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 |
|
|
599785 |
2n8u   |
25866 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 18.035 -4.378 4.611
2 H2 GLY 1 HT2 GLY 1 18.700 -4.035 6.129
3 H3 GLY 1 HT3 GLY 1 17.096 -3.623 5.805
4 HA2 GLY 1 HA1 GLY 1 18.207 -6.368 6.022
5 HA3 GLY 1 HA2 GLY 1 17.140 -5.578 7.173
6 H SER 2 HN SER 2 16.625 -8.059 5.895
7 HA SER 2 HA SER 2 15.095 -7.924 3.575
8 HB2 SER 2 HB2 SER 2 14.743 -9.892 5.839
9 HB3 SER 2 HB1 SER 2 14.369 -10.148 4.135
10 HG SER 2 HG SER 2 16.325 -10.879 4.018
11 H SER 3 HN SER 3 14.074 -7.729 6.962
12 HA SER 3 HA SER 3 12.208 -6.943 7.975
13 HB2 SER 3 HB2 SER 3 11.453 -5.842 5.257
14 HB3 SER 3 HB1 SER 3 10.757 -5.366 6.810
15 HG SER 3 HG SER 3 13.295 -4.824 5.732
16 H SER 4 HN SER 4 9.779 -7.224 8.032
17 HA SER 4 HA SER 4 8.952 -9.574 6.467
18 HB2 SER 4 HB2 SER 4 7.854 -10.361 8.667
19 HB3 SER 4 HB1 SER 4 9.603 -10.535 8.520
20 HG SER 4 HG SER 4 8.400 -9.382 10.462
21 H GLY 5 HN GLY 5 8.307 -6.638 6.400
22 HA2 GLY 5 HA2 GLY 5 5.379 -6.895 6.726
23 HA3 GLY 5 HA1 GLY 5 6.231 -5.424 7.168
24 H LEU 6 HN LEU 6 4.744 -4.395 5.664
25 HA LEU 6 HA LEU 6 4.899 -4.963 2.879
26 HB2 LEU 6 HB2 LEU 6 3.783 -2.598 4.416
27 HB3 LEU 6 HB1 LEU 6 3.792 -2.655 2.665
28 HG LEU 6 HG LEU 6 1.617 -3.292 3.569
29 HD11 LEU 6 HD11 LEU 6 1.338 -5.405 2.350
30 HD12 LEU 6 HD12 LEU 6 3.094 -5.561 2.255
31 HD13 LEU 6 HD13 LEU 6 2.278 -4.221 1.447
32 HD21 LEU 6 HD21 LEU 6 2.317 -4.261 5.695
33 HD22 LEU 6 HD22 LEU 6 3.032 -5.625 4.837
34 HD23 LEU 6 HD23 LEU 6 1.289 -5.371 4.784
35 HA PRO 7 HA PRO 7 8.567 -3.142 1.392
36 HB2 PRO 7 HB2 PRO 7 7.483 -1.284 -0.428
37 HB3 PRO 7 HB1 PRO 7 7.979 -2.940 -0.779
38 HG2 PRO 7 HG2 PRO 7 5.269 -1.858 -0.190
39 HG3 PRO 7 HG1 PRO 7 5.745 -3.178 -1.271
40 HD2 PRO 7 HD2 PRO 7 4.610 -3.702 1.074
41 HD3 PRO 7 HD1 PRO 7 5.955 -4.703 0.477
42 HA PRO 8 HA PRO 8 9.714 0.408 3.725
43 HB2 PRO 8 HB2 PRO 8 11.065 1.154 1.155
44 HB3 PRO 8 HB1 PRO 8 11.693 1.196 2.808
45 HG2 PRO 8 HG2 PRO 8 12.357 -0.799 1.203
46 HG3 PRO 8 HG1 PRO 8 11.957 -1.122 2.901
47 HD2 PRO 8 HD2 PRO 8 10.345 -1.627 0.443
48 HD3 PRO 8 HD1 PRO 8 10.417 -2.547 1.959
49 H GLY 9 HN GLY 9 8.059 1.755 4.088
50 HA2 GLY 9 HA2 GLY 9 7.288 3.980 3.872
51 HA3 GLY 9 HA1 GLY 9 7.717 3.936 2.171
52 H TRP 10 HN TRP 10 6.134 1.099 2.907
53 HA TRP 10 HA TRP 10 3.560 2.266 2.072
54 HB2 TRP 10 HB2 TRP 10 4.804 -0.317 1.104
55 HB3 TRP 10 HB1 TRP 10 3.196 0.266 0.673
56 HD1 TRP 10 HD1 TRP 10 6.912 1.129 0.099
57 HE1 TRP 10 HE1 TRP 10 7.086 2.628 -1.989
58 HE3 TRP 10 HE3 TRP 10 1.938 1.816 -0.816
59 HZ2 TRP 10 HZ2 TRP 10 5.335 3.907 -3.797
60 HZ3 TRP 10 HZ3 TRP 10 1.262 3.189 -2.742
61 HH2 TRP 10 HH2 TRP 10 2.934 4.218 -4.206
62 H GLU 11 HN GLU 11 1.665 1.161 2.731
63 HA GLU 11 HA GLU 11 1.912 -1.189 4.405
64 HB2 GLU 11 HB2 GLU 11 2.265 0.640 6.004
65 HB3 GLU 11 HB1 GLU 11 0.780 1.402 5.479
66 HG2 GLU 11 HG2 GLU 11 0.528 0.262 7.609
67 HG3 GLU 11 HG1 GLU 11 -0.518 -0.417 6.366
68 H GLU 12 HN GLU 12 -0.016 -2.417 4.394
69 HA GLU 12 HA GLU 12 -1.895 -1.459 2.325
70 HB2 GLU 12 HB2 GLU 12 -0.543 -3.316 1.560
71 HB3 GLU 12 HB1 GLU 12 -0.988 -4.269 2.970
72 HG2 GLU 12 HG2 GLU 12 -3.258 -4.433 2.213
73 HG3 GLU 12 HG1 GLU 12 -2.937 -3.316 0.885
74 H LYS 13 HN LYS 13 -3.945 -1.174 2.853
75 HA LYS 13 HA LYS 13 -5.077 -2.736 5.078
76 HB2 LYS 13 HB2 LYS 13 -5.230 0.235 4.662
77 HB3 LYS 13 HB1 LYS 13 -6.562 -0.607 5.435
78 HG2 LYS 13 HG2 LYS 13 -5.206 0.228 7.167
79 HG3 LYS 13 HG1 LYS 13 -4.883 -1.504 7.087
80 HD2 LYS 13 HD2 LYS 13 -2.883 -0.964 5.680
81 HD3 LYS 13 HD1 LYS 13 -3.170 0.739 6.034
82 HE2 LYS 13 HE2 LYS 13 -2.697 -1.407 8.093
83 HE3 LYS 13 HE1 LYS 13 -1.473 -0.285 7.503
84 HZ1 LYS 13 HZ1 LYS 13 -2.903 1.547 8.334
85 HZ2 LYS 13 HZ2 LYS 13 -2.325 0.530 9.558
86 HZ3 LYS 13 HZ3 LYS 13 -3.930 0.390 9.038
87 H GLN 14 HN GLN 14 -7.005 -3.670 4.633
88 HA GLN 14 HA GLN 14 -8.090 -3.310 1.973
89 HB2 GLN 14 HB2 GLN 14 -9.061 -5.109 4.208
90 HB3 GLN 14 HB1 GLN 14 -9.570 -5.168 2.529
91 HG2 GLN 14 HG2 GLN 14 -8.072 -6.935 2.777
92 HG3 GLN 14 HG1 GLN 14 -7.165 -5.675 1.945
93 HE21 GLN 14 HE21 GLN 14 -7.894 -5.595 5.370
94 HE22 GLN 14 HE22 GLN 14 -6.270 -5.824 5.916
95 H ASP 15 HN ASP 15 -10.437 -2.984 1.631
96 HA ASP 15 HA ASP 15 -11.502 -0.960 3.422
97 HB2 ASP 15 HB2 ASP 15 -13.098 -0.485 1.738
98 HB3 ASP 15 HB1 ASP 15 -11.621 -0.854 0.856
99 H ASP 16 HN ASP 16 -14.219 -1.400 3.377
100 HA ASP 16 HA ASP 16 -14.419 -3.464 5.357
101 HB2 ASP 16 HB2 ASP 16 -16.541 -2.651 5.835
102 HB3 ASP 16 HB1 ASP 16 -15.719 -1.219 5.228
103 H ARG 17 HN ARG 17 -14.683 -3.468 1.972
104 HA ARG 17 HA ARG 17 -16.474 -5.761 1.930
105 HB2 ARG 17 HB2 ARG 17 -14.996 -4.427 -0.343
106 HB3 ARG 17 HB1 ARG 17 -16.202 -5.688 -0.504
107 HG2 ARG 17 HG2 ARG 17 -16.586 -2.871 0.380
108 HG3 ARG 17 HG1 ARG 17 -17.284 -3.683 -1.014
109 HD2 ARG 17 HD2 ARG 17 -17.912 -4.181 1.887
110 HD3 ARG 17 HD1 ARG 17 -18.966 -3.445 0.685
111 HE ARG 17 HE ARG 17 -18.078 -6.252 0.460
112 HH11 ARG 17 HH11 ARG 17 -20.581 -3.810 0.411
113 HH12 ARG 17 HH12 ARG 17 -21.869 -4.942 0.119
114 HH21 ARG 17 HH21 ARG 17 -19.757 -7.749 0.059
115 HH22 ARG 17 HH22 ARG 17 -21.398 -7.187 -0.092
116 H GLY 18 HN GLY 18 -13.076 -5.031 1.139
117 HA2 GLY 18 HA2 GLY 18 -11.661 -6.919 2.231
118 HA3 GLY 18 HA1 GLY 18 -12.541 -7.932 1.099
119 H ARG 19 HN ARG 19 -11.890 -4.823 -0.110
120 HA ARG 19 HA ARG 19 -9.752 -5.939 -1.793
121 HB2 ARG 19 HB2 ARG 19 -11.345 -3.389 -2.137
122 HB3 ARG 19 HB1 ARG 19 -10.198 -4.055 -3.292
123 HG2 ARG 19 HG2 ARG 19 -11.636 -6.068 -3.466
124 HG3 ARG 19 HG1 ARG 19 -12.825 -5.246 -2.456
125 HD2 ARG 19 HD2 ARG 19 -11.762 -4.144 -5.048
126 HD3 ARG 19 HD1 ARG 19 -13.240 -5.086 -4.915
127 HE ARG 19 HE ARG 19 -13.146 -2.783 -3.179
128 HH11 ARG 19 HH11 ARG 19 -14.037 -4.006 -6.344
129 HH12 ARG 19 HH12 ARG 19 -15.150 -2.707 -6.671
130 HH21 ARG 19 HH21 ARG 19 -14.598 -1.069 -3.612
131 HH22 ARG 19 HH22 ARG 19 -15.477 -1.048 -5.122
132 H SER 20 HN SER 20 -7.684 -5.218 -1.609
133 HA SER 20 HA SER 20 -7.259 -3.502 0.701
134 HB2 SER 20 HB2 SER 20 -4.930 -4.404 0.614
135 HB3 SER 20 HB1 SER 20 -6.172 -5.628 0.832
136 HG SER 20 HG SER 20 -4.313 -5.582 -1.000
137 H TYR 21 HN TYR 21 -6.810 -1.462 0.466
138 HA TYR 21 HA TYR 21 -5.384 -0.544 -1.926
139 HB2 TYR 21 HB2 TYR 21 -6.064 1.759 -1.090
140 HB3 TYR 21 HB1 TYR 21 -7.380 0.720 -1.620
141 HD1 TYR 21 HD2 TYR 21 -5.705 2.159 1.339
142 HD2 TYR 21 HD1 TYR 21 -9.078 0.008 -0.113
143 HE1 TYR 21 HE2 TYR 21 -6.837 2.483 3.497
144 HE2 TYR 21 HE1 TYR 21 -10.216 0.329 2.035
145 HH TYR 21 HH TYR 21 -9.671 0.769 4.354
146 H TYR 22 HN TYR 22 -3.777 1.295 -1.410
147 HA TYR 22 HA TYR 22 -2.183 0.314 0.855
148 HB2 TYR 22 HB2 TYR 22 -1.133 1.468 -1.737
149 HB3 TYR 22 HB1 TYR 22 -0.175 0.761 -0.433
150 HD1 TYR 22 HD1 TYR 22 -2.428 0.038 -3.249
151 HD2 TYR 22 HD2 TYR 22 -0.055 -1.624 -0.134
152 HE1 TYR 22 HE1 TYR 22 -2.618 -2.179 -4.295
153 HE2 TYR 22 HE2 TYR 22 -0.237 -3.845 -1.171
154 HH TYR 22 HH TYR 22 -1.689 -5.050 -2.678
155 H VAL 23 HN VAL 23 -1.618 1.727 2.362
156 HA VAL 23 HA VAL 23 -1.931 4.562 1.766
157 HB VAL 23 HB VAL 23 -2.956 3.856 3.851
158 HG11 VAL 23 HG11 VAL 23 -0.207 3.000 4.725
159 HG12 VAL 23 HG12 VAL 23 -1.578 1.938 4.399
160 HG13 VAL 23 HG13 VAL 23 -1.641 3.069 5.754
161 HG21 VAL 23 HG21 VAL 23 -0.508 5.559 4.292
162 HG22 VAL 23 HG22 VAL 23 -1.885 5.453 5.390
163 HG23 VAL 23 HG23 VAL 23 -2.100 6.111 3.767
164 H ASP 24 HN ASP 24 -0.320 5.530 0.955
165 HA ASP 24 HA ASP 24 2.346 4.423 1.123
166 HB2 ASP 24 HB2 ASP 24 1.565 5.101 -1.062
167 HB3 ASP 24 HB1 ASP 24 1.196 6.720 -0.473
168 H HIS 25 HN HIS 25 3.766 5.047 2.544
169 HA HIS 25 HA HIS 25 3.364 7.441 4.143
170 HB2 HIS 25 HB2 HIS 25 5.634 5.419 4.172
171 HB3 HIS 25 HB1 HIS 25 5.393 6.704 5.346
172 HD1 HIS 25 HD1 HIS 25 4.781 5.561 7.451
173 HD2 HIS 25 HD2 HIS 25 2.766 3.968 4.181
174 HE1 HIS 25 HE1 HIS 25 3.231 3.824 8.389
175 HE2 HIS 25 HE2 HIS 25 2.095 2.806 6.392
176 H ASN 26 HN ASN 26 5.007 6.461 1.340
177 HA ASN 26 HA ASN 26 7.265 8.140 1.417
178 HB2 ASN 26 HB2 ASN 26 7.569 6.469 -0.104
179 HB3 ASN 26 HB1 ASN 26 5.871 6.445 -0.575
180 HD21 ASN 26 HD21 ASN 26 5.204 7.562 -2.308
181 HD22 ASN 26 HD22 ASN 26 6.280 8.431 -3.368
182 H SER 27 HN SER 27 4.132 8.566 -0.270
183 HA SER 27 HA SER 27 4.740 11.453 -0.397
184 HB2 SER 27 HB2 SER 27 2.722 9.884 -2.024
185 HB3 SER 27 HB1 SER 27 3.150 11.582 -2.238
186 HG SER 27 HG SER 27 5.054 9.499 -2.396
187 H LYS 28 HN LYS 28 3.181 9.317 1.464
188 HA LYS 28 HA LYS 28 1.462 9.314 2.917
189 HB2 LYS 28 HB2 LYS 28 1.890 12.293 2.724
190 HB3 LYS 28 HB1 LYS 28 0.745 11.562 3.840
191 HG2 LYS 28 HG2 LYS 28 2.569 11.800 5.187
192 HG3 LYS 28 HG1 LYS 28 2.818 10.162 4.587
193 HD2 LYS 28 HD2 LYS 28 4.919 11.159 4.369
194 HD3 LYS 28 HD1 LYS 28 4.234 11.262 2.748
195 HE2 LYS 28 HE2 LYS 28 3.982 13.514 4.724
196 HE3 LYS 28 HE1 LYS 28 5.399 13.339 3.694
197 HZ1 LYS 28 HZ1 LYS 28 3.677 14.861 2.810
198 HZ2 LYS 28 HZ2 LYS 28 2.618 13.544 2.657
199 HZ3 LYS 28 HZ3 LYS 28 4.054 13.586 1.760
200 H THR 29 HN THR 29 0.166 8.377 1.214
201 HA THR 29 HA THR 29 -2.322 9.803 1.022
202 HB THR 29 HB THR 29 -1.288 10.726 -0.953
203 HG1 THR 29 HG1 THR 29 -2.941 10.264 -2.280
204 HG21 THR 29 HG21 THR 29 -0.779 7.868 -1.807
205 HG22 THR 29 HG22 THR 29 0.445 9.051 -1.339
206 HG23 THR 29 HG23 THR 29 -0.509 9.301 -2.801
207 H THR 30 HN THR 30 -4.027 8.443 0.980
208 HA THR 30 HA THR 30 -3.525 5.583 0.823
209 HB THR 30 HB THR 30 -6.252 5.930 1.178
210 HG1 THR 30 HG1 THR 30 -5.218 7.678 3.087
211 HG21 THR 30 HG21 THR 30 -4.074 5.636 3.244
212 HG22 THR 30 HG22 THR 30 -4.894 4.332 2.383
213 HG23 THR 30 HG23 THR 30 -5.787 5.330 3.529
214 H THR 31 HN THR 31 -3.385 4.887 -1.241
215 HA THR 31 HA THR 31 -5.652 5.260 -2.997
216 HB THR 31 HB THR 31 -4.241 7.282 -3.414
217 HG1 THR 31 HG1 THR 31 -4.735 7.167 -5.486
218 HG21 THR 31 HG21 THR 31 -2.219 5.292 -4.443
219 HG22 THR 31 HG22 THR 31 -2.050 6.261 -2.978
220 HG23 THR 31 HG23 THR 31 -2.106 7.047 -4.557
221 H TRP 32 HN TRP 32 -4.894 4.200 -5.262
222 HA TRP 32 HA TRP 32 -3.827 1.576 -4.478
223 HB2 TRP 32 HB2 TRP 32 -5.340 2.348 -6.994
224 HB3 TRP 32 HB1 TRP 32 -4.931 0.717 -6.477
225 HD1 TRP 32 HD1 TRP 32 -7.114 3.688 -5.250
226 HE1 TRP 32 HE1 TRP 32 -9.167 2.726 -4.024
227 HE3 TRP 32 HE3 TRP 32 -5.933 -1.292 -5.441
228 HZ2 TRP 32 HZ2 TRP 32 -10.150 0.206 -3.248
229 HZ3 TRP 32 HZ3 TRP 32 -7.492 -2.906 -4.428
230 HH2 TRP 32 HH2 TRP 32 -9.554 -2.170 -3.355
231 H SER 33 HN SER 33 -1.648 1.830 -4.616
232 HA SER 33 HA SER 33 -0.574 2.337 -7.298
233 HB2 SER 33 HB2 SER 33 -0.299 4.375 -5.858
234 HB3 SER 33 HB1 SER 33 0.669 3.400 -4.753
235 HG SER 33 HG SER 33 2.296 3.449 -6.106
236 H LYS 34 HN LYS 34 1.356 1.203 -7.767
237 HA LYS 34 HA LYS 34 1.817 -1.092 -6.072
238 HB2 LYS 34 HB2 LYS 34 2.521 -0.351 -8.828
239 HB3 LYS 34 HB1 LYS 34 3.772 -1.245 -7.970
240 HG2 LYS 34 HG2 LYS 34 2.062 -2.953 -7.396
241 HG3 LYS 34 HG1 LYS 34 0.925 -2.098 -8.441
242 HD2 LYS 34 HD2 LYS 34 2.279 -2.524 -10.367
243 HD3 LYS 34 HD1 LYS 34 3.592 -3.148 -9.366
244 HE2 LYS 34 HE2 LYS 34 0.864 -4.395 -9.727
245 HE3 LYS 34 HE1 LYS 34 2.384 -4.984 -10.401
246 HZ1 LYS 34 HZ1 LYS 34 1.565 -4.922 -7.546
247 HZ2 LYS 34 HZ2 LYS 34 3.175 -5.188 -8.032
248 HZ3 LYS 34 HZ3 LYS 34 1.961 -6.277 -8.491
249 HA PRO 35 HA PRO 35 4.828 0.429 -3.314
250 HB2 PRO 35 HB2 PRO 35 6.374 -1.980 -3.843
251 HB3 PRO 35 HB1 PRO 35 5.555 -1.480 -2.364
252 HG2 PRO 35 HG2 PRO 35 4.701 -3.378 -4.349
253 HG3 PRO 35 HG1 PRO 35 3.919 -2.966 -2.817
254 HD2 PRO 35 HD2 PRO 35 2.935 -2.389 -5.342
255 HD3 PRO 35 HD1 PRO 35 2.436 -1.582 -3.843
256 H THR 36 HN THR 36 6.821 1.359 -3.260
257 HA THR 36 HA THR 36 8.211 2.140 -5.511
258 HB THR 36 HB THR 36 9.463 1.651 -2.789
259 HG1 THR 36 HG1 THR 36 8.241 4.048 -3.722
260 HG21 THR 36 HG21 THR 36 10.166 3.636 -4.968
261 HG22 THR 36 HG22 THR 36 11.066 2.164 -4.599
262 HG23 THR 36 HG23 THR 36 10.979 3.468 -3.413
263 H MET 37 HN MET 37 8.910 -0.583 -3.349
264 HA MET 37 HA MET 37 10.696 -1.731 -5.353
265 HB2 MET 37 HB2 MET 37 10.037 -2.554 -2.517
266 HB3 MET 37 HB1 MET 37 11.067 -3.494 -3.586
267 HG2 MET 37 HG2 MET 37 12.654 -1.685 -3.720
268 HG3 MET 37 HG1 MET 37 11.606 -0.654 -2.749
269 HE1 MET 37 HE1 MET 37 12.161 -4.528 -2.035
270 HE2 MET 37 HE2 MET 37 13.681 -4.448 -1.139
271 HE3 MET 37 HE3 MET 37 13.630 -3.973 -2.835
272 H GLN 38 HN GLN 38 9.399 -2.438 -6.952
273 HA GLN 38 HA GLN 38 6.910 -3.786 -6.403
274 HB2 GLN 38 HB2 GLN 38 7.748 -2.235 -8.442
275 HB3 GLN 38 HB1 GLN 38 8.092 -3.818 -9.123
276 HG2 GLN 38 HG2 GLN 38 5.424 -2.876 -8.107
277 HG3 GLN 38 HG1 GLN 38 5.901 -3.003 -9.799
278 H ASP 39 HN ASP 39 7.340 -5.691 -5.388
279 HA ASP 39 HA ASP 39 8.391 -7.805 -7.068
280 HB2 ASP 39 HB2 ASP 39 10.414 -7.120 -5.911
281 HB3 ASP 39 HB1 ASP 39 9.580 -7.172 -4.359
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 16.813 -11.439 10.215
2 H2 GLY 1 HT2 GLY 1 16.585 -11.381 11.892
3 H3 GLY 1 HT3 GLY 1 17.115 -10.004 11.062
4 HA2 GLY 1 HA1 GLY 1 14.454 -11.290 10.845
5 HA3 GLY 1 HA2 GLY 1 14.811 -9.733 11.582
6 H SER 2 HN SER 2 13.579 -11.136 8.919
7 HA SER 2 HA SER 2 14.764 -9.290 6.988
8 HB2 SER 2 HB2 SER 2 12.789 -11.523 6.491
9 HB3 SER 2 HB1 SER 2 13.810 -10.709 5.301
10 HG SER 2 HG SER 2 14.379 -12.846 6.818
11 H SER 3 HN SER 3 13.053 -8.510 5.282
12 HA SER 3 HA SER 3 11.175 -6.918 6.767
13 HB2 SER 3 HB2 SER 3 11.699 -7.080 3.790
14 HB3 SER 3 HB1 SER 3 10.689 -5.869 4.584
15 HG SER 3 HG SER 3 13.486 -6.288 4.921
16 H SER 4 HN SER 4 9.803 -8.557 7.589
17 HA SER 4 HA SER 4 8.111 -9.914 5.646
18 HB2 SER 4 HB2 SER 4 8.940 -11.189 7.602
19 HB3 SER 4 HB1 SER 4 8.070 -10.090 8.669
20 HG SER 4 HG SER 4 6.187 -10.925 8.040
21 H GLY 5 HN GLY 5 7.085 -8.084 4.795
22 HA2 GLY 5 HA2 GLY 5 4.608 -7.416 5.800
23 HA3 GLY 5 HA1 GLY 5 5.712 -6.193 6.423
24 H LEU 6 HN LEU 6 5.310 -4.423 5.262
25 HA LEU 6 HA LEU 6 5.122 -4.711 2.346
26 HB2 LEU 6 HB2 LEU 6 4.109 -2.540 4.186
27 HB3 LEU 6 HB1 LEU 6 4.138 -2.379 2.440
28 HG LEU 6 HG LEU 6 1.926 -2.967 3.009
29 HD11 LEU 6 HD11 LEU 6 1.625 -5.180 1.982
30 HD12 LEU 6 HD12 LEU 6 3.364 -5.454 2.104
31 HD13 LEU 6 HD13 LEU 6 2.745 -4.158 1.079
32 HD21 LEU 6 HD21 LEU 6 3.031 -5.235 4.656
33 HD22 LEU 6 HD22 LEU 6 1.324 -4.868 4.402
34 HD23 LEU 6 HD23 LEU 6 2.349 -3.739 5.287
35 HA PRO 7 HA PRO 7 8.992 -2.735 1.558
