 HG1 LYS 33 3.178 1.254 -8.844
251 HD2 LYS 33 HD2 LYS 33 2.664 1.247 -11.056
252 HD3 LYS 33 HD1 LYS 33 1.092 1.748 -10.439
253 HE2 LYS 33 HE2 LYS 33 3.237 3.674 -11.304
254 HE3 LYS 33 HE1 LYS 33 1.976 3.083 -12.383
255 HZ1 LYS 33 HZ1 LYS 33 1.550 4.630 -9.887
256 HZ2 LYS 33 HZ2 LYS 33 0.322 4.039 -10.891
257 HZ3 LYS 33 HZ3 LYS 33 1.389 5.226 -11.461
258 H ARG 34 HN ARG 34 1.292 4.815 -5.707
259 HA ARG 34 HA ARG 34 0.098 3.860 -3.380
260 HB2 ARG 34 HB2 ARG 34 -0.500 6.324 -5.012
261 HB3 ARG 34 HB1 ARG 34 -1.252 5.996 -3.458
262 HG2 ARG 34 HG2 ARG 34 0.967 5.955 -2.405
263 HG3 ARG 34 HG1 ARG 34 1.695 6.345 -3.964
264 HD2 ARG 34 HD2 ARG 34 0.532 8.453 -4.032
265 HD3 ARG 34 HD1 ARG 34 -0.352 8.053 -2.561
266 HE ARG 34 HE ARG 34 1.902 8.064 -1.449
267 HH11 ARG 34 HH11 ARG 34 1.285 9.931 -4.348
268 HH12 ARG 34 HH12 ARG 34 2.490 11.130 -3.969
269 HH21 ARG 34 HH21 ARG 34 3.482 9.646 -0.966
270 HH22 ARG 34 HH22 ARG 34 3.726 10.967 -2.066
271 HA PRO 35 HA PRO 35 -3.298 1.651 -5.117
272 HB2 PRO 35 HB2 PRO 35 -4.458 0.899 -2.788
273 HB3 PRO 35 HB1 PRO 35 -2.980 0.152 -3.401
274 HG2 PRO 35 HG2 PRO 35 -3.330 2.210 -1.270
275 HG3 PRO 35 HG1 PRO 35 -2.188 0.858 -1.351
276 HD2 PRO 35 HD2 PRO 35 -1.542 3.467 -1.912
277 HD3 PRO 35 HD1 PRO 35 -0.665 2.064 -2.545
278 H SER 36 HN SER 36 -5.246 2.248 -5.826
279 HA SER 36 HA SER 36 -6.644 4.461 -4.596
280 HB2 SER 36 HB2 SER 36 -7.418 2.671 -6.921
281 HB3 SER 36 HB1 SER 36 -8.276 4.135 -6.438
282 HG SER 36 HG SER 36 -5.617 4.594 -6.769
283 HA PRO 37 HA PRO 37 -9.150 2.126 -1.889
284 HB2 PRO 37 HB2 PRO 37 -11.524 3.734 -2.462
285 HB3 PRO 37 HB1 PRO 37 -10.510 3.712 -1.016
286 HG2 PRO 37 HG2 PRO 37 -10.551 5.809 -2.711
287 HG3 PRO 37 HG1 PRO 37 -9.086 5.337 -1.831
288 HD2 PRO 37 HD2 PRO 37 -9.861 4.736 -4.666
289 HD3 PRO 37 HD1 PRO 37 -8.297 5.291 -4.021
290 H GLU 38 HN GLU 38 -9.548 1.753 -5.044
291 HA GLU 38 HA GLU 38 -12.015 0.262 -5.072
292 HB2 GLU 38 HB2 GLU 38 -11.100 -0.485 -7.343
293 HB3 GLU 38 HB1 GLU 38 -11.447 1.227 -7.154
294 HG2 GLU 38 HG2 GLU 38 -9.123 1.729 -6.848
295 HG3 GLU 38 HG1 GLU 38 -8.712 0.015 -6.843
296 H ASP 39 HN ASP 39 -11.427 -0.998 -3.198
297 HA ASP 39 HA ASP 39 -9.981 -3.439 -3.934
298 HB2 ASP 39 HB2 ASP 39 -8.442 -1.860 -2.692
299 HB3 ASP 39 HB1 ASP 39 -9.519 -2.004 -1.309
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -9.306 16.693 2.306
2 H2 GLY 1 HT2 GLY 1 -9.421 15.191 1.536
3 H3 GLY 1 HT3 GLY 1 -10.445 16.465 1.070
4 HA2 GLY 1 HA1 GLY 1 -8.640 16.117 -0.528
5 HA3 GLY 1 HA2 GLY 1 -8.614 17.717 0.206
6 H SER 2 HN SER 2 -7.470 14.487 1.235
7 HA SER 2 HA SER 2 -4.777 15.619 1.502
8 HB2 SER 2 HB2 SER 2 -5.956 15.757 3.706
9 HB3 SER 2 HB1 SER 2 -6.157 14.009 3.664
10 HG SER 2 HG SER 2 -3.586 15.167 3.422
11 HA PRO 3 HA PRO 3 -3.971 11.649 -0.460
12 HB2 PRO 3 HB2 PRO 3 -1.168 12.454 -0.386
13 HB3 PRO 3 HB1 PRO 3 -2.217 12.212 -1.784
14 HG2 PRO 3 HG2 PRO 3 -1.327 14.663 -1.014
15 HG3 PRO 3 HG1 PRO 3 -2.882 14.412 -1.831
16 HD2 PRO 3 HD2 PRO 3 -2.316 14.839 1.078
17 HD3 PRO 3 HD1 PRO 3 -3.628 15.495 0.079
18 H SER 4 HN SER 4 -4.539 10.867 1.770
19 HA SER 4 HA SER 4 -2.151 9.787 3.081
20 HB2 SER 4 HB2 SER 4 -2.973 11.713 4.393
21 HB3 SER 4 HB1 SER 4 -4.544 10.924 4.542
22 HG SER 4 HG SER 4 -2.052 10.053 5.581
23 HA PRO 5 HA PRO 5 -5.918 6.861 4.136
24 HB2 PRO 5 HB2 PRO 5 -7.834 7.600 2.001
25 HB3 PRO 5 HB1 PRO 5 -8.132 7.212 3.700
26 HG2 PRO 5 HG2 PRO 5 -8.309 9.719 2.831
27 HG3 PRO 5 HG1 PRO 5 -7.605 9.352 4.417
28 HD2 PRO 5 HD2 PRO 5 -6.229 10.021 1.842
29 HD3 PRO 5 HD1 PRO 5 -5.868 10.573 3.490
30 H LEU 6 HN LEU 6 -6.289 4.830 3.265
31 HA LEU 6 HA LEU 6 -5.853 4.380 0.429
32 HB2 LEU 6 HB2 LEU 6 -4.335 2.387 1.104
