Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
475249 | 2l12 RC | 17072 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 1.278 -0.399 0.184
2 H2 GLY 1 HT2 GLY 1 -0.128 0.530 0.022
3 H3 GLY 1 HT3 GLY 1 1.264 1.208 0.698
4 HA2 GLY 1 HA1 GLY 1 0.993 0.273 -2.100
5 HA3 GLY 1 HA2 GLY 1 0.925 1.955 -1.590
6 H GLU 2 HN GLU 2 2.850 3.034 -1.044
7 HA GLU 2 HA GLU 2 5.322 1.745 -1.949
8 HB2 GLU 2 HB2 GLU 2 6.318 3.986 -1.986
9 HB3 GLU 2 HB1 GLU 2 4.821 3.959 -2.904
10 HG2 GLU 2 HG2 GLU 2 4.944 4.973 -0.054
11 HG3 GLU 2 HG1 GLU 2 5.304 6.008 -1.430
12 H GLN 3 HN GLN 3 7.269 1.800 -0.699
13 HA GLN 3 HA GLN 3 6.821 1.140 2.084
14 HB2 GLN 3 HB2 GLN 3 8.340 -0.164 0.520
15 HB3 GLN 3 HB1 GLN 3 9.444 1.201 0.539
16 HG2 GLN 3 HG2 GLN 3 10.318 -0.384 2.064
17 HG3 GLN 3 HG1 GLN 3 9.625 0.904 3.045
18 HE21 GLN 3 HE21 GLN 3 10.201 -1.834 3.806
19 HE22 GLN 3 HE22 GLN 3 8.716 -2.547 4.315
20 H VAL 4 HN VAL 4 6.367 3.019 3.214
21 HA VAL 4 HA VAL 4 8.522 5.046 3.437
22 HB VAL 4 HB VAL 4 6.813 6.776 3.942
23 HG11 VAL 4 HG11 VAL 4 6.012 7.148 1.647
24 HG12 VAL 4 HG12 VAL 4 6.400 5.476 1.232
25 HG13 VAL 4 HG13 VAL 4 7.691 6.602 1.662
26 HG21 VAL 4 HG21 VAL 4 4.973 5.358 4.761
27 HG22 VAL 4 HG22 VAL 4 4.729 4.704 3.140
28 HG23 VAL 4 HG23 VAL 4 4.411 6.413 3.460
29 H PHE 5 HN PHE 5 9.070 5.715 5.462
30 HA PHE 5 HA PHE 5 7.575 4.776 7.826
31 HB2 PHE 5 HB2 PHE 5 10.568 4.391 7.340
32 HB3 PHE 5 HB1 PHE 5 9.866 4.345 8.950
33 HD1 PHE 5 HD1 PHE 5 9.643 2.674 5.592
34 HD2 PHE 5 HD2 PHE 5 9.019 2.309 9.806
35 HE1 PHE 5 HE1 PHE 5 9.136 0.286 5.320
36 HE2 PHE 5 HE2 PHE 5 8.516 -0.076 9.513
37 HZ PHE 5 HZ PHE 5 8.568 -1.090 7.276
38 H ALA 6 HN ALA 6 8.196 5.983 9.785
39 HA ALA 6 HA ALA 6 8.281 8.813 9.357
40 HB1 ALA 6 HB1 ALA 6 8.211 8.974 11.820
41 HB2 ALA 6 HB2 ALA 6 8.505 7.238 11.949
42 HB3 ALA 6 HB3 ALA 6 7.006 7.828 11.228
43 H VAL 7 HN VAL 7 10.136 9.720 8.665
44 HA VAL 7 HA VAL 7 12.739 8.639 9.419
45 HB VAL 7 HB VAL 7 13.693 9.824 7.636
46 HG11 VAL 7 HG11 VAL 7 12.126 8.168 6.740
47 HG12 VAL 7 HG12 VAL 7 12.284 9.534 5.644
48 HG13 VAL 7 HG13 VAL 7 10.851 9.380 6.664
49 HG21 VAL 7 HG21 VAL 7 11.378 11.773 7.657
50 HG22 VAL 7 HG22 VAL 7 12.708 11.793 6.499
51 HG23 VAL 7 HG23 VAL 7 13.021 12.082 8.210
52 H GLU 8 HN GLU 8 14.360 9.881 10.396
53 HA GLU 8 HA GLU 8 13.610 12.011 12.206
54 HB2 GLU 8 HB2 GLU 8 15.258 10.185 12.771
55 HB3 GLU 8 HB1 GLU 8 16.352 10.835 11.563
56 HG2 GLU 8 HG2 GLU 8 16.537 12.927 12.860
57 HG3 GLU 8 HG1 GLU 8 15.423 12.274 14.063
58 H SER 9 HN SER 9 16.441 11.860 10.053
59 HA SER 9 HA SER 9 15.766 14.124 8.430
60 HB2 SER 9 HB2 SER 9 17.994 14.455 10.502
61 HB3 SER 9 HB1 SER 9 17.663 15.584 9.185
62 HG SER 9 HG SER 9 15.459 15.676 10.201
63 H ILE 10 HN ILE 10 18.077 14.775 7.309
64 HA ILE 10 HA ILE 10 19.181 12.356 6.164
65 HB ILE 10 HB ILE 10 20.061 15.242 5.730
66 HG12 ILE 10 HG12 ILE 10 17.724 15.137 5.113
67 HG13 ILE 10 HG11 ILE 10 18.666 15.163 3.631
68 HG21 ILE 10 HG21 ILE 10 20.563 12.784 4.021
69 HG22 ILE 10 HG22 ILE 10 21.751 13.631 5.017
70 HG23 ILE 10 HG23 ILE 10 21.038 14.437 3.619
71 HD11 ILE 10 HD11 ILE 10 17.263 12.806 4.867
72 HD12 ILE 10 HD12 ILE 10 18.331 12.696 3.471
73 HD13 ILE 10 HD13 ILE 10 16.855 13.651 3.375
74 H ARG 11 HN ARG 11 21.069 11.432 6.689
75 HA ARG 11 HA ARG 11 22.623 12.404 8.962
76 HB2 ARG 11 HB2 ARG 11 22.026 9.760 7.864
77 HB3 ARG 11 HB1 ARG 11 23.760 9.948 8.026
78 HG2 ARG 11 HG2 ARG 11 21.748 10.374 10.256
79 HG3 ARG 11 HG1 ARG 11 22.698 8.905 10.009
80 HD2 ARG 11 HD2 ARG 11 24.766 10.115 10.436
81 HD3 ARG 11 HD1 ARG 11 23.898 11.653 10.499
82 HE ARG 11 HE ARG 11 22.917 11.009 12.565
83 HH11 ARG 11 HH11 ARG 11 25.365 8.722 11.495
84 HH12 ARG 11 HH12 ARG 11 25.631 8.074 13.078
85 HH21 ARG 11 HH21 ARG 11 23.255 10.137 14.632
86 HH22 ARG 11 HH22 ARG 11 24.425 8.881 14.862
87 H LYS 12 HN LYS 12 23.191 11.255 5.625
88 HA LYS 12 HA LYS 12 25.536 13.051 5.345
89 HB2 LYS 12 HB2 LYS 12 25.392 10.159 4.350
90 HB3 LYS 12 HB1 LYS 12 26.727 11.278 4.087
91 HG2 LYS 12 HG2 LYS 12 27.256 11.262 6.479
92 HG3 LYS 12 HG1 LYS 12 25.850 10.235 6.799
93 HD2 LYS 12 HD2 LYS 12 26.873 8.453 5.372
94 HD3 LYS 12 HD1 LYS 12 28.292 9.483 5.147
95 HE2 LYS 12 HE2 LYS 12 27.311 8.386 7.808
96 HE3 LYS 12 HE1 LYS 12 28.674 7.767 6.876
97 HZ1 LYS 12 HZ1 LYS 12 29.727 9.970 7.122
98 HZ2 LYS 12 HZ2 LYS 12 29.490 9.179 8.595
99 HZ3 LYS 12 HZ3 LYS 12 28.460 10.441 8.145
100 H LYS 13 HN LYS 13 25.930 13.678 3.129
101 HA LYS 13 HA LYS 13 23.780 13.154 1.171
102 HB2 LYS 13 HB2 LYS 13 23.205 15.284 2.263
103 HB3 LYS 13 HB1 LYS 13 24.833 15.897 1.997
104 HG2 LYS 13 HG2 LYS 13 24.416 15.845 -0.467
105 HG3 LYS 13 HG1 LYS 13 22.761 15.311 -0.149
106 HD2 LYS 13 HD2 LYS 13 22.342 17.426 1.105
107 HD3 LYS 13 HD1 LYS 13 23.994 17.948 0.755
108 HE2 LYS 13 HE2 LYS 13 23.467 17.891 -1.678
109 HE3 LYS 13 HE1 LYS 13 21.804 17.434 -1.290
110 HZ1 LYS 13 HZ1 LYS 13 23.146 19.937 -0.432
111 HZ2 LYS 13 HZ2 LYS 13 21.539 19.510 -0.116
112 HZ3 LYS 13 HZ3 LYS 13 22.039 19.802 -1.705
113 H ARG 14 HN ARG 14 24.536 12.910 -0.874
114 HA ARG 14 HA ARG 14 27.097 13.851 -1.808
115 HB2 ARG 14 HB2 ARG 14 28.156 11.656 -2.096
116 HB3 ARG 14 HB1 ARG 14 27.771 11.904 -0.396
117 HG2 ARG 14 HG2 ARG 14 25.651 10.518 -0.803
118 HG3 ARG 14 HG1 ARG 14 26.338 10.114 -2.378
119 HD2 ARG 14 HD2 ARG 14 27.707 9.582 0.281
120 HD3 ARG 14 HD1 ARG 14 26.754 8.396 -0.611
121 HE ARG 14 HE ARG 14 28.396 8.518 -2.406
122 HH11 ARG 14 HH11 ARG 14 29.431 9.865 0.668
123 HH12 ARG 14 HH12 ARG 14 31.103 9.518 0.380
124 HH21 ARG 14 HH21 ARG 14 30.585 8.108 -2.777
125 HH22 ARG 14 HH22 ARG 14 31.762 8.547 -1.588
126 H VAL 15 HN VAL 15 27.541 12.820 -4.063
127 HA VAL 15 HA VAL 15 24.998 12.238 -5.491
128 HB VAL 15 HB VAL 15 27.432 13.558 -6.784
129 HG11 VAL 15 HG11 VAL 15 24.534 13.339 -7.705
130 HG12 VAL 15 HG12 VAL 15 25.897 12.413 -8.340
131 HG13 VAL 15 HG13 VAL 15 25.830 14.160 -8.579
132 HG21 VAL 15 HG21 VAL 15 24.998 14.992 -5.650
133 HG22 VAL 15 HG22 VAL 15 26.245 15.739 -6.651
134 HG23 VAL 15 HG23 VAL 15 26.656 15.111 -5.053
135 H ARG 16 HN ARG 16 24.975 10.227 -6.242
136 HA ARG 16 HA ARG 16 27.491 8.762 -6.809
137 HB2 ARG 16 HB2 ARG 16 26.275 7.903 -4.802
138 HB3 ARG 16 HB1 ARG 16 24.835 7.655 -5.786
139 HG2 ARG 16 HG2 ARG 16 26.210 6.048 -7.205
140 HG3 ARG 16 HG1 ARG 16 27.486 6.190 -5.992
141 HD2 ARG 16 HD2 ARG 16 25.800 5.406 -4.276
142 HD3 ARG 16 HD1 ARG 16 24.687 5.085 -5.614
143 HE ARG 16 HE ARG 16 27.184 3.809 -6.074
144 HH11 ARG 16 HH11 ARG 16 24.282 3.462 -4.126
145 HH12 ARG 16 HH12 ARG 16 24.517 1.767 -3.873
146 HH21 ARG 16 HH21 ARG 16 27.492 1.597 -5.721
147 HH22 ARG 16 HH22 ARG 16 26.358 0.709 -4.760
148 H LYS 17 HN LYS 17 27.663 8.777 -8.992
149 HA LYS 17 HA LYS 17 27.362 8.159 -11.143
150 HB2 LYS 17 HB2 LYS 17 26.955 5.975 -9.986
151 HB3 LYS 17 HB1 LYS 17 25.232 6.307 -9.986
152 HG2 LYS 17 HG2 LYS 17 25.095 6.068 -12.372
153 HG3 LYS 17 HG1 LYS 17 26.852 6.057 -12.541
154 HD2 LYS 17 HD2 LYS 17 25.779 3.786 -12.774
155 HD3 LYS 17 HD1 LYS 17 27.013 3.873 -11.517
156 HE2 LYS 17 HE2 LYS 17 25.025 2.578 -10.802
157 HE3 LYS 17 HE1 LYS 17 25.292 3.990 -9.784
158 HZ1 LYS 17 HZ1 LYS 17 23.284 3.732 -11.950
159 HZ2 LYS 17 HZ2 LYS 17 23.563 5.139 -11.057
160 HZ3 LYS 17 HZ3 LYS 17 22.981 3.752 -10.291
161 H GLY 18 HN GLY 18 25.934 10.456 -10.167
162 HA2 GLY 18 HA2 GLY 18 24.796 12.101 -11.372
163 HA3 GLY 18 HA1 GLY 18 24.096 10.875 -12.409
164 H LYS 19 HN LYS 19 23.823 10.087 -9.128
165 HA LYS 19 HA LYS 19 21.094 11.230 -8.872
166 HB2 LYS 19 HB2 LYS 19 22.058 8.440 -8.085
167 HB3 LYS 19 HB1 LYS 19 20.509 9.118 -7.586
168 HG2 LYS 19 HG2 LYS 19 21.352 8.692 -10.466
169 HG3 LYS 19 HG1 LYS 19 20.360 7.557 -9.543
170 HD2 LYS 19 HD2 LYS 19 19.629 10.436 -10.251
171 HD3 LYS 19 HD1 LYS 19 18.978 8.987 -11.018
172 HE2 LYS 19 HE2 LYS 19 17.895 8.328 -8.920
173 HE3 LYS 19 HE1 LYS 19 18.619 9.706 -8.085
174 HZ1 LYS 19 HZ1 LYS 19 16.363 9.615 -9.922
175 HZ2 LYS 19 HZ2 LYS 19 17.378 10.963 -10.039
176 HZ3 LYS 19 HZ3 LYS 19 16.634 10.599 -8.568
177 H VAL 20 HN VAL 20 21.201 12.746 -7.307
178 HA VAL 20 HA VAL 20 23.164 12.754 -5.208
179 HB VAL 20 HB VAL 20 20.583 14.391 -5.273
180 HG11 VAL 20 HG11 VAL 20 23.198 14.910 -3.805
181 HG12 VAL 20 HG12 VAL 20 21.679 14.389 -3.070
182 HG13 VAL 20 HG13 VAL 20 21.795 15.984 -3.817
183 HG21 VAL 20 HG21 VAL 20 21.874 16.217 -6.335
184 HG22 VAL 20 HG22 VAL 20 21.810 14.787 -7.365
185 HG23 VAL 20 HG23 VAL 20 23.277 15.151 -6.461
186 H GLU 21 HN GLU 21 23.097 11.275 -3.627
187 HA GLU 21 HA GLU 21 20.503 10.255 -2.640
188 HB2 GLU 21 HB2 GLU 21 21.713 8.226 -1.919
189 HB3 GLU 21 HB1 GLU 21 21.849 8.496 -3.650
190 HG2 GLU 21 HG2 GLU 21 24.116 9.245 -3.443
191 HG3 GLU 21 HG1 GLU 21 23.998 9.259 -1.679
192 H TYR 22 HN TYR 22 20.283 9.807 -0.460
193 HA TYR 22 HA TYR 22 21.829 11.507 1.400
194 HB2 TYR 22 HB2 TYR 22 18.781 11.296 1.207
195 HB3 TYR 22 HB1 TYR 22 19.673 12.237 2.393
196 HD1 TYR 22 HD2 TYR 22 18.779 12.029 -1.219
197 HD2 TYR 22 HD1 TYR 22 20.458 14.459 1.866
198 HE1 TYR 22 HE2 TYR 22 18.704 13.976 -2.710
199 HE2 TYR 22 HE1 TYR 22 20.370 16.406 0.375
200 HH TYR 22 HH TYR 22 18.629 16.430 -2.542
201 H LEU 23 HN LEU 23 22.466 10.244 3.130
202 HA LEU 23 HA LEU 23 21.349 7.644 3.647
203 HB2 LEU 23 HB2 LEU 23 23.747 8.280 4.124
204 HB3 LEU 23 HB1 LEU 23 23.180 9.323 5.416
205 HG LEU 23 HG LEU 23 22.263 7.307 6.598
206 HD11 LEU 23 HD11 LEU 23 21.893 5.847 4.684
207 HD12 LEU 23 HD12 LEU 23 22.907 5.061 5.889
208 HD13 LEU 23 HD13 LEU 23 23.635 5.718 4.418
209 HD21 LEU 23 HD21 LEU 23 24.489 8.173 7.187
210 HD22 LEU 23 HD22 LEU 23 25.229 7.126 5.973
211 HD23 LEU 23 HD23 LEU 23 24.414 6.419 7.372
212 H VAL 24 HN VAL 24 19.130 8.141 3.898
213 HA VAL 24 HA VAL 24 18.133 10.040 5.770
214 HB VAL 24 HB VAL 24 16.709 7.713 4.413
215 HG11 VAL 24 HG11 VAL 24 15.451 8.358 6.416
216 HG12 VAL 24 HG12 VAL 24 14.585 8.881 4.971
217 HG13 VAL 24 HG13 VAL 24 15.491 10.055 5.929
218 HG21 VAL 24 HG21 VAL 24 17.603 9.360 2.810
219 HG22 VAL 24 HG22 VAL 24 16.775 10.662 3.670
220 HG23 VAL 24 HG23 VAL 24 15.838 9.411 2.849
221 H LYS 25 HN LYS 25 18.452 9.837 7.833
222 HA LYS 25 HA LYS 25 18.696 7.351 9.261
223 HB2 LYS 25 HB2 LYS 25 19.822 9.686 9.758
224 HB3 LYS 25 HB1 LYS 25 18.309 10.099 10.536
225 HG2 LYS 25 HG2 LYS 25 20.261 7.906 11.339
226 HG3 LYS 25 HG1 LYS 25 19.940 9.415 12.197
227 HD2 LYS 25 HD2 LYS 25 17.567 8.582 12.563
228 HD3 LYS 25 HD1 LYS 25 18.074 7.032 11.887
229 HE2 LYS 25 HE2 LYS 25 18.126 6.939 14.324
230 HE3 LYS 25 HE1 LYS 25 19.766 6.816 13.690
231 HZ1 LYS 25 HZ1 LYS 25 18.546 9.318 14.747
232 HZ2 LYS 25 HZ2 LYS 25 20.149 9.113 14.250
233 HZ3 LYS 25 HZ3 LYS 25 19.581 8.304 15.620
234 H TRP 26 HN TRP 26 16.932 6.159 9.705
235 HA TRP 26 HA TRP 26 14.236 7.298 9.908
236 HB2 TRP 26 HB2 TRP 26 15.076 4.367 10.204
237 HB3 TRP 26 HB1 TRP 26 13.470 4.984 9.821
238 HD1 TRP 26 HD1 TRP 26 16.898 4.351 8.240
239 HE1 TRP 26 HE1 TRP 26 16.701 4.504 5.677
240 HE3 TRP 26 HE3 TRP 26 12.060 5.911 7.881
241 HZ2 TRP 26 HZ2 TRP 26 14.770 5.186 3.774
242 HZ3 TRP 26 HZ3 TRP 26 11.104 6.270 5.642
243 HH2 TRP 26 HH2 TRP 26 12.432 5.913 3.624
244 H LYS 27 HN LYS 27 13.314 7.738 11.945
245 HA LYS 27 HA LYS 27 15.289 8.021 13.993
246 HB2 LYS 27 HB2 LYS 27 13.441 9.676 13.394
247 HB3 LYS 27 HB1 LYS 27 12.343 8.654 14.314
248 HG2 LYS 27 HG2 LYS 27 13.497 9.087 16.362
249 HG3 LYS 27 HG1 LYS 27 14.889 9.765 15.515
250 HD2 LYS 27 HD2 LYS 27 13.435 11.677 14.777
251 HD3 LYS 27 HD1 LYS 27 12.134 11.025 15.781
252 HE2 LYS 27 HE2 LYS 27 13.313 12.810 16.976
253 HE3 LYS 27 HE1 LYS 27 13.593 11.271 17.786
254 HZ1 LYS 27 HZ1 LYS 27 15.470 12.676 15.966
255 HZ2 LYS 27 HZ2 LYS 27 15.750 11.154 16.639
256 HZ3 LYS 27 HZ3 LYS 27 15.627 12.511 17.640
257 H GLY 28 HN GLY 28 12.407 5.970 13.718
258 HA2 GLY 28 HA2 GLY 28 12.565 4.861 16.370
259 HA3 GLY 28 HA1 GLY 28 11.600 4.259 15.037
260 H TRP 29 HN TRP 29 14.415 4.370 13.605
261 HA TRP 29 HA TRP 29 15.204 1.602 14.288
262 HB2 TRP 29 HB2 TRP 29 15.488 3.194 11.684
263 HB3 TRP 29 HB1 TRP 29 16.067 1.545 11.924
264 HD1 TRP 29 HD1 TRP 29 12.672 3.484 11.909
265 HE1 TRP 29 HE1 TRP 29 10.822 1.852 11.182
266 HE3 TRP 29 HE3 TRP 29 15.458 -0.794 11.521
267 HZ2 TRP 29 HZ2 TRP 29 10.570 -0.871 10.514
268 HZ3 TRP 29 HZ3 TRP 29 14.334 -2.867 10.818
269 HH2 TRP 29 HH2 TRP 29 11.939 -2.908 10.325
270 HA PRO 30 HA PRO 30 19.182 3.248 15.608
271 HB2 PRO 30 HB2 PRO 30 20.850 1.122 15.091
272 HB3 PRO 30 HB1 PRO 30 19.701 1.135 16.435
273 HG2 PRO 30 HG2 PRO 30 19.422 -0.117 13.711
274 HG3 PRO 30 HG1 PRO 30 19.025 -0.809 15.298
275 HD2 PRO 30 HD2 PRO 30 17.118 0.237 13.678
276 HD3 PRO 30 HD1 PRO 30 17.008 0.365 15.448
277 HA PRO 31 HA PRO 31 21.076 5.179 12.076
278 HB2 PRO 31 HB2 PRO 31 23.761 5.379 12.745
279 HB3 PRO 31 HB1 PRO 31 22.494 6.399 13.440
280 HG2 PRO 31 HG2 PRO 31 23.736 3.889 14.562
281 HG3 PRO 31 HG1 PRO 31 23.404 5.429 15.383
282 HD2 PRO 31 HD2 PRO 31 21.752 3.334 15.691
283 HD3 PRO 31 HD1 PRO 31 21.096 4.983 15.563
284 H LYS 32 HN LYS 32 22.265 2.019 12.949
285 HA LYS 32 HA LYS 32 23.771 1.484 10.569
286 HB2 LYS 32 HB2 LYS 32 23.584 -0.916 11.266
287 HB3 LYS 32 HB1 LYS 32 24.178 0.143 12.539
288 HG2 LYS 32 HG2 LYS 32 21.928 0.147 13.579
289 HG3 LYS 32 HG1 LYS 32 21.346 -0.936 12.316
290 HD2 LYS 32 HD2 LYS 32 23.663 -1.698 14.137
291 HD3 LYS 32 HD1 LYS 32 21.987 -1.963 14.607
292 HE2 LYS 32 HE2 LYS 32 22.876 -4.017 13.699
293 HE3 LYS 32 HE1 LYS 32 21.675 -3.385 12.580
294 HZ1 LYS 32 HZ1 LYS 32 24.620 -3.120 12.267
295 HZ2 LYS 32 HZ2 LYS 32 23.446 -2.588 11.170
296 HZ3 LYS 32 HZ3 LYS 32 23.639 -4.237 11.462
297 H TYR 33 HN TYR 33 20.345 1.232 11.387
298 HA TYR 33 HA TYR 33 19.648 -0.077 8.859
299 HB2 TYR 33 HB2 TYR 33 18.117 0.625 11.377
300 HB3 TYR 33 HB1 TYR 33 17.213 0.361 9.891
301 HD1 TYR 33 HD1 TYR 33 19.450 -1.273 12.374
302 HD2 TYR 33 HD2 TYR 33 16.935 -1.867 8.976
303 HE1 TYR 33 HE1 TYR 33 19.542 -3.700 12.735
304 HE2 TYR 33 HE2 TYR 33 17.024 -4.296 9.335
305 HH TYR 33 HH TYR 33 18.544 -5.954 10.424
306 H SER 34 HN SER 34 20.560 2.962 9.458
307 HA SER 34 HA SER 34 18.644 4.457 7.915
308 HB2 SER 34 HB2 SER 34 21.560 5.074 8.542
309 HB3 SER 34 HB1 SER 34 20.365 6.225 7.930
310 HG SER 34 HG SER 34 19.693 4.836 10.249
311 H THR 35 HN THR 35 18.607 4.731 5.681
312 HA THR 35 HA THR 35 20.552 3.158 4.070
313 HB THR 35 HB THR 35 18.476 2.723 2.532
314 HG1 THR 35 HG1 THR 35 16.956 4.037 3.479
315 HG21 THR 35 HG21 THR 35 19.539 0.915 3.853
316 HG22 THR 35 HG22 THR 35 17.782 0.733 3.802
317 HG23 THR 35 HG23 THR 35 18.561 1.379 5.248
318 H TRP 36 HN TRP 36 20.388 3.801 1.625
319 HA TRP 36 HA TRP 36 20.734 6.723 1.509
320 HB2 TRP 36 HB2 TRP 36 21.748 4.519 -0.337
321 HB3 TRP 36 HB1 TRP 36 22.011 6.240 -0.609
322 HD1 TRP 36 HD1 TRP 36 23.313 3.311 1.461
323 HE1 TRP 36 HE1 TRP 36 25.420 4.060 2.723
324 HE3 TRP 36 HE3 TRP 36 23.099 8.351 0.541
325 HZ2 TRP 36 HZ2 TRP 36 26.811 6.442 3.274
326 HZ3 TRP 36 HZ3 TRP 36 24.860 9.794 1.485
327 HH2 TRP 36 HH2 TRP 36 26.680 8.856 2.825
328 H GLU 37 HN GLU 37 18.660 7.439 1.180
329 HA GLU 37 HA GLU 37 17.171 6.609 -1.222
330 HB2 GLU 37 HB2 GLU 37 16.480 8.371 1.150
331 HB3 GLU 37 HB1 GLU 37 15.466 8.324 -0.285
332 HG2 GLU 37 HG2 GLU 37 14.597 6.906 1.507
333 HG3 GLU 37 HG1 GLU 37 14.987 5.992 0.053
334 HA PRO 38 HA PRO 38 19.006 10.242 -3.304
335 HB2 PRO 38 HB2 PRO 38 17.737 9.936 -5.710
336 HB3 PRO 38 HB1 PRO 38 19.134 8.960 -5.235
337 HG2 PRO 38 HG2 PRO 38 16.197 8.267 -5.078
338 HG3 PRO 38 HG1 PRO 38 17.543 7.278 -5.680
339 HD2 PRO 38 HD2 PRO 38 16.530 6.939 -3.186
340 HD3 PRO 38 HD1 PRO 38 18.263 6.709 -3.528
341 H GLU 39 HN GLU 39 18.102 12.197 -4.385
342 HA GLU 39 HA GLU 39 16.023 13.494 -3.060
343 HB2 GLU 39 HB2 GLU 39 16.073 15.032 -5.247
344 HB3 GLU 39 HB1 GLU 39 17.401 15.039 -4.102
345 HG2 GLU 39 HG2 GLU 39 18.126 15.038 -6.487
346 HG3 GLU 39 HG1 GLU 39 18.776 13.697 -5.551
347 H GLU 40 HN GLU 40 15.944 11.422 -5.782
348 HA GLU 40 HA GLU 40 13.444 11.795 -6.929
349 HB2 GLU 40 HB2 GLU 40 15.279 10.359 -7.793
350 HB3 GLU 40 HB1 GLU 40 15.034 9.238 -6.460
351 HG2 GLU 40 HG2 GLU 40 12.742 8.752 -7.378
352 HG3 GLU 40 HG1 GLU 40 13.137 9.764 -8.770
353 H HIS 41 HN HIS 41 14.382 10.135 -3.979
354 HA HIS 41 HA HIS 41 11.695 9.034 -3.482
355 HB2 HIS 41 HB2 HIS 41 14.413 8.444 -2.222
356 HB3 HIS 41 HB1 HIS 41 12.901 7.758 -1.632
357 HD1 HIS 41 HD1 HIS 41 13.472 5.334 -2.205
358 HD2 HIS 41 HD2 HIS 41 13.729 7.872 -5.485
359 HE1 HIS 41 HE1 HIS 41 13.736 3.828 -4.205
360 HE2 HIS 41 HE2 HIS 41 13.899 5.387 -6.180
361 H ILE 42 HN ILE 42 13.803 11.598 -2.458
362 HA ILE 42 HA ILE 42 12.728 12.037 0.169
363 HB ILE 42 HB ILE 42 14.169 14.009 -1.667
364 HG12 ILE 42 HG12 ILE 42 15.604 12.087 -1.159
365 HG13 ILE 42 HG11 ILE 42 16.203 13.515 -0.334
366 HG21 ILE 42 HG21 ILE 42 13.657 14.231 1.321
367 HG22 ILE 42 HG22 ILE 42 12.905 15.208 0.059
368 HG23 ILE 42 HG23 ILE 42 14.637 15.338 0.358
369 HD11 ILE 42 HD11 ILE 42 16.394 11.563 1.057
370 HD12 ILE 42 HD12 ILE 42 14.666 11.242 0.919
371 HD13 ILE 42 HD13 ILE 42 15.234 12.687 1.763
372 H LEU 43 HN LEU 43 10.676 12.658 0.549
373 HA LEU 43 HA LEU 43 9.000 13.838 -1.519
374 HB2 LEU 43 HB2 LEU 43 8.281 13.242 1.385
375 HB3 LEU 43 HB1 LEU 43 7.162 13.528 0.055
376 HG LEU 43 HG LEU 43 8.915 11.089 0.515
377 HD11 LEU 43 HD11 LEU 43 6.799 9.858 0.592
378 HD12 LEU 43 HD12 LEU 43 5.894 11.356 0.356
379 HD13 LEU 43 HD13 LEU 43 6.850 11.121 1.822
380 HD21 LEU 43 HD21 LEU 43 7.265 11.749 -1.938
381 HD22 LEU 43 HD22 LEU 43 8.008 10.190 -1.588
382 HD23 LEU 43 HD23 LEU 43 9.020 11.598 -1.838
383 H ASP 44 HN ASP 44 10.264 14.697 1.668
384 HA ASP 44 HA ASP 44 8.768 17.213 1.717
385 HB2 ASP 44 HB2 ASP 44 8.728 15.505 3.615
386 HB3 ASP 44 HB1 ASP 44 10.407 15.918 3.935
387 HA PRO 45 HA PRO 45 12.561 19.482 0.663
388 HB2 PRO 45 HB2 PRO 45 11.722 22.024 1.232
389 HB3 PRO 45 HB1 PRO 45 11.169 21.139 -0.196
390 HG2 PRO 45 HG2 PRO 45 9.787 21.477 2.472
391 HG3 PRO 45 HG1 PRO 45 9.111 21.655 0.839
392 HD2 PRO 45 HD2 PRO 45 8.760 19.393 2.286
393 HD3 PRO 45 HD1 PRO 45 8.942 19.345 0.515
394 H ARG 46 HN ARG 46 10.937 20.004 3.767
395 HA ARG 46 HA ARG 46 13.080 21.364 5.111
396 HB2 ARG 46 HB2 ARG 46 10.637 19.926 6.241
397 HB3 ARG 46 HB1 ARG 46 11.671 21.030 7.144
398 HG2 ARG 46 HG2 ARG 46 10.891 22.925 5.968
399 HG3 ARG 46 HG1 ARG 46 10.245 21.953 4.642
400 HD2 ARG 46 HD2 ARG 46 9.119 21.901 7.465
401 HD3 ARG 46 HD1 ARG 46 8.507 22.939 6.173
402 HE ARG 46 HE ARG 46 8.607 20.130 5.468
403 HH11 ARG 46 HH11 ARG 46 6.607 22.556 7.068
404 HH12 ARG 46 HH12 ARG 46 5.119 21.768 6.646
405 HH21 ARG 46 HH21 ARG 46 6.641 19.142 4.912
406 HH22 ARG 46 HH22 ARG 46 5.141 19.825 5.447
407 H LEU 47 HN LEU 47 12.369 18.050 4.467
408 HA LEU 47 HA LEU 47 13.784 16.687 6.464
409 HB2 LEU 47 HB2 LEU 47 12.327 15.552 4.889
410 HB3 LEU 47 HB1 LEU 47 13.312 16.056 3.532
411 HG LEU 47 HG LEU 47 15.079 14.510 4.133
412 HD11 LEU 47 HD11 LEU 47 14.920 12.984 6.051
413 HD12 LEU 47 HD12 LEU 47 13.485 13.844 6.615
414 HD13 LEU 47 HD13 LEU 47 15.044 14.671 6.544
415 HD21 LEU 47 HD21 LEU 47 13.208 13.589 2.819
416 HD22 LEU 47 HD22 LEU 47 12.390 13.101 4.304
417 HD23 LEU 47 HD23 LEU 47 13.927 12.357 3.857
418 H VAL 48 HN VAL 48 14.960 17.953 3.333
419 HA VAL 48 HA VAL 48 17.752 17.329 3.905
420 HB VAL 48 HB VAL 48 16.511 18.827 1.552
421 HG11 VAL 48 HG11 VAL 48 19.340 17.741 1.854
422 HG12 VAL 48 HG12 VAL 48 18.882 19.446 1.813
423 HG13 VAL 48 HG13 VAL 48 18.668 18.439 0.379
424 HG21 VAL 48 HG21 VAL 48 15.740 16.486 1.664
425 HG22 VAL 48 HG22 VAL 48 17.414 15.927 1.740
426 HG23 VAL 48 HG23 VAL 48 16.817 16.723 0.282
427 H MET 49 HN MET 49 15.636 20.143 3.779
428 HA MET 49 HA MET 49 17.598 22.182 3.919
429 HB2 MET 49 HB2 MET 49 14.614 22.153 4.476
430 HB3 MET 49 HB1 MET 49 15.572 23.612 4.712
431 HG2 MET 49 HG2 MET 49 16.242 23.521 2.324
432 HG3 MET 49 HG1 MET 49 15.185 22.117 2.112
433 HE1 MET 49 HE1 MET 49 13.249 25.091 0.330
434 HE2 MET 49 HE2 MET 49 13.954 23.491 0.101
435 HE3 MET 49 HE3 MET 49 14.998 24.881 0.404
436 H ALA 50 HN ALA 50 15.951 20.361 6.456
437 HA ALA 50 HA ALA 50 16.742 21.911 8.705
438 HB1 ALA 50 HB1 ALA 50 16.275 19.877 10.034
439 HB2 ALA 50 HB2 ALA 50 16.204 18.918 8.552
440 HB3 ALA 50 HB3 ALA 50 14.994 20.165 8.854
441 H TYR 51 HN TYR 51 18.188 19.150 7.040
442 HA TYR 51 HA TYR 51 20.415 18.652 8.674
443 HB2 TYR 51 HB2 TYR 51 19.702 16.986 7.109
444 HB3 TYR 51 HB1 TYR 51 19.777 18.106 5.758
445 HD1 TYR 51 HD2 TYR 51 22.090 16.595 8.323
446 HD2 TYR 51 HD1 TYR 51 21.555 17.863 4.283
447 HE1 TYR 51 HE2 TYR 51 24.330 15.749 7.759
448 HE2 TYR 51 HE1 TYR 51 23.782 17.020 3.713
449 HH TYR 51 HH TYR 51 25.881 16.490 4.795
450 H GLU 52 HN GLU 52 19.996 20.912 5.970
451 HA GLU 52 HA GLU 52 22.827 21.712 6.053
452 HB2 GLU 52 HB2 GLU 52 20.679 22.450 4.026
453 HB3 GLU 52 HB1 GLU 52 22.397 22.833 3.918
454 HG2 GLU 52 HG2 GLU 52 22.872 20.363 3.899
455 HG3 GLU 52 HG1 GLU 52 21.134 20.082 3.799
456 H GLU 53 HN GLU 53 20.014 22.690 7.516
457 HA GLU 53 HA GLU 53 19.312 24.472 8.699
458 HB2 GLU 53 HB2 GLU 53 22.153 25.423 8.240
459 HB3 GLU 53 HB1 GLU 53 20.989 26.436 9.088
460 HG2 GLU 53 HG2 GLU 53 21.811 23.640 9.926
461 HG3 GLU 53 HG1 GLU 53 22.453 25.133 10.607
462 H LYS 54 HN LYS 54 19.218 24.349 5.657
463 HA LYS 54 HA LYS 54 18.538 27.106 4.977
464 HB2 LYS 54 HB2 LYS 54 18.606 24.530 3.367
465 HB3 LYS 54 HB1 LYS 54 17.740 25.934 2.756
466 HG2 LYS 54 HG2 LYS 54 19.897 26.002 1.758
467 HG3 LYS 54 HG1 LYS 54 19.859 27.272 2.983
468 HD2 LYS 54 HD2 LYS 54 21.017 25.581 4.541
469 HD3 LYS 54 HD1 LYS 54 21.274 24.590 3.103
470 HE2 LYS 54 HE2 LYS 54 22.333 27.389 3.606
471 HE3 LYS 54 HE1 LYS 54 23.268 25.895 3.548
472 HZ1 LYS 54 HZ1 LYS 54 22.643 25.681 1.200
473 HZ2 LYS 54 HZ2 LYS 54 23.512 27.097 1.507
474 HZ3 LYS 54 HZ3 LYS 54 21.837 27.167 1.273
475 H GLU 55 HN GLU 55 17.002 24.822 6.793
476 HA GLU 55 HA GLU 55 14.295 25.231 5.980
477 HB2 GLU 55 HB2 GLU 55 13.663 24.421 8.210
478 HB3 GLU 55 HB1 GLU 55 14.934 23.405 7.544
479 HG2 GLU 55 HG2 GLU 55 16.583 24.341 9.007
480 HG3 GLU 55 HG1 GLU 55 15.501 25.634 9.520
481 H GLU 56 HN GLU 56 16.622 27.078 7.763
482 HA GLU 56 HA GLU 56 14.988 29.165 8.767
483 HB2 GLU 56 HB2 GLU 56 17.293 28.832 9.568
484 HB3 GLU 56 HB1 GLU 56 17.931 29.086 7.946
485 HG2 GLU 56 HG2 GLU 56 17.084 31.458 8.064
486 HG3 GLU 56 HG1 GLU 56 16.635 31.157 9.743
487 H1 ALA 1 HT1 ALA 1 0.252 23.952 11.792
488 H2 ALA 1 HT2 ALA 1 1.599 23.600 10.833
489 H3 ALA 1 HT3 ALA 1 1.784 23.814 12.496
490 HA ALA 1 HA ALA 1 0.545 21.857 12.964
491 HB1 ALA 1 HB1 ALA 1 -0.261 20.392 11.145
492 HB2 ALA 1 HB2 ALA 1 0.274 21.577 9.950
493 HB3 ALA 1 HB3 ALA 1 -1.025 21.983 11.073
494 H ARG 2 HN ARG 2 1.726 19.969 13.292
495 HA ARG 2 HA ARG 2 4.456 19.876 12.174
496 HB2 ARG 2 HB2 ARG 2 4.179 19.813 14.657
497 HB3 ARG 2 HB1 ARG 2 3.223 18.343 14.507
498 HG2 ARG 2 HG2 ARG 2 5.252 17.223 13.487
499 HG3 ARG 2 HG1 ARG 2 6.173 18.682 13.859
500 HD2 ARG 2 HD2 ARG 2 6.571 17.052 15.591
501 HD3 ARG 2 HD1 ARG 2 5.601 18.359 16.279
502 HE ARG 2 HE ARG 2 3.751 16.530 15.473
503 HH11 ARG 2 HH11 ARG 2 6.497 16.374 17.672
504 HH12 ARG 2 HH12 ARG 2 5.848 15.031 18.554
505 HH21 ARG 2 HH21 ARG 2 2.925 14.794 16.645
506 HH22 ARG 2 HH22 ARG 2 3.822 14.148 17.984
507 H THR 3 HN THR 3 4.355 18.836 10.236
508 HA THR 3 HA THR 3 3.061 16.176 10.090
509 HB THR 3 HB THR 3 2.359 17.639 8.263
510 HG1 THR 3 HG1 THR 3 4.183 15.937 6.947
511 HG21 THR 3 HG21 THR 3 5.293 17.921 7.519
512 HG22 THR 3 HG22 THR 3 4.254 19.201 8.148
513 HG23 THR 3 HG23 THR 3 3.926 18.507 6.560
514 H LYS 4 HN LYS 4 4.289 14.345 9.828
515 HA LYS 4 HA LYS 4 7.112 14.474 10.350
516 HB2 LYS 4 HB2 LYS 4 5.392 12.082 9.566
517 HB3 LYS 4 HB1 LYS 4 7.069 11.988 10.105
518 HG2 LYS 4 HG2 LYS 4 6.353 12.993 12.293
519 HG3 LYS 4 HG1 LYS 4 4.676 12.904 11.742
520 HD2 LYS 4 HD2 LYS 4 6.584 10.570 12.198
521 HD3 LYS 4 HD1 LYS 4 5.183 10.995 13.185
522 HE2 LYS 4 HE2 LYS 4 5.124 10.012 10.308
523 HE3 LYS 4 HE1 LYS 4 4.669 9.089 11.738
524 HZ1 LYS 4 HZ1 LYS 4 2.718 9.919 10.638
525 HZ2 LYS 4 HZ2 LYS 4 3.291 11.511 10.699
526 HZ3 LYS 4 HZ3 LYS 4 2.878 10.696 12.123
527 H GLN 5 HN GLN 5 8.451 15.132 8.829
528 HA GLN 5 HA GLN 5 8.374 14.906 6.076
529 HB2 GLN 5 HB2 GLN 5 10.846 15.163 6.120
530 HB3 GLN 5 HB1 GLN 5 10.056 16.296 7.199
531 HG2 GLN 5 HG2 GLN 5 11.389 13.738 8.115
532 HG3 GLN 5 HG1 GLN 5 12.188 15.299 8.073
533 HE21 GLN 5 HE21 GLN 5 11.639 13.479 10.315
534 HE22 GLN 5 HE22 GLN 5 10.769 14.417 11.474
535 H THR 6 HN THR 6 9.242 13.339 4.572
536 HA THR 6 HA THR 6 9.654 10.606 5.540
537 HB THR 6 HB THR 6 7.262 11.240 3.756
538 HG1 THR 6 HG1 THR 6 7.528 11.032 6.536
539 HG21 THR 6 HG21 THR 6 6.594 8.904 4.211
540 HG22 THR 6 HG22 THR 6 8.071 8.661 5.145
541 HG23 THR 6 HG23 THR 6 8.166 8.961 3.406
542 H ALA 7 HN ALA 7 10.445 9.164 4.033
543 HA ALA 7 HA ALA 7 10.852 9.967 1.233
544 HB1 ALA 7 HB1 ALA 7 13.039 8.807 3.015
545 HB2 ALA 7 HB2 ALA 7 12.981 10.458 2.395
546 HB3 ALA 7 HB3 ALA 7 13.175 9.105 1.278
547 H ARG 8 HN ARG 8 10.743 8.183 -0.198
548 HA ARG 8 HA ARG 8 9.787 5.621 0.823
549 HB2 ARG 8 HB2 ARG 8 10.356 6.617 -2.003
550 HB3 ARG 8 HB1 ARG 8 9.985 4.931 -1.682
551 HG2 ARG 8 HG2 ARG 8 7.988 6.015 -2.447
552 HG3 ARG 8 HG1 ARG 8 7.786 5.620 -0.740
553 HD2 ARG 8 HD2 ARG 8 8.324 7.976 -0.166
554 HD3 ARG 8 HD1 ARG 8 8.470 8.348 -1.886
555 HE ARG 8 HE ARG 8 5.997 7.738 -0.404
556 HH11 ARG 8 HH11 ARG 8 7.469 8.714 -3.460
557 HH12 ARG 8 HH12 ARG 8 5.976 9.312 -4.109
558 HH21 ARG 8 HH21 ARG 8 4.066 8.484 -1.284
559 HH22 ARG 8 HH22 ARG 8 4.048 9.180 -2.870
560 H M3L 9 HN M3L 9 11.055 3.779 1.108
561 HA M3L 9 HA M3L 9 13.863 4.082 1.234
562 HB2 M3L 9 HB2 M3L 9 12.200 1.538 1.307
563 HB3 M3L 9 HB1 M3L 9 13.940 1.598 1.622
564 HG2 M3L 9 HG2 M3L 9 13.409 3.327 3.426
565 HG3 M3L 9 HG1 M3L 9 11.712 2.877 3.233
566 HD2 M3L 9 HD2 M3L 9 12.149 0.632 3.993
567 HD3 M3L 9 HD1 M3L 9 13.899 0.876 3.912
568 HE2 M3L 9 HE2 M3L 9 13.588 2.716 5.672
569 HE3 M3L 9 HE1 M3L 9 11.936 2.136 5.862
570 HM11 M3L 9 HH33 M3L 9 12.881 -1.158 7.330
571 HM12 M3L 9 HH31 M3L 9 12.571 -0.892 5.611
572 HM13 M3L 9 HH32 M3L 9 11.522 -0.155 6.822
573 HM21 M3L 9 HH11 M3L 9 13.733 0.716 8.754
574 HM22 M3L 9 HH12 M3L 9 12.382 1.736 8.248
575 HM23 M3L 9 HH13 M3L 9 14.044 2.303 8.040
576 HM31 M3L 9 HH21 M3L 9 15.246 -0.307 7.048
577 HM32 M3L 9 HH22 M3L 9 15.524 1.283 6.327
578 HM33 M3L 9 HH23 M3L 9 14.943 -0.053 5.325
579 H SER 10 HN SER 10 15.545 3.069 0.068
580 HA SER 10 HA SER 10 15.225 3.223 -2.777
581 HB2 SER 10 HB2 SER 10 17.296 3.951 -1.531
582 HB3 SER 10 HB1 SER 10 17.654 2.257 -1.205
583 HG SER 10 HG SER 10 18.719 3.171 -3.079
584 H THR 11 HN THR 11 13.649 1.628 -3.098
585 HA THR 11 HA THR 11 14.417 -1.205 -2.965
586 HB THR 11 HB THR 11 12.181 -0.676 -2.126
587 HG1 THR 11 HG1 THR 11 12.115 -2.626 -3.099
588 HG21 THR 11 HG21 THR 11 11.576 0.520 -4.855
589 HG22 THR 11 HG22 THR 11 11.716 1.413 -3.340
590 HG23 THR 11 HG23 THR 11 10.396 0.262 -3.563
591 H GLY 12 HN GLY 12 14.690 1.410 -5.040
592 HA2 GLY 12 HA2 GLY 12 15.542 1.525 -7.193
593 HA3 GLY 12 HA1 GLY 12 15.325 -0.209 -7.365
594 H GLY 13 HN GLY 13 12.989 -0.941 -7.498
595 HA2 GLY 13 HA2 GLY 13 10.936 -0.942 -8.524
596 HA3 GLY 13 HA1 GLY 13 10.946 0.816 -8.451
597 H LYS 14 HN LYS 14 9.986 0.839 -10.559
598 HA LYS 14 HA LYS 14 11.583 -0.011 -12.844
599 HB2 LYS 14 HB2 LYS 14 8.994 1.611 -12.758
600 HB3 LYS 14 HB1 LYS 14 9.766 0.993 -14.216
601 HG2 LYS 14 HG2 LYS 14 9.411 -1.324 -13.395
602 HG3 LYS 14 HG1 LYS 14 8.583 -0.683 -11.975
603 HD2 LYS 14 HD2 LYS 14 7.662 -0.247 -14.849
604 HD3 LYS 14 HD1 LYS 14 7.058 -1.523 -13.796
605 HE2 LYS 14 HE2 LYS 14 5.425 0.183 -13.679
606 HE3 LYS 14 HE1 LYS 14 6.341 0.346 -12.187
607 HZ1 LYS 14 HZ1 LYS 14 5.859 2.474 -13.219
608 HZ2 LYS 14 HZ2 LYS 14 6.703 2.027 -14.613
609 HZ3 LYS 14 HZ3 LYS 14 7.525 2.207 -13.145
610 H ALA 15 HN ALA 15 13.216 1.167 -13.546
611 HA ALA 15 HA ALA 15 13.192 4.014 -13.838
612 HB1 ALA 15 HB1 ALA 15 13.598 3.913 -11.401
613 HB2 ALA 15 HB2 ALA 15 15.000 4.559 -12.258
614 HB3 ALA 15 HB3 ALA 15 15.017 2.893 -11.679
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 9.750 3.985 -5.622
2 H2 GLY 1 HT2 GLY 1 8.067 4.135 -5.558
3 H3 GLY 1 HT3 GLY 1 8.802 2.661 -5.182
4 HA2 GLY 1 HA1 GLY 1 9.821 3.577 -3.243
5 HA3 GLY 1 HA2 GLY 1 9.166 5.156 -3.642
6 H GLU 2 HN GLU 2 8.603 2.186 -2.051
7 HA GLU 2 HA GLU 2 5.693 2.650 -1.762
8 HB2 GLU 2 HB2 GLU 2 7.343 0.139 -1.232
9 HB3 GLU 2 HB1 GLU 2 5.599 0.270 -1.000
10 HG2 GLU 2 HG2 GLU 2 5.233 0.567 -3.362
11 HG3 GLU 2 HG1 GLU 2 6.966 0.690 -3.667
12 H GLN 3 HN GLN 3 8.547 1.685 0.160
13 HA GLN 3 HA GLN 3 7.092 1.733 2.635
14 HB2 GLN 3 HB2 GLN 3 10.045 1.364 2.033
15 HB3 GLN 3 HB1 GLN 3 9.372 1.286 3.653
16 HG2 GLN 3 HG2 GLN 3 9.656 -0.954 2.896
17 HG3 GLN 3 HG1 GLN 3 7.925 -0.622 2.896
18 HE21 GLN 3 HE21 GLN 3 7.460 -2.250 1.369
19 HE22 GLN 3 HE22 GLN 3 7.948 -2.146 -0.282
20 H VAL 4 HN VAL 4 6.379 3.685 3.253
21 HA VAL 4 HA VAL 4 8.259 5.941 3.574
22 HB VAL 4 HB VAL 4 6.204 7.283 4.175
23 HG11 VAL 4 HG11 VAL 4 6.102 5.936 1.442
24 HG12 VAL 4 HG12 VAL 4 7.078 7.341 1.877
25 HG13 VAL 4 HG13 VAL 4 5.318 7.461 1.869
26 HG21 VAL 4 HG21 VAL 4 4.664 4.781 3.348
27 HG22 VAL 4 HG22 VAL 4 3.944 6.361 3.681
28 HG23 VAL 4 HG23 VAL 4 4.740 5.463 4.974
29 H PHE 5 HN PHE 5 9.099 6.398 5.537
30 HA PHE 5 HA PHE 5 7.893 5.244 7.986
31 HB2 PHE 5 HB2 PHE 5 10.782 5.015 7.054
32 HB3 PHE 5 HB1 PHE 5 10.387 4.934 8.765
33 HD1 PHE 5 HD1 PHE 5 9.667 3.282 5.478
34 HD2 PHE 5 HD2 PHE 5 9.702 2.884 9.735
35 HE1 PHE 5 HE1 PHE 5 9.211 0.874 5.269