36 HB2 PRO 7 HB2 PRO 7 8.116 -0.950 -0.407
37 HB3 PRO 7 HB1 PRO 7 8.675 -2.601 -0.675
38 HG2 PRO 7 HG2 PRO 7 5.896 -1.556 -0.453
39 HG3 PRO 7 HG1 PRO 7 6.537 -2.843 -1.490
40 HD2 PRO 7 HD2 PRO 7 5.104 -3.414 0.689
41 HD3 PRO 7 HD1 PRO 7 6.499 -4.408 0.220
42 HA PRO 8 HA PRO 8 9.490 0.883 3.936
43 HB2 PRO 8 HB2 PRO 8 11.102 2.020 1.704
44 HB3 PRO 8 HB1 PRO 8 11.530 1.797 3.404
45 HG2 PRO 8 HG2 PRO 8 12.514 0.175 1.549
46 HG3 PRO 8 HG1 PRO 8 12.000 -0.457 3.125
47 HD2 PRO 8 HD2 PRO 8 10.615 -0.608 0.481
48 HD3 PRO 8 HD1 PRO 8 10.719 -1.823 1.772
49 H GLY 9 HN GLY 9 7.611 2.020 4.091
50 HA2 GLY 9 HA2 GLY 9 6.797 4.265 3.903
51 HA3 GLY 9 HA1 GLY 9 7.384 4.302 2.246
52 H TRP 10 HN TRP 10 5.805 1.404 3.150
53 HA TRP 10 HA TRP 10 3.272 2.356 2.002
54 HB2 TRP 10 HB2 TRP 10 4.815 -0.087 1.100
55 HB3 TRP 10 HB1 TRP 10 3.160 0.280 0.617
56 HD1 TRP 10 HD1 TRP 10 6.768 1.429 0.065
57 HE1 TRP 10 HE1 TRP 10 6.846 2.961 -2.005
58 HE3 TRP 10 HE3 TRP 10 1.752 1.864 -0.792
59 HZ2 TRP 10 HZ2 TRP 10 5.006 4.173 -3.770
60 HZ3 TRP 10 HZ3 TRP 10 0.987 3.217 -2.695
61 HH2 TRP 10 HH2 TRP 10 2.589 4.355 -4.157
62 H GLU 11 HN GLU 11 1.430 1.074 2.518
63 HA GLU 11 HA GLU 11 1.758 -0.974 4.583
64 HB2 GLU 11 HB2 GLU 11 1.489 1.515 5.458
65 HB3 GLU 11 HB1 GLU 11 -0.201 1.220 5.099
66 HG2 GLU 11 HG2 GLU 11 -0.065 0.652 7.319
67 HG3 GLU 11 HG1 GLU 11 0.132 -0.914 6.533
68 H GLU 12 HN GLU 12 0.496 -2.633 3.835
69 HA GLU 12 HA GLU 12 -1.659 -2.020 1.988
70 HB2 GLU 12 HB2 GLU 12 -0.021 -3.901 1.620
71 HB3 GLU 12 HB1 GLU 12 -0.792 -4.737 2.960
72 HG2 GLU 12 HG2 GLU 12 -2.952 -4.566 1.701
73 HG3 GLU 12 HG1 GLU 12 -2.024 -3.975 0.325
74 H LYS 13 HN LYS 13 -3.570 -1.469 2.826
75 HA LYS 13 HA LYS 13 -4.697 -3.172 4.936
76 HB2 LYS 13 HB2 LYS 13 -4.400 -0.212 4.988
77 HB3 LYS 13 HB1 LYS 13 -5.918 -0.872 5.573
78 HG2 LYS 13 HG2 LYS 13 -4.594 -0.687 7.482
79 HG3 LYS 13 HG1 LYS 13 -4.512 -2.395 7.049
80 HD2 LYS 13 HD2 LYS 13 -2.364 -1.861 5.836
81 HD3 LYS 13 HD1 LYS 13 -2.427 -0.266 6.590
82 HE2 LYS 13 HE2 LYS 13 -2.305 -2.918 8.018
83 HE3 LYS 13 HE1 LYS 13 -0.994 -1.756 7.864
84 HZ1 LYS 13 HZ1 LYS 13 -1.996 -1.542 10.014
85 HZ2 LYS 13 HZ2 LYS 13 -3.544 -1.356 9.339
86 HZ3 LYS 13 HZ3 LYS 13 -2.373 -0.153 9.108
87 H GLN 14 HN GLN 14 -6.994 -3.346 4.898
88 HA GLN 14 HA GLN 14 -8.080 -2.749 2.228
89 HB2 GLN 14 HB2 GLN 14 -9.311 -4.782 2.310
90 HB3 GLN 14 HB1 GLN 14 -7.673 -5.166 2.800
91 HG2 GLN 14 HG2 GLN 14 -9.979 -4.764 4.691
92 HG3 GLN 14 HG1 GLN 14 -9.388 -6.323 4.129
93 HE21 GLN 14 HE21 GLN 14 -8.764 -3.577 6.176
94 HE22 GLN 14 HE22 GLN 14 -7.472 -4.299 7.088
95 H ASP 15 HN ASP 15 -10.292 -2.207 2.040
96 HA ASP 15 HA ASP 15 -11.443 -0.759 4.248
97 HB2 ASP 15 HB2 ASP 15 -12.645 -1.563 1.587
98 HB3 ASP 15 HB1 ASP 15 -13.417 -0.496 2.748
99 H ASP 16 HN ASP 16 -13.836 -1.237 4.785
100 HA ASP 16 HA ASP 16 -14.188 -3.900 5.725
101 HB2 ASP 16 HB2 ASP 16 -16.296 -1.774 5.273
102 HB3 ASP 16 HB1 ASP 16 -16.463 -3.202 6.289
103 H ARG 17 HN ARG 17 -14.402 -2.509 2.717
104 HA ARG 17 HA ARG 17 -16.601 -4.040 1.653
105 HB2 ARG 17 HB2 ARG 17 -14.574 -2.460 0.072
106 HB3 ARG 17 HB1 ARG 17 -16.242 -2.823 -0.352
107 HG2 ARG 17 HG2 ARG 17 -17.067 -1.323 1.318
108 HG3 ARG 17 HG1 ARG 17 -15.443 -1.067 1.959
109 HD2 ARG 17 HD2 ARG 17 -15.841 0.830 0.671
110 HD3 ARG 17 HD1 ARG 17 -14.874 -0.195 -0.386
111 HE ARG 17 HE ARG 17 -17.705 -0.533 -0.739
112 HH11 ARG 17 HH11 ARG 17 -14.864 1.277 -1.707
113 HH12 ARG 17 HH12 ARG 17 -15.628 1.963 -3.111
114 HH21 ARG 17 HH21 ARG 17 -18.692 0.333 -2.617
115 HH22 ARG 17 HH22 ARG 17 -17.778 1.394 -3.648
116 H GLY 18 HN GLY 18 -13.401 -4.665 2.368
117 HA2 GLY 18 HA2 GLY 18 -12.388 -6.771 2.068
118 HA3 GLY 18 HA1 GLY 18 -13.458 -7.068 0.706
119 H ARG 19 HN ARG 19 -12.445 -4.065 0.108
120 HA ARG 19 HA ARG 19 -10.508 -4.967 -1.828
121 HB2 ARG 19 HB2 ARG 19 -11.638 -2.242 -1.225
122 HB3 ARG 19 HB1 ARG 19 -10.524 -2.578 -2.538
123 HG2 ARG 19 HG2 ARG 19 -13.154 -4.002 -2.246
124 HG3 ARG 19 HG1 ARG 19 -12.969 -2.485 -3.125
125 HD2 ARG 19 HD2 ARG 19 -11.265 -3.533 -4.536
126 HD3 ARG 19 HD1 ARG 19 -11.522 -5.059 -3.695
127 HE ARG 19 HE ARG 19 -13.908 -4.843 -4.537
128 HH11 ARG 19 HH11 ARG 19 -11.128 -3.622 -6.280
129 HH12 ARG 19 HH12 ARG 19 -11.902 -3.701 -7.834
130 HH21 ARG 19 HH21 ARG 19 -14.926 -4.951 -6.586
131 HH22 ARG 19 HH22 ARG 19 -14.047 -4.465 -8.007
132 H SER 20 HN SER 20 -8.415 -5.228 -1.263
133 HA SER 20 HA SER 20 -7.319 -3.723 0.971
134 HB2 SER 20 HB2 SER 20 -6.853 -6.168 0.662
135 HB3 SER 20 HB1 SER 20 -5.947 -5.769 -0.793
136 HG SER 20 HG SER 20 -4.452 -5.850 0.800
137 H TYR 21 HN TYR 21 -6.513 -1.781 0.645
138 HA TYR 21 HA TYR 21 -5.353 -1.117 -1.970
139 HB2 TYR 21 HB2 TYR 21 -5.670 1.276 -1.171
140 HB3 TYR 21 HB1 TYR 21 -7.148 0.373 -1.486
141 HD1 TYR 21 HD2 TYR 21 -4.898 1.515 1.248
142 HD2 TYR 21 HD1 TYR 21 -8.764 0.090 0.205
143 HE1 TYR 21 HE2 TYR 21 -5.687 2.014 3.525
144 HE2 TYR 21 HE1 TYR 21 -9.563 0.584 2.477
145 HH TYR 21 HH TYR 21 -8.698 0.902 4.716
146 H TYR 22 HN TYR 22 -3.704 0.854 -1.568
147 HA TYR 22 HA TYR 22 -1.825 -0.130 0.456
148 HB2 TYR 22 HB2 TYR 22 -1.065 1.083 -2.205
149 HB3 TYR 22 HB1 TYR 22 0.005 0.295 -1.045
150 HD1 TYR 22 HD2 TYR 22 -0.947 -2.205 -0.402
151 HD2 TYR 22 HD1 TYR 22 -1.518 -0.154 -4.082
152 HE1 TYR 22 HE2 TYR 22 -1.279 -4.358 -1.547
153 HE2 TYR 22 HE1 TYR 22 -1.844 -2.299 -5.243
154 HH TYR 22 HH TYR 22 -1.227 -4.684 -4.918
155 H VAL 23 HN VAL 23 -1.301 1.291 1.947
156 HA VAL 23 HA VAL 23 -2.010 4.090 1.525
157 HB VAL 23 HB VAL 23 -1.110 2.702 4.043
158 HG11 VAL 23 HG11 VAL 23 -0.630 5.090 4.059
159 HG12 VAL 23 HG12 VAL 23 -1.915 4.698 5.201
160 HG13 VAL 23 HG13 VAL 23 -2.309 5.437 3.646
161 HG21 VAL 23 HG21 VAL 23 -3.260 1.850 3.261
162 HG22 VAL 23 HG22 VAL 23 -3.886 3.497 3.184
163 HG23 VAL 23 HG23 VAL 23 -3.446 2.792 4.741
164 H ASP 24 HN ASP 24 -0.506 5.143 0.523
165 HA ASP 24 HA ASP 24 2.277 4.528 0.675
166 HB2 ASP 24 HB2 ASP 24 1.436 5.311 -1.412
167 HB3 ASP 24 HB1 ASP 24 0.660 6.699 -0.651
168 H HIS 25 HN HIS 25 3.312 4.956 2.496
169 HA HIS 25 HA HIS 25 2.801 7.344 4.059
170 HB2 HIS 25 HB2 HIS 25 4.902 5.181 4.347
171 HB3 HIS 25 HB1 HIS 25 4.684 6.513 5.471
172 HD1 HIS 25 HD1 HIS 25 2.116 6.567 6.538
173 HD2 HIS 25 HD2 HIS 25 3.584 2.943 5.112
174 HE1 HIS 25 HE1 HIS 25 0.752 4.784 7.669
175 HE2 HIS 25 HE2 HIS 25 1.881 2.623 7.025
176 H ASN 26 HN ASN 26 4.659 6.449 1.393
177 HA ASN 26 HA ASN 26 7.021 7.920 1.819
178 HB2 ASN 26 HB2 ASN 26 7.486 6.543 0.111
179 HB3 ASN 26 HB1 ASN 26 5.793 6.386 -0.340
180 HD21 ASN 26 HD21 ASN 26 5.005 7.556 -2.002
181 HD22 ASN 26 HD22 ASN 26 5.975 8.585 -3.009
182 H SER 27 HN SER 27 4.090 8.758 -0.035
183 HA SER 27 HA SER 27 4.944 11.576 0.111
184 HB2 SER 27 HB2 SER 27 4.831 10.612 -2.205
185 HB3 SER 27 HB1 SER 27 3.111 10.336 -1.957
186 HG SER 27 HG SER 27 3.042 12.681 -1.469
187 H LYS 28 HN LYS 28 2.862 9.326 1.307
188 HA LYS 28 HA LYS 28 1.238 9.506 2.879
189 HB2 LYS 28 HB2 LYS 28 1.445 12.486 2.441
190 HB3 LYS 28 HB1 LYS 28 0.543 11.702 3.731
191 HG2 LYS 28 HG2 LYS 28 2.528 10.919 4.768
192 HG3 LYS 28 HG1 LYS 28 3.509 11.358 3.368
193 HD2 LYS 28 HD2 LYS 28 2.044 13.279 5.174
194 HD3 LYS 28 HD1 LYS 28 3.784 12.978 5.181
195 HE2 LYS 28 HE2 LYS 28 3.986 13.843 2.937
196 HE3 LYS 28 HE1 LYS 28 2.237 14.005 2.808
197 HZ1 LYS 28 HZ1 LYS 28 2.385 15.591 4.703
198 HZ2 LYS 28 HZ2 LYS 28 3.109 16.130 3.271
199 HZ3 LYS 28 HZ3 LYS 28 4.075 15.557 4.540
200 H THR 29 HN THR 29 0.023 8.421 1.179
201 HA THR 29 HA THR 29 -2.492 9.755 0.871
202 HB THR 29 HB THR 29 -1.385 10.639 -1.126
203 HG1 THR 29 HG1 THR 29 -2.979 9.969 -2.599
204 HG21 THR 29 HG21 THR 29 -0.676 9.137 -2.942
205 HG22 THR 29 HG22 THR 29 -0.991 7.746 -1.908
206 HG23 THR 29 HG23 THR 29 0.284 8.888 -1.480
207 H THR 30 HN THR 30 -4.202 8.300 0.329
208 HA THR 30 HA THR 30 -3.453 5.473 0.672
209 HB THR 30 HB THR 30 -6.044 6.881 1.343
210 HG1 THR 30 HG1 THR 30 -3.841 5.975 2.884
211 HG21 THR 30 HG21 THR 30 -6.678 4.765 2.432
212 HG22 THR 30 HG22 THR 30 -5.213 4.012 1.803
213 HG23 THR 30 HG23 THR 30 -6.466 4.569 0.693
214 H THR 31 HN THR 31 -3.358 4.570 -1.349
215 HA THR 31 HA THR 31 -5.749 4.574 -2.965
216 HB THR 31 HB THR 31 -4.728 6.768 -3.557
217 HG1 THR 31 HG1 THR 31 -5.999 5.877 -5.144
218 HG21 THR 31 HG21 THR 31 -2.484 5.057 -4.639
219 HG22 THR 31 HG22 THR 31 -2.377 6.230 -3.323
220 HG23 THR 31 HG23 THR 31 -2.701 6.775 -4.970
221 H TRP 32 HN TRP 32 -5.051 3.548 -5.294
222 HA TRP 32 HA TRP 32 -3.439 1.209 -4.607
223 HB2 TRP 32 HB2 TRP 32 -5.529 1.730 -6.677
224 HB3 TRP 32 HB1 TRP 32 -4.321 0.487 -6.987
225 HD1 TRP 32 HD1 TRP 32 -4.452 -1.744 -5.556
226 HE1 TRP 32 HE1 TRP 32 -6.311 -2.760 -4.093
227 HE3 TRP 32 HE3 TRP 32 -7.406 2.390 -5.022
228 HZ2 TRP 32 HZ2 TRP 32 -8.723 -1.915 -2.882
229 HZ3 TRP 32 HZ3 TRP 32 -9.475 2.201 -3.696
230 HH2 TRP 32 HH2 TRP 32 -10.113 0.096 -2.651
231 H SER 33 HN SER 33 -1.354 1.857 -4.831
232 HA SER 33 HA SER 33 -0.498 2.417 -7.575
233 HB2 SER 33 HB2 SER 33 0.476 3.859 -5.095
234 HB3 SER 33 HB1 SER 33 1.247 3.969 -6.679
235 HG SER 33 HG SER 33 -1.423 4.412 -6.846
236 H LYS 34 HN LYS 34 1.582 1.577 -8.135
237 HA LYS 34 HA LYS 34 2.416 -0.759 -6.803
238 HB2 LYS 34 HB2 LYS 34 3.084 0.328 -9.195
239 HB3 LYS 34 HB1 LYS 34 4.495 0.770 -8.242
240 HG2 LYS 34 HG2 LYS 34 4.399 -1.777 -7.558
241 HG3 LYS 34 HG1 LYS 34 3.568 -1.902 -9.107
242 HD2 LYS 34 HD2 LYS 34 6.321 -0.770 -8.619
243 HD3 LYS 34 HD1 LYS 34 5.927 -2.293 -9.415
244 HE2 LYS 34 HE2 LYS 34 4.767 -1.047 -11.188
245 HE3 LYS 34 HE1 LYS 34 5.220 0.466 -10.404
246 HZ1 LYS 34 HZ1 LYS 34 6.990 -1.522 -11.707
247 HZ2 LYS 34 HZ2 LYS 34 7.591 -0.348 -10.654
248 HZ3 LYS 34 HZ3 LYS 34 6.811 0.122 -12.077
249 HA PRO 35 HA PRO 35 4.698 0.966 -3.376
250 HB2 PRO 35 HB2 PRO 35 6.049 -1.272 -2.699
251 HB3 PRO 35 HB1 PRO 35 4.323 -1.074 -2.372
252 HG2 PRO 35 HG2 PRO 35 5.661 -2.518 -4.634
253 HG3 PRO 35 HG1 PRO 35 4.306 -3.038 -3.624
254 HD2 PRO 35 HD2 PRO 35 3.944 -2.020 -6.081
255 HD3 PRO 35 HD1 PRO 35 2.781 -1.759 -4.764
256 H THR 36 HN THR 36 6.986 1.227 -2.697
257 HA THR 36 HA THR 36 8.693 1.840 -4.881
258 HB THR 36 HB THR 36 9.535 1.629 -1.986
259 HG1 THR 36 HG1 THR 36 8.978 4.115 -2.498
260 HG21 THR 36 HG21 THR 36 11.346 1.951 -3.610
261 HG22 THR 36 HG22 THR 36 11.113 3.395 -2.624
262 HG23 THR 36 HG23 THR 36 10.502 3.348 -4.276
263 H MET 37 HN MET 37 8.767 -0.151 -5.947
264 HA MET 37 HA MET 37 11.125 -1.635 -5.446
265 HB2 MET 37 HB2 MET 37 9.776 -2.807 -3.798
266 HB3 MET 37 HB1 MET 37 8.478 -3.027 -4.966
267 HG2 MET 37 HG2 MET 37 9.966 -4.447 -6.319
268 HG3 MET 37 HG1 MET 37 11.221 -4.264 -5.096
269 HE1 MET 37 HE1 MET 37 7.353 -4.619 -4.493
270 HE2 MET 37 HE2 MET 37 7.186 -6.366 -4.289
271 HE3 MET 37 HE3 MET 37 7.625 -5.701 -5.861
272 H GLN 38 HN GLN 38 11.849 -1.838 -7.478
273 HA GLN 38 HA GLN 38 9.995 -1.759 -9.680
274 HB2 GLN 38 HB2 GLN 38 12.253 -0.618 -9.690
275 HB3 GLN 38 HB1 GLN 38 12.976 -2.219 -9.821
276 HG2 GLN 38 HG2 GLN 38 12.779 -1.095 -11.991
277 HG3 GLN 38 HG1 GLN 38 11.853 -2.595 -11.925
278 H ASP 39 HN ASP 39 9.335 -3.414 -10.918
279 HA ASP 39 HA ASP 39 10.358 -6.092 -10.239
280 HB2 ASP 39 HB2 ASP 39 8.038 -5.705 -9.423
281 HB3 ASP 39 HB1 ASP 39 7.539 -5.388 -11.081
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 13.782 -15.641 4.625
2 H2 GLY 1 HT2 GLY 1 13.314 -16.744 3.430
3 H3 GLY 1 HT3 GLY 1 12.148 -16.064 4.452
4 HA2 GLY 1 HA1 GLY 1 13.748 -14.653 2.384
5 HA3 GLY 1 HA2 GLY 1 12.022 -14.991 2.323
6 H SER 2 HN SER 2 13.389 -12.415 2.176
7 HA SER 2 HA SER 2 12.854 -11.134 4.733
8 HB2 SER 2 HB2 SER 2 13.785 -9.898 2.129
9 HB3 SER 2 HB1 SER 2 13.843 -9.157 3.728
10 HG SER 2 HG SER 2 15.820 -9.956 3.597
11 H SER 3 HN SER 3 10.924 -10.346 5.221
12 HA SER 3 HA SER 3 9.373 -8.954 3.188
13 HB2 SER 3 HB2 SER 3 7.274 -10.151 4.007
14 HB3 SER 3 HB1 SER 3 8.368 -11.101 3.000
15 HG SER 3 HG SER 3 7.567 -12.135 4.978
16 H SER 4 HN SER 4 8.842 -10.136 6.518
17 HA SER 4 HA SER 4 8.457 -9.079 8.487
18 HB2 SER 4 HB2 SER 4 9.380 -6.550 7.099
19 HB3 SER 4 HB1 SER 4 9.203 -6.775 8.838
20 HG SER 4 HG SER 4 11.262 -7.449 7.221
21 H GLY 5 HN GLY 5 7.551 -6.645 6.043
22 HA2 GLY 5 HA2 GLY 5 4.737 -6.961 6.762
23 HA3 GLY 5 HA1 GLY 5 5.463 -5.394 7.085
24 H LEU 6 HN LEU 6 5.018 -3.982 5.597
25 HA LEU 6 HA LEU 6 4.777 -4.877 2.807
26 HB2 LEU 6 HB2 LEU 6 3.790 -2.379 4.191
27 HB3 LEU 6 HB1 LEU 6 3.769 -2.576 2.454
28 HG LEU 6 HG LEU 6 1.579 -3.036 3.212
29 HD11 LEU 6 HD11 LEU 6 1.216 -5.314 2.504
30 HD12 LEU 6 HD12 LEU 6 2.920 -5.692 2.747
31 HD13 LEU 6 HD13 LEU 6 2.442 -4.552 1.490
32 HD21 LEU 6 HD21 LEU 6 1.044 -4.716 4.905
33 HD22 LEU 6 HD22 LEU 6 2.031 -3.416 5.570
34 HD23 LEU 6 HD23 LEU 6 2.766 -4.976 5.196
35 HA PRO 7 HA PRO 7 8.509 -3.036 1.364
36 HB2 PRO 7 HB2 PRO 7 7.512 -1.184 -0.498
37 HB3 PRO 7 HB1 PRO 7 7.939 -2.868 -0.822
38 HG2 PRO 7 HG2 PRO 7 5.273 -1.662 -0.228
39 HG3 PRO 7 HG1 PRO 7 5.683 -2.963 -1.361
40 HD2 PRO 7 HD2 PRO 7 4.524 -3.513 0.967
41 HD3 PRO 7 HD1 PRO 7 5.832 -4.553 0.353
42 HA PRO 8 HA PRO 8 9.637 0.561 3.619
43 HB2 PRO 8 HB2 PRO 8 10.878 1.434 1.038
44 HB3 PRO 8 HB1 PRO 8 11.571 1.407 2.664
45 HG2 PRO 8 HG2 PRO 8 12.202 -0.481 0.911
46 HG3 PRO 8 HG1 PRO 8 11.934 -0.886 2.616
47 HD2 PRO 8 HD2 PRO 8 10.195 -1.376 0.257
48 HD3 PRO 8 HD1 PRO 8 10.383 -2.330 1.740
49 H GLY 9 HN GLY 9 7.980 1.878 4.080
50 HA2 GLY 9 HA2 GLY 9 7.024 4.003 3.957
51 HA3 GLY 9 HA1 GLY 9 7.567 4.127 2.291
52 H TRP 10 HN TRP 10 5.971 1.191 2.912
53 HA TRP 10 HA TRP 10 3.425 2.338 1.991
54 HB2 TRP 10 HB2 TRP 10 4.778 -0.165 0.961
55 HB3 TRP 10 HB1 TRP 10 3.127 0.309 0.568
56 HD1 TRP 10 HD1 TRP 10 6.755 1.364 -0.052
57 HE1 TRP 10 HE1 TRP 10 6.818 2.915 -2.095
58 HE3 TRP 10 HE3 TRP 10 1.740 1.872 -0.839
59 HZ2 TRP 10 HZ2 TRP 10 4.986 4.184 -3.827
60 HZ3 TRP 10 HZ3 TRP 10 0.975 3.268 -2.711
61 HH2 TRP 10 HH2 TRP 10 2.567 4.401 -4.176
62 H GLU 11 HN GLU 11 1.544 1.108 2.548
63 HA GLU 11 HA GLU 11 1.855 -1.134 4.352
64 HB2 GLU 11 HB2 GLU 11 2.025 1.211 5.581
65 HB3 GLU 11 HB1 GLU 11 0.275 1.138 5.457
66 HG2 GLU 11 HG2 GLU 11 0.190 -0.878 6.725
67 HG3 GLU 11 HG1 GLU 11 1.950 -1.033 6.685
68 H GLU 12 HN GLU 12 0.234 -2.525 3.980
69 HA GLU 12 HA GLU 12 -1.829 -1.679 2.115
70 HB2 GLU 12 HB2 GLU 12 -0.454 -3.717 1.709
71 HB3 GLU 12 HB1 GLU 12 -1.180 -4.453 3.128
72 HG2 GLU 12 HG2 GLU 12 -3.382 -4.310 2.075