33 HB3 LEU 6 HB1 LEU 6 -3.648 3.993 1.010
34 HG LEU 6 HG LEU 6 -3.901 4.151 3.511
35 HD11 LEU 6 HD11 LEU 6 -5.587 2.435 3.844
36 HD12 LEU 6 HD12 LEU 6 -4.123 2.058 4.759
37 HD13 LEU 6 HD13 LEU 6 -4.465 1.204 3.252
38 HD21 LEU 6 HD21 LEU 6 -2.160 1.936 2.444
39 HD22 LEU 6 HD22 LEU 6 -1.922 2.806 3.960
40 HD23 LEU 6 HD23 LEU 6 -1.770 3.651 2.420
41 HA PRO 7 HA PRO 7 -9.000 1.279 0.570
42 HB2 PRO 7 HB2 PRO 7 -7.349 -0.959 -0.120
43 HB3 PRO 7 HB1 PRO 7 -8.493 -0.104 -1.132
44 HG2 PRO 7 HG2 PRO 7 -5.597 0.080 -1.042
45 HG3 PRO 7 HG1 PRO 7 -6.715 0.685 -2.272
46 HD2 PRO 7 HD2 PRO 7 -5.281 2.266 -0.544
47 HD3 PRO 7 HD1 PRO 7 -6.790 2.758 -1.339
48 HA PRO 8 HA PRO 8 -8.725 -0.631 4.582
49 HB2 PRO 8 HB2 PRO 8 -10.947 -2.313 3.589
50 HB3 PRO 8 HB1 PRO 8 -10.889 -1.244 4.996
51 HG2 PRO 8 HG2 PRO 8 -12.276 -0.562 2.821
52 HG3 PRO 8 HG1 PRO 8 -11.365 0.642 3.750
53 HD2 PRO 8 HD2 PRO 8 -10.644 -0.684 1.161
54 HD3 PRO 8 HD1 PRO 8 -10.457 1.015 1.652
55 H GLY 9 HN GLY 9 -7.383 -2.178 5.195
56 HA2 GLY 9 HA2 GLY 9 -6.747 -4.480 5.347
57 HA3 GLY 9 HA1 GLY 9 -7.361 -4.722 3.715
58 H TRP 10 HN TRP 10 -5.916 -1.955 3.301
59 HA TRP 10 HA TRP 10 -3.326 -3.122 2.591
60 HB2 TRP 10 HB2 TRP 10 -4.691 -0.528 1.864
61 HB3 TRP 10 HB1 TRP 10 -2.994 -0.826 1.511
62 HD1 TRP 10 HD1 TRP 10 -6.452 -2.371 0.658
63 HE1 TRP 10 HE1 TRP 10 -6.279 -3.406 -1.690
64 HE3 TRP 10 HE3 TRP 10 -1.499 -1.526 -0.214
65 HZ2 TRP 10 HZ2 TRP 10 -4.276 -3.791 -3.664
66 HZ3 TRP 10 HZ3 TRP 10 -0.537 -2.227 -2.363
67 HH2 TRP 10 HH2 TRP 10 -1.898 -3.346 -4.049
68 H GLU 11 HN GLU 11 -1.354 -2.102 3.235
69 HA GLU 11 HA GLU 11 -1.566 -0.032 5.262
70 HB2 GLU 11 HB2 GLU 11 -0.202 -1.178 6.862
71 HB3 GLU 11 HB1 GLU 11 -1.556 -2.207 6.442
72 HG2 GLU 11 HG2 GLU 11 -0.042 -3.385 4.834
73 HG3 GLU 11 HG1 GLU 11 1.289 -2.477 5.555
74 H GLU 12 HN GLU 12 0.243 1.230 5.505
75 HA GLU 12 HA GLU 12 2.052 1.244 3.253
76 HB2 GLU 12 HB2 GLU 12 1.009 3.327 4.152
77 HB3 GLU 12 HB1 GLU 12 1.910 3.099 5.643
78 HG2 GLU 12 HG2 GLU 12 3.978 3.435 4.546
79 HG3 GLU 12 HG1 GLU 12 3.218 3.395 2.958
80 H ARG 13 HN ARG 13 4.074 0.520 3.273
81 HA ARG 13 HA ARG 13 5.231 -0.425 5.807
82 HB2 ARG 13 HB2 ARG 13 4.919 -1.996 3.241
83 HB3 ARG 13 HB1 ARG 13 5.874 -2.524 4.622
84 HG2 ARG 13 HG2 ARG 13 2.952 -1.909 4.862
85 HG3 ARG 13 HG1 ARG 13 3.536 -3.486 4.339
86 HD2 ARG 13 HD2 ARG 13 3.155 -3.639 6.665
87 HD3 ARG 13 HD1 ARG 13 4.901 -3.569 6.443
88 HE ARG 13 HE ARG 13 3.822 -0.973 6.915
89 HH11 ARG 13 HH11 ARG 13 4.550 -3.993 8.526
90 HH12 ARG 13 HH12 ARG 13 4.892 -3.252 10.063
91 HH21 ARG 13 HH21 ARG 13 4.218 0.022 8.969
92 HH22 ARG 13 HH22 ARG 13 4.676 -0.977 10.318
93 H GLN 14 HN GLN 14 7.557 -0.832 5.658
94 HA GLN 14 HA GLN 14 8.803 0.408 3.299
95 HB2 GLN 14 HB2 GLN 14 10.637 1.195 4.742
96 HB3 GLN 14 HB1 GLN 14 9.092 1.904 5.180
97 HG2 GLN 14 HG2 GLN 14 9.458 1.292 7.263
98 HG3 GLN 14 HG1 GLN 14 9.342 -0.391 6.755
99 HE21 GLN 14 HE21 GLN 14 11.770 -0.362 5.171
100 HE22 GLN 14 HE22 GLN 14 13.086 -0.303 6.291
101 H ASP 15 HN ASP 15 10.407 -0.710 2.339
102 HA ASP 15 HA ASP 15 11.031 -3.326 3.508
103 HB2 ASP 15 HB2 ASP 15 11.669 -4.015 1.227
104 HB3 ASP 15 HB1 ASP 15 9.996 -3.483 1.318
105 H VAL 16 HN VAL 16 13.269 -4.084 2.394
106 HA VAL 16 HA VAL 16 15.255 -2.438 3.607
107 HB VAL 16 HB VAL 16 15.348 -4.925 3.549
108 HG11 VAL 16 HG11 VAL 16 14.614 -5.237 1.236
109 HG12 VAL 16 HG12 VAL 16 16.137 -6.061 1.564
110 HG13 VAL 16 HG13 VAL 16 16.134 -4.543 0.669
111 HG21 VAL 16 HG21 VAL 16 17.742 -3.529 2.359
112 HG22 VAL 16 HG22 VAL 16 17.757 -5.098 3.156
113 HG23 VAL 16 HG23 VAL 16 17.356 -3.651 4.077
114 H LEU 17 HN LEU 17 13.769 -2.405 0.573
115 HA LEU 17 HA LEU 17 16.022 -1.433 -0.929