36 HE2 PHE 5 HE2 PHE 5 9.247 0.479 9.505
37 HZ PHE 5 HZ PHE 5 9.000 -0.525 7.277
38 H ALA 6 HN ALA 6 8.228 6.376 9.866
39 HA ALA 6 HA ALA 6 8.532 9.176 9.847
40 HB1 ALA 6 HB1 ALA 6 8.493 8.995 12.304
41 HB2 ALA 6 HB2 ALA 6 8.736 7.250 12.186
42 HB3 ALA 6 HB3 ALA 6 7.249 7.979 11.575
43 H VAL 7 HN VAL 7 10.364 10.118 9.311
44 HA VAL 7 HA VAL 7 13.006 8.992 9.860
45 HB VAL 7 HB VAL 7 13.866 10.720 8.358
46 HG11 VAL 7 HG11 VAL 7 12.699 10.149 6.258
47 HG12 VAL 7 HG12 VAL 7 11.354 9.474 7.181
48 HG13 VAL 7 HG13 VAL 7 12.950 8.723 7.265
49 HG21 VAL 7 HG21 VAL 7 11.039 11.856 8.306
50 HG22 VAL 7 HG22 VAL 7 12.372 12.401 7.286
51 HG23 VAL 7 HG23 VAL 7 12.459 12.613 9.033
52 H GLU 8 HN GLU 8 14.608 10.113 11.032
53 HA GLU 8 HA GLU 8 13.874 12.365 12.710
54 HB2 GLU 8 HB2 GLU 8 15.498 10.721 13.581
55 HB3 GLU 8 HB1 GLU 8 16.582 11.050 12.236
56 HG2 GLU 8 HG2 GLU 8 17.384 12.190 14.214
57 HG3 GLU 8 HG1 GLU 8 16.868 13.366 13.016
58 H SER 9 HN SER 9 16.587 11.967 10.399
59 HA SER 9 HA SER 9 15.898 14.197 8.738
60 HB2 SER 9 HB2 SER 9 18.231 14.504 10.690
61 HB3 SER 9 HB1 SER 9 17.996 15.547 9.279
62 HG SER 9 HG SER 9 15.726 15.680 10.449
63 H ILE 10 HN ILE 10 18.030 14.711 7.359
64 HA ILE 10 HA ILE 10 18.975 12.272 6.152
65 HB ILE 10 HB ILE 10 19.915 15.145 5.686
66 HG12 ILE 10 HG12 ILE 10 17.520 15.007 5.245
67 HG13 ILE 10 HG11 ILE 10 18.383 15.179 3.726
68 HG21 ILE 10 HG21 ILE 10 21.522 13.506 4.843
69 HG22 ILE 10 HG22 ILE 10 20.738 14.344 3.504
70 HG23 ILE 10 HG23 ILE 10 20.252 12.696 3.920
71 HD11 ILE 10 HD11 ILE 10 16.567 13.631 3.495
72 HD12 ILE 10 HD12 ILE 10 17.171 12.646 4.825
73 HD13 ILE 10 HD13 ILE 10 18.093 12.765 3.321
74 H ARG 11 HN ARG 11 20.534 11.102 7.138
75 HA ARG 11 HA ARG 11 22.329 12.073 9.123
76 HB2 ARG 11 HB2 ARG 11 21.394 9.640 8.660
77 HB3 ARG 11 HB1 ARG 11 22.769 9.494 7.583
78 HG2 ARG 11 HG2 ARG 11 22.921 10.042 10.573
79 HG3 ARG 11 HG1 ARG 11 23.148 8.468 9.811
80 HD2 ARG 11 HD2 ARG 11 25.125 9.387 8.601
81 HD3 ARG 11 HD1 ARG 11 24.906 10.918 9.458
82 HE ARG 11 HE ARG 11 25.142 8.676 11.237
83 HH11 ARG 11 HH11 ARG 11 26.984 11.026 9.413
84 HH12 ARG 11 HH12 ARG 11 28.420 10.810 10.351
85 HH21 ARG 11 HH21 ARG 11 27.020 8.415 12.467
86 HH22 ARG 11 HH22 ARG 11 28.448 9.317 12.076
87 H LYS 12 HN LYS 12 22.845 11.037 5.710
88 HA LYS 12 HA LYS 12 25.045 12.981 5.406
89 HB2 LYS 12 HB2 LYS 12 25.243 10.050 4.561
90 HB3 LYS 12 HB1 LYS 12 26.365 11.311 4.051
91 HG2 LYS 12 HG2 LYS 12 26.967 11.673 6.453
92 HG3 LYS 12 HG1 LYS 12 25.942 10.296 6.878
93 HD2 LYS 12 HD2 LYS 12 27.356 8.782 5.604
94 HD3 LYS 12 HD1 LYS 12 28.298 10.133 4.959
95 HE2 LYS 12 HE2 LYS 12 28.174 9.285 7.875
96 HE3 LYS 12 HE1 LYS 12 29.516 8.995 6.765
97 HZ1 LYS 12 HZ1 LYS 12 30.046 10.883 8.081
98 HZ2 LYS 12 HZ2 LYS 12 28.559 11.622 7.770
99 HZ3 LYS 12 HZ3 LYS 12 29.694 11.458 6.527
100 H LYS 13 HN LYS 13 25.506 13.485 3.157
101 HA LYS 13 HA LYS 13 23.446 12.907 1.184
102 HB2 LYS 13 HB2 LYS 13 22.405 14.774 2.328
103 HB3 LYS 13 HB1 LYS 13 23.903 15.699 2.334
104 HG2 LYS 13 HG2 LYS 13 23.784 16.049 -0.055
105 HG3 LYS 13 HG1 LYS 13 22.427 14.930 -0.209
106 HD2 LYS 13 HD2 LYS 13 20.944 16.441 0.934
107 HD3 LYS 13 HD1 LYS 13 22.279 17.477 1.436
108 HE2 LYS 13 HE2 LYS 13 21.524 17.068 -1.475
109 HE3 LYS 13 HE1 LYS 13 20.857 18.361 -0.477
110 HZ1 LYS 13 HZ1 LYS 13 23.083 19.189 -0.096
111 HZ2 LYS 13 HZ2 LYS 13 22.755 19.114 -1.755
112 HZ3 LYS 13 HZ3 LYS 13 23.746 17.946 -1.037
113 H ARG 14 HN ARG 14 24.219 13.023 -0.833
114 HA ARG 14 HA ARG 14 26.674 14.251 -1.663
115 HB2 ARG 14 HB2 ARG 14 27.798 11.987 -2.204
116 HB3 ARG 14 HB1 ARG 14 27.813 12.486 -0.514
117 HG2 ARG 14 HG2 ARG 14 26.045 10.975 0.053
118 HG3 ARG 14 HG1 ARG 14 25.733 10.595 -1.641
119 HD2 ARG 14 HD2 ARG 14 28.478 10.034 -0.553
120 HD3 ARG 14 HD1 ARG 14 27.154 8.978 -0.062
121 HE ARG 14 HE ARG 14 26.828 9.014 -2.718
122 HH11 ARG 14 HH11 ARG 14 29.784 8.490 -0.875
123 HH12 ARG 14 HH12 ARG 14 30.409 7.347 -2.017
124 HH21 ARG 14 HH21 ARG 14 27.633 7.520 -4.152
125 HH22 ARG 14 HH22 ARG 14 29.203 6.824 -3.898
126 H VAL 15 HN VAL 15 27.288 12.960 -3.903
127 HA VAL 15 HA VAL 15 24.832 12.181 -5.335
128 HB VAL 15 HB VAL 15 25.252 14.593 -5.825
129 HG11 VAL 15 HG11 VAL 15 27.689 14.682 -5.559
130 HG12 VAL 15 HG12 VAL 15 27.210 15.333 -7.128
131 HG13 VAL 15 HG13 VAL 15 27.902 13.712 -7.018
132 HG21 VAL 15 HG21 VAL 15 25.692 12.771 -8.219
133 HG22 VAL 15 HG22 VAL 15 25.168 14.454 -8.304
134 HG23 VAL 15 HG23 VAL 15 24.137 13.248 -7.534
135 H ARG 16 HN ARG 16 25.144 10.473 -6.723
136 HA ARG 16 HA ARG 16 27.838 9.814 -7.668
137 HB2 ARG 16 HB2 ARG 16 27.187 8.384 -5.605
138 HB3 ARG 16 HB1 ARG 16 25.982 7.632 -6.638
139 HG2 ARG 16 HG2 ARG 16 27.953 6.238 -6.564
140 HG3 ARG 16 HG1 ARG 16 27.801 6.913 -8.191
141 HD2 ARG 16 HD2 ARG 16 29.448 8.682 -7.564
142 HD3 ARG 16 HD1 ARG 16 29.644 7.911 -5.987
143 HE ARG 16 HE ARG 16 30.166 6.046 -8.041
144 HH11 ARG 16 HH11 ARG 16 31.622 8.875 -6.534
145 HH12 ARG 16 HH12 ARG 16 33.240 8.389 -6.928
146 HH21 ARG 16 HH21 ARG 16 32.286 5.449 -8.558
147 HH22 ARG 16 HH22 ARG 16 33.610 6.454 -8.071
148 H LYS 17 HN LYS 17 27.858 9.274 -9.746
149 HA LYS 17 HA LYS 17 27.265 9.014 -11.901
150 HB2 LYS 17 HB2 LYS 17 25.036 7.352 -10.677
151 HB3 LYS 17 HB1 LYS 17 25.376 7.415 -12.405
152 HG2 LYS 17 HG2 LYS 17 27.713 6.543 -11.871
153 HG3 LYS 17 HG1 LYS 17 27.159 6.306 -10.211
154 HD2 LYS 17 HD2 LYS 17 27.050 4.214 -11.515
155 HD3 LYS 17 HD1 LYS 17 25.442 4.719 -10.982
156 HE2 LYS 17 HE2 LYS 17 25.005 5.655 -13.246
157 HE3 LYS 17 HE1 LYS 17 26.619 5.155 -13.758
158 HZ1 LYS 17 HZ1 LYS 17 26.022 2.897 -13.515
159 HZ2 LYS 17 HZ2 LYS 17 24.805 3.644 -14.423
160 HZ3 LYS 17 HZ3 LYS 17 24.545 3.283 -12.791
161 H GLY 18 HN GLY 18 26.217 11.318 -10.414
162 HA2 GLY 18 HA2 GLY 18 25.027 13.210 -10.929
163 HA3 GLY 18 HA1 GLY 18 24.464 12.432 -12.399
164 H LYS 19 HN LYS 19 23.954 10.810 -9.370
165 HA LYS 19 HA LYS 19 21.187 11.854 -9.121
166 HB2 LYS 19 HB2 LYS 19 22.125 8.966 -8.744
167 HB3 LYS 19 HB1 LYS 19 20.550 9.565 -8.219
168 HG2 LYS 19 HG2 LYS 19 21.565 9.484 -11.073
169 HG3 LYS 19 HG1 LYS 19 20.379 8.383 -10.359
170 HD2 LYS 19 HD2 LYS 19 18.852 10.342 -9.994
171 HD3 LYS 19 HD1 LYS 19 20.035 11.386 -10.793
172 HE2 LYS 19 HE2 LYS 19 18.308 10.811 -12.391
173 HE3 LYS 19 HE1 LYS 19 19.789 9.977 -12.860
174 HZ1 LYS 19 HZ1 LYS 19 18.927 7.962 -11.832
175 HZ2 LYS 19 HZ2 LYS 19 17.875 8.533 -13.021
176 HZ3 LYS 19 HZ3 LYS 19 17.504 8.765 -11.389
177 H VAL 20 HN VAL 20 20.845 12.797 -7.249
178 HA VAL 20 HA VAL 20 22.922 12.973 -5.272
179 HB VAL 20 HB VAL 20 20.094 14.091 -5.095
180 HG11 VAL 20 HG11 VAL 20 22.647 14.977 -3.692
181 HG12 VAL 20 HG12 VAL 20 21.270 14.165 -2.943
182 HG13 VAL 20 HG13 VAL 20 21.086 15.796 -3.588
183 HG21 VAL 20 HG21 VAL 20 22.541 15.416 -6.329
184 HG22 VAL 20 HG22 VAL 20 20.977 16.192 -6.063
185 HG23 VAL 20 HG23 VAL 20 21.109 14.846 -7.197
186 H GLU 21 HN GLU 21 23.205 11.482 -3.702
187 HA GLU 21 HA GLU 21 21.018 9.679 -2.923
188 HB2 GLU 21 HB2 GLU 21 24.007 9.473 -2.386
189 HB3 GLU 21 HB1 GLU 21 22.800 8.257 -1.961
190 HG2 GLU 21 HG2 GLU 21 22.322 7.923 -4.366
191 HG3 GLU 21 HG1 GLU 21 23.560 9.113 -4.776
192 H TYR 22 HN TYR 22 20.525 9.276 -0.760
193 HA TYR 22 HA TYR 22 21.434 11.227 1.268
194 HB2 TYR 22 HB2 TYR 22 18.543 10.422 0.678
195 HB3 TYR 22 HB1 TYR 22 19.053 11.380 2.063
196 HD1 TYR 22 HD1 TYR 22 18.660 11.409 -1.641
197 HD2 TYR 22 HD2 TYR 22 19.519 13.730 1.835
198 HE1 TYR 22 HE1 TYR 22 18.427 13.473 -2.950
199 HE2 TYR 22 HE2 TYR 22 19.267 15.782 0.530
200 HH TYR 22 HH TYR 22 17.840 15.880 -2.495
201 H LEU 23 HN LEU 23 22.491 9.869 2.680
202 HA LEU 23 HA LEU 23 21.430 7.364 3.630
203 HB2 LEU 23 HB2 LEU 23 23.847 8.051 3.874
204 HB3 LEU 23 HB1 LEU 23 23.352 9.299 5.002
205 HG LEU 23 HG LEU 23 22.496 7.509 6.545
206 HD11 LEU 23 HD11 LEU 23 22.083 5.747 4.915
207 HD12 LEU 23 HD12 LEU 23 23.150 5.186 6.197
208 HD13 LEU 23 HD13 LEU 23 23.816 5.592 4.611
209 HD21 LEU 23 HD21 LEU 23 24.698 6.778 7.352
210 HD22 LEU 23 HD22 LEU 23 24.720 8.480 6.898
211 HD23 LEU 23 HD23 LEU 23 25.438 7.274 5.825
212 H VAL 24 HN VAL 24 19.359 7.541 4.368
213 HA VAL 24 HA VAL 24 18.547 9.855 5.944
214 HB VAL 24 HB VAL 24 16.895 7.575 4.759
215 HG11 VAL 24 HG11 VAL 24 14.900 8.943 5.317
216 HG12 VAL 24 HG12 VAL 24 15.924 10.113 6.153
217 HG13 VAL 24 HG13 VAL 24 15.772 8.470 6.780
218 HG21 VAL 24 HG21 VAL 24 17.889 9.048 3.069
219 HG22 VAL 24 HG22 VAL 24 17.239 10.471 3.893
220 HG23 VAL 24 HG23 VAL 24 16.147 9.300 3.159
221 H LYS 25 HN LYS 25 18.562 9.814 8.059
222 HA LYS 25 HA LYS 25 18.720 7.359 9.596
223 HB2 LYS 25 HB2 LYS 25 20.051 9.323 10.299
224 HB3 LYS 25 HB1 LYS 25 18.584 10.276 10.486
225 HG2 LYS 25 HG2 LYS 25 19.459 9.503 12.656
226 HG3 LYS 25 HG1 LYS 25 17.847 8.855 12.332
227 HD2 LYS 25 HD2 LYS 25 18.865 6.696 11.636
228 HD3 LYS 25 HD1 LYS 25 20.475 7.349 11.961
229 HE2 LYS 25 HE2 LYS 25 18.268 6.889 14.002
230 HE3 LYS 25 HE1 LYS 25 19.738 5.933 13.813
231 HZ1 LYS 25 HZ1 LYS 25 20.067 7.430 15.608
232 HZ2 LYS 25 HZ2 LYS 25 19.531 8.757 14.714
233 HZ3 LYS 25 HZ3 LYS 25 20.999 8.013 14.326
234 H TRP 26 HN TRP 26 16.880 6.270 9.687
235 HA TRP 26 HA TRP 26 14.242 7.468 9.951
236 HB2 TRP 26 HB2 TRP 26 14.915 4.517 10.332
237 HB3 TRP 26 HB1 TRP 26 13.417 5.228 9.740
238 HD1 TRP 26 HD1 TRP 26 16.862 4.081 8.584
239 HE1 TRP 26 HE1 TRP 26 16.970 4.154 6.017
240 HE3 TRP 26 HE3 TRP 26 12.438 6.476 7.619
241 HZ2 TRP 26 HZ2 TRP 26 15.423 5.082 3.881
242 HZ3 TRP 26 HZ3 TRP 26 11.822 6.908 5.273
243 HH2 TRP 26 HH2 TRP 26 13.290 6.222 3.436
244 H LYS 27 HN LYS 27 13.430 8.055 11.971
245 HA LYS 27 HA LYS 27 15.185 7.829 14.218
246 HB2 LYS 27 HB2 LYS 27 13.711 9.818 13.803
247 HB3 LYS 27 HB1 LYS 27 12.315 8.839 14.242
248 HG2 LYS 27 HG2 LYS 27 13.187 8.551 16.517
249 HG3 LYS 27 HG1 LYS 27 14.668 9.402 16.081
250 HD2 LYS 27 HD2 LYS 27 13.246 10.899 17.341
251 HD3 LYS 27 HD1 LYS 27 13.339 11.467 15.673
252 HE2 LYS 27 HE2 LYS 27 11.116 10.486 15.218
253 HE3 LYS 27 HE1 LYS 27 11.027 9.898 16.883
254 HZ1 LYS 27 HZ1 LYS 27 11.159 12.215 17.633
255 HZ2 LYS 27 HZ2 LYS 27 9.812 11.944 16.656
256 HZ3 LYS 27 HZ3 LYS 27 11.160 12.743 16.025
257 H GLY 28 HN GLY 28 12.344 6.035 13.204
258 HA2 GLY 28 HA2 GLY 28 11.836 4.646 15.647
259 HA3 GLY 28 HA1 GLY 28 11.309 4.160 14.046
260 H TRP 29 HN TRP 29 14.258 4.274 13.226
261 HA TRP 29 HA TRP 29 14.888 1.494 14.012
262 HB2 TRP 29 HB2 TRP 29 15.440 3.051 11.438
263 HB3 TRP 29 HB1 TRP 29 16.141 1.471 11.779
264 HD1 TRP 29 HD1 TRP 29 12.437 2.748 12.056
265 HE1 TRP 29 HE1 TRP 29 10.923 1.061 10.853
266 HE3 TRP 29 HE3 TRP 29 16.008 -0.453 10.280
267 HZ2 TRP 29 HZ2 TRP 29 11.190 -1.285 9.323
268 HZ3 TRP 29 HZ3 TRP 29 15.300 -2.382 8.936
269 HH2 TRP 29 HH2 TRP 29 12.937 -2.791 8.465
270 HA PRO 30 HA PRO 30 18.619 3.089 15.985
271 HB2 PRO 30 HB2 PRO 30 20.188 0.796 15.846
272 HB3 PRO 30 HB1 PRO 30 18.917 1.055 17.048
273 HG2 PRO 30 HG2 PRO 30 18.799 -0.480 14.462
274 HG3 PRO 30 HG1 PRO 30 18.161 -0.929 16.059
275 HD2 PRO 30 HD2 PRO 30 16.542 0.051 14.139
276 HD3 PRO 30 HD1 PRO 30 16.290 0.470 15.849
277 HA PRO 31 HA PRO 31 21.265 4.829 12.861
278 HB2 PRO 31 HB2 PRO 31 23.641 3.937 14.511
279 HB3 PRO 31 HB1 PRO 31 23.279 5.531 13.825
280 HG2 PRO 31 HG2 PRO 31 22.850 5.105 16.407
281 HG3 PRO 31 HG1 PRO 31 21.655 6.012 15.453
282 HD2 PRO 31 HD2 PRO 31 21.542 3.155 16.414
283 HD3 PRO 31 HD1 PRO 31 20.247 4.371 16.330
284 H LYS 32 HN LYS 32 22.081 1.529 13.805
285 HA LYS 32 HA LYS 32 23.889 0.915 11.695
286 HB2 LYS 32 HB2 LYS 32 23.553 -1.447 12.335
287 HB3 LYS 32 HB1 LYS 32 23.813 -0.421 13.743
288 HG2 LYS 32 HG2 LYS 32 21.341 -0.421 14.148
289 HG3 LYS 32 HG1 LYS 32 21.152 -1.542 12.792
290 HD2 LYS 32 HD2 LYS 32 22.559 -3.205 13.969
291 HD3 LYS 32 HD1 LYS 32 22.769 -2.086 15.321
292 HE2 LYS 32 HE2 LYS 32 20.321 -2.165 15.736
293 HE3 LYS 32 HE1 LYS 32 20.139 -3.310 14.403
294 HZ1 LYS 32 HZ1 LYS 32 21.680 -3.749 16.904
295 HZ2 LYS 32 HZ2 LYS 32 21.589 -4.841 15.617
296 HZ3 LYS 32 HZ3 LYS 32 20.200 -4.458 16.502
297 H TYR 33 HN TYR 33 20.515 1.368 11.593
298 HA TYR 33 HA TYR 33 20.197 -0.136 9.063
299 HB2 TYR 33 HB2 TYR 33 18.128 0.732 11.124
300 HB3 TYR 33 HB1 TYR 33 17.717 0.008 9.571
301 HD1 TYR 33 HD2 TYR 33 19.891 -2.148 9.474
302 HD2 TYR 33 HD1 TYR 33 17.269 -0.913 12.609
303 HE1 TYR 33 HE2 TYR 33 20.021 -4.392 10.465
304 HE2 TYR 33 HE1 TYR 33 17.393 -3.158 13.602
305 HH TYR 33 HH TYR 33 19.700 -5.489 12.629
306 H SER 34 HN SER 34 21.168 2.794 9.729
307 HA SER 34 HA SER 34 19.411 4.486 8.220
308 HB2 SER 34 HB2 SER 34 21.404 6.006 8.061
309 HB3 SER 34 HB1 SER 34 21.097 5.482 9.718
310 HG SER 34 HG SER 34 22.906 4.059 8.075
311 H THR 35 HN THR 35 19.119 4.490 6.027
312 HA THR 35 HA THR 35 20.923 2.843 4.331
313 HB THR 35 HB THR 35 18.790 2.231 3.035
314 HG1 THR 35 HG1 THR 35 17.484 3.911 4.007
315 HG21 THR 35 HG21 THR 35 18.911 1.281 5.922
316 HG22 THR 35 HG22 THR 35 19.835 0.598 4.584
317 HG23 THR 35 HG23 THR 35 18.075 0.457 4.603
318 H TRP 36 HN TRP 36 20.491 3.305 1.901
319 HA TRP 36 HA TRP 36 20.676 6.231 1.502
320 HB2 TRP 36 HB2 TRP 36 22.087 3.969 -0.001
321 HB3 TRP 36 HB1 TRP 36 22.159 5.666 -0.458
322 HD1 TRP 36 HD1 TRP 36 23.569 3.200 2.121
323 HE1 TRP 36 HE1 TRP 36 25.590 4.299 3.272
324 HE3 TRP 36 HE3 TRP 36 23.104 7.938 0.246
325 HZ2 TRP 36 HZ2 TRP 36 26.833 6.831 3.376
326 HZ3 TRP 36 HZ3 TRP 36 24.743 9.642 0.925
327 HH2 TRP 36 HH2 TRP 36 26.573 9.103 2.461
328 H GLU 37 HN GLU 37 18.984 6.982 0.371
329 HA GLU 37 HA GLU 37 18.090 5.497 -2.036
330 HB2 GLU 37 HB2 GLU 37 16.307 7.317 -0.390
331 HB3 GLU 37 HB1 GLU 37 15.829 6.351 -1.769
332 HG2 GLU 37 HG2 GLU 37 14.907 5.236 0.055
333 HG3 GLU 37 HG1 GLU 37 16.384 4.319 -0.266
334 HA PRO 38 HA PRO 38 19.331 9.351 -3.996
335 HB2 PRO 38 HB2 PRO 38 18.156 9.165 -6.419
336 HB3 PRO 38 HB1 PRO 38 19.452 8.060 -5.942
337 HG2 PRO 38 HG2 PRO 38 16.468 7.606 -5.881
338 HG3 PRO 38 HG1 PRO 38 17.736 6.532 -6.506
339 HD2 PRO 38 HD2 PRO 38 16.642 6.220 -4.017
340 HD3 PRO 38 HD1 PRO 38 18.326 5.773 -4.383
341 H GLU 39 HN GLU 39 18.353 11.199 -5.255
342 HA GLU 39 HA GLU 39 16.842 12.792 -3.634
343 HB2 GLU 39 HB2 GLU 39 16.692 14.298 -5.669
344 HB3 GLU 39 HB1 GLU 39 18.306 13.690 -5.300
345 HG2 GLU 39 HG2 GLU 39 18.042 11.945 -7.042
346 HG3 GLU 39 HG1 GLU 39 16.449 12.581 -7.434
347 H GLU 40 HN GLU 40 15.638 10.639 -6.073
348 HA GLU 40 HA GLU 40 13.124 11.588 -6.711
349 HB2 GLU 40 HB2 GLU 40 14.237 9.681 -7.807
350 HB3 GLU 40 HB1 GLU 40 14.093 8.726 -6.336
351 HG2 GLU 40 HG2 GLU 40 11.566 8.911 -6.624
352 HG3 GLU 40 HG1 GLU 40 11.883 9.597 -8.212
353 H HIS 41 HN HIS 41 14.177 9.987 -3.773
354 HA HIS 41 HA HIS 41 11.557 9.037 -3.005
355 HB2 HIS 41 HB2 HIS 41 12.644 7.664 -1.528
356 HB3 HIS 41 HB1 HIS 41 13.979 7.972 -2.619
357 HD1 HIS 41 HD1 HIS 41 15.812 9.758 -1.690
358 HD2 HIS 41 HD2 HIS 41 13.056 8.356 1.043
359 HE1 HIS 41 HE1 HIS 41 16.816 10.200 0.552
360 HE2 HIS 41 HE2 HIS 41 15.266 9.018 2.125
361 H ILE 42 HN ILE 42 13.320 11.922 -2.465
362 HA ILE 42 HA ILE 42 12.376 12.563 0.180
363 HB ILE 42 HB ILE 42 13.608 14.342 -1.980
364 HG12 ILE 42 HG12 ILE 42 15.130 12.542 -1.129
365 HG13 ILE 42 HG11 ILE 42 15.715 14.156 -0.752
366 HG21 ILE 42 HG21 ILE 42 13.122 15.017 0.947
367 HG22 ILE 42 HG22 ILE 42 12.313 15.741 -0.446
368 HG23 ILE 42 HG23 ILE 42 14.037 16.004 -0.194
369 HD11 ILE 42 HD11 ILE 42 14.330 12.294 1.180
370 HD12 ILE 42 HD12 ILE 42 14.959 13.903 1.554
371 HD13 ILE 42 HD13 ILE 42 16.062 12.611 1.084
372 H LEU 43 HN LEU 43 10.245 13.022 0.586
373 HA LEU 43 HA LEU 43 8.489 13.969 -1.564
374 HB2 LEU 43 HB2 LEU 43 7.771 13.311 1.326
375 HB3 LEU 43 HB1 LEU 43 6.654 13.500 -0.023
376 HG LEU 43 HG LEU 43 8.632 11.228 0.434
377 HD11 LEU 43 HD11 LEU 43 6.648 9.789 0.448
378 HD12 LEU 43 HD12 LEU 43 5.606 11.201 0.243
379 HD13 LEU 43 HD13 LEU 43 6.567 11.016 1.709
380 HD21 LEU 43 HD21 LEU 43 8.687 11.775 -1.918
381 HD22 LEU 43 HD22 LEU 43 6.925 11.716 -2.016
382 HD23 LEU 43 HD23 LEU 43 7.846 10.250 -1.667
383 H ASP 44 HN ASP 44 9.981 15.155 1.373
384 HA ASP 44 HA ASP 44 8.625 17.780 1.119
385 HB2 ASP 44 HB2 ASP 44 7.804 16.736 3.122
386 HB3 ASP 44 HB1 ASP 44 9.411 16.185 3.581
387 HA PRO 45 HA PRO 45 12.828 19.351 0.420
388 HB2 PRO 45 HB2 PRO 45 12.299 22.033 0.741
389 HB3 PRO 45 HB1 PRO 45 11.866 21.131 -0.717
390 HG2 PRO 45 HG2 PRO 45 10.138 21.810 1.670
391 HG3 PRO 45 HG1 PRO 45 9.765 21.988 -0.060
392 HD2 PRO 45 HD2 PRO 45 8.838 19.889 1.329
393 HD3 PRO 45 HD1 PRO 45 9.393 19.683 -0.348
394 H ARG 46 HN ARG 46 10.947 20.257 3.291
395 HA ARG 46 HA ARG 46 13.026 21.637 4.667
396 HB2 ARG 46 HB2 ARG 46 10.574 20.303 5.893
397 HB3 ARG 46 HB1 ARG 46 11.567 21.558 6.631
398 HG2 ARG 46 HG2 ARG 46 10.829 23.142 4.852
399 HG3 ARG 46 HG1 ARG 46 9.794 21.873 4.187
400 HD2 ARG 46 HD2 ARG 46 8.615 21.768 6.412
401 HD3 ARG 46 HD1 ARG 46 9.573 23.160 6.931
402 HE ARG 46 HE ARG 46 8.258 23.798 4.516
403 HH11 ARG 46 HH11 ARG 46 7.538 23.314 7.918
404 HH12 ARG 46 HH12 ARG 46 6.061 24.218 7.856
405 HH21 ARG 46 HH21 ARG 46 6.309 24.972 4.445
406 HH22 ARG 46 HH22 ARG 46 5.361 25.151 5.891
407 H LEU 47 HN LEU 47 12.187 18.250 4.386
408 HA LEU 47 HA LEU 47 13.554 17.096 6.534
409 HB2 LEU 47 HB2 LEU 47 12.142 15.758 5.094
410 HB3 LEU 47 HB1 LEU 47 13.120 16.130 3.686
411 HG LEU 47 HG LEU 47 14.966 14.747 4.550
412 HD11 LEU 47 HD11 LEU 47 14.700 13.338 6.551
413 HD12 LEU 47 HD12 LEU 47 13.178 14.150 6.926
414 HD13 LEU 47 HD13 LEU 47 14.694 15.057 6.947
415 HD21 LEU 47 HD21 LEU 47 13.284 13.668 3.132
416 HD22 LEU 47 HD22 LEU 47 12.329 13.249 4.556
417 HD23 LEU 47 HD23 LEU 47 13.926 12.536 4.324
418 H VAL 48 HN VAL 48 14.794 17.848 3.289
419 HA VAL 48 HA VAL 48 17.515 17.106 3.820
420 HB VAL 48 HB VAL 48 16.349 18.823 1.580
421 HG11 VAL 48 HG11 VAL 48 19.050 17.428 1.719
422 HG12 VAL 48 HG12 VAL 48 18.774 19.170 1.762
423 HG13 VAL 48 HG13 VAL 48 18.398 18.255 0.302
424 HG21 VAL 48 HG21 VAL 48 16.923 15.835 1.631
425 HG22 VAL 48 HG22 VAL 48 16.384 16.751 0.221
426 HG23 VAL 48 HG23 VAL 48 15.326 16.592 1.623
427 H MET 49 HN MET 49 15.776 20.159 3.482
428 HA MET 49 HA MET 49 17.960 21.912 3.648
429 HB2 MET 49 HB2 MET 49 14.981 22.391 4.059
430 HB3 MET 49 HB1 MET 49 16.179 23.690 3.963
431 HG2 MET 49 HG2 MET 49 15.441 21.706 1.799
432 HG3 MET 49 HG1 MET 49 15.086 23.433 1.823
433 HE1 MET 49 HE1 MET 49 16.480 21.856 -0.660
434 HE2 MET 49 HE2 MET 49 17.713 23.033 -1.115
435 HE3 MET 49 HE3 MET 49 16.094 23.578 -0.691
436 H ALA 50 HN ALA 50 15.981 20.476 6.179
437 HA ALA 50 HA ALA 50 16.699 22.153 8.357
438 HB1 ALA 50 HB1 ALA 50 16.002 20.290 9.817
439 HB2 ALA 50 HB2 ALA 50 15.987 19.197 8.427
440 HB3 ALA 50 HB3 ALA 50 14.843 20.537 8.509
441 H TYR 51 HN TYR 51 18.140 19.203 7.060
442 HA TYR 51 HA TYR 51 20.247 19.023 8.982
443 HB2 TYR 51 HB2 TYR 51 19.542 16.989 7.963
444 HB3 TYR 51 HB1 TYR 51 19.667 17.659 6.338
445 HD1 TYR 51 HD2 TYR 51 21.867 16.918 9.322
446 HD2 TYR 51 HD1 TYR 51 21.535 17.090 5.068
447 HE1 TYR 51 HE2 TYR 51 24.142 16.033 9.098
448 HE2 TYR 51 HE1 TYR 51 23.810 16.242 4.846
449 HH TYR 51 HH TYR 51 25.521 14.848 7.470
450 H GLU 52 HN GLU 52 19.957 20.468 5.752
451 HA GLU 52 HA GLU 52 22.742 20.907 5.325
452 HB2 GLU 52 HB2 GLU 52 20.413 22.420 4.072
453 HB3 GLU 52 HB1 GLU 52 22.079 22.377 3.498
454 HG2 GLU 52 HG2 GLU 52 20.255 19.970 3.612
455 HG3 GLU 52 HG1 GLU 52 20.515 20.967 2.182
456 H GLU 53 HN GLU 53 20.184 22.844 6.853
457 HA GLU 53 HA GLU 53 21.851 25.195 7.139
458 HB2 GLU 53 HB2 GLU 53 19.971 26.204 8.318
459 HB3 GLU 53 HB1 GLU 53 19.385 25.390 6.872
460 HG2 GLU 53 HG2 GLU 53 18.676 23.477 8.285
461 HG3 GLU 53 HG1 GLU 53 19.188 24.365 9.713
462 H LYS 54 HN LYS 54 20.820 22.523 9.254
463 HA LYS 54 HA LYS 54 22.639 23.373 11.401
464 HB2 LYS 54 HB2 LYS 54 20.547 21.182 11.178
465 HB3 LYS 54 HB1 LYS 54 21.824 21.018 12.371
466 HG2 LYS 54 HG2 LYS 54 20.175 22.011 13.651
467 HG3 LYS 54 HG1 LYS 54 21.097 23.418 13.139
468 HD2 LYS 54 HD2 LYS 54 18.820 24.031 12.874
469 HD3 LYS 54 HD1 LYS 54 19.396 23.684 11.242
470 HE2 LYS 54 HE2 LYS 54 18.382 21.404 11.415
471 HE3 LYS 54 HE1 LYS 54 17.744 21.832 13.004
472 HZ1 LYS 54 HZ1 LYS 54 16.518 23.654 11.886
473 HZ2 LYS 54 HZ2 LYS 54 16.053 22.106 11.390
474 HZ3 LYS 54 HZ3 LYS 54 17.044 23.050 10.394
475 H GLU 55 HN GLU 55 23.584 20.836 12.219
476 HA GLU 55 HA GLU 55 25.043 19.713 9.945
477 HB2 GLU 55 HB2 GLU 55 27.246 19.902 11.072
478 HB3 GLU 55 HB1 GLU 55 26.566 21.474 10.684
479 HG2 GLU 55 HG2 GLU 55 26.475 20.229 13.461
480 HG3 GLU 55 HG1 GLU 55 27.738 21.323 12.918
481 H GLU 56 HN GLU 56 25.221 17.621 10.088
482 HA GLU 56 HA GLU 56 25.051 15.488 10.673
483 HB2 GLU 56 HB2 GLU 56 27.179 16.149 11.872
484 HB3 GLU 56 HB1 GLU 56 26.241 16.275 13.352
485 HG2 GLU 56 HG2 GLU 56 27.379 14.134 13.307
486 HG3 GLU 56 HG1 GLU 56 25.642 13.871 13.168
487 H1 ALA 1 HT1 ALA 1 1.871 12.658 9.579
488 H2 ALA 1 HT2 ALA 1 1.065 11.900 10.860
489 H3 ALA 1 HT3 ALA 1 0.272 13.076 9.941
490 HA ALA 1 HA ALA 1 1.194 10.438 8.969
491 HB1 ALA 1 HB1 ALA 1 -1.195 9.876 8.834
492 HB2 ALA 1 HB2 ALA 1 -1.615 11.462 9.484
493 HB3 ALA 1 HB3 ALA 1 -0.744 10.301 10.488
494 H ARG 2 HN ARG 2 -0.817 13.314 8.218
495 HA ARG 2 HA ARG 2 -0.513 12.924 5.342
496 HB2 ARG 2 HB2 ARG 2 -2.043 14.977 6.983
497 HB3 ARG 2 HB1 ARG 2 -1.966 15.020 5.223
498 HG2 ARG 2 HG2 ARG 2 -3.102 12.705 6.842
499 HG3 ARG 2 HG1 ARG 2 -4.062 14.001 6.127
500 HD2 ARG 2 HD2 ARG 2 -4.228 12.151 4.631
501 HD3 ARG 2 HD1 ARG 2 -3.127 13.294 3.862
502 HE ARG 2 HE ARG 2 -2.034 11.045 5.419
503 HH11 ARG 2 HH11 ARG 2 -2.406 12.584 2.285
504 HH12 ARG 2 HH12 ARG 2 -1.255 11.547 1.512
505 HH21 ARG 2 HH21 ARG 2 -0.528 9.714 4.403
506 HH22 ARG 2 HH22 ARG 2 -0.185 9.922 2.716
507 H THR 3 HN THR 3 1.649 13.255 4.963
508 HA THR 3 HA THR 3 3.522 14.325 4.322
509 HB THR 3 HB THR 3 1.907 16.894 4.536
510 HG1 THR 3 HG1 THR 3 1.348 16.521 2.414
511 HG21 THR 3 HG21 THR 3 4.439 16.299 2.944
512 HG22 THR 3 HG22 THR 3 4.336 17.352 4.355
513 HG23 THR 3 HG23 THR 3 3.511 17.797 2.859
514 H LYS 4 HN LYS 4 5.040 14.045 5.849
515 HA LYS 4 HA LYS 4 5.766 16.208 7.620
516 HB2 LYS 4 HB2 LYS 4 4.132 15.040 9.065
517 HB3 LYS 4 HB1 LYS 4 4.962 13.513 8.806
518 HG2 LYS 4 HG2 LYS 4 7.008 14.632 9.918
519 HG3 LYS 4 HG1 LYS 4 5.895 15.909 10.415
520 HD2 LYS 4 HD2 LYS 4 6.199 14.260 12.211
521 HD3 LYS 4 HD1 LYS 4 4.529 14.247 11.636
522 HE2 LYS 4 HE2 LYS 4 5.009 12.228 10.286
523 HE3 LYS 4 HE1 LYS 4 6.687 12.247 10.835
524 HZ1 LYS 4 HZ1 LYS 4 5.902 11.915 13.092
525 HZ2 LYS 4 HZ2 LYS 4 5.379 10.672 12.076
526 HZ3 LYS 4 HZ3 LYS 4 4.297 11.880 12.556
527 H GLN 5 HN GLN 5 7.503 16.088 6.092
528 HA GLN 5 HA GLN 5 9.589 15.564 5.350
529 HB2 GLN 5 HB2 GLN 5 9.744 14.794 8.275
530 HB3 GLN 5 HB1 GLN 5 11.157 14.681 7.233
531 HG2 GLN 5 HG2 GLN 5 11.263 16.772 8.401
532 HG3 GLN 5 HG1 GLN 5 10.922 17.109 6.705
533 HE21 GLN 5 HE21 GLN 5 9.904 19.048 6.931
534 HE22 GLN 5 HE22 GLN 5 8.448 19.309 7.821
535 H THR 6 HN THR 6 7.553 13.485 4.964
536 HA THR 6 HA THR 6 8.534 10.915 5.562
537 HB THR 6 HB THR 6 6.740 10.247 3.747
538 HG1 THR 6 HG1 THR 6 6.700 12.477 2.928
539 HG21 THR 6 HG21 THR 6 5.885 11.718 6.271
540 HG22 THR 6 HG22 THR 6 6.380 10.023 6.201
541 HG23 THR 6 HG23 THR 6 4.913 10.553 5.370
542 H ALA 7 HN ALA 7 9.382 9.347 4.309
543 HA ALA 7 HA ALA 7 10.778 10.111 1.834
544 HB1 ALA 7 HB1 ALA 7 12.312 10.571 3.701
545 HB2 ALA 7 HB2 ALA 7 12.880 9.185 2.776
546 HB3 ALA 7 HB3 ALA 7 12.080 8.937 4.327
547 H ARG 8 HN ARG 8 10.174 8.650 0.397
548 HA ARG 8 HA ARG 8 9.258 5.983 1.019
549 HB2 ARG 8 HB2 ARG 8 10.018 7.247 -1.654
550 HB3 ARG 8 HB1 ARG 8 9.156 5.721 -1.450
551 HG2 ARG 8 HG2 ARG 8 7.249 6.929 -0.445
552 HG3 ARG 8 HG1 ARG 8 8.122 8.457 -0.612
553 HD2 ARG 8 HD2 ARG 8 7.254 6.661 -2.913
554 HD3 ARG 8 HD1 ARG 8 6.429 8.135 -2.392
555 HE ARG 8 HE ARG 8 9.243 8.385 -3.163
556 HH11 ARG 8 HH11 ARG 8 5.890 8.856 -4.114
557 HH12 ARG 8 HH12 ARG 8 6.285 9.930 -5.413
558 HH21 ARG 8 HH21 ARG 8 9.733 9.831 -4.868
559 HH22 ARG 8 HH22 ARG 8 8.450 10.470 -5.847
560 H M3L 9 HN M3L 9 10.396 3.981 0.442
561 HA M3L 9 HA M3L 9 13.315 4.299 0.266
562 HB2 M3L 9 HB2 M3L 9 11.661 1.812 0.828
563 HB3 M3L 9 HB1 M3L 9 13.429 1.869 0.780
564 HG2 M3L 9 HG2 M3L 9 13.287 3.667 2.599
565 HG3 M3L 9 HG1 M3L 9 11.574 3.257 2.751
566 HD2 M3L 9 HD2 M3L 9 12.211 0.925 3.336
567 HD3 M3L 9 HD1 M3L 9 13.920 1.369 3.209
568 HE2 M3L 9 HE2 M3L 9 13.424 3.168 4.983
569 HE3 M3L 9 HE1 M3L 9 11.867 2.378 5.210
570 HM11 M3L 9 HH33 M3L 9 11.805 -0.010 6.053
571 HM12 M3L 9 HH31 M3L 9 13.301 -0.797 6.560
572 HM13 M3L 9 HH32 M3L 9 12.982 -0.534 4.846
573 HM21 M3L 9 HH11 M3L 9 13.873 2.790 7.388
574 HM22 M3L 9 HH12 M3L 9 13.861 1.154 8.050
575 HM23 M3L 9 HH13 M3L 9 12.344 1.923 7.574
576 HM31 M3L 9 HH21 M3L 9 15.510 0.442 6.325
577 HM32 M3L 9 HH22 M3L 9 15.523 2.071 5.643
578 HM33 M3L 9 HH23 M3L 9 15.168 0.685 4.608
579 H SER 10 HN SER 10 14.564 3.343 -1.331
580 HA SER 10 HA SER 10 13.555 3.833 -3.915
581 HB2 SER 10 HB2 SER 10 15.904 4.257 -3.218
582 HB3 SER 10 HB1 SER 10 16.181 2.516 -3.092
583 HG SER 10 HG SER 10 16.235 2.363 -5.226
584 H THR 11 HN THR 11 11.841 2.437 -4.367
585 HA THR 11 HA THR 11 12.489 -0.389 -4.963
586 HB THR 11 HB THR 11 10.180 -1.005 -4.205
587 HG1 THR 11 HG1 THR 11 8.805 0.509 -3.713
588 HG21 THR 11 HG21 THR 11 10.559 -0.889 -1.780
589 HG22 THR 11 HG22 THR 11 11.808 0.334 -2.022
590 HG23 THR 11 HG23 THR 11 12.052 -1.307 -2.627
591 H GLY 12 HN GLY 12 10.956 -1.344 -6.549
592 HA2 GLY 12 HA2 GLY 12 8.966 -0.305 -8.024
593 HA3 GLY 12 HA1 GLY 12 10.358 0.496 -8.750
594 H GLY 13 HN GLY 13 12.200 -1.654 -8.426
595 HA2 GLY 13 HA2 GLY 13 11.663 -4.178 -9.173
596 HA3 GLY 13 HA1 GLY 13 11.462 -3.328 -10.707
597 H LYS 14 HN LYS 14 13.344 -1.475 -10.743
598 HA LYS 14 HA LYS 14 15.960 -2.730 -10.222
599 HB2 LYS 14 HB2 LYS 14 15.361 -3.369 -12.543
600 HB3 LYS 14 HB1 LYS 14 15.048 -1.682 -12.946
601 HG2 LYS 14 HG2 LYS 14 17.494 -1.213 -12.410
602 HG3 LYS 14 HG1 LYS 14 17.725 -2.962 -12.290
603 HD2 LYS 14 HD2 LYS 14 17.071 -3.231 -14.644
604 HD3 LYS 14 HD1 LYS 14 16.706 -1.504 -14.763
605 HE2 LYS 14 HE2 LYS 14 19.439 -2.753 -14.307
606 HE3 LYS 14 HE1 LYS 14 18.876 -1.939 -15.769
607 HZ1 LYS 14 HZ1 LYS 14 18.652 0.111 -14.423
608 HZ2 LYS 14 HZ2 LYS 14 20.241 -0.455 -14.520
609 HZ3 LYS 14 HZ3 LYS 14 19.344 -0.695 -13.105
610 H ALA 15 HN ALA 15 17.602 -1.241 -9.812
611 HA ALA 15 HA ALA 15 17.006 1.629 -9.886
612 HB1 ALA 15 HB1 ALA 15 19.165 1.876 -8.702
613 HB2 ALA 15 HB2 ALA 15 19.457 0.140 -8.855
614 HB3 ALA 15 HB3 ALA 15 18.116 0.731 -7.869
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 0.694 -1.231 3.325
2 H2 GLY 1 HT2 GLY 1 0.316 -2.059 1.903
3 H3 GLY 1 HT3 GLY 1 -0.785 -0.951 2.554
4 HA2 GLY 1 HA1 GLY 1 0.290 0.051 0.678
5 HA3 GLY 1 HA2 GLY 1 0.783 0.861 2.158
6 H GLU 2 HN GLU 2 2.559 1.521 0.541
7 HA GLU 2 HA GLU 2 4.619 -0.494 0.060
8 HB2 GLU 2 HB2 GLU 2 5.743 1.214 -1.252
9 HB3 GLU 2 HB1 GLU 2 4.044 1.155 -1.708
10 HG2 GLU 2 HG2 GLU 2 3.642 3.169 -0.276
11 HG3 GLU 2 HG1 GLU 2 5.376 3.250 0.038
12 H GLN 3 HN GLN 3 6.989 0.792 0.382
13 HA GLN 3 HA GLN 3 7.219 0.469 3.278
14 HB2 GLN 3 HB2 GLN 3 8.624 -0.719 1.323
15 HB3 GLN 3 HB1 GLN 3 9.626 0.719 1.465
16 HG2 GLN 3 HG2 GLN 3 10.584 -1.001 2.832
17 HG3 GLN 3 HG1 GLN 3 9.900 0.219 3.907
18 HE21 GLN 3 HE21 GLN 3 9.617 -3.052 2.725
19 HE22 GLN 3 HE22 GLN 3 8.449 -3.590 3.882
20 H VAL 4 HN VAL 4 6.497 2.538 4.021
21 HA VAL 4 HA VAL 4 8.656 4.565 3.977
22 HB VAL 4 HB VAL 4 7.044 6.421 4.213
23 HG11 VAL 4 HG11 VAL 4 6.590 4.776 1.702
24 HG12 VAL 4 HG12 VAL 4 7.877 5.949 1.989
25 HG13 VAL 4 HG13 VAL 4 6.206 6.492 1.883
26 HG21 VAL 4 HG21 VAL 4 4.850 4.373 3.670
27 HG22 VAL 4 HG22 VAL 4 4.628 6.126 3.732
28 HG23 VAL 4 HG23 VAL 4 5.112 5.249 5.184
29 H PHE 5 HN PHE 5 9.104 5.536 5.931
30 HA PHE 5 HA PHE 5 7.686 4.640 8.360
31 HB2 PHE 5 HB2 PHE 5 10.657 4.274 7.765
32 HB3 PHE 5 HB1 PHE 5 10.058 4.334 9.419
33 HD1 PHE 5 HD1 PHE 5 9.573 2.454 6.197
34 HD2 PHE 5 HD2 PHE 5 9.344 2.344 10.460
35 HE1 PHE 5 HE1 PHE 5 9.095 0.050 6.116
36 HE2 PHE 5 HE2 PHE 5 8.868 -0.060 10.362
37 HZ PHE 5 HZ PHE 5 8.736 -1.213 8.196
38 H ALA 6 HN ALA 6 8.200 5.930 10.256
39 HA ALA 6 HA ALA 6 8.192 8.726 9.831
40 HB1 ALA 6 HB1 ALA 6 8.722 7.193 12.410
41 HB2 ALA 6 HB2 ALA 6 7.139 7.681 11.806
42 HB3 ALA 6 HB3 ALA 6 8.309 8.909 12.292
43 H VAL 7 HN VAL 7 9.895 9.910 9.192
44 HA VAL 7 HA VAL 7 12.630 9.017 9.534
45 HB VAL 7 HB VAL 7 13.309 10.961 8.236
46 HG11 VAL 7 HG11 VAL 7 12.450 9.068 6.942
47 HG12 VAL 7 HG12 VAL 7 12.067 10.587 6.129
48 HG13 VAL 7 HG13 VAL 7 10.811 9.723 7.022
49 HG21 VAL 7 HG21 VAL 7 11.704 12.685 7.432
50 HG22 VAL 7 HG22 VAL 7 11.874 12.702 9.187
51 HG23 VAL 7 HG23 VAL 7 10.444 11.973 8.449
52 H GLU 8 HN GLU 8 14.238 10.111 10.623
53 HA GLU 8 HA GLU 8 13.512 11.778 12.921
54 HB2 GLU 8 HB2 GLU 8 15.045 9.749 13.078
55 HB3 GLU 8 HB1 GLU 8 16.220 10.624 12.107
56 HG2 GLU 8 HG2 GLU 8 16.365 12.346 13.880
57 HG3 GLU 8 HG1 GLU 8 15.211 11.429 14.849
58 H SER 9 HN SER 9 16.015 11.690 10.396
59 HA SER 9 HA SER 9 15.689 14.332 9.386
60 HB2 SER 9 HB2 SER 9 18.063 13.837 11.255
61 HB3 SER 9 HB1 SER 9 18.009 15.161 10.093
62 HG SER 9 HG SER 9 16.369 14.746 12.362
63 H ILE 10 HN ILE 10 17.916 14.783 8.014
64 HA ILE 10 HA ILE 10 18.805 12.299 6.719
65 HB ILE 10 HB ILE 10 19.587 15.196 6.141
66 HG12 ILE 10 HG12 ILE 10 17.201 14.853 5.667
67 HG13 ILE 10 HG11 ILE 10 18.093 15.058 4.168
68 HG21 ILE 10 HG21 ILE 10 21.336 13.674 5.376
69 HG22 ILE 10 HG22 ILE 10 20.487 14.353 3.988
70 HG23 ILE 10 HG23 ILE 10 20.151 12.697 4.500