73 HG3 GLU 12 HG1 GLU 12 -2.641 -3.594 0.643
74 H LYS 13 HN LYS 13 -3.764 -1.102 2.758
75 HA LYS 13 HA LYS 13 -4.972 -2.468 5.067
76 HB2 LYS 13 HB2 LYS 13 -4.996 0.466 4.412
77 HB3 LYS 13 HB1 LYS 13 -6.340 -0.253 5.284
78 HG2 LYS 13 HG2 LYS 13 -4.930 0.631 6.929
79 HG3 LYS 13 HG1 LYS 13 -4.621 -1.106 6.944
80 HD2 LYS 13 HD2 LYS 13 -2.657 -0.673 5.452
81 HD3 LYS 13 HD1 LYS 13 -2.927 1.051 5.702
82 HE2 LYS 13 HE2 LYS 13 -2.317 -0.989 7.831
83 HE3 LYS 13 HE1 LYS 13 -1.212 0.235 7.208
84 HZ1 LYS 13 HZ1 LYS 13 -2.869 1.920 8.015
85 HZ2 LYS 13 HZ2 LYS 13 -2.067 1.061 9.225
86 HZ3 LYS 13 HZ3 LYS 13 -3.663 0.659 8.826
87 H GLN 14 HN GLN 14 -7.024 -3.179 4.764
88 HA GLN 14 HA GLN 14 -7.976 -3.002 2.000
89 HB2 GLN 14 HB2 GLN 14 -9.141 -5.052 2.359
90 HB3 GLN 14 HB1 GLN 14 -7.523 -5.261 3.005
91 HG2 GLN 14 HG2 GLN 14 -9.971 -4.653 4.657
92 HG3 GLN 14 HG1 GLN 14 -9.295 -6.259 4.408
93 HE21 GLN 14 HE21 GLN 14 -8.894 -3.181 5.958
94 HE22 GLN 14 HE22 GLN 14 -7.634 -3.665 7.053
95 H ASP 15 HN ASP 15 -10.157 -2.621 1.540
96 HA ASP 15 HA ASP 15 -11.582 -0.834 3.219
97 HB2 ASP 15 HB2 ASP 15 -12.574 -2.526 0.902
98 HB3 ASP 15 HB1 ASP 15 -13.502 -1.251 1.674
99 H ASP 16 HN ASP 16 -13.874 -1.354 3.963
100 HA ASP 16 HA ASP 16 -13.903 -3.578 5.715
101 HB2 ASP 16 HB2 ASP 16 -15.272 -1.561 6.108
102 HB3 ASP 16 HB1 ASP 16 -16.233 -1.935 4.681
103 H ARG 17 HN ARG 17 -14.620 -3.189 2.408
104 HA ARG 17 HA ARG 17 -16.343 -5.506 2.241
105 HB2 ARG 17 HB2 ARG 17 -16.631 -4.891 -0.085
106 HB3 ARG 17 HB1 ARG 17 -16.832 -3.477 0.935
107 HG2 ARG 17 HG2 ARG 17 -14.446 -2.895 0.420
108 HG3 ARG 17 HG1 ARG 17 -14.477 -4.182 -0.780
109 HD2 ARG 17 HD2 ARG 17 -16.155 -1.682 -0.713
110 HD3 ARG 17 HD1 ARG 17 -14.930 -2.123 -1.903
111 HE ARG 17 HE ARG 17 -17.176 -3.952 -1.703
112 HH11 ARG 17 HH11 ARG 17 -15.813 -1.153 -3.291
113 HH12 ARG 17 HH12 ARG 17 -16.866 -1.248 -4.670
114 HH21 ARG 17 HH21 ARG 17 -18.568 -4.104 -3.545
115 HH22 ARG 17 HH22 ARG 17 -18.409 -2.947 -4.829
116 H GLY 18 HN GLY 18 -13.097 -5.218 2.528
117 HA2 GLY 18 HA2 GLY 18 -11.937 -7.340 2.575
118 HA3 GLY 18 HA1 GLY 18 -12.806 -7.796 1.122
119 H ARG 19 HN ARG 19 -12.349 -5.554 -0.488
120 HA ARG 19 HA ARG 19 -9.897 -6.241 -1.621
121 HB2 ARG 19 HB2 ARG 19 -11.703 -3.889 -1.996
122 HB3 ARG 19 HB1 ARG 19 -10.146 -3.941 -2.799
123 HG2 ARG 19 HG2 ARG 19 -12.277 -6.047 -3.064
124 HG3 ARG 19 HG1 ARG 19 -12.011 -4.727 -4.206
125 HD2 ARG 19 HD2 ARG 19 -10.825 -6.450 -5.177
126 HD3 ARG 19 HD1 ARG 19 -9.587 -5.602 -4.255
127 HE ARG 19 HE ARG 19 -10.832 -7.781 -2.826
128 HH11 ARG 19 HH11 ARG 19 -8.184 -6.830 -4.924
129 HH12 ARG 19 HH12 ARG 19 -7.262 -8.272 -4.605
130 HH21 ARG 19 HH21 ARG 19 -9.596 -9.647 -2.379
131 HH22 ARG 19 HH22 ARG 19 -8.044 -9.850 -3.148
132 H SER 20 HN SER 20 -7.862 -5.601 -1.374
133 HA SER 20 HA SER 20 -7.327 -3.783 0.847
134 HB2 SER 20 HB2 SER 20 -5.430 -5.678 -0.550
135 HB3 SER 20 HB1 SER 20 -5.165 -4.855 0.987
136 HG SER 20 HG SER 20 -7.463 -6.214 1.123
137 H TYR 21 HN TYR 21 -6.584 -1.813 0.510
138 HA TYR 21 HA TYR 21 -5.231 -1.210 -2.035
139 HB2 TYR 21 HB2 TYR 21 -5.858 1.174 -1.579
140 HB3 TYR 21 HB1 TYR 21 -7.242 0.117 -1.819
141 HD1 TYR 21 HD2 TYR 21 -5.322 2.027 0.680
142 HD2 TYR 21 HD1 TYR 21 -8.828 -0.263 -0.067
143 HE1 TYR 21 HE2 TYR 21 -6.273 2.797 2.811
144 HE2 TYR 21 HE1 TYR 21 -9.793 0.508 2.057
145 HH TYR 21 HH TYR 21 -9.077 1.392 4.183
146 H TYR 22 HN TYR 22 -3.866 1.038 -1.441
147 HA TYR 22 HA TYR 22 -2.142 0.182 0.777
148 HB2 TYR 22 HB2 TYR 22 -1.230 1.321 -1.872
149 HB3 TYR 22 HB1 TYR 22 -0.178 0.891 -0.523
150 HD1 TYR 22 HD2 TYR 22 -0.246 -1.562 0.264
151 HD2 TYR 22 HD1 TYR 22 -1.718 -0.242 -3.496
152 HE1 TYR 22 HE2 TYR 22 -0.051 -3.852 -0.608
153 HE2 TYR 22 HE1 TYR 22 -1.526 -2.522 -4.385
154 HH TYR 22 HH TYR 22 -0.126 -4.583 -3.854
155 H VAL 23 HN VAL 23 -1.687 1.648 2.253
156 HA VAL 23 HA VAL 23 -2.149 4.459 1.615
157 HB VAL 23 HB VAL 23 -1.944 4.963 3.961
158 HG11 VAL 23 HG11 VAL 23 -3.718 2.578 3.499
159 HG12 VAL 23 HG12 VAL 23 -4.126 4.269 3.224
160 HG13 VAL 23 HG13 VAL 23 -3.849 3.688 4.865
161 HG21 VAL 23 HG21 VAL 23 -1.285 2.051 4.375
162 HG22 VAL 23 HG22 VAL 23 -1.618 3.208 5.662
163 HG23 VAL 23 HG23 VAL 23 -0.206 3.425 4.627
164 H ASP 24 HN ASP 24 -0.548 5.729 1.155
165 HA ASP 24 HA ASP 24 2.106 4.551 1.011
166 HB2 ASP 24 HB2 ASP 24 1.630 5.287 -1.090
167 HB3 ASP 24 HB1 ASP 24 0.570 6.569 -0.522
168 H HIS 25 HN HIS 25 3.455 4.971 2.577
169 HA HIS 25 HA HIS 25 3.232 7.382 4.174
170 HB2 HIS 25 HB2 HIS 25 5.246 5.122 4.296
171 HB3 HIS 25 HB1 HIS 25 5.160 6.455 5.436
172 HD1 HIS 25 HD1 HIS 25 2.593 6.587 6.624
173 HD2 HIS 25 HD2 HIS 25 3.982 2.936 5.196
174 HE1 HIS 25 HE1 HIS 25 1.291 4.835 7.861
175 HE2 HIS 25 HE2 HIS 25 2.335 2.644 7.173
176 H ASN 26 HN ASN 26 4.704 6.441 1.314
177 HA ASN 26 HA ASN 26 7.189 7.821 1.565
178 HB2 ASN 26 HB2 ASN 26 7.398 6.160 -0.001
179 HB3 ASN 26 HB1 ASN 26 5.745 6.352 -0.577
180 HD21 ASN 26 HD21 ASN 26 5.332 7.652 -2.279
181 HD22 ASN 26 HD22 ASN 26 6.559 8.443 -3.212
182 H SER 27 HN SER 27 4.136 8.567 -0.135
183 HA SER 27 HA SER 27 5.098 11.345 -0.381
184 HB2 SER 27 HB2 SER 27 4.550 10.150 -2.517
185 HB3 SER 27 HB1 SER 27 2.885 10.007 -1.960
186 HG SER 27 HG SER 27 2.976 12.388 -1.761
187 H LYS 28 HN LYS 28 3.176 9.435 1.471
188 HA LYS 28 HA LYS 28 1.826 9.907 3.225
189 HB2 LYS 28 HB2 LYS 28 2.623 12.685 2.453
190 HB3 LYS 28 HB1 LYS 28 1.322 12.461 3.609
191 HG2 LYS 28 HG2 LYS 28 3.339 12.791 4.823
192 HG3 LYS 28 HG1 LYS 28 2.864 11.102 5.005
193 HD2 LYS 28 HD2 LYS 28 5.248 11.238 4.647
194 HD3 LYS 28 HD1 LYS 28 4.487 10.496 3.239
195 HE2 LYS 28 HE2 LYS 28 4.624 12.586 2.031
196 HE3 LYS 28 HE1 LYS 28 5.277 13.396 3.453
197 HZ1 LYS 28 HZ1 LYS 28 7.201 11.916 3.336
198 HZ2 LYS 28 HZ2 LYS 28 7.034 12.846 1.928
199 HZ3 LYS 28 HZ3 LYS 28 6.581 11.214 1.925
200 H THR 29 HN THR 29 0.630 9.112 0.894
201 HA THR 29 HA THR 29 -1.981 10.413 1.211
202 HB THR 29 HB THR 29 -0.975 11.357 -0.842
203 HG1 THR 29 HG1 THR 29 -3.114 11.304 -1.126
204 HG21 THR 29 HG21 THR 29 -0.643 9.919 -2.809
205 HG22 THR 29 HG22 THR 29 -0.939 8.499 -1.805
206 HG23 THR 29 HG23 THR 29 0.466 9.520 -1.498
207 H THR 30 HN THR 30 -3.748 8.986 0.164
208 HA THR 30 HA THR 30 -2.981 6.153 0.420
209 HB THR 30 HB THR 30 -4.360 6.718 2.321
210 HG1 THR 30 HG1 THR 30 -4.777 4.698 1.046
211 HG21 THR 30 HG21 THR 30 -6.393 7.719 0.326
212 HG22 THR 30 HG22 THR 30 -5.485 8.695 1.480
213 HG23 THR 30 HG23 THR 30 -6.672 7.529 2.057
214 H THR 31 HN THR 31 -3.122 5.119 -1.453
215 HA THR 31 HA THR 31 -5.318 5.579 -3.256
216 HB THR 31 HB THR 31 -3.777 7.471 -3.778
217 HG1 THR 31 HG1 THR 31 -4.625 7.226 -5.684
218 HG21 THR 31 HG21 THR 31 -1.661 7.028 -4.911
219 HG22 THR 31 HG22 THR 31 -1.884 5.293 -4.685
220 HG23 THR 31 HG23 THR 31 -1.650 6.342 -3.286
221 H TRP 32 HN TRP 32 -4.931 4.250 -5.342
222 HA TRP 32 HA TRP 32 -3.722 1.698 -4.592
223 HB2 TRP 32 HB2 TRP 32 -5.248 2.394 -7.120
224 HB3 TRP 32 HB1 TRP 32 -4.848 0.782 -6.539
225 HD1 TRP 32 HD1 TRP 32 -7.072 3.789 -5.557
226 HE1 TRP 32 HE1 TRP 32 -9.130 2.905 -4.286
227 HE3 TRP 32 HE3 TRP 32 -5.800 -1.163 -5.317
228 HZ2 TRP 32 HZ2 TRP 32 -10.085 0.434 -3.324
229 HZ3 TRP 32 HZ3 TRP 32 -7.357 -2.721 -4.203
230 HH2 TRP 32 HH2 TRP 32 -9.446 -1.936 -3.230
231 H SER 33 HN SER 33 -1.548 1.991 -4.773
232 HA SER 33 HA SER 33 -0.527 2.611 -7.445
233 HB2 SER 33 HB2 SER 33 -0.338 4.639 -6.032
234 HB3 SER 33 HB1 SER 33 0.631 3.722 -4.881
235 HG SER 33 HG SER 33 2.301 3.839 -6.177
236 H LYS 34 HN LYS 34 1.487 1.675 -7.958
237 HA LYS 34 HA LYS 34 2.055 -0.803 -6.731
238 HB2 LYS 34 HB2 LYS 34 2.995 -0.997 -8.756
239 HB3 LYS 34 HB1 LYS 34 3.106 0.747 -8.964
240 HG2 LYS 34 HG2 LYS 34 5.195 0.822 -7.800
241 HG3 LYS 34 HG1 LYS 34 5.041 -0.862 -7.312
242 HD2 LYS 34 HD2 LYS 34 5.388 -1.633 -9.509
243 HD3 LYS 34 HD1 LYS 34 5.198 -0.013 -10.192
244 HE2 LYS 34 HE2 LYS 34 7.546 -0.606 -10.144
245 HE3 LYS 34 HE1 LYS 34 7.238 0.696 -8.997
246 HZ1 LYS 34 HZ1 LYS 34 7.632 -2.184 -8.372
247 HZ2 LYS 34 HZ2 LYS 34 7.143 -1.028 -7.231
248 HZ3 LYS 34 HZ3 LYS 34 8.659 -0.898 -7.968
249 HA PRO 35 HA PRO 35 4.438 0.571 -3.214
250 HB2 PRO 35 HB2 PRO 35 5.573 -1.913 -2.796
251 HB3 PRO 35 HB1 PRO 35 4.008 -1.393 -2.165
252 HG2 PRO 35 HG2 PRO 35 4.624 -3.055 -4.570
253 HG3 PRO 35 HG1 PRO 35 3.310 -3.218 -3.381
254 HD2 PRO 35 HD2 PRO 35 2.904 -2.163 -5.814
255 HD3 PRO 35 HD1 PRO 35 2.042 -1.571 -4.378
256 H THR 36 HN THR 36 6.662 0.777 -2.648
257 HA THR 36 HA THR 36 8.591 1.786 -3.294
258 HB THR 36 HB THR 36 9.431 -0.382 -2.688
259 HG1 THR 36 HG1 THR 36 10.690 0.405 -5.118
260 HG21 THR 36 HG21 THR 36 9.835 -2.168 -4.323
261 HG22 THR 36 HG22 THR 36 8.982 -1.232 -5.551
262 HG23 THR 36 HG23 THR 36 8.115 -1.834 -4.137
263 H MET 37 HN MET 37 7.584 3.222 -4.654
264 HA MET 37 HA MET 37 6.811 2.791 -7.293
265 HB2 MET 37 HB2 MET 37 6.004 4.630 -5.880
266 HB3 MET 37 HB1 MET 37 7.593 5.375 -5.938
267 HG2 MET 37 HG2 MET 37 7.355 5.657 -8.368
268 HG3 MET 37 HG1 MET 37 5.740 4.954 -8.274
269 HE1 MET 37 HE1 MET 37 6.315 7.782 -9.613
270 HE2 MET 37 HE2 MET 37 4.978 8.733 -8.961
271 HE3 MET 37 HE3 MET 37 4.704 7.071 -9.488
272 H GLN 38 HN GLN 38 9.631 4.690 -6.201
273 HA GLN 38 HA GLN 38 10.771 4.296 -8.880
274 HB2 GLN 38 HB2 GLN 38 11.336 6.475 -6.859
275 HB3 GLN 38 HB1 GLN 38 12.059 6.345 -8.457
276 HG2 GLN 38 HG2 GLN 38 9.913 6.662 -9.502
277 HG3 GLN 38 HG1 GLN 38 9.118 6.671 -7.930
278 H ASP 39 HN ASP 39 13.259 4.518 -8.816
279 HA ASP 39 HA ASP 39 14.244 2.588 -6.859
280 HB2 ASP 39 HB2 ASP 39 16.163 2.310 -8.317
281 HB3 ASP 39 HB1 ASP 39 14.697 2.192 -9.283
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 7.976 -9.699 -0.539
2 H2 GLY 1 HT2 GLY 1 9.257 -9.826 0.565
3 H3 GLY 1 HT3 GLY 1 7.697 -9.466 1.114
4 HA2 GLY 1 HA1 GLY 1 6.918 -11.647 0.346
5 HA3 GLY 1 HA2 GLY 1 8.571 -12.015 -0.124
6 H SER 2 HN SER 2 10.173 -11.452 1.807
7 HA SER 2 HA SER 2 9.335 -13.111 4.032
8 HB2 SER 2 HB2 SER 2 11.923 -11.581 3.688
9 HB3 SER 2 HB1 SER 2 11.634 -12.978 4.728
10 HG SER 2 HG SER 2 12.484 -12.980 2.235
11 H SER 3 HN SER 3 7.995 -10.560 3.645
12 HA SER 3 HA SER 3 8.968 -8.986 5.923
13 HB2 SER 3 HB2 SER 3 7.791 -7.064 4.713
14 HB3 SER 3 HB1 SER 3 9.260 -7.683 3.953
15 HG SER 3 HG SER 3 6.564 -8.059 3.206
16 H SER 4 HN SER 4 7.653 -8.868 7.617
17 HA SER 4 HA SER 4 4.926 -9.799 7.500
18 HB2 SER 4 HB2 SER 4 6.350 -10.081 9.534
19 HB3 SER 4 HB1 SER 4 6.358 -8.330 9.738
20 HG SER 4 HG SER 4 3.990 -8.525 9.820
21 H GLY 5 HN GLY 5 6.642 -6.796 7.381
22 HA2 GLY 5 HA2 GLY 5 4.144 -5.280 7.323
23 HA3 GLY 5 HA1 GLY 5 5.768 -4.601 7.359
24 H LEU 6 HN LEU 6 4.869 -3.255 5.608
25 HA LEU 6 HA LEU 6 4.729 -4.699 3.046
26 HB2 LEU 6 HB2 LEU 6 3.559 -2.059 3.936
27 HB3 LEU 6 HB1 LEU 6 3.624 -2.536 2.249
28 HG LEU 6 HG LEU 6 1.441 -3.019 2.983
29 HD11 LEU 6 HD11 LEU 6 1.282 -5.453 2.814
30 HD12 LEU 6 HD12 LEU 6 3.024 -5.582 3.064
31 HD13 LEU 6 HD13 LEU 6 2.395 -4.774 1.628
32 HD21 LEU 6 HD21 LEU 6 1.803 -2.860 5.378
33 HD22 LEU 6 HD22 LEU 6 2.640 -4.412 5.377
34 HD23 LEU 6 HD23 LEU 6 0.923 -4.335 4.981
35 HA PRO 7 HA PRO 7 8.281 -2.743 1.146
36 HB2 PRO 7 HB2 PRO 7 7.067 -0.862 -0.577
37 HB3 PRO 7 HB1 PRO 7 7.584 -2.499 -0.989
38 HG2 PRO 7 HG2 PRO 7 4.887 -1.493 -0.249
39 HG3 PRO 7 HG1 PRO 7 5.341 -2.774 -1.387
40 HD2 PRO 7 HD2 PRO 7 4.318 -3.379 0.991
41 HD3 PRO 7 HD1 PRO 7 5.648 -4.343 0.315
42 HA PRO 8 HA PRO 8 9.840 0.598 3.403
43 HB2 PRO 8 HB2 PRO 8 10.008 2.057 0.786
44 HB3 PRO 8 HB1 PRO 8 11.197 1.964 2.096
45 HG2 PRO 8 HG2 PRO 8 11.370 0.408 -0.096
46 HG3 PRO 8 HG1 PRO 8 11.885 -0.153 1.501
47 HD2 PRO 8 HD2 PRO 8 9.603 -1.015 -0.119
48 HD3 PRO 8 HD1 PRO 8 10.328 -1.792 1.298
49 H GLY 9 HN GLY 9 7.817 1.066 4.441
50 HA2 GLY 9 HA2 GLY 9 6.629 2.769 5.414
51 HA3 GLY 9 HA1 GLY 9 7.212 3.865 4.171
52 H TRP 10 HN TRP 10 5.764 1.073 2.893
53 HA TRP 10 HA TRP 10 3.377 2.603 2.233
54 HB2 TRP 10 HB2 TRP 10 4.465 -0.029 1.225
55 HB3 TRP 10 HB1 TRP 10 2.888 0.600 0.749
56 HD1 TRP 10 HD1 TRP 10 6.638 1.511 0.482
57 HE1 TRP 10 HE1 TRP 10 6.947 3.030 -1.569
58 HE3 TRP 10 HE3 TRP 10 1.748 2.074 -0.850
59 HZ2 TRP 10 HZ2 TRP 10 5.316 4.282 -3.521
60 HZ3 TRP 10 HZ3 TRP 10 1.196 3.434 -2.824
61 HH2 TRP 10 HH2 TRP 10 2.949 4.520 -4.130
62 H GLU 11 HN GLU 11 1.288 1.961 2.760
63 HA GLU 11 HA GLU 11 1.151 0.054 5.009
64 HB2 GLU 11 HB2 GLU 11 0.858 2.624 5.363
65 HB3 GLU 11 HB1 GLU 11 -0.719 2.369 4.634
66 HG2 GLU 11 HG2 GLU 11 -0.961 2.344 6.994
67 HG3 GLU 11 HG1 GLU 11 -1.216 0.708 6.389
68 H GLU 12 HN GLU 12 0.095 -1.722 4.373
69 HA GLU 12 HA GLU 12 -2.011 -1.525 2.350
70 HB2 GLU 12 HB2 GLU 12 -0.242 -3.247 2.022
71 HB3 GLU 12 HB1 GLU 12 -0.748 -4.010 3.523
72 HG2 GLU 12 HG2 GLU 12 -3.064 -4.160 2.442
73 HG3 GLU 12 HG1 GLU 12 -2.231 -3.816 0.928
74 H LYS 13 HN LYS 13 -3.988 -1.262 3.075
75 HA LYS 13 HA LYS 13 -4.843 -2.859 5.390
76 HB2 LYS 13 HB2 LYS 13 -5.842 -0.061 4.794
77 HB3 LYS 13 HB1 LYS 13 -6.299 -1.077 6.154
78 HG2 LYS 13 HG2 LYS 13 -3.590 0.130 5.654
79 HG3 LYS 13 HG1 LYS 13 -4.763 0.632 6.870
80 HD2 LYS 13 HD2 LYS 13 -4.439 -1.309 8.147
81 HD3 LYS 13 HD1 LYS 13 -3.666 -2.167 6.807
82 HE2 LYS 13 HE2 LYS 13 -1.816 -0.492 6.919
83 HE3 LYS 13 HE1 LYS 13 -2.568 0.153 8.376
84 HZ1 LYS 13 HZ1 LYS 13 -0.746 -1.423 8.808
85 HZ2 LYS 13 HZ2 LYS 13 -1.662 -2.661 8.095
86 HZ3 LYS 13 HZ3 LYS 13 -2.217 -1.900 9.503
87 H GLN 14 HN GLN 14 -6.863 -3.816 5.149
88 HA GLN 14 HA GLN 14 -7.909 -3.622 2.425
89 HB2 GLN 14 HB2 GLN 14 -8.818 -5.839 2.682
90 HB3 GLN 14 HB1 GLN 14 -7.118 -5.860 3.119
91 HG2 GLN 14 HG2 GLN 14 -9.457 -5.865 5.018
92 HG3 GLN 14 HG1 GLN 14 -8.445 -7.243 4.607
93 HE21 GLN 14 HE21 GLN 14 -8.656 -4.270 6.394
94 HE22 GLN 14 HE22 GLN 14 -7.252 -4.526 7.379
95 H ASP 15 HN ASP 15 -9.822 -2.891 2.014
96 HA ASP 15 HA ASP 15 -11.358 -1.550 3.970
97 HB2 ASP 15 HB2 ASP 15 -11.179 -0.996 1.510
98 HB3 ASP 15 HB1 ASP 15 -12.206 -2.385 1.184
99 H ASP 16 HN ASP 16 -13.653 -1.987 4.459
100 HA ASP 16 HA ASP 16 -14.094 -4.629 5.363
101 HB2 ASP 16 HB2 ASP 16 -15.136 -2.656 6.409
102 HB3 ASP 16 HB1 ASP 16 -16.102 -2.397 4.960
103 H ARG 17 HN ARG 17 -14.785 -2.969 2.420
104 HA ARG 17 HA ARG 17 -16.623 -4.884 1.340
105 HB2 ARG 17 HB2 ARG 17 -14.882 -2.874 -0.103
106 HB3 ARG 17 HB1 ARG 17 -16.300 -3.687 -0.754
107 HG2 ARG 17 HG2 ARG 17 -17.772 -2.453 0.553
108 HG3 ARG 17 HG1 ARG 17 -16.515 -1.998 1.706