116 HB2 LEU 17 HB2 LEU 17 13.059 -1.384 -1.519
117 HB3 LEU 17 HB1 LEU 17 14.299 -0.871 -2.645
118 HG LEU 17 HG LEU 17 14.082 -3.672 -1.540
119 HD11 LEU 17 HD11 LEU 17 13.200 -2.577 -4.213
120 HD12 LEU 17 HD12 LEU 17 12.136 -3.130 -2.919
121 HD13 LEU 17 HD13 LEU 17 13.199 -4.276 -3.734
122 HD21 LEU 17 HD21 LEU 17 15.660 -4.226 -3.277
123 HD22 LEU 17 HD22 LEU 17 16.328 -2.952 -2.261
124 HD23 LEU 17 HD23 LEU 17 15.667 -2.560 -3.847
125 H GLY 18 HN GLY 18 13.299 -0.037 0.854
126 HA2 GLY 18 HA2 GLY 18 13.674 2.056 2.016
127 HA3 GLY 18 HA1 GLY 18 14.749 2.543 0.708
128 H ARG 19 HN ARG 19 12.156 0.918 -0.523
129 HA ARG 19 HA ARG 19 10.764 3.412 -1.179
130 HB2 ARG 19 HB2 ARG 19 9.754 2.198 -3.037
131 HB3 ARG 19 HB1 ARG 19 11.499 2.034 -3.102
132 HG2 ARG 19 HG2 ARG 19 11.321 -0.196 -2.108
133 HG3 ARG 19 HG1 ARG 19 9.570 -0.007 -2.055
134 HD2 ARG 19 HD2 ARG 19 10.248 -1.355 -3.952
135 HD3 ARG 19 HD1 ARG 19 9.489 0.142 -4.472
136 HE ARG 19 HE ARG 19 12.308 0.425 -4.361
137 HH11 ARG 19 HH11 ARG 19 9.765 -1.046 -6.228
138 HH12 ARG 19 HH12 ARG 19 10.603 -0.912 -7.741
139 HH21 ARG 19 HH21 ARG 19 13.466 0.583 -6.347
140 HH22 ARG 19 HH22 ARG 19 12.720 -0.023 -7.808
141 H THR 20 HN THR 20 8.817 3.806 -0.284
142 HA THR 20 HA THR 20 7.872 1.990 1.701
143 HB THR 20 HB THR 20 6.155 4.222 0.708
144 HG1 THR 20 HG1 THR 20 8.662 4.565 2.046
145 HG21 THR 20 HG21 THR 20 5.508 2.935 2.697
146 HG22 THR 20 HG22 THR 20 5.837 4.616 3.100
147 HG23 THR 20 HG23 THR 20 7.025 3.374 3.475
148 H TYR 21 HN TYR 21 7.079 0.108 0.932
149 HA TYR 21 HA TYR 21 5.174 0.204 -1.297
150 HB2 TYR 21 HB2 TYR 21 5.513 -2.129 -1.590
151 HB3 TYR 21 HB1 TYR 21 7.105 -1.449 -1.277
152 HD1 TYR 21 HD1 TYR 21 8.194 -1.850 0.939
153 HD2 TYR 21 HD2 TYR 21 4.525 -3.726 -0.123
154 HE1 TYR 21 HE1 TYR 21 8.521 -3.499 2.734
155 HE2 TYR 21 HE2 TYR 21 4.838 -5.370 1.675
156 HH TYR 21 HH TYR 21 7.301 -5.025 4.069
157 H TYR 22 HN TYR 22 3.269 -1.330 -1.098
158 HA TYR 22 HA TYR 22 2.143 -1.170 1.638
159 HB2 TYR 22 HB2 TYR 22 0.472 -1.233 -0.853
160 HB3 TYR 22 HB1 TYR 22 0.034 -0.671 0.750
161 HD1 TYR 22 HD1 TYR 22 0.688 1.567 1.511
162 HD2 TYR 22 HD2 TYR 22 1.660 0.206 -2.398
163 HE1 TYR 22 HE1 TYR 22 1.201 3.877 0.843
164 HE2 TYR 22 HE2 TYR 22 2.185 2.509 -3.082
165 HH TYR 22 HH TYR 22 2.585 5.031 -0.855
166 H VAL 23 HN VAL 23 0.942 -2.926 2.347
167 HA VAL 23 HA VAL 23 0.795 -5.204 0.508
168 HB VAL 23 HB VAL 23 2.638 -5.688 2.017
169 HG11 VAL 23 HG11 VAL 23 0.662 -5.424 4.265
170 HG12 VAL 23 HG12 VAL 23 1.962 -4.291 3.900
171 HG13 VAL 23 HG13 VAL 23 2.342 -5.938 4.401
172 HG21 VAL 23 HG21 VAL 23 0.192 -7.343 2.654
173 HG22 VAL 23 HG22 VAL 23 1.868 -7.847 2.881
174 HG23 VAL 23 HG23 VAL 23 1.252 -7.544 1.257
175 H ASN 24 HN ASN 24 -1.089 -6.131 0.365
176 HA ASN 24 HA ASN 24 -3.280 -5.261 2.064
177 HB2 ASN 24 HB2 ASN 24 -3.549 -5.490 -0.422
178 HB3 ASN 24 HB1 ASN 24 -3.277 -7.219 -0.248
179 HD21 ASN 24 HD21 ASN 24 -5.489 -4.605 0.281
180 HD22 ASN 24 HD22 ASN 24 -6.868 -5.581 0.653
181 H HIS 25 HN HIS 25 -3.855 -6.408 3.847
182 HA HIS 25 HA HIS 25 -2.397 -8.835 4.398
183 HB2 HIS 25 HB2 HIS 25 -4.133 -7.013 5.970
184 HB3 HIS 25 HB1 HIS 25 -3.972 -8.669 6.543
185 HD1 HIS 25 HD1 HIS 25 -2.403 -8.462 8.476
186 HD2 HIS 25 HD2 HIS 25 -1.062 -6.406 5.120
187 HE1 HIS 25 HE1 HIS 25 -0.085 -7.670 9.045
188 HE2 HIS 25 HE2 HIS 25 0.563 -6.187 7.115
189 H GLU 26 HN GLU 26 -5.332 -8.232 2.876
190 HA GLU 26 HA GLU 26 -6.570 -10.695 3.796
191 HB2 GLU 26 HB2 GLU 26 -7.746 -8.446 3.157
192 HB3 GLU 26 HB1 GLU 26 -7.613 -9.064 1.515
193 HG2 GLU 26 HG2 GLU 26 -9.771 -9.615 2.456
194 HG3 GLU 26 HG1 GLU 26 -8.823 -11.080 2.178
195 H SER 27 HN SER 27 -5.637 -9.350 0.635