71 HD11 ILE 10 HD11 ILE 10 17.091 12.452 5.294
72 HD12 ILE 10 HD12 ILE 10 17.993 12.643 3.788
73 HD13 ILE 10 HD13 ILE 10 16.394 13.367 3.959
74 H ARG 11 HN ARG 11 20.894 11.488 6.998
75 HA ARG 11 HA ARG 11 22.400 12.493 9.314
76 HB2 ARG 11 HB2 ARG 11 21.710 9.828 8.430
77 HB3 ARG 11 HB1 ARG 11 23.458 9.948 8.371
78 HG2 ARG 11 HG2 ARG 11 21.673 10.393 10.795
79 HG3 ARG 11 HG1 ARG 11 22.780 9.045 10.522
80 HD2 ARG 11 HD2 ARG 11 24.698 10.587 10.661
81 HD3 ARG 11 HD1 ARG 11 23.599 11.956 10.873
82 HE ARG 11 HE ARG 11 23.591 9.741 12.825
83 HH11 ARG 11 HH11 ARG 11 24.114 13.160 12.173
84 HH12 ARG 11 HH12 ARG 11 24.343 13.558 13.845
85 HH21 ARG 11 HH21 ARG 11 23.854 10.300 15.015
86 HH22 ARG 11 HH22 ARG 11 24.196 11.940 15.460
87 H LYS 12 HN LYS 12 22.949 11.322 5.971
88 HA LYS 12 HA LYS 12 25.251 13.148 5.704
89 HB2 LYS 12 HB2 LYS 12 25.297 10.180 4.993
90 HB3 LYS 12 HB1 LYS 12 26.487 11.337 4.405
91 HG2 LYS 12 HG2 LYS 12 27.129 11.802 6.788
92 HG3 LYS 12 HG1 LYS 12 26.023 10.518 7.290
93 HD2 LYS 12 HD2 LYS 12 27.336 8.850 6.069
94 HD3 LYS 12 HD1 LYS 12 28.380 10.109 5.401
95 HE2 LYS 12 HE2 LYS 12 29.504 8.951 7.248
96 HE3 LYS 12 HE1 LYS 12 29.199 10.636 7.676
97 HZ1 LYS 12 HZ1 LYS 12 27.311 9.943 8.988
98 HZ2 LYS 12 HZ2 LYS 12 28.688 9.106 9.489
99 HZ3 LYS 12 HZ3 LYS 12 27.528 8.331 8.532
100 H LYS 13 HN LYS 13 26.000 13.077 3.285
101 HA LYS 13 HA LYS 13 23.831 12.939 1.362
102 HB2 LYS 13 HB2 LYS 13 23.383 15.147 2.463
103 HB3 LYS 13 HB1 LYS 13 25.036 15.661 2.133
104 HG2 LYS 13 HG2 LYS 13 24.571 15.523 -0.313
105 HG3 LYS 13 HG1 LYS 13 22.909 15.040 0.041
106 HD2 LYS 13 HD2 LYS 13 22.564 17.245 1.200
107 HD3 LYS 13 HD1 LYS 13 24.200 17.720 0.725
108 HE2 LYS 13 HE2 LYS 13 23.543 17.472 -1.674
109 HE3 LYS 13 HE1 LYS 13 21.907 17.048 -1.168
110 HZ1 LYS 13 HZ1 LYS 13 23.286 19.641 -0.829
111 HZ2 LYS 13 HZ2 LYS 13 21.834 19.266 -0.062
112 HZ3 LYS 13 HZ3 LYS 13 21.908 19.312 -1.750
113 H ARG 14 HN ARG 14 24.662 12.677 -0.653
114 HA ARG 14 HA ARG 14 27.430 13.240 -1.361
115 HB2 ARG 14 HB2 ARG 14 27.939 10.821 -1.839
116 HB3 ARG 14 HB1 ARG 14 27.729 11.148 -0.118
117 HG2 ARG 14 HG2 ARG 14 25.451 10.245 -0.186
118 HG3 ARG 14 HG1 ARG 14 25.587 9.962 -1.925
119 HD2 ARG 14 HD2 ARG 14 27.439 8.681 0.107
120 HD3 ARG 14 HD1 ARG 14 25.919 7.949 -0.404
121 HE ARG 14 HE ARG 14 26.796 7.910 -2.696
122 HH11 ARG 14 HH11 ARG 14 29.161 8.211 -0.112
123 HH12 ARG 14 HH12 ARG 14 30.434 7.481 -1.031
124 HH21 ARG 14 HH21 ARG 14 28.461 6.965 -3.883
125 HH22 ARG 14 HH22 ARG 14 30.035 6.777 -3.190
126 H VAL 15 HN VAL 15 27.817 12.022 -3.599
127 HA VAL 15 HA VAL 15 25.379 11.690 -5.189
128 HB VAL 15 HB VAL 15 26.014 14.024 -5.598
129 HG11 VAL 15 HG11 VAL 15 28.401 13.940 -5.027
130 HG12 VAL 15 HG12 VAL 15 28.162 14.686 -6.608
131 HG13 VAL 15 HG13 VAL 15 28.737 13.020 -6.499
132 HG21 VAL 15 HG21 VAL 15 26.173 13.994 -8.060
133 HG22 VAL 15 HG22 VAL 15 25.052 12.760 -7.480
134 HG23 VAL 15 HG23 VAL 15 26.668 12.298 -8.014
135 H ARG 16 HN ARG 16 25.596 10.193 -6.816
136 HA ARG 16 HA ARG 16 28.065 8.672 -7.167
137 HB2 ARG 16 HB2 ARG 16 27.283 7.682 -5.117
138 HB3 ARG 16 HB1 ARG 16 25.618 7.648 -5.678
139 HG2 ARG 16 HG2 ARG 16 26.192 5.879 -7.301
140 HG3 ARG 16 HG1 ARG 16 27.871 5.907 -6.749
141 HD2 ARG 16 HD2 ARG 16 27.244 5.097 -4.572
142 HD3 ARG 16 HD1 ARG 16 25.524 5.332 -4.912
143 HE ARG 16 HE ARG 16 27.098 3.386 -6.485
144 HH11 ARG 16 HH11 ARG 16 24.404 4.053 -4.313
145 HH12 ARG 16 HH12 ARG 16 23.808 2.423 -4.374
146 HH21 ARG 16 HH21 ARG 16 26.288 1.262 -6.561
147 HH22 ARG 16 HH22 ARG 16 24.869 0.847 -5.654
148 H LYS 17 HN LYS 17 28.095 8.594 -9.330
149 HA LYS 17 HA LYS 17 27.548 8.348 -11.513
150 HB2 LYS 17 HB2 LYS 17 25.380 6.507 -10.414
151 HB3 LYS 17 HB1 LYS 17 25.862 6.588 -12.107
152 HG2 LYS 17 HG2 LYS 17 27.728 5.805 -9.841
153 HG3 LYS 17 HG1 LYS 17 26.818 4.649 -10.822
154 HD2 LYS 17 HD2 LYS 17 28.005 5.374 -12.842
155 HD3 LYS 17 HD1 LYS 17 28.851 6.631 -11.931
156 HE2 LYS 17 HE2 LYS 17 29.128 3.637 -11.458
157 HE3 LYS 17 HE1 LYS 17 30.279 4.649 -12.334
158 HZ1 LYS 17 HZ1 LYS 17 30.959 4.275 -10.046
159 HZ2 LYS 17 HZ2 LYS 17 29.537 4.989 -9.474
160 HZ3 LYS 17 HZ3 LYS 17 30.668 5.914 -10.326
161 H GLY 18 HN GLY 18 26.471 10.572 -10.094
162 HA2 GLY 18 HA2 GLY 18 25.312 12.449 -10.902
163 HA3 GLY 18 HA1 GLY 18 24.344 11.412 -11.931
164 H LYS 19 HN LYS 19 24.002 9.700 -9.316
165 HA LYS 19 HA LYS 19 21.480 10.969 -8.563
166 HB2 LYS 19 HB2 LYS 19 22.647 8.242 -7.824
167 HB3 LYS 19 HB1 LYS 19 21.046 8.817 -7.359
168 HG2 LYS 19 HG2 LYS 19 21.993 8.407 -10.205
169 HG3 LYS 19 HG1 LYS 19 21.001 7.267 -9.291
170 HD2 LYS 19 HD2 LYS 19 20.214 10.102 -10.084
171 HD3 LYS 19 HD1 LYS 19 19.657 8.623 -10.866
172 HE2 LYS 19 HE2 LYS 19 19.099 9.387 -7.975
173 HE3 LYS 19 HE1 LYS 19 17.966 9.571 -9.318
174 HZ1 LYS 19 HZ1 LYS 19 19.083 6.992 -8.344
175 HZ2 LYS 19 HZ2 LYS 19 17.999 7.174 -9.629
176 HZ3 LYS 19 HZ3 LYS 19 17.513 7.562 -8.063
177 H VAL 20 HN VAL 20 21.523 12.416 -7.006
178 HA VAL 20 HA VAL 20 23.523 12.468 -4.904
179 HB VAL 20 HB VAL 20 21.044 14.226 -5.246
180 HG11 VAL 20 HG11 VAL 20 23.479 14.616 -3.450
181 HG12 VAL 20 HG12 VAL 20 21.840 14.237 -2.911
182 HG13 VAL 20 HG13 VAL 20 22.178 15.790 -3.677
183 HG21 VAL 20 HG21 VAL 20 22.580 15.931 -6.171
184 HG22 VAL 20 HG22 VAL 20 22.592 14.469 -7.162
185 HG23 VAL 20 HG23 VAL 20 23.928 14.795 -6.054
186 H GLU 21 HN GLU 21 23.356 11.180 -3.217
187 HA GLU 21 HA GLU 21 20.776 9.957 -2.434
188 HB2 GLU 21 HB2 GLU 21 23.621 9.002 -1.854
189 HB3 GLU 21 HB1 GLU 21 22.129 8.127 -1.512
190 HG2 GLU 21 HG2 GLU 21 21.707 7.796 -3.872
191 HG3 GLU 21 HG1 GLU 21 23.054 8.851 -4.310
192 H TYR 22 HN TYR 22 20.246 9.803 -0.258
193 HA TYR 22 HA TYR 22 21.717 11.512 1.669
194 HB2 TYR 22 HB2 TYR 22 18.666 11.309 1.436
195 HB3 TYR 22 HB1 TYR 22 19.579 12.373 2.501
196 HD1 TYR 22 HD1 TYR 22 18.428 11.835 -0.950
197 HD2 TYR 22 HD2 TYR 22 20.664 14.413 1.612
198 HE1 TYR 22 HE1 TYR 22 18.453 13.549 -2.692
199 HE2 TYR 22 HE2 TYR 22 20.655 16.136 -0.133
200 HH TYR 22 HH TYR 22 18.674 15.945 -2.920
201 H LEU 23 HN LEU 23 22.300 10.264 3.419
202 HA LEU 23 HA LEU 23 21.159 7.678 3.941
203 HB2 LEU 23 HB2 LEU 23 23.519 8.299 4.549
204 HB3 LEU 23 HB1 LEU 23 22.899 9.410 5.757
205 HG LEU 23 HG LEU 23 21.900 7.484 6.995
206 HD11 LEU 23 HD11 LEU 23 23.288 5.735 4.951
207 HD12 LEU 23 HD12 LEU 23 21.545 5.936 5.142
208 HD13 LEU 23 HD13 LEU 23 22.486 5.183 6.425
209 HD21 LEU 23 HD21 LEU 23 24.879 7.196 6.484
210 HD22 LEU 23 HD22 LEU 23 24.000 6.552 7.875
211 HD23 LEU 23 HD23 LEU 23 24.121 8.294 7.642
212 H VAL 24 HN VAL 24 18.928 8.199 4.031
213 HA VAL 24 HA VAL 24 17.803 10.119 5.780
214 HB VAL 24 HB VAL 24 16.467 7.638 4.596
215 HG11 VAL 24 HG11 VAL 24 14.324 8.850 4.948
216 HG12 VAL 24 HG12 VAL 24 15.193 10.165 5.742
217 HG13 VAL 24 HG13 VAL 24 15.159 8.562 6.477
218 HG21 VAL 24 HG21 VAL 24 17.416 9.069 2.829
219 HG22 VAL 24 HG22 VAL 24 16.582 10.477 3.495
220 HG23 VAL 24 HG23 VAL 24 15.650 9.145 2.806
221 H LYS 25 HN LYS 25 18.200 10.000 7.856
222 HA LYS 25 HA LYS 25 18.519 7.542 9.326
223 HB2 LYS 25 HB2 LYS 25 19.828 9.560 9.918
224 HB3 LYS 25 HB1 LYS 25 18.349 10.442 10.275
225 HG2 LYS 25 HG2 LYS 25 19.436 9.722 12.332
226 HG3 LYS 25 HG1 LYS 25 17.881 8.907 12.148
227 HD2 LYS 25 HD2 LYS 25 19.020 6.861 11.383
228 HD3 LYS 25 HD1 LYS 25 20.585 7.667 11.463
229 HE2 LYS 25 HE2 LYS 25 20.240 6.224 13.418
230 HE3 LYS 25 HE1 LYS 25 20.317 7.916 13.913
231 HZ1 LYS 25 HZ1 LYS 25 17.817 6.359 13.520
232 HZ2 LYS 25 HZ2 LYS 25 17.915 7.962 14.047
233 HZ3 LYS 25 HZ3 LYS 25 18.521 6.719 15.016
234 H TRP 26 HN TRP 26 16.775 6.372 9.769
235 HA TRP 26 HA TRP 26 14.131 7.555 10.047
236 HB2 TRP 26 HB2 TRP 26 14.918 4.633 10.463
237 HB3 TRP 26 HB1 TRP 26 13.310 5.275 10.130
238 HD1 TRP 26 HD1 TRP 26 16.536 4.270 8.420
239 HE1 TRP 26 HE1 TRP 26 16.248 4.366 5.866
240 HE3 TRP 26 HE3 TRP 26 11.954 6.508 8.195
241 HZ2 TRP 26 HZ2 TRP 26 14.357 5.272 4.005
242 HZ3 TRP 26 HZ3 TRP 26 10.970 6.944 5.980
243 HH2 TRP 26 HH2 TRP 26 12.147 6.338 3.929
244 H LYS 27 HN LYS 27 12.866 7.332 11.962
245 HA LYS 27 HA LYS 27 14.259 8.504 14.108
246 HB2 LYS 27 HB2 LYS 27 11.954 9.060 13.425
247 HB3 LYS 27 HB1 LYS 27 11.398 7.475 13.957
248 HG2 LYS 27 HG2 LYS 27 12.015 8.059 16.280
249 HG3 LYS 27 HG1 LYS 27 12.542 9.656 15.730
250 HD2 LYS 27 HD2 LYS 27 10.243 10.147 14.956
251 HD3 LYS 27 HD1 LYS 27 9.715 8.547 15.493
252 HE2 LYS 27 HE2 LYS 27 10.352 9.187 17.836
253 HE3 LYS 27 HE1 LYS 27 10.737 10.810 17.249
254 HZ1 LYS 27 HZ1 LYS 27 8.087 9.488 17.086
255 HZ2 LYS 27 HZ2 LYS 27 8.445 11.047 16.527
256 HZ3 LYS 27 HZ3 LYS 27 8.523 10.697 18.180
257 H GLY 28 HN GLY 28 12.503 5.369 14.007
258 HA2 GLY 28 HA2 GLY 28 13.581 4.559 16.606
259 HA3 GLY 28 HA1 GLY 28 12.422 3.685 15.626
260 H TRP 29 HN TRP 29 14.991 4.510 13.631
261 HA TRP 29 HA TRP 29 16.106 1.769 13.863
262 HB2 TRP 29 HB2 TRP 29 15.635 3.412 11.328
263 HB3 TRP 29 HB1 TRP 29 16.348 1.803 11.383
264 HD1 TRP 29 HD1 TRP 29 12.944 3.542 12.162
265 HE1 TRP 29 HE1 TRP 29 11.068 1.839 11.773
266 HE3 TRP 29 HE3 TRP 29 15.778 -0.595 11.093
267 HZ2 TRP 29 HZ2 TRP 29 10.797 -0.879 11.111
268 HZ3 TRP 29 HZ3 TRP 29 14.621 -2.705 10.576
269 HH2 TRP 29 HH2 TRP 29 12.181 -2.840 10.585
270 HA PRO 30 HA PRO 30 20.082 3.856 14.370
271 HB2 PRO 30 HB2 PRO 30 21.745 1.702 14.095
272 HB3 PRO 30 HB1 PRO 30 20.715 1.920 15.518
273 HG2 PRO 30 HG2 PRO 30 20.226 0.228 13.067
274 HG3 PRO 30 HG1 PRO 30 20.042 -0.214 14.780
275 HD2 PRO 30 HD2 PRO 30 17.916 0.512 13.257
276 HD3 PRO 30 HD1 PRO 30 18.004 0.910 14.988
277 HA PRO 31 HA PRO 31 21.919 5.052 10.414
278 HB2 PRO 31 HB2 PRO 31 24.583 4.062 11.461
279 HB3 PRO 31 HB1 PRO 31 24.181 5.600 10.672
280 HG2 PRO 31 HG2 PRO 31 24.461 5.543 13.295
281 HG3 PRO 31 HG1 PRO 31 23.107 6.448 12.588
282 HD2 PRO 31 HD2 PRO 31 23.085 3.746 13.935
283 HD3 PRO 31 HD1 PRO 31 21.914 5.080 14.058
284 H LYS 32 HN LYS 32 22.790 1.775 11.512
285 HA LYS 32 HA LYS 32 23.680 0.839 8.939
286 HB2 LYS 32 HB2 LYS 32 23.654 -1.416 9.912
287 HB3 LYS 32 HB1 LYS 32 24.448 -0.271 10.986
288 HG2 LYS 32 HG2 LYS 32 22.412 -0.186 12.398
289 HG3 LYS 32 HG1 LYS 32 21.621 -1.342 11.316
290 HD2 LYS 32 HD2 LYS 32 23.362 -3.031 11.864
291 HD3 LYS 32 HD1 LYS 32 24.146 -1.875 12.945
292 HE2 LYS 32 HE2 LYS 32 22.134 -1.852 14.376
293 HE3 LYS 32 HE1 LYS 32 21.339 -2.991 13.288
294 HZ1 LYS 32 HZ1 LYS 32 23.092 -4.602 13.788
295 HZ2 LYS 32 HZ2 LYS 32 22.257 -4.130 15.180
296 HZ3 LYS 32 HZ3 LYS 32 23.798 -3.508 14.864
297 H TYR 33 HN TYR 33 20.565 1.029 10.527
298 HA TYR 33 HA TYR 33 19.216 -0.264 8.232
299 HB2 TYR 33 HB2 TYR 33 18.165 0.449 11.009
300 HB3 TYR 33 HB1 TYR 33 17.179 -0.243 9.724
301 HD1 TYR 33 HD1 TYR 33 18.941 -2.324 8.592
302 HD2 TYR 33 HD2 TYR 33 18.299 -1.252 12.673
303 HE1 TYR 33 HE1 TYR 33 19.585 -4.585 9.284
304 HE2 TYR 33 HE2 TYR 33 18.955 -3.511 13.368
305 HH TYR 33 HH TYR 33 20.413 -5.758 11.196
306 H SER 34 HN SER 34 20.335 2.681 8.864
307 HA SER 34 HA SER 34 18.123 4.194 7.715
308 HB2 SER 34 HB2 SER 34 21.002 5.006 8.284
309 HB3 SER 34 HB1 SER 34 19.715 6.094 7.751
310 HG SER 34 HG SER 34 19.296 4.525 10.040
311 H THR 35 HN THR 35 18.026 4.824 5.565
312 HA THR 35 HA THR 35 19.636 3.141 3.726
313 HB THR 35 HB THR 35 17.558 3.303 2.234
314 HG1 THR 35 HG1 THR 35 16.548 5.068 3.233
315 HG21 THR 35 HG21 THR 35 16.272 1.588 3.466
316 HG22 THR 35 HG22 THR 35 17.171 1.963 4.938
317 HG23 THR 35 HG23 THR 35 18.005 1.257 3.550
318 H TRP 36 HN TRP 36 20.555 4.053 1.945
319 HA TRP 36 HA TRP 36 20.795 6.933 1.754
320 HB2 TRP 36 HB2 TRP 36 21.993 4.672 0.084
321 HB3 TRP 36 HB1 TRP 36 22.332 6.376 -0.197
322 HD1 TRP 36 HD1 TRP 36 23.199 3.506 2.181
323 HE1 TRP 36 HE1 TRP 36 25.165 4.237 3.673
324 HE3 TRP 36 HE3 TRP 36 23.358 8.464 0.944
325 HZ2 TRP 36 HZ2 TRP 36 26.584 6.591 4.259
326 HZ3 TRP 36 HZ3 TRP 36 25.050 9.895 2.024
327 HH2 TRP 36 HH2 TRP 36 26.627 8.970 3.648
328 H GLU 37 HN GLU 37 18.518 7.330 1.345
329 HA GLU 37 HA GLU 37 17.393 6.535 -1.235
330 HB2 GLU 37 HB2 GLU 37 16.154 8.091 1.078
331 HB3 GLU 37 HB1 GLU 37 15.304 7.635 -0.395
332 HG2 GLU 37 HG2 GLU 37 16.392 5.775 1.740
333 HG3 GLU 37 HG1 GLU 37 14.696 6.125 1.406
334 HA PRO 38 HA PRO 38 18.834 10.506 -2.906
335 HB2 PRO 38 HB2 PRO 38 17.285 9.706 -5.333
336 HB3 PRO 38 HB1 PRO 38 19.010 10.061 -5.163
337 HG2 PRO 38 HG2 PRO 38 18.145 7.553 -5.545
338 HG3 PRO 38 HG1 PRO 38 19.528 7.890 -4.477
339 HD2 PRO 38 HD2 PRO 38 16.641 7.363 -3.729
340 HD3 PRO 38 HD1 PRO 38 18.130 6.683 -3.027
341 H GLU 39 HN GLU 39 17.785 12.324 -4.123
342 HA GLU 39 HA GLU 39 15.602 13.444 -2.755
343 HB2 GLU 39 HB2 GLU 39 15.756 15.258 -4.472
344 HB3 GLU 39 HB1 GLU 39 17.327 14.800 -3.820
345 HG2 GLU 39 HG2 GLU 39 17.590 13.299 -5.877
346 HG3 GLU 39 HG1 GLU 39 16.178 14.121 -6.538
347 H GLU 40 HN GLU 40 15.642 11.273 -5.388
348 HA GLU 40 HA GLU 40 13.253 11.624 -6.761
349 HB2 GLU 40 HB2 GLU 40 14.416 8.941 -5.879
350 HB3 GLU 40 HB1 GLU 40 13.383 9.230 -7.280
351 HG2 GLU 40 HG2 GLU 40 16.239 10.173 -6.895
352 HG3 GLU 40 HG1 GLU 40 15.704 8.858 -7.940
353 H HIS 41 HN HIS 41 13.879 10.103 -3.637
354 HA HIS 41 HA HIS 41 11.054 9.311 -3.286
355 HB2 HIS 41 HB2 HIS 41 13.621 8.270 -2.028
356 HB3 HIS 41 HB1 HIS 41 12.014 7.756 -1.522
357 HD1 HIS 41 HD1 HIS 41 13.630 5.543 -2.347
358 HD2 HIS 41 HD2 HIS 41 11.572 7.765 -5.181
359 HE1 HIS 41 HE1 HIS 41 13.458 4.048 -4.355
360 HE2 HIS 41 HE2 HIS 41 12.060 5.358 -5.995
361 H ILE 42 HN ILE 42 13.275 11.648 -2.183
362 HA ILE 42 HA ILE 42 12.333 11.995 0.512
363 HB ILE 42 HB ILE 42 13.759 13.986 -1.322
364 HG12 ILE 42 HG12 ILE 42 15.128 11.964 -0.929
365 HG13 ILE 42 HG11 ILE 42 15.839 13.354 -0.125
366 HG21 ILE 42 HG21 ILE 42 14.364 15.213 0.738
367 HG22 ILE 42 HG22 ILE 42 13.368 14.111 1.691
368 HG23 ILE 42 HG23 ILE 42 12.618 15.168 0.492
369 HD11 ILE 42 HD11 ILE 42 14.969 12.553 2.018
370 HD12 ILE 42 HD12 ILE 42 15.999 11.358 1.232
371 HD13 ILE 42 HD13 ILE 42 14.247 11.161 1.206
372 H LEU 43 HN LEU 43 10.281 12.620 0.992
373 HA LEU 43 HA LEU 43 8.463 13.497 -1.033
374 HB2 LEU 43 HB2 LEU 43 8.053 13.271 1.970
375 HB3 LEU 43 HB1 LEU 43 6.770 13.607 0.813
376 HG LEU 43 HG LEU 43 8.338 11.027 1.161
377 HD11 LEU 43 HD11 LEU 43 6.144 10.017 1.518
378 HD12 LEU 43 HD12 LEU 43 5.352 11.578 1.270
379 HD13 LEU 43 HD13 LEU 43 6.416 11.334 2.658
380 HD21 LEU 43 HD21 LEU 43 7.077 10.137 -0.779
381 HD22 LEU 43 HD22 LEU 43 8.235 11.386 -1.212
382 HD23 LEU 43 HD23 LEU 43 6.512 11.770 -1.139
383 H ASP 44 HN ASP 44 10.486 15.280 1.085
384 HA ASP 44 HA ASP 44 9.024 17.782 0.610
385 HB2 ASP 44 HB2 ASP 44 8.044 17.024 2.681
386 HB3 ASP 44 HB1 ASP 44 9.607 16.563 3.335
387 HA PRO 45 HA PRO 45 13.308 19.066 -0.106
388 HB2 PRO 45 HB2 PRO 45 12.844 21.824 0.023
389 HB3 PRO 45 HB1 PRO 45 12.608 20.826 -1.417
390 HG2 PRO 45 HG2 PRO 45 10.576 21.720 0.627
391 HG3 PRO 45 HG1 PRO 45 10.441 21.688 -1.146
392 HD2 PRO 45 HD2 PRO 45 9.297 19.778 0.324
393 HD3 PRO 45 HD1 PRO 45 10.107 19.358 -1.205
394 H ARG 46 HN ARG 46 11.392 20.330 2.628
395 HA ARG 46 HA ARG 46 13.567 21.548 4.037
396 HB2 ARG 46 HB2 ARG 46 10.923 20.583 5.199
397 HB3 ARG 46 HB1 ARG 46 12.048 21.701 5.964
398 HG2 ARG 46 HG2 ARG 46 11.599 23.367 4.202
399 HG3 ARG 46 HG1 ARG 46 10.493 22.237 3.409
400 HD2 ARG 46 HD2 ARG 46 9.079 22.226 5.469
401 HD3 ARG 46 HD1 ARG 46 10.161 23.422 6.191
402 HE ARG 46 HE ARG 46 9.420 24.654 3.906
403 HH11 ARG 46 HH11 ARG 46 7.504 23.068 6.390
404 HH12 ARG 46 HH12 ARG 46 6.138 24.110 6.179
405 HH21 ARG 46 HH21 ARG 46 7.602 26.014 3.632
406 HH22 ARG 46 HH22 ARG 46 6.187 25.774 4.607
407 H LEU 47 HN LEU 47 12.491 18.218 3.821
408 HA LEU 47 HA LEU 47 13.524 17.136 6.200
409 HB2 LEU 47 HB2 LEU 47 12.152 15.811 4.664
410 HB3 LEU 47 HB1 LEU 47 13.379 15.906 3.416
411 HG LEU 47 HG LEU 47 14.862 14.423 4.661
412 HD11 LEU 47 HD11 LEU 47 14.413 15.140 6.950
413 HD12 LEU 47 HD12 LEU 47 14.265 13.393 6.798
414 HD13 LEU 47 HD13 LEU 47 12.813 14.393 6.894
415 HD21 LEU 47 HD21 LEU 47 13.546 12.342 4.647
416 HD22 LEU 47 HD22 LEU 47 13.171 13.339 3.244
417 HD23 LEU 47 HD23 LEU 47 12.047 13.275 4.606
418 H VAL 48 HN VAL 48 15.138 17.848 3.129
419 HA VAL 48 HA VAL 48 17.775 17.075 4.116
420 HB VAL 48 HB VAL 48 17.019 18.337 1.445
421 HG11 VAL 48 HG11 VAL 48 19.241 17.513 0.687
422 HG12 VAL 48 HG12 VAL 48 19.585 16.954 2.324
423 HG13 VAL 48 HG13 VAL 48 19.391 18.680 2.007
424 HG21 VAL 48 HG21 VAL 48 17.452 15.392 2.108
425 HG22 VAL 48 HG22 VAL 48 17.178 16.050 0.492
426 HG23 VAL 48 HG23 VAL 48 15.902 16.145 1.710
427 H MET 49 HN MET 49 16.038 20.023 3.154
428 HA MET 49 HA MET 49 18.240 21.793 3.213
429 HB2 MET 49 HB2 MET 49 15.244 22.319 3.274
430 HB3 MET 49 HB1 MET 49 16.434 23.620 3.244
431 HG2 MET 49 HG2 MET 49 17.273 22.837 1.091
432 HG3 MET 49 HG1 MET 49 16.138 21.480 1.126
433 HE1 MET 49 HE1 MET 49 14.624 23.822 -1.669
434 HE2 MET 49 HE2 MET 49 15.188 22.192 -1.297
435 HE3 MET 49 HE3 MET 49 16.332 23.537 -1.336
436 H ALA 50 HN ALA 50 15.689 21.200 5.650
437 HA ALA 50 HA ALA 50 16.575 23.107 7.563
438 HB1 ALA 50 HB1 ALA 50 14.301 22.135 7.644
439 HB2 ALA 50 HB2 ALA 50 15.137 21.946 9.186
440 HB3 ALA 50 HB3 ALA 50 14.982 20.570 8.085
441 H TYR 51 HN TYR 51 17.437 19.684 7.020
442 HA TYR 51 HA TYR 51 19.237 19.337 9.160
443 HB2 TYR 51 HB2 TYR 51 18.758 17.353 7.982
444 HB3 TYR 51 HB1 TYR 51 18.960 18.107 6.411
445 HD1 TYR 51 HD2 TYR 51 21.056 17.256 9.441
446 HD2 TYR 51 HD1 TYR 51 20.868 17.515 5.173
447 HE1 TYR 51 HE2 TYR 51 23.328 16.334 9.275
448 HE2 TYR 51 HE1 TYR 51 23.138 16.592 5.013
449 HH TYR 51 HH TYR 51 25.174 16.453 6.458
450 H GLU 52 HN GLU 52 19.761 20.728 5.905
451 HA GLU 52 HA GLU 52 22.604 20.995 6.196
452 HB2 GLU 52 HB2 GLU 52 20.721 22.220 4.150
453 HB3 GLU 52 HB1 GLU 52 22.480 22.265 4.055
454 HG2 GLU 52 HG2 GLU 52 22.495 19.772 3.967
455 HG3 GLU 52 HG1 GLU 52 20.732 19.794 3.938
456 H GLU 53 HN GLU 53 20.101 22.892 7.478
457 HA GLU 53 HA GLU 53 21.279 25.489 7.372
458 HB2 GLU 53 HB2 GLU 53 19.317 24.373 9.424
459 HB3 GLU 53 HB1 GLU 53 19.685 26.077 9.172
460 HG2 GLU 53 HG2 GLU 53 18.287 24.210 7.233
461 HG3 GLU 53 HG1 GLU 53 17.546 25.506 8.166
462 H LYS 54 HN LYS 54 21.906 22.674 9.355
463 HA LYS 54 HA LYS 54 24.091 23.958 10.754
464 HB2 LYS 54 HB2 LYS 54 23.279 23.833 12.997
465 HB3 LYS 54 HB1 LYS 54 21.976 24.581 12.088
466 HG2 LYS 54 HG2 LYS 54 22.072 21.671 12.963
467 HG3 LYS 54 HG1 LYS 54 21.168 22.953 13.765
468 HD2 LYS 54 HD2 LYS 54 19.697 23.188 11.809
469 HD3 LYS 54 HD1 LYS 54 20.654 22.004 10.910
470 HE2 LYS 54 HE2 LYS 54 20.032 20.265 12.581
471 HE3 LYS 54 HE1 LYS 54 19.061 21.456 13.442
472 HZ1 LYS 54 HZ1 LYS 54 17.634 21.652 11.530
473 HZ2 LYS 54 HZ2 LYS 54 17.734 20.036 12.016
474 HZ3 LYS 54 HZ3 LYS 54 18.584 20.562 10.657
475 H GLU 55 HN GLU 55 25.474 22.380 11.866
476 HA GLU 55 HA GLU 55 25.318 19.703 10.762
477 HB2 GLU 55 HB2 GLU 55 27.301 20.948 12.706
478 HB3 GLU 55 HB1 GLU 55 27.426 19.302 12.081
479 HG2 GLU 55 HG2 GLU 55 27.553 20.246 9.767
480 HG3 GLU 55 HG1 GLU 55 27.567 21.867 10.465
481 H GLU 56 HN GLU 56 23.369 18.999 11.618
482 HA GLU 56 HA GLU 56 23.505 17.628 14.152
483 HB2 GLU 56 HB2 GLU 56 22.679 19.895 14.845
484 HB3 GLU 56 HB1 GLU 56 21.353 19.760 13.705
485 HG2 GLU 56 HG2 GLU 56 20.472 19.314 15.874
486 HG3 GLU 56 HG1 GLU 56 20.508 17.785 15.003
487 H1 ALA 1 HT1 ALA 1 7.358 21.955 16.012
488 H2 ALA 1 HT2 ALA 1 6.834 23.512 15.629
489 H3 ALA 1 HT3 ALA 1 8.487 23.198 15.802
490 HA ALA 1 HA ALA 1 7.857 23.410 13.487
491 HB1 ALA 1 HB1 ALA 1 8.912 21.337 12.686
492 HB2 ALA 1 HB2 ALA 1 8.687 20.600 14.277
493 HB3 ALA 1 HB3 ALA 1 9.761 21.987 14.090
494 H ARG 2 HN ARG 2 5.976 23.518 12.416
495 HA ARG 2 HA ARG 2 3.859 21.536 12.671
496 HB2 ARG 2 HB2 ARG 2 4.118 23.974 10.857
497 HB3 ARG 2 HB1 ARG 2 2.669 22.976 10.996
498 HG2 ARG 2 HG2 ARG 2 2.431 23.616 13.356
499 HG3 ARG 2 HG1 ARG 2 3.922 24.556 13.269
500 HD2 ARG 2 HD2 ARG 2 2.832 26.015 11.537
501 HD3 ARG 2 HD1 ARG 2 1.325 25.128 11.794
502 HE ARG 2 HE ARG 2 1.797 25.896 14.276
503 HH11 ARG 2 HH11 ARG 2 2.072 27.836 11.344
504 HH12 ARG 2 HH12 ARG 2 1.802 29.336 12.174
505 HH21 ARG 2 HH21 ARG 2 1.440 27.859 15.336
506 HH22 ARG 2 HH22 ARG 2 1.446 29.345 14.441
507 H THR 3 HN THR 3 6.715 21.649 10.917
508 HA THR 3 HA THR 3 5.812 20.383 8.479
509 HB THR 3 HB THR 3 7.747 21.838 8.318
510 HG1 THR 3 HG1 THR 3 7.658 19.836 7.035
511 HG21 THR 3 HG21 THR 3 9.218 19.963 10.208
512 HG22 THR 3 HG22 THR 3 8.693 21.605 10.592
513 HG23 THR 3 HG23 THR 3 9.926 21.338 9.356
514 H LYS 4 HN LYS 4 5.303 18.306 8.326
515 HA LYS 4 HA LYS 4 6.801 16.238 9.824
516 HB2 LYS 4 HB2 LYS 4 3.817 16.290 9.173
517 HB3 LYS 4 HB1 LYS 4 4.670 14.846 9.722
518 HG2 LYS 4 HG2 LYS 4 5.226 15.981 11.848
519 HG3 LYS 4 HG1 LYS 4 4.370 17.432 11.302
520 HD2 LYS 4 HD2 LYS 4 2.251 16.169 11.233
521 HD3 LYS 4 HD1 LYS 4 3.098 14.688 11.693
522 HE2 LYS 4 HE2 LYS 4 2.870 17.183 13.421
523 HE3 LYS 4 HE1 LYS 4 1.908 15.718 13.604
524 HZ1 LYS 4 HZ1 LYS 4 4.857 15.883 13.888
525 HZ2 LYS 4 HZ2 LYS 4 3.926 14.489 14.076
526 HZ3 LYS 4 HZ3 LYS 4 3.745 15.776 15.157
527 H GLN 5 HN GLN 5 7.970 15.100 8.419
528 HA GLN 5 HA GLN 5 7.041 14.719 5.638
529 HB2 GLN 5 HB2 GLN 5 9.440 14.928 4.906
530 HB3 GLN 5 HB1 GLN 5 8.728 16.420 5.490
531 HG2 GLN 5 HG2 GLN 5 10.462 14.691 7.271
532 HG3 GLN 5 HG1 GLN 5 11.158 15.871 6.166
533 HE21 GLN 5 HE21 GLN 5 10.696 18.105 6.498
534 HE22 GLN 5 HE22 GLN 5 10.244 18.691 8.059
535 H THR 6 HN THR 6 8.377 13.038 4.508
536 HA THR 6 HA THR 6 9.230 10.729 6.073
537 HB THR 6 HB THR 6 6.909 10.466 4.119
538 HG1 THR 6 HG1 THR 6 6.831 10.440 6.972
539 HG21 THR 6 HG21 THR 6 6.637 8.215 5.069
540 HG22 THR 6 HG22 THR 6 8.015 8.494 6.136
541 HG23 THR 6 HG23 THR 6 8.257 8.407 4.390
542 H ALA 7 HN ALA 7 10.272 9.110 4.665
543 HA ALA 7 HA ALA 7 10.791 9.956 1.873
544 HB1 ALA 7 HB1 ALA 7 12.764 8.586 3.744
545 HB2 ALA 7 HB2 ALA 7 12.837 10.267 3.219
546 HB3 ALA 7 HB3 ALA 7 13.049 8.969 2.042
547 H ARG 8 HN ARG 8 10.961 8.250 0.382
548 HA ARG 8 HA ARG 8 9.372 5.867 1.073
549 HB2 ARG 8 HB2 ARG 8 10.253 6.777 -1.705
550 HB3 ARG 8 HB1 ARG 8 8.915 5.706 -1.300
551 HG2 ARG 8 HG2 ARG 8 8.769 8.500 -0.221
552 HG3 ARG 8 HG1 ARG 8 8.604 8.322 -1.966
553 HD2 ARG 8 HD2 ARG 8 6.900 6.813 0.030
554 HD3 ARG 8 HD1 ARG 8 6.445 8.371 -0.644
555 HE ARG 8 HE ARG 8 6.603 5.808 -2.048
556 HH11 ARG 8 HH11 ARG 8 5.839 9.228 -2.245
557 HH12 ARG 8 HH12 ARG 8 4.853 9.039 -3.655
558 HH21 ARG 8 HH21 ARG 8 5.312 5.584 -3.877
559 HH22 ARG 8 HH22 ARG 8 4.560 6.981 -4.580
560 H M3L 9 HN M3L 9 10.541 4.013 1.527
561 HA M3L 9 HA M3L 9 13.309 3.768 0.865
562 HB2 M3L 9 HB2 M3L 9 11.400 1.558 1.739
563 HB3 M3L 9 HB1 M3L 9 13.164 1.452 1.698
564 HG2 M3L 9 HG2 M3L 9 13.164 3.409 3.359
565 HG3 M3L 9 HG1 M3L 9 11.427 3.119 3.538
566 HD2 M3L 9 HD2 M3L 9 11.925 0.772 4.246
567 HD3 M3L 9 HD1 M3L 9 13.655 1.116 4.113
568 HE2 M3L 9 HE2 M3L 9 13.198 3.044 5.791
569 HE3 M3L 9 HE1 M3L 9 11.646 2.262 6.068
570 HM11 M3L 9 HH33 M3L 9 12.831 -0.693 5.819
571 HM12 M3L 9 HH31 M3L 9 11.643 -0.168 7.014
572 HM13 M3L 9 HH32 M3L 9 13.173 -0.871 7.542
573 HM21 M3L 9 HH11 M3L 9 15.296 2.016 6.521
574 HM22 M3L 9 HH12 M3L 9 14.970 0.596 5.521
575 HM23 M3L 9 HH13 M3L 9 15.316 0.402 7.243
576 HM31 M3L 9 HH21 M3L 9 12.122 1.871 8.445
577 HM32 M3L 9 HH22 M3L 9 13.634 2.759 8.226
578 HM33 M3L 9 HH23 M3L 9 13.654 1.147 8.944
579 H SER 10 HN SER 10 14.294 2.644 -0.741
580 HA SER 10 HA SER 10 12.977 2.154 -3.207
581 HB2 SER 10 HB2 SER 10 15.376 2.798 -3.006
582 HB3 SER 10 HB1 SER 10 15.730 1.237 -2.253
583 HG SER 10 HG SER 10 15.295 0.227 -4.161
584 H THR 11 HN THR 11 11.268 0.764 -2.671
585 HA THR 11 HA THR 11 11.723 -1.872 -1.530
586 HB THR 11 HB THR 11 9.717 -0.726 -0.793
587 HG1 THR 11 HG1 THR 11 8.128 -2.320 -1.447
588 HG21 THR 11 HG21 THR 11 9.296 0.758 -2.717
589 HG22 THR 11 HG22 THR 11 7.845 -0.154 -2.292
590 HG23 THR 11 HG23 THR 11 8.807 -0.631 -3.694
591 H GLY 12 HN GLY 12 11.383 -3.838 -2.593
592 HA2 GLY 12 HA2 GLY 12 10.938 -5.235 -4.470
593 HA3 GLY 12 HA1 GLY 12 11.164 -3.863 -5.550
594 H GLY 13 HN GLY 13 12.408 -6.165 -6.176
595 HA2 GLY 13 HA2 GLY 13 15.240 -5.466 -6.000
596 HA3 GLY 13 HA1 GLY 13 14.784 -7.035 -5.336
597 H LYS 14 HN LYS 14 14.668 -5.033 -8.241
598 HA LYS 14 HA LYS 14 13.977 -7.279 -9.973
599 HB2 LYS 14 HB2 LYS 14 14.487 -4.350 -10.666
600 HB3 LYS 14 HB1 LYS 14 13.806 -5.568 -11.749
601 HG2 LYS 14 HG2 LYS 14 11.849 -5.800 -10.255
602 HG3 LYS 14 HG1 LYS 14 12.530 -4.586 -9.167
603 HD2 LYS 14 HD2 LYS 14 12.383 -2.906 -11.010
604 HD3 LYS 14 HD1 LYS 14 11.631 -4.132 -12.045
605 HE2 LYS 14 HE2 LYS 14 10.509 -3.079 -9.416
606 HE3 LYS 14 HE1 LYS 14 9.932 -2.660 -11.028
607 HZ1 LYS 14 HZ1 LYS 14 9.347 -5.007 -11.353
608 HZ2 LYS 14 HZ2 LYS 14 8.523 -4.327 -10.045
609 HZ3 LYS 14 HZ3 LYS 14 9.838 -5.356 -9.777
610 H ALA 15 HN ALA 15 15.391 -8.457 -11.022
611 HA ALA 15 HA ALA 15 18.111 -7.491 -11.631
612 HB1 ALA 15 HB1 ALA 15 18.274 -8.834 -9.559
613 HB2 ALA 15 HB2 ALA 15 19.056 -9.664 -10.906
614 HB3 ALA 15 HB3 ALA 15 17.463 -10.187 -10.359
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 4.269 -2.177 -5.408
2 H2 GLY 1 HT2 GLY 1 3.429 -0.809 -5.930
3 H3 GLY 1 HT3 GLY 1 2.580 -2.191 -5.450
4 HA2 GLY 1 HA1 GLY 1 2.492 -0.506 -3.744
5 HA3 GLY 1 HA2 GLY 1 3.355 -1.940 -3.199
6 H GLU 2 HN GLU 2 3.663 0.447 -1.926
7 HA GLU 2 HA GLU 2 6.524 0.933 -2.153
8 HB2 GLU 2 HB2 GLU 2 6.356 3.366 -2.295
9 HB3 GLU 2 HB1 GLU 2 5.489 2.672 -3.659
10 HG2 GLU 2 HG2 GLU 2 4.209 3.781 -1.132
11 HG3 GLU 2 HG1 GLU 2 4.328 4.625 -2.669
12 H GLN 3 HN GLN 3 7.307 2.092 -0.178
13 HA GLN 3 HA GLN 3 5.327 2.420 1.955
14 HB2 GLN 3 HB2 GLN 3 6.280 0.099 2.202
15 HB3 GLN 3 HB1 GLN 3 7.871 0.812 2.429
16 HG2 GLN 3 HG2 GLN 3 6.864 0.215 4.579
17 HG3 GLN 3 HG1 GLN 3 7.109 1.957 4.458
18 HE21 GLN 3 HE21 GLN 3 4.741 -0.608 4.605
19 HE22 GLN 3 HE22 GLN 3 3.366 0.403 4.875
20 H VAL 4 HN VAL 4 5.596 4.172 3.049
21 HA VAL 4 HA VAL 4 8.075 5.758 2.912
22 HB VAL 4 HB VAL 4 6.765 7.669 3.617
23 HG11 VAL 4 HG11 VAL 4 5.060 7.848 1.823
24 HG12 VAL 4 HG12 VAL 4 5.171 6.106 1.551
25 HG13 VAL 4 HG13 VAL 4 6.566 7.141 1.238
26 HG21 VAL 4 HG21 VAL 4 5.317 6.651 5.324
27 HG22 VAL 4 HG22 VAL 4 4.401 5.801 4.079
28 HG23 VAL 4 HG23 VAL 4 4.338 7.564 4.171
29 H PHE 5 HN PHE 5 8.990 6.548 4.913
30 HA PHE 5 HA PHE 5 8.137 5.157 7.378
31 HB2 PHE 5 HB2 PHE 5 10.992 5.388 6.305
32 HB3 PHE 5 HB1 PHE 5 10.607 4.888 7.949
33 HD1 PHE 5 HD2 PHE 5 10.413 3.903 4.378
34 HD2 PHE 5 HD1 PHE 5 9.744 2.655 8.412
35 HE1 PHE 5 HE2 PHE 5 10.134 1.581 3.619
36 HE2 PHE 5 HE1 PHE 5 9.468 0.337 7.640
37 HZ PHE 5 HZ PHE 5 9.662 -0.203 5.248
38 H ALA 6 HN ALA 6 8.327 6.291 9.243
39 HA ALA 6 HA ALA 6 8.445 9.145 9.201
40 HB1 ALA 6 HB1 ALA 6 8.202 8.964 11.654
41 HB2 ALA 6 HB2 ALA 6 8.500 7.227 11.566
42 HB3 ALA 6 HB3 ALA 6 7.052 7.914 10.826
43 H VAL 7 HN VAL 7 10.310 10.240 8.939
44 HA VAL 7 HA VAL 7 12.869 8.950 9.606
45 HB VAL 7 HB VAL 7 13.928 10.520 8.082
46 HG11 VAL 7 HG11 VAL 7 12.873 9.863 5.957
47 HG12 VAL 7 HG12 VAL 7 11.405 9.385 6.815
48 HG13 VAL 7 HG13 VAL 7 12.913 8.512 7.088
49 HG21 VAL 7 HG21 VAL 7 12.662 12.217 6.814
50 HG22 VAL 7 HG22 VAL 7 12.589 12.532 8.546
51 HG23 VAL 7 HG23 VAL 7 11.203 11.820 7.721
52 H GLU 8 HN GLU 8 14.516 10.046 10.698
53 HA GLU 8 HA GLU 8 13.786 12.074 12.635
54 HB2 GLU 8 HB2 GLU 8 15.380 10.206 13.142
55 HB3 GLU 8 HB1 GLU 8 16.504 10.846 11.947
56 HG2 GLU 8 HG2 GLU 8 16.637 12.956 13.323
57 HG3 GLU 8 HG1 GLU 8 15.653 12.156 14.550
58 H SER 9 HN SER 9 16.445 11.871 10.268
59 HA SER 9 HA SER 9 15.885 14.277 8.846
60 HB2 SER 9 HB2 SER 9 18.109 14.359 10.936
61 HB3 SER 9 HB1 SER 9 18.076 15.461 9.557
62 HG SER 9 HG SER 9 15.691 15.603 10.634
63 H ILE 10 HN ILE 10 18.023 14.846 7.502
64 HA ILE 10 HA ILE 10 19.170 12.465 6.339
65 HB ILE 10 HB ILE 10 20.091 15.360 5.992
66 HG12 ILE 10 HG12 ILE 10 17.719 15.275 5.410
67 HG13 ILE 10 HG11 ILE 10 18.669 15.443 3.942
68 HG21 ILE 10 HG21 ILE 10 21.728 13.727 5.193
69 HG22 ILE 10 HG22 ILE 10 21.015 14.601 3.836
70 HG23 ILE 10 HG23 ILE 10 20.498 12.949 4.187
71 HD11 ILE 10 HD11 ILE 10 17.366 12.913 4.944
72 HD12 ILE 10 HD12 ILE 10 18.356 13.045 3.488
73 HD13 ILE 10 HD13 ILE 10 16.833 13.925 3.602
74 H ARG 11 HN ARG 11 21.290 11.699 6.709
75 HA ARG 11 HA ARG 11 22.657 12.612 9.175
76 HB2 ARG 11 HB2 ARG 11 21.731 10.169 8.810
77 HB3 ARG 11 HB1 ARG 11 23.119 9.950 7.766
78 HG2 ARG 11 HG2 ARG 11 23.272 10.673 10.706
79 HG3 ARG 11 HG1 ARG 11 23.368 9.031 10.081
80 HD2 ARG 11 HD2 ARG 11 25.425 9.792 8.774
81 HD3 ARG 11 HD1 ARG 11 25.363 11.291 9.714
82 HE ARG 11 HE ARG 11 25.658 8.589 10.915
83 HH11 ARG 11 HH11 ARG 11 26.546 12.004 10.907
84 HH12 ARG 11 HH12 ARG 11 27.621 11.829 12.254
85 HH21 ARG 11 HH21 ARG 11 27.084 8.407 12.667
86 HH22 ARG 11 HH22 ARG 11 27.940 9.806 13.236
87 H LYS 12 HN LYS 12 23.186 11.460 5.854
88 HA LYS 12 HA LYS 12 25.378 13.363 5.438
89 HB2 LYS 12 HB2 LYS 12 25.618 10.360 5.206
90 HB3 LYS 12 HB1 LYS 12 26.487 11.354 4.047
91 HG2 LYS 12 HG2 LYS 12 27.690 12.462 5.900
92 HG3 LYS 12 HG1 LYS 12 26.842 11.426 7.059
93 HD2 LYS 12 HD2 LYS 12 27.926 9.448 6.242
94 HD3 LYS 12 HD1 LYS 12 28.502 10.264 4.787
95 HE2 LYS 12 HE2 LYS 12 30.333 9.899 6.377
96 HE3 LYS 12 HE1 LYS 12 30.034 11.623 6.146
97 HZ1 LYS 12 HZ1 LYS 12 29.127 9.984 8.447
98 HZ2 LYS 12 HZ2 LYS 12 28.786 11.626 8.223
99 HZ3 LYS 12 HZ3 LYS 12 30.379 11.121 8.459
100 H LYS 13 HN LYS 13 25.972 13.362 3.010
101 HA LYS 13 HA LYS 13 23.716 13.019 1.214
102 HB2 LYS 13 HB2 LYS 13 23.014 15.055 2.436
103 HB3 LYS 13 HB1 LYS 13 24.590 15.797 2.171