109 HD2 ARG 17 HD2 ARG 17 -16.855 -0.048 0.509
110 HD3 ARG 17 HD1 ARG 17 -15.457 -0.758 -0.287
111 HE ARG 17 HE ARG 17 -17.972 -1.450 -1.505
112 HH11 ARG 17 HH11 ARG 17 -15.288 0.797 -1.431
113 HH12 ARG 17 HH12 ARG 17 -15.686 1.514 -2.966
114 HH21 ARG 17 HH21 ARG 17 -18.526 -0.479 -3.502
115 HH22 ARG 17 HH22 ARG 17 -17.529 0.803 -4.133
116 H GLY 18 HN GLY 18 -13.446 -5.154 2.129
117 HA2 GLY 18 HA2 GLY 18 -12.172 -7.092 1.875
118 HA3 GLY 18 HA1 GLY 18 -13.180 -7.562 0.525
119 H ARG 19 HN ARG 19 -12.251 -4.391 0.101
120 HA ARG 19 HA ARG 19 -10.324 -5.140 -1.917
121 HB2 ARG 19 HB2 ARG 19 -11.620 -2.560 -1.078
122 HB3 ARG 19 HB1 ARG 19 -10.254 -2.573 -2.174
123 HG2 ARG 19 HG2 ARG 19 -12.578 -2.479 -3.153
124 HG3 ARG 19 HG1 ARG 19 -11.438 -3.601 -3.872
125 HD2 ARG 19 HD2 ARG 19 -12.459 -5.422 -2.653
126 HD3 ARG 19 HD1 ARG 19 -13.554 -4.311 -1.839
127 HE ARG 19 HE ARG 19 -14.054 -3.864 -4.473
128 HH11 ARG 19 HH11 ARG 19 -14.024 -6.767 -2.499
129 HH12 ARG 19 HH12 ARG 19 -15.237 -7.570 -3.442
130 HH21 ARG 19 HH21 ARG 19 -15.671 -4.897 -5.689
131 HH22 ARG 19 HH22 ARG 19 -16.172 -6.513 -5.275
132 H SER 20 HN SER 20 -8.314 -5.633 -1.189
133 HA SER 20 HA SER 20 -7.167 -4.272 1.081
134 HB2 SER 20 HB2 SER 20 -5.940 -6.236 -0.873
135 HB3 SER 20 HB1 SER 20 -5.181 -5.677 0.614
136 HG SER 20 HG SER 20 -6.294 -7.103 1.661
137 H TYR 21 HN TYR 21 -6.424 -2.258 0.867
138 HA TYR 21 HA TYR 21 -5.298 -1.473 -1.732
139 HB2 TYR 21 HB2 TYR 21 -5.996 0.841 -1.162
140 HB3 TYR 21 HB1 TYR 21 -7.328 -0.272 -1.376
141 HD1 TYR 21 HD2 TYR 21 -5.393 1.657 1.106
142 HD2 TYR 21 HD1 TYR 21 -8.835 -0.761 0.439
143 HE1 TYR 21 HE2 TYR 21 -6.275 2.305 3.313
144 HE2 TYR 21 HE1 TYR 21 -9.714 -0.125 2.644
145 HH TYR 21 HH TYR 21 -8.821 0.697 4.826
146 H TYR 22 HN TYR 22 -4.253 0.908 -1.153
147 HA TYR 22 HA TYR 22 -2.208 0.441 0.904
148 HB2 TYR 22 HB2 TYR 22 -1.486 1.383 -1.869
149 HB3 TYR 22 HB1 TYR 22 -0.392 0.933 -0.571
150 HD1 TYR 22 HD2 TYR 22 -0.594 -1.550 0.226
151 HD2 TYR 22 HD1 TYR 22 -1.889 -0.137 -3.568
152 HE1 TYR 22 HE2 TYR 22 -0.458 -3.838 -0.651
153 HE2 TYR 22 HE1 TYR 22 -1.763 -2.422 -4.468
154 HH TYR 22 HH TYR 22 -0.640 -4.517 -4.017
155 H VAL 23 HN VAL 23 -1.756 2.254 2.023
156 HA VAL 23 HA VAL 23 -1.928 4.803 0.573
157 HB VAL 23 HB VAL 23 -2.590 4.528 3.497
158 HG11 VAL 23 HG11 VAL 23 -1.636 6.673 2.950
159 HG12 VAL 23 HG12 VAL 23 -3.357 6.848 3.293
160 HG13 VAL 23 HG13 VAL 23 -2.783 6.863 1.623
161 HG21 VAL 23 HG21 VAL 23 -4.468 4.939 1.196
162 HG22 VAL 23 HG22 VAL 23 -4.903 5.019 2.904
163 HG23 VAL 23 HG23 VAL 23 -4.352 3.496 2.209
164 H ASP 24 HN ASP 24 -0.057 5.878 0.621
165 HA ASP 24 HA ASP 24 2.156 4.385 1.799
166 HB2 ASP 24 HB2 ASP 24 2.268 4.684 -0.565
167 HB3 ASP 24 HB1 ASP 24 1.959 6.412 -0.418
168 H HIS 25 HN HIS 25 3.460 5.121 3.325
169 HA HIS 25 HA HIS 25 3.079 7.786 4.424
170 HB2 HIS 25 HB2 HIS 25 5.050 5.633 5.232
171 HB3 HIS 25 HB1 HIS 25 4.705 7.107 6.120
172 HD1 HIS 25 HD1 HIS 25 2.567 7.185 7.517
173 HD2 HIS 25 HD2 HIS 25 3.100 3.608 5.470
174 HE1 HIS 25 HE1 HIS 25 0.938 5.570 8.538
175 HE2 HIS 25 HE2 HIS 25 1.469 3.349 7.466
176 H ASN 26 HN ASN 26 5.239 6.087 2.318
177 HA ASN 26 HA ASN 26 7.602 7.538 2.655
178 HB2 ASN 26 HB2 ASN 26 8.002 5.654 1.416
179 HB3 ASN 26 HB1 ASN 26 6.455 5.746 0.577
180 HD21 ASN 26 HD21 ASN 26 6.373 6.584 -1.399
181 HD22 ASN 26 HD22 ASN 26 7.728 7.249 -2.254
182 H SER 27 HN SER 27 5.100 8.005 0.137
183 HA SER 27 HA SER 27 6.012 10.802 -0.075
184 HB2 SER 27 HB2 SER 27 4.787 9.045 -2.203
185 HB3 SER 27 HB1 SER 27 5.151 10.762 -2.403
186 HG SER 27 HG SER 27 7.122 8.893 -1.613
187 H LYS 28 HN LYS 28 3.920 9.396 1.631
188 HA LYS 28 HA LYS 28 1.788 9.689 2.368
189 HB2 LYS 28 HB2 LYS 28 2.193 12.388 1.057
190 HB3 LYS 28 HB1 LYS 28 0.839 11.992 2.107
191 HG2 LYS 28 HG2 LYS 28 2.356 11.600 3.958
192 HG3 LYS 28 HG1 LYS 28 3.739 11.914 2.910
193 HD2 LYS 28 HD2 LYS 28 1.569 13.942 3.399
194 HD3 LYS 28 HD1 LYS 28 3.006 13.818 4.412
195 HE2 LYS 28 HE2 LYS 28 3.056 14.247 1.425
196 HE3 LYS 28 HE1 LYS 28 3.170 15.542 2.618
197 HZ1 LYS 28 HZ1 LYS 28 5.361 15.051 2.045
198 HZ2 LYS 28 HZ2 LYS 28 5.114 13.375 2.078
199 HZ3 LYS 28 HZ3 LYS 28 5.142 14.252 3.526
200 H THR 29 HN THR 29 2.182 8.370 -0.048
201 HA THR 29 HA THR 29 0.587 9.364 -2.163
202 HB THR 29 HB THR 29 1.623 6.559 -1.766
203 HG1 THR 29 HG1 THR 29 3.519 7.467 -1.924
204 HG21 THR 29 HG21 THR 29 1.631 6.485 -4.212
205 HG22 THR 29 HG22 THR 29 0.948 8.107 -4.263
206 HG23 THR 29 HG23 THR 29 0.001 6.778 -3.584
207 H THR 30 HN THR 30 -1.275 8.554 -3.011
208 HA THR 30 HA THR 30 -3.158 7.397 -1.178
209 HB THR 30 HB THR 30 -4.544 7.615 -3.481
210 HG1 THR 30 HG1 THR 30 -3.822 9.435 -4.588
211 HG21 THR 30 HG21 THR 30 -5.376 9.723 -2.586
212 HG22 THR 30 HG22 THR 30 -3.953 9.868 -1.555
213 HG23 THR 30 HG23 THR 30 -5.111 8.566 -1.277
214 H THR 31 HN THR 31 -4.733 5.836 -2.242
215 HA THR 31 HA THR 31 -3.478 3.377 -2.362
216 HB THR 31 HB THR 31 -5.717 3.881 -1.482
217 HG1 THR 31 HG1 THR 31 -4.867 1.727 -2.682
218 HG21 THR 31 HG21 THR 31 -6.475 3.931 -4.401
219 HG22 THR 31 HG22 THR 31 -6.592 5.271 -3.259
220 HG23 THR 31 HG23 THR 31 -7.627 3.855 -3.065
221 H TRP 32 HN TRP 32 -5.258 2.057 -4.487
222 HA TRP 32 HA TRP 32 -2.921 0.971 -5.038
223 HB2 TRP 32 HB2 TRP 32 -5.223 0.961 -6.963
224 HB3 TRP 32 HB1 TRP 32 -3.875 -0.167 -6.999
225 HD1 TRP 32 HD1 TRP 32 -3.891 -2.139 -5.179
226 HE1 TRP 32 HE1 TRP 32 -5.767 -3.054 -3.655
227 HE3 TRP 32 HE3 TRP 32 -7.150 1.727 -5.573
228 HZ2 TRP 32 HZ2 TRP 32 -8.329 -2.214 -2.761
229 HZ3 TRP 32 HZ3 TRP 32 -9.299 1.625 -4.365
230 HH2 TRP 32 HH2 TRP 32 -9.869 -0.309 -2.982
231 H SER 33 HN SER 33 -1.360 2.418 -5.426
232 HA SER 33 HA SER 33 -0.803 2.451 -8.286
233 HB2 SER 33 HB2 SER 33 -1.092 4.810 -7.545
234 HB3 SER 33 HB1 SER 33 0.087 4.554 -6.263
235 HG SER 33 HG SER 33 1.099 5.543 -8.004
236 H LYS 34 HN LYS 34 1.294 1.523 -8.699
237 HA LYS 34 HA LYS 34 1.834 -0.463 -6.797
238 HB2 LYS 34 HB2 LYS 34 3.410 -1.369 -8.237
239 HB3 LYS 34 HB1 LYS 34 2.309 -0.538 -9.319
240 HG2 LYS 34 HG2 LYS 34 3.846 1.221 -9.682
241 HG3 LYS 34 HG1 LYS 34 4.882 0.671 -8.357
242 HD2 LYS 34 HD2 LYS 34 5.397 -1.360 -9.565
243 HD3 LYS 34 HD1 LYS 34 4.297 -0.895 -10.864
244 HE2 LYS 34 HE2 LYS 34 5.685 1.005 -11.407
245 HE3 LYS 34 HE1 LYS 34 6.741 0.655 -10.038
246 HZ1 LYS 34 HZ1 LYS 34 6.294 -1.308 -12.214
247 HZ2 LYS 34 HZ2 LYS 34 7.539 -1.278 -11.062
248 HZ3 LYS 34 HZ3 LYS 34 7.507 -0.126 -12.312
249 HA PRO 35 HA PRO 35 4.277 1.472 -3.774
250 HB2 PRO 35 HB2 PRO 35 5.668 -0.741 -2.924
251 HB3 PRO 35 HB1 PRO 35 4.016 -0.349 -2.433
252 HG2 PRO 35 HG2 PRO 35 4.980 -2.241 -4.541
253 HG3 PRO 35 HG1 PRO 35 3.664 -2.442 -3.369
254 HD2 PRO 35 HD2 PRO 35 3.181 -1.813 -5.930
255 HD3 PRO 35 HD1 PRO 35 2.197 -1.138 -4.613
256 H THR 36 HN THR 36 6.413 2.025 -3.181
257 HA THR 36 HA THR 36 8.271 2.011 -5.410
258 HB THR 36 HB THR 36 8.623 3.301 -2.694
259 HG1 THR 36 HG1 THR 36 6.992 3.944 -4.813
260 HG21 THR 36 HG21 THR 36 10.662 3.078 -4.088
261 HG22 THR 36 HG22 THR 36 10.187 4.760 -3.851
262 HG23 THR 36 HG23 THR 36 9.842 3.954 -5.381
263 H MET 37 HN MET 37 10.059 0.812 -5.524
264 HA MET 37 HA MET 37 10.772 -0.884 -3.229
265 HB2 MET 37 HB2 MET 37 11.838 -2.369 -4.848
266 HB3 MET 37 HB1 MET 37 10.162 -2.087 -5.292
267 HG2 MET 37 HG2 MET 37 10.913 -0.412 -6.942
268 HG3 MET 37 HG1 MET 37 12.585 -0.801 -6.542
269 HE1 MET 37 HE1 MET 37 13.657 -3.226 -6.937
270 HE2 MET 37 HE2 MET 37 12.776 -4.574 -7.660
271 HE3 MET 37 HE3 MET 37 12.321 -3.975 -6.065
272 H GLN 38 HN GLN 38 13.145 -1.317 -2.997
273 HA GLN 38 HA GLN 38 14.599 1.169 -3.189
274 HB2 GLN 38 HB2 GLN 38 14.718 -0.413 -1.208
275 HB3 GLN 38 HB1 GLN 38 15.642 -1.502 -2.232
276 HG2 GLN 38 HG2 GLN 38 17.377 0.155 -2.498
277 HG3 GLN 38 HG1 GLN 38 16.438 1.322 -1.570
278 H ASP 39 HN ASP 39 15.107 1.609 -5.264
279 HA ASP 39 HA ASP 39 16.618 -0.418 -6.776
280 HB2 ASP 39 HB2 ASP 39 14.408 -0.329 -7.737
281 HB3 ASP 39 HB1 ASP 39 14.442 1.427 -7.777
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 6.650 -18.057 10.797
2 H2 GLY 1 HT2 GLY 1 7.606 -17.879 9.409
3 H3 GLY 1 HT3 GLY 1 5.918 -17.905 9.271
4 HA2 GLY 1 HA1 GLY 1 7.497 -15.814 10.672
5 HA3 GLY 1 HA2 GLY 1 6.828 -15.660 9.054
6 H SER 2 HN SER 2 6.342 -14.648 12.069
7 HA SER 2 HA SER 2 3.438 -14.953 12.096
8 HB2 SER 2 HB2 SER 2 3.683 -13.731 14.313
9 HB3 SER 2 HB1 SER 2 4.471 -15.308 14.222
10 HG SER 2 HG SER 2 5.651 -13.257 15.039
11 H SER 3 HN SER 3 5.654 -12.898 10.750
12 HA SER 3 HA SER 3 3.723 -10.695 10.701
13 HB2 SER 3 HB2 SER 3 6.724 -10.359 10.992
14 HB3 SER 3 HB1 SER 3 5.532 -9.059 10.925
15 HG SER 3 HG SER 3 5.093 -10.988 12.862
16 H SER 4 HN SER 4 3.560 -9.611 8.768
17 HA SER 4 HA SER 4 5.505 -10.065 6.662
18 HB2 SER 4 HB2 SER 4 3.792 -11.929 6.479
19 HB3 SER 4 HB1 SER 4 2.584 -10.690 6.151
20 HG SER 4 HG SER 4 3.661 -11.747 4.284
21 H GLY 5 HN GLY 5 5.977 -7.985 6.313
22 HA2 GLY 5 HA2 GLY 5 3.856 -5.977 6.487
23 HA3 GLY 5 HA1 GLY 5 5.583 -5.661 6.508
24 H LEU 6 HN LEU 6 4.705 -3.983 4.967
25 HA LEU 6 HA LEU 6 4.613 -5.089 2.244
26 HB2 LEU 6 HB2 LEU 6 3.404 -2.561 3.393
27 HB3 LEU 6 HB1 LEU 6 3.555 -2.830 1.664
28 HG LEU 6 HG LEU 6 1.356 -3.383 2.141
29 HD11 LEU 6 HD11 LEU 6 1.155 -5.773 1.822
30 HD12 LEU 6 HD12 LEU 6 2.843 -5.992 2.283
31 HD13 LEU 6 HD13 LEU 6 2.440 -5.099 0.817
32 HD21 LEU 6 HD21 LEU 6 2.328 -4.863 4.582
33 HD22 LEU 6 HD22 LEU 6 0.651 -4.773 4.035
34 HD23 LEU 6 HD23 LEU 6 1.489 -3.308 4.552
35 HA PRO 7 HA PRO 7 8.189 -2.728 0.687
36 HB2 PRO 7 HB2 PRO 7 6.368 -0.663 -0.388
37 HB3 PRO 7 HB1 PRO 7 7.582 -1.625 -1.220
38 HG2 PRO 7 HG2 PRO 7 4.792 -2.042 -1.206
39 HG3 PRO 7 HG1 PRO 7 6.034 -3.102 -1.889
40 HD2 PRO 7 HD2 PRO 7 4.374 -3.641 0.316
41 HD3 PRO 7 HD1 PRO 7 5.795 -4.573 -0.195
42 HA PRO 8 HA PRO 8 9.505 0.343 3.532
43 HB2 PRO 8 HB2 PRO 8 9.680 2.183 1.180
44 HB3 PRO 8 HB1 PRO 8 10.843 1.929 2.487
45 HG2 PRO 8 HG2 PRO 8 11.201 0.776 0.110
46 HG3 PRO 8 HG1 PRO 8 11.582 -0.089 1.606
47 HD2 PRO 8 HD2 PRO 8 9.346 -0.493 -0.285
48 HD3 PRO 8 HD1 PRO 8 10.106 -1.645 0.831
49 H GLY 9 HN GLY 9 7.616 0.718 4.687
50 HA2 GLY 9 HA2 GLY 9 6.089 2.090 5.682
51 HA3 GLY 9 HA1 GLY 9 6.730 3.399 4.700
52 H TRP 10 HN TRP 10 5.408 0.522 3.259
53 HA TRP 10 HA TRP 10 3.320 2.132 2.016
54 HB2 TRP 10 HB2 TRP 10 4.877 0.999 0.616
55 HB3 TRP 10 HB1 TRP 10 4.690 -0.497 1.492
56 HD1 TRP 10 HD1 TRP 10 3.087 -2.163 0.548
57 HE1 TRP 10 HE1 TRP 10 1.530 -2.225 -1.522
58 HE3 TRP 10 HE3 TRP 10 3.172 2.746 -0.652
59 HZ2 TRP 10 HZ2 TRP 10 0.491 -0.361 -3.396
60 HZ3 TRP 10 HZ3 TRP 10 1.898 3.556 -2.577
61 HH2 TRP 10 HH2 TRP 10 0.575 2.021 -3.922
62 H GLU 11 HN GLU 11 1.329 2.018 2.918
63 HA GLU 11 HA GLU 11 0.943 -0.045 4.963
64 HB2 GLU 11 HB2 GLU 11 0.839 2.554 5.287
65 HB3 GLU 11 HB1 GLU 11 -0.784 2.369 4.654
66 HG2 GLU 11 HG2 GLU 11 -0.956 2.340 6.992
67 HG3 GLU 11 HG1 GLU 11 -1.204 0.690 6.442
68 H GLU 12 HN GLU 12 -0.226 -1.754 4.310
69 HA GLU 12 HA GLU 12 -2.332 -1.407 2.302
70 HB2 GLU 12 HB2 GLU 12 -0.784 -3.157 1.756
71 HB3 GLU 12 HB1 GLU 12 -0.940 -3.868 3.357
72 HG2 GLU 12 HG2 GLU 12 -3.346 -4.319 2.832
73 HG3 GLU 12 HG1 GLU 12 -3.020 -3.795 1.183
74 H LYS 13 HN LYS 13 -4.316 -1.040 3.066
75 HA LYS 13 HA LYS 13 -5.257 -2.634 5.364
76 HB2 LYS 13 HB2 LYS 13 -6.101 0.225 4.817
77 HB3 LYS 13 HB1 LYS 13 -6.510 -0.759 6.218
78 HG2 LYS 13 HG2 LYS 13 -3.774 0.279 5.499
79 HG3 LYS 13 HG1 LYS 13 -4.814 0.866 6.796
80 HD2 LYS 13 HD2 LYS 13 -4.516 -1.073 8.076
81 HD3 LYS 13 HD1 LYS 13 -3.964 -2.008 6.683
82 HE2 LYS 13 HE2 LYS 13 -1.910 -0.674 6.597
83 HE3 LYS 13 HE1 LYS 13 -2.461 0.253 7.992
84 HZ1 LYS 13 HZ1 LYS 13 -0.895 -1.427 8.667
85 HZ2 LYS 13 HZ2 LYS 13 -1.836 -2.652 7.972
86 HZ3 LYS 13 HZ3 LYS 13 -2.421 -1.796 9.311
87 H GLN 14 HN GLN 14 -7.496 -3.229 5.260
88 HA GLN 14 HA GLN 14 -8.383 -3.359 2.473
89 HB2 GLN 14 HB2 GLN 14 -9.593 -5.345 3.048
90 HB3 GLN 14 HB1 GLN 14 -7.969 -5.483 3.696
91 HG2 GLN 14 HG2 GLN 14 -10.376 -4.681 5.314
92 HG3 GLN 14 HG1 GLN 14 -9.756 -6.323 5.191
93 HE21 GLN 14 HE21 GLN 14 -6.960 -5.406 5.191
94 HE22 GLN 14 HE22 GLN 14 -6.610 -4.973 6.831
95 H ASP 15 HN ASP 15 -10.711 -3.332 2.017
96 HA ASP 15 HA ASP 15 -12.051 -1.275 3.630
97 HB2 ASP 15 HB2 ASP 15 -13.098 -0.519 1.698
98 HB3 ASP 15 HB1 ASP 15 -11.556 -1.077 1.060
99 H ASP 16 HN ASP 16 -14.639 -1.583 2.853
100 HA ASP 16 HA ASP 16 -15.624 -3.530 4.616
101 HB2 ASP 16 HB2 ASP 16 -17.187 -2.368 2.310
102 HB3 ASP 16 HB1 ASP 16 -17.803 -2.916 3.863
103 H ARG 17 HN ARG 17 -14.949 -3.667 1.187
104 HA ARG 17 HA ARG 17 -16.541 -6.095 0.869
105 HB2 ARG 17 HB2 ARG 17 -15.040 -4.610 -1.283
106 HB3 ARG 17 HB1 ARG 17 -16.400 -5.710 -1.464
107 HG2 ARG 17 HG2 ARG 17 -17.874 -4.134 -0.392
108 HG3 ARG 17 HG1 ARG 17 -16.531 -3.047 -0.073
109 HD2 ARG 17 HD2 ARG 17 -16.213 -3.072 -2.640
110 HD3 ARG 17 HD1 ARG 17 -17.864 -3.696 -2.668
111 HE ARG 17 HE ARG 17 -17.224 -1.194 -1.250
112 HH11 ARG 17 HH11 ARG 17 -19.120 -2.941 -3.635
113 HH12 ARG 17 HH12 ARG 17 -20.137 -1.581 -3.990
114 HH21 ARG 17 HH21 ARG 17 -18.564 0.589 -1.730
115 HH22 ARG 17 HH22 ARG 17 -19.814 0.426 -2.932
116 H GLY 18 HN GLY 18 -13.499 -5.411 1.839
117 HA2 GLY 18 HA2 GLY 18 -11.942 -7.072 2.387
118 HA3 GLY 18 HA1 GLY 18 -12.691 -8.134 1.210
119 H ARG 19 HN ARG 19 -11.953 -4.954 0.130
120 HA ARG 19 HA ARG 19 -9.772 -5.998 -1.516
121 HB2 ARG 19 HB2 ARG 19 -11.180 -3.333 -1.488
122 HB3 ARG 19 HB1 ARG 19 -9.866 -3.726 -2.578
123 HG2 ARG 19 HG2 ARG 19 -12.646 -4.835 -2.503
124 HG3 ARG 19 HG1 ARG 19 -11.829 -3.992 -3.819
125 HD2 ARG 19 HD2 ARG 19 -10.269 -5.869 -4.040
126 HD3 ARG 19 HD1 ARG 19 -11.123 -6.703 -2.744
127 HE ARG 19 HE ARG 19 -13.018 -6.102 -4.681
128 HH11 ARG 19 HH11 ARG 19 -10.138 -8.062 -4.347
129 HH12 ARG 19 HH12 ARG 19 -10.587 -9.175 -5.606
130 HH21 ARG 19 HH21 ARG 19 -13.597 -7.552 -6.376
131 HH22 ARG 19 HH22 ARG 19 -12.547 -8.882 -6.751
132 H SER 20 HN SER 20 -7.721 -5.836 -0.804
133 HA SER 20 HA SER 20 -7.177 -3.922 1.324
134 HB2 SER 20 HB2 SER 20 -5.042 -5.104 1.590
135 HB3 SER 20 HB1 SER 20 -6.401 -6.225 1.647
136 HG SER 20 HG SER 20 -4.291 -6.204 -0.014
137 H TYR 21 HN TYR 21 -6.681 -1.965 0.728
138 HA TYR 21 HA TYR 21 -5.028 -1.584 -1.676
139 HB2 TYR 21 HB2 TYR 21 -5.900 0.748 -1.678
140 HB3 TYR 21 HB1 TYR 21 -7.136 -0.472 -1.941
141 HD1 TYR 21 HD1 TYR 21 -8.650 -1.083 0.035