196 HA SER 27 HA SER 27 -5.601 -11.968 -0.575
197 HB2 SER 27 HB2 SER 27 -6.300 -9.942 -1.833
198 HB3 SER 27 HB1 SER 27 -4.665 -9.303 -1.681
199 HG SER 27 HG SER 27 -4.075 -10.504 -3.288
200 H ARG 28 HN ARG 28 -3.468 -10.054 1.203
201 HA ARG 28 HA ARG 28 -1.295 -10.223 1.808
202 HB2 ARG 28 HB2 ARG 28 -1.484 -13.023 0.664
203 HB3 ARG 28 HB1 ARG 28 -0.288 -12.443 1.821
204 HG2 ARG 28 HG2 ARG 28 -2.018 -12.058 3.472
205 HG3 ARG 28 HG1 ARG 28 -3.256 -12.545 2.319
206 HD2 ARG 28 HD2 ARG 28 -2.191 -14.797 2.236
207 HD3 ARG 28 HD1 ARG 28 -1.107 -14.273 3.529
208 HE ARG 28 HE ARG 28 -3.795 -13.816 4.273
209 HH11 ARG 28 HH11 ARG 28 -1.439 -16.377 3.942
210 HH12 ARG 28 HH12 ARG 28 -2.269 -17.441 5.041
211 HH21 ARG 28 HH21 ARG 28 -4.858 -15.194 5.745
212 HH22 ARG 28 HH22 ARG 28 -4.208 -16.774 6.061
213 H THR 29 HN THR 29 -1.946 -9.068 -0.633
214 HA THR 29 HA THR 29 0.264 -9.781 -2.424
215 HB THR 29 HB THR 29 -2.134 -8.040 -3.018
216 HG1 THR 29 HG1 THR 29 -1.764 -10.815 -3.051
217 HG21 THR 29 HG21 THR 29 -0.183 -9.422 -4.869
218 HG22 THR 29 HG22 THR 29 -0.167 -7.702 -4.479
219 HG23 THR 29 HG23 THR 29 -1.535 -8.393 -5.349
220 H THR 30 HN THR 30 1.840 -8.293 -2.891
221 HA THR 30 HA THR 30 1.718 -5.766 -1.395
222 HB THR 30 HB THR 30 4.234 -5.762 -1.836
223 HG1 THR 30 HG1 THR 30 4.336 -7.356 -3.439
224 HG21 THR 30 HG21 THR 30 3.251 -6.299 0.341
225 HG22 THR 30 HG22 THR 30 4.691 -7.265 0.024
226 HG23 THR 30 HG23 THR 30 3.093 -7.986 -0.150
227 H GLN 31 HN GLN 31 2.264 -3.803 -2.382
228 HA GLN 31 HA GLN 31 2.856 -3.806 -5.232
229 HB2 GLN 31 HB2 GLN 31 0.315 -3.749 -4.828
230 HB3 GLN 31 HB1 GLN 31 0.574 -2.124 -4.216
231 HG2 GLN 31 HG2 GLN 31 1.389 -1.380 -6.326
232 HG3 GLN 31 HG1 GLN 31 1.389 -3.024 -6.965
233 HE21 GLN 31 HE21 GLN 31 -0.549 -0.285 -6.076
234 HE22 GLN 31 HE22 GLN 31 -2.010 -0.815 -6.844
235 H TRP 32 HN TRP 32 4.093 -2.129 -5.841
236 HA TRP 32 HA TRP 32 4.990 -0.279 -3.772
237 HB2 TRP 32 HB2 TRP 32 6.808 -1.281 -4.854
238 HB3 TRP 32 HB1 TRP 32 6.050 -1.189 -6.434
239 HD1 TRP 32 HD1 TRP 32 7.555 0.216 -7.865
240 HE1 TRP 32 HE1 TRP 32 8.791 2.464 -7.673
241 HE3 TRP 32 HE3 TRP 32 6.483 1.297 -2.992
242 HZ2 TRP 32 HZ2 TRP 32 9.235 4.432 -5.722
243 HZ3 TRP 32 HZ3 TRP 32 7.373 3.378 -2.040
244 HH2 TRP 32 HH2 TRP 32 8.712 4.915 -3.375
245 H LYS 33 HN LYS 33 3.253 -0.389 -6.771
246 HA LYS 33 HA LYS 33 2.925 2.438 -7.042
247 HB2 LYS 33 HB2 LYS 33 2.645 0.865 -8.924
248 HB3 LYS 33 HB1 LYS 33 1.238 0.167 -8.135
249 HG2 LYS 33 HG2 LYS 33 0.084 2.307 -8.313
250 HG3 LYS 33 HG1 LYS 33 1.501 3.008 -9.097
251 HD2 LYS 33 HD2 LYS 33 -0.253 0.787 -10.140
252 HD3 LYS 33 HD1 LYS 33 -0.096 2.417 -10.796
253 HE2 LYS 33 HE2 LYS 33 2.327 1.898 -11.209
254 HE3 LYS 33 HE1 LYS 33 1.972 0.227 -10.775
255 HZ1 LYS 33 HZ1 LYS 33 1.782 0.249 -13.072
256 HZ2 LYS 33 HZ2 LYS 33 1.043 1.770 -13.108
257 HZ3 LYS 33 HZ3 LYS 33 0.171 0.420 -12.575
258 H ARG 34 HN ARG 34 1.403 3.752 -6.127
259 HA ARG 34 HA ARG 34 0.159 2.820 -3.762
260 HB2 ARG 34 HB2 ARG 34 1.002 5.130 -4.054
261 HB3 ARG 34 HB1 ARG 34 -0.307 5.437 -5.190
262 HG2 ARG 34 HG2 ARG 34 -1.948 5.076 -3.458
263 HG3 ARG 34 HG1 ARG 34 -0.684 4.641 -2.309
264 HD2 ARG 34 HD2 ARG 34 0.275 6.915 -2.601
265 HD3 ARG 34 HD1 ARG 34 -1.117 7.330 -3.601
266 HE ARG 34 HE ARG 34 -2.512 6.953 -1.629
267 HH11 ARG 34 HH11 ARG 34 0.922 7.415 -1.149
268 HH12 ARG 34 HH12 ARG 34 0.756 7.880 0.520
269 HH21 ARG 34 HH21 ARG 34 -2.733 7.558 0.583
270 HH22 ARG 34 HH22 ARG 34 -1.319 7.976 1.490
271 HA PRO 35 HA PRO 35 -3.733 1.587 -5.571
272 HB2 PRO 35 HB2 PRO 35 -4.870 0.677 -3.331
273 HB3 PRO 35 HB1 PRO 35 -3.571 -0.215 -4.139
274 HG2 PRO 35 HG2 PRO 35 -3.447 1.527 -1.715
275 HG3 PRO 35 HG1 PRO 35 -2.613 -0.002 -2.041