104 HG2 LYS 13 HG2 LYS 13 24.110 15.816 -0.296
105 HG3 LYS 13 HG1 LYS 13 22.498 15.179 0.048
106 HD2 LYS 13 HD2 LYS 13 21.944 17.209 1.331
107 HD3 LYS 13 HD1 LYS 13 23.582 17.830 1.094
108 HE2 LYS 13 HE2 LYS 13 23.167 17.895 -1.367
109 HE3 LYS 13 HE1 LYS 13 21.514 17.345 -1.082
110 HZ1 LYS 13 HZ1 LYS 13 21.120 19.351 0.207
111 HZ2 LYS 13 HZ2 LYS 13 21.601 19.722 -1.373
112 HZ3 LYS 13 HZ3 LYS 13 22.697 19.881 -0.094
113 H ARG 14 HN ARG 14 24.523 12.731 -0.780
114 HA ARG 14 HA ARG 14 26.926 14.014 -1.786
115 HB2 ARG 14 HB2 ARG 14 28.139 11.917 -2.273
116 HB3 ARG 14 HB1 ARG 14 27.885 12.081 -0.536
117 HG2 ARG 14 HG2 ARG 14 25.988 10.497 -0.661
118 HG3 ARG 14 HG1 ARG 14 26.243 10.324 -2.402
119 HD2 ARG 14 HD2 ARG 14 28.253 9.600 -0.240
120 HD3 ARG 14 HD1 ARG 14 27.218 8.450 -1.103
121 HE ARG 14 HE ARG 14 29.189 10.149 -2.527
122 HH11 ARG 14 HH11 ARG 14 27.969 6.926 -1.824
123 HH12 ARG 14 HH12 ARG 14 28.936 6.170 -3.048
124 HH21 ARG 14 HH21 ARG 14 30.406 9.159 -4.146
125 HH22 ARG 14 HH22 ARG 14 30.315 7.444 -4.379
126 H VAL 15 HN VAL 15 27.371 12.816 -4.113
127 HA VAL 15 HA VAL 15 24.859 11.776 -5.258
128 HB VAL 15 HB VAL 15 24.990 14.127 -5.989
129 HG11 VAL 15 HG11 VAL 15 26.776 14.974 -7.448
130 HG12 VAL 15 HG12 VAL 15 27.641 13.443 -7.297
131 HG13 VAL 15 HG13 VAL 15 27.425 14.473 -5.884
132 HG21 VAL 15 HG21 VAL 15 25.532 12.199 -8.280
133 HG22 VAL 15 HG22 VAL 15 24.770 13.784 -8.431
134 HG23 VAL 15 HG23 VAL 15 23.964 12.501 -7.526
135 H ARG 16 HN ARG 16 25.125 9.943 -6.342
136 HA ARG 16 HA ARG 16 27.788 9.068 -7.261
137 HB2 ARG 16 HB2 ARG 16 27.304 8.046 -5.037
138 HB3 ARG 16 HB1 ARG 16 25.796 7.391 -5.664
139 HG2 ARG 16 HG2 ARG 16 27.117 6.028 -7.296
140 HG3 ARG 16 HG1 ARG 16 28.601 6.629 -6.555
141 HD2 ARG 16 HD2 ARG 16 28.066 4.405 -5.690
142 HD3 ARG 16 HD1 ARG 16 27.925 5.605 -4.401
143 HE ARG 16 HE ARG 16 25.584 5.407 -4.482
144 HH11 ARG 16 HH11 ARG 16 27.129 3.024 -6.539
145 HH12 ARG 16 HH12 ARG 16 25.693 2.065 -6.691
146 HH21 ARG 16 HH21 ARG 16 23.718 4.179 -4.709
147 HH22 ARG 16 HH22 ARG 16 23.751 2.725 -5.668
148 H LYS 17 HN LYS 17 27.642 8.673 -9.360
149 HA LYS 17 HA LYS 17 27.001 7.995 -11.404
150 HB2 LYS 17 HB2 LYS 17 26.708 5.807 -10.150
151 HB3 LYS 17 HB1 LYS 17 24.999 6.176 -9.989
152 HG2 LYS 17 HG2 LYS 17 25.378 4.575 -11.795
153 HG3 LYS 17 HG1 LYS 17 24.724 6.078 -12.434
154 HD2 LYS 17 HD2 LYS 17 26.412 5.472 -13.984
155 HD3 LYS 17 HD1 LYS 17 27.166 6.724 -13.002
156 HE2 LYS 17 HE2 LYS 17 27.567 3.738 -12.590
157 HE3 LYS 17 HE1 LYS 17 28.661 4.779 -13.495
158 HZ1 LYS 17 HZ1 LYS 17 29.058 6.035 -11.455
159 HZ2 LYS 17 HZ2 LYS 17 29.458 4.404 -11.282
160 HZ3 LYS 17 HZ3 LYS 17 28.031 4.995 -10.605
161 H GLY 18 HN GLY 18 25.693 10.288 -10.145
162 HA2 GLY 18 HA2 GLY 18 24.316 11.933 -11.015
163 HA3 GLY 18 HA1 GLY 18 23.636 10.774 -12.143
164 H LYS 19 HN LYS 19 23.591 9.559 -8.988
165 HA LYS 19 HA LYS 19 20.846 10.552 -8.445
166 HB2 LYS 19 HB2 LYS 19 22.219 7.942 -7.647
167 HB3 LYS 19 HB1 LYS 19 20.695 8.486 -6.939
168 HG2 LYS 19 HG2 LYS 19 21.169 7.916 -9.878
169 HG3 LYS 19 HG1 LYS 19 20.349 6.836 -8.739
170 HD2 LYS 19 HD2 LYS 19 18.587 8.545 -8.402
171 HD3 LYS 19 HD1 LYS 19 19.417 9.636 -9.516
172 HE2 LYS 19 HE2 LYS 19 19.078 7.953 -11.338
173 HE3 LYS 19 HE1 LYS 19 18.157 6.958 -10.205
174 HZ1 LYS 19 HZ1 LYS 19 16.585 8.797 -9.960
175 HZ2 LYS 19 HZ2 LYS 19 16.701 8.278 -11.567
176 HZ3 LYS 19 HZ3 LYS 19 17.464 9.707 -11.084
177 H VAL 20 HN VAL 20 20.946 12.186 -7.023
178 HA VAL 20 HA VAL 20 23.072 12.542 -5.132
179 HB VAL 20 HB VAL 20 20.333 13.893 -5.179
180 HG11 VAL 20 HG11 VAL 20 21.374 15.657 -3.783
181 HG12 VAL 20 HG12 VAL 20 22.864 14.717 -3.698
182 HG13 VAL 20 HG13 VAL 20 21.383 14.095 -2.965
183 HG21 VAL 20 HG21 VAL 20 22.971 14.883 -6.338
184 HG22 VAL 20 HG22 VAL 20 21.458 15.791 -6.294
185 HG23 VAL 20 HG23 VAL 20 21.575 14.323 -7.266
186 H GLU 21 HN GLU 21 23.298 11.272 -3.406
187 HA GLU 21 HA GLU 21 21.040 9.669 -2.458
188 HB2 GLU 21 HB2 GLU 21 24.003 9.328 -1.851
189 HB3 GLU 21 HB1 GLU 21 22.701 8.208 -1.436
190 HG2 GLU 21 HG2 GLU 21 22.298 7.912 -3.902
191 HG3 GLU 21 HG1 GLU 21 23.751 8.875 -4.197
192 H TYR 22 HN TYR 22 20.476 9.560 -0.361
193 HA TYR 22 HA TYR 22 21.651 11.470 1.562
194 HB2 TYR 22 HB2 TYR 22 18.688 10.849 1.093
195 HB3 TYR 22 HB1 TYR 22 19.310 11.806 2.437
196 HD1 TYR 22 HD2 TYR 22 18.713 11.772 -1.217
197 HD2 TYR 22 HD1 TYR 22 20.105 14.092 2.080
198 HE1 TYR 22 HE2 TYR 22 18.679 13.792 -2.608
199 HE2 TYR 22 HE1 TYR 22 20.058 16.100 0.691
200 HH TYR 22 HH TYR 22 18.456 16.294 -2.217
201 H LEU 23 HN LEU 23 22.700 10.111 2.920
202 HA LEU 23 HA LEU 23 21.758 7.581 3.851
203 HB2 LEU 23 HB2 LEU 23 24.130 8.399 4.080
204 HB3 LEU 23 HB1 LEU 23 23.580 9.609 5.227
205 HG LEU 23 HG LEU 23 22.885 7.768 6.786
206 HD11 LEU 23 HD11 LEU 23 24.256 5.933 4.800
207 HD12 LEU 23 HD12 LEU 23 22.529 5.973 5.175
208 HD13 LEU 23 HD13 LEU 23 23.684 5.487 6.411
209 HD21 LEU 23 HD21 LEU 23 25.158 7.185 7.529
210 HD22 LEU 23 HD22 LEU 23 25.062 8.883 7.068
211 HD23 LEU 23 HD23 LEU 23 25.818 7.716 5.978
212 H VAL 24 HN VAL 24 19.509 8.013 4.204
213 HA VAL 24 HA VAL 24 18.693 10.173 5.910
214 HB VAL 24 HB VAL 24 17.041 7.898 4.720
215 HG11 VAL 24 HG11 VAL 24 15.042 9.276 5.271
216 HG12 VAL 24 HG12 VAL 24 16.073 10.422 6.135
217 HG13 VAL 24 HG13 VAL 24 15.909 8.766 6.722
218 HG21 VAL 24 HG21 VAL 24 17.327 10.798 3.837
219 HG22 VAL 24 HG22 VAL 24 16.255 9.598 3.110
220 HG23 VAL 24 HG23 VAL 24 18.003 9.389 3.013
221 H LYS 25 HN LYS 25 18.929 10.052 8.050
222 HA LYS 25 HA LYS 25 18.858 7.554 9.510
223 HB2 LYS 25 HB2 LYS 25 20.258 9.404 10.370
224 HB3 LYS 25 HB1 LYS 25 18.848 10.445 10.512
225 HG2 LYS 25 HG2 LYS 25 19.454 9.598 12.710
226 HG3 LYS 25 HG1 LYS 25 17.895 8.925 12.221
227 HD2 LYS 25 HD2 LYS 25 19.145 6.830 11.482
228 HD3 LYS 25 HD1 LYS 25 20.594 7.516 12.224
229 HE2 LYS 25 HE2 LYS 25 18.005 6.749 13.613
230 HE3 LYS 25 HE1 LYS 25 19.574 5.962 13.776
231 HZ1 LYS 25 HZ1 LYS 25 18.859 8.698 14.698
232 HZ2 LYS 25 HZ2 LYS 25 20.414 8.035 14.777
233 HZ3 LYS 25 HZ3 LYS 25 19.156 7.344 15.671
234 H TRP 26 HN TRP 26 16.998 6.556 9.700
235 HA TRP 26 HA TRP 26 14.424 7.915 9.571
236 HB2 TRP 26 HB2 TRP 26 14.831 4.926 10.035
237 HB3 TRP 26 HB1 TRP 26 13.479 5.736 9.251
238 HD1 TRP 26 HD1 TRP 26 17.071 4.574 8.620
239 HE1 TRP 26 HE1 TRP 26 17.504 4.441 6.101
240 HE3 TRP 26 HE3 TRP 26 12.701 6.575 6.915
241 HZ2 TRP 26 HZ2 TRP 26 16.224 5.117 3.712
242 HZ3 TRP 26 HZ3 TRP 26 12.381 6.798 4.485
243 HH2 TRP 26 HH2 TRP 26 14.109 6.080 2.911
244 H LYS 27 HN LYS 27 12.944 7.942 11.381
245 HA LYS 27 HA LYS 27 14.230 8.680 13.773
246 HB2 LYS 27 HB2 LYS 27 12.106 9.677 13.109
247 HB3 LYS 27 HB1 LYS 27 11.285 8.130 13.248
248 HG2 LYS 27 HG2 LYS 27 10.746 9.569 15.144
249 HG3 LYS 27 HG1 LYS 27 11.620 8.133 15.675
250 HD2 LYS 27 HD2 LYS 27 12.455 10.061 16.900
251 HD3 LYS 27 HD1 LYS 27 13.718 9.489 15.809
252 HE2 LYS 27 HE2 LYS 27 13.612 11.933 15.798
253 HE3 LYS 27 HE1 LYS 27 13.146 11.301 14.222
254 HZ1 LYS 27 HZ1 LYS 27 11.270 12.233 16.329
255 HZ2 LYS 27 HZ2 LYS 27 10.829 11.642 14.802
256 HZ3 LYS 27 HZ3 LYS 27 11.693 13.088 14.931
257 H GLY 28 HN GLY 28 12.058 5.867 13.263
258 HA2 GLY 28 HA2 GLY 28 12.682 4.760 15.880
259 HA3 GLY 28 HA1 GLY 28 11.571 4.105 14.694
260 H TRP 29 HN TRP 29 14.454 4.691 13.113
261 HA TRP 29 HA TRP 29 15.239 1.844 13.338
262 HB2 TRP 29 HB2 TRP 29 15.383 3.677 10.902
263 HB3 TRP 29 HB1 TRP 29 15.905 1.997 10.949
264 HD1 TRP 29 HD1 TRP 29 12.620 4.076 11.209
265 HE1 TRP 29 HE1 TRP 29 10.672 2.603 10.414
266 HE3 TRP 29 HE3 TRP 29 15.144 -0.314 10.494
267 HZ2 TRP 29 HZ2 TRP 29 10.251 -0.057 9.593
268 HZ3 TRP 29 HZ3 TRP 29 13.896 -2.275 9.685
269 HH2 TRP 29 HH2 TRP 29 11.496 -2.149 9.244
270 HA PRO 30 HA PRO 30 19.149 3.579 14.827
271 HB2 PRO 30 HB2 PRO 30 20.607 1.264 14.910
272 HB3 PRO 30 HB1 PRO 30 19.302 1.604 16.056
273 HG2 PRO 30 HG2 PRO 30 19.226 -0.043 13.523
274 HG3 PRO 30 HG1 PRO 30 18.629 -0.466 15.145
275 HD2 PRO 30 HD2 PRO 30 16.961 0.446 13.228
276 HD3 PRO 30 HD1 PRO 30 16.725 0.876 14.939
277 HA PRO 31 HA PRO 31 21.879 4.509 11.412
278 HB2 PRO 31 HB2 PRO 31 24.473 4.020 12.214
279 HB3 PRO 31 HB1 PRO 31 23.504 5.375 12.817
280 HG2 PRO 31 HG2 PRO 31 23.958 2.659 14.064
281 HG3 PRO 31 HG1 PRO 31 24.080 4.268 14.819
282 HD2 PRO 31 HD2 PRO 31 21.876 2.776 15.150
283 HD3 PRO 31 HD1 PRO 31 21.738 4.534 14.927
284 H LYS 32 HN LYS 32 22.030 1.169 12.453
285 HA LYS 32 HA LYS 32 23.450 0.241 10.091
286 HB2 LYS 32 HB2 LYS 32 22.858 -2.040 10.837
287 HB3 LYS 32 HB1 LYS 32 23.649 -1.102 12.098
288 HG2 LYS 32 HG2 LYS 32 21.565 -0.792 13.274
289 HG3 LYS 32 HG1 LYS 32 20.648 -1.508 11.945
290 HD2 LYS 32 HD2 LYS 32 21.699 -3.689 12.353
291 HD3 LYS 32 HD1 LYS 32 22.711 -2.993 13.622
292 HE2 LYS 32 HE2 LYS 32 19.675 -3.059 13.731
293 HE3 LYS 32 HE1 LYS 32 20.719 -4.282 14.463
294 HZ1 LYS 32 HZ1 LYS 32 20.004 -2.587 16.054
295 HZ2 LYS 32 HZ2 LYS 32 20.772 -1.387 15.132
296 HZ3 LYS 32 HZ3 LYS 32 21.680 -2.597 15.870
297 H TYR 33 HN TYR 33 20.308 1.329 10.646
298 HA TYR 33 HA TYR 33 19.291 0.074 8.162
299 HB2 TYR 33 HB2 TYR 33 17.820 1.075 10.624
300 HB3 TYR 33 HB1 TYR 33 16.991 0.814 9.092
301 HD1 TYR 33 HD2 TYR 33 18.637 -0.847 11.939
302 HD2 TYR 33 HD1 TYR 33 16.636 -1.452 8.215
303 HE1 TYR 33 HE2 TYR 33 18.346 -3.224 12.480
304 HE2 TYR 33 HE1 TYR 33 16.347 -3.828 8.758
305 HH TYR 33 HH TYR 33 17.452 -5.534 10.196
306 H SER 34 HN SER 34 20.390 3.055 9.503
307 HA SER 34 HA SER 34 19.029 4.857 7.772
308 HB2 SER 34 HB2 SER 34 20.928 6.412 8.157
309 HB3 SER 34 HB1 SER 34 20.399 5.689 9.670
310 HG SER 34 HG SER 34 22.347 4.196 8.512
311 H THR 35 HN THR 35 19.083 4.921 5.580
312 HA THR 35 HA THR 35 21.235 3.423 4.176
313 HB THR 35 HB THR 35 19.370 2.741 2.522
314 HG1 THR 35 HG1 THR 35 17.423 3.403 2.947
315 HG21 THR 35 HG21 THR 35 20.325 1.097 4.097
316 HG22 THR 35 HG22 THR 35 18.591 0.835 3.898
317 HG23 THR 35 HG23 THR 35 19.203 1.629 5.350
318 H TRP 36 HN TRP 36 21.833 4.094 2.146
319 HA TRP 36 HA TRP 36 21.541 6.895 1.509
320 HB2 TRP 36 HB2 TRP 36 23.017 4.637 0.070
321 HB3 TRP 36 HB1 TRP 36 23.077 6.325 -0.418
322 HD1 TRP 36 HD1 TRP 36 24.563 3.894 2.114
323 HE1 TRP 36 HE1 TRP 36 26.460 5.091 3.372
324 HE3 TRP 36 HE3 TRP 36 23.732 8.664 0.480
325 HZ2 TRP 36 HZ2 TRP 36 27.465 7.711 3.640
326 HZ3 TRP 36 HZ3 TRP 36 25.204 10.463 1.287
327 HH2 TRP 36 HH2 TRP 36 27.030 9.991 2.837
328 H GLU 37 HN GLU 37 19.344 7.043 1.026
329 HA GLU 37 HA GLU 37 18.328 5.672 -1.380
330 HB2 GLU 37 HB2 GLU 37 16.884 7.308 0.736
331 HB3 GLU 37 HB1 GLU 37 16.113 6.445 -0.590
332 HG2 GLU 37 HG2 GLU 37 17.638 5.196 1.718
333 HG3 GLU 37 HG1 GLU 37 15.885 5.295 1.580
334 HA PRO 38 HA PRO 38 19.327 9.351 -3.657
335 HB2 PRO 38 HB2 PRO 38 17.352 8.591 -5.750
336 HB3 PRO 38 HB1 PRO 38 19.117 8.652 -5.836
337 HG2 PRO 38 HG2 PRO 38 17.776 6.310 -5.808
338 HG3 PRO 38 HG1 PRO 38 19.368 6.485 -5.044
339 HD2 PRO 38 HD2 PRO 38 16.635 6.507 -3.753
340 HD3 PRO 38 HD1 PRO 38 18.116 5.659 -3.244
341 H GLU 39 HN GLU 39 18.426 11.192 -4.811
342 HA GLU 39 HA GLU 39 17.079 12.865 -3.125
343 HB2 GLU 39 HB2 GLU 39 17.063 14.440 -5.078
344 HB3 GLU 39 HB1 GLU 39 18.600 13.615 -4.866
345 HG2 GLU 39 HG2 GLU 39 17.805 11.954 -6.637
346 HG3 GLU 39 HG1 GLU 39 16.471 13.055 -6.948
347 H GLU 40 HN GLU 40 15.626 10.839 -5.558
348 HA GLU 40 HA GLU 40 13.208 12.206 -6.022
349 HB2 GLU 40 HB2 GLU 40 14.026 10.499 -7.542
350 HB3 GLU 40 HB1 GLU 40 13.972 9.277 -6.281
351 HG2 GLU 40 HG2 GLU 40 11.501 9.428 -6.259
352 HG3 GLU 40 HG1 GLU 40 11.577 10.634 -7.548
353 H HIS 41 HN HIS 41 14.046 9.628 -3.687
354 HA HIS 41 HA HIS 41 11.429 9.000 -2.850
355 HB2 HIS 41 HB2 HIS 41 12.398 7.516 -1.365
356 HB3 HIS 41 HB1 HIS 41 13.707 7.723 -2.513
357 HD1 HIS 41 HD1 HIS 41 15.172 10.126 -1.535
358 HD2 HIS 41 HD2 HIS 41 13.504 7.402 1.078
359 HE1 HIS 41 HE1 HIS 41 16.442 10.401 0.604
360 HE2 HIS 41 HE2 HIS 41 15.572 8.554 2.072
361 H ILE 42 HN ILE 42 13.277 11.768 -2.009
362 HA ILE 42 HA ILE 42 12.392 12.280 0.651
363 HB ILE 42 HB ILE 42 13.319 14.261 -1.493
364 HG12 ILE 42 HG12 ILE 42 15.006 12.433 -0.897
365 HG13 ILE 42 HG11 ILE 42 15.566 14.080 -0.647
366 HG21 ILE 42 HG21 ILE 42 13.878 15.770 0.403
367 HG22 ILE 42 HG22 ILE 42 13.119 14.631 1.518
368 HG23 ILE 42 HG23 ILE 42 12.149 15.440 0.285
369 HD11 ILE 42 HD11 ILE 42 16.265 12.578 1.144
370 HD12 ILE 42 HD12 ILE 42 14.580 12.225 1.525
371 HD13 ILE 42 HD13 ILE 42 15.214 13.858 1.753
372 H LEU 43 HN LEU 43 10.243 12.576 1.192
373 HA LEU 43 HA LEU 43 8.267 13.354 -0.814
374 HB2 LEU 43 HB2 LEU 43 7.858 12.883 2.169
375 HB3 LEU 43 HB1 LEU 43 6.605 12.953 0.934
376 HG LEU 43 HG LEU 43 8.689 10.765 1.302
377 HD11 LEU 43 HD11 LEU 43 6.839 10.681 2.898
378 HD12 LEU 43 HD12 LEU 43 6.767 9.336 1.771
379 HD13 LEU 43 HD13 LEU 43 5.669 10.703 1.577
380 HD21 LEU 43 HD21 LEU 43 7.563 9.594 -0.552
381 HD22 LEU 43 HD22 LEU 43 8.363 11.069 -1.072
382 HD23 LEU 43 HD23 LEU 43 6.607 11.039 -0.882
383 H ASP 44 HN ASP 44 10.277 15.067 1.270
384 HA ASP 44 HA ASP 44 8.517 17.393 1.538
385 HB2 ASP 44 HB2 ASP 44 7.966 16.021 3.494
386 HB3 ASP 44 HB1 ASP 44 9.670 15.775 3.863
387 HA PRO 45 HA PRO 45 12.666 19.057 0.523
388 HB2 PRO 45 HB2 PRO 45 12.016 21.735 0.668
389 HB3 PRO 45 HB1 PRO 45 11.641 20.716 -0.729
390 HG2 PRO 45 HG2 PRO 45 9.854 21.490 1.589
391 HG3 PRO 45 HG1 PRO 45 9.490 21.498 -0.154
392 HD2 PRO 45 HD2 PRO 45 8.658 19.483 1.414
393 HD3 PRO 45 HD1 PRO 45 9.226 19.166 -0.239
394 H ARG 46 HN ARG 46 10.783 19.987 3.316
395 HA ARG 46 HA ARG 46 12.721 21.593 4.657
396 HB2 ARG 46 HB2 ARG 46 10.389 20.110 5.942
397 HB3 ARG 46 HB1 ARG 46 11.155 21.594 6.513
398 HG2 ARG 46 HG2 ARG 46 10.148 22.898 4.794
399 HG3 ARG 46 HG1 ARG 46 9.719 21.473 3.847
400 HD2 ARG 46 HD2 ARG 46 8.099 20.812 5.625
401 HD3 ARG 46 HD1 ARG 46 8.490 22.294 6.499
402 HE ARG 46 HE ARG 46 7.488 23.574 4.747
403 HH11 ARG 46 HH11 ARG 46 6.900 20.116 4.412
404 HH12 ARG 46 HH12 ARG 46 5.527 20.345 3.375
405 HH21 ARG 46 HH21 ARG 46 5.704 23.853 3.387
406 HH22 ARG 46 HH22 ARG 46 4.849 22.460 2.801
407 H LEU 47 HN LEU 47 12.195 18.172 4.438
408 HA LEU 47 HA LEU 47 13.589 17.148 6.645
409 HB2 LEU 47 HB2 LEU 47 12.252 15.723 5.234
410 HB3 LEU 47 HB1 LEU 47 13.183 16.141 3.811
411 HG LEU 47 HG LEU 47 15.092 14.831 4.610
412 HD11 LEU 47 HD11 LEU 47 14.911 15.143 7.011
413 HD12 LEU 47 HD12 LEU 47 14.955 13.426 6.619
414 HD13 LEU 47 HD13 LEU 47 13.423 14.190 7.052
415 HD21 LEU 47 HD21 LEU 47 14.122 12.581 4.431
416 HD22 LEU 47 HD22 LEU 47 13.369 13.678 3.274
417 HD23 LEU 47 HD23 LEU 47 12.512 13.230 4.753
418 H VAL 48 HN VAL 48 14.831 17.941 3.387
419 HA VAL 48 HA VAL 48 17.606 17.433 4.081
420 HB VAL 48 HB VAL 48 16.490 18.783 1.576
421 HG11 VAL 48 HG11 VAL 48 18.603 18.062 0.500
422 HG12 VAL 48 HG12 VAL 48 19.166 17.404 2.038
423 HG13 VAL 48 HG13 VAL 48 18.910 19.141 1.866
424 HG21 VAL 48 HG21 VAL 48 16.573 16.566 0.483
425 HG22 VAL 48 HG22 VAL 48 15.457 16.557 1.850
426 HG23 VAL 48 HG23 VAL 48 17.054 15.820 2.010
427 H MET 49 HN MET 49 15.470 20.181 3.730
428 HA MET 49 HA MET 49 17.399 22.269 3.823
429 HB2 MET 49 HB2 MET 49 14.399 22.264 4.344
430 HB3 MET 49 HB1 MET 49 15.381 23.739 4.297
431 HG2 MET 49 HG2 MET 49 14.861 21.794 2.039
432 HG3 MET 49 HG1 MET 49 14.244 23.440 2.193
433 HE1 MET 49 HE1 MET 49 16.747 23.540 -0.878
434 HE2 MET 49 HE2 MET 49 15.067 23.715 -0.374
435 HE3 MET 49 HE3 MET 49 15.821 22.120 -0.392
436 H ALA 50 HN ALA 50 15.738 20.432 6.343
437 HA ALA 50 HA ALA 50 16.464 22.194 8.524
438 HB1 ALA 50 HB1 ALA 50 14.500 20.715 8.713
439 HB2 ALA 50 HB2 ALA 50 15.658 20.403 10.008
440 HB3 ALA 50 HB3 ALA 50 15.548 19.300 8.630
441 H TYR 51 HN TYR 51 17.906 19.399 6.945
442 HA TYR 51 HA TYR 51 19.895 18.697 8.815
443 HB2 TYR 51 HB2 TYR 51 19.392 17.232 6.932
444 HB3 TYR 51 HB1 TYR 51 19.849 18.477 5.774
445 HD1 TYR 51 HD2 TYR 51 21.431 16.729 8.724
446 HD2 TYR 51 HD1 TYR 51 21.926 18.111 4.710
447 HE1 TYR 51 HE2 TYR 51 23.715 15.834 8.698
448 HE2 TYR 51 HE1 TYR 51 24.219 17.220 4.683
449 HH TYR 51 HH TYR 51 26.019 16.676 6.447
450 H GLU 52 HN GLU 52 20.020 20.895 6.029
451 HA GLU 52 HA GLU 52 22.674 21.916 6.703
452 HB2 GLU 52 HB2 GLU 52 20.733 22.659 4.474
453 HB3 GLU 52 HB1 GLU 52 22.417 23.173 4.589
454 HG2 GLU 52 HG2 GLU 52 23.228 20.959 4.203
455 HG3 GLU 52 HG1 GLU 52 21.624 20.251 4.425
456 H GLU 53 HN GLU 53 19.488 22.633 7.540
457 HA GLU 53 HA GLU 53 18.366 24.287 8.545
458 HB2 GLU 53 HB2 GLU 53 21.147 25.243 9.347
459 HB3 GLU 53 HB1 GLU 53 19.639 25.862 10.024
460 HG2 GLU 53 HG2 GLU 53 19.097 23.592 10.865
461 HG3 GLU 53 HG1 GLU 53 20.627 22.997 10.217
462 H LYS 54 HN LYS 54 18.800 24.544 5.804
463 HA LYS 54 HA LYS 54 19.481 27.186 5.005
464 HB2 LYS 54 HB2 LYS 54 19.445 25.204 3.438
465 HB3 LYS 54 HB1 LYS 54 17.694 25.184 3.544
466 HG2 LYS 54 HG2 LYS 54 17.773 26.454 1.656
467 HG3 LYS 54 HG1 LYS 54 18.097 27.788 2.758
468 HD2 LYS 54 HD2 LYS 54 20.128 26.191 1.140
469 HD3 LYS 54 HD1 LYS 54 19.683 27.881 0.920
470 HE2 LYS 54 HE2 LYS 54 20.720 28.440 3.075
471 HE3 LYS 54 HE1 LYS 54 21.118 26.743 3.342
472 HZ1 LYS 54 HZ1 LYS 54 22.154 28.427 1.132
473 HZ2 LYS 54 HZ2 LYS 54 22.562 26.811 1.427
474 HZ3 LYS 54 HZ3 LYS 54 22.996 28.007 2.537
475 H GLU 55 HN GLU 55 18.402 28.900 5.713
476 HA GLU 55 HA GLU 55 15.546 28.806 6.389
477 HB2 GLU 55 HB2 GLU 55 17.610 31.020 6.788
478 HB3 GLU 55 HB1 GLU 55 15.975 30.995 7.453
479 HG2 GLU 55 HG2 GLU 55 16.559 29.015 8.802
480 HG3 GLU 55 HG1 GLU 55 18.191 29.034 8.133
481 H GLU 56 HN GLU 56 17.419 29.545 3.700
482 HA GLU 56 HA GLU 56 15.772 31.761 2.708
483 HB2 GLU 56 HB2 GLU 56 18.143 30.517 1.258
484 HB3 GLU 56 HB1 GLU 56 17.430 32.101 1.016
485 HG2 GLU 56 HG2 GLU 56 19.251 32.786 2.198
486 HG3 GLU 56 HG1 GLU 56 18.219 32.422 3.574
487 H1 ALA 1 HT1 ALA 1 -1.452 21.875 14.658
488 H2 ALA 1 HT2 ALA 1 -0.362 22.685 13.654
489 H3 ALA 1 HT3 ALA 1 0.158 22.067 15.138
490 HA ALA 1 HA ALA 1 -0.173 19.833 14.414
491 HB1 ALA 1 HB1 ALA 1 -2.117 20.230 12.961
492 HB2 ALA 1 HB2 ALA 1 -0.864 19.342 12.092
493 HB3 ALA 1 HB3 ALA 1 -1.089 21.067 11.793
494 H ARG 2 HN ARG 2 1.247 18.733 12.632
495 HA ARG 2 HA ARG 2 3.534 20.382 11.810
496 HB2 ARG 2 HB2 ARG 2 5.129 18.609 12.623
497 HB3 ARG 2 HB1 ARG 2 4.331 19.498 13.910
498 HG2 ARG 2 HG2 ARG 2 3.288 16.799 13.013
499 HG3 ARG 2 HG1 ARG 2 4.638 16.920 14.141
500 HD2 ARG 2 HD2 ARG 2 3.249 18.133 15.737
501 HD3 ARG 2 HD1 ARG 2 1.901 18.162 14.598
502 HE ARG 2 HE ARG 2 1.884 15.670 14.783
503 HH11 ARG 2 HH11 ARG 2 3.316 17.491 17.448
504 HH12 ARG 2 HH12 ARG 2 2.854 16.319 18.637
505 HH21 ARG 2 HH21 ARG 2 1.273 14.167 16.386
506 HH22 ARG 2 HH22 ARG 2 1.705 14.450 18.042
507 H THR 3 HN THR 3 4.476 19.742 9.901
508 HA THR 3 HA THR 3 2.999 18.012 8.160
509 HB THR 3 HB THR 3 4.886 18.464 6.515
510 HG1 THR 3 HG1 THR 3 6.452 18.768 8.334
511 HG21 THR 3 HG21 THR 3 2.951 20.010 6.602
512 HG22 THR 3 HG22 THR 3 4.442 20.874 6.226
513 HG23 THR 3 HG23 THR 3 3.766 20.960 7.854
514 H LYS 4 HN LYS 4 3.756 16.098 7.128
515 HA LYS 4 HA LYS 4 5.267 14.343 8.887
516 HB2 LYS 4 HB2 LYS 4 3.806 13.799 6.263
517 HB3 LYS 4 HB1 LYS 4 4.718 12.572 7.127
518 HG2 LYS 4 HG2 LYS 4 2.456 12.210 7.704
519 HG3 LYS 4 HG1 LYS 4 3.191 12.970 9.116
520 HD2 LYS 4 HD2 LYS 4 2.216 15.164 8.376
521 HD3 LYS 4 HD1 LYS 4 1.422 14.318 7.041
522 HE2 LYS 4 HE2 LYS 4 0.228 12.893 8.726
523 HE3 LYS 4 HE1 LYS 4 0.948 13.871 10.010
524 HZ1 LYS 4 HZ1 LYS 4 -1.266 14.601 9.507
525 HZ2 LYS 4 HZ2 LYS 4 -0.870 14.837 7.882
526 HZ3 LYS 4 HZ3 LYS 4 -0.169 15.806 9.072
527 H GLN 5 HN GLN 5 7.365 15.390 8.713
528 HA GLN 5 HA GLN 5 8.953 15.152 6.373
529 HB2 GLN 5 HB2 GLN 5 9.635 15.183 9.337
530 HB3 GLN 5 HB1 GLN 5 10.879 14.784 8.158
531 HG2 GLN 5 HG2 GLN 5 11.058 17.120 8.710
532 HG3 GLN 5 HG1 GLN 5 10.512 16.971 7.044
533 HE21 GLN 5 HE21 GLN 5 9.574 18.978 6.920
534 HE22 GLN 5 HE22 GLN 5 8.186 19.463 7.824
535 H THR 6 HN THR 6 8.688 13.330 5.266
536 HA THR 6 HA THR 6 9.431 10.742 6.420
537 HB THR 6 HB THR 6 7.459 9.734 5.014
538 HG1 THR 6 HG1 THR 6 6.509 12.398 5.400
539 HG21 THR 6 HG21 THR 6 7.487 9.614 7.486
540 HG22 THR 6 HG22 THR 6 5.854 9.906 6.883
541 HG23 THR 6 HG23 THR 6 6.786 11.235 7.576
542 H ALA 7 HN ALA 7 9.832 9.121 4.747
543 HA ALA 7 HA ALA 7 10.511 10.109 2.081
544 HB1 ALA 7 HB1 ALA 7 12.479 10.661 3.483
545 HB2 ALA 7 HB2 ALA 7 12.862 9.452 2.264
546 HB3 ALA 7 HB3 ALA 7 12.630 8.963 3.945
547 H ARG 8 HN ARG 8 10.486 8.468 0.561
548 HA ARG 8 HA ARG 8 9.277 5.940 1.136
549 HB2 ARG 8 HB2 ARG 8 10.621 7.084 -1.343
550 HB3 ARG 8 HB1 ARG 8 9.853 5.499 -1.342
551 HG2 ARG 8 HG2 ARG 8 8.296 7.959 -0.547
552 HG3 ARG 8 HG1 ARG 8 8.568 7.591 -2.253
553 HD2 ARG 8 HD2 ARG 8 7.470 5.398 -1.944
554 HD3 ARG 8 HD1 ARG 8 7.219 5.770 -0.236
555 HE ARG 8 HE ARG 8 5.603 7.381 -0.808
556 HH11 ARG 8 HH11 ARG 8 6.812 5.750 -3.697
557 HH12 ARG 8 HH12 ARG 8 5.478 6.271 -4.673
558 HH21 ARG 8 HH21 ARG 8 3.870 8.036 -2.119
559 HH22 ARG 8 HH22 ARG 8 3.826 7.563 -3.788
560 H M3L 9 HN M3L 9 10.288 3.858 0.236
561 HA M3L 9 HA M3L 9 13.240 3.917 0.022
562 HB2 M3L 9 HB2 M3L 9 11.590 1.691 1.316
563 HB3 M3L 9 HB1 M3L 9 13.270 1.507 0.804
564 HG2 M3L 9 HG2 M3L 9 13.860 3.422 2.356
565 HG3 M3L 9 HG1 M3L 9 12.206 3.334 2.983
566 HD2 M3L 9 HD2 M3L 9 12.634 0.939 3.625
567 HD3 M3L 9 HD1 M3L 9 14.305 1.124 3.069
568 HE2 M3L 9 HE2 M3L 9 14.598 2.977 4.747
569 HE3 M3L 9 HE1 M3L 9 12.969 2.655 5.344
570 HM11 M3L 9 HH33 M3L 9 13.880 2.267 7.635
571 HM12 M3L 9 HH31 M3L 9 15.513 2.597 7.046
572 HM13 M3L 9 HH32 M3L 9 15.168 1.087 7.897
573 HM21 M3L 9 HH11 M3L 9 15.480 0.047 4.340
574 HM22 M3L 9 HH12 M3L 9 16.112 -0.199 5.970
575 HM23 M3L 9 HH13 M3L 9 16.444 1.311 5.111
576 HM31 M3L 9 HH21 M3L 9 12.493 0.472 6.554
577 HM32 M3L 9 HH22 M3L 9 13.799 -0.688 6.818
578 HM33 M3L 9 HH23 M3L 9 13.141 -0.451 5.195
579 H SER 10 HN SER 10 13.961 1.863 -1.230
580 HA SER 10 HA SER 10 12.885 1.759 -3.808
581 HB2 SER 10 HB2 SER 10 15.182 1.006 -3.181
582 HB3 SER 10 HB1 SER 10 14.495 -0.407 -2.380
583 HG SER 10 HG SER 10 15.303 -0.632 -4.638
584 H THR 11 HN THR 11 12.164 -0.146 -0.942
585 HA THR 11 HA THR 11 10.558 -1.604 -0.309
586 HB THR 11 HB THR 11 8.895 -0.656 -2.691
587 HG1 THR 11 HG1 THR 11 9.670 1.170 -1.579
588 HG21 THR 11 HG21 THR 11 8.011 -1.529 0.100
589 HG22 THR 11 HG22 THR 11 7.867 -2.514 -1.360
590 HG23 THR 11 HG23 THR 11 6.954 -1.011 -1.208
591 H GLY 12 HN GLY 12 12.629 -2.368 -2.345
592 HA2 GLY 12 HA2 GLY 12 13.172 -4.372 -3.449
593 HA3 GLY 12 HA1 GLY 12 11.463 -4.782 -3.550
594 H GLY 13 HN GLY 13 10.245 -4.060 -5.312
595 HA2 GLY 13 HA2 GLY 13 9.723 -3.095 -7.346
596 HA3 GLY 13 HA1 GLY 13 11.081 -2.002 -7.134
597 H LYS 14 HN LYS 14 9.931 -4.858 -8.667
598 HA LYS 14 HA LYS 14 10.727 -6.417 -10.081
599 HB2 LYS 14 HB2 LYS 14 12.934 -4.379 -10.602
600 HB3 LYS 14 HB1 LYS 14 12.695 -5.843 -11.556
601 HG2 LYS 14 HG2 LYS 14 10.465 -5.022 -12.260
602 HG3 LYS 14 HG1 LYS 14 10.692 -3.570 -11.282
603 HD2 LYS 14 HD2 LYS 14 11.149 -3.082 -13.635
604 HD3 LYS 14 HD1 LYS 14 12.628 -2.920 -12.685
605 HE2 LYS 14 HE2 LYS 14 13.341 -5.181 -13.457
606 HE3 LYS 14 HE1 LYS 14 11.875 -5.295 -14.436
607 HZ1 LYS 14 HZ1 LYS 14 13.706 -4.606 -15.793
608 HZ2 LYS 14 HZ2 LYS 14 14.071 -3.324 -14.754
609 HZ3 LYS 14 HZ3 LYS 14 12.630 -3.309 -15.642
610 H ALA 15 HN ALA 15 11.629 -6.279 -7.241
611 HA ALA 15 HA ALA 15 13.533 -8.483 -7.303
612 HB1 ALA 15 HB1 ALA 15 15.012 -6.511 -7.148
613 HB2 ALA 15 HB2 ALA 15 15.045 -7.426 -5.638
614 HB3 ALA 15 HB3 ALA 15 14.115 -5.927 -5.746
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 8.364 -3.888 -1.410
2 H2 GLY 1 HT2 GLY 1 9.315 -2.780 -0.559
3 H3 GLY 1 HT3 GLY 1 9.179 -2.664 -2.239
4 HA2 GLY 1 HA1 GLY 1 6.855 -2.124 -2.074
5 HA3 GLY 1 HA2 GLY 1 6.939 -2.311 -0.326
6 H GLU 2 HN GLU 2 6.137 0.050 -1.856
7 HA GLU 2 HA GLU 2 8.207 2.050 -1.557
8 HB2 GLU 2 HB2 GLU 2 5.219 2.319 -2.117
9 HB3 GLU 2 HB1 GLU 2 6.373 3.653 -2.161
10 HG2 GLU 2 HG2 GLU 2 7.573 2.594 -4.022
11 HG3 GLU 2 HG1 GLU 2 6.505 1.193 -3.949
12 H GLN 3 HN GLN 3 8.721 1.546 0.623
13 HA GLN 3 HA GLN 3 6.749 1.905 2.721
14 HB2 GLN 3 HB2 GLN 3 9.665 1.040 2.879
15 HB3 GLN 3 HB1 GLN 3 8.530 1.057 4.231
16 HG2 GLN 3 HG2 GLN 3 7.107 -0.578 2.961
17 HG3 GLN 3 HG1 GLN 3 8.379 -0.683 1.747
18 HE21 GLN 3 HE21 GLN 3 7.275 -2.777 3.458
19 HE22 GLN 3 HE22 GLN 3 8.599 -3.422 4.360
20 H VAL 4 HN VAL 4 6.397 3.811 3.576
21 HA VAL 4 HA VAL 4 8.586 5.793 3.853
22 HB VAL 4 HB VAL 4 6.782 7.534 4.024
23 HG11 VAL 4 HG11 VAL 4 6.739 5.930 1.435
24 HG12 VAL 4 HG12 VAL 4 7.922 7.160 1.878
25 HG13 VAL 4 HG13 VAL 4 6.242 7.616 1.612
26 HG21 VAL 4 HG21 VAL 4 4.461 7.017 3.304
27 HG22 VAL 4 HG22 VAL 4 4.893 6.121 4.763
28 HG23 VAL 4 HG23 VAL 4 4.875 5.300 3.201
29 H PHE 5 HN PHE 5 9.271 6.166 5.850
30 HA PHE 5 HA PHE 5 7.569 5.512 8.197
31 HB2 PHE 5 HB2 PHE 5 10.504 4.822 7.710
32 HB3 PHE 5 HB1 PHE 5 9.852 4.931 9.341
33 HD1 PHE 5 HD2 PHE 5 9.124 3.214 6.061
34 HD2 PHE 5 HD1 PHE 5 9.017 2.971 10.328
35 HE1 PHE 5 HE2 PHE 5 8.338 0.890 5.916
36 HE2 PHE 5 HE1 PHE 5 8.234 0.647 10.169
37 HZ PHE 5 HZ PHE 5 7.893 -0.393 7.967
38 H ALA 6 HN ALA 6 8.204 6.677 10.157
39 HA ALA 6 HA ALA 6 8.560 9.469 9.762
40 HB1 ALA 6 HB1 ALA 6 8.747 7.876 12.346
41 HB2 ALA 6 HB2 ALA 6 7.274 8.574 11.671
42 HB3 ALA 6 HB3 ALA 6 8.576 9.631 12.220
43 H VAL 7 HN VAL 7 10.405 10.350 9.187
44 HA VAL 7 HA VAL 7 12.983 9.134 9.484
45 HB VAL 7 HB VAL 7 13.864 11.147 8.373
46 HG11 VAL 7 HG11 VAL 7 12.609 11.018 6.240
47 HG12 VAL 7 HG12 VAL 7 11.295 10.172 7.061
48 HG13 VAL 7 HG13 VAL 7 12.887 9.417 6.933
49 HG21 VAL 7 HG21 VAL 7 11.067 12.317 8.708
50 HG22 VAL 7 HG22 VAL 7 12.360 13.046 7.760
51 HG23 VAL 7 HG23 VAL 7 12.543 12.877 9.502
52 H GLU 8 HN GLU 8 14.720 9.882 10.656
53 HA GLU 8 HA GLU 8 14.293 11.599 12.980
54 HB2 GLU 8 HB2 GLU 8 15.690 9.499 13.104
55 HB3 GLU 8 HB1 GLU 8 16.826 10.225 11.980
56 HG2 GLU 8 HG2 GLU 8 17.656 10.389 14.262
57 HG3 GLU 8 HG1 GLU 8 17.337 11.993 13.594
58 H SER 9 HN SER 9 16.664 11.399 10.318
59 HA SER 9 HA SER 9 16.407 14.100 9.413
60 HB2 SER 9 HB2 SER 9 18.931 13.382 10.995
61 HB3 SER 9 HB1 SER 9 18.765 14.817 9.983
62 HG SER 9 HG SER 9 17.361 14.196 12.371
63 H ILE 10 HN ILE 10 18.175 14.509 7.691
64 HA ILE 10 HA ILE 10 19.056 12.129 6.269
65 HB ILE 10 HB ILE 10 19.934 15.037 5.885
66 HG12 ILE 10 HG12 ILE 10 17.498 14.793 5.529
67 HG13 ILE 10 HG11 ILE 10 18.329 15.187 4.032
68 HG21 ILE 10 HG21 ILE 10 21.546 13.477 4.913
69 HG22 ILE 10 HG22 ILE 10 20.688 14.338 3.633
70 HG23 ILE 10 HG23 ILE 10 20.261 12.666 4.011
71 HD11 ILE 10 HD11 ILE 10 16.595 13.570 3.646
72 HD12 ILE 10 HD12 ILE 10 17.284 12.475 4.842
73 HD13 ILE 10 HD13 ILE 10 18.163 12.824 3.350
74 H ARG 11 HN ARG 11 20.722 10.965 7.064
75 HA ARG 11 HA ARG 11 22.568 11.888 9.048
76 HB2 ARG 11 HB2 ARG 11 21.676 9.463 8.613
77 HB3 ARG 11 HB1 ARG 11 22.922 9.356 7.386
78 HG2 ARG 11 HG2 ARG 11 23.412 9.825 10.357
79 HG3 ARG 11 HG1 ARG 11 23.544 8.271 9.538
80 HD2 ARG 11 HD2 ARG 11 25.373 9.248 8.121
81 HD3 ARG 11 HD1 ARG 11 25.273 10.725 9.087
82 HE ARG 11 HE ARG 11 25.782 8.218 10.513
83 HH11 ARG 11 HH11 ARG 11 27.082 11.260 9.312
84 HH12 ARG 11 HH12 ARG 11 28.587 11.074 10.147
85 HH21 ARG 11 HH21 ARG 11 27.763 8.003 11.581
86 HH22 ARG 11 HH22 ARG 11 28.979 9.224 11.420
87 H LYS 12 HN LYS 12 23.006 10.896 5.603
88 HA LYS 12 HA LYS 12 25.260 12.807 5.330
89 HB2 LYS 12 HB2 LYS 12 25.240 9.900 4.397
90 HB3 LYS 12 HB1 LYS 12 26.414 11.094 3.839
91 HG2 LYS 12 HG2 LYS 12 27.227 11.388 6.143
92 HG3 LYS 12 HG1 LYS 12 26.041 10.212 6.714
93 HD2 LYS 12 HD2 LYS 12 27.125 8.442 5.409
94 HD3 LYS 12 HD1 LYS 12 28.264 9.611 4.730
95 HE2 LYS 12 HE2 LYS 12 28.051 8.859 7.670
96 HE3 LYS 12 HE1 LYS 12 29.290 8.294 6.547
97 HZ1 LYS 12 HZ1 LYS 12 28.845 11.112 7.381
98 HZ2 LYS 12 HZ2 LYS 12 29.999 10.608 6.255
99 HZ3 LYS 12 HZ3 LYS 12 30.120 10.114 7.868
100 H LYS 13 HN LYS 13 25.790 13.262 3.065
101 HA LYS 13 HA LYS 13 23.636 13.026 1.102
102 HB2 LYS 13 HB2 LYS 13 22.952 15.038 2.329
103 HB3 LYS 13 HB1 LYS 13 24.585 15.694 2.261
104 HG2 LYS 13 HG2 LYS 13 24.412 15.960 -0.167
105 HG3 LYS 13 HG1 LYS 13 22.815 15.214 -0.154
106 HD2 LYS 13 HD2 LYS 13 21.983 17.128 1.251
107 HD3 LYS 13 HD1 LYS 13 23.582 17.876 1.114
108 HE2 LYS 13 HE2 LYS 13 23.325 17.937 -1.352
109 HE3 LYS 13 HE1 LYS 13 21.723 17.216 -1.197
110 HZ1 LYS 13 HZ1 LYS 13 21.056 19.178 0.081
111 HZ2 LYS 13 HZ2 LYS 13 21.549 19.565 -1.487
112 HZ3 LYS 13 HZ3 LYS 13 22.578 19.863 -0.178
113 H ARG 14 HN ARG 14 24.454 13.104 -0.967
114 HA ARG 14 HA ARG 14 27.153 13.957 -1.590
115 HB2 ARG 14 HB2 ARG 14 28.039 11.733 -2.107
116 HB3 ARG 14 HB1 ARG 14 27.524 11.771 -0.421
117 HG2 ARG 14 HG2 ARG 14 25.387 10.640 -1.104
118 HG3 ARG 14 HG1 ARG 14 26.029 10.502 -2.746
119 HD2 ARG 14 HD2 ARG 14 27.192 9.269 -0.231
120 HD3 ARG 14 HD1 ARG 14 26.335 8.414 -1.521
121 HE ARG 14 HE ARG 14 28.905 9.816 -1.985
122 HH11 ARG 14 HH11 ARG 14 26.877 6.989 -2.453
123 HH12 ARG 14 HH12 ARG 14 28.128 6.080 -3.237
124 HH21 ARG 14 HH21 ARG 14 30.516 8.617 -3.043
125 HH22 ARG 14 HH22 ARG 14 30.186 6.997 -3.554
126 H VAL 15 HN VAL 15 27.692 13.157 -3.925
127 HA VAL 15 HA VAL 15 25.289 12.601 -5.560
128 HB VAL 15 HB VAL 15 27.613 14.322 -6.560
129 HG11 VAL 15 HG11 VAL 15 24.864 13.794 -7.775
130 HG12 VAL 15 HG12 VAL 15 26.388 13.091 -8.323
131 HG13 VAL 15 HG13 VAL 15 26.118 14.829 -8.470
132 HG21 VAL 15 HG21 VAL 15 24.905 15.323 -5.589
133 HG22 VAL 15 HG22 VAL 15 26.131 16.305 -6.394
134 HG23 VAL 15 HG23 VAL 15 26.463 15.607 -4.807
135 H ARG 16 HN ARG 16 25.540 10.663 -6.440
136 HA ARG 16 HA ARG 16 28.092 9.692 -7.480