142 HD2 TYR 21 HD2 TYR 21 -6.087 2.324 0.054
143 HE1 TYR 21 HE1 TYR 21 -9.976 -0.093 1.852
144 HE2 TYR 21 HE2 TYR 21 -7.412 3.307 1.878
145 HH TYR 21 HH TYR 21 -9.812 3.103 2.705
146 H TYR 22 HN TYR 22 -3.784 0.692 -1.413
147 HA TYR 22 HA TYR 22 -2.481 0.531 1.197
148 HB2 TYR 22 HB2 TYR 22 -0.516 0.781 -0.971
149 HB3 TYR 22 HB1 TYR 22 -0.535 -0.261 0.449
150 HD1 TYR 22 HD1 TYR 22 -1.841 0.011 -3.029
151 HD2 TYR 22 HD2 TYR 22 -1.115 -2.538 0.301
152 HE1 TYR 22 HE1 TYR 22 -2.354 -1.948 -4.424
153 HE2 TYR 22 HE2 TYR 22 -1.627 -4.502 -1.086
154 HH TYR 22 HH TYR 22 -1.829 -4.391 -4.455
155 H VAL 23 HN VAL 23 -1.653 2.307 1.988
156 HA VAL 23 HA VAL 23 -1.396 4.704 0.299
157 HB VAL 23 HB VAL 23 -2.320 4.725 3.176
158 HG11 VAL 23 HG11 VAL 23 -2.307 6.890 1.104
159 HG12 VAL 23 HG12 VAL 23 -1.205 6.749 2.474
160 HG13 VAL 23 HG13 VAL 23 -2.924 7.035 2.750
161 HG21 VAL 23 HG21 VAL 23 -4.566 5.332 2.282
162 HG22 VAL 23 HG22 VAL 23 -4.075 3.666 1.978
163 HG23 VAL 23 HG23 VAL 23 -3.987 4.863 0.680
164 H ASP 24 HN ASP 24 0.734 5.218 0.288
165 HA ASP 24 HA ASP 24 2.408 3.955 2.314
166 HB2 ASP 24 HB2 ASP 24 3.657 3.496 0.543
167 HB3 ASP 24 HB1 ASP 24 2.750 4.594 -0.481
168 H HIS 25 HN HIS 25 3.965 4.989 3.517
169 HA HIS 25 HA HIS 25 3.170 7.647 4.345
170 HB2 HIS 25 HB2 HIS 25 5.219 5.723 5.452
171 HB3 HIS 25 HB1 HIS 25 4.801 7.261 6.194
172 HD1 HIS 25 HD1 HIS 25 2.801 7.282 7.731
173 HD2 HIS 25 HD2 HIS 25 3.058 3.796 5.479
174 HE1 HIS 25 HE1 HIS 25 1.071 5.723 8.682
175 HE2 HIS 25 HE2 HIS 25 1.458 3.534 7.491
176 H ASN 26 HN ASN 26 5.649 6.285 2.357
177 HA ASN 26 HA ASN 26 7.727 8.152 2.929
178 HB2 ASN 26 HB2 ASN 26 8.159 5.946 1.873
179 HB3 ASN 26 HB1 ASN 26 7.298 6.485 0.438
180 HD21 ASN 26 HD21 ASN 26 8.258 7.988 -0.933
181 HD22 ASN 26 HD22 ASN 26 9.948 8.363 -0.847
182 H SER 27 HN SER 27 5.513 7.840 0.167
183 HA SER 27 HA SER 27 6.145 10.614 -0.550
184 HB2 SER 27 HB2 SER 27 4.878 8.453 -2.234
185 HB3 SER 27 HB1 SER 27 5.356 10.059 -2.785
186 HG SER 27 HG SER 27 7.333 9.374 -2.983
187 H LYS 28 HN LYS 28 4.084 9.171 1.344
188 HA LYS 28 HA LYS 28 1.915 9.350 1.993
189 HB2 LYS 28 HB2 LYS 28 2.223 12.028 0.618
190 HB3 LYS 28 HB1 LYS 28 0.767 11.565 1.485
191 HG2 LYS 28 HG2 LYS 28 2.017 12.867 2.986
192 HG3 LYS 28 HG1 LYS 28 2.247 11.198 3.509
193 HD2 LYS 28 HD2 LYS 28 4.387 11.203 2.170
194 HD3 LYS 28 HD1 LYS 28 4.175 12.947 1.989
195 HE2 LYS 28 HE2 LYS 28 4.090 13.114 4.476
196 HE3 LYS 28 HE1 LYS 28 4.492 11.399 4.551
197 HZ1 LYS 28 HZ1 LYS 28 6.519 11.949 3.244
198 HZ2 LYS 28 HZ2 LYS 28 6.487 12.617 4.800
199 HZ3 LYS 28 HZ3 LYS 28 6.151 13.589 3.455
200 H THR 29 HN THR 29 2.484 7.868 -0.175
201 HA THR 29 HA THR 29 1.106 8.514 -2.530
202 HB THR 29 HB THR 29 1.926 5.782 -1.554
203 HG1 THR 29 HG1 THR 29 3.833 6.795 -1.678
204 HG21 THR 29 HG21 THR 29 1.979 5.202 -3.912
205 HG22 THR 29 HG22 THR 29 1.453 6.832 -4.333
206 HG23 THR 29 HG23 THR 29 0.365 5.751 -3.446
207 H THR 30 HN THR 30 -0.737 7.831 -3.357
208 HA THR 30 HA THR 30 -2.887 7.288 -1.544
209 HB THR 30 HB THR 30 -3.362 7.419 -4.468
210 HG1 THR 30 HG1 THR 30 -3.032 9.739 -4.369
211 HG21 THR 30 HG21 THR 30 -5.028 9.155 -3.547
212 HG22 THR 30 HG22 THR 30 -4.579 8.526 -1.956
213 HG23 THR 30 HG23 THR 30 -5.306 7.462 -3.162
214 H THR 31 HN THR 31 -4.606 5.793 -2.421
215 HA THR 31 HA THR 31 -3.779 3.148 -2.305
216 HB THR 31 HB THR 31 -5.915 3.945 -1.527
217 HG1 THR 31 HG1 THR 31 -7.257 2.321 -2.493
218 HG21 THR 31 HG21 THR 31 -6.364 5.676 -3.166
219 HG22 THR 31 HG22 THR 31 -7.724 4.555 -3.099
220 HG23 THR 31 HG23 THR 31 -6.567 4.460 -4.428
221 H TRP 32 HN TRP 32 -5.538 1.932 -4.464
222 HA TRP 32 HA TRP 32 -3.336 0.622 -5.007
223 HB2 TRP 32 HB2 TRP 32 -5.744 0.961 -6.714
224 HB3 TRP 32 HB1 TRP 32 -4.391 0.019 -7.332
225 HD1 TRP 32 HD1 TRP 32 -3.824 -2.283 -6.043
226 HE1 TRP 32 HE1 TRP 32 -5.302 -3.819 -4.595
227 HE3 TRP 32 HE3 TRP 32 -7.594 0.985 -5.048
228 HZ2 TRP 32 HZ2 TRP 32 -7.772 -3.651 -3.224
229 HZ3 TRP 32 HZ3 TRP 32 -9.504 0.222 -3.671
230 HH2 TRP 32 HH2 TRP 32 -9.577 -2.049 -2.778
231 H SER 33 HN SER 33 -1.546 1.710 -5.316
232 HA SER 33 HA SER 33 -0.957 2.673 -8.002
233 HB2 SER 33 HB2 SER 33 -1.260 4.655 -6.506
234 HB3 SER 33 HB1 SER 33 -0.011 4.010 -5.444
235 HG SER 33 HG SER 33 1.395 4.898 -6.709
236 H LYS 34 HN LYS 34 1.343 2.349 -8.523
237 HA LYS 34 HA LYS 34 2.502 0.052 -7.321
238 HB2 LYS 34 HB2 LYS 34 3.145 1.829 -9.522
239 HB3 LYS 34 HB1 LYS 34 4.582 1.371 -8.622
240 HG2 LYS 34 HG2 LYS 34 4.032 -0.110 -10.555
241 HG3 LYS 34 HG1 LYS 34 4.192 -0.938 -9.006
242 HD2 LYS 34 HD2 LYS 34 1.779 -1.018 -8.771
243 HD3 LYS 34 HD1 LYS 34 1.578 -0.114 -10.272
244 HE2 LYS 34 HE2 LYS 34 2.984 -2.767 -10.103
245 HE3 LYS 34 HE1 LYS 34 1.261 -2.607 -10.434
246 HZ1 LYS 34 HZ1 LYS 34 2.774 -2.822 -12.415
247 HZ2 LYS 34 HZ2 LYS 34 3.325 -1.258 -12.080
248 HZ3 LYS 34 HZ3 LYS 34 1.688 -1.519 -12.450
249 HA PRO 35 HA PRO 35 4.231 1.716 -3.570
250 HB2 PRO 35 HB2 PRO 35 6.349 -0.222 -3.855
251 HB3 PRO 35 HB1 PRO 35 5.019 -0.195 -2.698
252 HG2 PRO 35 HG2 PRO 35 5.305 -1.750 -5.137
253 HG3 PRO 35 HG1 PRO 35 4.116 -1.920 -3.835
254 HD2 PRO 35 HD2 PRO 35 3.548 -1.036 -6.371
255 HD3 PRO 35 HD1 PRO 35 2.575 -0.673 -4.933
256 H THR 36 HN THR 36 6.340 2.458 -2.751
257 HA THR 36 HA THR 36 7.523 4.222 -4.648
258 HB THR 36 HB THR 36 9.023 4.714 -2.564
259 HG1 THR 36 HG1 THR 36 7.362 4.042 -0.725
260 HG21 THR 36 HG21 THR 36 7.215 6.154 -3.410
261 HG22 THR 36 HG22 THR 36 7.266 6.139 -1.648
262 HG23 THR 36 HG23 THR 36 6.043 5.200 -2.505
263 H MET 37 HN MET 37 8.154 1.033 -4.183
264 HA MET 37 HA MET 37 11.011 1.345 -4.814
265 HB2 MET 37 HB2 MET 37 11.353 -0.927 -3.990
266 HB3 MET 37 HB1 MET 37 10.623 0.078 -2.745
267 HG2 MET 37 HG2 MET 37 8.431 -0.913 -3.273
268 HG3 MET 37 HG1 MET 37 9.206 -1.953 -4.466
269 HE1 MET 37 HE1 MET 37 11.069 -3.751 -3.836
270 HE2 MET 37 HE2 MET 37 11.570 -4.112 -2.184
271 HE3 MET 37 HE3 MET 37 11.986 -2.559 -2.910
272 H GLN 38 HN GLN 38 11.812 0.395 -6.663
273 HA GLN 38 HA GLN 38 9.751 -0.688 -8.466
274 HB2 GLN 38 HB2 GLN 38 10.509 1.572 -9.105
275 HB3 GLN 38 HB1 GLN 38 12.166 0.990 -9.176
276 HG2 GLN 38 HG2 GLN 38 11.652 -0.438 -11.019
277 HG3 GLN 38 HG1 GLN 38 9.934 -0.051 -10.893
278 H ASP 39 HN ASP 39 10.188 -2.489 -9.595
279 HA ASP 39 HA ASP 39 12.893 -3.507 -9.838
280 HB2 ASP 39 HB2 ASP 39 12.043 -4.485 -7.701
281 HB3 ASP 39 HB1 ASP 39 10.709 -5.197 -8.598
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 1.707 11.141 -11.433
2 H2 GLY 1 HT2 GLY 1 1.277 9.581 -11.943
3 H3 GLY 1 HT3 GLY 1 2.452 10.454 -12.788
4 HA2 GLY 1 HA1 GLY 1 3.439 8.734 -11.357
5 HA3 GLY 1 HA2 GLY 1 3.962 10.365 -10.940
6 H SER 2 HN SER 2 2.164 7.582 -9.920
7 HA SER 2 HA SER 2 1.604 8.914 -7.350
8 HB2 SER 2 HB2 SER 2 -0.079 6.683 -8.483
9 HB3 SER 2 HB1 SER 2 -0.501 7.855 -7.233
10 HG SER 2 HG SER 2 -1.177 9.161 -8.727
11 H SER 3 HN SER 3 2.099 7.751 -5.501
12 HA SER 3 HA SER 3 3.421 5.154 -5.949
13 HB2 SER 3 HB2 SER 3 4.818 5.745 -3.952
14 HB3 SER 3 HB1 SER 3 5.068 6.804 -5.340
15 HG SER 3 HG SER 3 3.700 7.326 -2.914
16 H SER 4 HN SER 4 2.714 3.453 -4.812
17 HA SER 4 HA SER 4 1.512 3.698 -2.225
18 HB2 SER 4 HB2 SER 4 -0.207 2.756 -4.530
19 HB3 SER 4 HB1 SER 4 -0.635 2.593 -2.830
20 HG SER 4 HG SER 4 0.052 5.146 -3.429
21 H GLY 5 HN GLY 5 0.084 1.047 -2.765
22 HA2 GLY 5 HA2 GLY 5 0.572 -1.206 -2.622
23 HA3 GLY 5 HA1 GLY 5 2.119 -0.866 -3.394
24 H LEU 6 HN LEU 6 1.633 -2.653 -0.994
25 HA LEU 6 HA LEU 6 3.593 -1.104 0.479
26 HB2 LEU 6 HB2 LEU 6 2.995 -1.781 2.454
27 HB3 LEU 6 HB1 LEU 6 1.433 -1.916 1.667
28 HG LEU 6 HG LEU 6 1.922 -4.404 1.427
29 HD11 LEU 6 HD11 LEU 6 4.363 -4.197 1.876
30 HD12 LEU 6 HD12 LEU 6 3.553 -5.381 2.906
31 HD13 LEU 6 HD13 LEU 6 3.977 -3.792 3.547
32 HD21 LEU 6 HD21 LEU 6 1.707 -3.245 4.193
33 HD22 LEU 6 HD22 LEU 6 1.267 -4.887 3.726
34 HD23 LEU 6 HD23 LEU 6 0.370 -3.514 3.078
35 HA PRO 7 HA PRO 7 6.826 -3.899 -0.299
36 HB2 PRO 7 HB2 PRO 7 8.504 -1.881 -0.742
37 HB3 PRO 7 HB1 PRO 7 7.457 -2.471 -2.028
38 HG2 PRO 7 HG2 PRO 7 7.237 0.002 -0.425
39 HG3 PRO 7 HG1 PRO 7 6.712 -0.329 -2.091
40 HD2 PRO 7 HD2 PRO 7 5.101 -0.364 0.265
41 HD3 PRO 7 HD1 PRO 7 4.651 -0.823 -1.392
42 HA PRO 8 HA PRO 8 9.163 -2.922 3.649
43 HB2 PRO 8 HB2 PRO 8 10.816 -1.858 1.358
44 HB3 PRO 8 HB1 PRO 8 11.387 -2.545 2.872
45 HG2 PRO 8 HG2 PRO 8 11.265 -4.032 0.665
46 HG3 PRO 8 HG1 PRO 8 10.828 -4.721 2.241
47 HD2 PRO 8 HD2 PRO 8 9.097 -4.090 -0.050
48 HD3 PRO 8 HD1 PRO 8 8.753 -5.096 1.373
49 H GLY 9 HN GLY 9 8.299 -1.153 4.731
50 HA2 GLY 9 HA2 GLY 9 8.661 1.180 5.213
51 HA3 GLY 9 HA1 GLY 9 8.798 1.467 3.481
52 H TRP 10 HN TRP 10 6.219 -0.386 3.364
53 HA TRP 10 HA TRP 10 4.436 1.958 3.675
54 HB2 TRP 10 HB2 TRP 10 4.434 -0.051 1.410
55 HB3 TRP 10 HB1 TRP 10 3.384 1.355 1.561
56 HD1 TRP 10 HD1 TRP 10 7.272 1.068 1.775
57 HE1 TRP 10 HE1 TRP 10 8.277 2.778 0.143
58 HE3 TRP 10 HE3 TRP 10 2.946 2.836 -0.278
59 HZ2 TRP 10 HZ2 TRP 10 7.366 4.604 -1.783
60 HZ3 TRP 10 HZ3 TRP 10 3.118 4.551 -2.029
61 HH2 TRP 10 HH2 TRP 10 5.273 5.408 -2.765
62 H GLU 11 HN GLU 11 2.036 1.314 3.545
63 HA GLU 11 HA GLU 11 1.636 -1.325 4.785
64 HB2 GLU 11 HB2 GLU 11 1.030 1.312 5.902
65 HB3 GLU 11 HB1 GLU 11 -0.331 0.205 5.948
66 HG2 GLU 11 HG2 GLU 11 0.869 0.080 8.015
67 HG3 GLU 11 HG1 GLU 11 1.082 -1.431 7.132
68 H GLU 12 HN GLU 12 -0.505 -2.211 4.561
69 HA GLU 12 HA GLU 12 -2.132 -0.972 2.445
70 HB2 GLU 12 HB2 GLU 12 -2.662 -3.134 1.583
71 HB3 GLU 12 HB1 GLU 12 -0.918 -3.085 1.796
72 HG2 GLU 12 HG2 GLU 12 -1.143 -4.327 3.900
73 HG3 GLU 12 HG1 GLU 12 -2.886 -4.404 3.651
74 H LYS 13 HN LYS 13 -4.353 -0.914 2.788
75 HA LYS 13 HA LYS 13 -5.343 -2.056 5.300
76 HB2 LYS 13 HB2 LYS 13 -5.837 0.788 4.389
77 HB3 LYS 13 HB1 LYS 13 -6.574 0.024 5.789
78 HG2 LYS 13 HG2 LYS 13 -3.653 0.630 5.401
79 HG3 LYS 13 HG1 LYS 13 -4.770 1.431 6.511
80 HD2 LYS 13 HD2 LYS 13 -4.921 -0.445 7.893
81 HD3 LYS 13 HD1 LYS 13 -4.284 -1.528 6.656
82 HE2 LYS 13 HE2 LYS 13 -2.553 -1.238 8.249
83 HE3 LYS 13 HE1 LYS 13 -2.104 -0.265 6.842
84 HZ1 LYS 13 HZ1 LYS 13 -3.541 0.887 9.162
85 HZ2 LYS 13 HZ2 LYS 13 -2.673 1.701 7.954
86 HZ3 LYS 13 HZ3 LYS 13 -1.853 0.786 9.118
87 H GLN 14 HN GLN 14 -6.989 -3.328 4.854
88 HA GLN 14 HA GLN 14 -8.350 -3.095 2.303
89 HB2 GLN 14 HB2 GLN 14 -9.278 -5.277 2.771
90 HB3 GLN 14 HB1 GLN 14 -7.550 -5.302 3.066
91 HG2 GLN 14 HG2 GLN 14 -9.656 -5.070 5.207
92 HG3 GLN 14 HG1 GLN 14 -8.865 -6.566 4.724
93 HE21 GLN 14 HE21 GLN 14 -8.548 -3.572 6.425
94 HE22 GLN 14 HE22 GLN 14 -7.066 -3.954 7.230
95 H ASP 15 HN ASP 15 -10.719 -3.365 2.212
96 HA ASP 15 HA ASP 15 -11.987 -1.616 4.193
97 HB2 ASP 15 HB2 ASP 15 -13.637 -1.148 2.547
98 HB3 ASP 15 HB1 ASP 15 -12.100 -1.149 1.686
99 H ASP 16 HN ASP 16 -14.672 -2.411 3.713
100 HA ASP 16 HA ASP 16 -14.857 -4.635 5.502
101 HB2 ASP 16 HB2 ASP 16 -17.284 -4.363 5.286
102 HB3 ASP 16 HB1 ASP 16 -16.502 -2.811 5.561
103 H ARG 17 HN ARG 17 -15.088 -4.218 2.032
104 HA ARG 17 HA ARG 17 -16.320 -6.770 1.555
105 HB2 ARG 17 HB2 ARG 17 -14.949 -4.852 -0.331
106 HB3 ARG 17 HB1 ARG 17 -15.834 -6.278 -0.824
107 HG2 ARG 17 HG2 ARG 17 -17.862 -5.367 0.113
108 HG3 ARG 17 HG1 ARG 17 -16.974 -3.950 0.651
109 HD2 ARG 17 HD2 ARG 17 -18.196 -3.517 -1.426
110 HD3 ARG 17 HD1 ARG 17 -16.452 -3.367 -1.645
111 HE ARG 17 HE ARG 17 -17.338 -5.990 -2.276
112 HH11 ARG 17 HH11 ARG 17 -17.306 -2.723 -3.521
113 HH12 ARG 17 HH12 ARG 17 -17.334 -3.214 -5.189
114 HH21 ARG 17 HH21 ARG 17 -17.360 -6.675 -4.445
115 HH22 ARG 17 HH22 ARG 17 -17.335 -5.489 -5.723
116 H GLY 18 HN GLY 18 -13.031 -5.485 1.490
117 HA2 GLY 18 HA2 GLY 18 -11.379 -7.146 2.332
118 HA3 GLY 18 HA1 GLY 18 -12.099 -8.282 1.207
119 H ARG 19 HN ARG 19 -11.792 -5.028 0.118
120 HA ARG 19 HA ARG 19 -9.547 -5.873 -1.576
121 HB2 ARG 19 HB2 ARG 19 -10.129 -4.031 -3.068
122 HB3 ARG 19 HB1 ARG 19 -11.517 -5.073 -2.810
123 HG2 ARG 19 HG2 ARG 19 -12.120 -3.340 -0.977
124 HG3 ARG 19 HG1 ARG 19 -11.046 -2.288 -1.906
125 HD2 ARG 19 HD2 ARG 19 -13.505 -3.721 -2.895
126 HD3 ARG 19 HD1 ARG 19 -13.289 -1.989 -2.689
127 HE ARG 19 HE ARG 19 -11.639 -3.477 -4.613
128 HH11 ARG 19 HH11 ARG 19 -13.937 -0.934 -3.899
129 HH12 ARG 19 HH12 ARG 19 -13.858 -0.250 -5.492
130 HH21 ARG 19 HH21 ARG 19 -11.557 -2.591 -6.714
131 HH22 ARG 19 HH22 ARG 19 -12.508 -1.176 -7.085
132 H SER 20 HN SER 20 -7.634 -5.365 -0.826
133 HA SER 20 HA SER 20 -7.368 -3.344 1.218
134 HB2 SER 20 HB2 SER 20 -6.301 -5.550 1.456
135 HB3 SER 20 HB1 SER 20 -5.340 -5.240 0.018
136 HG SER 20 HG SER 20 -4.009 -4.628 1.587
137 H TYR 21 HN TYR 21 -7.221 -1.284 0.536
138 HA TYR 21 HA TYR 21 -5.527 -0.702 -1.761
139 HB2 TYR 21 HB2 TYR 21 -6.261 1.740 -1.170
140 HB3 TYR 21 HB1 TYR 21 -7.357 0.661 -2.023
141 HD1 TYR 21 HD2 TYR 21 -6.620 2.298 1.181
142 HD2 TYR 21 HD1 TYR 21 -9.406 -0.092 -0.965
143 HE1 TYR 21 HE2 TYR 21 -8.287 2.672 2.947
144 HE2 TYR 21 HE1 TYR 21 -11.082 0.264 0.803
145 HH TYR 21 HH TYR 21 -10.725 2.603 3.250
146 H TYR 22 HN TYR 22 -3.804 0.784 -1.611
147 HA TYR 22 HA TYR 22 -2.302 0.056 0.777
148 HB2 TYR 22 HB2 TYR 22 -1.345 1.198 -1.840
149 HB3 TYR 22 HB1 TYR 22 -0.339 0.467 -0.585
150 HD1 TYR 22 HD2 TYR 22 -0.905 -2.023 -0.009
151 HD2 TYR 22 HD1 TYR 22 -2.118 -0.084 -3.596
152 HE1 TYR 22 HE2 TYR 22 -1.172 -4.213 -1.093
153 HE2 TYR 22 HE1 TYR 22 -2.398 -2.266 -4.689
154 HH TYR 22 HH TYR 22 -1.559 -4.548 -4.465
155 H VAL 23 HN VAL 23 -1.526 1.486 2.213
156 HA VAL 23 HA VAL 23 -1.941 4.328 1.648
157 HB VAL 23 HB VAL 23 -2.948 3.742 3.734
158 HG11 VAL 23 HG11 VAL 23 -1.760 1.670 4.182
159 HG12 VAL 23 HG12 VAL 23 -1.718 2.733 5.587
160 HG13 VAL 23 HG13 VAL 23 -0.297 2.578 4.560
161 HG21 VAL 23 HG21 VAL 23 -0.327 5.144 4.265
162 HG22 VAL 23 HG22 VAL 23 -1.751 5.196 5.302
163 HG23 VAL 23 HG23 VAL 23 -1.810 5.902 3.686
164 H ASP 24 HN ASP 24 -0.403 5.480 1.045
165 HA ASP 24 HA ASP 24 2.259 4.442 0.767
166 HB2 ASP 24 HB2 ASP 24 1.674 5.422 -1.200
167 HB3 ASP 24 HB1 ASP 24 0.561 6.540 -0.428
168 H HIS 25 HN HIS 25 3.856 4.845 2.112
169 HA HIS 25 HA HIS 25 3.649 6.931 4.104
170 HB2 HIS 25 HB2 HIS 25 5.628 4.739 3.577
171 HB3 HIS 25 HB1 HIS 25 6.011 6.042 4.695
172 HD1 HIS 25 HD1 HIS 25 5.131 5.844 7.019
173 HD2 HIS 25 HD2 HIS 25 3.351 3.144 4.415
174 HE1 HIS 25 HE1 HIS 25 3.745 4.327 8.462
175 HE2 HIS 25 HE2 HIS 25 2.980 2.514 6.890
176 H ASN 26 HN ASN 26 4.885 6.717 0.952
177 HA ASN 26 HA ASN 26 7.217 8.354 1.355