276 HD2 PRO 35 HD2 PRO 35 -1.469 2.495 -2.304
277 HD3 PRO 35 HD1 PRO 35 -0.904 1.036 -3.137
278 H SER 36 HN SER 36 -5.530 2.716 -5.909
279 HA SER 36 HA SER 36 -6.090 5.097 -4.457
280 HB2 SER 36 HB2 SER 36 -7.947 3.652 -6.358
281 HB3 SER 36 HB1 SER 36 -7.909 5.381 -5.985
282 HG SER 36 HG SER 36 -6.828 4.414 -8.009
283 HA PRO 37 HA PRO 37 -8.530 3.382 -1.196
284 HB2 PRO 37 HB2 PRO 37 -10.229 5.772 -1.211
285 HB3 PRO 37 HB1 PRO 37 -9.079 5.225 0.012
286 HG2 PRO 37 HG2 PRO 37 -8.607 7.388 -1.522
287 HG3 PRO 37 HG1 PRO 37 -7.305 6.317 -0.975
288 HD2 PRO 37 HD2 PRO 37 -8.676 6.418 -3.643
289 HD3 PRO 37 HD1 PRO 37 -6.943 6.258 -3.270
290 H GLU 38 HN GLU 38 -9.735 3.989 -4.213
291 HA GLU 38 HA GLU 38 -12.487 3.394 -3.832
292 HB2 GLU 38 HB2 GLU 38 -12.508 3.091 -6.297
293 HB3 GLU 38 HB1 GLU 38 -11.797 4.613 -5.792
294 HG2 GLU 38 HG2 GLU 38 -9.526 3.464 -6.045
295 HG3 GLU 38 HG1 GLU 38 -10.420 2.179 -6.862
296 H ASP 39 HN ASP 39 -12.171 1.596 -2.395
297 HA ASP 39 HA ASP 39 -12.275 -0.917 -3.862
298 HB2 ASP 39 HB2 ASP 39 -9.938 -0.805 -3.145
299 HB3 ASP 39 HB1 ASP 39 -10.442 -0.495 -1.488
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -1.565 17.682 -0.393
2 H2 GLY 1 HT2 GLY 1 -0.896 18.534 0.917
3 H3 GLY 1 HT3 GLY 1 -2.569 18.520 0.678
4 HA2 GLY 1 HA1 GLY 1 -1.923 17.027 2.480
5 HA3 GLY 1 HA2 GLY 1 -2.712 16.193 1.149
6 H SER 2 HN SER 2 -0.209 15.997 3.256
7 HA SER 2 HA SER 2 1.569 14.566 1.450
8 HB2 SER 2 HB2 SER 2 2.511 16.001 3.268
9 HB3 SER 2 HB1 SER 2 1.813 14.903 4.454
10 HG SER 2 HG SER 2 3.854 14.369 2.561
11 HA PRO 3 HA PRO 3 -0.138 10.896 4.265
12 HB2 PRO 3 HB2 PRO 3 -2.652 11.471 5.270
13 HB3 PRO 3 HB1 PRO 3 -1.160 11.512 6.217
14 HG2 PRO 3 HG2 PRO 3 -2.658 13.753 4.926
15 HG3 PRO 3 HG1 PRO 3 -1.860 13.705 6.509
16 HD2 PRO 3 HD2 PRO 3 -0.731 14.933 4.419
17 HD3 PRO 3 HD1 PRO 3 0.248 14.028 5.592
18 H SER 4 HN SER 4 -1.121 9.383 3.015
19 HA SER 4 HA SER 4 -3.013 10.373 0.990
20 HB2 SER 4 HB2 SER 4 -1.965 8.505 -0.460
21 HB3 SER 4 HB1 SER 4 -1.034 9.983 -0.204
22 HG SER 4 HG SER 4 0.225 8.929 1.280
23 HA PRO 5 HA PRO 5 -5.788 7.409 2.887
24 HB2 PRO 5 HB2 PRO 5 -7.303 8.025 0.406
25 HB3 PRO 5 HB1 PRO 5 -7.832 8.085 2.091
26 HG2 PRO 5 HG2 PRO 5 -7.348 10.331 0.758
27 HG3 PRO 5 HG1 PRO 5 -6.858 10.168 2.456
28 HD2 PRO 5 HD2 PRO 5 -5.191 9.974 -0.024
29 HD3 PRO 5 HD1 PRO 5 -4.814 10.749 1.529
30 H LEU 6 HN LEU 6 -6.324 5.292 2.559
31 HA LEU 6 HA LEU 6 -5.869 4.088 -0.048
32 HB2 LEU 6 HB2 LEU 6 -4.576 2.217 1.145
33 HB3 LEU 6 HB1 LEU 6 -3.734 3.705 0.769
34 HG LEU 6 HG LEU 6 -4.118 4.407 3.165
35 HD11 LEU 6 HD11 LEU 6 -4.908 1.516 3.485
36 HD12 LEU 6 HD12 LEU 6 -5.959 2.916 3.716
37 HD13 LEU 6 HD13 LEU 6 -4.589 2.654 4.801
38 HD21 LEU 6 HD21 LEU 6 -2.288 3.008 4.017
39 HD22 LEU 6 HD22 LEU 6 -1.975 3.587 2.380
40 HD23 LEU 6 HD23 LEU 6 -2.493 1.921 2.642
41 HA PRO 7 HA PRO 7 -9.342 1.543 0.913
42 HB2 PRO 7 HB2 PRO 7 -7.914 -0.869 0.009
43 HB3 PRO 7 HB1 PRO 7 -9.335 -0.086 -0.679
44 HG2 PRO 7 HG2 PRO 7 -6.971 0.014 -1.911
45 HG3 PRO 7 HG1 PRO 7 -8.106 1.376 -1.934
46 HD2 PRO 7 HD2 PRO 7 -5.656 0.983 -0.255
47 HD3 PRO 7 HD1 PRO 7 -6.213 2.432 -1.107
48 HA PRO 8 HA PRO 8 -8.781 -0.389 4.856
49 HB2 PRO 8 HB2 PRO 8 -11.046 -2.155 4.115
50 HB3 PRO 8 HB1 PRO 8 -10.889 -1.030 5.468
51 HG2 PRO 8 HG2 PRO 8 -12.475 -0.455 3.408
52 HG3 PRO 8 HG1 PRO 8 -11.497 0.804 4.189
53 HD2 PRO 8 HD2 PRO 8 -10.970 -0.674 1.630
54 HD3 PRO 8 HD1 PRO 8 -10.806 1.062 1.977
55 H GLY 9 HN GLY 9 -7.503 -1.986 5.537
56 HA2 GLY 9 HA2 GLY 9 -6.773 -4.259 5.601
57 HA3 GLY 9 HA1 GLY 9 -7.363 -4.461 3.958
58 H TRP 10 HN TRP 10 -6.074 -1.741 3.344
59 HA TRP 10 HA TRP 10 -3.442 -2.807 2.716