137 HB2 ARG 16 HB2 ARG 16 27.938 8.919 -5.102
138 HB3 ARG 16 HB1 ARG 16 26.390 8.172 -5.458
139 HG2 ARG 16 HG2 ARG 16 28.124 6.488 -5.366
140 HG3 ARG 16 HG1 ARG 16 27.483 6.603 -7.004
141 HD2 ARG 16 HD2 ARG 16 29.444 7.763 -7.777
142 HD3 ARG 16 HD1 ARG 16 30.042 7.981 -6.128
143 HE ARG 16 HE ARG 16 30.350 5.560 -6.014
144 HH11 ARG 16 HH11 ARG 16 30.173 6.935 -9.256
145 HH12 ARG 16 HH12 ARG 16 31.020 5.606 -9.970
146 HH21 ARG 16 HH21 ARG 16 31.480 3.869 -6.966
147 HH22 ARG 16 HH22 ARG 16 31.757 3.866 -8.678
148 H LYS 17 HN LYS 17 27.808 8.438 -9.284
149 HA LYS 17 HA LYS 17 26.861 7.461 -11.111
150 HB2 LYS 17 HB2 LYS 17 24.478 6.878 -9.300
151 HB3 LYS 17 HB1 LYS 17 24.812 6.096 -10.841
152 HG2 LYS 17 HG2 LYS 17 26.641 4.861 -9.955
153 HG3 LYS 17 HG1 LYS 17 26.766 5.903 -8.533
154 HD2 LYS 17 HD2 LYS 17 24.452 4.000 -9.114
155 HD3 LYS 17 HD1 LYS 17 25.777 3.686 -7.989
156 HE2 LYS 17 HE2 LYS 17 25.075 5.573 -6.592
157 HE3 LYS 17 HE1 LYS 17 23.808 5.988 -7.749
158 HZ1 LYS 17 HZ1 LYS 17 22.716 3.914 -7.284
159 HZ2 LYS 17 HZ2 LYS 17 22.969 4.764 -5.845
160 HZ3 LYS 17 HZ3 LYS 17 23.953 3.446 -6.231
161 H GLY 18 HN GLY 18 26.415 10.316 -10.459
162 HA2 GLY 18 HA2 GLY 18 25.423 12.125 -11.484
163 HA3 GLY 18 HA1 GLY 18 24.470 11.023 -12.468
164 H LYS 19 HN LYS 19 24.130 10.244 -9.214
165 HA LYS 19 HA LYS 19 21.523 11.653 -9.019
166 HB2 LYS 19 HB2 LYS 19 22.328 8.851 -8.091
167 HB3 LYS 19 HB1 LYS 19 20.821 9.637 -7.620
168 HG2 LYS 19 HG2 LYS 19 21.617 9.037 -10.487
169 HG3 LYS 19 HG1 LYS 19 20.571 8.009 -9.498
170 HD2 LYS 19 HD2 LYS 19 18.956 9.889 -9.285
171 HD3 LYS 19 HD1 LYS 19 19.999 10.895 -10.297
172 HE2 LYS 19 HE2 LYS 19 18.699 8.297 -11.198
173 HE3 LYS 19 HE1 LYS 19 18.064 9.908 -11.527
174 HZ1 LYS 19 HZ1 LYS 19 19.299 9.074 -13.413
175 HZ2 LYS 19 HZ2 LYS 19 20.675 8.846 -12.462
176 HZ3 LYS 19 HZ3 LYS 19 20.105 10.407 -12.751
177 H VAL 20 HN VAL 20 21.224 12.891 -7.236
178 HA VAL 20 HA VAL 20 23.293 13.116 -5.214
179 HB VAL 20 HB VAL 20 20.564 14.483 -5.296
180 HG11 VAL 20 HG11 VAL 20 21.587 14.557 -3.054
181 HG12 VAL 20 HG12 VAL 20 21.554 16.166 -3.781
182 HG13 VAL 20 HG13 VAL 20 23.063 15.251 -3.736
183 HG21 VAL 20 HG21 VAL 20 21.714 16.434 -6.295
184 HG22 VAL 20 HG22 VAL 20 21.808 15.015 -7.342
185 HG23 VAL 20 HG23 VAL 20 23.210 15.503 -6.389
186 H GLU 21 HN GLU 21 23.385 11.654 -3.599
187 HA GLU 21 HA GLU 21 20.976 10.093 -2.897
188 HB2 GLU 21 HB2 GLU 21 23.899 9.399 -2.373
189 HB3 GLU 21 HB1 GLU 21 22.505 8.370 -2.052
190 HG2 GLU 21 HG2 GLU 21 22.051 8.392 -4.544
191 HG3 GLU 21 HG1 GLU 21 23.605 9.200 -4.752
192 H TYR 22 HN TYR 22 20.435 9.723 -0.776
193 HA TYR 22 HA TYR 22 21.718 11.345 1.337
194 HB2 TYR 22 HB2 TYR 22 18.706 10.896 1.046
195 HB3 TYR 22 HB1 TYR 22 19.510 11.894 2.255
196 HD1 TYR 22 HD1 TYR 22 21.356 13.563 0.778
197 HD2 TYR 22 HD2 TYR 22 17.442 12.297 -0.352
198 HE1 TYR 22 HE1 TYR 22 21.136 15.503 -0.694
199 HE2 TYR 22 HE2 TYR 22 17.238 14.258 -1.810
200 HH TYR 22 HH TYR 22 18.185 16.518 -1.985
201 H LEU 23 HN LEU 23 22.457 9.973 2.866
202 HA LEU 23 HA LEU 23 21.329 7.374 3.425
203 HB2 LEU 23 HB2 LEU 23 23.734 7.922 3.839
204 HB3 LEU 23 HB1 LEU 23 23.250 9.095 5.051
205 HG LEU 23 HG LEU 23 22.376 7.297 6.489
206 HD11 LEU 23 HD11 LEU 23 21.628 5.719 4.795
207 HD12 LEU 23 HD12 LEU 23 22.693 4.936 5.955
208 HD13 LEU 23 HD13 LEU 23 23.299 5.362 4.351
209 HD21 LEU 23 HD21 LEU 23 24.511 6.233 7.097
210 HD22 LEU 23 HD22 LEU 23 24.725 7.949 6.756
211 HD23 LEU 23 HD23 LEU 23 25.218 6.746 5.560
212 H VAL 24 HN VAL 24 19.155 7.806 3.790
213 HA VAL 24 HA VAL 24 18.274 9.824 5.637
214 HB VAL 24 HB VAL 24 16.683 7.658 4.155
215 HG11 VAL 24 HG11 VAL 24 15.655 10.080 5.732
216 HG12 VAL 24 HG12 VAL 24 15.450 8.386 6.189
217 HG13 VAL 24 HG13 VAL 24 14.665 9.009 4.736
218 HG21 VAL 24 HG21 VAL 24 16.030 9.518 2.669
219 HG22 VAL 24 HG22 VAL 24 17.778 9.267 2.658
220 HG23 VAL 24 HG23 VAL 24 17.086 10.619 3.558
221 H LYS 25 HN LYS 25 18.495 9.566 7.715
222 HA LYS 25 HA LYS 25 18.515 6.990 9.070
223 HB2 LYS 25 HB2 LYS 25 20.009 9.088 9.609
224 HB3 LYS 25 HB1 LYS 25 18.588 9.736 10.406
225 HG2 LYS 25 HG2 LYS 25 20.059 7.180 11.197
226 HG3 LYS 25 HG1 LYS 25 20.205 8.748 11.994
227 HD2 LYS 25 HD2 LYS 25 17.693 8.573 12.427
228 HD3 LYS 25 HD1 LYS 25 17.797 6.904 11.919
229 HE2 LYS 25 HE2 LYS 25 19.326 8.119 14.245
230 HE3 LYS 25 HE1 LYS 25 17.822 7.204 14.385
231 HZ1 LYS 25 HZ1 LYS 25 20.394 6.190 13.334
232 HZ2 LYS 25 HZ2 LYS 25 18.951 5.304 13.410
233 HZ3 LYS 25 HZ3 LYS 25 19.704 5.819 14.833
234 H TRP 26 HN TRP 26 16.795 6.158 10.133
235 HA TRP 26 HA TRP 26 14.214 7.604 10.076
236 HB2 TRP 26 HB2 TRP 26 14.661 4.597 10.371
237 HB3 TRP 26 HB1 TRP 26 13.160 5.426 9.955
238 HD1 TRP 26 HD1 TRP 26 16.445 4.216 8.423
239 HE1 TRP 26 HE1 TRP 26 16.321 4.416 5.863
240 HE3 TRP 26 HE3 TRP 26 12.023 6.762 7.998
241 HZ2 TRP 26 HZ2 TRP 26 14.609 5.497 3.919
242 HZ3 TRP 26 HZ3 TRP 26 11.209 7.337 5.745
243 HH2 TRP 26 HH2 TRP 26 12.476 6.717 3.744
244 H LYS 27 HN LYS 27 13.023 7.783 12.015
245 HA LYS 27 HA LYS 27 14.624 8.440 14.197
246 HB2 LYS 27 HB2 LYS 27 12.604 9.647 13.782
247 HB3 LYS 27 HB1 LYS 27 11.620 8.196 13.909
248 HG2 LYS 27 HG2 LYS 27 11.802 8.114 16.268
249 HG3 LYS 27 HG1 LYS 27 13.184 9.212 16.293
250 HD2 LYS 27 HD2 LYS 27 10.388 10.059 15.428
251 HD3 LYS 27 HD1 LYS 27 10.986 10.209 17.086
252 HE2 LYS 27 HE2 LYS 27 12.275 11.506 14.651
253 HE3 LYS 27 HE1 LYS 27 11.206 12.324 15.792
254 HZ1 LYS 27 HZ1 LYS 27 13.768 11.033 16.560
255 HZ2 LYS 27 HZ2 LYS 27 12.781 12.002 17.534
256 HZ3 LYS 27 HZ3 LYS 27 13.603 12.682 16.223
257 H GLY 28 HN GLY 28 12.139 5.848 14.167
258 HA2 GLY 28 HA2 GLY 28 13.012 4.854 16.763
259 HA3 GLY 28 HA1 GLY 28 11.673 4.259 15.798
260 H TRP 29 HN TRP 29 14.687 4.557 14.159
261 HA TRP 29 HA TRP 29 15.183 1.642 14.317
262 HB2 TRP 29 HB2 TRP 29 15.313 3.465 11.865
263 HB3 TRP 29 HB1 TRP 29 15.857 1.787 11.886
264 HD1 TRP 29 HD1 TRP 29 12.579 3.850 12.202
265 HE1 TRP 29 HE1 TRP 29 10.602 2.332 11.571
266 HE3 TRP 29 HE3 TRP 29 15.103 -0.562 11.579
267 HZ2 TRP 29 HZ2 TRP 29 10.164 -0.368 10.888
268 HZ3 TRP 29 HZ3 TRP 29 13.831 -2.565 10.916
269 HH2 TRP 29 HH2 TRP 29 11.409 -2.468 10.577
270 HA PRO 30 HA PRO 30 19.209 2.784 15.849
271 HB2 PRO 30 HB2 PRO 30 20.629 0.530 14.952
272 HB3 PRO 30 HB1 PRO 30 19.657 0.605 16.425
273 HG2 PRO 30 HG2 PRO 30 18.908 -0.445 13.711
274 HG3 PRO 30 HG1 PRO 30 18.576 -1.143 15.309
275 HD2 PRO 30 HD2 PRO 30 16.668 0.170 13.979
276 HD3 PRO 30 HD1 PRO 30 16.828 0.373 15.742
277 HA PRO 31 HA PRO 31 21.555 5.160 12.932
278 HB2 PRO 31 HB2 PRO 31 23.999 3.713 14.005
279 HB3 PRO 31 HB1 PRO 31 23.753 5.445 13.721
280 HG2 PRO 31 HG2 PRO 31 23.536 4.501 16.184
281 HG3 PRO 31 HG1 PRO 31 22.349 5.686 15.596
282 HD2 PRO 31 HD2 PRO 31 22.041 2.713 15.967
283 HD3 PRO 31 HD1 PRO 31 20.858 4.015 16.240
284 H LYS 32 HN LYS 32 22.585 1.713 12.960
285 HA LYS 32 HA LYS 32 23.767 1.910 10.307
286 HB2 LYS 32 HB2 LYS 32 24.338 -0.463 10.552
287 HB3 LYS 32 HB1 LYS 32 24.817 0.454 11.975
288 HG2 LYS 32 HG2 LYS 32 22.853 -0.403 13.196
289 HG3 LYS 32 HG1 LYS 32 22.360 -1.317 11.764
290 HD2 LYS 32 HD2 LYS 32 24.475 -2.619 11.887
291 HD3 LYS 32 HD1 LYS 32 24.942 -1.719 13.335
292 HE2 LYS 32 HE2 LYS 32 23.002 -2.637 14.538
293 HE3 LYS 32 HE1 LYS 32 22.489 -3.499 13.084
294 HZ1 LYS 32 HZ1 LYS 32 23.664 -4.960 14.578
295 HZ2 LYS 32 HZ2 LYS 32 25.013 -3.943 14.583
296 HZ3 LYS 32 HZ3 LYS 32 24.571 -4.751 13.164
297 H TYR 33 HN TYR 33 20.601 1.442 11.397
298 HA TYR 33 HA TYR 33 19.685 -0.038 9.021
299 HB2 TYR 33 HB2 TYR 33 18.297 0.900 11.558
300 HB3 TYR 33 HB1 TYR 33 17.365 0.353 10.170
301 HD1 TYR 33 HD1 TYR 33 20.558 -1.049 11.582
302 HD2 TYR 33 HD2 TYR 33 16.397 -1.701 10.864
303 HE1 TYR 33 HE1 TYR 33 20.788 -3.361 12.371
304 HE2 TYR 33 HE2 TYR 33 16.630 -4.019 11.650
305 HH TYR 33 HH TYR 33 18.379 -5.722 11.900
306 H SER 34 HN SER 34 20.635 3.017 9.415
307 HA SER 34 HA SER 34 18.658 4.507 7.984
308 HB2 SER 34 HB2 SER 34 21.675 4.968 8.114
309 HB3 SER 34 HB1 SER 34 20.446 6.164 7.682
310 HG SER 34 HG SER 34 21.382 5.606 10.071
311 H THR 35 HN THR 35 18.472 4.790 5.714
312 HA THR 35 HA THR 35 19.965 2.819 4.051
313 HB THR 35 HB THR 35 17.823 2.572 2.733
314 HG1 THR 35 HG1 THR 35 16.543 4.246 3.174
315 HG21 THR 35 HG21 THR 35 18.394 0.884 4.458
316 HG22 THR 35 HG22 THR 35 16.646 1.121 4.350
317 HG23 THR 35 HG23 THR 35 17.558 1.850 5.675
318 H TRP 36 HN TRP 36 20.398 3.384 1.889
319 HA TRP 36 HA TRP 36 20.690 6.264 1.376
320 HB2 TRP 36 HB2 TRP 36 21.932 3.824 0.013
321 HB3 TRP 36 HB1 TRP 36 22.182 5.477 -0.530
322 HD1 TRP 36 HD1 TRP 36 23.352 3.005 2.131
323 HE1 TRP 36 HE1 TRP 36 25.395 4.009 3.327
324 HE3 TRP 36 HE3 TRP 36 23.171 7.764 0.236
325 HZ2 TRP 36 HZ2 TRP 36 26.749 6.475 3.465
326 HZ3 TRP 36 HZ3 TRP 36 24.878 9.386 0.960
327 HH2 TRP 36 HH2 TRP 36 26.631 8.752 2.545
328 H GLU 37 HN GLU 37 19.128 7.186 0.164
329 HA GLU 37 HA GLU 37 18.364 5.903 -2.385
330 HB2 GLU 37 HB2 GLU 37 16.461 7.344 -0.517
331 HB3 GLU 37 HB1 GLU 37 16.066 6.914 -2.169
332 HG2 GLU 37 HG2 GLU 37 14.957 5.352 -0.846
333 HG3 GLU 37 HG1 GLU 37 16.365 4.486 -1.447
334 HA PRO 38 HA PRO 38 19.480 9.971 -4.072
335 HB2 PRO 38 HB2 PRO 38 17.486 9.547 -6.242
336 HB3 PRO 38 HB1 PRO 38 19.242 9.693 -6.350
337 HG2 PRO 38 HG2 PRO 38 17.950 7.350 -6.737
338 HG3 PRO 38 HG1 PRO 38 19.587 7.429 -6.057
339 HD2 PRO 38 HD2 PRO 38 16.963 6.985 -4.659
340 HD3 PRO 38 HD1 PRO 38 18.547 6.240 -4.352
341 H GLU 39 HN GLU 39 18.288 11.974 -5.069
342 HA GLU 39 HA GLU 39 16.585 13.075 -3.096
343 HB2 GLU 39 HB2 GLU 39 16.585 15.090 -4.439
344 HB3 GLU 39 HB1 GLU 39 18.183 14.360 -4.575
345 HG2 GLU 39 HG2 GLU 39 17.355 13.313 -6.766
346 HG3 GLU 39 HG1 GLU 39 15.961 14.376 -6.637
347 H GLU 40 HN GLU 40 15.832 11.136 -5.745
348 HA GLU 40 HA GLU 40 13.345 12.109 -6.642
349 HB2 GLU 40 HB2 GLU 40 14.530 9.305 -6.769
350 HB3 GLU 40 HB1 GLU 40 13.176 9.879 -7.748
351 HG2 GLU 40 HG2 GLU 40 14.598 11.472 -8.895
352 HG3 GLU 40 HG1 GLU 40 15.951 11.116 -7.820
353 H HIS 41 HN HIS 41 14.175 10.131 -3.853
354 HA HIS 41 HA HIS 41 11.399 9.248 -3.430
355 HB2 HIS 41 HB2 HIS 41 12.200 7.843 -1.745
356 HB3 HIS 41 HB1 HIS 41 13.516 7.858 -2.903
357 HD1 HIS 41 HD1 HIS 41 14.969 10.451 -1.931
358 HD2 HIS 41 HD2 HIS 41 13.559 7.443 0.540
359 HE1 HIS 41 HE1 HIS 41 16.401 10.545 0.131
360 HE2 HIS 41 HE2 HIS 41 15.720 8.493 1.420
361 H ILE 42 HN ILE 42 12.992 12.106 -2.758
362 HA ILE 42 HA ILE 42 12.216 12.619 -0.043
363 HB ILE 42 HB ILE 42 13.172 14.517 -2.239
364 HG12 ILE 42 HG12 ILE 42 14.844 12.816 -1.536
365 HG13 ILE 42 HG11 ILE 42 15.344 14.443 -1.090
366 HG21 ILE 42 HG21 ILE 42 13.619 16.177 -0.443
367 HG22 ILE 42 HG22 ILE 42 12.808 15.127 0.722
368 HG23 ILE 42 HG23 ILE 42 11.896 15.829 -0.616
369 HD11 ILE 42 HD11 ILE 42 14.681 14.016 1.226
370 HD12 ILE 42 HD12 ILE 42 15.851 12.831 0.649
371 HD13 ILE 42 HD13 ILE 42 14.151 12.393 0.777
372 H LEU 43 HN LEU 43 10.186 12.906 0.581
373 HA LEU 43 HA LEU 43 8.109 13.748 -1.303
374 HB2 LEU 43 HB2 LEU 43 7.902 12.768 1.570
375 HB3 LEU 43 HB1 LEU 43 6.545 13.047 0.482
376 HG LEU 43 HG LEU 43 8.716 10.936 0.133
377 HD11 LEU 43 HD11 LEU 43 5.787 10.644 0.854
378 HD12 LEU 43 HD12 LEU 43 7.176 10.344 1.902
379 HD13 LEU 43 HD13 LEU 43 6.897 9.317 0.501
380 HD21 LEU 43 HD21 LEU 43 6.318 11.536 -1.619
381 HD22 LEU 43 HD22 LEU 43 7.403 10.155 -1.789
382 HD23 LEU 43 HD23 LEU 43 8.016 11.783 -2.029
383 H ASP 44 HN ASP 44 10.131 15.305 0.925
384 HA ASP 44 HA ASP 44 8.413 17.658 1.020
385 HB2 ASP 44 HB2 ASP 44 7.890 16.100 3.043
386 HB3 ASP 44 HB1 ASP 44 9.476 16.552 3.653
387 HA PRO 45 HA PRO 45 12.509 19.479 0.389
388 HB2 PRO 45 HB2 PRO 45 11.864 22.120 0.950
389 HB3 PRO 45 HB1 PRO 45 11.502 21.321 -0.586
390 HG2 PRO 45 HG2 PRO 45 9.705 21.716 1.811
391 HG3 PRO 45 HG1 PRO 45 9.346 21.994 0.092
392 HD2 PRO 45 HD2 PRO 45 8.509 19.766 1.306
393 HD3 PRO 45 HD1 PRO 45 9.126 19.691 -0.364
394 H ARG 46 HN ARG 46 10.691 20.047 3.374
395 HA ARG 46 HA ARG 46 12.776 21.274 4.874
396 HB2 ARG 46 HB2 ARG 46 10.299 19.802 5.838
397 HB3 ARG 46 HB1 ARG 46 11.362 20.744 6.881
398 HG2 ARG 46 HG2 ARG 46 9.720 21.828 4.564
399 HG3 ARG 46 HG1 ARG 46 9.331 21.989 6.281
400 HD2 ARG 46 HD2 ARG 46 11.443 23.270 6.609
401 HD3 ARG 46 HD1 ARG 46 11.761 23.155 4.871
402 HE ARG 46 HE ARG 46 9.196 24.308 5.521
403 HH11 ARG 46 HH11 ARG 46 12.587 25.062 4.951
404 HH12 ARG 46 HH12 ARG 46 12.282 26.737 4.649
405 HH21 ARG 46 HH21 ARG 46 8.821 26.492 5.112
406 HH22 ARG 46 HH22 ARG 46 10.140 27.551 4.740
407 H LEU 47 HN LEU 47 12.293 17.999 3.963
408 HA LEU 47 HA LEU 47 13.607 16.642 6.076
409 HB2 LEU 47 HB2 LEU 47 12.204 15.548 4.345
410 HB3 LEU 47 HB1 LEU 47 13.406 15.912 3.122
411 HG LEU 47 HG LEU 47 14.960 14.311 4.037
412 HD11 LEU 47 HD11 LEU 47 14.493 12.978 6.067
413 HD12 LEU 47 HD12 LEU 47 13.081 13.990 6.388
414 HD13 LEU 47 HD13 LEU 47 14.698 14.697 6.411
415 HD21 LEU 47 HD21 LEU 47 13.153 13.386 2.623
416 HD22 LEU 47 HD22 LEU 47 12.190 13.063 4.065
417 HD23 LEU 47 HD23 LEU 47 13.716 12.211 3.814
418 H VAL 48 HN VAL 48 14.833 17.992 3.006
419 HA VAL 48 HA VAL 48 17.613 17.337 3.638
420 HB VAL 48 HB VAL 48 16.553 18.871 1.221
421 HG11 VAL 48 HG11 VAL 48 19.170 17.364 1.625
422 HG12 VAL 48 HG12 VAL 48 18.980 19.117 1.538
423 HG13 VAL 48 HG13 VAL 48 18.653 18.125 0.116
424 HG21 VAL 48 HG21 VAL 48 16.965 15.863 1.492
425 HG22 VAL 48 HG22 VAL 48 16.566 16.707 -0.007
426 HG23 VAL 48 HG23 VAL 48 15.414 16.692 1.329
427 H MET 49 HN MET 49 15.469 20.119 3.543
428 HA MET 49 HA MET 49 17.282 22.262 3.811
429 HB2 MET 49 HB2 MET 49 14.357 21.947 4.552
430 HB3 MET 49 HB1 MET 49 15.215 23.432 4.949
431 HG2 MET 49 HG2 MET 49 15.682 23.778 2.563
432 HG3 MET 49 HG1 MET 49 14.796 22.297 2.182
433 HE1 MET 49 HE1 MET 49 12.459 25.341 1.044
434 HE2 MET 49 HE2 MET 49 13.361 23.939 0.467
435 HE3 MET 49 HE3 MET 49 14.222 25.358 1.069
436 H ALA 50 HN ALA 50 15.528 20.389 6.297
437 HA ALA 50 HA ALA 50 16.474 21.806 8.568
438 HB1 ALA 50 HB1 ALA 50 14.461 20.368 8.647
439 HB2 ALA 50 HB2 ALA 50 15.618 19.924 9.904
440 HB3 ALA 50 HB3 ALA 50 15.469 18.936 8.445
441 H TYR 51 HN TYR 51 17.863 19.188 6.684
442 HA TYR 51 HA TYR 51 19.844 18.306 8.519
443 HB2 TYR 51 HB2 TYR 51 19.282 16.946 6.587
444 HB3 TYR 51 HB1 TYR 51 19.724 18.241 5.480
445 HD1 TYR 51 HD2 TYR 51 21.553 16.753 8.420
446 HD2 TYR 51 HD1 TYR 51 21.574 17.469 4.208
447 HE1 TYR 51 HE2 TYR 51 23.800 15.790 8.272
448 HE2 TYR 51 HE1 TYR 51 23.831 16.508 4.062
449 HH TYR 51 HH TYR 51 25.229 14.707 6.583
450 H GLU 52 HN GLU 52 20.005 20.614 5.794
451 HA GLU 52 HA GLU 52 22.812 21.197 6.274
452 HB2 GLU 52 HB2 GLU 52 20.846 22.320 4.228
453 HB3 GLU 52 HB1 GLU 52 22.591 22.603 4.228
454 HG2 GLU 52 HG2 GLU 52 23.018 20.228 3.898
455 HG3 GLU 52 HG1 GLU 52 21.294 19.870 4.003
456 H GLU 53 HN GLU 53 19.762 22.680 6.980
457 HA GLU 53 HA GLU 53 21.042 25.098 8.149
458 HB2 GLU 53 HB2 GLU 53 18.226 24.726 7.005
459 HB3 GLU 53 HB1 GLU 53 18.820 26.204 7.765
460 HG2 GLU 53 HG2 GLU 53 20.419 26.565 5.990
461 HG3 GLU 53 HG1 GLU 53 20.086 24.980 5.295
462 H LYS 54 HN LYS 54 20.931 22.640 9.441
463 HA LYS 54 HA LYS 54 18.866 22.279 11.287
464 HB2 LYS 54 HB2 LYS 54 20.324 20.756 12.459
465 HB3 LYS 54 HB1 LYS 54 20.602 20.563 10.735
466 HG2 LYS 54 HG2 LYS 54 22.409 22.067 12.658
467 HG3 LYS 54 HG1 LYS 54 22.676 20.428 12.067
468 HD2 LYS 54 HD2 LYS 54 22.911 21.298 9.764
469 HD3 LYS 54 HD1 LYS 54 22.621 22.939 10.349
470 HE2 LYS 54 HE2 LYS 54 24.684 22.759 11.750
471 HE3 LYS 54 HE1 LYS 54 24.986 21.160 11.055
472 HZ1 LYS 54 HZ1 LYS 54 25.128 22.159 8.880
473 HZ2 LYS 54 HZ2 LYS 54 26.234 22.896 9.925
474 HZ3 LYS 54 HZ3 LYS 54 24.798 23.692 9.517
475 H GLU 55 HN GLU 55 19.141 22.375 13.671
476 HA GLU 55 HA GLU 55 19.268 25.069 14.554
477 HB2 GLU 55 HB2 GLU 55 18.615 24.218 16.725
478 HB3 GLU 55 HB1 GLU 55 17.748 23.299 15.503
479 HG2 GLU 55 HG2 GLU 55 20.167 22.359 17.087
480 HG3 GLU 55 HG1 GLU 55 18.498 21.866 17.354
481 H GLU 56 HN GLU 56 21.667 22.593 14.396
482 HA GLU 56 HA GLU 56 23.541 23.525 16.309
483 HB2 GLU 56 HB2 GLU 56 23.628 21.260 15.327
484 HB3 GLU 56 HB1 GLU 56 23.940 21.940 13.741
485 HG2 GLU 56 HG2 GLU 56 25.976 21.012 14.670
486 HG3 GLU 56 HG1 GLU 56 26.127 22.763 14.483
487 H1 ALA 1 HT1 ALA 1 10.061 19.983 15.995
488 H2 ALA 1 HT2 ALA 1 11.639 19.463 16.299
489 H3 ALA 1 HT3 ALA 1 10.330 18.585 16.900
490 HA ALA 1 HA ALA 1 10.995 18.954 14.047
491 HB1 ALA 1 HB1 ALA 1 12.581 17.463 15.191
492 HB2 ALA 1 HB2 ALA 1 11.569 16.554 14.068
493 HB3 ALA 1 HB3 ALA 1 11.241 16.488 15.803
494 H ARG 2 HN ARG 2 9.426 18.339 12.630
495 HA ARG 2 HA ARG 2 6.755 17.663 13.661
496 HB2 ARG 2 HB2 ARG 2 7.650 18.479 10.856
497 HB3 ARG 2 HB1 ARG 2 5.978 18.299 11.403
498 HG2 ARG 2 HG2 ARG 2 6.274 20.140 13.000
499 HG3 ARG 2 HG1 ARG 2 7.970 20.296 12.539
500 HD2 ARG 2 HD2 ARG 2 7.244 20.920 10.234
501 HD3 ARG 2 HD1 ARG 2 5.560 20.830 10.767
502 HE ARG 2 HE ARG 2 7.505 22.696 12.001
503 HH11 ARG 2 HH11 ARG 2 4.381 22.200 10.461
504 HH12 ARG 2 HH12 ARG 2 3.855 23.822 10.769
505 HH21 ARG 2 HH21 ARG 2 6.786 24.782 12.414
506 HH22 ARG 2 HH22 ARG 2 5.217 25.283 11.873
507 H THR 3 HN THR 3 9.294 16.420 11.596
508 HA THR 3 HA THR 3 9.937 14.408 10.878
509 HB THR 3 HB THR 3 9.422 12.379 12.164
510 HG1 THR 3 HG1 THR 3 7.099 13.462 12.619
511 HG21 THR 3 HG21 THR 3 9.794 14.820 13.947
512 HG22 THR 3 HG22 THR 3 11.072 13.914 13.130
513 HG23 THR 3 HG23 THR 3 10.133 13.151 14.413
514 H LYS 4 HN LYS 4 7.194 15.565 9.941
515 HA LYS 4 HA LYS 4 5.851 13.288 8.737
516 HB2 LYS 4 HB2 LYS 4 4.633 15.324 9.555
517 HB3 LYS 4 HB1 LYS 4 5.452 16.288 8.338
518 HG2 LYS 4 HG2 LYS 4 3.158 15.799 7.677
519 HG3 LYS 4 HG1 LYS 4 4.301 15.061 6.555
520 HD2 LYS 4 HD2 LYS 4 2.432 13.546 7.029
521 HD3 LYS 4 HD1 LYS 4 3.946 12.862 7.622
522 HE2 LYS 4 HE2 LYS 4 2.058 12.533 9.197
523 HE3 LYS 4 HE1 LYS 4 3.355 13.492 9.914
524 HZ1 LYS 4 HZ1 LYS 4 2.090 15.487 9.495
525 HZ2 LYS 4 HZ2 LYS 4 1.143 14.398 10.382
526 HZ3 LYS 4 HZ3 LYS 4 0.872 14.604 8.721
527 H GLN 5 HN GLN 5 8.608 14.965 8.104
528 HA GLN 5 HA GLN 5 8.691 15.232 5.279
529 HB2 GLN 5 HB2 GLN 5 10.803 15.187 7.471
530 HB3 GLN 5 HB1 GLN 5 11.214 15.418 5.781
531 HG2 GLN 5 HG2 GLN 5 11.162 17.557 6.871
532 HG3 GLN 5 HG1 GLN 5 9.829 17.468 5.728
533 HE21 GLN 5 HE21 GLN 5 8.510 18.979 6.665
534 HE22 GLN 5 HE22 GLN 5 7.831 18.838 8.251
535 H THR 6 HN THR 6 7.804 13.099 4.767
536 HA THR 6 HA THR 6 9.270 10.717 5.490
537 HB THR 6 HB THR 6 7.357 9.600 4.130
538 HG1 THR 6 HG1 THR 6 6.276 12.232 4.442
539 HG21 THR 6 HG21 THR 6 5.778 9.809 6.018
540 HG22 THR 6 HG22 THR 6 6.684 11.194 6.634
541 HG23 THR 6 HG23 THR 6 7.431 9.593 6.604
542 H ALA 7 HN ALA 7 9.349 8.971 3.657
543 HA ALA 7 HA ALA 7 10.540 9.890 1.200
544 HB1 ALA 7 HB1 ALA 7 12.247 10.564 2.862
545 HB2 ALA 7 HB2 ALA 7 12.850 9.311 1.790
546 HB3 ALA 7 HB3 ALA 7 12.360 8.898 3.431
547 H ARG 8 HN ARG 8 10.487 8.212 -0.274
548 HA ARG 8 HA ARG 8 9.575 5.567 0.443
549 HB2 ARG 8 HB2 ARG 8 10.549 6.766 -2.178
550 HB3 ARG 8 HB1 ARG 8 10.279 5.039 -2.047
551 HG2 ARG 8 HG2 ARG 8 8.391 6.128 -3.106
552 HG3 ARG 8 HG1 ARG 8 7.913 5.403 -1.572
553 HD2 ARG 8 HD2 ARG 8 7.759 7.526 -0.506
554 HD3 ARG 8 HD1 ARG 8 8.616 8.336 -1.812
555 HE ARG 8 HE ARG 8 6.663 8.550 -2.942
556 HH11 ARG 8 HH11 ARG 8 6.088 6.088 -0.469
557 HH12 ARG 8 HH12 ARG 8 4.380 6.056 -0.751
558 HH21 ARG 8 HH21 ARG 8 4.447 8.447 -3.279
559 HH22 ARG 8 HH22 ARG 8 3.466 7.377 -2.341
560 H M3L 9 HN M3L 9 10.891 3.978 1.298
561 HA M3L 9 HA M3L 9 13.734 4.001 1.171
562 HB2 M3L 9 HB2 M3L 9 11.836 1.686 1.732
563 HB3 M3L 9 HB1 M3L 9 13.584 1.636 1.982
564 HG2 M3L 9 HG2 M3L 9 13.279 3.602 3.581
565 HG3 M3L 9 HG1 M3L 9 11.537 3.313 3.465
566 HD2 M3L 9 HD2 M3L 9 11.835 1.035 4.352
567 HD3 M3L 9 HD1 M3L 9 13.591 1.261 4.396
568 HE2 M3L 9 HE2 M3L 9 13.141 3.250 5.958
569 HE3 M3L 9 HE1 M3L 9 11.480 2.670 6.063
570 HM11 M3L 9 HH33 M3L 9 14.533 0.487 5.937
571 HM12 M3L 9 HH31 M3L 9 14.691 0.345 7.692
572 HM13 M3L 9 HH32 M3L 9 15.030 1.887 6.894
573 HM21 M3L 9 HH11 M3L 9 12.325 -0.503 7.844
574 HM22 M3L 9 HH12 M3L 9 12.131 -0.359 6.095
575 HM23 M3L 9 HH13 M3L 9 10.998 0.451 7.178
576 HM31 M3L 9 HH21 M3L 9 13.378 3.036 8.375
577 HM32 M3L 9 HH22 M3L 9 13.053 1.506 9.185
578 HM33 M3L 9 HH23 M3L 9 11.721 2.437 8.501
579 H SER 10 HN SER 10 15.016 2.093 0.235
580 HA SER 10 HA SER 10 14.750 1.786 -2.540
581 HB2 SER 10 HB2 SER 10 16.362 -0.185 -2.170
582 HB3 SER 10 HB1 SER 10 16.885 1.366 -1.520
583 HG SER 10 HG SER 10 16.842 0.567 0.411
584 H THR 11 HN THR 11 12.798 1.123 -3.297
585 HA THR 11 HA THR 11 10.924 -0.472 -1.934
586 HB THR 11 HB THR 11 9.568 -0.346 -4.015
587 HG1 THR 11 HG1 THR 11 10.555 0.704 -5.862
588 HG21 THR 11 HG21 THR 11 9.483 2.113 -4.267
589 HG22 THR 11 HG22 THR 11 11.047 2.265 -3.469
590 HG23 THR 11 HG23 THR 11 9.654 1.674 -2.562
591 H GLY 12 HN GLY 12 13.221 -1.264 -4.463
592 HA2 GLY 12 HA2 GLY 12 12.758 -4.158 -3.974
593 HA3 GLY 12 HA1 GLY 12 13.242 -3.487 -5.530
594 H GLY 13 HN GLY 13 14.293 -3.066 -2.143
595 HA2 GLY 13 HA2 GLY 13 17.074 -2.817 -2.723
596 HA3 GLY 13 HA1 GLY 13 16.356 -3.107 -1.143
597 H LYS 14 HN LYS 14 18.736 -4.311 -2.614
598 HA LYS 14 HA LYS 14 18.118 -7.135 -2.059
599 HB2 LYS 14 HB2 LYS 14 19.489 -7.809 -4.096
600 HB3 LYS 14 HB1 LYS 14 17.897 -7.157 -4.428
601 HG2 LYS 14 HG2 LYS 14 20.217 -5.244 -4.518
602 HG3 LYS 14 HG1 LYS 14 20.084 -6.423 -5.825
603 HD2 LYS 14 HD2 LYS 14 17.868 -4.501 -5.003
604 HD3 LYS 14 HD1 LYS 14 19.007 -4.205 -6.319
605 HE2 LYS 14 HE2 LYS 14 18.169 -6.179 -7.519
606 HE3 LYS 14 HE1 LYS 14 17.076 -6.556 -6.185
607 HZ1 LYS 14 HZ1 LYS 14 15.978 -5.433 -8.020
608 HZ2 LYS 14 HZ2 LYS 14 16.970 -4.084 -7.816
609 HZ3 LYS 14 HZ3 LYS 14 15.887 -4.534 -6.597
610 H ALA 15 HN ALA 15 19.443 -7.684 -0.480
611 HA ALA 15 HA ALA 15 22.342 -7.363 -0.783
612 HB1 ALA 15 HB1 ALA 15 22.620 -6.622 1.562
613 HB2 ALA 15 HB2 ALA 15 20.867 -6.560 1.762
614 HB3 ALA 15 HB3 ALA 15 21.667 -5.452 0.646
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 4.280 -1.328 -1.640
2 H2 GLY 1 HT2 GLY 1 5.370 -1.808 -2.836
3 H3 GLY 1 HT3 GLY 1 3.718 -2.077 -3.048
4 HA2 GLY 1 HA1 GLY 1 4.463 -0.215 -4.380
5 HA3 GLY 1 HA2 GLY 1 3.287 0.271 -3.161
6 H GLU 2 HN GLU 2 3.898 2.321 -2.652
7 HA GLU 2 HA GLU 2 6.664 3.154 -2.425
8 HB2 GLU 2 HB2 GLU 2 4.100 4.657 -1.723
9 HB3 GLU 2 HB1 GLU 2 5.699 5.373 -1.923
10 HG2 GLU 2 HG2 GLU 2 5.692 4.817 -4.298
11 HG3 GLU 2 HG1 GLU 2 4.157 3.968 -4.130
12 H GLN 3 HN GLN 3 7.415 1.754 -0.760
13 HA GLN 3 HA GLN 3 6.105 1.592 1.803
14 HB2 GLN 3 HB2 GLN 3 7.320 -0.339 0.793
15 HB3 GLN 3 HB1 GLN 3 8.840 0.537 0.969
16 HG2 GLN 3 HG2 GLN 3 8.478 0.563 3.452
17 HG3 GLN 3 HG1 GLN 3 7.023 -0.404 3.216
18 HE21 GLN 3 HE21 GLN 3 10.515 -0.388 2.999
19 HE22 GLN 3 HE22 GLN 3 10.716 -2.100 2.986
20 H VAL 4 HN VAL 4 6.107 3.497 2.885
21 HA VAL 4 HA VAL 4 8.588 5.033 3.304
22 HB VAL 4 HB VAL 4 7.100 6.775 4.322
23 HG11 VAL 4 HG11 VAL 4 6.024 7.536 2.233
24 HG12 VAL 4 HG12 VAL 4 6.263 5.937 1.520
25 HG13 VAL 4 HG13 VAL 4 7.657 6.933 1.942
26 HG21 VAL 4 HG21 VAL 4 4.785 4.959 3.494
27 HG22 VAL 4 HG22 VAL 4 4.631 6.603 4.126
28 HG23 VAL 4 HG23 VAL 4 5.275 5.323 5.153
29 H PHE 5 HN PHE 5 9.320 5.587 5.372
30 HA PHE 5 HA PHE 5 8.034 4.459 7.775
31 HB2 PHE 5 HB2 PHE 5 11.048 4.303 7.224
32 HB3 PHE 5 HB1 PHE 5 10.298 3.936 8.764
33 HD1 PHE 5 HD1 PHE 5 10.447 2.836 5.196
34 HD2 PHE 5 HD2 PHE 5 9.562 1.731 9.225
35 HE1 PHE 5 HE1 PHE 5 10.235 0.489 4.516
36 HE2 PHE 5 HE2 PHE 5 9.345 -0.613 8.529
37 HZ PHE 5 HZ PHE 5 9.679 -1.238 6.177
38 H ALA 6 HN ALA 6 8.597 5.666 9.708
39 HA ALA 6 HA ALA 6 8.638 8.493 9.332
40 HB1 ALA 6 HB1 ALA 6 8.580 8.610 11.789
41 HB2 ALA 6 HB2 ALA 6 8.955 6.889 11.896
42 HB3 ALA 6 HB3 ALA 6 7.424 7.418 11.194
43 H VAL 7 HN VAL 7 10.367 9.842 9.172
44 HA VAL 7 HA VAL 7 13.059 8.885 9.970
45 HB VAL 7 HB VAL 7 14.082 10.064 8.193
46 HG11 VAL 7 HG11 VAL 7 12.968 8.058 7.359
47 HG12 VAL 7 HG12 VAL 7 12.975 9.309 6.116
48 HG13 VAL 7 HG13 VAL 7 11.497 8.975 7.025
49 HG21 VAL 7 HG21 VAL 7 11.485 11.540 7.661
50 HG22 VAL 7 HG22 VAL 7 12.962 11.694 6.708
51 HG23 VAL 7 HG23 VAL 7 12.939 12.217 8.390
52 H GLU 8 HN GLU 8 14.486 10.387 10.900
53 HA GLU 8 HA GLU 8 13.308 12.555 12.437
54 HB2 GLU 8 HB2 GLU 8 15.069 10.978 13.383
55 HB3 GLU 8 HB1 GLU 8 16.241 11.690 12.286
56 HG2 GLU 8 HG2 GLU 8 16.452 12.641 14.532
57 HG3 GLU 8 HG1 GLU 8 15.964 13.873 13.364
58 H SER 9 HN SER 9 16.236 12.344 10.437
59 HA SER 9 HA SER 9 15.539 14.466 8.636
60 HB2 SER 9 HB2 SER 9 17.729 14.900 10.719
61 HB3 SER 9 HB1 SER 9 17.573 15.883 9.258
62 HG SER 9 HG SER 9 15.227 16.018 10.238
63 H ILE 10 HN ILE 10 18.204 14.969 7.738
64 HA ILE 10 HA ILE 10 18.911 12.397 6.535
65 HB ILE 10 HB ILE 10 20.023 15.185 6.015
66 HG12 ILE 10 HG12 ILE 10 17.657 15.106 5.377
67 HG13 ILE 10 HG11 ILE 10 18.656 15.170 3.933
68 HG21 ILE 10 HG21 ILE 10 21.009 14.257 3.968
69 HG22 ILE 10 HG22 ILE 10 20.427 12.648 4.399
70 HG23 ILE 10 HG23 ILE 10 21.638 13.447 5.404
71 HD11 ILE 10 HD11 ILE 10 17.260 12.732 5.039
72 HD12 ILE 10 HD12 ILE 10 18.292 12.756 3.606
73 HD13 ILE 10 HD13 ILE 10 16.791 13.679 3.626
74 H ARG 11 HN ARG 11 20.463 11.171 7.369
75 HA ARG 11 HA ARG 11 22.155 11.997 9.547
76 HB2 ARG 11 HB2 ARG 11 20.995 9.649 9.067
77 HB3 ARG 11 HB1 ARG 11 22.450 9.316 8.140
78 HG2 ARG 11 HG2 ARG 11 22.532 10.169 11.061
79 HG3 ARG 11 HG1 ARG 11 22.338 8.483 10.584
80 HD2 ARG 11 HD2 ARG 11 24.508 8.487 9.500
81 HD3 ARG 11 HD1 ARG 11 24.692 10.223 9.778
82 HE ARG 11 HE ARG 11 24.425 9.430 12.263
83 HH11 ARG 11 HH11 ARG 11 26.360 7.841 9.789
84 HH12 ARG 11 HH12 ARG 11 27.526 7.254 10.929
85 HH21 ARG 11 HH21 ARG 11 25.939 8.642 13.718
86 HH22 ARG 11 HH22 ARG 11 27.280 7.697 13.152
87 H LYS 12 HN LYS 12 22.837 10.735 6.216
88 HA LYS 12 HA LYS 12 25.280 12.420 6.101
89 HB2 LYS 12 HB2 LYS 12 25.198 9.513 5.161
90 HB3 LYS 12 HB1 LYS 12 26.561 10.619 5.005
91 HG2 LYS 12 HG2 LYS 12 26.721 10.695 7.498
92 HG3 LYS 12 HG1 LYS 12 25.413 9.516 7.585
93 HD2 LYS 12 HD2 LYS 12 27.559 8.388 7.861
94 HD3 LYS 12 HD1 LYS 12 26.810 7.882 6.343
95 HE2 LYS 12 HE2 LYS 12 28.290 9.324 5.068
96 HE3 LYS 12 HE1 LYS 12 28.943 10.038 6.541
97 HZ1 LYS 12 HZ1 LYS 12 29.241 7.206 5.731
98 HZ2 LYS 12 HZ2 LYS 12 29.892 7.917 7.114
99 HZ3 LYS 12 HZ3 LYS 12 30.423 8.403 5.588
100 H LYS 13 HN LYS 13 26.162 12.334 3.697
101 HA LYS 13 HA LYS 13 24.082 12.291 1.667
102 HB2 LYS 13 HB2 LYS 13 23.621 14.448 2.821
103 HB3 LYS 13 HB1 LYS 13 25.295 14.945 2.586
104 HG2 LYS 13 HG2 LYS 13 24.838 14.754 0.057
105 HG3 LYS 13 HG1 LYS 13 23.127 14.605 0.485
106 HD2 LYS 13 HD2 LYS 13 23.226 16.825 1.599
107 HD3 LYS 13 HD1 LYS 13 24.938 16.959 1.176
108 HE2 LYS 13 HE2 LYS 13 24.257 16.784 -1.255
109 HE3 LYS 13 HE1 LYS 13 22.574 16.890 -0.725
110 HZ1 LYS 13 HZ1 LYS 13 23.446 19.013 -1.419
111 HZ2 LYS 13 HZ2 LYS 13 24.672 18.926 -0.264
112 HZ3 LYS 13 HZ3 LYS 13 23.063 19.033 0.221
113 H ARG 14 HN ARG 14 24.915 12.240 -0.369
114 HA ARG 14 HA ARG 14 27.504 13.210 -1.140
115 HB2 ARG 14 HB2 ARG 14 28.584 11.093 -1.683
116 HB3 ARG 14 HB1 ARG 14 28.091 11.018 0.009
117 HG2 ARG 14 HG2 ARG 14 25.977 9.780 -0.823
118 HG3 ARG 14 HG1 ARG 14 26.818 9.625 -2.368
119 HD2 ARG 14 HD2 ARG 14 27.753 8.545 0.313
120 HD3 ARG 14 HD1 ARG 14 27.071 7.598 -1.019
121 HE ARG 14 HE ARG 14 29.555 9.130 -1.447
122 HH11 ARG 14 HH11 ARG 14 27.969 6.010 -1.300
123 HH12 ARG 14 HH12 ARG 14 29.369 5.142 -1.830
124 HH21 ARG 14 HH21 ARG 14 31.388 7.987 -2.095
125 HH22 ARG 14 HH22 ARG 14 31.317 6.264 -2.274
126 H VAL 15 HN VAL 15 27.788 12.924 -3.549
127 HA VAL 15 HA VAL 15 25.258 12.213 -4.924
128 HB VAL 15 HB VAL 15 26.209 14.442 -5.508
129 HG11 VAL 15 HG11 VAL 15 28.609 13.986 -5.274
130 HG12 VAL 15 HG12 VAL 15 28.264 14.649 -6.874
131 HG13 VAL 15 HG13 VAL 15 28.562 12.919 -6.680
132 HG21 VAL 15 HG21 VAL 15 26.028 14.218 -7.983
133 HG22 VAL 15 HG22 VAL 15 24.773 13.308 -7.140
134 HG23 VAL 15 HG23 VAL 15 26.165 12.463 -7.821
135 H ARG 16 HN ARG 16 25.160 10.478 -6.295
136 HA ARG 16 HA ARG 16 27.524 9.010 -7.113
137 HB2 ARG 16 HB2 ARG 16 26.954 8.168 -4.785
138 HB3 ARG 16 HB1 ARG 16 25.389 7.651 -5.402
139 HG2 ARG 16 HG2 ARG 16 26.815 5.735 -5.334
140 HG3 ARG 16 HG1 ARG 16 26.587 6.154 -7.031
141 HD2 ARG 16 HD2 ARG 16 28.802 7.376 -6.929
142 HD3 ARG 16 HD1 ARG 16 29.030 6.706 -5.308
143 HE ARG 16 HE ARG 16 28.495 4.571 -7.017
144 HH11 ARG 16 HH11 ARG 16 31.023 6.965 -6.634
145 HH12 ARG 16 HH12 ARG 16 32.249 5.960 -7.336
146 HH21 ARG 16 HH21 ARG 16 30.096 3.274 -7.985
147 HH22 ARG 16 HH22 ARG 16 31.723 3.860 -8.094
148 H LYS 17 HN LYS 17 27.179 8.296 -9.125
149 HA LYS 17 HA LYS 17 26.288 7.575 -11.060
150 HB2 LYS 17 HB2 LYS 17 25.253 5.844 -9.413
151 HB3 LYS 17 HB1 LYS 17 23.760 6.751 -9.577
152 HG2 LYS 17 HG2 LYS 17 23.665 4.859 -11.062
153 HG3 LYS 17 HG1 LYS 17 23.806 6.320 -12.047
154 HD2 LYS 17 HD2 LYS 17 26.273 5.866 -12.263
155 HD3 LYS 17 HD1 LYS 17 26.038 4.356 -11.374
156 HE2 LYS 17 HE2 LYS 17 24.464 3.606 -13.175
157 HE3 LYS 17 HE1 LYS 17 24.830 5.088 -14.065
158 HZ1 LYS 17 HZ1 LYS 17 26.122 3.225 -14.847
159 HZ2 LYS 17 HZ2 LYS 17 26.779 2.991 -13.311
160 HZ3 LYS 17 HZ3 LYS 17 27.135 4.396 -14.178
161 H GLY 18 HN GLY 18 25.852 10.322 -10.101
162 HA2 GLY 18 HA2 GLY 18 24.973 12.242 -11.040
163 HA3 GLY 18 HA1 GLY 18 23.955 11.262 -12.079
164 H LYS 19 HN LYS 19 23.562 10.218 -8.932
165 HA LYS 19 HA LYS 19 21.232 11.975 -8.429
166 HB2 LYS 19 HB2 LYS 19 21.530 8.972 -7.985
167 HB3 LYS 19 HB1 LYS 19 20.268 9.922 -7.192
168 HG2 LYS 19 HG2 LYS 19 20.638 9.610 -10.193
169 HG3 LYS 19 HG1 LYS 19 19.411 8.802 -9.202