178 HB2 ASN 26 HB2 ASN 26 7.298 6.712 -0.398
179 HB3 ASN 26 HB1 ASN 26 5.845 7.345 -1.152
180 HD21 ASN 26 HD21 ASN 26 5.979 9.227 -2.386
181 HD22 ASN 26 HD22 ASN 26 7.495 9.877 -2.906
182 H SER 27 HN SER 27 4.094 8.863 -0.307
183 HA SER 27 HA SER 27 4.641 11.754 -0.279
184 HB2 SER 27 HB2 SER 27 2.400 10.361 -1.753
185 HB3 SER 27 HB1 SER 27 3.087 11.953 -2.070
186 HG SER 27 HG SER 27 3.854 9.543 -3.027
187 H LYS 28 HN LYS 28 2.966 9.368 1.335
188 HA LYS 28 HA LYS 28 1.561 9.364 3.099
189 HB2 LYS 28 HB2 LYS 28 1.781 12.357 2.843
190 HB3 LYS 28 HB1 LYS 28 0.712 11.601 4.015
191 HG2 LYS 28 HG2 LYS 28 2.686 12.119 5.185
192 HG3 LYS 28 HG1 LYS 28 2.754 10.384 4.895
193 HD2 LYS 28 HD2 LYS 28 4.285 10.710 3.056
194 HD3 LYS 28 HD1 LYS 28 4.142 12.462 3.210
195 HE2 LYS 28 HE2 LYS 28 6.195 11.791 4.233
196 HE3 LYS 28 HE1 LYS 28 5.080 12.269 5.510
197 HZ1 LYS 28 HZ1 LYS 28 5.718 9.483 4.691
198 HZ2 LYS 28 HZ2 LYS 28 4.590 9.910 5.885
199 HZ3 LYS 28 HZ3 LYS 28 6.235 10.253 6.114
200 H THR 29 HN THR 29 0.704 9.057 0.406
201 HA THR 29 HA THR 29 -2.068 10.050 0.581
202 HB THR 29 HB THR 29 -0.797 10.567 -1.520
203 HG1 THR 29 HG1 THR 29 -2.642 9.128 -2.749
204 HG21 THR 29 HG21 THR 29 -0.483 8.746 -3.154
205 HG22 THR 29 HG22 THR 29 -0.934 7.576 -1.912
206 HG23 THR 29 HG23 THR 29 0.526 8.551 -1.725
207 H THR 30 HN THR 30 -3.612 8.355 -0.593
208 HA THR 30 HA THR 30 -2.890 5.598 0.059
209 HB THR 30 HB THR 30 -5.510 6.798 0.985
210 HG1 THR 30 HG1 THR 30 -3.049 6.799 2.142
211 HG21 THR 30 HG21 THR 30 -5.744 4.674 2.204
212 HG22 THR 30 HG22 THR 30 -4.236 4.102 1.485
213 HG23 THR 30 HG23 THR 30 -5.638 4.419 0.461
214 H THR 31 HN THR 31 -3.042 4.706 -1.937
215 HA THR 31 HA THR 31 -5.477 4.971 -3.494
216 HB THR 31 HB THR 31 -2.921 5.878 -4.830
217 HG1 THR 31 HG1 THR 31 -4.700 7.321 -3.198
218 HG21 THR 31 HG21 THR 31 -4.772 5.191 -6.282
219 HG22 THR 31 HG22 THR 31 -4.491 6.930 -6.404
220 HG23 THR 31 HG23 THR 31 -5.844 6.315 -5.454
221 H TRP 32 HN TRP 32 -4.943 3.798 -5.803
222 HA TRP 32 HA TRP 32 -3.493 1.345 -5.114
223 HB2 TRP 32 HB2 TRP 32 -5.086 1.829 -7.640
224 HB3 TRP 32 HB1 TRP 32 -4.652 0.287 -6.911
225 HD1 TRP 32 HD1 TRP 32 -7.056 3.240 -6.432
226 HE1 TRP 32 HE1 TRP 32 -9.076 2.457 -5.049
227 HE3 TRP 32 HE3 TRP 32 -5.446 -1.475 -5.271
228 HZ2 TRP 32 HZ2 TRP 32 -9.879 0.136 -3.649
229 HZ3 TRP 32 HZ3 TRP 32 -6.906 -2.910 -3.903
230 HH2 TRP 32 HH2 TRP 32 -9.076 -2.118 -3.111
231 H SER 33 HN SER 33 -1.397 1.985 -5.347
232 HA SER 33 HA SER 33 -0.447 2.382 -8.070
233 HB2 SER 33 HB2 SER 33 0.516 4.042 -5.728
234 HB3 SER 33 HB1 SER 33 1.118 4.128 -7.388
235 HG SER 33 HG SER 33 -1.479 4.420 -7.556
236 H LYS 34 HN LYS 34 1.890 1.775 -8.299
237 HA LYS 34 HA LYS 34 2.361 -0.572 -6.706
238 HB2 LYS 34 HB2 LYS 34 4.143 -1.089 -8.158
239 HB3 LYS 34 HB1 LYS 34 2.869 -0.415 -9.159
240 HG2 LYS 34 HG2 LYS 34 4.058 1.480 -9.646
241 HG3 LYS 34 HG1 LYS 34 5.015 1.388 -8.161
242 HD2 LYS 34 HD2 LYS 34 6.354 0.836 -10.155
243 HD3 LYS 34 HD1 LYS 34 6.235 -0.516 -9.020
244 HE2 LYS 34 HE2 LYS 34 5.978 -1.264 -11.334
245 HE3 LYS 34 HE1 LYS 34 4.510 -1.539 -10.398
246 HZ1 LYS 34 HZ1 LYS 34 3.600 0.512 -11.364
247 HZ2 LYS 34 HZ2 LYS 34 3.943 -0.670 -12.531
248 HZ3 LYS 34 HZ3 LYS 34 4.983 0.659 -12.341
249 HA PRO 35 HA PRO 35 4.981 0.352 -3.324
250 HB2 PRO 35 HB2 PRO 35 6.813 -1.442 -4.889
251 HB3 PRO 35 HB1 PRO 35 6.503 -1.414 -3.147
252 HG2 PRO 35 HG2 PRO 35 5.245 -3.170 -4.602
253 HG3 PRO 35 HG1 PRO 35 4.333 -2.220 -3.397
254 HD2 PRO 35 HD2 PRO 35 4.396 -1.975 -6.371
255 HD3 PRO 35 HD1 PRO 35 3.045 -1.704 -5.250
256 H THR 36 HN THR 36 6.721 1.422 -2.518
257 HA THR 36 HA THR 36 8.265 3.228 -2.788
258 HB THR 36 HB THR 36 9.146 1.519 -1.360
259 HG1 THR 36 HG1 THR 36 11.337 1.816 -1.690
260 HG21 THR 36 HG21 THR 36 10.393 -0.422 -2.186
261 HG22 THR 36 HG22 THR 36 10.026 0.047 -3.843
262 HG23 THR 36 HG23 THR 36 8.723 -0.434 -2.760
263 H MET 37 HN MET 37 10.099 0.924 -4.697
264 HA MET 37 HA MET 37 10.004 2.553 -7.087
265 HB2 MET 37 HB2 MET 37 12.419 2.353 -5.306
266 HB3 MET 37 HB1 MET 37 12.627 2.495 -7.044
267 HG2 MET 37 HG2 MET 37 10.903 4.461 -5.607
268 HG3 MET 37 HG1 MET 37 12.658 4.606 -5.528
269 HE1 MET 37 HE1 MET 37 10.316 3.392 -8.509
270 HE2 MET 37 HE2 MET 37 10.178 4.898 -9.421
271 HE3 MET 37 HE3 MET 37 9.469 4.777 -7.811
272 H GLN 38 HN GLN 38 11.076 1.470 -8.881
273 HA GLN 38 HA GLN 38 10.756 -1.386 -8.682
274 HB2 GLN 38 HB2 GLN 38 9.932 -0.104 -10.634
275 HB3 GLN 38 HB1 GLN 38 11.591 0.313 -11.036
276 HG2 GLN 38 HG2 GLN 38 12.118 -1.928 -11.575
277 HG3 GLN 38 HG1 GLN 38 10.615 -2.518 -10.863
278 H ASP 39 HN ASP 39 12.373 -2.266 -7.534
279 HA ASP 39 HA ASP 39 15.145 -1.613 -8.263
280 HB2 ASP 39 HB2 ASP 39 14.428 -1.256 -5.874
281 HB3 ASP 39 HB1 ASP 39 14.157 -2.990 -5.753
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 2.477 -7.951 15.686
2 H2 GLY 1 HT2 GLY 1 3.748 -8.097 16.790
3 H3 GLY 1 HT3 GLY 1 3.060 -9.485 16.106
4 HA2 GLY 1 HA1 GLY 1 4.610 -7.406 14.665
5 HA3 GLY 1 HA2 GLY 1 5.166 -9.029 15.058
6 H SER 2 HN SER 2 4.006 -7.182 12.648
7 HA SER 2 HA SER 2 2.030 -8.710 11.405
8 HB2 SER 2 HB2 SER 2 2.823 -6.361 10.799
9 HB3 SER 2 HB1 SER 2 4.148 -7.138 9.932
10 HG SER 2 HG SER 2 2.826 -7.526 8.362
11 H SER 3 HN SER 3 2.024 -10.468 10.149
12 HA SER 3 HA SER 3 4.245 -12.223 10.216
13 HB2 SER 3 HB2 SER 3 2.645 -13.515 8.568
14 HB3 SER 3 HB1 SER 3 2.213 -13.339 10.271
15 HG SER 3 HG SER 3 1.042 -12.239 8.014
16 H SER 4 HN SER 4 2.962 -9.997 7.874
17 HA SER 4 HA SER 4 5.347 -10.430 6.231
18 HB2 SER 4 HB2 SER 4 3.798 -9.873 4.221
19 HB3 SER 4 HB1 SER 4 3.733 -11.505 4.885
20 HG SER 4 HG SER 4 1.787 -11.128 5.696
21 H GLY 5 HN GLY 5 6.016 -8.527 5.052
22 HA2 GLY 5 HA2 GLY 5 4.945 -6.060 6.284
23 HA3 GLY 5 HA1 GLY 5 6.662 -6.327 6.029
24 H LEU 6 HN LEU 6 4.451 -4.413 4.984
25 HA LEU 6 HA LEU 6 4.525 -4.830 2.145
26 HB2 LEU 6 HB2 LEU 6 3.525 -2.534 3.856
27 HB3 LEU 6 HB1 LEU 6 3.523 -2.476 2.102
28 HG LEU 6 HG LEU 6 1.341 -3.085 2.770
29 HD11 LEU 6 HD11 LEU 6 2.788 -5.576 1.914
30 HD12 LEU 6 HD12 LEU 6 2.159 -4.310 0.856
31 HD13 LEU 6 HD13 LEU 6 1.050 -5.303 1.809
32 HD21 LEU 6 HD21 LEU 6 2.574 -5.244 4.471
33 HD22 LEU 6 HD22 LEU 6 0.847 -4.990 4.222
34 HD23 LEU 6 HD23 LEU 6 1.805 -3.766 5.051
35 HA PRO 7 HA PRO 7 8.228 -2.930 0.755
36 HB2 PRO 7 HB2 PRO 7 7.140 -0.794 -0.757
37 HB3 PRO 7 HB1 PRO 7 7.605 -2.389 -1.351
38 HG2 PRO 7 HG2 PRO 7 4.928 -1.367 -0.565
39 HG3 PRO 7 HG1 PRO 7 5.366 -2.536 -1.824
40 HD2 PRO 7 HD2 PRO 7 4.260 -3.344 0.454
41 HD3 PRO 7 HD1 PRO 7 5.560 -4.288 -0.301
42 HA PRO 8 HA PRO 8 9.527 0.088 3.639
43 HB2 PRO 8 HB2 PRO 8 10.845 1.293 1.228
44 HB3 PRO 8 HB1 PRO 8 11.512 0.991 2.840
45 HG2 PRO 8 HG2 PRO 8 12.057 -0.657 0.836
46 HG3 PRO 8 HG1 PRO 8 11.738 -1.287 2.461
47 HD2 PRO 8 HD2 PRO 8 10.027 -1.347 0.035
48 HD3 PRO 8 HD1 PRO 8 10.102 -2.487 1.390
49 H GLY 9 HN GLY 9 7.859 1.351 4.278
50 HA2 GLY 9 HA2 GLY 9 7.233 3.655 4.514
51 HA3 GLY 9 HA1 GLY 9 7.496 3.852 2.784
52 H TRP 10 HN TRP 10 5.983 1.145 2.547
53 HA TRP 10 HA TRP 10 3.450 2.564 2.155
54 HB2 TRP 10 HB2 TRP 10 4.499 0.016 0.905
55 HB3 TRP 10 HB1 TRP 10 2.950 0.767 0.520
56 HD1 TRP 10 HD1 TRP 10 6.732 1.575 0.293
57 HE1 TRP 10 HE1 TRP 10 7.079 3.234 -1.652
58 HE3 TRP 10 HE3 TRP 10 1.868 2.330 -1.014
59 HZ2 TRP 10 HZ2 TRP 10 5.497 4.630 -3.513
60 HZ3 TRP 10 HZ3 TRP 10 1.353 3.835 -2.896
61 HH2 TRP 10 HH2 TRP 10 3.137 4.966 -4.114
62 H GLU 11 HN GLU 11 1.431 1.590 2.663
63 HA GLU 11 HA GLU 11 1.587 -0.530 4.697
64 HB2 GLU 11 HB2 GLU 11 1.485 1.928 5.539
65 HB3 GLU 11 HB1 GLU 11 -0.193 1.866 5.024
66 HG2 GLU 11 HG2 GLU 11 -0.186 1.389 7.320
67 HG3 GLU 11 HG1 GLU 11 -0.450 -0.150 6.504
68 H GLU 12 HN GLU 12 0.104 -2.107 4.345
69 HA GLU 12 HA GLU 12 -1.927 -1.615 2.300
70 HB2 GLU 12 HB2 GLU 12 -0.430 -3.546 1.977
71 HB3 GLU 12 HB1 GLU 12 -0.984 -4.223 3.500
72 HG2 GLU 12 HG2 GLU 12 -3.244 -4.422 2.592
73 HG3 GLU 12 HG1 GLU 12 -2.693 -3.734 1.067
74 H LYS 13 HN LYS 13 -3.785 -0.912 3.053
75 HA LYS 13 HA LYS 13 -5.032 -2.418 5.262
76 HB2 LYS 13 HB2 LYS 13 -4.955 0.518 4.776
77 HB3 LYS 13 HB1 LYS 13 -6.474 -0.158 5.347
78 HG2 LYS 13 HG2 LYS 13 -5.213 0.625 7.218
79 HG3 LYS 13 HG1 LYS 13 -5.258 -1.138 7.266
80 HD2 LYS 13 HD2 LYS 13 -3.027 -0.364 7.785
81 HD3 LYS 13 HD1 LYS 13 -3.023 -1.191 6.225
82 HE2 LYS 13 HE2 LYS 13 -1.722 0.753 5.929
83 HE3 LYS 13 HE1 LYS 13 -3.283 1.071 5.165
84 HZ1 LYS 13 HZ1 LYS 13 -2.496 2.951 6.516
85 HZ2 LYS 13 HZ2 LYS 13 -2.528 1.964 7.896
86 HZ3 LYS 13 HZ3 LYS 13 -3.969 2.329 7.083
87 H GLN 14 HN GLN 14 -7.346 -2.774 4.981
88 HA GLN 14 HA GLN 14 -7.894 -2.822 2.099
89 HB2 GLN 14 HB2 GLN 14 -9.178 -4.877 2.492
90 HB3 GLN 14 HB1 GLN 14 -7.515 -5.045 3.027
91 HG2 GLN 14 HG2 GLN 14 -9.899 -4.570 4.812
92 HG3 GLN 14 HG1 GLN 14 -9.072 -6.109 4.568
93 HE21 GLN 14 HE21 GLN 14 -9.035 -3.044 6.153
94 HE22 GLN 14 HE22 GLN 14 -7.653 -3.337 7.160
95 H ASP 15 HN ASP 15 -9.281 -1.260 1.592
96 HA ASP 15 HA ASP 15 -11.989 -1.911 2.215
97 HB2 ASP 15 HB2 ASP 15 -11.032 0.878 2.846
98 HB3 ASP 15 HB1 ASP 15 -12.700 0.495 2.453
99 H ASP 16 HN ASP 16 -11.698 -2.446 -0.156
100 HA ASP 16 HA ASP 16 -12.467 -0.068 -1.671
101 HB2 ASP 16 HB2 ASP 16 -11.653 -1.750 -3.138
102 HB3 ASP 16 HB1 ASP 16 -12.462 -3.038 -2.247
103 H ARG 17 HN ARG 17 -13.993 -3.085 -0.780
104 HA ARG 17 HA ARG 17 -15.703 -1.590 1.043
105 HB2 ARG 17 HB2 ARG 17 -16.381 -4.266 -0.202
106 HB3 ARG 17 HB1 ARG 17 -17.382 -3.283 0.850
107 HG2 ARG 17 HG2 ARG 17 -17.720 -1.650 -0.830
108 HG3 ARG 17 HG1 ARG 17 -16.495 -2.387 -1.867
109 HD2 ARG 17 HD2 ARG 17 -17.933 -4.435 -1.964
110 HD3 ARG 17 HD1 ARG 17 -19.182 -3.527 -1.112
111 HE ARG 17 HE ARG 17 -19.127 -1.953 -3.034
112 HH11 ARG 17 HH11 ARG 17 -18.022 -5.256 -3.447
113 HH12 ARG 17 HH12 ARG 17 -18.330 -5.284 -5.156
114 HH21 ARG 17 HH21 ARG 17 -19.529 -1.994 -5.286
115 HH22 ARG 17 HH22 ARG 17 -19.185 -3.433 -6.203
116 H GLY 18 HN GLY 18 -13.752 -4.349 0.173
117 HA2 GLY 18 HA2 GLY 18 -12.625 -4.348 2.840
118 HA3 GLY 18 HA1 GLY 18 -13.430 -5.840 2.378
119 H ARG 19 HN ARG 19 -12.025 -4.259 -0.306
120 HA ARG 19 HA ARG 19 -10.072 -6.346 -0.587
121 HB2 ARG 19 HB2 ARG 19 -10.316 -3.946 -2.324
122 HB3 ARG 19 HB1 ARG 19 -9.611 -5.486 -2.746
123 HG2 ARG 19 HG2 ARG 19 -11.834 -6.505 -2.606
124 HG3 ARG 19 HG1 ARG 19 -12.512 -4.913 -2.240
125 HD2 ARG 19 HD2 ARG 19 -12.847 -5.268 -4.548
126 HD3 ARG 19 HD1 ARG 19 -11.537 -4.108 -4.395
127 HE ARG 19 HE ARG 19 -10.337 -6.590 -4.584
128 HH11 ARG 19 HH11 ARG 19 -12.445 -4.615 -6.568
129 HH12 ARG 19 HH12 ARG 19 -11.826 -5.232 -8.073
130 HH21 ARG 19 HH21 ARG 19 -9.537 -7.421 -6.545
131 HH22 ARG 19 HH22 ARG 19 -10.182 -6.852 -8.059
132 H SER 20 HN SER 20 -7.821 -6.177 -0.525
133 HA SER 20 HA SER 20 -6.854 -4.198 1.322
134 HB2 SER 20 HB2 SER 20 -5.427 -6.426 -0.138
135 HB3 SER 20 HB1 SER 20 -4.733 -5.467 1.170
136 HG SER 20 HG SER 20 -5.750 -6.675 2.544
137 H TYR 21 HN TYR 21 -6.163 -2.264 0.782
138 HA TYR 21 HA TYR 21 -4.989 -1.868 -1.882
139 HB2 TYR 21 HB2 TYR 21 -5.744 0.450 -1.767
140 HB3 TYR 21 HB1 TYR 21 -7.098 -0.651 -1.583
141 HD1 TYR 21 HD2 TYR 21 -4.736 1.437 0.425
142 HD2 TYR 21 HD1 TYR 21 -8.580 -0.369 0.192
143 HE1 TYR 21 HE2 TYR 21 -5.405 2.616 2.473
144 HE2 TYR 21 HE1 TYR 21 -9.253 0.811 2.239
145 HH TYR 21 HH TYR 21 -8.167 1.809 4.235
146 H TYR 22 HN TYR 22 -3.734 0.403 -1.748
147 HA TYR 22 HA TYR 22 -1.831 0.140 0.477
148 HB2 TYR 22 HB2 TYR 22 -1.109 0.951 -2.345
149 HB3 TYR 22 HB1 TYR 22 -0.006 0.612 -1.017
150 HD1 TYR 22 HD2 TYR 22 -0.083 -1.792 -0.054
151 HD2 TYR 22 HD1 TYR 22 -1.609 -0.716 -3.874
152 HE1 TYR 22 HE2 TYR 22 0.083 -4.134 -0.764
153 HE2 TYR 22 HE1 TYR 22 -1.451 -3.059 -4.600
154 HH TYR 22 HH TYR 22 -0.351 -5.073 -4.063
155 H VAL 23 HN VAL 23 -1.764 1.884 1.680
156 HA VAL 23 HA VAL 23 -1.733 4.479 0.308
157 HB VAL 23 HB VAL 23 -3.075 3.827 2.930
158 HG11 VAL 23 HG11 VAL 23 -3.257 6.203 3.405
159 HG12 VAL 23 HG12 VAL 23 -2.301 6.583 1.975
160 HG13 VAL 23 HG13 VAL 23 -1.558 5.730 3.331
161 HG21 VAL 23 HG21 VAL 23 -3.969 5.432 0.550
162 HG22 VAL 23 HG22 VAL 23 -4.944 5.007 1.961
163 HG23 VAL 23 HG23 VAL 23 -4.387 3.748 0.854
164 H ASP 24 HN ASP 24 -0.048 5.763 0.819
165 HA ASP 24 HA ASP 24 2.162 4.190 1.929
166 HB2 ASP 24 HB2 ASP 24 2.265 4.756 -0.426
167 HB3 ASP 24 HB1 ASP 24 2.077 6.465 -0.057
168 H HIS 25 HN HIS 25 3.510 4.943 3.473
169 HA HIS 25 HA HIS 25 2.887 7.435 4.834
170 HB2 HIS 25 HB2 HIS 25 5.156 5.491 5.334
171 HB3 HIS 25 HB1 HIS 25 4.693 6.824 6.378
172 HD1 HIS 25 HD1 HIS 25 2.626 6.461 7.907
173 HD2 HIS 25 HD2 HIS 25 3.665 3.194 5.557
174 HE1 HIS 25 HE1 HIS 25 1.383 4.499 8.881
175 HE2 HIS 25 HE2 HIS 25 2.252 2.502 7.602
176 H ASN 26 HN ASN 26 5.147 6.112 2.563
177 HA ASN 26 HA ASN 26 7.330 7.854 2.962
178 HB2 ASN 26 HB2 ASN 26 7.628 5.744 1.832
179 HB3 ASN 26 HB1 ASN 26 6.473 6.191 0.575
180 HD21 ASN 26 HD21 ASN 26 7.125 7.536 -1.070
181 HD22 ASN 26 HD22 ASN 26 8.783 7.979 -1.325
182 H SER 27 HN SER 27 4.870 7.854 0.395
183 HA SER 27 HA SER 27 5.526 10.668 -0.163
184 HB2 SER 27 HB2 SER 27 3.804 9.190 -2.045
185 HB3 SER 27 HB1 SER 27 5.181 10.246 -2.368
186 HG SER 27 HG SER 27 5.225 7.517 -1.544
187 H LYS 28 HN LYS 28 3.541 9.080 1.730
188 HA LYS 28 HA LYS 28 1.387 9.154 2.465
189 HB2 LYS 28 HB2 LYS 28 1.602 11.987 1.421
190 HB3 LYS 28 HB1 LYS 28 0.299 11.395 2.447
191 HG2 LYS 28 HG2 LYS 28 3.214 11.672 3.154
192 HG3 LYS 28 HG1 LYS 28 1.840 12.537 3.850
193 HD2 LYS 28 HD2 LYS 28 0.986 10.453 4.783
194 HD3 LYS 28 HD1 LYS 28 2.332 9.566 4.067
195 HE2 LYS 28 HE2 LYS 28 2.796 9.954 6.394
196 HE3 LYS 28 HE1 LYS 28 3.889 10.934 5.419
197 HZ1 LYS 28 HZ1 LYS 28 2.597 12.865 5.859
198 HZ2 LYS 28 HZ2 LYS 28 2.895 12.106 7.349
199 HZ3 LYS 28 HZ3 LYS 28 1.373 11.959 6.611
200 H THR 29 HN THR 29 1.755 7.952 0.107
201 HA THR 29 HA THR 29 0.242 9.003 -2.044
202 HB THR 29 HB THR 29 1.317 6.197 -1.643
203 HG1 THR 29 HG1 THR 29 3.043 7.062 -2.966
204 HG21 THR 29 HG21 THR 29 1.211 6.021 -4.075
205 HG22 THR 29 HG22 THR 29 0.520 7.641 -4.174
206 HG23 THR 29 HG23 THR 29 -0.400 6.333 -3.410
207 H THR 30 HN THR 30 -1.490 8.050 -3.047
208 HA THR 30 HA THR 30 -3.627 7.249 -1.310
209 HB THR 30 HB THR 30 -3.989 7.497 -4.256
210 HG1 THR 30 HG1 THR 30 -3.389 9.667 -2.483
211 HG21 THR 30 HG21 THR 30 -5.506 8.016 -1.745
212 HG22 THR 30 HG22 THR 30 -6.040 7.257 -3.251