60 HB2 TRP 10 HB2 TRP 10 -4.955 -0.346 1.906
61 HB3 TRP 10 HB1 TRP 10 -3.213 -0.431 1.670
62 HD1 TRP 10 HD1 TRP 10 -6.475 -1.883 0.338
63 HE1 TRP 10 HE1 TRP 10 -5.991 -3.109 -1.873
64 HE3 TRP 10 HE3 TRP 10 -1.386 -1.711 0.462
65 HZ2 TRP 10 HZ2 TRP 10 -3.697 -3.900 -3.365
66 HZ3 TRP 10 HZ3 TRP 10 -0.117 -2.712 -1.392
67 HH2 TRP 10 HH2 TRP 10 -1.254 -3.787 -3.262
68 H GLU 11 HN GLU 11 -1.513 -2.034 3.461
69 HA GLU 11 HA GLU 11 -1.551 0.223 5.330
70 HB2 GLU 11 HB2 GLU 11 -0.058 -0.955 6.867
71 HB3 GLU 11 HB1 GLU 11 -1.581 -1.816 6.700
72 HG2 GLU 11 HG2 GLU 11 -0.642 -3.562 5.607
73 HG3 GLU 11 HG1 GLU 11 0.658 -2.583 4.916
74 H GLU 12 HN GLU 12 0.525 1.225 5.587
75 HA GLU 12 HA GLU 12 2.129 1.064 3.173
76 HB2 GLU 12 HB2 GLU 12 1.364 3.258 4.085
77 HB3 GLU 12 HB1 GLU 12 2.358 2.974 5.506
78 HG2 GLU 12 HG2 GLU 12 4.354 3.119 4.264
79 HG3 GLU 12 HG1 GLU 12 3.492 3.029 2.729
80 H ARG 13 HN ARG 13 3.647 -0.368 3.115
81 HA ARG 13 HA ARG 13 5.123 -1.130 5.530
82 HB2 ARG 13 HB2 ARG 13 3.987 -2.883 4.099
83 HB3 ARG 13 HB1 ARG 13 5.107 -2.476 2.811
84 HG2 ARG 13 HG2 ARG 13 6.962 -3.294 4.056
85 HG3 ARG 13 HG1 ARG 13 5.987 -3.454 5.518
86 HD2 ARG 13 HD2 ARG 13 4.790 -5.274 4.638
87 HD3 ARG 13 HD1 ARG 13 5.348 -4.958 2.995
88 HE ARG 13 HE ARG 13 7.501 -5.564 4.796
89 HH11 ARG 13 HH11 ARG 13 4.913 -7.061 2.973
90 HH12 ARG 13 HH12 ARG 13 5.797 -8.517 2.637
91 HH21 ARG 13 HH21 ARG 13 8.686 -7.481 4.345
92 HH22 ARG 13 HH22 ARG 13 7.957 -8.731 3.381
93 H GLN 14 HN GLN 14 7.558 -1.810 4.648
94 HA GLN 14 HA GLN 14 8.520 0.581 3.229
95 HB2 GLN 14 HB2 GLN 14 8.860 0.106 5.917
96 HB3 GLN 14 HB1 GLN 14 10.349 -0.522 5.246
97 HG2 GLN 14 HG2 GLN 14 9.264 2.250 4.796
98 HG3 GLN 14 HG1 GLN 14 10.506 1.824 5.971
99 HE21 GLN 14 HE21 GLN 14 11.836 -0.064 4.302
100 HE22 GLN 14 HE22 GLN 14 12.614 0.793 3.020
101 H ASP 15 HN ASP 15 9.575 0.028 1.437
102 HA ASP 15 HA ASP 15 10.301 -2.698 0.904
103 HB2 ASP 15 HB2 ASP 15 9.485 -1.246 -0.893
104 HB3 ASP 15 HB1 ASP 15 10.854 -0.162 -0.649
105 H VAL 16 HN VAL 16 12.377 -3.512 0.586
106 HA VAL 16 HA VAL 16 14.304 -2.962 2.434
107 HB VAL 16 HB VAL 16 14.804 -3.951 -0.351
108 HG11 VAL 16 HG11 VAL 16 16.707 -5.128 0.623
109 HG12 VAL 16 HG12 VAL 16 16.341 -4.412 2.191
110 HG13 VAL 16 HG13 VAL 16 16.837 -3.382 0.850
111 HG21 VAL 16 HG21 VAL 16 14.506 -6.218 0.618
112 HG22 VAL 16 HG22 VAL 16 13.033 -5.248 0.627
113 HG23 VAL 16 HG23 VAL 16 13.959 -5.462 2.115
114 H LEU 17 HN LEU 17 13.953 -1.506 -0.772
115 HA LEU 17 HA LEU 17 16.502 -0.168 -0.611
116 HB2 LEU 17 HB2 LEU 17 14.263 0.064 -2.614
117 HB3 LEU 17 HB1 LEU 17 15.828 0.839 -2.770
118 HG LEU 17 HG LEU 17 15.375 -2.149 -2.688
119 HD11 LEU 17 HD11 LEU 17 16.076 -0.351 -5.001
120 HD12 LEU 17 HD12 LEU 17 14.504 -1.101 -4.730
121 HD13 LEU 17 HD13 LEU 17 15.918 -2.104 -5.050
122 HD21 LEU 17 HD21 LEU 17 17.547 -1.498 -1.786
123 HD22 LEU 17 HD22 LEU 17 17.865 -0.531 -3.223
124 HD23 LEU 17 HD23 LEU 17 17.728 -2.282 -3.353
125 H GLY 18 HN GLY 18 13.462 0.489 0.706
126 HA2 GLY 18 HA2 GLY 18 13.204 2.317 2.194
127 HA3 GLY 18 HA1 GLY 18 14.389 3.228 1.255
128 H ARG 19 HN ARG 19 12.174 1.547 -0.612
129 HA ARG 19 HA ARG 19 10.711 3.933 -1.335
130 HB2 ARG 19 HB2 ARG 19 10.631 1.062 -2.238
131 HB3 ARG 19 HB1 ARG 19 9.418 2.221 -2.749
132 HG2 ARG 19 HG2 ARG 19 11.022 2.058 -4.471
133 HG3 ARG 19 HG1 ARG 19 11.254 3.619 -3.685
134 HD2 ARG 19 HD2 ARG 19 13.194 2.912 -2.600
135 HD3 ARG 19 HD1 ARG 19 12.841 1.210 -2.897
136 HE ARG 19 HE ARG 19 13.155 1.920 -5.362
137 HH11 ARG 19 HH11 ARG 19 14.935 3.196 -2.636
138 HH12 ARG 19 HH12 ARG 19 16.394 3.474 -3.539
139 HH21 ARG 19 HH21 ARG 19 15.065 2.285 -6.569
140 HH22 ARG 19 HH22 ARG 19 16.450 2.992 -5.792