170 HD2 LYS 19 HD2 LYS 19 18.394 10.970 -8.654
171 HD3 LYS 19 HD1 LYS 19 19.663 11.826 -9.535
172 HE2 LYS 19 HE2 LYS 19 18.867 10.760 -11.643
173 HE3 LYS 19 HE1 LYS 19 17.566 9.980 -10.737
174 HZ1 LYS 19 HZ1 LYS 19 17.979 12.888 -11.130
175 HZ2 LYS 19 HZ2 LYS 19 16.825 12.240 -10.079
176 HZ3 LYS 19 HZ3 LYS 19 16.719 11.941 -11.739
177 H VAL 20 HN VAL 20 21.529 13.201 -6.700
178 HA VAL 20 HA VAL 20 23.568 12.698 -4.748
179 HB VAL 20 HB VAL 20 21.218 14.641 -4.494
180 HG11 VAL 20 HG11 VAL 20 23.943 14.638 -3.123
181 HG12 VAL 20 HG12 VAL 20 22.392 14.264 -2.364
182 HG13 VAL 20 HG13 VAL 20 22.713 15.895 -2.953
183 HG21 VAL 20 HG21 VAL 20 22.421 15.076 -6.606
184 HG22 VAL 20 HG22 VAL 20 23.952 15.179 -5.732
185 HG23 VAL 20 HG23 VAL 20 22.691 16.385 -5.451
186 H GLU 21 HN GLU 21 23.357 11.029 -3.412
187 HA GLU 21 HA GLU 21 20.728 10.163 -2.418
188 HB2 GLU 21 HB2 GLU 21 21.877 8.031 -1.797
189 HB3 GLU 21 HB1 GLU 21 21.914 8.373 -3.523
190 HG2 GLU 21 HG2 GLU 21 24.231 9.026 -3.426
191 HG3 GLU 21 HG1 GLU 21 24.230 8.951 -1.661
192 H TYR 22 HN TYR 22 20.279 10.055 -0.354
193 HA TYR 22 HA TYR 22 22.084 11.357 1.603
194 HB2 TYR 22 HB2 TYR 22 19.014 11.367 1.480
195 HB3 TYR 22 HB1 TYR 22 20.002 12.208 2.665
196 HD1 TYR 22 HD1 TYR 22 19.174 12.120 -0.988
197 HD2 TYR 22 HD2 TYR 22 20.746 14.448 2.227
198 HE1 TYR 22 HE1 TYR 22 19.213 14.099 -2.435
199 HE2 TYR 22 HE2 TYR 22 20.771 16.430 0.782
200 HH TYR 22 HH TYR 22 19.239 16.486 -2.311
201 H LEU 23 HN LEU 23 22.746 9.816 3.137
202 HA LEU 23 HA LEU 23 21.239 7.470 3.783
203 HB2 LEU 23 HB2 LEU 23 23.677 7.735 4.367
204 HB3 LEU 23 HB1 LEU 23 23.240 8.970 5.535
205 HG LEU 23 HG LEU 23 21.837 7.187 6.732
206 HD11 LEU 23 HD11 LEU 23 21.651 5.593 4.887
207 HD12 LEU 23 HD12 LEU 23 22.344 4.847 6.322
208 HD13 LEU 23 HD13 LEU 23 23.388 5.284 4.965
209 HD21 LEU 23 HD21 LEU 23 24.824 6.691 6.606
210 HD22 LEU 23 HD22 LEU 23 23.737 6.200 7.910
211 HD23 LEU 23 HD23 LEU 23 24.022 7.911 7.598
212 H VAL 24 HN VAL 24 19.111 8.196 4.002
213 HA VAL 24 HA VAL 24 18.363 10.404 5.671
214 HB VAL 24 HB VAL 24 16.545 8.120 4.753
215 HG11 VAL 24 HG11 VAL 24 14.731 9.801 4.931
216 HG12 VAL 24 HG12 VAL 24 15.897 11.008 5.487
217 HG13 VAL 24 HG13 VAL 24 15.560 9.585 6.476
218 HG21 VAL 24 HG21 VAL 24 17.224 10.662 3.220
219 HG22 VAL 24 HG22 VAL 24 16.002 9.475 2.753
220 HG23 VAL 24 HG23 VAL 24 17.707 9.021 2.780
221 H LYS 25 HN LYS 25 18.162 10.345 7.884
222 HA LYS 25 HA LYS 25 18.627 7.862 9.292
223 HB2 LYS 25 HB2 LYS 25 19.510 10.059 10.133
224 HB3 LYS 25 HB1 LYS 25 17.860 10.592 10.438
225 HG2 LYS 25 HG2 LYS 25 19.020 9.812 12.490
226 HG3 LYS 25 HG1 LYS 25 17.562 8.871 12.137
227 HD2 LYS 25 HD2 LYS 25 18.918 7.043 11.215
228 HD3 LYS 25 HD1 LYS 25 20.393 7.991 11.397
229 HE2 LYS 25 HE2 LYS 25 20.233 6.334 13.181
230 HE3 LYS 25 HE1 LYS 25 20.089 7.954 13.861
231 HZ1 LYS 25 HZ1 LYS 25 17.713 7.665 14.004
232 HZ2 LYS 25 HZ2 LYS 25 18.492 6.397 14.807
233 HZ3 LYS 25 HZ3 LYS 25 17.810 6.137 13.281
234 H TRP 26 HN TRP 26 16.970 6.505 8.952
235 HA TRP 26 HA TRP 26 14.188 7.149 9.309
236 HB2 TRP 26 HB2 TRP 26 15.579 4.418 9.292
237 HB3 TRP 26 HB1 TRP 26 13.862 4.714 9.027
238 HD1 TRP 26 HD1 TRP 26 17.250 4.898 7.186
239 HE1 TRP 26 HE1 TRP 26 16.850 5.334 4.689
240 HE3 TRP 26 HE3 TRP 26 12.217 5.690 7.289
241 HZ2 TRP 26 HZ2 TRP 26 14.720 5.934 2.995
242 HZ3 TRP 26 HZ3 TRP 26 11.066 6.171 5.174
243 HH2 TRP 26 HH2 TRP 26 12.293 6.289 3.067
244 H LYS 27 HN LYS 27 13.454 7.706 11.339
245 HA LYS 27 HA LYS 27 15.309 7.593 13.510
246 HB2 LYS 27 HB2 LYS 27 13.741 8.969 14.758
247 HB3 LYS 27 HB1 LYS 27 13.930 9.578 13.118
248 HG2 LYS 27 HG2 LYS 27 11.758 8.556 12.491
249 HG3 LYS 27 HG1 LYS 27 11.569 7.960 14.148
250 HD2 LYS 27 HD2 LYS 27 11.558 10.286 14.989
251 HD3 LYS 27 HD1 LYS 27 11.785 10.896 13.348
252 HE2 LYS 27 HE2 LYS 27 9.577 9.885 12.722
253 HE3 LYS 27 HE1 LYS 27 9.356 9.400 14.404
254 HZ1 LYS 27 HZ1 LYS 27 8.207 11.441 13.977
255 HZ2 LYS 27 HZ2 LYS 27 9.607 12.167 13.388
256 HZ3 LYS 27 HZ3 LYS 27 9.499 11.759 15.020
257 H GLY 28 HN GLY 28 12.606 5.585 12.664
258 HA2 GLY 28 HA2 GLY 28 12.194 4.366 15.236
259 HA3 GLY 28 HA1 GLY 28 11.698 3.726 13.682
260 H TRP 29 HN TRP 29 14.772 4.215 13.080
261 HA TRP 29 HA TRP 29 15.675 1.517 13.884
262 HB2 TRP 29 HB2 TRP 29 16.045 2.910 11.181
263 HB3 TRP 29 HB1 TRP 29 16.581 1.284 11.586
264 HD1 TRP 29 HD1 TRP 29 13.242 3.245 11.106
265 HE1 TRP 29 HE1 TRP 29 11.457 1.602 10.274
266 HE3 TRP 29 HE3 TRP 29 15.952 -1.091 11.289
267 HZ2 TRP 29 HZ2 TRP 29 11.215 -1.148 9.738
268 HZ3 TRP 29 HZ3 TRP 29 14.875 -3.181 10.573
269 HH2 TRP 29 HH2 TRP 29 12.552 -3.215 9.812
270 HA PRO 30 HA PRO 30 19.589 3.681 14.895
271 HB2 PRO 30 HB2 PRO 30 21.376 1.613 14.712
272 HB3 PRO 30 HB1 PRO 30 20.221 1.749 16.046
273 HG2 PRO 30 HG2 PRO 30 20.032 0.098 13.538
274 HG3 PRO 30 HG1 PRO 30 19.710 -0.390 15.216
275 HD2 PRO 30 HD2 PRO 30 17.705 0.276 13.505
276 HD3 PRO 30 HD1 PRO 30 17.603 0.628 15.243
277 HA PRO 31 HA PRO 31 21.384 5.132 11.101
278 HB2 PRO 31 HB2 PRO 31 24.123 5.312 11.557
279 HB3 PRO 31 HB1 PRO 31 22.935 6.444 12.221
280 HG2 PRO 31 HG2 PRO 31 24.185 4.024 13.520
281 HG3 PRO 31 HG1 PRO 31 23.953 5.653 14.192
282 HD2 PRO 31 HD2 PRO 31 22.278 3.657 14.837
283 HD3 PRO 31 HD1 PRO 31 21.652 5.300 14.579
284 H LYS 32 HN LYS 32 22.686 2.065 12.228
285 HA LYS 32 HA LYS 32 23.931 1.383 9.698
286 HB2 LYS 32 HB2 LYS 32 24.289 -0.865 10.677
287 HB3 LYS 32 HB1 LYS 32 24.911 0.430 11.692
288 HG2 LYS 32 HG2 LYS 32 22.993 0.198 13.209
289 HG3 LYS 32 HG1 LYS 32 22.297 -1.043 12.158
290 HD2 LYS 32 HD2 LYS 32 24.260 -2.502 12.580
291 HD3 LYS 32 HD1 LYS 32 24.957 -1.268 13.640
292 HE2 LYS 32 HE2 LYS 32 23.075 -1.507 15.188
293 HE3 LYS 32 HE1 LYS 32 22.294 -2.664 14.106
294 HZ1 LYS 32 HZ1 LYS 32 24.900 -3.049 15.458
295 HZ2 LYS 32 HZ2 LYS 32 24.144 -4.161 14.438
296 HZ3 LYS 32 HZ3 LYS 32 23.435 -3.755 15.916
297 H TYR 33 HN TYR 33 20.787 0.858 11.193
298 HA TYR 33 HA TYR 33 19.825 -0.800 8.973
299 HB2 TYR 33 HB2 TYR 33 18.551 0.230 11.529
300 HB3 TYR 33 HB1 TYR 33 17.560 -0.452 10.250
301 HD1 TYR 33 HD2 TYR 33 20.463 -1.304 12.481
302 HD2 TYR 33 HD1 TYR 33 17.207 -2.804 10.160
303 HE1 TYR 33 HE2 TYR 33 20.859 -3.553 13.380
304 HE2 TYR 33 HE1 TYR 33 17.606 -5.056 11.058
305 HH TYR 33 HH TYR 33 19.492 -6.346 12.077
306 H SER 34 HN SER 34 20.326 2.487 9.485
307 HA SER 34 HA SER 34 18.145 3.511 7.881
308 HB2 SER 34 HB2 SER 34 20.730 4.852 8.805
309 HB3 SER 34 HB1 SER 34 19.374 5.677 8.024
310 HG SER 34 HG SER 34 18.881 4.138 10.320
311 H THR 35 HN THR 35 18.677 4.716 5.778
312 HA THR 35 HA THR 35 20.548 3.104 4.176
313 HB THR 35 HB THR 35 17.608 3.277 3.395
314 HG1 THR 35 HG1 THR 35 18.904 1.406 5.094
315 HG21 THR 35 HG21 THR 35 19.804 1.330 2.669
316 HG22 THR 35 HG22 THR 35 19.221 2.640 1.637
317 HG23 THR 35 HG23 THR 35 18.150 1.300 2.056
318 H TRP 36 HN TRP 36 20.830 3.881 1.990
319 HA TRP 36 HA TRP 36 20.919 6.795 1.876
320 HB2 TRP 36 HB2 TRP 36 22.179 4.674 0.087
321 HB3 TRP 36 HB1 TRP 36 22.411 6.405 -0.107
322 HD1 TRP 36 HD1 TRP 36 23.391 3.502 2.243
323 HE1 TRP 36 HE1 TRP 36 25.465 4.217 3.586
324 HE3 TRP 36 HE3 TRP 36 23.653 8.412 0.796
325 HZ2 TRP 36 HZ2 TRP 36 27.012 6.548 3.985
326 HZ3 TRP 36 HZ3 TRP 36 25.463 9.817 1.704
327 HH2 TRP 36 HH2 TRP 36 27.108 8.902 3.268
328 H GLU 37 HN GLU 37 18.800 7.378 1.387
329 HA GLU 37 HA GLU 37 17.690 6.611 -1.242
330 HB2 GLU 37 HB2 GLU 37 16.453 7.609 1.319
331 HB3 GLU 37 HB1 GLU 37 15.653 8.008 -0.191
332 HG2 GLU 37 HG2 GLU 37 14.662 6.044 0.802
333 HG3 GLU 37 HG1 GLU 37 15.418 5.648 -0.740
334 HA PRO 38 HA PRO 38 19.067 10.727 -2.686
335 HB2 PRO 38 HB2 PRO 38 17.441 9.933 -5.088
336 HB3 PRO 38 HB1 PRO 38 19.112 10.515 -4.997
337 HG2 PRO 38 HG2 PRO 38 18.599 7.934 -5.467
338 HG3 PRO 38 HG1 PRO 38 19.954 8.408 -4.419
339 HD2 PRO 38 HD2 PRO 38 17.215 7.392 -3.638
340 HD3 PRO 38 HD1 PRO 38 18.811 6.963 -2.973
341 H GLU 39 HN GLU 39 17.899 12.565 -3.818
342 HA GLU 39 HA GLU 39 15.879 13.503 -2.084
343 HB2 GLU 39 HB2 GLU 39 15.917 15.551 -3.556
344 HB3 GLU 39 HB1 GLU 39 17.479 15.045 -2.922
345 HG2 GLU 39 HG2 GLU 39 17.962 13.946 -5.123
346 HG3 GLU 39 HG1 GLU 39 16.456 14.625 -5.747
347 H GLU 40 HN GLU 40 15.548 11.679 -4.968
348 HA GLU 40 HA GLU 40 12.912 12.646 -5.658
349 HB2 GLU 40 HB2 GLU 40 12.892 10.487 -7.136
350 HB3 GLU 40 HB1 GLU 40 13.968 11.805 -7.552
351 HG2 GLU 40 HG2 GLU 40 15.146 9.738 -7.877
352 HG3 GLU 40 HG1 GLU 40 15.862 10.585 -6.512
353 H HIS 41 HN HIS 41 14.176 10.194 -3.494
354 HA HIS 41 HA HIS 41 11.604 8.961 -2.927
355 HB2 HIS 41 HB2 HIS 41 14.339 8.760 -1.617
356 HB3 HIS 41 HB1 HIS 41 12.928 7.988 -0.911
357 HD1 HIS 41 HD1 HIS 41 15.681 6.953 -2.665
358 HD2 HIS 41 HD2 HIS 41 11.631 6.441 -3.401
359 HE1 HIS 41 HE1 HIS 41 15.520 4.911 -4.112
360 HE2 HIS 41 HE2 HIS 41 13.091 4.782 -4.735
361 H ILE 42 HN ILE 42 13.347 11.724 -1.805
362 HA ILE 42 HA ILE 42 12.204 12.044 0.788
363 HB ILE 42 HB ILE 42 13.457 14.105 -1.087
364 HG12 ILE 42 HG12 ILE 42 15.050 12.301 -0.610
365 HG13 ILE 42 HG11 ILE 42 15.554 13.764 0.220
366 HG21 ILE 42 HG21 ILE 42 13.872 15.471 0.938
367 HG22 ILE 42 HG22 ILE 42 12.942 14.318 1.895
368 HG23 ILE 42 HG23 ILE 42 12.151 15.245 0.620
369 HD11 ILE 42 HD11 ILE 42 14.200 11.384 1.486
370 HD12 ILE 42 HD12 ILE 42 14.719 12.847 2.326
371 HD13 ILE 42 HD13 ILE 42 15.912 11.793 1.573
372 H LEU 43 HN LEU 43 10.212 12.833 1.358
373 HA LEU 43 HA LEU 43 8.268 13.513 -0.669
374 HB2 LEU 43 HB2 LEU 43 8.011 13.588 2.372
375 HB3 LEU 43 HB1 LEU 43 6.679 13.780 1.235
376 HG LEU 43 HG LEU 43 8.308 11.262 1.751
377 HD11 LEU 43 HD11 LEU 43 6.544 11.736 3.400
378 HD12 LEU 43 HD12 LEU 43 6.187 10.292 2.460
379 HD13 LEU 43 HD13 LEU 43 5.342 11.805 2.110
380 HD21 LEU 43 HD21 LEU 43 6.218 11.738 -0.391
381 HD22 LEU 43 HD22 LEU 43 6.880 10.166 0.062
382 HD23 LEU 43 HD23 LEU 43 7.933 11.391 -0.632
383 H ASP 44 HN ASP 44 9.418 15.235 2.230
384 HA ASP 44 HA ASP 44 8.372 17.776 1.152
385 HB2 ASP 44 HB2 ASP 44 7.537 16.948 3.374
386 HB3 ASP 44 HB1 ASP 44 9.173 17.033 4.003
387 HA PRO 45 HA PRO 45 12.550 19.008 0.126
388 HB2 PRO 45 HB2 PRO 45 12.257 21.776 0.215
389 HB3 PRO 45 HB1 PRO 45 11.714 20.760 -1.128
390 HG2 PRO 45 HG2 PRO 45 10.121 21.805 1.221
391 HG3 PRO 45 HG1 PRO 45 9.691 21.807 -0.505
392 HD2 PRO 45 HD2 PRO 45 8.678 19.960 1.130
393 HD3 PRO 45 HD1 PRO 45 9.199 19.499 -0.508
394 H ARG 46 HN ARG 46 11.071 20.261 3.087
395 HA ARG 46 HA ARG 46 13.410 21.504 4.180
396 HB2 ARG 46 HB2 ARG 46 10.893 20.590 5.628
397 HB3 ARG 46 HB1 ARG 46 12.112 21.697 6.272
398 HG2 ARG 46 HG2 ARG 46 11.550 23.361 4.578
399 HG3 ARG 46 HG1 ARG 46 10.428 22.240 3.800
400 HD2 ARG 46 HD2 ARG 46 9.157 23.809 5.098
401 HD3 ARG 46 HD1 ARG 46 9.057 22.240 5.897
402 HE ARG 46 HE ARG 46 11.158 23.606 7.095
403 HH11 ARG 46 HH11 ARG 46 7.699 24.051 6.743
404 HH12 ARG 46 HH12 ARG 46 7.536 24.963 8.207
405 HH21 ARG 46 HH21 ARG 46 10.946 24.822 9.010
406 HH22 ARG 46 HH22 ARG 46 9.392 25.418 9.488
407 H LEU 47 HN LEU 47 12.366 18.206 4.052
408 HA LEU 47 HA LEU 47 13.776 17.087 6.215
409 HB2 LEU 47 HB2 LEU 47 12.172 15.841 4.830
410 HB3 LEU 47 HB1 LEU 47 13.241 15.947 3.443
411 HG LEU 47 HG LEU 47 14.825 14.405 4.448
412 HD11 LEU 47 HD11 LEU 47 13.098 14.418 6.937
413 HD12 LEU 47 HD12 LEU 47 14.708 15.128 6.784
414 HD13 LEU 47 HD13 LEU 47 14.497 13.386 6.645
415 HD21 LEU 47 HD21 LEU 47 13.462 12.370 4.619
416 HD22 LEU 47 HD22 LEU 47 12.885 13.391 3.303
417 HD23 LEU 47 HD23 LEU 47 12.004 13.342 4.833
418 H VAL 48 HN VAL 48 14.852 17.881 2.926
419 HA VAL 48 HA VAL 48 17.649 17.233 3.412
420 HB VAL 48 HB VAL 48 16.213 18.543 1.051
421 HG11 VAL 48 HG11 VAL 48 19.148 17.743 1.237
422 HG12 VAL 48 HG12 VAL 48 18.518 19.384 1.079
423 HG13 VAL 48 HG13 VAL 48 18.322 18.236 -0.245
424 HG21 VAL 48 HG21 VAL 48 17.385 15.740 1.352
425 HG22 VAL 48 HG22 VAL 48 16.622 16.384 -0.105
426 HG23 VAL 48 HG23 VAL 48 15.665 16.150 1.359
427 H MET 49 HN MET 49 15.671 20.156 2.994
428 HA MET 49 HA MET 49 17.778 22.018 2.796
429 HB2 MET 49 HB2 MET 49 14.799 22.356 3.241
430 HB3 MET 49 HB1 MET 49 15.883 23.748 3.172
431 HG2 MET 49 HG2 MET 49 15.475 21.714 0.967
432 HG3 MET 49 HG1 MET 49 14.791 23.340 1.018
433 HE1 MET 49 HE1 MET 49 17.493 23.666 -1.837
434 HE2 MET 49 HE2 MET 49 15.801 23.918 -1.407
435 HE3 MET 49 HE3 MET 49 16.451 22.280 -1.512
436 H ALA 50 HN ALA 50 15.949 20.898 5.616
437 HA ALA 50 HA ALA 50 16.912 22.915 7.429
438 HB1 ALA 50 HB1 ALA 50 14.856 21.633 7.907
439 HB2 ALA 50 HB2 ALA 50 16.023 21.497 9.227
440 HB3 ALA 50 HB3 ALA 50 15.814 20.164 8.085
441 H TYR 51 HN TYR 51 17.969 19.659 6.530
442 HA TYR 51 HA TYR 51 20.181 19.420 8.311
443 HB2 TYR 51 HB2 TYR 51 19.482 17.379 7.380
444 HB3 TYR 51 HB1 TYR 51 19.284 18.048 5.770
445 HD1 TYR 51 HD2 TYR 51 21.983 17.143 8.251
446 HD2 TYR 51 HD1 TYR 51 20.920 17.609 4.139
447 HE1 TYR 51 HE2 TYR 51 24.157 16.214 7.576
448 HE2 TYR 51 HE1 TYR 51 23.088 16.688 3.470
449 HH TYR 51 HH TYR 51 25.311 16.381 4.348
450 H GLU 52 HN GLU 52 19.833 20.755 5.053
451 HA GLU 52 HA GLU 52 22.604 21.384 4.638
452 HB2 GLU 52 HB2 GLU 52 20.053 22.253 3.218
453 HB3 GLU 52 HB1 GLU 52 21.669 22.723 2.696
454 HG2 GLU 52 HG2 GLU 52 20.688 19.858 2.871
455 HG3 GLU 52 HG1 GLU 52 20.686 20.840 1.402
456 H GLU 53 HN GLU 53 20.073 22.862 6.423
457 HA GLU 53 HA GLU 53 19.577 24.872 7.317
458 HB2 GLU 53 HB2 GLU 53 22.556 25.412 6.910
459 HB3 GLU 53 HB1 GLU 53 21.480 26.455 7.837
460 HG2 GLU 53 HG2 GLU 53 22.187 23.572 8.491
461 HG3 GLU 53 HG1 GLU 53 22.825 25.005 9.294
462 H LYS 54 HN LYS 54 19.523 24.406 4.405
463 HA LYS 54 HA LYS 54 20.147 26.959 3.139
464 HB2 LYS 54 HB2 LYS 54 20.135 24.197 2.267
465 HB3 LYS 54 HB1 LYS 54 18.977 25.042 1.273
466 HG2 LYS 54 HG2 LYS 54 21.885 25.869 1.623
467 HG3 LYS 54 HG1 LYS 54 21.248 24.926 0.268
468 HD2 LYS 54 HD2 LYS 54 20.418 27.770 1.006
469 HD3 LYS 54 HD1 LYS 54 21.515 27.330 -0.308
470 HE2 LYS 54 HE2 LYS 54 19.642 26.080 -1.409
471 HE3 LYS 54 HE1 LYS 54 18.566 26.595 -0.105
472 HZ1 LYS 54 HZ1 LYS 54 18.333 28.015 -2.006
473 HZ2 LYS 54 HZ2 LYS 54 19.983 28.357 -2.006
474 HZ3 LYS 54 HZ3 LYS 54 19.015 28.897 -0.731
475 H GLU 55 HN GLU 55 18.609 28.467 3.249
476 HA GLU 55 HA GLU 55 15.773 27.941 3.147
477 HB2 GLU 55 HB2 GLU 55 16.697 29.946 4.283
478 HB3 GLU 55 HB1 GLU 55 17.322 30.534 2.744
479 HG2 GLU 55 HG2 GLU 55 14.964 30.644 1.896
480 HG3 GLU 55 HG1 GLU 55 14.405 30.185 3.508
481 H GLU 56 HN GLU 56 14.937 27.241 1.386
482 HA GLU 56 HA GLU 56 15.884 26.511 -0.957
483 HB2 GLU 56 HB2 GLU 56 13.057 27.610 -0.824
484 HB3 GLU 56 HB1 GLU 56 13.646 26.319 -1.852
485 HG2 GLU 56 HG2 GLU 56 12.465 25.115 -0.250
486 HG3 GLU 56 HG1 GLU 56 14.084 25.071 0.445
487 H1 ALA 1 HT1 ALA 1 -1.845 17.064 8.851
488 H2 ALA 1 HT2 ALA 1 -0.687 18.187 8.355
489 H3 ALA 1 HT3 ALA 1 -1.417 18.350 9.868
490 HA ALA 1 HA ALA 1 -0.426 16.329 10.635
491 HB1 ALA 1 HB1 ALA 1 -0.321 15.150 8.477
492 HB2 ALA 1 HB2 ALA 1 1.247 15.141 9.286
493 HB3 ALA 1 HB3 ALA 1 0.956 16.240 7.933
494 H ARG 2 HN ARG 2 1.053 16.954 12.083
495 HA ARG 2 HA ARG 2 2.358 19.531 11.727
496 HB2 ARG 2 HB2 ARG 2 0.974 18.812 13.786
497 HB3 ARG 2 HB1 ARG 2 2.340 17.817 14.249
498 HG2 ARG 2 HG2 ARG 2 2.629 20.814 13.833
499 HG3 ARG 2 HG1 ARG 2 2.076 20.140 15.366
500 HD2 ARG 2 HD2 ARG 2 4.752 19.594 14.025
501 HD3 ARG 2 HD1 ARG 2 4.488 20.615 15.444
502 HE ARG 2 HE ARG 2 3.478 18.201 16.201
503 HH11 ARG 2 HH11 ARG 2 6.619 19.147 14.934
504 HH12 ARG 2 HH12 ARG 2 7.452 17.868 15.756
505 HH21 ARG 2 HH21 ARG 2 4.602 16.554 17.273
506 HH22 ARG 2 HH22 ARG 2 6.317 16.407 17.080
507 H THR 3 HN THR 3 4.021 19.176 10.357
508 HA THR 3 HA THR 3 6.082 18.701 9.580
509 HB THR 3 HB THR 3 7.945 19.045 11.237
510 HG1 THR 3 HG1 THR 3 6.866 18.098 13.055
511 HG21 THR 3 HG21 THR 3 6.902 20.995 10.144
512 HG22 THR 3 HG22 THR 3 7.362 21.382 11.803
513 HG23 THR 3 HG23 THR 3 5.671 21.058 11.419
514 H LYS 4 HN LYS 4 4.899 16.379 9.435
515 HA LYS 4 HA LYS 4 6.713 14.346 10.544
516 HB2 LYS 4 HB2 LYS 4 4.065 14.174 9.076
517 HB3 LYS 4 HB1 LYS 4 5.117 12.762 9.195
518 HG2 LYS 4 HG2 LYS 4 5.067 12.949 11.668
519 HG3 LYS 4 HG1 LYS 4 3.959 14.321 11.537
520 HD2 LYS 4 HD2 LYS 4 2.196 12.953 10.696
521 HD3 LYS 4 HD1 LYS 4 3.292 11.622 10.311
522 HE2 LYS 4 HE2 LYS 4 1.908 11.139 12.303
523 HE3 LYS 4 HE1 LYS 4 3.628 11.166 12.687
524 HZ1 LYS 4 HZ1 LYS 4 2.326 12.295 14.364
525 HZ2 LYS 4 HZ2 LYS 4 1.698 13.355 13.216
526 HZ3 LYS 4 HZ3 LYS 4 3.343 13.400 13.582
527 H GLN 5 HN GLN 5 8.585 15.056 9.461
528 HA GLN 5 HA GLN 5 8.888 14.958 6.623
529 HB2 GLN 5 HB2 GLN 5 10.980 14.627 8.824
530 HB3 GLN 5 HB1 GLN 5 11.337 14.870 7.116
531 HG2 GLN 5 HG2 GLN 5 9.910 16.853 8.920
532 HG3 GLN 5 HG1 GLN 5 11.606 16.940 8.446
533 HE21 GLN 5 HE21 GLN 5 9.439 18.873 7.989
534 HE22 GLN 5 HE22 GLN 5 9.360 19.101 6.280
535 H THR 6 HN THR 6 9.231 13.210 5.338
536 HA THR 6 HA THR 6 9.781 10.543 6.379
537 HB THR 6 HB THR 6 7.130 11.140 4.960
538 HG1 THR 6 HG1 THR 6 7.814 11.021 7.641
539 HG21 THR 6 HG21 THR 6 6.527 8.810 5.492
540 HG22 THR 6 HG22 THR 6 8.112 8.556 6.224
541 HG23 THR 6 HG23 THR 6 7.981 8.854 4.490
542 H ALA 7 HN ALA 7 10.235 9.034 4.637
543 HA ALA 7 HA ALA 7 10.342 10.050 1.879
544 HB1 ALA 7 HB1 ALA 7 12.667 9.251 1.586
545 HB2 ALA 7 HB2 ALA 7 12.741 8.824 3.300
546 HB3 ALA 7 HB3 ALA 7 12.577 10.513 2.816
547 H ARG 8 HN ARG 8 10.524 8.228 0.281
548 HA ARG 8 HA ARG 8 9.537 5.627 1.228
549 HB2 ARG 8 HB2 ARG 8 10.234 6.621 -1.574
550 HB3 ARG 8 HB1 ARG 8 9.748 4.969 -1.241
551 HG2 ARG 8 HG2 ARG 8 7.826 6.001 -2.083
552 HG3 ARG 8 HG1 ARG 8 7.554 5.931 -0.341
553 HD2 ARG 8 HD2 ARG 8 8.124 8.300 -0.134
554 HD3 ARG 8 HD1 ARG 8 8.545 8.374 -1.853
555 HE ARG 8 HE ARG 8 5.800 7.796 -0.867
556 HH11 ARG 8 HH11 ARG 8 7.928 9.556 -3.059
557 HH12 ARG 8 HH12 ARG 8 6.617 10.302 -3.909
558 HH21 ARG 8 HH21 ARG 8 4.114 8.804 -1.973
559 HH22 ARG 8 HH22 ARG 8 4.449 9.872 -3.295
560 H M3L 9 HN M3L 9 10.764 3.685 1.128
561 HA M3L 9 HA M3L 9 13.659 3.914 0.809
562 HB2 M3L 9 HB2 M3L 9 11.876 1.604 1.678
563 HB3 M3L 9 HB1 M3L 9 13.601 1.400 1.371
564 HG2 M3L 9 HG2 M3L 9 14.006 3.245 3.074
565 HG3 M3L 9 HG1 M3L 9 12.295 3.118 3.505
566 HD2 M3L 9 HD2 M3L 9 12.623 0.784 4.224
567 HD3 M3L 9 HD1 M3L 9 14.299 0.818 3.649
568 HE2 M3L 9 HE2 M3L 9 14.771 2.664 5.284
569 HE3 M3L 9 HE1 M3L 9 13.130 2.492 5.910
570 HM11 M3L 9 HH33 M3L 9 12.505 0.422 7.221
571 HM12 M3L 9 HH31 M3L 9 13.701 -0.843 7.504
572 HM13 M3L 9 HH32 M3L 9 13.014 -0.623 5.892
573 HM21 M3L 9 HH11 M3L 9 16.010 -0.638 6.543
574 HM22 M3L 9 HH12 M3L 9 16.447 0.781 5.591
575 HM23 M3L 9 HH13 M3L 9 15.327 -0.411 4.931
576 HM31 M3L 9 HH21 M3L 9 15.755 2.243 7.500
577 HM32 M3L 9 HH22 M3L 9 15.304 0.813 8.431
578 HM33 M3L 9 HH23 M3L 9 14.130 2.108 8.185
579 H SER 10 HN SER 10 14.836 2.387 -0.547
580 HA SER 10 HA SER 10 13.763 2.153 -3.226
581 HB2 SER 10 HB2 SER 10 16.099 1.159 -3.664
582 HB3 SER 10 HB1 SER 10 16.056 2.817 -3.064
583 HG SER 10 HG SER 10 17.124 2.201 -1.381
584 H THR 11 HN THR 11 12.014 0.708 -2.112
585 HA THR 11 HA THR 11 12.618 -2.008 -1.452
586 HB THR 11 HB THR 11 10.636 -0.978 -0.486
587 HG1 THR 11 HG1 THR 11 10.588 -3.325 -1.750
588 HG21 THR 11 HG21 THR 11 9.519 -0.759 -3.304
589 HG22 THR 11 HG22 THR 11 10.055 0.595 -2.303
590 HG23 THR 11 HG23 THR 11 8.653 -0.364 -1.815
591 H GLY 12 HN GLY 12 11.856 -0.347 -4.439
592 HA2 GLY 12 HA2 GLY 12 12.103 -2.902 -5.958
593 HA3 GLY 12 HA1 GLY 12 11.237 -1.474 -6.524
594 H GLY 13 HN GLY 13 14.279 -1.222 -4.835
595 HA2 GLY 13 HA2 GLY 13 15.577 -0.134 -7.276
596 HA3 GLY 13 HA1 GLY 13 15.815 0.483 -5.645
597 H LYS 14 HN LYS 14 17.645 -0.684 -7.714
598 HA LYS 14 HA LYS 14 18.793 -3.017 -6.335
599 HB2 LYS 14 HB2 LYS 14 19.537 -1.763 -9.026
600 HB3 LYS 14 HB1 LYS 14 20.275 -3.203 -8.340
601 HG2 LYS 14 HG2 LYS 14 18.779 -4.009 -9.964
602 HG3 LYS 14 HG1 LYS 14 17.967 -4.286 -8.432
603 HD2 LYS 14 HD2 LYS 14 16.302 -3.511 -9.960
604 HD3 LYS 14 HD1 LYS 14 16.617 -2.162 -8.870
605 HE2 LYS 14 HE2 LYS 14 17.898 -2.420 -11.614
606 HE3 LYS 14 HE1 LYS 14 16.374 -1.585 -11.343
607 HZ1 LYS 14 HZ1 LYS 14 18.251 -0.072 -11.424
608 HZ2 LYS 14 HZ2 LYS 14 18.969 -0.848 -10.109
609 HZ3 LYS 14 HZ3 LYS 14 17.505 -0.023 -9.913
610 H ALA 15 HN ALA 15 21.041 -3.042 -5.786
611 HA ALA 15 HA ALA 15 22.621 -0.608 -5.801
612 HB1 ALA 15 HB1 ALA 15 21.292 -0.290 -3.748
613 HB2 ALA 15 HB2 ALA 15 22.985 -0.577 -3.347
614 HB3 ALA 15 HB3 ALA 15 21.801 -1.872 -3.148
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 1.503 -0.585 -0.250
2 H2 GLY 1 HT2 GLY 1 2.094 -1.674 -1.392
3 H3 GLY 1 HT3 GLY 1 0.513 -1.103 -1.520
4 HA2 GLY 1 HA1 GLY 1 1.881 -0.008 -3.131
5 HA3 GLY 1 HA2 GLY 1 1.319 1.133 -1.919
6 H GLU 2 HN GLU 2 2.880 2.544 -1.391
7 HA GLU 2 HA GLU 2 5.708 1.840 -1.737
8 HB2 GLU 2 HB2 GLU 2 6.097 4.318 -1.451
9 HB3 GLU 2 HB1 GLU 2 5.082 3.885 -2.821
10 HG2 GLU 2 HG2 GLU 2 3.069 4.471 -1.401
11 HG3 GLU 2 HG1 GLU 2 4.188 5.077 -0.177
12 H GLN 3 HN GLN 3 7.088 1.497 -0.126
13 HA GLN 3 HA GLN 3 6.225 1.443 2.631
14 HB2 GLN 3 HB2 GLN 3 7.720 -0.318 1.696
15 HB3 GLN 3 HB1 GLN 3 8.968 0.887 1.402
16 HG2 GLN 3 HG2 GLN 3 9.290 1.234 3.767
17 HG3 GLN 3 HG1 GLN 3 7.902 0.227 4.166
18 HE21 GLN 3 HE21 GLN 3 8.102 -2.034 4.020
19 HE22 GLN 3 HE22 GLN 3 9.635 -2.820 3.903
20 H VAL 4 HN VAL 4 5.768 3.594 3.113
21 HA VAL 4 HA VAL 4 8.005 5.519 3.212
22 HB VAL 4 HB VAL 4 6.354 7.288 3.644
23 HG11 VAL 4 HG11 VAL 4 5.197 7.316 1.472
24 HG12 VAL 4 HG12 VAL 4 5.521 5.592 1.264
25 HG13 VAL 4 HG13 VAL 4 6.857 6.741 1.313
26 HG21 VAL 4 HG21 VAL 4 4.190 5.146 3.499
27 HG22 VAL 4 HG22 VAL 4 3.905 6.889 3.597
28 HG23 VAL 4 HG23 VAL 4 4.669 6.043 4.943
29 H PHE 5 HN PHE 5 8.829 6.197 5.094
30 HA PHE 5 HA PHE 5 7.477 5.629 7.653
31 HB2 PHE 5 HB2 PHE 5 10.296 4.847 6.859
32 HB3 PHE 5 HB1 PHE 5 10.002 5.335 8.521
33 HD1 PHE 5 HD2 PHE 5 8.749 2.911 5.923
34 HD2 PHE 5 HD1 PHE 5 9.302 3.729 10.085
35 HE1 PHE 5 HE2 PHE 5 8.032 0.624 6.476
36 HE2 PHE 5 HE1 PHE 5 8.592 1.438 10.625
37 HZ PHE 5 HZ PHE 5 7.957 -0.114 8.824
38 H ALA 6 HN ALA 6 8.151 7.031 9.354
39 HA ALA 6 HA ALA 6 8.771 9.743 8.556
40 HB1 ALA 6 HB1 ALA 6 7.095 9.339 10.320
41 HB2 ALA 6 HB2 ALA 6 8.444 10.291 10.942
42 HB3 ALA 6 HB3 ALA 6 8.322 8.573 11.331
43 H VAL 7 HN VAL 7 10.612 10.865 9.110
44 HA VAL 7 HA VAL 7 13.049 9.268 9.385
45 HB VAL 7 HB VAL 7 14.237 11.286 8.664
46 HG11 VAL 7 HG11 VAL 7 13.275 11.575 6.412
47 HG12 VAL 7 HG12 VAL 7 11.757 10.850 6.950
48 HG13 VAL 7 HG13 VAL 7 13.231 9.879 6.899
49 HG21 VAL 7 HG21 VAL 7 12.940 12.996 9.863
50 HG22 VAL 7 HG22 VAL 7 11.545 12.714 8.820
51 HG23 VAL 7 HG23 VAL 7 13.021 13.400 8.152
52 H GLU 8 HN GLU 8 14.606 9.640 10.963
53 HA GLU 8 HA GLU 8 14.042 11.281 13.289
54 HB2 GLU 8 HB2 GLU 8 15.360 9.145 13.411
55 HB3 GLU 8 HB1 GLU 8 16.627 9.882 12.438
56 HG2 GLU 8 HG2 GLU 8 17.112 11.478 14.196
57 HG3 GLU 8 HG1 GLU 8 15.738 10.910 15.144
58 H SER 9 HN SER 9 16.534 11.199 10.729
59 HA SER 9 HA SER 9 16.249 13.943 9.959
60 HB2 SER 9 HB2 SER 9 18.833 13.118 11.380
61 HB3 SER 9 HB1 SER 9 18.643 14.610 10.455
62 HG SER 9 HG SER 9 16.719 14.814 12.065
63 H ILE 10 HN ILE 10 18.027 14.443 8.191
64 HA ILE 10 HA ILE 10 18.744 12.098 6.614
65 HB ILE 10 HB ILE 10 19.642 15.007 6.302
66 HG12 ILE 10 HG12 ILE 10 17.204 14.782 5.974
67 HG13 ILE 10 HG11 ILE 10 18.007 15.187 4.467
68 HG21 ILE 10 HG21 ILE 10 21.242 13.475 5.265
69 HG22 ILE 10 HG22 ILE 10 20.368 14.376 4.027
70 HG23 ILE 10 HG23 ILE 10 19.944 12.693 4.353
71 HD11 ILE 10 HD11 ILE 10 16.242 13.572 4.110
72 HD12 ILE 10 HD12 ILE 10 16.988 12.455 5.253
73 HD13 ILE 10 HD13 ILE 10 17.807 12.850 3.739
74 H ARG 11 HN ARG 11 20.386 10.850 7.286
75 HA ARG 11 HA ARG 11 22.254 11.505 9.326
76 HB2 ARG 11 HB2 ARG 11 21.297 9.167 8.465
77 HB3 ARG 11 HB1 ARG 11 22.686 9.196 7.398
78 HG2 ARG 11 HG2 ARG 11 22.789 9.266 10.437
79 HG3 ARG 11 HG1 ARG 11 23.047 7.838 9.438
80 HD2 ARG 11 HD2 ARG 11 25.044 8.951 8.442
81 HD3 ARG 11 HD1 ARG 11 24.799 10.323 9.529
82 HE ARG 11 HE ARG 11 25.553 7.573 10.321
83 HH11 ARG 11 HH11 ARG 11 25.340 10.999 11.175
84 HH12 ARG 11 HH12 ARG 11 26.268 10.798 12.623
85 HH21 ARG 11 HH21 ARG 11 26.759 7.366 12.216
86 HH22 ARG 11 HH22 ARG 11 27.069 8.755 13.207
87 H LYS 12 HN LYS 12 22.682 10.947 5.789
88 HA LYS 12 HA LYS 12 24.894 12.882 5.666
89 HB2 LYS 12 HB2 LYS 12 25.152 9.981 4.750
90 HB3 LYS 12 HB1 LYS 12 26.246 11.258 4.224
91 HG2 LYS 12 HG2 LYS 12 26.970 11.597 6.565
92 HG3 LYS 12 HG1 LYS 12 25.865 10.320 7.085
93 HD2 LYS 12 HD2 LYS 12 27.124 8.672 5.736
94 HD3 LYS 12 HD1 LYS 12 28.209 9.949 5.176
95 HE2 LYS 12 HE2 LYS 12 28.966 10.310 7.509
96 HE3 LYS 12 HE1 LYS 12 27.898 9.012 8.051
97 HZ1 LYS 12 HZ1 LYS 12 30.137 8.696 6.131
98 HZ2 LYS 12 HZ2 LYS 12 29.148 7.460 6.724
99 HZ3 LYS 12 HZ3 LYS 12 30.190 8.288 7.768
100 H LYS 13 HN LYS 13 25.609 13.184 3.340
101 HA LYS 13 HA LYS 13 23.599 12.758 1.262
102 HB2 LYS 13 HB2 LYS 13 22.761 14.840 2.201
103 HB3 LYS 13 HB1 LYS 13 24.380 15.526 2.293
104 HG2 LYS 13 HG2 LYS 13 24.468 15.562 -0.214
105 HG3 LYS 13 HG1 LYS 13 22.809 14.956 -0.254
106 HD2 LYS 13 HD2 LYS 13 22.051 17.012 0.938
107 HD3 LYS 13 HD1 LYS 13 23.714 17.612 0.947
108 HE2 LYS 13 HE2 LYS 13 23.717 17.709 -1.505
109 HE3 LYS 13 HE1 LYS 13 22.102 17.001 -1.563
110 HZ1 LYS 13 HZ1 LYS 13 21.983 19.353 -1.870
111 HZ2 LYS 13 HZ2 LYS 13 22.824 19.647 -0.434
112 HZ3 LYS 13 HZ3 LYS 13 21.279 18.967 -0.383
113 H ARG 14 HN ARG 14 24.565 12.553 -0.686
114 HA ARG 14 HA ARG 14 27.066 13.795 -1.412
115 HB2 ARG 14 HB2 ARG 14 28.455 11.841 -1.634
116 HB3 ARG 14 HB1 ARG 14 27.769 11.758 -0.015
117 HG2 ARG 14 HG2 ARG 14 25.973 10.205 -1.074
118 HG3 ARG 14 HG1 ARG 14 27.080 10.088 -2.446
119 HD2 ARG 14 HD2 ARG 14 27.614 9.266 0.430
120 HD3 ARG 14 HD1 ARG 14 27.413 8.196 -0.961
121 HE ARG 14 HE ARG 14 29.627 10.034 -1.203
122 HH11 ARG 14 HH11 ARG 14 28.669 6.821 -0.126
123 HH12 ARG 14 HH12 ARG 14 30.307 6.279 0.087
124 HH21 ARG 14 HH21 ARG 14 31.755 9.327 -0.873
125 HH22 ARG 14 HH22 ARG 14 32.052 7.699 -0.340
126 H VAL 15 HN VAL 15 27.716 12.926 -3.723
127 HA VAL 15 HA VAL 15 25.309 12.000 -5.191
128 HB VAL 15 HB VAL 15 25.811 14.280 -5.875
129 HG11 VAL 15 HG11 VAL 15 27.917 14.958 -6.976
130 HG12 VAL 15 HG12 VAL 15 28.603 13.365 -6.640
131 HG13 VAL 15 HG13 VAL 15 28.187 14.441 -5.306
132 HG21 VAL 15 HG21 VAL 15 26.024 13.968 -8.322
133 HG22 VAL 15 HG22 VAL 15 24.950 12.764 -7.606
134 HG23 VAL 15 HG23 VAL 15 26.595 12.315 -8.062
135 H ARG 16 HN ARG 16 25.476 9.978 -5.720
136 HA ARG 16 HA ARG 16 28.047 8.679 -6.315
137 HB2 ARG 16 HB2 ARG 16 25.344 7.556 -5.438
138 HB3 ARG 16 HB1 ARG 16 26.691 6.540 -5.949
139 HG2 ARG 16 HG2 ARG 16 26.723 8.436 -3.575
140 HG3 ARG 16 HG1 ARG 16 26.490 6.685 -3.496
141 HD2 ARG 16 HD2 ARG 16 28.984 8.110 -4.514
142 HD3 ARG 16 HD1 ARG 16 28.814 7.296 -2.955
143 HE ARG 16 HE ARG 16 28.233 5.299 -4.639
144 HH11 ARG 16 HH11 ARG 16 30.904 7.574 -4.754
145 HH12 ARG 16 HH12 ARG 16 31.994 6.440 -5.486
146 HH21 ARG 16 HH21 ARG 16 29.664 3.837 -5.621
147 HH22 ARG 16 HH22 ARG 16 31.292 4.325 -5.977
148 H LYS 17 HN LYS 17 28.288 9.217 -8.467
149 HA LYS 17 HA LYS 17 28.211 8.844 -10.703
150 HB2 LYS 17 HB2 LYS 17 26.362 6.532 -9.976
151 HB3 LYS 17 HB1 LYS 17 27.202 6.738 -11.515
152 HG2 LYS 17 HG2 LYS 17 29.378 6.509 -10.351
153 HG3 LYS 17 HG1 LYS 17 28.531 6.318 -8.814
154 HD2 LYS 17 HD2 LYS 17 29.221 4.134 -9.656
155 HD3 LYS 17 HD1 LYS 17 27.459 4.245 -9.669
156 HE2 LYS 17 HE2 LYS 17 28.299 3.178 -11.728
157 HE3 LYS 17 HE1 LYS 17 27.504 4.709 -12.096
158 HZ1 LYS 17 HZ1 LYS 17 30.441 4.331 -11.852
159 HZ2 LYS 17 HZ2 LYS 17 29.653 5.763 -12.282
160 HZ3 LYS 17 HZ3 LYS 17 29.591 4.424 -13.310
161 H GLY 18 HN GLY 18 26.560 10.849 -9.792
162 HA2 GLY 18 HA2 GLY 18 25.146 12.313 -10.977
163 HA3 GLY 18 HA1 GLY 18 24.508 10.960 -11.899
164 H LYS 19 HN LYS 19 24.288 9.621 -9.064
165 HA LYS 19 HA LYS 19 21.526 10.436 -8.540
166 HB2 LYS 19 HB2 LYS 19 23.297 8.270 -7.295
167 HB3 LYS 19 HB1 LYS 19 21.587 8.488 -6.950
168 HG2 LYS 19 HG2 LYS 19 22.556 7.939 -9.753
169 HG3 LYS 19 HG1 LYS 19 22.341 6.624 -8.592
170 HD2 LYS 19 HD2 LYS 19 20.195 8.544 -9.579
171 HD3 LYS 19 HD1 LYS 19 20.362 6.839 -10.009
172 HE2 LYS 19 HE2 LYS 19 19.623 8.002 -7.308
173 HE3 LYS 19 HE1 LYS 19 18.617 7.006 -8.357
174 HZ1 LYS 19 HZ1 LYS 19 21.008 6.153 -6.800
175 HZ2 LYS 19 HZ2 LYS 19 20.293 5.193 -7.991
176 HZ3 LYS 19 HZ3 LYS 19 19.407 5.627 -6.622
177 H VAL 20 HN VAL 20 21.409 12.302 -7.258
178 HA VAL 20 HA VAL 20 23.292 12.683 -5.053
179 HB VAL 20 HB VAL 20 20.755 14.292 -5.618
180 HG11 VAL 20 HG11 VAL 20 23.169 14.935 -3.864
181 HG12 VAL 20 HG12 VAL 20 21.553 14.515 -3.286
182 HG13 VAL 20 HG13 VAL 20 21.809 16.021 -4.174
183 HG21 VAL 20 HG21 VAL 20 22.272 14.441 -7.552
184 HG22 VAL 20 HG22 VAL 20 23.618 14.869 -6.494
185 HG23 VAL 20 HG23 VAL 20 22.255 15.975 -6.676
186 H GLU 21 HN GLU 21 23.078 11.432 -3.358
187 HA GLU 21 HA GLU 21 20.452 10.297 -2.654
188 HB2 GLU 21 HB2 GLU 21 23.205 9.001 -2.420
189 HB3 GLU 21 HB1 GLU 21 21.690 8.280 -1.869
190 HG2 GLU 21 HG2 GLU 21 20.859 8.332 -4.203
191 HG3 GLU 21 HG1 GLU 21 22.419 8.958 -4.735
192 H TYR 22 HN TYR 22 20.035 9.872 -0.571
193 HA TYR 22 HA TYR 22 21.470 11.436 1.478
194 HB2 TYR 22 HB2 TYR 22 18.447 11.078 1.075
195 HB3 TYR 22 HB1 TYR 22 19.194 11.907 2.445
196 HD1 TYR 22 HD1 TYR 22 18.497 12.131 -1.198
197 HD2 TYR 22 HD2 TYR 22 20.184 14.120 2.183
198 HE1 TYR 22 HE1 TYR 22 18.667 14.207 -2.496
199 HE2 TYR 22 HE2 TYR 22 20.318 16.192 0.898
200 HH TYR 22 HH TYR 22 18.746 16.708 -1.967
201 H LEU 23 HN LEU 23 22.368 9.973 2.810
202 HA LEU 23 HA LEU 23 21.280 7.410 3.478