213 HG23 THR 30 HG23 THR 30 -5.883 9.008 -3.156
214 H THR 31 HN THR 31 -5.192 5.683 -2.474
215 HA THR 31 HA THR 31 -4.179 3.131 -2.059
216 HB THR 31 HB THR 31 -6.433 3.898 -1.548
217 HG1 THR 31 HG1 THR 31 -7.268 1.962 -1.890
218 HG21 THR 31 HG21 THR 31 -6.834 5.341 -3.454
219 HG22 THR 31 HG22 THR 31 -8.113 4.140 -3.336
220 HG23 THR 31 HG23 THR 31 -6.835 3.950 -4.533
221 H TRP 32 HN TRP 32 -5.673 1.634 -4.186
222 HA TRP 32 HA TRP 32 -3.379 0.437 -4.627
223 HB2 TRP 32 HB2 TRP 32 -5.707 0.529 -6.511
224 HB3 TRP 32 HB1 TRP 32 -4.312 -0.492 -6.825
225 HD1 TRP 32 HD1 TRP 32 -3.964 -2.614 -5.232
226 HE1 TRP 32 HE1 TRP 32 -5.606 -3.901 -3.726
227 HE3 TRP 32 HE3 TRP 32 -7.659 0.863 -4.951
228 HZ2 TRP 32 HZ2 TRP 32 -8.153 -3.489 -2.571
229 HZ3 TRP 32 HZ3 TRP 32 -9.689 0.341 -3.626
230 HH2 TRP 32 HH2 TRP 32 -9.921 -1.780 -2.453
231 H SER 33 HN SER 33 -1.631 1.675 -5.014
232 HA SER 33 HA SER 33 -1.118 2.216 -7.837
233 HB2 SER 33 HB2 SER 33 -1.455 4.386 -6.645
234 HB3 SER 33 HB1 SER 33 -0.162 3.947 -5.531
235 HG SER 33 HG SER 33 1.308 4.208 -7.107
236 H LYS 34 HN LYS 34 1.102 1.808 -8.442
237 HA LYS 34 HA LYS 34 2.295 -0.289 -6.935
238 HB2 LYS 34 HB2 LYS 34 2.567 -0.534 -9.190
239 HB3 LYS 34 HB1 LYS 34 3.005 1.141 -9.471
240 HG2 LYS 34 HG2 LYS 34 4.794 -0.808 -8.040
241 HG3 LYS 34 HG1 LYS 34 4.792 -0.642 -9.794
242 HD2 LYS 34 HD2 LYS 34 5.462 1.476 -7.754
243 HD3 LYS 34 HD1 LYS 34 6.575 0.687 -8.872
244 HE2 LYS 34 HE2 LYS 34 5.525 1.750 -10.755
245 HE3 LYS 34 HE1 LYS 34 4.241 2.398 -9.738
246 HZ1 LYS 34 HZ1 LYS 34 7.108 3.180 -9.762
247 HZ2 LYS 34 HZ2 LYS 34 6.036 3.640 -8.534
248 HZ3 LYS 34 HZ3 LYS 34 5.755 4.144 -10.126
249 HA PRO 35 HA PRO 35 4.529 1.995 -4.062
250 HB2 PRO 35 HB2 PRO 35 6.090 -0.407 -3.536
251 HB3 PRO 35 HB1 PRO 35 4.755 0.275 -2.603
252 HG2 PRO 35 HG2 PRO 35 4.488 -2.056 -3.920
253 HG3 PRO 35 HG1 PRO 35 3.142 -0.902 -3.819
254 HD2 PRO 35 HD2 PRO 35 5.123 -1.224 -6.043
255 HD3 PRO 35 HD1 PRO 35 3.342 -1.233 -6.118
256 H THR 36 HN THR 36 6.727 2.523 -3.236
257 HA THR 36 HA THR 36 8.369 3.500 -5.253
258 HB THR 36 HB THR 36 9.352 2.815 -2.488
259 HG1 THR 36 HG1 THR 36 8.425 5.316 -2.638
260 HG21 THR 36 HG21 THR 36 10.005 5.060 -4.405
261 HG22 THR 36 HG22 THR 36 11.044 3.689 -4.016
262 HG23 THR 36 HG23 THR 36 10.665 4.887 -2.780
263 H MET 37 HN MET 37 8.919 0.692 -3.152
264 HA MET 37 HA MET 37 10.158 -1.205 -3.368
265 HB2 MET 37 HB2 MET 37 10.191 -0.507 -6.315
266 HB3 MET 37 HB1 MET 37 10.681 -2.053 -5.631
267 HG2 MET 37 HG2 MET 37 8.431 -2.478 -4.873
268 HG3 MET 37 HG1 MET 37 7.914 -0.881 -5.409
269 HE1 MET 37 HE1 MET 37 9.075 -4.460 -6.495
270 HE2 MET 37 HE2 MET 37 10.320 -3.419 -7.191
271 HE3 MET 37 HE3 MET 37 9.200 -4.275 -8.251
272 H GLN 38 HN GLN 38 12.397 -2.006 -4.040
273 HA GLN 38 HA GLN 38 14.286 0.036 -4.795
274 HB2 GLN 38 HB2 GLN 38 15.712 -0.228 -2.786
275 HB3 GLN 38 HB1 GLN 38 14.169 0.538 -2.436
276 HG2 GLN 38 HG2 GLN 38 13.320 -1.497 -1.479
277 HG3 GLN 38 HG1 GLN 38 14.768 -2.375 -1.974
278 H ASP 39 HN ASP 39 16.175 -0.777 -5.594
279 HA ASP 39 HA ASP 39 16.921 -3.520 -5.114
280 HB2 ASP 39 HB2 ASP 39 17.066 -4.127 -7.488
281 HB3 ASP 39 HB1 ASP 39 15.407 -3.799 -7.013
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 1.035 -16.804 3.092
2 H2 GLY 1 HT2 GLY 1 -0.231 -17.221 4.140
3 H3 GLY 1 HT3 GLY 1 -0.232 -15.714 3.370
4 HA2 GLY 1 HA1 GLY 1 -0.414 -18.331 1.981
5 HA3 GLY 1 HA2 GLY 1 -1.789 -17.293 2.337
6 H SER 2 HN SER 2 -2.354 -16.847 0.235
7 HA SER 2 HA SER 2 -0.465 -15.754 -1.625
8 HB2 SER 2 HB2 SER 2 -3.494 -15.705 -1.716
9 HB3 SER 2 HB1 SER 2 -2.399 -15.418 -3.071
10 HG SER 2 HG SER 2 -3.332 -17.612 -2.857
11 H SER 3 HN SER 3 0.464 -13.986 -0.619
12 HA SER 3 HA SER 3 -1.046 -12.064 0.820
13 HB2 SER 3 HB2 SER 3 1.726 -11.620 -0.267
14 HB3 SER 3 HB1 SER 3 1.015 -10.984 1.215
15 HG SER 3 HG SER 3 2.479 -13.130 0.966
16 H SER 4 HN SER 4 0.668 -11.917 -2.298
17 HA SER 4 HA SER 4 0.580 -10.449 -4.032
18 HB2 SER 4 HB2 SER 4 -2.300 -10.111 -3.137
19 HB3 SER 4 HB1 SER 4 -1.647 -9.639 -4.706
20 HG SER 4 HG SER 4 -1.596 -12.289 -3.690
21 H GLY 5 HN GLY 5 1.735 -9.445 -1.806
22 HA2 GLY 5 HA2 GLY 5 0.632 -7.074 -0.759
23 HA3 GLY 5 HA1 GLY 5 2.324 -7.544 -0.677
24 H LEU 6 HN LEU 6 1.628 -4.943 -0.917
25 HA LEU 6 HA LEU 6 1.585 -4.054 -3.634
26 HB2 LEU 6 HB2 LEU 6 2.277 -2.422 -1.158
27 HB3 LEU 6 HB1 LEU 6 1.670 -1.818 -2.684
28 HG LEU 6 HG LEU 6 0.153 -3.399 -0.611
29 HD11 LEU 6 HD11 LEU 6 -0.244 -0.653 -1.780
30 HD12 LEU 6 HD12 LEU 6 0.260 -1.047 -0.134
31 HD13 LEU 6 HD13 LEU 6 -1.364 -1.459 -0.683
32 HD21 LEU 6 HD21 LEU 6 -0.714 -2.681 -3.401
33 HD22 LEU 6 HD22 LEU 6 -1.759 -3.336 -2.139
34 HD23 LEU 6 HD23 LEU 6 -0.426 -4.304 -2.773
35 HA PRO 7 HA PRO 7 5.996 -3.463 -4.624
36 HB2 PRO 7 HB2 PRO 7 5.659 -0.577 -4.900
37 HB3 PRO 7 HB1 PRO 7 6.072 -1.768 -6.126
38 HG2 PRO 7 HG2 PRO 7 3.661 -0.469 -5.936
39 HG3 PRO 7 HG1 PRO 7 3.912 -1.983 -6.770
40 HD2 PRO 7 HD2 PRO 7 2.586 -1.444 -4.223
41 HD3 PRO 7 HD1 PRO 7 2.410 -2.824 -5.316
42 HA PRO 8 HA PRO 8 7.638 -1.602 -0.891
43 HB2 PRO 8 HB2 PRO 8 10.035 -0.717 -1.411
44 HB3 PRO 8 HB1 PRO 8 9.640 -2.419 -1.629
45 HG2 PRO 8 HG2 PRO 8 9.903 -0.264 -3.694
46 HG3 PRO 8 HG1 PRO 8 10.441 -1.951 -3.765
47 HD2 PRO 8 HD2 PRO 8 8.072 -0.965 -4.862
48 HD3 PRO 8 HD1 PRO 8 8.414 -2.672 -4.514
49 H GLY 9 HN GLY 9 7.769 0.143 0.437
50 HA2 GLY 9 HA2 GLY 9 8.619 2.333 0.936
51 HA3 GLY 9 HA1 GLY 9 8.174 2.834 -0.675
52 H TRP 10 HN TRP 10 5.403 1.553 -0.269
53 HA TRP 10 HA TRP 10 4.231 3.839 1.141
54 HB2 TRP 10 HB2 TRP 10 3.089 1.747 -0.715
55 HB3 TRP 10 HB1 TRP 10 2.038 2.764 0.255
56 HD1 TRP 10 HD1 TRP 10 3.579 2.646 -3.072
57 HE1 TRP 10 HE1 TRP 10 3.431 4.973 -4.193
58 HE3 TRP 10 HE3 TRP 10 2.347 5.458 1.002
59 HZ2 TRP 10 HZ2 TRP 10 2.864 7.628 -3.442
60 HZ3 TRP 10 HZ3 TRP 10 2.031 7.882 0.718
61 HH2 TRP 10 HH2 TRP 10 2.285 8.938 -1.456
62 H GLU 11 HN GLU 11 2.110 3.208 2.514
63 HA GLU 11 HA GLU 11 2.893 0.786 3.996
64 HB2 GLU 11 HB2 GLU 11 3.137 2.786 5.324
65 HB3 GLU 11 HB1 GLU 11 1.449 3.202 5.066
66 HG2 GLU 11 HG2 GLU 11 0.773 1.180 6.241
67 HG3 GLU 11 HG1 GLU 11 2.469 0.757 6.483
68 H GLU 12 HN GLU 12 1.691 -0.851 3.662
69 HA GLU 12 HA GLU 12 -0.688 -0.655 2.065
70 HB2 GLU 12 HB2 GLU 12 1.021 -2.336 1.638
71 HB3 GLU 12 HB1 GLU 12 0.762 -3.032 3.227
72 HG2 GLU 12 HG2 GLU 12 -1.590 -3.529 2.515
73 HG3 GLU 12 HG1 GLU 12 -1.114 -3.054 0.883
74 H LYS 13 HN LYS 13 -2.713 -0.438 2.871
75 HA LYS 13 HA LYS 13 -3.457 -2.265 5.066
76 HB2 LYS 13 HB2 LYS 13 -4.693 0.476 4.697
77 HB3 LYS 13 HB1 LYS 13 -4.927 -0.632 6.039
78 HG2 LYS 13 HG2 LYS 13 -2.346 0.776 5.387
79 HG3 LYS 13 HG1 LYS 13 -3.499 1.269 6.626
80 HD2 LYS 13 HD2 LYS 13 -3.022 -0.558 7.980
81 HD3 LYS 13 HD1 LYS 13 -2.360 -1.497 6.640
82 HE2 LYS 13 HE2 LYS 13 -0.449 0.045 6.527
83 HE3 LYS 13 HE1 LYS 13 -1.098 0.929 7.911
84 HZ1 LYS 13 HZ1 LYS 13 -0.922 -1.164 9.195
85 HZ2 LYS 13 HZ2 LYS 13 0.574 -0.564 8.674
86 HZ3 LYS 13 HZ3 LYS 13 -0.134 -1.879 7.871
87 H GLN 14 HN GLN 14 -4.785 -3.774 4.098
88 HA GLN 14 HA GLN 14 -6.619 -2.725 2.070
89 HB2 GLN 14 HB2 GLN 14 -6.745 -4.909 1.078
90 HB3 GLN 14 HB1 GLN 14 -5.071 -4.414 1.218
91 HG2 GLN 14 HG2 GLN 14 -6.458 -6.372 3.034
92 HG3 GLN 14 HG1 GLN 14 -5.433 -6.773 1.658
93 HE21 GLN 14 HE21 GLN 14 -3.598 -4.545 2.281
94 HE22 GLN 14 HE22 GLN 14 -2.626 -5.127 3.584
95 H ASP 15 HN ASP 15 -8.791 -3.303 2.052
96 HA ASP 15 HA ASP 15 -9.760 -3.444 4.797
97 HB2 ASP 15 HB2 ASP 15 -11.683 -2.318 4.056
98 HB3 ASP 15 HB1 ASP 15 -10.384 -1.621 3.098
99 H ASP 16 HN ASP 16 -12.294 -4.205 4.584
100 HA ASP 16 HA ASP 16 -12.370 -6.948 4.823
101 HB2 ASP 16 HB2 ASP 16 -14.702 -5.307 3.815
102 HB3 ASP 16 HB1 ASP 16 -14.763 -6.771 4.787
103 H ARG 17 HN ARG 17 -13.001 -4.978 1.966
104 HA ARG 17 HA ARG 17 -13.977 -7.181 0.408
105 HB2 ARG 17 HB2 ARG 17 -13.165 -4.419 -0.525
106 HB3 ARG 17 HB1 ARG 17 -14.202 -5.564 -1.377
107 HG2 ARG 17 HG2 ARG 17 -15.883 -5.389 0.319
108 HG3 ARG 17 HG1 ARG 17 -14.845 -4.382 1.319
109 HD2 ARG 17 HD2 ARG 17 -14.870 -2.727 -0.632
110 HD3 ARG 17 HD1 ARG 17 -16.211 -3.684 -1.266
111 HE ARG 17 HE ARG 17 -16.918 -3.192 1.319
112 HH11 ARG 17 HH11 ARG 17 -16.156 -1.161 -1.449
113 HH12 ARG 17 HH12 ARG 17 -17.033 0.205 -0.823
114 HH21 ARG 17 HH21 ARG 17 -18.070 -1.432 2.098
115 HH22 ARG 17 HH22 ARG 17 -18.114 0.062 1.206
116 H GLY 18 HN GLY 18 -10.911 -6.235 1.300
117 HA2 GLY 18 HA2 GLY 18 -8.956 -7.382 0.797
118 HA3 GLY 18 HA1 GLY 18 -9.775 -8.140 -0.555
119 H ARG 19 HN ARG 19 -9.973 -4.710 -0.365
120 HA ARG 19 HA ARG 19 -8.086 -4.544 -2.603
121 HB2 ARG 19 HB2 ARG 19 -10.205 -2.595 -1.694
122 HB3 ARG 19 HB1 ARG 19 -9.115 -2.326 -3.043
123 HG2 ARG 19 HG2 ARG 19 -10.036 -4.393 -4.093
124 HG3 ARG 19 HG1 ARG 19 -11.258 -4.410 -2.815
125 HD2 ARG 19 HD2 ARG 19 -10.754 -2.177 -4.779
126 HD3 ARG 19 HD1 ARG 19 -12.099 -3.309 -4.819
127 HE ARG 19 HE ARG 19 -12.399 -2.229 -2.395
128 HH11 ARG 19 HH11 ARG 19 -11.752 -0.703 -5.490
129 HH12 ARG 19 HH12 ARG 19 -12.626 0.746 -5.094
130 HH21 ARG 19 HH21 ARG 19 -13.498 -0.338 -1.852
131 HH22 ARG 19 HH22 ARG 19 -13.618 0.969 -2.998
132 H SER 20 HN SER 20 -6.254 -3.408 -2.473
133 HA SER 20 HA SER 20 -5.364 -2.708 0.181
134 HB2 SER 20 HB2 SER 20 -3.800 -2.346 -2.368
135 HB3 SER 20 HB1 SER 20 -3.182 -2.585 -0.739
136 HG SER 20 HG SER 20 -3.072 -4.608 -1.357
137 H TYR 21 HN TYR 21 -5.918 -0.731 0.971
138 HA TYR 21 HA TYR 21 -5.060 1.466 -0.769
139 HB2 TYR 21 HB2 TYR 21 -6.367 3.018 0.501
140 HB3 TYR 21 HB1 TYR 21 -7.412 1.747 -0.116
141 HD1 TYR 21 HD2 TYR 21 -8.243 -0.031 1.490
142 HD2 TYR 21 HD1 TYR 21 -6.215 3.469 2.809
143 HE1 TYR 21 HE2 TYR 21 -9.114 -0.385 3.762
144 HE2 TYR 21 HE1 TYR 21 -7.086 3.127 5.081
145 HH TYR 21 HH TYR 21 -8.638 0.218 6.041
146 H TYR 22 HN TYR 22 -3.215 2.183 -0.330
147 HA TYR 22 HA TYR 22 -1.947 1.555 2.225
148 HB2 TYR 22 HB2 TYR 22 0.124 2.447 1.099
149 HB3 TYR 22 HB1 TYR 22 -0.609 1.089 0.235
150 HD1 TYR 22 HD2 TYR 22 -0.075 4.733 0.206
151 HD2 TYR 22 HD1 TYR 22 -1.636 1.376 -1.853
152 HE1 TYR 22 HE2 TYR 22 -0.396 6.124 -1.793
153 HE2 TYR 22 HE1 TYR 22 -1.989 2.718 -3.822
154 HH TYR 22 HH TYR 22 -0.686 5.902 -4.160
155 H VAL 23 HN VAL 23 -1.087 3.208 3.535
156 HA VAL 23 HA VAL 23 -2.262 5.827 3.041
157 HB VAL 23 HB VAL 23 -1.931 6.386 5.268
158 HG11 VAL 23 HG11 VAL 23 -2.643 3.462 5.223
159 HG12 VAL 23 HG12 VAL 23 -3.745 4.817 4.987
160 HG13 VAL 23 HG13 VAL 23 -2.975 4.570 6.554
161 HG21 VAL 23 HG21 VAL 23 0.369 5.724 5.545
162 HG22 VAL 23 HG22 VAL 23 -0.078 4.019 5.513
163 HG23 VAL 23 HG23 VAL 23 -0.586 5.039 6.861
164 H ASP 24 HN ASP 24 -1.036 7.663 2.985
165 HA ASP 24 HA ASP 24 1.307 7.743 1.635
166 HB2 ASP 24 HB2 ASP 24 1.544 10.048 2.917
167 HB3 ASP 24 HB1 ASP 24 0.326 9.777 1.675
168 H HIS 25 HN HIS 25 2.485 6.005 2.698
169 HA HIS 25 HA HIS 25 4.075 6.809 4.966
170 HB2 HIS 25 HB2 HIS 25 3.230 4.451 4.383
171 HB3 HIS 25 HB1 HIS 25 4.528 4.419 3.199
172 HD1 HIS 25 HD1 HIS 25 3.897 4.360 6.900
173 HD2 HIS 25 HD2 HIS 25 7.022 4.001 4.211
174 HE1 HIS 25 HE1 HIS 25 5.874 3.633 8.267
175 HE2 HIS 25 HE2 HIS 25 7.811 3.698 6.654
176 H ASN 26 HN ASN 26 4.529 6.306 1.451
177 HA ASN 26 HA ASN 26 7.322 7.105 1.721
178 HB2 ASN 26 HB2 ASN 26 6.949 5.100 0.454
179 HB3 ASN 26 HB1 ASN 26 5.842 5.912 -0.642
180 HD21 ASN 26 HD21 ASN 26 8.967 6.963 0.658
181 HD22 ASN 26 HD22 ASN 26 9.746 7.121 -0.884
182 H SER 27 HN SER 27 4.631 8.032 -0.494
183 HA SER 27 HA SER 27 6.194 10.461 -1.089
184 HB2 SER 27 HB2 SER 27 4.176 9.142 -2.907
185 HB3 SER 27 HB1 SER 27 5.301 10.438 -3.322
186 HG SER 27 HG SER 27 6.997 8.858 -2.758
187 H LYS 28 HN LYS 28 3.674 9.551 0.645
188 HA LYS 28 HA LYS 28 2.110 10.663 1.770
189 HB2 LYS 28 HB2 LYS 28 3.562 12.945 0.547
190 HB3 LYS 28 HB1 LYS 28 2.011 13.260 1.318
191 HG2 LYS 28 HG2 LYS 28 3.795 13.613 2.899
192 HG3 LYS 28 HG1 LYS 28 2.850 12.206 3.383
193 HD2 LYS 28 HD2 LYS 28 4.593 10.794 2.217
194 HD3 LYS 28 HD1 LYS 28 5.568 12.261 2.092
195 HE2 LYS 28 HE2 LYS 28 5.326 12.488 4.593
196 HE3 LYS 28 HE1 LYS 28 4.630 10.868 4.592
197 HZ1 LYS 28 HZ1 LYS 28 6.997 10.830 5.103
198 HZ2 LYS 28 HZ2 LYS 28 7.349 11.582 3.620
199 HZ3 LYS 28 HZ3 LYS 28 6.693 10.024 3.644
200 H THR 29 HN THR 29 0.991 9.272 -0.041
201 HA THR 29 HA THR 29 -1.449 10.832 -0.340
202 HB THR 29 HB THR 29 -2.033 9.579 -2.444
203 HG1 THR 29 HG1 THR 29 -0.094 8.095 -2.002
204 HG21 THR 29 HG21 THR 29 -1.351 11.895 -2.619
205 HG22 THR 29 HG22 THR 29 -0.688 10.978 -3.971
206 HG23 THR 29 HG23 THR 29 0.347 11.420 -2.615
207 H THR 30 HN THR 30 -3.352 9.510 -0.023
208 HA THR 30 HA THR 30 -2.783 6.714 0.733
209 HB THR 30 HB THR 30 -4.910 8.571 1.818
210 HG1 THR 30 HG1 THR 30 -2.855 8.711 2.835
211 HG21 THR 30 HG21 THR 30 -4.568 5.618 2.322
212 HG22 THR 30 HG22 THR 30 -5.904 6.372 1.451
213 HG23 THR 30 HG23 THR 30 -5.686 6.685 3.173
214 H THR 31 HN THR 31 -3.579 5.246 -0.628
215 HA THR 31 HA THR 31 -5.904 5.768 -2.285
216 HB THR 31 HB THR 31 -3.120 5.914 -3.471
217 HG1 THR 31 HG1 THR 31 -4.831 7.747 -2.663
218 HG21 THR 31 HG21 THR 31 -5.724 5.762 -5.001
219 HG22 THR 31 HG22 THR 31 -4.492 4.493 -4.941
220 HG23 THR 31 HG23 THR 31 -4.125 6.052 -5.694
221 H TRP 32 HN TRP 32 -6.211 3.982 -3.941
222 HA TRP 32 HA TRP 32 -5.670 1.389 -2.949
223 HB2 TRP 32 HB2 TRP 32 -6.618 2.192 -5.707
224 HB3 TRP 32 HB1 TRP 32 -6.782 0.602 -4.957
225 HD1 TRP 32 HD1 TRP 32 -8.596 3.792 -5.357
226 HE1 TRP 32 HE1 TRP 32 -10.640 3.895 -3.795
227 HE3 TRP 32 HE3 TRP 32 -7.505 -0.186 -2.347
228 HZ2 TRP 32 HZ2 TRP 32 -11.653 2.464 -1.588
229 HZ3 TRP 32 HZ3 TRP 32 -9.061 -0.748 -0.527
230 HH2 TRP 32 HH2 TRP 32 -11.087 0.550 -0.156
231 H SER 33 HN SER 33 -4.773 -0.189 -5.042
232 HA SER 33 HA SER 33 -2.347 -0.306 -3.748
233 HB2 SER 33 HB2 SER 33 -3.546 -2.182 -4.645
234 HB3 SER 33 HB1 SER 33 -3.252 -1.629 -6.285
235 HG SER 33 HG SER 33 -1.492 -2.828 -4.464
236 H LYS 34 HN LYS 34 -1.183 1.479 -3.941
237 HA LYS 34 HA LYS 34 0.811 1.251 -6.059
238 HB2 LYS 34 HB2 LYS 34 0.114 3.481 -4.197
239 HB3 LYS 34 HB1 LYS 34 1.798 3.294 -4.664
240 HG2 LYS 34 HG2 LYS 34 1.062 3.353 -7.043
241 HG3 LYS 34 HG1 LYS 34 -0.561 3.760 -6.470
242 HD2 LYS 34 HD2 LYS 34 0.429 5.726 -5.293
243 HD3 LYS 34 HD1 LYS 34 1.971 5.358 -6.069
244 HE2 LYS 34 HE2 LYS 34 0.872 7.067 -7.345
245 HE3 LYS 34 HE1 LYS 34 0.829 5.568 -8.276
246 HZ1 LYS 34 HZ1 LYS 34 -1.456 5.214 -7.507