141 H THR 20 HN THR 20 8.435 4.204 -0.918
142 HA THR 20 HA THR 20 7.528 2.811 1.413
143 HB THR 20 HB THR 20 5.299 4.054 0.436
144 HG1 THR 20 HG1 THR 20 5.871 5.574 -0.919
145 HG21 THR 20 HG21 THR 20 6.133 4.216 2.685
146 HG22 THR 20 HG22 THR 20 5.907 5.845 2.042
147 HG23 THR 20 HG23 THR 20 7.531 5.147 2.141
148 H TYR 21 HN TYR 21 7.184 0.813 1.181
149 HA TYR 21 HA TYR 21 5.876 -0.355 -1.127
150 HB2 TYR 21 HB2 TYR 21 7.838 -1.249 0.323
151 HB3 TYR 21 HB1 TYR 21 6.587 -1.719 1.458
152 HD1 TYR 21 HD1 TYR 21 7.289 -2.040 -2.197
153 HD2 TYR 21 HD2 TYR 21 5.907 -3.866 1.379
154 HE1 TYR 21 HE1 TYR 21 7.052 -4.176 -3.391
155 HE2 TYR 21 HE2 TYR 21 5.659 -5.990 0.220
156 HH TYR 21 HH TYR 21 5.440 -6.896 -2.025
157 H TYR 22 HN TYR 22 3.943 -1.851 -0.719
158 HA TYR 22 HA TYR 22 2.459 -1.190 1.709
159 HB2 TYR 22 HB2 TYR 22 1.180 -1.056 -1.031
160 HB3 TYR 22 HB1 TYR 22 0.351 -0.880 0.501
161 HD1 TYR 22 HD2 TYR 22 2.666 0.757 -1.843
162 HD2 TYR 22 HD1 TYR 22 0.455 1.160 1.766
163 HE1 TYR 22 HE2 TYR 22 3.096 3.175 -1.862
164 HE2 TYR 22 HE1 TYR 22 0.879 3.579 1.766
165 HH TYR 22 HH TYR 22 2.544 5.140 0.867
166 H VAL 23 HN VAL 23 0.768 -2.707 2.196
167 HA VAL 23 HA VAL 23 0.711 -5.161 0.633
168 HB VAL 23 HB VAL 23 2.429 -5.832 2.074
169 HG11 VAL 23 HG11 VAL 23 2.396 -3.945 3.594
170 HG12 VAL 23 HG12 VAL 23 2.456 -5.468 4.490
171 HG13 VAL 23 HG13 VAL 23 0.937 -4.575 4.363
172 HG21 VAL 23 HG21 VAL 23 0.642 -7.475 2.017
173 HG22 VAL 23 HG22 VAL 23 -0.129 -6.704 3.407
174 HG23 VAL 23 HG23 VAL 23 1.445 -7.486 3.590
175 H ASN 24 HN ASN 24 -1.273 -5.918 0.469
176 HA ASN 24 HA ASN 24 -3.396 -4.948 2.215
177 HB2 ASN 24 HB2 ASN 24 -3.699 -5.124 -0.281
178 HB3 ASN 24 HB1 ASN 24 -3.563 -6.871 -0.128
179 HD21 ASN 24 HD21 ASN 24 -5.783 -5.238 -1.104
180 HD22 ASN 24 HD22 ASN 24 -7.152 -5.666 -0.135
181 H HIS 25 HN HIS 25 -4.185 -6.091 3.879
182 HA HIS 25 HA HIS 25 -2.806 -8.524 4.581
183 HB2 HIS 25 HB2 HIS 25 -4.745 -6.723 5.981
184 HB3 HIS 25 HB1 HIS 25 -4.402 -8.321 6.633
185 HD1 HIS 25 HD1 HIS 25 -2.839 -8.053 8.495
186 HD2 HIS 25 HD2 HIS 25 -1.917 -5.504 5.346
187 HE1 HIS 25 HE1 HIS 25 -0.712 -6.892 9.165
188 HE2 HIS 25 HE2 HIS 25 -0.310 -5.191 7.357
189 H GLU 26 HN GLU 26 -5.720 -7.819 2.960
190 HA GLU 26 HA GLU 26 -7.118 -10.196 3.797
191 HB2 GLU 26 HB2 GLU 26 -8.330 -8.176 3.040
192 HB3 GLU 26 HB1 GLU 26 -7.617 -8.365 1.440
193 HG2 GLU 26 HG2 GLU 26 -8.787 -10.414 1.090
194 HG3 GLU 26 HG1 GLU 26 -9.383 -10.413 2.749
195 H SER 27 HN SER 27 -5.726 -9.129 0.714
196 HA SER 27 HA SER 27 -5.812 -11.849 -0.286
197 HB2 SER 27 HB2 SER 27 -5.092 -10.752 -2.415
198 HB3 SER 27 HB1 SER 27 -6.576 -10.088 -1.751
199 HG SER 27 HG SER 27 -4.281 -8.836 -2.306
200 H ARG 28 HN ARG 28 -3.724 -10.082 1.526
201 HA ARG 28 HA ARG 28 -1.563 -10.316 2.173
202 HB2 ARG 28 HB2 ARG 28 -1.632 -12.907 0.606
203 HB3 ARG 28 HB1 ARG 28 -0.487 -12.478 1.870
204 HG2 ARG 28 HG2 ARG 28 -3.456 -12.785 2.291
205 HG3 ARG 28 HG1 ARG 28 -2.265 -14.046 2.610
206 HD2 ARG 28 HD2 ARG 28 -1.372 -12.930 4.421
207 HD3 ARG 28 HD1 ARG 28 -1.923 -11.355 3.849
208 HE ARG 28 HE ARG 28 -4.111 -11.873 4.614
209 HH11 ARG 28 HH11 ARG 28 -1.680 -14.198 5.599
210 HH12 ARG 28 HH12 ARG 28 -2.659 -14.861 6.872
211 HH21 ARG 28 HH21 ARG 28 -5.384 -12.739 6.290
212 HH22 ARG 28 HH22 ARG 28 -4.768 -14.039 7.265
213 H THR 29 HN THR 29 -2.320 -9.036 -0.353
214 HA THR 29 HA THR 29 -0.199 -9.642 -2.223
215 HB THR 29 HB THR 29 -2.354 -7.531 -2.378
216 HG1 THR 29 HG1 THR 29 -2.228 -10.242 -3.225
217 HG21 THR 29 HG21 THR 29 -0.563 -8.712 -4.506
218 HG22 THR 29 HG22 THR 29 -0.480 -7.067 -3.868
219 HG23 THR 29 HG23 THR 29 -1.893 -7.587 -4.789
220 H THR 30 HN THR 30 1.748 -8.785 -1.913