203 HB2 LEU 23 HB2 LEU 23 23.689 8.142 3.777
204 HB3 LEU 23 HB1 LEU 23 23.170 9.191 5.086
205 HG LEU 23 HG LEU 23 22.476 7.224 6.404
206 HD11 LEU 23 HD11 LEU 23 21.825 5.715 4.606
207 HD12 LEU 23 HD12 LEU 23 23.007 4.945 5.658
208 HD13 LEU 23 HD13 LEU 23 23.506 5.569 4.084
209 HD21 LEU 23 HD21 LEU 23 25.327 7.024 5.363
210 HD22 LEU 23 HD22 LEU 23 24.723 6.309 6.860
211 HD23 LEU 23 HD23 LEU 23 24.762 8.061 6.678
212 H VAL 24 HN VAL 24 19.265 7.356 4.370
213 HA VAL 24 HA VAL 24 18.287 9.686 5.831
214 HB VAL 24 HB VAL 24 16.632 7.295 4.938
215 HG11 VAL 24 HG11 VAL 24 14.735 8.884 5.062
216 HG12 VAL 24 HG12 VAL 24 15.827 10.157 5.611
217 HG13 VAL 24 HG13 VAL 24 15.552 8.735 6.621
218 HG21 VAL 24 HG21 VAL 24 16.026 8.557 2.917
219 HG22 VAL 24 HG22 VAL 24 17.755 8.205 2.960
220 HG23 VAL 24 HG23 VAL 24 17.176 9.826 3.350
221 H LYS 25 HN LYS 25 18.680 9.580 7.984
222 HA LYS 25 HA LYS 25 18.721 7.093 9.461
223 HB2 LYS 25 HB2 LYS 25 20.178 8.987 10.119
224 HB3 LYS 25 HB1 LYS 25 18.769 9.985 10.444
225 HG2 LYS 25 HG2 LYS 25 19.773 9.112 12.511
226 HG3 LYS 25 HG1 LYS 25 18.116 8.537 12.296
227 HD2 LYS 25 HD2 LYS 25 18.966 6.355 11.495
228 HD3 LYS 25 HD1 LYS 25 20.629 6.929 11.660
229 HE2 LYS 25 HE2 LYS 25 20.008 5.519 13.562
230 HE3 LYS 25 HE1 LYS 25 20.292 7.172 14.099
231 HZ1 LYS 25 HZ1 LYS 25 17.902 7.526 14.142
232 HZ2 LYS 25 HZ2 LYS 25 18.334 6.227 15.129
233 HZ3 LYS 25 HZ3 LYS 25 17.630 5.943 13.620
234 H TRP 26 HN TRP 26 16.957 6.105 10.222
235 HA TRP 26 HA TRP 26 14.341 7.411 9.993
236 HB2 TRP 26 HB2 TRP 26 15.039 4.478 10.460
237 HB3 TRP 26 HB1 TRP 26 13.438 5.121 10.095
238 HD1 TRP 26 HD1 TRP 26 16.573 3.886 8.409
239 HE1 TRP 26 HE1 TRP 26 16.350 4.126 5.854
240 HE3 TRP 26 HE3 TRP 26 12.366 6.807 8.208
241 HZ2 TRP 26 HZ2 TRP 26 14.640 5.375 4.002
242 HZ3 TRP 26 HZ3 TRP 26 11.504 7.480 6.001
243 HH2 TRP 26 HH2 TRP 26 12.619 6.780 3.937
244 H LYS 27 HN LYS 27 12.713 7.054 11.711
245 HA LYS 27 HA LYS 27 13.825 8.327 13.994
246 HB2 LYS 27 HB2 LYS 27 11.503 8.771 14.651
247 HB3 LYS 27 HB1 LYS 27 11.829 9.187 12.983
248 HG2 LYS 27 HG2 LYS 27 9.718 8.221 12.847
249 HG3 LYS 27 HG1 LYS 27 10.775 6.887 12.394
250 HD2 LYS 27 HD2 LYS 27 9.035 6.116 13.906
251 HD3 LYS 27 HD1 LYS 27 10.599 5.970 14.684
252 HE2 LYS 27 HE2 LYS 27 10.147 8.114 15.900
253 HE3 LYS 27 HE1 LYS 27 8.534 8.150 15.181
254 HZ1 LYS 27 HZ1 LYS 27 7.984 6.134 16.331
255 HZ2 LYS 27 HZ2 LYS 27 8.592 7.247 17.449
256 HZ3 LYS 27 HZ3 LYS 27 9.561 5.969 16.918
257 H GLY 28 HN GLY 28 13.313 5.029 13.523
258 HA2 GLY 28 HA2 GLY 28 13.748 4.526 16.393
259 HA3 GLY 28 HA1 GLY 28 12.320 3.798 15.663
260 H TRP 29 HN TRP 29 15.198 4.241 13.817
261 HA TRP 29 HA TRP 29 15.819 1.343 13.879
262 HB2 TRP 29 HB2 TRP 29 15.771 3.210 11.447
263 HB3 TRP 29 HB1 TRP 29 16.369 1.554 11.423
264 HD1 TRP 29 HD1 TRP 29 13.008 3.406 12.177
265 HE1 TRP 29 HE1 TRP 29 11.080 1.878 11.438
266 HE3 TRP 29 HE3 TRP 29 15.714 -0.671 10.658
267 HZ2 TRP 29 HZ2 TRP 29 10.731 -0.691 10.352
268 HZ3 TRP 29 HZ3 TRP 29 14.494 -2.615 9.764
269 HH2 TRP 29 HH2 TRP 29 12.052 -2.624 9.614
270 HA PRO 30 HA PRO 30 19.831 2.751 15.213
271 HB2 PRO 30 HB2 PRO 30 21.433 0.664 14.269
272 HB3 PRO 30 HB1 PRO 30 20.441 0.588 15.735
273 HG2 PRO 30 HG2 PRO 30 19.811 -0.397 12.960
274 HG3 PRO 30 HG1 PRO 30 19.571 -1.217 14.517
275 HD2 PRO 30 HD2 PRO 30 17.512 -0.039 13.272
276 HD3 PRO 30 HD1 PRO 30 17.666 0.064 15.043
277 HA PRO 31 HA PRO 31 21.909 5.132 12.020
278 HB2 PRO 31 HB2 PRO 31 24.521 4.113 13.152
279 HB3 PRO 31 HB1 PRO 31 24.020 5.776 12.791
280 HG2 PRO 31 HG2 PRO 31 24.012 4.934 15.304
281 HG3 PRO 31 HG1 PRO 31 22.657 5.917 14.704
282 HD2 PRO 31 HD2 PRO 31 22.781 2.935 15.163
283 HD3 PRO 31 HD1 PRO 31 21.463 4.077 15.519
284 H LYS 32 HN LYS 32 23.020 1.779 12.412
285 HA LYS 32 HA LYS 32 24.207 1.650 9.777
286 HB2 LYS 32 HB2 LYS 32 24.502 -0.781 10.268
287 HB3 LYS 32 HB1 LYS 32 25.199 0.288 11.479
288 HG2 LYS 32 HG2 LYS 32 23.312 -0.146 12.983
289 HG3 LYS 32 HG1 LYS 32 22.559 -1.182 11.772
290 HD2 LYS 32 HD2 LYS 32 25.303 -1.736 12.978
291 HD3 LYS 32 HD1 LYS 32 23.805 -2.377 13.646
292 HE2 LYS 32 HE2 LYS 32 24.763 -4.106 12.303
293 HE3 LYS 32 HE1 LYS 32 23.377 -3.481 11.413
294 HZ1 LYS 32 HZ1 LYS 32 24.861 -2.266 9.977
295 HZ2 LYS 32 HZ2 LYS 32 25.318 -3.890 10.009
296 HZ3 LYS 32 HZ3 LYS 32 26.209 -2.745 10.880
297 H TYR 33 HN TYR 33 21.000 1.353 10.918
298 HA TYR 33 HA TYR 33 20.076 -0.092 8.512
299 HB2 TYR 33 HB2 TYR 33 18.779 0.501 11.187
300 HB3 TYR 33 HB1 TYR 33 17.787 0.079 9.797
301 HD1 TYR 33 HD2 TYR 33 21.121 -1.373 10.733
302 HD2 TYR 33 HD1 TYR 33 16.914 -2.055 10.434
303 HE1 TYR 33 HE2 TYR 33 21.477 -3.752 11.205
304 HE2 TYR 33 HE1 TYR 33 17.272 -4.444 10.912
305 HH TYR 33 HH TYR 33 19.113 -6.118 10.695
306 H SER 34 HN SER 34 20.964 2.899 8.864
307 HA SER 34 HA SER 34 18.680 4.318 7.745
308 HB2 SER 34 HB2 SER 34 20.323 6.194 7.479
309 HB3 SER 34 HB1 SER 34 20.309 5.551 9.122
310 HG SER 34 HG SER 34 22.374 5.357 8.833
311 H THR 35 HN THR 35 18.448 4.903 5.490
312 HA THR 35 HA THR 35 19.819 2.997 3.654
313 HB THR 35 HB THR 35 17.721 3.157 2.257
314 HG1 THR 35 HG1 THR 35 16.787 5.052 2.849
315 HG21 THR 35 HG21 THR 35 16.282 1.787 3.714
316 HG22 THR 35 HG22 THR 35 17.213 2.286 5.129
317 HG23 THR 35 HG23 THR 35 17.972 1.295 3.879
318 H TRP 36 HN TRP 36 21.027 3.814 1.988
319 HA TRP 36 HA TRP 36 21.068 6.596 1.248
320 HB2 TRP 36 HB2 TRP 36 22.274 4.132 -0.109
321 HB3 TRP 36 HB1 TRP 36 22.473 5.764 -0.736
322 HD1 TRP 36 HD1 TRP 36 23.937 3.376 1.777
323 HE1 TRP 36 HE1 TRP 36 25.865 4.534 3.026
324 HE3 TRP 36 HE3 TRP 36 23.152 8.197 0.221
325 HZ2 TRP 36 HZ2 TRP 36 26.912 7.131 3.325
326 HZ3 TRP 36 HZ3 TRP 36 24.660 9.966 1.050
327 HH2 TRP 36 HH2 TRP 36 26.503 9.437 2.572
328 H GLU 37 HN GLU 37 19.118 7.263 0.575
329 HA GLU 37 HA GLU 37 17.940 6.106 -1.877
330 HB2 GLU 37 HB2 GLU 37 16.631 7.097 0.676
331 HB3 GLU 37 HB1 GLU 37 15.750 7.174 -0.844
332 HG2 GLU 37 HG2 GLU 37 16.869 4.655 0.419
333 HG3 GLU 37 HG1 GLU 37 15.179 5.167 0.456
334 HA PRO 38 HA PRO 38 18.960 10.160 -3.515
335 HB2 PRO 38 HB2 PRO 38 17.666 10.062 -5.906
336 HB3 PRO 38 HB1 PRO 38 19.079 9.055 -5.560
337 HG2 PRO 38 HG2 PRO 38 16.152 8.324 -5.356
338 HG3 PRO 38 HG1 PRO 38 17.456 7.436 -6.175
339 HD2 PRO 38 HD2 PRO 38 16.635 6.742 -3.698
340 HD3 PRO 38 HD1 PRO 38 18.352 6.628 -4.161
341 H GLU 39 HN GLU 39 17.901 12.112 -4.477
342 HA GLU 39 HA GLU 39 16.167 13.309 -2.684
343 HB2 GLU 39 HB2 GLU 39 16.077 15.176 -4.320
344 HB3 GLU 39 HB1 GLU 39 17.703 14.542 -4.099
345 HG2 GLU 39 HG2 GLU 39 17.318 13.166 -6.215
346 HG3 GLU 39 HG1 GLU 39 15.858 14.120 -6.461
347 H GLU 40 HN GLU 40 15.261 11.265 -5.280
348 HA GLU 40 HA GLU 40 12.708 12.253 -5.949
349 HB2 GLU 40 HB2 GLU 40 13.774 9.411 -6.130
350 HB3 GLU 40 HB1 GLU 40 12.369 10.039 -6.994
351 HG2 GLU 40 HG2 GLU 40 15.270 10.873 -7.374
352 HG3 GLU 40 HG1 GLU 40 14.304 9.899 -8.480
353 H HIS 41 HN HIS 41 13.755 9.928 -3.435
354 HA HIS 41 HA HIS 41 11.122 9.038 -2.735
355 HB2 HIS 41 HB2 HIS 41 12.140 7.657 -1.145
356 HB3 HIS 41 HB1 HIS 41 13.462 7.890 -2.276
357 HD1 HIS 41 HD1 HIS 41 15.443 9.406 -1.438
358 HD2 HIS 41 HD2 HIS 41 12.573 8.631 1.410
359 HE1 HIS 41 HE1 HIS 41 16.395 10.298 0.692
360 HE2 HIS 41 HE2 HIS 41 14.617 9.835 2.413
361 H ILE 42 HN ILE 42 12.871 11.872 -1.967
362 HA ILE 42 HA ILE 42 11.966 12.447 0.676
363 HB ILE 42 HB ILE 42 13.117 14.235 -1.521
364 HG12 ILE 42 HG12 ILE 42 14.644 12.426 -0.634
365 HG13 ILE 42 HG11 ILE 42 15.254 14.055 -0.377
366 HG21 ILE 42 HG21 ILE 42 12.677 14.946 1.399
367 HG22 ILE 42 HG22 ILE 42 11.853 15.650 0.006
368 HG23 ILE 42 HG23 ILE 42 13.581 15.919 0.234
369 HD11 ILE 42 HD11 ILE 42 14.572 13.952 1.967
370 HD12 ILE 42 HD12 ILE 42 15.653 12.624 1.547
371 HD13 ILE 42 HD13 ILE 42 13.923 12.330 1.714
372 H LEU 43 HN LEU 43 9.887 12.956 1.237
373 HA LEU 43 HA LEU 43 8.011 13.977 -0.810
374 HB2 LEU 43 HB2 LEU 43 7.308 12.884 1.940
375 HB3 LEU 43 HB1 LEU 43 6.215 13.168 0.591
376 HG LEU 43 HG LEU 43 8.305 10.963 0.856
377 HD11 LEU 43 HD11 LEU 43 5.286 10.807 0.582
378 HD12 LEU 43 HD12 LEU 43 6.220 10.526 2.054
379 HD13 LEU 43 HD13 LEU 43 6.393 9.434 0.683
380 HD21 LEU 43 HD21 LEU 43 8.373 11.740 -1.438
381 HD22 LEU 43 HD22 LEU 43 6.620 11.610 -1.578
382 HD23 LEU 43 HD23 LEU 43 7.600 10.159 -1.358
383 H ASP 44 HN ASP 44 10.033 15.435 1.203
384 HA ASP 44 HA ASP 44 8.347 17.785 1.618
385 HB2 ASP 44 HB2 ASP 44 8.057 16.507 3.730
386 HB3 ASP 44 HB1 ASP 44 9.805 16.416 3.930
387 HA PRO 45 HA PRO 45 12.366 19.315 0.014
388 HB2 PRO 45 HB2 PRO 45 11.760 21.997 0.021
389 HB3 PRO 45 HB1 PRO 45 11.145 20.880 -1.205
390 HG2 PRO 45 HG2 PRO 45 9.787 21.832 1.332
391 HG3 PRO 45 HG1 PRO 45 9.145 21.811 -0.331
392 HD2 PRO 45 HD2 PRO 45 8.492 19.864 1.375
393 HD3 PRO 45 HD1 PRO 45 8.857 19.458 -0.320
394 H ARG 46 HN ARG 46 10.833 20.667 2.859
395 HA ARG 46 HA ARG 46 13.006 22.051 3.985
396 HB2 ARG 46 HB2 ARG 46 10.881 22.752 4.660
397 HB3 ARG 46 HB1 ARG 46 10.260 21.112 4.795
398 HG2 ARG 46 HG2 ARG 46 11.644 20.850 6.865
399 HG3 ARG 46 HG1 ARG 46 12.010 22.577 6.768
400 HD2 ARG 46 HD2 ARG 46 10.084 22.053 8.303
401 HD3 ARG 46 HD1 ARG 46 9.640 23.133 6.977
402 HE ARG 46 HE ARG 46 9.130 20.505 6.143
403 HH11 ARG 46 HH11 ARG 46 7.901 22.661 8.640
404 HH12 ARG 46 HH12 ARG 46 6.282 22.053 8.519
405 HH21 ARG 46 HH21 ARG 46 7.045 19.737 5.980
406 HH22 ARG 46 HH22 ARG 46 5.790 20.372 6.999
407 H LEU 47 HN LEU 47 12.107 18.669 4.009
408 HA LEU 47 HA LEU 47 13.505 17.693 6.239
409 HB2 LEU 47 HB2 LEU 47 11.931 16.313 5.047
410 HB3 LEU 47 HB1 LEU 47 12.823 16.460 3.549
411 HG LEU 47 HG LEU 47 14.553 14.955 4.329
412 HD11 LEU 47 HD11 LEU 47 13.151 14.952 7.012
413 HD12 LEU 47 HD12 LEU 47 14.759 15.591 6.650
414 HD13 LEU 47 HD13 LEU 47 14.457 13.859 6.540
415 HD21 LEU 47 HD21 LEU 47 13.250 12.877 4.634
416 HD22 LEU 47 HD22 LEU 47 12.544 13.898 3.383
417 HD23 LEU 47 HD23 LEU 47 11.802 13.828 4.986
418 H VAL 48 HN VAL 48 14.641 17.991 2.859
419 HA VAL 48 HA VAL 48 17.369 17.254 3.382
420 HB VAL 48 HB VAL 48 16.012 18.625 1.016
421 HG11 VAL 48 HG11 VAL 48 18.909 17.715 1.184
422 HG12 VAL 48 HG12 VAL 48 18.338 19.375 0.994
423 HG13 VAL 48 HG13 VAL 48 18.086 18.201 -0.300
424 HG21 VAL 48 HG21 VAL 48 15.378 16.262 1.369
425 HG22 VAL 48 HG22 VAL 48 17.080 15.790 1.332
426 HG23 VAL 48 HG23 VAL 48 16.316 16.449 -0.117
427 H MET 49 HN MET 49 15.632 20.294 3.104
428 HA MET 49 HA MET 49 17.972 21.946 2.969
429 HB2 MET 49 HB2 MET 49 15.007 22.575 3.192
430 HB3 MET 49 HB1 MET 49 16.260 23.825 3.061
431 HG2 MET 49 HG2 MET 49 15.497 21.719 1.023
432 HG3 MET 49 HG1 MET 49 15.358 23.470 0.875
433 HE1 MET 49 HE1 MET 49 18.263 24.431 2.012
434 HE2 MET 49 HE2 MET 49 17.495 25.100 0.570
435 HE3 MET 49 HE3 MET 49 19.158 24.515 0.495
436 H ALA 50 HN ALA 50 15.936 20.839 5.599
437 HA ALA 50 HA ALA 50 16.957 22.700 7.577
438 HB1 ALA 50 HB1 ALA 50 15.499 20.072 8.013
439 HB2 ALA 50 HB2 ALA 50 14.741 21.660 7.883
440 HB3 ALA 50 HB3 ALA 50 15.808 21.304 9.243
441 H TYR 51 HN TYR 51 17.843 19.496 6.402
442 HA TYR 51 HA TYR 51 19.818 18.761 8.270
443 HB2 TYR 51 HB2 TYR 51 19.156 17.114 6.673
444 HB3 TYR 51 HB1 TYR 51 19.434 18.190 5.314
445 HD1 TYR 51 HD1 TYR 51 21.353 16.466 8.068
446 HD2 TYR 51 HD2 TYR 51 21.398 17.889 4.040
447 HE1 TYR 51 HE1 TYR 51 23.564 15.446 7.728
448 HE2 TYR 51 HE2 TYR 51 23.607 16.873 3.700
449 HH TYR 51 HH TYR 51 25.546 16.153 5.049
450 H GLU 52 HN GLU 52 20.029 20.721 5.318
451 HA GLU 52 HA GLU 52 22.800 21.479 5.729
452 HB2 GLU 52 HB2 GLU 52 20.728 22.481 3.724
453 HB3 GLU 52 HB1 GLU 52 22.463 22.805 3.659
454 HG2 GLU 52 HG2 GLU 52 22.910 20.406 3.372
455 HG3 GLU 52 HG1 GLU 52 21.184 20.056 3.461
456 H GLU 53 HN GLU 53 19.736 22.660 6.715
457 HA GLU 53 HA GLU 53 19.078 24.229 8.182
458 HB2 GLU 53 HB2 GLU 53 22.059 24.683 8.602
459 HB3 GLU 53 HB1 GLU 53 20.802 25.427 9.588
460 HG2 GLU 53 HG2 GLU 53 20.078 23.263 10.406
461 HG3 GLU 53 HG1 GLU 53 21.167 22.428 9.302
462 H LYS 54 HN LYS 54 20.219 24.961 5.262
463 HA LYS 54 HA LYS 54 20.264 27.860 5.411
464 HB2 LYS 54 HB2 LYS 54 21.580 26.539 3.682
465 HB3 LYS 54 HB1 LYS 54 20.055 26.093 2.924
466 HG2 LYS 54 HG2 LYS 54 19.594 28.473 2.449
467 HG3 LYS 54 HG1 LYS 54 21.102 28.927 3.244
468 HD2 LYS 54 HD2 LYS 54 21.434 28.953 0.836
469 HD3 LYS 54 HD1 LYS 54 22.374 27.631 1.529
470 HE2 LYS 54 HE2 LYS 54 20.575 26.041 0.849
471 HE3 LYS 54 HE1 LYS 54 19.700 27.379 0.099
472 HZ1 LYS 54 HZ1 LYS 54 20.932 26.197 -1.546
473 HZ2 LYS 54 HZ2 LYS 54 22.371 26.345 -0.672
474 HZ3 LYS 54 HZ3 LYS 54 21.649 27.715 -1.346
475 H GLU 55 HN GLU 55 18.670 29.197 4.377
476 HA GLU 55 HA GLU 55 16.618 30.018 3.912
477 HB2 GLU 55 HB2 GLU 55 15.583 27.157 3.894
478 HB3 GLU 55 HB1 GLU 55 14.613 28.575 3.502
479 HG2 GLU 55 HG2 GLU 55 16.122 29.031 1.582
480 HG3 GLU 55 HG1 GLU 55 17.012 27.553 1.946
481 H GLU 56 HN GLU 56 17.294 28.118 6.657
482 HA GLU 56 HA GLU 56 15.008 29.207 8.182
483 HB2 GLU 56 HB2 GLU 56 15.689 26.693 8.276
484 HB3 GLU 56 HB1 GLU 56 17.084 27.212 9.208
485 HG2 GLU 56 HG2 GLU 56 14.194 27.693 10.008
486 HG3 GLU 56 HG1 GLU 56 15.164 26.333 10.564
487 H1 ALA 1 HT1 ALA 1 13.095 18.603 15.453
488 H2 ALA 1 HT2 ALA 1 12.668 20.208 15.766
489 H3 ALA 1 HT3 ALA 1 12.209 19.476 14.312
490 HA ALA 1 HA ALA 1 11.288 18.650 16.999
491 HB1 ALA 1 HB1 ALA 1 9.782 20.159 14.823
492 HB2 ALA 1 HB2 ALA 1 10.361 20.853 16.339
493 HB3 ALA 1 HB3 ALA 1 9.103 19.616 16.362
494 H ARG 2 HN ARG 2 9.282 17.212 16.748
495 HA ARG 2 HA ARG 2 9.714 15.140 14.734
496 HB2 ARG 2 HB2 ARG 2 7.509 15.339 16.841
497 HB3 ARG 2 HB1 ARG 2 7.870 13.925 15.851
498 HG2 ARG 2 HG2 ARG 2 10.086 13.737 16.966
499 HG3 ARG 2 HG1 ARG 2 9.681 15.134 17.971
500 HD2 ARG 2 HD2 ARG 2 7.669 13.816 18.813
501 HD3 ARG 2 HD1 ARG 2 8.320 12.413 17.964
502 HE ARG 2 HE ARG 2 10.310 12.593 19.413
503 HH11 ARG 2 HH11 ARG 2 7.352 14.164 20.545
504 HH12 ARG 2 HH12 ARG 2 7.807 14.069 22.215
505 HH21 ARG 2 HH21 ARG 2 10.868 12.484 21.618
506 HH22 ARG 2 HH22 ARG 2 9.788 13.117 22.818
507 H THR 3 HN THR 3 9.362 16.744 13.020
508 HA THR 3 HA THR 3 6.606 17.555 12.413
509 HB THR 3 HB THR 3 9.180 18.048 10.814
510 HG1 THR 3 HG1 THR 3 7.909 19.704 12.773
511 HG21 THR 3 HG21 THR 3 7.929 19.943 9.812
512 HG22 THR 3 HG22 THR 3 6.495 19.495 10.739
513 HG23 THR 3 HG23 THR 3 7.112 18.412 9.490
514 H LYS 4 HN LYS 4 5.475 16.744 10.553
515 HA LYS 4 HA LYS 4 6.102 14.102 9.663
516 HB2 LYS 4 HB2 LYS 4 3.979 16.112 8.861
517 HB3 LYS 4 HB1 LYS 4 4.185 14.626 7.941
518 HG2 LYS 4 HG2 LYS 4 3.544 14.779 10.912
519 HG3 LYS 4 HG1 LYS 4 2.386 14.434 9.619
520 HD2 LYS 4 HD2 LYS 4 3.671 12.383 9.032
521 HD3 LYS 4 HD1 LYS 4 4.808 12.724 10.341
522 HE2 LYS 4 HE2 LYS 4 1.841 12.162 10.700
523 HE3 LYS 4 HE1 LYS 4 3.137 10.993 10.954
524 HZ1 LYS 4 HZ1 LYS 4 4.004 12.383 12.725
525 HZ2 LYS 4 HZ2 LYS 4 2.389 11.986 13.035
526 HZ3 LYS 4 HZ3 LYS 4 2.791 13.527 12.467
527 H GLN 5 HN GLN 5 8.237 14.406 8.946
528 HA GLN 5 HA GLN 5 8.521 15.395 6.173
529 HB2 GLN 5 HB2 GLN 5 10.642 14.755 8.284
530 HB3 GLN 5 HB1 GLN 5 10.988 15.255 6.628
531 HG2 GLN 5 HG2 GLN 5 9.886 17.416 7.054
532 HG3 GLN 5 HG1 GLN 5 9.535 16.921 8.709
533 HE21 GLN 5 HE21 GLN 5 11.137 19.169 7.593
534 HE22 GLN 5 HE22 GLN 5 12.684 19.046 8.354
535 H THR 6 HN THR 6 7.353 13.597 5.414
536 HA THR 6 HA THR 6 8.093 10.895 6.012
537 HB THR 6 HB THR 6 6.369 10.358 4.200
538 HG1 THR 6 HG1 THR 6 5.292 12.008 3.260
539 HG21 THR 6 HG21 THR 6 5.735 10.407 6.591
540 HG22 THR 6 HG22 THR 6 4.434 11.042 5.583
541 HG23 THR 6 HG23 THR 6 5.466 12.150 6.490
542 H ALA 7 HN ALA 7 8.916 9.351 4.596
543 HA ALA 7 HA ALA 7 10.375 10.208 2.207
544 HB1 ALA 7 HB1 ALA 7 12.532 9.398 3.143
545 HB2 ALA 7 HB2 ALA 7 11.753 9.135 4.701
546 HB3 ALA 7 HB3 ALA 7 11.895 10.768 4.048
547 H ARG 8 HN ARG 8 10.429 8.551 0.736
548 HA ARG 8 HA ARG 8 9.236 5.969 1.386
549 HB2 ARG 8 HB2 ARG 8 10.358 6.913 -1.293
550 HB3 ARG 8 HB1 ARG 8 9.285 5.537 -1.022
551 HG2 ARG 8 HG2 ARG 8 7.508 7.144 -0.298
552 HG3 ARG 8 HG1 ARG 8 8.591 8.480 -0.693
553 HD2 ARG 8 HD2 ARG 8 7.503 6.401 -2.633
554 HD3 ARG 8 HD1 ARG 8 6.968 8.081 -2.490
555 HE ARG 8 HE ARG 8 9.774 7.491 -3.197
556 HH11 ARG 8 HH11 ARG 8 6.687 8.894 -4.104
557 HH12 ARG 8 HH12 ARG 8 7.294 9.582 -5.574
558 HH21 ARG 8 HH21 ARG 8 10.561 8.392 -5.142
559 HH22 ARG 8 HH22 ARG 8 9.497 9.306 -6.159
560 H M3L 9 HN M3L 9 10.259 3.959 0.488
561 HA M3L 9 HA M3L 9 13.234 3.972 0.423
562 HB2 M3L 9 HB2 M3L 9 11.501 1.686 1.485
563 HB3 M3L 9 HB1 M3L 9 13.265 1.775 1.483
564 HG2 M3L 9 HG2 M3L 9 13.112 3.712 3.067
565 HG3 M3L 9 HG1 M3L 9 11.358 3.473 3.126
566 HD2 M3L 9 HD2 M3L 9 11.764 1.138 3.970
567 HD3 M3L 9 HD1 M3L 9 13.497 1.488 4.004
568 HE2 M3L 9 HE2 M3L 9 12.975 3.398 5.584
569 HE3 M3L 9 HE1 M3L 9 11.310 2.820 5.638
570 HM11 M3L 9 HH33 M3L 9 11.489 2.544 8.106
571 HM12 M3L 9 HH31 M3L 9 13.137 3.166 8.013
572 HM13 M3L 9 HH32 M3L 9 12.820 1.624 8.802
573 HM21 M3L 9 HH11 M3L 9 10.791 0.592 6.721
574 HM22 M3L 9 HH12 M3L 9 12.091 -0.369 7.428
575 HM23 M3L 9 HH13 M3L 9 11.957 -0.220 5.673
576 HM31 M3L 9 HH21 M3L 9 14.463 0.465 7.354
577 HM32 M3L 9 HH22 M3L 9 14.838 1.999 6.558
578 HM33 M3L 9 HH23 M3L 9 14.354 0.599 5.594
579 H SER 10 HN SER 10 10.264 2.287 -0.475
580 HA SER 10 HA SER 10 11.018 1.934 -3.224
581 HB2 SER 10 HB2 SER 10 10.898 -0.565 -3.190
582 HB3 SER 10 HB1 SER 10 12.249 0.027 -2.220
583 HG SER 10 HG SER 10 11.201 -0.509 -0.394
584 H THR 11 HN THR 11 9.201 0.223 -4.143
585 HA THR 11 HA THR 11 6.626 0.410 -2.795
586 HB THR 11 HB THR 11 6.689 2.507 -4.128
587 HG1 THR 11 HG1 THR 11 4.635 2.224 -4.505
588 HG21 THR 11 HG21 THR 11 6.664 2.463 -6.586
589 HG22 THR 11 HG22 THR 11 6.946 0.722 -6.576
590 HG23 THR 11 HG23 THR 11 8.186 1.822 -5.962
591 H GLY 12 HN GLY 12 5.024 -1.021 -3.786
592 HA2 GLY 12 HA2 GLY 12 4.337 -2.674 -5.344
593 HA3 GLY 12 HA1 GLY 12 6.007 -2.957 -5.794
594 H GLY 13 HN GLY 13 7.347 -3.601 -3.633
595 HA2 GLY 13 HA2 GLY 13 7.877 -5.351 -2.246
596 HA3 GLY 13 HA1 GLY 13 6.221 -5.246 -1.660
597 H LYS 14 HN LYS 14 7.311 -6.023 -4.921
598 HA LYS 14 HA LYS 14 5.514 -8.316 -5.021
599 HB2 LYS 14 HB2 LYS 14 5.494 -6.582 -6.811
600 HB3 LYS 14 HB1 LYS 14 7.168 -6.951 -7.196
601 HG2 LYS 14 HG2 LYS 14 5.669 -7.948 -8.832
602 HG3 LYS 14 HG1 LYS 14 6.519 -9.211 -7.930
603 HD2 LYS 14 HD2 LYS 14 4.497 -9.544 -6.515
604 HD3 LYS 14 HD1 LYS 14 3.658 -8.279 -7.422
605 HE2 LYS 14 HE2 LYS 14 2.977 -10.504 -8.203
606 HE3 LYS 14 HE1 LYS 14 3.842 -9.650 -9.483
607 HZ1 LYS 14 HZ1 LYS 14 4.978 -11.747 -7.702
608 HZ2 LYS 14 HZ2 LYS 14 5.844 -10.906 -8.890
609 HZ3 LYS 14 HZ3 LYS 14 4.577 -11.930 -9.339
610 H ALA 15 HN ALA 15 6.138 -10.402 -5.074
611 HA ALA 15 HA ALA 15 8.773 -11.211 -6.036
612 HB1 ALA 15 HB1 ALA 15 9.145 -10.956 -3.603
613 HB2 ALA 15 HB2 ALA 15 9.237 -12.651 -4.076
614 HB3 ALA 15 HB3 ALA 15 7.787 -12.048 -3.271
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 4.968 -0.639 -4.754
2 H2 GLY 1 HT2 GLY 1 5.110 0.674 -3.701
3 H3 GLY 1 HT3 GLY 1 5.710 -0.843 -3.252
4 HA2 GLY 1 HA1 GLY 1 7.356 -0.759 -4.987
5 HA3 GLY 1 HA2 GLY 1 6.719 0.799 -5.499
6 H GLU 2 HN GLU 2 7.108 2.613 -4.226
7 HA GLU 2 HA GLU 2 9.397 2.453 -2.386
8 HB2 GLU 2 HB2 GLU 2 8.126 4.797 -3.872
9 HB3 GLU 2 HB1 GLU 2 9.567 4.902 -2.858
10 HG2 GLU 2 HG2 GLU 2 10.844 3.541 -4.380
11 HG3 GLU 2 HG1 GLU 2 9.404 3.116 -5.310
12 H GLN 3 HN GLN 3 8.569 2.005 -0.366
13 HA GLN 3 HA GLN 3 6.065 3.120 0.596
14 HB2 GLN 3 HB2 GLN 3 8.089 1.207 1.809
15 HB3 GLN 3 HB1 GLN 3 6.745 1.822 2.752
16 HG2 GLN 3 HG2 GLN 3 6.298 -0.422 1.901
17 HG3 GLN 3 HG1 GLN 3 5.157 0.750 1.234
18 HE21 GLN 3 HE21 GLN 3 8.010 -1.204 0.504
19 HE22 GLN 3 HE22 GLN 3 7.769 -1.233 -1.207
20 H VAL 4 HN VAL 4 5.773 4.685 2.126
21 HA VAL 4 HA VAL 4 8.012 6.458 2.757
22 HB VAL 4 HB VAL 4 6.300 7.995 3.689
23 HG11 VAL 4 HG11 VAL 4 6.801 8.122 1.302
24 HG12 VAL 4 HG12 VAL 4 5.101 8.494 1.581
25 HG13 VAL 4 HG13 VAL 4 5.563 6.912 0.944
26 HG21 VAL 4 HG21 VAL 4 4.690 6.376 4.624
27 HG22 VAL 4 HG22 VAL 4 4.247 5.843 3.002
28 HG23 VAL 4 HG23 VAL 4 3.864 7.486 3.525
29 H PHE 5 HN PHE 5 8.893 6.781 4.750
30 HA PHE 5 HA PHE 5 7.780 5.387 7.125
31 HB2 PHE 5 HB2 PHE 5 10.704 5.438 6.212
32 HB3 PHE 5 HB1 PHE 5 10.218 4.981 7.837
33 HD1 PHE 5 HD1 PHE 5 9.770 4.029 4.244
34 HD2 PHE 5 HD2 PHE 5 9.651 2.726 8.312
35 HE1 PHE 5 HE1 PHE 5 9.470 1.707 3.495
36 HE2 PHE 5 HE2 PHE 5 9.350 0.405 7.551
37 HZ PHE 5 HZ PHE 5 9.252 -0.101 5.146
38 H ALA 6 HN ALA 6 8.388 6.354 9.146
39 HA ALA 6 HA ALA 6 8.540 9.238 9.142
40 HB1 ALA 6 HB1 ALA 6 8.341 9.036 11.593
41 HB2 ALA 6 HB2 ALA 6 8.547 7.285 11.475
42 HB3 ALA 6 HB3 ALA 6 7.120 8.056 10.779
43 H VAL 7 HN VAL 7 10.459 10.155 8.732
44 HA VAL 7 HA VAL 7 12.963 8.811 9.424
45 HB VAL 7 HB VAL 7 14.059 10.204 7.884
46 HG11 VAL 7 HG11 VAL 7 12.768 10.136 5.794
47 HG12 VAL 7 HG12 VAL 7 11.268 9.911 6.700
48 HG13 VAL 7 HG13 VAL 7 12.515 8.666 6.730
49 HG21 VAL 7 HG21 VAL 7 11.750 12.168 7.984
50 HG22 VAL 7 HG22 VAL 7 13.160 12.307 6.932
51 HG23 VAL 7 HG23 VAL 7 13.355 12.389 8.680
52 H GLU 8 HN GLU 8 14.634 9.888 10.603
53 HA GLU 8 HA GLU 8 13.702 11.696 12.718
54 HB2 GLU 8 HB2 GLU 8 15.016 9.596 13.212
55 HB3 GLU 8 HB1 GLU 8 16.405 10.318 12.416
56 HG2 GLU 8 HG2 GLU 8 16.433 12.117 14.081
57 HG3 GLU 8 HG1 GLU 8 15.000 11.439 14.856
58 H SER 9 HN SER 9 16.428 11.407 10.443
59 HA SER 9 HA SER 9 16.361 14.165 9.619
60 HB2 SER 9 HB2 SER 9 18.759 13.165 11.242
61 HB3 SER 9 HB1 SER 9 18.767 14.653 10.291
62 HG SER 9 HG SER 9 16.678 14.899 11.803
63 H ILE 10 HN ILE 10 17.986 14.561 7.853
64 HA ILE 10 HA ILE 10 18.896 12.243 6.365
65 HB ILE 10 HB ILE 10 19.791 15.157 6.098
66 HG12 ILE 10 HG12 ILE 10 17.327 14.934 5.740
67 HG13 ILE 10 HG11 ILE 10 18.179 15.441 4.287
68 HG21 ILE 10 HG21 ILE 10 20.084 12.847 4.141
69 HG22 ILE 10 HG22 ILE 10 21.378 13.614 5.066
70 HG23 ILE 10 HG23 ILE 10 20.528 14.525 3.816
71 HD11 ILE 10 HD11 ILE 10 17.173 12.657 4.864
72 HD12 ILE 10 HD12 ILE 10 18.010 13.174 3.395
73 HD13 ILE 10 HD13 ILE 10 16.432 13.846 3.795
74 H ARG 11 HN ARG 11 20.570 11.049 7.184
75 HA ARG 11 HA ARG 11 22.390 11.969 9.188
76 HB2 ARG 11 HB2 ARG 11 21.547 9.530 8.659
77 HB3 ARG 11 HB1 ARG 11 22.835 9.492 7.472
78 HG2 ARG 11 HG2 ARG 11 23.151 9.810 10.485
79 HG3 ARG 11 HG1 ARG 11 23.500 8.361 9.544
80 HD2 ARG 11 HD2 ARG 11 25.306 9.610 8.366
81 HD3 ARG 11 HD1 ARG 11 24.971 11.014 9.384
82 HE ARG 11 HE ARG 11 25.794 8.430 10.567
83 HH11 ARG 11 HH11 ARG 11 26.317 11.893 10.200
84 HH12 ARG 11 HH12 ARG 11 27.668 11.908 11.283
85 HH21 ARG 11 HH21 ARG 11 27.591 8.475 11.926
86 HH22 ARG 11 HH22 ARG 11 28.398 9.974 12.247
87 H LYS 12 HN LYS 12 22.881 11.017 5.746
88 HA LYS 12 HA LYS 12 25.010 13.026 5.415
89 HB2 LYS 12 HB2 LYS 12 25.311 10.046 4.860
90 HB3 LYS 12 HB1 LYS 12 26.349 11.247 4.099
91 HG2 LYS 12 HG2 LYS 12 27.164 11.956 6.321
92 HG3 LYS 12 HG1 LYS 12 26.107 10.771 7.086
93 HD2 LYS 12 HD2 LYS 12 28.429 9.943 6.962
94 HD3 LYS 12 HD1 LYS 12 27.342 8.929 6.008
95 HE2 LYS 12 HE2 LYS 12 29.478 9.350 4.834
96 HE3 LYS 12 HE1 LYS 12 28.115 10.014 3.939
97 HZ1 LYS 12 HZ1 LYS 12 29.980 11.527 3.969
98 HZ2 LYS 12 HZ2 LYS 12 29.981 11.563 5.658
99 HZ3 LYS 12 HZ3 LYS 12 28.674 12.202 4.803
100 H LYS 13 HN LYS 13 25.731 12.976 3.000
101 HA LYS 13 HA LYS 13 23.580 12.681 1.066
102 HB2 LYS 13 HB2 LYS 13 22.918 14.769 2.211
103 HB3 LYS 13 HB1 LYS 13 24.549 15.413 2.052
104 HG2 LYS 13 HG2 LYS 13 24.219 15.416 -0.456
105 HG3 LYS 13 HG1 LYS 13 22.534 14.951 -0.179
106 HD2 LYS 13 HD2 LYS 13 22.148 17.035 1.088
107 HD3 LYS 13 HD1 LYS 13 23.847 17.487 0.904
108 HE2 LYS 13 HE2 LYS 13 23.491 17.528 -1.589
109 HE3 LYS 13 HE1 LYS 13 21.773 17.240 -1.305
110 HZ1 LYS 13 HZ1 LYS 13 21.717 19.308 -0.021
111 HZ2 LYS 13 HZ2 LYS 13 22.187 19.566 -1.625
112 HZ3 LYS 13 HZ3 LYS 13 23.342 19.588 -0.392
113 H ARG 14 HN ARG 14 24.497 12.390 -0.921
114 HA ARG 14 HA ARG 14 26.972 13.614 -1.775
115 HB2 ARG 14 HB2 ARG 14 28.258 11.564 -2.135
116 HB3 ARG 14 HB1 ARG 14 27.822 11.679 -0.432
117 HG2 ARG 14 HG2 ARG 14 25.909 10.092 -0.895
118 HG3 ARG 14 HG1 ARG 14 26.557 9.882 -2.526
119 HD2 ARG 14 HD2 ARG 14 27.979 9.219 0.079
120 HD3 ARG 14 HD1 ARG 14 27.266 8.058 -1.050
121 HE ARG 14 HE ARG 14 29.242 9.737 -2.275
122 HH11 ARG 14 HH11 ARG 14 28.866 6.795 -0.390
123 HH12 ARG 14 HH12 ARG 14 30.394 6.154 -0.898
124 HH21 ARG 14 HH21 ARG 14 31.191 8.869 -2.951
125 HH22 ARG 14 HH22 ARG 14 31.717 7.335 -2.332
126 H VAL 15 HN VAL 15 27.582 12.488 -4.051
127 HA VAL 15 HA VAL 15 25.115 11.747 -5.514
128 HB VAL 15 HB VAL 15 25.606 14.123 -5.988
129 HG11 VAL 15 HG11 VAL 15 28.285 13.191 -7.075
130 HG12 VAL 15 HG12 VAL 15 28.032 14.139 -5.608
131 HG13 VAL 15 HG13 VAL 15 27.642 14.833 -7.183
132 HG21 VAL 15 HG21 VAL 15 24.540 12.771 -7.751
133 HG22 VAL 15 HG22 VAL 15 26.123 12.331 -8.396
134 HG23 VAL 15 HG23 VAL 15 25.578 14.009 -8.464
135 H ARG 16 HN ARG 16 25.345 10.187 -7.081
136 HA ARG 16 HA ARG 16 27.939 8.835 -7.454
137 HB2 ARG 16 HB2 ARG 16 25.392 7.441 -6.467
138 HB3 ARG 16 HB1 ARG 16 26.900 6.628 -6.886
139 HG2 ARG 16 HG2 ARG 16 26.616 8.659 -4.644
140 HG3 ARG 16 HG1 ARG 16 26.501 6.910 -4.426
141 HD2 ARG 16 HD2 ARG 16 28.953 8.244 -5.620
142 HD3 ARG 16 HD1 ARG 16 28.755 7.978 -3.891
143 HE ARG 16 HE ARG 16 29.515 6.047 -5.841
144 HH11 ARG 16 HH11 ARG 16 27.639 6.279 -2.860
145 HH12 ARG 16 HH12 ARG 16 27.985 4.652 -2.385
146 HH21 ARG 16 HH21 ARG 16 29.940 3.916 -5.173
147 HH22 ARG 16 HH22 ARG 16 29.288 3.326 -3.678
148 H LYS 17 HN LYS 17 28.007 9.218 -9.616
149 HA LYS 17 HA LYS 17 27.656 9.017 -11.838
150 HB2 LYS 17 HB2 LYS 17 25.909 6.662 -10.984
151 HB3 LYS 17 HB1 LYS 17 26.423 6.981 -12.640
152 HG2 LYS 17 HG2 LYS 17 28.273 6.384 -10.303
153 HG3 LYS 17 HG1 LYS 17 27.794 5.243 -11.567
154 HD2 LYS 17 HD2 LYS 17 28.890 6.673 -13.272
155 HD3 LYS 17 HD1 LYS 17 29.361 7.817 -12.008
156 HE2 LYS 17 HE2 LYS 17 31.216 6.317 -12.661
157 HE3 LYS 17 HE1 LYS 17 30.780 6.121 -10.962
158 HZ1 LYS 17 HZ1 LYS 17 29.593 4.130 -11.482
159 HZ2 LYS 17 HZ2 LYS 17 31.138 4.000 -12.152
160 HZ3 LYS 17 HZ3 LYS 17 29.812 4.347 -13.141
161 H GLY 18 HN GLY 18 26.131 10.905 -10.472
162 HA2 GLY 18 HA2 GLY 18 24.693 12.546 -11.324
163 HA3 GLY 18 HA1 GLY 18 23.964 11.365 -12.398
164 H LYS 19 HN LYS 19 23.940 9.679 -9.660
165 HA LYS 19 HA LYS 19 21.234 10.562 -8.875
166 HB2 LYS 19 HB2 LYS 19 22.699 7.946 -8.270
167 HB3 LYS 19 HB1 LYS 19 21.018 8.311 -7.862
168 HG2 LYS 19 HG2 LYS 19 22.156 8.166 -10.666
169 HG3 LYS 19 HG1 LYS 19 21.237 6.875 -9.876
170 HD2 LYS 19 HD2 LYS 19 19.259 8.363 -9.763
171 HD3 LYS 19 HD1 LYS 19 20.183 9.671 -10.514
172 HE2 LYS 19 HE2 LYS 19 18.736 8.554 -12.154
173 HE3 LYS 19 HE1 LYS 19 20.435 8.319 -12.564
174 HZ1 LYS 19 HZ1 LYS 19 20.346 6.107 -11.705
175 HZ2 LYS 19 HZ2 LYS 19 19.056 6.302 -12.779
176 HZ3 LYS 19 HZ3 LYS 19 18.775 6.327 -11.114
177 H VAL 20 HN VAL 20 21.276 11.969 -7.274
178 HA VAL 20 HA VAL 20 23.330 12.110 -5.259
179 HB VAL 20 HB VAL 20 20.678 13.609 -5.415
180 HG11 VAL 20 HG11 VAL 20 23.153 14.242 -3.746
181 HG12 VAL 20 HG12 VAL 20 21.603 13.667 -3.129
182 HG13 VAL 20 HG13 VAL 20 21.717 15.261 -3.876
183 HG21 VAL 20 HG21 VAL 20 23.438 14.493 -6.366
184 HG22 VAL 20 HG22 VAL 20 21.982 15.491 -6.366
185 HG23 VAL 20 HG23 VAL 20 22.068 14.064 -7.399
186 H GLU 21 HN GLU 21 23.382 10.750 -3.605
187 HA GLU 21 HA GLU 21 20.989 9.300 -2.713
188 HB2 GLU 21 HB2 GLU 21 23.926 8.824 -2.028
189 HB3 GLU 21 HB1 GLU 21 22.573 7.787 -1.573
190 HG2 GLU 21 HG2 GLU 21 22.188 7.300 -3.974
191 HG3 GLU 21 HG1 GLU 21 23.596 8.281 -4.390
192 H TYR 22 HN TYR 22 20.214 9.493 -0.697
193 HA TYR 22 HA TYR 22 21.523 11.278 1.263
194 HB2 TYR 22 HB2 TYR 22 18.539 10.832 0.718
195 HB3 TYR 22 HB1 TYR 22 19.151 11.666 2.145
196 HD1 TYR 22 HD1 TYR 22 19.196 11.818 -1.602
197 HD2 TYR 22 HD2 TYR 22 19.566 13.996 2.049
198 HE1 TYR 22 HE1 TYR 22 19.311 13.913 -2.858
199 HE2 TYR 22 HE2 TYR 22 19.661 16.098 0.788
200 HH TYR 22 HH TYR 22 18.912 16.260 -2.554
201 H LEU 23 HN LEU 23 22.488 9.899 2.648
202 HA LEU 23 HA LEU 23 21.347 7.460 3.634
203 HB2 LEU 23 HB2 LEU 23 23.792 8.021 3.816
204 HB3 LEU 23 HB1 LEU 23 23.396 9.313 4.935
205 HG LEU 23 HG LEU 23 22.554 7.651 6.571
206 HD11 LEU 23 HD11 LEU 23 23.449 5.536 4.595
207 HD12 LEU 23 HD12 LEU 23 21.788 5.906 5.065
208 HD13 LEU 23 HD13 LEU 23 22.906 5.252 6.253
209 HD21 LEU 23 HD21 LEU 23 24.898 8.366 6.700
210 HD22 LEU 23 HD22 LEU 23 25.380 7.058 5.615
211 HD23 LEU 23 HD23 LEU 23 24.725 6.688 7.213
212 H VAL 24 HN VAL 24 19.390 7.644 4.527
213 HA VAL 24 HA VAL 24 18.734 9.978 6.168
214 HB VAL 24 HB VAL 24 16.953 7.910 4.797
215 HG11 VAL 24 HG11 VAL 24 15.018 9.249 5.586
216 HG12 VAL 24 HG12 VAL 24 16.093 10.249 6.563
217 HG13 VAL 24 HG13 VAL 24 15.896 8.536 6.943
218 HG21 VAL 24 HG21 VAL 24 17.416 10.876 4.321
219 HG22 VAL 24 HG22 VAL 24 16.205 9.895 3.503
220 HG23 VAL 24 HG23 VAL 24 17.918 9.544 3.276
221 H LYS 25 HN LYS 25 18.974 9.752 8.243
222 HA LYS 25 HA LYS 25 18.920 7.231 9.640
223 HB2 LYS 25 HB2 LYS 25 20.256 9.430 10.259
224 HB3 LYS 25 HB1 LYS 25 18.750 9.959 10.991
225 HG2 LYS 25 HG2 LYS 25 20.364 7.492 11.773
226 HG3 LYS 25 HG1 LYS 25 20.295 9.017 12.661
227 HD2 LYS 25 HD2 LYS 25 17.823 8.623 12.971
228 HD3 LYS 25 HD1 LYS 25 18.024 7.042 12.233
229 HE2 LYS 25 HE2 LYS 25 19.519 6.362 14.061
230 HE3 LYS 25 HE1 LYS 25 19.372 7.968 14.792
231 HZ1 LYS 25 HZ1 LYS 25 17.115 6.087 14.336
232 HZ2 LYS 25 HZ2 LYS 25 17.016 7.600 15.087
233 HZ3 LYS 25 HZ3 LYS 25 17.885 6.353 15.820
234 H TRP 26 HN TRP 26 17.066 6.230 10.016
235 HA TRP 26 HA TRP 26 14.489 7.618 9.940
236 HB2 TRP 26 HB2 TRP 26 14.927 4.624 10.319