247 HZ2 LYS 34 HZ2 LYS 34 -1.311 6.671 -8.357
248 HZ3 LYS 34 HZ3 LYS 34 -1.406 6.685 -6.660
249 HA PRO 35 HA PRO 35 4.187 -0.575 -3.685
250 HB2 PRO 35 HB2 PRO 35 4.929 2.255 -3.023
251 HB3 PRO 35 HB1 PRO 35 5.997 0.881 -3.371
252 HG2 PRO 35 HG2 PRO 35 5.440 2.491 -5.337
253 HG3 PRO 35 HG1 PRO 35 5.258 0.752 -5.611
254 HD2 PRO 35 HD2 PRO 35 3.156 2.820 -5.162
255 HD3 PRO 35 HD1 PRO 35 3.111 1.407 -6.226
256 H THR 36 HN THR 36 5.530 -0.257 -1.490
257 HA THR 36 HA THR 36 4.208 0.247 0.919
258 HB THR 36 HB THR 36 3.767 -2.499 -0.182
259 HG1 THR 36 HG1 THR 36 2.152 -0.735 -0.317
260 HG21 THR 36 HG21 THR 36 3.590 -1.675 2.723
261 HG22 THR 36 HG22 THR 36 4.751 -2.808 2.035
262 HG23 THR 36 HG23 THR 36 3.035 -3.214 2.063
263 H MET 37 HN MET 37 5.919 -2.710 -0.158
264 HA MET 37 HA MET 37 8.368 -1.961 1.139
265 HB2 MET 37 HB2 MET 37 7.064 -2.548 3.126
266 HB3 MET 37 HB1 MET 37 6.662 -4.108 2.421
267 HG2 MET 37 HG2 MET 37 8.429 -4.261 4.117
268 HG3 MET 37 HG1 MET 37 8.961 -4.808 2.528
269 HE1 MET 37 HE1 MET 37 10.939 -4.118 4.949
270 HE2 MET 37 HE2 MET 37 12.202 -3.227 4.102
271 HE3 MET 37 HE3 MET 37 11.503 -4.672 3.373
272 H GLN 38 HN GLN 38 10.067 -3.384 0.660
273 HA GLN 38 HA GLN 38 9.504 -5.061 -1.655
274 HB2 GLN 38 HB2 GLN 38 11.365 -3.296 -1.560
275 HB3 GLN 38 HB1 GLN 38 12.226 -4.417 -0.515
276 HG2 GLN 38 HG2 GLN 38 13.037 -4.674 -2.745
277 HG3 GLN 38 HG1 GLN 38 12.111 -6.113 -2.314
278 H ASP 39 HN ASP 39 8.445 -6.682 -0.393
279 HA ASP 39 HA ASP 39 8.234 -8.604 0.775
280 HB2 ASP 39 HB2 ASP 39 9.677 -9.434 -1.049
281 HB3 ASP 39 HB1 ASP 39 11.100 -9.045 -0.085
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 2.623 -12.873 1.037
2 H2 GLY 1 HT2 GLY 1 3.575 -12.418 2.361
3 H3 GLY 1 HT3 GLY 1 3.682 -13.991 1.749
4 HA2 GLY 1 HA1 GLY 1 4.520 -13.080 -0.372
5 HA3 GLY 1 HA2 GLY 1 4.530 -11.495 0.388
6 H SER 2 HN SER 2 6.869 -11.846 -0.377
7 HA SER 2 HA SER 2 8.594 -13.670 0.827
8 HB2 SER 2 HB2 SER 2 9.292 -10.856 -0.042
9 HB3 SER 2 HB1 SER 2 10.380 -12.241 0.058
10 HG SER 2 HG SER 2 9.641 -12.975 -1.791
11 H SER 3 HN SER 3 7.969 -10.285 1.776
12 HA SER 3 HA SER 3 9.547 -10.672 4.196
13 HB2 SER 3 HB2 SER 3 9.849 -8.615 2.814
14 HB3 SER 3 HB1 SER 3 8.189 -8.159 3.179
15 HG SER 3 HG SER 3 10.272 -7.533 4.566
16 H SER 4 HN SER 4 8.696 -10.018 6.277
17 HA SER 4 HA SER 4 5.862 -10.707 6.539
18 HB2 SER 4 HB2 SER 4 6.534 -10.905 9.014
19 HB3 SER 4 HB1 SER 4 7.187 -12.112 7.904
20 HG SER 4 HG SER 4 9.030 -11.501 8.730
21 H GLY 5 HN GLY 5 7.612 -8.031 6.132
22 HA2 GLY 5 HA2 GLY 5 5.749 -6.395 7.741
23 HA3 GLY 5 HA1 GLY 5 7.446 -5.956 7.563
24 H LEU 6 HN LEU 6 5.653 -4.071 6.777
25 HA LEU 6 HA LEU 6 5.197 -4.489 3.925
26 HB2 LEU 6 HB2 LEU 6 4.086 -2.491 5.889
27 HB3 LEU 6 HB1 LEU 6 3.960 -2.230 4.159
28 HG LEU 6 HG LEU 6 1.915 -3.179 4.799
29 HD11 LEU 6 HD11 LEU 6 2.752 -4.186 2.792
30 HD12 LEU 6 HD12 LEU 6 1.910 -5.412 3.739
31 HD13 LEU 6 HD13 LEU 6 3.673 -5.370 3.713
32 HD21 LEU 6 HD21 LEU 6 3.453 -5.297 6.307
33 HD22 LEU 6 HD22 LEU 6 1.700 -5.202 6.143
34 HD23 LEU 6 HD23 LEU 6 2.569 -3.948 7.027
35 HA PRO 7 HA PRO 7 8.704 -2.009 2.601
36 HB2 PRO 7 HB2 PRO 7 8.041 -1.865 0.042
37 HB3 PRO 7 HB1 PRO 7 8.415 -3.423 0.812
38 HG2 PRO 7 HG2 PRO 7 5.708 -2.118 0.532
39 HG3 PRO 7 HG1 PRO 7 6.210 -3.677 -0.185
40 HD2 PRO 7 HD2 PRO 7 4.927 -3.643 2.096
41 HD3 PRO 7 HD1 PRO 7 6.376 -4.666 1.952
42 HA PRO 8 HA PRO 8 8.315 2.379 2.387
43 HB2 PRO 8 HB2 PRO 8 9.044 1.944 -0.489
44 HB3 PRO 8 HB1 PRO 8 9.617 3.187 0.631
45 HG2 PRO 8 HG2 PRO 8 11.046 0.956 0.134
46 HG3 PRO 8 HG1 PRO 8 11.042 1.742 1.720
47 HD2 PRO 8 HD2 PRO 8 9.915 -0.840 0.942
48 HD3 PRO 8 HD1 PRO 8 10.185 -0.180 2.567
49 H GLY 9 HN GLY 9 6.416 3.341 2.433
50 HA2 GLY 9 HA2 GLY 9 4.442 4.281 1.576
51 HA3 GLY 9 HA1 GLY 9 4.610 3.300 0.144
52 H TRP 10 HN TRP 10 5.255 1.682 2.835
53 HA TRP 10 HA TRP 10 3.232 -0.184 2.922
54 HB2 TRP 10 HB2 TRP 10 4.342 -0.165 5.407
55 HB3 TRP 10 HB1 TRP 10 5.093 -0.926 3.980
56 HD1 TRP 10 HD1 TRP 10 7.621 -0.429 4.503
57 HE1 TRP 10 HE1 TRP 10 9.011 1.720 4.533
58 HE3 TRP 10 HE3 TRP 10 3.839 2.828 4.797
59 HZ2 TRP 10 HZ2 TRP 10 8.472 4.588 4.702
60 HZ3 TRP 10 HZ3 TRP 10 4.243 5.220 4.869
61 HH2 TRP 10 HH2 TRP 10 6.544 6.111 4.851
62 H GLU 11 HN GLU 11 1.127 1.387 3.118
63 HA GLU 11 HA GLU 11 0.636 0.273 5.789
64 HB2 GLU 11 HB2 GLU 11 0.437 2.862 5.734
65 HB3 GLU 11 HB1 GLU 11 -1.018 2.571 4.788
66 HG2 GLU 11 HG2 GLU 11 -1.983 1.289 6.596
67 HG3 GLU 11 HG1 GLU 11 -0.507 1.480 7.539
68 H GLU 12 HN GLU 12 -0.364 -1.570 5.286
69 HA GLU 12 HA GLU 12 -1.854 -1.680 2.786
70 HB2 GLU 12 HB2 GLU 12 -0.190 -3.423 3.196
71 HB3 GLU 12 HB1 GLU 12 -1.022 -3.892 4.671
72 HG2 GLU 12 HG2 GLU 12 -2.942 -4.628 3.391
73 HG3 GLU 12 HG1 GLU 12 -2.190 -4.085 1.888
74 H LYS 13 HN LYS 13 -3.750 -0.881 3.012
75 HA LYS 13 HA LYS 13 -5.663 -2.142 4.816
76 HB2 LYS 13 HB2 LYS 13 -5.636 0.867 4.527
77 HB3 LYS 13 HB1 LYS 13 -6.461 -0.108 5.730
78 HG2 LYS 13 HG2 LYS 13 -3.471 0.201 5.595
79 HG3 LYS 13 HG1 LYS 13 -4.521 1.212 6.584
80 HD2 LYS 13 HD2 LYS 13 -5.135 -0.586 7.963
81 HD3 LYS 13 HD1 LYS 13 -4.523 -1.784 6.821
82 HE2 LYS 13 HE2 LYS 13 -2.243 -1.138 7.275
83 HE3 LYS 13 HE1 LYS 13 -2.790 0.208 8.280
84 HZ1 LYS 13 HZ1 LYS 13 -2.173 -1.521 9.738
85 HZ2 LYS 13 HZ2 LYS 13 -3.026 -2.692 8.857
86 HZ3 LYS 13 HZ3 LYS 13 -3.873 -1.516 9.731
87 H GLN 14 HN GLN 14 -7.785 -2.005 3.927
88 HA GLN 14 HA GLN 14 -8.397 -0.345 1.742
89 HB2 GLN 14 HB2 GLN 14 -7.451 -1.680 0.143
90 HB3 GLN 14 HB1 GLN 14 -7.571 -3.167 1.073
91 HG2 GLN 14 HG2 GLN 14 -8.995 -3.471 -0.745
92 HG3 GLN 14 HG1 GLN 14 -10.085 -3.043 0.565
93 HE21 GLN 14 HE21 GLN 14 -9.178 -0.168 0.292
94 HE22 GLN 14 HE22 GLN 14 -10.064 0.423 -1.069
95 H ASP 15 HN ASP 15 -10.623 -0.910 0.921
96 HA ASP 15 HA ASP 15 -12.570 -0.876 2.839
97 HB2 ASP 15 HB2 ASP 15 -12.851 -0.207 0.513
98 HB3 ASP 15 HB1 ASP 15 -12.615 -1.868 -0.026
99 H ASP 16 HN ASP 16 -14.233 -2.572 3.293
100 HA ASP 16 HA ASP 16 -12.785 -4.744 4.462
101 HB2 ASP 16 HB2 ASP 16 -14.722 -3.420 5.487
102 HB3 ASP 16 HB1 ASP 16 -15.782 -4.416 4.499
103 H ARG 17 HN ARG 17 -13.942 -4.464 1.419
104 HA ARG 17 HA ARG 17 -14.963 -7.177 1.132
105 HB2 ARG 17 HB2 ARG 17 -14.424 -5.059 -0.960
106 HB3 ARG 17 HB1 ARG 17 -15.342 -6.542 -1.192
107 HG2 ARG 17 HG2 ARG 17 -17.065 -5.772 0.291
108 HG3 ARG 17 HG1 ARG 17 -16.117 -4.349 0.723
109 HD2 ARG 17 HD2 ARG 17 -17.715 -3.603 -0.841
110 HD3 ARG 17 HD1 ARG 17 -16.189 -3.713 -1.721
111 HE ARG 17 HE ARG 17 -17.509 -6.145 -2.048
112 HH11 ARG 17 HH11 ARG 17 -18.008 -2.780 -2.907
113 HH12 ARG 17 HH12 ARG 17 -18.948 -3.154 -4.314
114 HH21 ARG 17 HH21 ARG 17 -18.759 -6.621 -3.894
115 HH22 ARG 17 HH22 ARG 17 -19.409 -5.327 -4.860
116 H GLY 18 HN GLY 18 -12.143 -6.697 1.943
117 HA2 GLY 18 HA2 GLY 18 -10.445 -8.391 1.397
118 HA3 GLY 18 HA1 GLY 18 -10.801 -8.086 -0.300
119 H ARG 19 HN ARG 19 -9.305 -6.772 2.598
120 HA ARG 19 HA ARG 19 -8.661 -4.287 1.329
121 HB2 ARG 19 HB2 ARG 19 -7.423 -5.069 3.905
122 HB3 ARG 19 HB1 ARG 19 -8.074 -3.523 3.356
123 HG2 ARG 19 HG2 ARG 19 -10.320 -4.289 3.688
124 HG3 ARG 19 HG1 ARG 19 -9.749 -5.912 4.106
125 HD2 ARG 19 HD2 ARG 19 -8.602 -5.048 6.053
126 HD3 ARG 19 HD1 ARG 19 -9.045 -3.401 5.616
127 HE ARG 19 HE ARG 19 -11.362 -4.991 5.918
128 HH11 ARG 19 HH11 ARG 19 -8.819 -3.491 7.802
129 HH12 ARG 19 HH12 ARG 19 -9.822 -3.245 9.196
130 HH21 ARG 19 HH21 ARG 19 -12.679 -4.702 7.756
131 HH22 ARG 19 HH22 ARG 19 -12.018 -3.911 9.160
132 H SER 20 HN SER 20 -7.118 -4.592 -0.294
133 HA SER 20 HA SER 20 -4.506 -4.544 1.012
134 HB2 SER 20 HB2 SER 20 -5.206 -5.932 -1.527
135 HB3 SER 20 HB1 SER 20 -3.550 -5.570 -1.064
136 HG SER 20 HG SER 20 -5.059 -6.819 0.875
137 H TYR 21 HN TYR 21 -4.354 -2.258 0.907
138 HA TYR 21 HA TYR 21 -3.151 -1.484 -1.555
139 HB2 TYR 21 HB2 TYR 21 -4.517 0.214 -2.328
140 HB3 TYR 21 HB1 TYR 21 -5.692 -0.948 -1.777
141 HD1 TYR 21 HD2 TYR 21 -3.858 2.041 -0.418
142 HD2 TYR 21 HD1 TYR 21 -7.518 -0.144 -0.604
143 HE1 TYR 21 HE2 TYR 21 -4.956 3.765 0.941
144 HE2 TYR 21 HE1 TYR 21 -8.615 1.594 0.742
145 HH TYR 21 HH TYR 21 -7.159 4.619 1.395
146 H TYR 22 HN TYR 22 -2.164 0.845 -1.210
147 HA TYR 22 HA TYR 22 -1.402 0.812 1.624
148 HB2 TYR 22 HB2 TYR 22 0.515 1.266 -0.660
149 HB3 TYR 22 HB1 TYR 22 0.932 1.226 1.075
150 HD1 TYR 22 HD1 TYR 22 -0.518 -0.836 -1.693
151 HD2 TYR 22 HD2 TYR 22 1.479 -0.850 2.066
152 HE1 TYR 22 HE1 TYR 22 -0.228 -3.265 -1.869
153 HE2 TYR 22 HE2 TYR 22 1.780 -3.288 1.894
154 HH TYR 22 HH TYR 22 0.539 -5.219 0.660
155 H VAL 23 HN VAL 23 -1.212 2.591 2.649
156 HA VAL 23 HA VAL 23 -1.227 5.140 1.233
157 HB VAL 23 HB VAL 23 -1.185 4.594 4.217
158 HG11 VAL 23 HG11 VAL 23 -0.247 6.761 3.638
159 HG12 VAL 23 HG12 VAL 23 -1.806 6.950 4.441
160 HG13 VAL 23 HG13 VAL 23 -1.685 7.146 2.693
161 HG21 VAL 23 HG21 VAL 23 -3.542 5.192 4.229
162 HG22 VAL 23 HG22 VAL 23 -3.259 3.791 3.194
163 HG23 VAL 23 HG23 VAL 23 -3.518 5.383 2.478
164 H ASP 24 HN ASP 24 0.748 5.682 0.493
165 HA ASP 24 HA ASP 24 3.125 4.841 1.846
166 HB2 ASP 24 HB2 ASP 24 2.846 6.817 -0.424
167 HB3 ASP 24 HB1 ASP 24 4.320 6.054 0.156
168 H HIS 25 HN HIS 25 3.289 5.816 3.775
169 HA HIS 25 HA HIS 25 2.864 8.553 4.311
170 HB2 HIS 25 HB2 HIS 25 4.664 6.477 5.561
171 HB3 HIS 25 HB1 HIS 25 4.458 8.099 6.241
172 HD1 HIS 25 HD1 HIS 25 2.801 8.130 8.087
173 HD2 HIS 25 HD2 HIS 25 1.936 5.184 5.271
174 HE1 HIS 25 HE1 HIS 25 0.722 6.983 8.918
175 HE2 HIS 25 HE2 HIS 25 0.255 5.146 7.253
176 H ASN 26 HN ASN 26 5.269 6.813 2.651
177 HA ASN 26 HA ASN 26 7.463 8.559 2.739
178 HB2 ASN 26 HB2 ASN 26 7.547 6.240 1.854
179 HB3 ASN 26 HB1 ASN 26 6.541 6.737 0.497
180 HD21 ASN 26 HD21 ASN 26 7.420 8.006 -1.135
181 HD22 ASN 26 HD22 ASN 26 9.130 8.212 -1.305
182 H SER 27 HN SER 27 4.780 8.278 0.422
183 HA SER 27 HA SER 27 5.669 10.776 -0.838
184 HB2 SER 27 HB2 SER 27 3.812 8.671 -1.970
185 HB3 SER 27 HB1 SER 27 4.565 10.008 -2.840
186 HG SER 27 HG SER 27 5.649 7.985 -3.127
187 H LYS 28 HN LYS 28 3.709 10.037 1.513
188 HA LYS 28 HA LYS 28 1.800 10.823 2.455
189 HB2 LYS 28 HB2 LYS 28 2.088 13.127 0.517
190 HB3 LYS 28 HB1 LYS 28 1.151 13.114 2.002
191 HG2 LYS 28 HG2 LYS 28 2.987 14.216 2.748
192 HG3 LYS 28 HG1 LYS 28 3.519 12.563 3.059
193 HD2 LYS 28 HD2 LYS 28 5.253 13.941 1.954
194 HD3 LYS 28 HD1 LYS 28 4.781 12.539 0.992
195 HE2 LYS 28 HE2 LYS 28 3.300 13.955 -0.337
196 HE3 LYS 28 HE1 LYS 28 3.778 15.357 0.617
197 HZ1 LYS 28 HZ1 LYS 28 5.996 15.181 -0.205
198 HZ2 LYS 28 HZ2 LYS 28 4.940 15.160 -1.528
199 HZ3 LYS 28 HZ3 LYS 28 5.655 13.716 -0.999
200 H THR 29 HN THR 29 1.539 9.035 0.206
201 HA THR 29 HA THR 29 -0.839 10.098 -1.155
202 HB THR 29 HB THR 29 1.082 9.632 -2.643
203 HG1 THR 29 HG1 THR 29 -0.123 8.590 -4.182
204 HG21 THR 29 HG21 THR 29 2.046 7.761 -1.365
205 HG22 THR 29 HG22 THR 29 1.809 7.360 -3.066
206 HG23 THR 29 HG23 THR 29 0.688 6.748 -1.852
207 H THR 30 HN THR 30 -2.671 8.874 -1.332
208 HA THR 30 HA THR 30 -2.721 6.284 0.087
209 HB THR 30 HB THR 30 -5.010 8.268 -0.138
210 HG1 THR 30 HG1 THR 30 -2.984 8.568 1.363
211 HG21 THR 30 HG21 THR 30 -4.712 5.706 1.428
212 HG22 THR 30 HG22 THR 30 -5.783 5.980 0.055
213 HG23 THR 30 HG23 THR 30 -6.063 6.830 1.574
214 H THR 31 HN THR 31 -2.678 4.828 -1.612
215 HA THR 31 HA THR 31 -4.685 5.135 -3.708
216 HB THR 31 HB THR 31 -2.907 6.455 -4.637
217 HG1 THR 31 HG1 THR 31 -2.208 4.347 -6.167
218 HG21 THR 31 HG21 THR 31 -0.636 5.573 -4.977
219 HG22 THR 31 HG22 THR 31 -1.083 4.109 -4.098
220 HG23 THR 31 HG23 THR 31 -1.057 5.665 -3.267
221 H TRP 32 HN TRP 32 -5.013 3.228 -4.976
222 HA TRP 32 HA TRP 32 -4.028 0.790 -3.735
223 HB2 TRP 32 HB2 TRP 32 -6.393 1.047 -4.569
224 HB3 TRP 32 HB1 TRP 32 -5.762 1.181 -6.204
225 HD1 TRP 32 HD1 TRP 32 -4.509 -1.118 -7.162
226 HE1 TRP 32 HE1 TRP 32 -5.121 -3.579 -6.732
227 HE3 TRP 32 HE3 TRP 32 -7.325 -0.521 -2.930
228 HZ2 TRP 32 HZ2 TRP 32 -6.599 -5.055 -4.834
229 HZ3 TRP 32 HZ3 TRP 32 -8.293 -2.530 -1.843
230 HH2 TRP 32 HH2 TRP 32 -7.955 -4.738 -2.803
231 H SER 33 HN SER 33 -1.859 1.092 -4.137
232 HA SER 33 HA SER 33 -1.004 0.212 -6.771
233 HB2 SER 33 HB2 SER 33 0.249 2.549 -5.299
234 HB3 SER 33 HB1 SER 33 0.852 1.833 -6.797
235 HG SER 33 HG SER 33 -1.731 2.389 -7.124
236 H LYS 34 HN LYS 34 1.008 -1.004 -6.679
237 HA LYS 34 HA LYS 34 1.595 -2.065 -4.072
238 HB2 LYS 34 HB2 LYS 34 2.101 -2.906 -6.697
239 HB3 LYS 34 HB1 LYS 34 3.686 -2.575 -6.009
240 HG2 LYS 34 HG2 LYS 34 3.007 -4.909 -5.682
241 HG3 LYS 34 HG1 LYS 34 3.225 -4.060 -4.145
242 HD2 LYS 34 HD2 LYS 34 0.814 -3.742 -3.959
243 HD3 LYS 34 HD1 LYS 34 0.568 -4.516 -5.522
244 HE2 LYS 34 HE2 LYS 34 0.050 -6.078 -3.769
245 HE3 LYS 34 HE1 LYS 34 1.513 -6.597 -4.602
246 HZ1 LYS 34 HZ1 LYS 34 1.603 -6.770 -2.142
247 HZ2 LYS 34 HZ2 LYS 34 1.529 -5.082 -2.048
248 HZ3 LYS 34 HZ3 LYS 34 2.846 -5.834 -2.812
249 HA PRO 35 HA PRO 35 3.943 1.284 -2.623
250 HB2 PRO 35 HB2 PRO 35 5.456 -0.075 -0.777
251 HB3 PRO 35 HB1 PRO 35 3.773 0.396 -0.528
252 HG2 PRO 35 HG2 PRO 35 4.904 -2.232 -1.403
253 HG3 PRO 35 HG1 PRO 35 3.611 -1.902 -0.236
254 HD2 PRO 35 HD2 PRO 35 3.059 -2.701 -2.717
255 HD3 PRO 35 HD1 PRO 35 2.048 -1.491 -1.898
256 H THR 36 HN THR 36 6.095 2.129 -2.406
257 HA THR 36 HA THR 36 8.271 2.461 -2.931
258 HB THR 36 HB THR 36 8.213 -0.284 -2.439
259 HG1 THR 36 HG1 THR 36 10.265 1.632 -2.798
260 HG21 THR 36 HG21 THR 36 9.706 0.244 -5.011
261 HG22 THR 36 HG22 THR 36 8.301 -0.805 -4.813
262 HG23 THR 36 HG23 THR 36 9.832 -1.222 -4.042
263 H MET 37 HN MET 37 6.126 0.990 -5.177
264 HA MET 37 HA MET 37 7.735 1.139 -7.496
265 HB2 MET 37 HB2 MET 37 5.778 -0.317 -7.368
266 HB3 MET 37 HB1 MET 37 4.723 1.090 -7.314
267 HG2 MET 37 HG2 MET 37 4.776 0.121 -9.549
268 HG3 MET 37 HG1 MET 37 5.458 1.745 -9.544
269 HE1 MET 37 HE1 MET 37 5.933 0.046 -12.033
270 HE2 MET 37 HE2 MET 37 7.676 0.180 -12.279
271 HE3 MET 37 HE3 MET 37 6.743 1.592 -11.785
272 H GLN 38 HN GLN 38 4.796 3.189 -6.990
273 HA GLN 38 HA GLN 38 6.211 5.345 -8.349
274 HB2 GLN 38 HB2 GLN 38 4.556 5.455 -10.165
275 HB3 GLN 38 HB1 GLN 38 5.437 3.931 -10.169
276 HG2 GLN 38 HG2 GLN 38 3.491 2.929 -8.924
277 HG3 GLN 38 HG1 GLN 38 2.617 4.424 -9.249
278 H ASP 39 HN ASP 39 5.222 7.346 -8.271
279 HA ASP 39 HA ASP 39 2.567 7.868 -7.592
280 HB2 ASP 39 HB2 ASP 39 3.125 7.198 -5.316
281 HB3 ASP 39 HB1 ASP 39 4.523 8.270 -5.314
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