221 HA THR 30 HA THR 30 2.022 -6.125 -0.765
222 HB THR 30 HB THR 30 4.524 -6.725 -1.272
223 HG1 THR 30 HG1 THR 30 4.798 -9.048 -1.181
224 HG21 THR 30 HG21 THR 30 2.834 -7.955 0.895
225 HG22 THR 30 HG22 THR 30 3.796 -6.473 0.959
226 HG23 THR 30 HG23 THR 30 4.596 -8.040 0.877
227 H GLN 31 HN GLN 31 2.370 -4.344 -1.968
228 HA GLN 31 HA GLN 31 2.855 -4.722 -4.846
229 HB2 GLN 31 HB2 GLN 31 0.456 -4.424 -4.455
230 HB3 GLN 31 HB1 GLN 31 0.772 -2.930 -3.584
231 HG2 GLN 31 HG2 GLN 31 1.673 -1.940 -5.641
232 HG3 GLN 31 HG1 GLN 31 1.296 -3.433 -6.502
233 HE21 GLN 31 HE21 GLN 31 -0.022 -0.628 -4.909
234 HE22 GLN 31 HE22 GLN 31 -1.616 -0.759 -5.569
235 H TRP 32 HN TRP 32 4.069 -3.175 -5.849
236 HA TRP 32 HA TRP 32 5.230 -1.117 -4.141
237 HB2 TRP 32 HB2 TRP 32 6.945 -2.292 -5.146
238 HB3 TRP 32 HB1 TRP 32 6.149 -2.386 -6.707
239 HD1 TRP 32 HD1 TRP 32 7.612 -1.057 -8.349
240 HE1 TRP 32 HE1 TRP 32 8.714 1.268 -8.371
241 HE3 TRP 32 HE3 TRP 32 6.575 0.366 -3.555
242 HZ2 TRP 32 HZ2 TRP 32 9.092 3.422 -6.582
243 HZ3 TRP 32 HZ3 TRP 32 7.353 2.558 -2.784
244 HH2 TRP 32 HH2 TRP 32 8.580 4.059 -4.270
245 H LYS 33 HN LYS 33 3.216 -0.159 -4.199
246 HA LYS 33 HA LYS 33 3.170 2.237 -5.575
247 HB2 LYS 33 HB2 LYS 33 2.591 1.038 -7.599
248 HB3 LYS 33 HB1 LYS 33 1.301 0.178 -6.769
249 HG2 LYS 33 HG2 LYS 33 0.169 2.360 -6.406
250 HG3 LYS 33 HG1 LYS 33 1.409 3.112 -7.415
251 HD2 LYS 33 HD2 LYS 33 0.743 1.761 -9.310
252 HD3 LYS 33 HD1 LYS 33 -0.435 0.898 -8.313
253 HE2 LYS 33 HE2 LYS 33 -1.636 3.001 -7.930
254 HE3 LYS 33 HE1 LYS 33 -0.463 3.847 -8.938
255 HZ1 LYS 33 HZ1 LYS 33 -2.494 3.332 -10.141
256 HZ2 LYS 33 HZ2 LYS 33 -2.270 1.674 -9.857
257 HZ3 LYS 33 HZ3 LYS 33 -1.164 2.530 -10.821
258 H ARG 34 HN ARG 34 1.668 3.615 -4.666
259 HA ARG 34 HA ARG 34 0.217 2.847 -2.385
260 HB2 ARG 34 HB2 ARG 34 0.763 5.169 -2.663
261 HB3 ARG 34 HB1 ARG 34 -0.076 5.244 -4.212
262 HG2 ARG 34 HG2 ARG 34 -2.198 4.746 -3.003
263 HG3 ARG 34 HG1 ARG 34 -1.308 4.893 -1.489
264 HD2 ARG 34 HD2 ARG 34 -0.831 7.185 -1.901
265 HD3 ARG 34 HD1 ARG 34 -1.432 7.081 -3.557
266 HE ARG 34 HE ARG 34 -3.312 6.529 -1.385
267 HH11 ARG 34 HH11 ARG 34 -2.152 8.759 -3.827
268 HH12 ARG 34 HH12 ARG 34 -3.627 9.671 -3.867
269 HH21 ARG 34 HH21 ARG 34 -5.249 7.723 -1.451
270 HH22 ARG 34 HH22 ARG 34 -5.384 9.090 -2.520
271 HA PRO 35 HA PRO 35 -3.374 1.110 -4.389
272 HB2 PRO 35 HB2 PRO 35 -4.887 0.805 -2.155
273 HB3 PRO 35 HB1 PRO 35 -3.588 -0.309 -2.592
274 HG2 PRO 35 HG2 PRO 35 -3.612 1.866 -0.565
275 HG3 PRO 35 HG1 PRO 35 -2.787 0.300 -0.524
276 HD2 PRO 35 HD2 PRO 35 -1.569 2.712 -1.104
277 HD3 PRO 35 HD1 PRO 35 -0.942 1.126 -1.578
278 H SER 36 HN SER 36 -4.333 2.696 -5.562
279 HA SER 36 HA SER 36 -5.416 5.086 -4.643
280 HB2 SER 36 HB2 SER 36 -6.451 3.346 -6.906
281 HB3 SER 36 HB1 SER 36 -6.707 5.081 -6.722
282 HG SER 36 HG SER 36 -4.980 4.525 -8.180
283 HA PRO 37 HA PRO 37 -8.874 3.719 -2.251
284 HB2 PRO 37 HB2 PRO 37 -10.336 6.168 -2.858
285 HB3 PRO 37 HB1 PRO 37 -9.543 5.692 -1.355
286 HG2 PRO 37 HG2 PRO 37 -8.612 7.701 -2.900
287 HG3 PRO 37 HG1 PRO 37 -7.542 6.658 -1.946
288 HD2 PRO 37 HD2 PRO 37 -8.222 6.494 -4.864
289 HD3 PRO 37 HD1 PRO 37 -6.628 6.401 -4.075
290 H GLU 38 HN GLU 38 -8.891 3.119 -5.176
291 HA GLU 38 HA GLU 38 -11.732 3.177 -5.786
292 HB2 GLU 38 HB2 GLU 38 -11.025 2.020 -7.899
293 HB3 GLU 38 HB1 GLU 38 -10.300 3.604 -7.669
294 HG2 GLU 38 HG2 GLU 38 -8.229 2.503 -6.873
295 HG3 GLU 38 HG1 GLU 38 -8.973 0.939 -7.195
296 H ASP 39 HN ASP 39 -12.184 1.963 -3.849
297 HA ASP 39 HA ASP 39 -12.153 -0.902 -4.319
298 HB2 ASP 39 HB2 ASP 39 -10.052 -0.512 -3.091
299 HB3 ASP 39 HB1 ASP 39 -10.939 0.304 -1.815
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