237 HB3 TRP 26 HB1 TRP 26 13.506 5.442 9.675
238 HD1 TRP 26 HD1 TRP 26 17.022 4.302 8.690
239 HE1 TRP 26 HE1 TRP 26 17.241 4.338 6.122
240 HE3 TRP 26 HE3 TRP 26 12.578 6.528 7.513
241 HZ2 TRP 26 HZ2 TRP 26 15.766 5.224 3.923
242 HZ3 TRP 26 HZ3 TRP 26 12.063 6.942 5.142
243 HH2 TRP 26 HH2 TRP 26 13.625 6.303 3.372
244 H LYS 27 HN LYS 27 12.992 7.479 11.770
245 HA LYS 27 HA LYS 27 14.397 8.196 14.115
246 HB2 LYS 27 HB2 LYS 27 12.316 9.265 13.386
247 HB3 LYS 27 HB1 LYS 27 11.419 7.787 13.701
248 HG2 LYS 27 HG2 LYS 27 11.574 8.021 16.034
249 HG3 LYS 27 HG1 LYS 27 12.949 9.125 15.933
250 HD2 LYS 27 HD2 LYS 27 10.122 9.811 15.020
251 HD3 LYS 27 HD1 LYS 27 10.797 10.245 16.595
252 HE2 LYS 27 HE2 LYS 27 12.561 11.569 15.466
253 HE3 LYS 27 HE1 LYS 27 11.876 11.142 13.894
254 HZ1 LYS 27 HZ1 LYS 27 11.215 13.340 14.690
255 HZ2 LYS 27 HZ2 LYS 27 10.445 12.637 16.019
256 HZ3 LYS 27 HZ3 LYS 27 9.887 12.326 14.457
257 H GLY 28 HN GLY 28 12.158 5.442 13.608
258 HA2 GLY 28 HA2 GLY 28 12.764 4.289 16.203
259 HA3 GLY 28 HA1 GLY 28 11.710 3.624 14.973
260 H TRP 29 HN TRP 29 14.579 4.327 13.461
261 HA TRP 29 HA TRP 29 15.606 1.558 13.763
262 HB2 TRP 29 HB2 TRP 29 15.748 3.390 11.321
263 HB3 TRP 29 HB1 TRP 29 16.383 1.752 11.413
264 HD1 TRP 29 HD1 TRP 29 12.945 3.588 11.511
265 HE1 TRP 29 HE1 TRP 29 11.160 2.010 10.548
266 HE3 TRP 29 HE3 TRP 29 15.818 -0.597 10.804
267 HZ2 TRP 29 HZ2 TRP 29 10.971 -0.634 9.618
268 HZ3 TRP 29 HZ3 TRP 29 14.754 -2.606 9.861
269 HH2 TRP 29 HH2 TRP 29 12.377 -2.626 9.278
270 HA PRO 30 HA PRO 30 19.340 3.563 15.328
271 HB2 PRO 30 HB2 PRO 30 21.144 1.498 14.963
272 HB3 PRO 30 HB1 PRO 30 19.960 1.538 16.275
273 HG2 PRO 30 HG2 PRO 30 19.800 0.116 13.621
274 HG3 PRO 30 HG1 PRO 30 19.412 -0.498 15.245
275 HD2 PRO 30 HD2 PRO 30 17.464 0.339 13.578
276 HD3 PRO 30 HD1 PRO 30 17.359 0.640 15.328
277 HA PRO 31 HA PRO 31 21.587 5.438 11.881
278 HB2 PRO 31 HB2 PRO 31 24.119 4.817 13.415
279 HB3 PRO 31 HB1 PRO 31 23.589 6.343 12.682
280 HG2 PRO 31 HG2 PRO 31 23.368 6.017 15.303
281 HG3 PRO 31 HG1 PRO 31 22.038 6.776 14.400
282 HD2 PRO 31 HD2 PRO 31 22.246 3.955 15.459
283 HD3 PRO 31 HD1 PRO 31 20.853 5.064 15.466
284 H LYS 32 HN LYS 32 22.603 2.222 12.954
285 HA LYS 32 HA LYS 32 24.129 1.619 10.576
286 HB2 LYS 32 HB2 LYS 32 24.167 -0.722 11.411
287 HB3 LYS 32 HB1 LYS 32 24.702 0.440 12.619
288 HG2 LYS 32 HG2 LYS 32 22.477 0.290 13.720
289 HG3 LYS 32 HG1 LYS 32 21.982 -0.912 12.523
290 HD2 LYS 32 HD2 LYS 32 23.825 -2.406 13.302
291 HD3 LYS 32 HD1 LYS 32 24.257 -1.212 14.532
292 HE2 LYS 32 HE2 LYS 32 22.043 -1.496 15.581
293 HE3 LYS 32 HE1 LYS 32 21.588 -2.664 14.336
294 HZ1 LYS 32 HZ1 LYS 32 23.823 -2.982 16.267
295 HZ2 LYS 32 HZ2 LYS 32 23.356 -4.108 15.098
296 HZ3 LYS 32 HZ3 LYS 32 22.313 -3.742 16.374
297 H TYR 33 HN TYR 33 20.758 1.087 11.600
298 HA TYR 33 HA TYR 33 20.039 -0.379 9.175
299 HB2 TYR 33 HB2 TYR 33 18.386 0.665 11.510
300 HB3 TYR 33 HB1 TYR 33 17.655 -0.114 10.114
301 HD1 TYR 33 HD1 TYR 33 20.757 -1.749 10.817
302 HD2 TYR 33 HD2 TYR 33 16.715 -1.477 12.182
303 HE1 TYR 33 HE1 TYR 33 20.977 -3.932 11.924
304 HE2 TYR 33 HE2 TYR 33 16.940 -3.663 13.283
305 HH TYR 33 HH TYR 33 18.311 -5.693 13.107
306 H SER 34 HN SER 34 20.672 2.816 9.771
307 HA SER 34 HA SER 34 18.768 4.121 8.101
308 HB2 SER 34 HB2 SER 34 21.605 4.953 8.835
309 HB3 SER 34 HB1 SER 34 20.353 6.007 8.164
310 HG SER 34 HG SER 34 19.715 4.577 10.479
311 H THR 35 HN THR 35 18.983 4.717 5.882
312 HA THR 35 HA THR 35 20.828 3.024 4.294
313 HB THR 35 HB THR 35 18.757 2.478 2.828
314 HG1 THR 35 HG1 THR 35 17.172 3.760 3.570
315 HG21 THR 35 HG21 THR 35 18.056 0.557 4.207
316 HG22 THR 35 HG22 THR 35 18.811 1.294 5.624
317 HG23 THR 35 HG23 THR 35 19.807 0.754 4.270
318 H TRP 36 HN TRP 36 21.017 3.631 2.054
319 HA TRP 36 HA TRP 36 20.817 6.525 1.564
320 HB2 TRP 36 HB2 TRP 36 22.304 4.339 0.007
321 HB3 TRP 36 HB1 TRP 36 22.349 6.055 -0.369
322 HD1 TRP 36 HD1 TRP 36 23.705 3.522 2.205
323 HE1 TRP 36 HE1 TRP 36 25.737 4.573 3.375
324 HE3 TRP 36 HE3 TRP 36 23.372 8.280 0.336
325 HZ2 TRP 36 HZ2 TRP 36 27.030 7.071 3.507
326 HZ3 TRP 36 HZ3 TRP 36 25.042 9.944 1.047
327 HH2 TRP 36 HH2 TRP 36 26.833 9.353 2.605
328 H GLU 37 HN GLU 37 18.898 7.052 0.633
329 HA GLU 37 HA GLU 37 17.969 5.546 -1.762
330 HB2 GLU 37 HB2 GLU 37 16.470 7.240 0.259
331 HB3 GLU 37 HB1 GLU 37 15.778 6.865 -1.303
332 HG2 GLU 37 HG2 GLU 37 14.840 5.438 0.369
333 HG3 GLU 37 HG1 GLU 37 15.816 4.475 -0.747
334 HA PRO 38 HA PRO 38 19.209 9.142 -4.127
335 HB2 PRO 38 HB2 PRO 38 17.171 8.630 -6.190
336 HB3 PRO 38 HB1 PRO 38 18.920 8.412 -6.274
337 HG2 PRO 38 HG2 PRO 38 17.128 6.330 -6.216
338 HG3 PRO 38 HG1 PRO 38 18.804 6.199 -5.655
339 HD2 PRO 38 HD2 PRO 38 16.280 6.498 -4.056
340 HD3 PRO 38 HD1 PRO 38 17.739 5.546 -3.703
341 H GLU 39 HN GLU 39 18.397 11.168 -5.088
342 HA GLU 39 HA GLU 39 17.226 12.677 -3.111
343 HB2 GLU 39 HB2 GLU 39 17.344 14.558 -4.687
344 HB3 GLU 39 HB1 GLU 39 18.761 13.525 -4.857
345 HG2 GLU 39 HG2 GLU 39 17.497 12.428 -6.826
346 HG3 GLU 39 HG1 GLU 39 16.399 13.796 -6.733
347 H GLU 40 HN GLU 40 15.546 11.119 -5.730
348 HA GLU 40 HA GLU 40 13.216 12.701 -5.874
349 HB2 GLU 40 HB2 GLU 40 13.953 11.060 -7.602
350 HB3 GLU 40 HB1 GLU 40 13.545 9.741 -6.512
351 HG2 GLU 40 HG2 GLU 40 11.163 10.507 -6.573
352 HG3 GLU 40 HG1 GLU 40 11.622 11.728 -7.758
353 H HIS 41 HN HIS 41 14.123 10.102 -3.668
354 HA HIS 41 HA HIS 41 11.551 9.334 -2.780
355 HB2 HIS 41 HB2 HIS 41 12.603 8.012 -1.174
356 HB3 HIS 41 HB1 HIS 41 13.835 8.145 -2.417
357 HD1 HIS 41 HD1 HIS 41 13.555 8.149 1.044
358 HD2 HIS 41 HD2 HIS 41 15.696 10.515 -1.588
359 HE1 HIS 41 HE1 HIS 41 15.459 9.030 2.360
360 HE2 HIS 41 HE2 HIS 41 16.892 10.248 0.687
361 H ILE 42 HN ILE 42 13.415 12.143 -2.014
362 HA ILE 42 HA ILE 42 12.393 12.735 0.580
363 HB ILE 42 HB ILE 42 13.517 14.653 -1.529
364 HG12 ILE 42 HG12 ILE 42 15.154 12.867 -0.932
365 HG13 ILE 42 HG11 ILE 42 15.691 14.450 -0.385
366 HG21 ILE 42 HG21 ILE 42 12.248 15.865 0.182
367 HG22 ILE 42 HG22 ILE 42 13.970 16.187 0.365
368 HG23 ILE 42 HG23 ILE 42 13.163 15.072 1.470
369 HD11 ILE 42 HD11 ILE 42 14.464 12.302 1.348
370 HD12 ILE 42 HD12 ILE 42 15.017 13.887 1.903
371 HD13 ILE 42 HD13 ILE 42 16.172 12.727 1.248
372 H LEU 43 HN LEU 43 10.253 13.125 0.968
373 HA LEU 43 HA LEU 43 8.474 14.174 -1.103
374 HB2 LEU 43 HB2 LEU 43 7.815 13.596 1.821
375 HB3 LEU 43 HB1 LEU 43 6.675 13.824 0.500
376 HG LEU 43 HG LEU 43 8.435 11.420 1.085
377 HD11 LEU 43 HD11 LEU 43 5.435 11.699 0.699
378 HD12 LEU 43 HD12 LEU 43 6.287 11.466 2.227
379 HD13 LEU 43 HD13 LEU 43 6.302 10.195 1.013
380 HD21 LEU 43 HD21 LEU 43 7.671 10.411 -1.029
381 HD22 LEU 43 HD22 LEU 43 8.714 11.804 -1.278
382 HD23 LEU 43 HD23 LEU 43 6.969 11.959 -1.514
383 H ASP 44 HN ASP 44 9.170 15.020 2.275
384 HA ASP 44 HA ASP 44 8.264 17.736 2.019
385 HB2 ASP 44 HB2 ASP 44 7.872 16.549 4.102
386 HB3 ASP 44 HB1 ASP 44 9.588 16.179 4.278
387 HA PRO 45 HA PRO 45 12.409 19.123 0.594
388 HB2 PRO 45 HB2 PRO 45 11.817 21.791 0.340
389 HB3 PRO 45 HB1 PRO 45 11.327 20.584 -0.855
390 HG2 PRO 45 HG2 PRO 45 9.708 21.787 1.389
391 HG3 PRO 45 HG1 PRO 45 9.242 21.520 -0.305
392 HD2 PRO 45 HD2 PRO 45 8.479 19.829 1.674
393 HD3 PRO 45 HD1 PRO 45 8.836 19.241 0.032
394 H ARG 46 HN ARG 46 10.599 20.277 3.331
395 HA ARG 46 HA ARG 46 12.638 21.895 4.526
396 HB2 ARG 46 HB2 ARG 46 10.212 20.636 5.875
397 HB3 ARG 46 HB1 ARG 46 11.163 22.001 6.470
398 HG2 ARG 46 HG2 ARG 46 10.407 23.354 4.536
399 HG3 ARG 46 HG1 ARG 46 9.457 21.983 3.954
400 HD2 ARG 46 HD2 ARG 46 8.019 23.573 5.124
401 HD3 ARG 46 HD1 ARG 46 8.101 22.053 6.027
402 HE ARG 46 HE ARG 46 9.955 24.181 6.811
403 HH11 ARG 46 HH11 ARG 46 6.939 22.531 7.525
404 HH12 ARG 46 HH12 ARG 46 6.884 23.103 9.160
405 HH21 ARG 46 HH21 ARG 46 9.851 24.944 8.940
406 HH22 ARG 46 HH22 ARG 46 8.532 24.470 9.962
407 H LEU 47 HN LEU 47 12.037 18.497 4.419
408 HA LEU 47 HA LEU 47 13.428 17.532 6.660
409 HB2 LEU 47 HB2 LEU 47 12.115 16.030 5.363
410 HB3 LEU 47 HB1 LEU 47 12.908 16.481 3.870
411 HG LEU 47 HG LEU 47 14.905 15.218 4.473
412 HD11 LEU 47 HD11 LEU 47 13.518 14.518 7.072
413 HD12 LEU 47 HD12 LEU 47 14.971 15.507 6.881
414 HD13 LEU 47 HD13 LEU 47 15.012 13.794 6.470
415 HD21 LEU 47 HD21 LEU 47 13.961 12.948 4.375
416 HD22 LEU 47 HD22 LEU 47 13.113 14.045 3.288
417 HD23 LEU 47 HD23 LEU 47 12.374 13.579 4.824
418 H VAL 48 HN VAL 48 14.673 18.207 3.366
419 HA VAL 48 HA VAL 48 17.434 17.666 4.048
420 HB VAL 48 HB VAL 48 16.273 18.980 1.548
421 HG11 VAL 48 HG11 VAL 48 18.674 19.491 1.776
422 HG12 VAL 48 HG12 VAL 48 18.409 18.376 0.436
423 HG13 VAL 48 HG13 VAL 48 19.041 17.774 1.971
424 HG21 VAL 48 HG21 VAL 48 17.009 16.063 2.027
425 HG22 VAL 48 HG22 VAL 48 16.475 16.747 0.487
426 HG23 VAL 48 HG23 VAL 48 15.372 16.712 1.864
427 H MET 49 HN MET 49 15.396 20.494 3.580
428 HA MET 49 HA MET 49 17.410 22.489 3.776
429 HB2 MET 49 HB2 MET 49 14.383 22.570 3.975
430 HB3 MET 49 HB1 MET 49 15.347 24.022 4.264
431 HG2 MET 49 HG2 MET 49 16.339 23.674 1.942
432 HG3 MET 49 HG1 MET 49 15.104 22.436 1.696
433 HE1 MET 49 HE1 MET 49 12.588 23.829 3.317
434 HE2 MET 49 HE2 MET 49 12.457 22.976 1.779
435 HE3 MET 49 HE3 MET 49 11.794 24.603 1.943
436 H ALA 50 HN ALA 50 15.553 20.766 6.247
437 HA ALA 50 HA ALA 50 16.279 22.525 8.427
438 HB1 ALA 50 HB1 ALA 50 15.440 20.750 9.918
439 HB2 ALA 50 HB2 ALA 50 15.313 19.642 8.546
440 HB3 ALA 50 HB3 ALA 50 14.291 21.077 8.617
441 H TYR 51 HN TYR 51 17.497 19.437 7.127
442 HA TYR 51 HA TYR 51 19.478 18.855 9.014
443 HB2 TYR 51 HB2 TYR 51 18.910 17.163 7.420
444 HB3 TYR 51 HB1 TYR 51 19.259 18.218 6.054
445 HD1 TYR 51 HD2 TYR 51 21.238 17.121 9.103
446 HD2 TYR 51 HD1 TYR 51 21.105 17.425 4.836
447 HE1 TYR 51 HE2 TYR 51 23.500 16.159 8.954
448 HE2 TYR 51 HE1 TYR 51 23.360 16.467 4.697
449 HH TYR 51 HH TYR 51 24.862 14.935 7.321
450 H GLU 52 HN GLU 52 19.872 20.576 5.898
451 HA GLU 52 HA GLU 52 22.577 21.408 6.494
452 HB2 GLU 52 HB2 GLU 52 20.726 22.151 4.190
453 HB3 GLU 52 HB1 GLU 52 22.442 22.564 4.288
454 HG2 GLU 52 HG2 GLU 52 23.005 20.142 4.345
455 HG3 GLU 52 HG1 GLU 52 21.294 19.746 4.186
456 H GLU 53 HN GLU 53 19.593 22.543 7.440
457 HA GLU 53 HA GLU 53 18.733 24.371 8.421
458 HB2 GLU 53 HB2 GLU 53 21.674 25.033 8.901
459 HB3 GLU 53 HB1 GLU 53 20.330 25.872 9.670
460 HG2 GLU 53 HG2 GLU 53 20.874 22.900 9.978
461 HG3 GLU 53 HG1 GLU 53 21.450 24.133 11.096
462 H LYS 54 HN LYS 54 19.062 24.380 5.654
463 HA LYS 54 HA LYS 54 20.080 26.880 4.668
464 HB2 LYS 54 HB2 LYS 54 20.103 24.676 3.389
465 HB3 LYS 54 HB1 LYS 54 18.363 24.814 3.224
466 HG2 LYS 54 HG2 LYS 54 19.186 25.544 1.160
467 HG3 LYS 54 HG1 LYS 54 18.816 27.049 2.002
468 HD2 LYS 54 HD2 LYS 54 21.619 25.871 2.027
469 HD3 LYS 54 HD1 LYS 54 21.058 26.838 0.670
470 HE2 LYS 54 HE2 LYS 54 21.182 27.806 3.545
471 HE3 LYS 54 HE1 LYS 54 22.393 28.143 2.305
472 HZ1 LYS 54 HZ1 LYS 54 19.538 28.967 2.221
473 HZ2 LYS 54 HZ2 LYS 54 20.674 29.264 1.006
474 HZ3 LYS 54 HZ3 LYS 54 20.859 29.978 2.527
475 H GLU 55 HN GLU 55 18.824 28.354 5.948
476 HA GLU 55 HA GLU 55 15.955 28.619 5.497
477 HB2 GLU 55 HB2 GLU 55 17.867 30.502 6.952
478 HB3 GLU 55 HB1 GLU 55 16.103 30.542 7.021
479 HG2 GLU 55 HG2 GLU 55 16.104 28.336 8.131
480 HG3 GLU 55 HG1 GLU 55 17.867 28.291 8.048
481 H GLU 56 HN GLU 56 16.070 28.804 3.209
482 HA GLU 56 HA GLU 56 17.701 30.842 1.953
483 HB2 GLU 56 HB2 GLU 56 17.289 28.486 1.030
484 HB3 GLU 56 HB1 GLU 56 15.659 29.008 0.628
485 HG2 GLU 56 HG2 GLU 56 17.045 29.132 -1.344
486 HG3 GLU 56 HG1 GLU 56 16.581 30.760 -0.851
487 H1 ALA 1 HT1 ALA 1 5.718 23.193 15.542
488 H2 ALA 1 HT2 ALA 1 4.578 24.427 15.353
489 H3 ALA 1 HT3 ALA 1 5.480 23.893 14.025
490 HA ALA 1 HA ALA 1 3.519 22.276 15.534
491 HB1 ALA 1 HB1 ALA 1 2.070 22.480 13.564
492 HB2 ALA 1 HB2 ALA 1 3.270 23.508 12.771
493 HB3 ALA 1 HB3 ALA 1 2.449 24.069 14.229
494 H ARG 2 HN ARG 2 2.888 20.298 14.160
495 HA ARG 2 HA ARG 2 5.275 18.796 13.668
496 HB2 ARG 2 HB2 ARG 2 3.757 16.870 13.261
497 HB3 ARG 2 HB1 ARG 2 3.430 17.703 14.774
498 HG2 ARG 2 HG2 ARG 2 1.445 18.762 13.801
499 HG3 ARG 2 HG1 ARG 2 1.793 18.028 12.235
500 HD2 ARG 2 HD2 ARG 2 1.545 15.765 13.309
501 HD3 ARG 2 HD1 ARG 2 1.049 16.581 14.797
502 HE ARG 2 HE ARG 2 -0.575 17.487 12.687
503 HH11 ARG 2 HH11 ARG 2 -0.096 14.586 14.620
504 HH12 ARG 2 HH12 ARG 2 -1.690 13.985 14.312
505 HH21 ARG 2 HH21 ARG 2 -2.656 16.687 12.322
506 HH22 ARG 2 HH22 ARG 2 -3.143 15.177 13.023
507 H THR 3 HN THR 3 6.371 19.523 11.941
508 HA THR 3 HA THR 3 5.430 20.003 9.319
509 HB THR 3 HB THR 3 8.182 19.071 10.253
510 HG1 THR 3 HG1 THR 3 6.961 21.257 10.860
511 HG21 THR 3 HG21 THR 3 7.446 20.513 7.678
512 HG22 THR 3 HG22 THR 3 7.932 18.819 7.794
513 HG23 THR 3 HG23 THR 3 9.075 20.098 8.211
514 H LYS 4 HN LYS 4 6.668 17.142 10.966
515 HA LYS 4 HA LYS 4 7.049 15.022 10.474
516 HB2 LYS 4 HB2 LYS 4 4.595 14.906 10.558
517 HB3 LYS 4 HB1 LYS 4 4.497 15.246 8.833
518 HG2 LYS 4 HG2 LYS 4 5.483 13.140 8.256
519 HG3 LYS 4 HG1 LYS 4 5.966 12.825 9.924
520 HD2 LYS 4 HD2 LYS 4 3.080 12.979 8.959
521 HD3 LYS 4 HD1 LYS 4 3.987 11.478 9.170
522 HE2 LYS 4 HE2 LYS 4 4.279 12.057 11.596
523 HE3 LYS 4 HE1 LYS 4 3.251 13.472 11.348
524 HZ1 LYS 4 HZ1 LYS 4 2.072 11.548 12.256
525 HZ2 LYS 4 HZ2 LYS 4 2.412 10.671 10.854
526 HZ3 LYS 4 HZ3 LYS 4 1.439 12.051 10.771
527 H GLN 5 HN GLN 5 8.934 15.736 9.450
528 HA GLN 5 HA GLN 5 9.460 15.751 6.708
529 HB2 GLN 5 HB2 GLN 5 11.793 15.039 7.444
530 HB3 GLN 5 HB1 GLN 5 11.159 16.472 8.243
531 HG2 GLN 5 HG2 GLN 5 10.507 15.006 10.188
532 HG3 GLN 5 HG1 GLN 5 11.345 13.673 9.404
533 HE21 GLN 5 HE21 GLN 5 11.831 14.877 11.982
534 HE22 GLN 5 HE22 GLN 5 13.473 15.408 11.975
535 H THR 6 HN THR 6 9.016 14.198 5.263
536 HA THR 6 HA THR 6 9.051 11.341 6.035
537 HB THR 6 HB THR 6 6.966 12.540 4.160
538 HG1 THR 6 HG1 THR 6 6.922 13.150 6.550
539 HG21 THR 6 HG21 THR 6 7.371 10.109 3.868
540 HG22 THR 6 HG22 THR 6 5.775 10.408 4.559
541 HG23 THR 6 HG23 THR 6 7.092 9.854 5.595
542 H ALA 7 HN ALA 7 9.841 9.927 4.581
543 HA ALA 7 HA ALA 7 10.518 10.711 1.851
544 HB1 ALA 7 HB1 ALA 7 12.643 9.748 3.803
545 HB2 ALA 7 HB2 ALA 7 12.509 11.379 3.143
546 HB3 ALA 7 HB3 ALA 7 12.870 10.024 2.074
547 H ARG 8 HN ARG 8 10.798 8.898 0.469
548 HA ARG 8 HA ARG 8 9.508 6.438 1.369
549 HB2 ARG 8 HB2 ARG 8 10.544 7.136 -1.416
550 HB3 ARG 8 HB1 ARG 8 9.425 5.835 -0.997
551 HG2 ARG 8 HG2 ARG 8 7.760 7.572 -0.293
552 HG3 ARG 8 HG1 ARG 8 8.882 8.822 -0.841
553 HD2 ARG 8 HD2 ARG 8 7.493 6.717 -2.540
554 HD3 ARG 8 HD1 ARG 8 7.219 8.462 -2.567
555 HE ARG 8 HE ARG 8 9.489 6.995 -3.714
556 HH11 ARG 8 HH11 ARG 8 8.037 10.139 -3.127
557 HH12 ARG 8 HH12 ARG 8 8.997 10.929 -4.331
558 HH21 ARG 8 HH21 ARG 8 10.723 8.051 -5.289
559 HH22 ARG 8 HH22 ARG 8 10.506 9.750 -5.557
560 H M3L 9 HN M3L 9 10.488 4.310 0.422
561 HA M3L 9 HA M3L 9 13.450 4.336 0.539
562 HB2 M3L 9 HB2 M3L 9 11.532 2.106 1.307
563 HB3 M3L 9 HB1 M3L 9 13.266 1.855 1.072
564 HG2 M3L 9 HG2 M3L 9 13.629 3.685 2.817
565 HG3 M3L 9 HG1 M3L 9 11.901 3.554 3.182
566 HD2 M3L 9 HD2 M3L 9 12.200 1.178 3.780
567 HD3 M3L 9 HD1 M3L 9 13.914 1.269 3.348
568 HE2 M3L 9 HE2 M3L 9 14.122 3.105 5.122
569 HE3 M3L 9 HE1 M3L 9 12.490 2.677 5.641
570 HM11 M3L 9 HH33 M3L 9 15.104 0.227 4.491
571 HM12 M3L 9 HH31 M3L 9 15.726 -0.103 6.112
572 HM13 M3L 9 HH32 M3L 9 16.008 1.471 5.359
573 HM21 M3L 9 HH11 M3L 9 13.392 -0.737 6.869
574 HM22 M3L 9 HH12 M3L 9 12.769 -0.402 5.252
575 HM23 M3L 9 HH13 M3L 9 12.061 0.399 6.655
576 HM31 M3L 9 HH21 M3L 9 14.715 0.994 8.097
577 HM32 M3L 9 HH22 M3L 9 13.386 2.142 7.912
578 HM33 M3L 9 HH23 M3L 9 15.008 2.574 7.365
579 H SER 10 HN SER 10 14.497 2.634 -0.758
580 HA SER 10 HA SER 10 13.600 2.796 -3.502
581 HB2 SER 10 HB2 SER 10 15.999 3.050 -2.917
582 HB3 SER 10 HB1 SER 10 16.033 1.407 -2.286
583 HG SER 10 HG SER 10 16.700 1.977 -4.617
584 H THR 11 HN THR 11 13.469 0.891 -4.886
585 HA THR 11 HA THR 11 12.702 -1.652 -3.634
586 HB THR 11 HB THR 11 10.584 -0.376 -3.863
587 HG1 THR 11 HG1 THR 11 10.551 -2.649 -4.140
588 HG21 THR 11 HG21 THR 11 11.164 -0.336 -6.854
589 HG22 THR 11 HG22 THR 11 11.152 1.072 -5.787
590 HG23 THR 11 HG23 THR 11 9.660 0.180 -6.089
591 H GLY 12 HN GLY 12 12.621 -3.406 -5.216
592 HA2 GLY 12 HA2 GLY 12 13.309 -4.534 -7.125
593 HA3 GLY 12 HA1 GLY 12 13.952 -3.043 -7.796
594 H GLY 13 HN GLY 13 15.612 -2.235 -5.665
595 HA2 GLY 13 HA2 GLY 13 17.583 -2.711 -4.510
596 HA3 GLY 13 HA1 GLY 13 17.557 -4.364 -5.118
597 H LYS 14 HN LYS 14 19.848 -2.742 -5.088
598 HA LYS 14 HA LYS 14 20.588 -2.751 -7.897
599 HB2 LYS 14 HB2 LYS 14 21.441 -0.428 -7.870
600 HB3 LYS 14 HB1 LYS 14 19.693 -0.480 -7.675
601 HG2 LYS 14 HG2 LYS 14 19.900 -0.042 -5.281
602 HG3 LYS 14 HG1 LYS 14 21.662 -0.105 -5.381
603 HD2 LYS 14 HD2 LYS 14 19.880 1.954 -6.765
604 HD3 LYS 14 HD1 LYS 14 20.792 2.228 -5.277
605 HE2 LYS 14 HE2 LYS 14 21.966 1.623 -8.016
606 HE3 LYS 14 HE1 LYS 14 21.986 3.182 -7.192
607 HZ1 LYS 14 HZ1 LYS 14 23.356 0.704 -6.262
608 HZ2 LYS 14 HZ2 LYS 14 23.349 2.188 -5.450
609 HZ3 LYS 14 HZ3 LYS 14 24.091 2.060 -6.961
610 H ALA 15 HN ALA 15 22.864 -2.547 -8.242
611 HA ALA 15 HA ALA 15 24.533 -3.401 -5.972
612 HB1 ALA 15 HB1 ALA 15 26.190 -4.019 -7.714
613 HB2 ALA 15 HB2 ALA 15 25.120 -3.384 -8.966
614 HB3 ALA 15 HB3 ALA 15 24.629 -4.785 -8.014
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 7.763 -1.250 -1.873
2 H2 GLY 1 HT2 GLY 1 8.833 -0.851 -3.109
3 H3 GLY 1 HT3 GLY 1 7.870 -2.230 -3.244
4 HA2 GLY 1 HA1 GLY 1 6.981 -0.530 -4.627
5 HA3 GLY 1 HA2 GLY 1 5.887 -0.857 -3.293
6 H GLU 2 HN GLU 2 5.313 0.834 -1.981
7 HA GLU 2 HA GLU 2 6.618 3.470 -2.386
8 HB2 GLU 2 HB2 GLU 2 3.638 2.815 -2.386
9 HB3 GLU 2 HB1 GLU 2 4.298 4.449 -2.400
10 HG2 GLU 2 HG2 GLU 2 5.265 4.108 -4.595
11 HG3 GLU 2 HG1 GLU 2 4.837 2.398 -4.574
12 H GLN 3 HN GLN 3 7.270 1.860 -0.287
13 HA GLN 3 HA GLN 3 5.706 2.287 2.077
14 HB2 GLN 3 HB2 GLN 3 8.534 1.251 1.657
15 HB3 GLN 3 HB1 GLN 3 7.799 1.396 3.245
16 HG2 GLN 3 HG2 GLN 3 7.604 -0.880 2.592
17 HG3 GLN 3 HG1 GLN 3 5.992 -0.175 2.489
18 HE21 GLN 3 HE21 GLN 3 5.284 -1.773 1.056
19 HE22 GLN 3 HE22 GLN 3 5.808 -1.853 -0.587
20 H VAL 4 HN VAL 4 5.661 4.065 3.310
21 HA VAL 4 HA VAL 4 7.951 5.949 3.348
22 HB VAL 4 HB VAL 4 6.272 7.711 4.074
23 HG11 VAL 4 HG11 VAL 4 7.130 7.614 1.779
24 HG12 VAL 4 HG12 VAL 4 5.448 8.142 1.788
25 HG13 VAL 4 HG13 VAL 4 5.848 6.485 1.328
26 HG21 VAL 4 HG21 VAL 4 4.188 5.662 3.184
27 HG22 VAL 4 HG22 VAL 4 3.856 7.351 3.578
28 HG23 VAL 4 HG23 VAL 4 4.419 6.247 4.834
29 H PHE 5 HN PHE 5 8.987 6.167 5.230
30 HA PHE 5 HA PHE 5 7.685 5.260 7.737
31 HB2 PHE 5 HB2 PHE 5 10.554 4.795 6.807
32 HB3 PHE 5 HB1 PHE 5 10.032 4.547 8.470
33 HD1 PHE 5 HD2 PHE 5 9.633 3.311 4.983
34 HD2 PHE 5 HD1 PHE 5 8.781 2.578 9.103
35 HE1 PHE 5 HE2 PHE 5 8.914 1.025 4.441
36 HE2 PHE 5 HE1 PHE 5 8.055 0.299 8.536
37 HZ PHE 5 HZ PHE 5 8.120 -0.479 6.209
38 H ALA 6 HN ALA 6 8.413 6.233 9.651
39 HA ALA 6 HA ALA 6 8.637 9.055 9.580
40 HB1 ALA 6 HB1 ALA 6 7.490 7.856 11.407
41 HB2 ALA 6 HB2 ALA 6 8.779 8.883 12.038
42 HB3 ALA 6 HB3 ALA 6 9.024 7.140 11.910
43 H VAL 7 HN VAL 7 10.448 10.026 8.907
44 HA VAL 7 HA VAL 7 13.118 8.967 9.365
45 HB VAL 7 HB VAL 7 13.935 10.839 8.039
46 HG11 VAL 7 HG11 VAL 7 11.383 9.744 6.793
47 HG12 VAL 7 HG12 VAL 7 12.979 8.989 6.749
48 HG13 VAL 7 HG13 VAL 7 12.707 10.517 5.912
49 HG21 VAL 7 HG21 VAL 7 12.628 12.679 8.926
50 HG22 VAL 7 HG22 VAL 7 11.137 12.010 8.266
51 HG23 VAL 7 HG23 VAL 7 12.382 12.624 7.179
52 H GLU 8 HN GLU 8 14.732 10.065 10.516
53 HA GLU 8 HA GLU 8 13.933 11.778 12.753
54 HB2 GLU 8 HB2 GLU 8 15.483 9.787 13.011
55 HB3 GLU 8 HB1 GLU 8 16.666 10.627 12.023
56 HG2 GLU 8 HG2 GLU 8 16.812 12.413 13.739
57 HG3 GLU 8 HG1 GLU 8 15.624 11.546 14.718
58 H SER 9 HN SER 9 16.615 11.714 10.416
59 HA SER 9 HA SER 9 16.114 14.263 9.214
60 HB2 SER 9 HB2 SER 9 18.514 14.015 11.104
61 HB3 SER 9 HB1 SER 9 18.376 15.272 9.876
62 HG SER 9 HG SER 9 16.560 14.870 12.035
63 H ILE 10 HN ILE 10 18.017 14.716 7.596
64 HA ILE 10 HA ILE 10 19.081 12.321 6.390
65 HB ILE 10 HB ILE 10 19.954 15.215 5.931
66 HG12 ILE 10 HG12 ILE 10 17.535 14.893 5.412
67 HG13 ILE 10 HG11 ILE 10 18.481 15.271 3.980
68 HG21 ILE 10 HG21 ILE 10 21.651 13.624 5.156
69 HG22 ILE 10 HG22 ILE 10 20.876 14.399 3.775
70 HG23 ILE 10 HG23 ILE 10 20.440 12.746 4.217
71 HD11 ILE 10 HD11 ILE 10 18.427 12.905 3.338
72 HD12 ILE 10 HD12 ILE 10 16.816 13.597 3.509
73 HD13 ILE 10 HD13 ILE 10 17.459 12.547 4.770
74 H ARG 11 HN ARG 11 20.741 11.227 7.200
75 HA ARG 11 HA ARG 11 22.416 12.145 9.347
76 HB2 ARG 11 HB2 ARG 11 21.552 9.711 8.841
77 HB3 ARG 11 HB1 ARG 11 22.884 9.611 7.706
78 HG2 ARG 11 HG2 ARG 11 23.219 10.148 10.682
79 HG3 ARG 11 HG1 ARG 11 23.282 8.545 9.959
80 HD2 ARG 11 HD2 ARG 11 25.242 9.356 8.564
81 HD3 ARG 11 HD1 ARG 11 25.217 10.843 9.520
82 HE ARG 11 HE ARG 11 25.308 8.801 11.366
83 HH11 ARG 11 HH11 ARG 11 27.419 9.901 8.782
84 HH12 ARG 11 HH12 ARG 11 28.839 9.232 9.510
85 HH21 ARG 11 HH21 ARG 11 27.157 7.955 12.297
86 HH22 ARG 11 HH22 ARG 11 28.689 8.126 11.505
87 H LYS 12 HN LYS 12 22.827 11.492 5.863
88 HA LYS 12 HA LYS 12 25.120 13.264 5.650
89 HB2 LYS 12 HB2 LYS 12 25.957 10.945 6.468
90 HB3 LYS 12 HB1 LYS 12 25.523 10.339 4.876
91 HG2 LYS 12 HG2 LYS 12 27.138 11.823 3.821
92 HG3 LYS 12 HG1 LYS 12 27.477 12.599 5.373
93 HD2 LYS 12 HD2 LYS 12 28.440 10.516 6.243
94 HD3 LYS 12 HD1 LYS 12 28.044 9.678 4.739
95 HE2 LYS 12 HE2 LYS 12 30.431 10.318 4.841
96 HE3 LYS 12 HE1 LYS 12 29.604 11.114 3.502
97 HZ1 LYS 12 HZ1 LYS 12 29.470 13.126 4.829
98 HZ2 LYS 12 HZ2 LYS 12 31.071 12.613 4.690
99 HZ3 LYS 12 HZ3 LYS 12 30.231 12.356 6.131
100 H LYS 13 HN LYS 13 25.821 13.444 3.283
101 HA LYS 13 HA LYS 13 23.796 12.719 1.300
102 HB2 LYS 13 HB2 LYS 13 22.766 14.718 2.265
103 HB3 LYS 13 HB1 LYS 13 24.285 15.602 2.191
104 HG2 LYS 13 HG2 LYS 13 24.126 15.388 -0.365
105 HG3 LYS 13 HG1 LYS 13 22.474 14.812 -0.115
106 HD2 LYS 13 HD2 LYS 13 21.830 16.934 0.902
107 HD3 LYS 13 HD1 LYS 13 23.506 17.501 0.889
108 HE2 LYS 13 HE2 LYS 13 23.475 17.420 -1.606
109 HE3 LYS 13 HE1 LYS 13 21.777 16.940 -1.548
110 HZ1 LYS 13 HZ1 LYS 13 21.244 19.030 -0.508
111 HZ2 LYS 13 HZ2 LYS 13 22.061 19.297 -1.959
112 HZ3 LYS 13 HZ3 LYS 13 22.874 19.487 -0.491
113 H ARG 14 HN ARG 14 24.533 12.937 -0.806
114 HA ARG 14 HA ARG 14 26.873 14.341 -1.630
115 HB2 ARG 14 HB2 ARG 14 28.352 12.463 -2.142
116 HB3 ARG 14 HB1 ARG 14 27.954 12.426 -0.425
117 HG2 ARG 14 HG2 ARG 14 26.184 10.691 -0.969
118 HG3 ARG 14 HG1 ARG 14 26.843 10.641 -2.608
119 HD2 ARG 14 HD2 ARG 14 29.075 10.043 -1.599
120 HD3 ARG 14 HD1 ARG 14 28.260 9.930 -0.025
121 HE ARG 14 HE ARG 14 26.907 8.343 -1.940
122 HH11 ARG 14 HH11 ARG 14 29.823 8.288 0.028
123 HH12 ARG 14 HH12 ARG 14 30.013 6.571 -0.113
124 HH21 ARG 14 HH21 ARG 14 27.176 6.146 -2.131
125 HH22 ARG 14 HH22 ARG 14 28.495 5.350 -1.331
126 H VAL 15 HN VAL 15 27.497 13.238 -3.973
127 HA VAL 15 HA VAL 15 25.013 12.427 -5.380
128 HB VAL 15 HB VAL 15 27.211 14.246 -6.498
129 HG11 VAL 15 HG11 VAL 15 24.649 13.245 -7.820
130 HG12 VAL 15 HG12 VAL 15 26.296 12.784 -8.262
131 HG13 VAL 15 HG13 VAL 15 25.747 14.442 -8.512
132 HG21 VAL 15 HG21 VAL 15 24.331 14.926 -5.770
133 HG22 VAL 15 HG22 VAL 15 25.476 16.024 -6.545
134 HG23 VAL 15 HG23 VAL 15 25.772 15.459 -4.898
135 H ARG 16 HN ARG 16 25.236 10.425 -6.212
136 HA ARG 16 HA ARG 16 27.678 9.619 -7.579
137 HB2 ARG 16 HB2 ARG 16 27.692 8.873 -5.047
138 HB3 ARG 16 HB1 ARG 16 26.475 7.709 -5.546
139 HG2 ARG 16 HG2 ARG 16 28.556 6.584 -5.565
140 HG3 ARG 16 HG1 ARG 16 28.121 6.846 -7.254
141 HD2 ARG 16 HD2 ARG 16 29.632 8.844 -7.268
142 HD3 ARG 16 HD1 ARG 16 30.130 8.441 -5.619
143 HE ARG 16 HE ARG 16 30.541 6.616 -7.925
144 HH11 ARG 16 HH11 ARG 16 31.837 8.193 -5.052
145 HH12 ARG 16 HH12 ARG 16 33.358 7.371 -5.154
146 HH21 ARG 16 HH21 ARG 16 32.538 5.581 -8.061
147 HH22 ARG 16 HH22 ARG 16 33.760 5.893 -6.866
148 H LYS 17 HN LYS 17 27.275 7.861 -9.074
149 HA LYS 17 HA LYS 17 26.170 6.901 -10.802
150 HB2 LYS 17 HB2 LYS 17 23.981 6.631 -8.705
151 HB3 LYS 17 HB1 LYS 17 23.737 6.068 -10.349
152 HG2 LYS 17 HG2 LYS 17 24.328 4.176 -9.001
153 HG3 LYS 17 HG1 LYS 17 25.695 4.521 -10.066
154 HD2 LYS 17 HD2 LYS 17 26.888 5.614 -8.211
155 HD3 LYS 17 HD1 LYS 17 25.505 5.362 -7.140
156 HE2 LYS 17 HE2 LYS 17 27.157 3.159 -8.429
157 HE3 LYS 17 HE1 LYS 17 27.311 3.704 -6.759
158 HZ1 LYS 17 HZ1 LYS 17 25.083 2.969 -6.318
159 HZ2 LYS 17 HZ2 LYS 17 25.957 1.686 -6.992
160 HZ3 LYS 17 HZ3 LYS 17 24.848 2.541 -7.933
161 H GLY 18 HN GLY 18 26.117 9.826 -10.417
162 HA2 GLY 18 HA2 GLY 18 25.262 11.717 -11.401
163 HA3 GLY 18 HA1 GLY 18 24.328 10.670 -12.457
164 H LYS 19 HN LYS 19 23.866 10.201 -9.086
165 HA LYS 19 HA LYS 19 21.312 11.715 -9.059
166 HB2 LYS 19 HB2 LYS 19 21.824 8.915 -7.943
167 HB3 LYS 19 HB1 LYS 19 20.336 9.827 -7.735
168 HG2 LYS 19 HG2 LYS 19 21.461 8.784 -10.351
169 HG3 LYS 19 HG1 LYS 19 20.082 8.115 -9.474
170 HD2 LYS 19 HD2 LYS 19 18.812 10.211 -9.870
171 HD3 LYS 19 HD1 LYS 19 20.202 10.907 -10.710
172 HE2 LYS 19 HE2 LYS 19 20.020 9.059 -12.411
173 HE3 LYS 19 HE1 LYS 19 18.545 8.516 -11.607
174 HZ1 LYS 19 HZ1 LYS 19 17.970 9.875 -13.451
175 HZ2 LYS 19 HZ2 LYS 19 18.998 11.116 -12.955
176 HZ3 LYS 19 HZ3 LYS 19 17.616 10.758 -12.053
177 H VAL 20 HN VAL 20 20.784 12.632 -7.057
178 HA VAL 20 HA VAL 20 23.004 13.009 -5.202
179 HB VAL 20 HB VAL 20 20.183 14.133 -4.937
180 HG11 VAL 20 HG11 VAL 20 21.519 14.275 -2.870
181 HG12 VAL 20 HG12 VAL 20 21.272 15.886 -3.549
182 HG13 VAL 20 HG13 VAL 20 22.828 15.074 -3.750
183 HG21 VAL 20 HG21 VAL 20 22.549 15.399 -6.374
184 HG22 VAL 20 HG22 VAL 20 21.007 16.194 -6.044
185 HG23 VAL 20 HG23 VAL 20 21.067 14.803 -7.130
186 H GLU 21 HN GLU 21 23.323 11.544 -3.616
187 HA GLU 21 HA GLU 21 21.153 9.754 -2.743
188 HB2 GLU 21 HB2 GLU 21 24.146 9.563 -2.179
189 HB3 GLU 21 HB1 GLU 21 22.928 8.348 -1.795
190 HG2 GLU 21 HG2 GLU 21 22.512 8.103 -4.268
191 HG3 GLU 21 HG1 GLU 21 23.886 9.176 -4.552
192 H TYR 22 HN TYR 22 20.502 9.618 -0.661
193 HA TYR 22 HA TYR 22 21.606 11.486 1.354
194 HB2 TYR 22 HB2 TYR 22 18.667 10.797 0.843
195 HB3 TYR 22 HB1 TYR 22 19.256 11.770 2.185
196 HD1 TYR 22 HD2 TYR 22 18.723 11.709 -1.483
197 HD2 TYR 22 HD1 TYR 22 19.896 14.088 1.864
198 HE1 TYR 22 HE2 TYR 22 18.557 13.732 -2.858
199 HE2 TYR 22 HE1 TYR 22 19.721 16.108 0.488
200 HH TYR 22 HH TYR 22 18.208 16.136 -2.555
201 H LEU 23 HN LEU 23 22.663 10.086 2.716
202 HA LEU 23 HA LEU 23 21.661 7.557 3.607
203 HB2 LEU 23 HB2 LEU 23 24.064 8.297 3.798
204 HB3 LEU 23 HB1 LEU 23 23.581 9.490 4.993
205 HG LEU 23 HG LEU 23 22.873 7.647 6.524
206 HD11 LEU 23 HD11 LEU 23 23.482 5.325 6.038
207 HD12 LEU 23 HD12 LEU 23 24.006 5.790 4.418
208 HD13 LEU 23 HD13 LEU 23 22.308 5.942 4.878
209 HD21 LEU 23 HD21 LEU 23 25.128 8.585 6.750
210 HD22 LEU 23 HD22 LEU 23 25.752 7.427 5.572
211 HD23 LEU 23 HD23 LEU 23 25.134 6.861 7.127
212 H VAL 24 HN VAL 24 19.494 7.871 4.156
213 HA VAL 24 HA VAL 24 18.682 10.061 5.885
214 HB VAL 24 HB VAL 24 17.018 7.825 4.646
215 HG11 VAL 24 HG11 VAL 24 15.889 8.715 6.649
216 HG12 VAL 24 HG12 VAL 24 15.037 9.241 5.194
217 HG13 VAL 24 HG13 VAL 24 16.088 10.368 6.055
218 HG21 VAL 24 HG21 VAL 24 18.022 9.271 2.936
219 HG22 VAL 24 HG22 VAL 24 17.391 10.702 3.752
220 HG23 VAL 24 HG23 VAL 24 16.281 9.540 3.030
221 H LYS 25 HN LYS 25 18.864 9.849 8.036
222 HA LYS 25 HA LYS 25 18.886 7.265 9.355
223 HB2 LYS 25 HB2 LYS 25 20.335 9.002 10.273
224 HB3 LYS 25 HB1 LYS 25 18.982 10.111 10.451
225 HG2 LYS 25 HG2 LYS 25 19.702 9.126 12.608
226 HG3 LYS 25 HG1 LYS 25 18.024 8.744 12.217
227 HD2 LYS 25 HD2 LYS 25 18.726 6.477 11.454
228 HD3 LYS 25 HD1 LYS 25 20.403 6.865 11.852
229 HE2 LYS 25 HE2 LYS 25 19.342 5.501 13.614
230 HE3 LYS 25 HE1 LYS 25 19.802 7.087 14.227
231 HZ1 LYS 25 HZ1 LYS 25 17.074 6.272 13.403
232 HZ2 LYS 25 HZ2 LYS 25 17.505 7.797 14.001
233 HZ3 LYS 25 HZ3 LYS 25 17.625 6.434 14.987
234 H TRP 26 HN TRP 26 17.026 6.243 9.539
235 HA TRP 26 HA TRP 26 14.452 7.582 9.598
236 HB2 TRP 26 HB2 TRP 26 15.054 4.602 9.898
237 HB3 TRP 26 HB1 TRP 26 13.518 5.338 9.452
238 HD1 TRP 26 HD1 TRP 26 16.922 4.372 7.985
239 HE1 TRP 26 HE1 TRP 26 16.816 4.525 5.425
240 HE3 TRP 26 HE3 TRP 26 12.309 6.545 7.467
241 HZ2 TRP 26 HZ2 TRP 26 15.048 5.428 3.442
242 HZ3 TRP 26 HZ3 TRP 26 11.480 7.009 5.190
243 HH2 TRP 26 HH2 TRP 26 12.823 6.461 3.216
244 H LYS 27 HN LYS 27 13.221 7.870 11.431
245 HA LYS 27 HA LYS 27 14.667 8.301 13.805
246 HB2 LYS 27 HB2 LYS 27 12.784 9.683 13.033
247 HB3 LYS 27 HB1 LYS 27 11.666 8.361 13.340
248 HG2 LYS 27 HG2 LYS 27 12.028 8.531 15.736
249 HG3 LYS 27 HG1 LYS 27 13.330 9.702 15.499
250 HD2 LYS 27 HD2 LYS 27 11.229 10.798 16.214
251 HD3 LYS 27 HD1 LYS 27 11.749 11.348 14.620
252 HE2 LYS 27 HE2 LYS 27 10.093 9.753 13.598
253 HE3 LYS 27 HE1 LYS 27 9.521 9.364 15.223
254 HZ1 LYS 27 HZ1 LYS 27 8.933 11.695 15.511
255 HZ2 LYS 27 HZ2 LYS 27 8.138 11.017 14.186
256 HZ3 LYS 27 HZ3 LYS 27 9.457 12.042 13.943
257 H GLY 28 HN GLY 28 12.039 5.935 13.177
258 HA2 GLY 28 HA2 GLY 28 12.226 4.786 15.846
259 HA3 GLY 28 HA1 GLY 28 11.161 4.278 14.550
260 H TRP 29 HN TRP 29 14.373 4.494 13.496
261 HA TRP 29 HA TRP 29 14.779 1.572 13.720
262 HB2 TRP 29 HB2 TRP 29 15.345 3.342 11.289
263 HB3 TRP 29 HB1 TRP 29 15.637 1.607 11.395
264 HD1 TRP 29 HD1 TRP 29 12.689 4.130 11.206
265 HE1 TRP 29 HE1 TRP 29 10.606 2.896 10.366
266 HE3 TRP 29 HE3 TRP 29 14.537 -0.644 11.130
267 HZ2 TRP 29 HZ2 TRP 29 9.832 0.264 9.755
268 HZ3 TRP 29 HZ3 TRP 29 13.052 -2.459 10.385
269 HH2 TRP 29 HH2 TRP 29 10.746 -2.015 9.708
270 HA PRO 30 HA PRO 30 18.658 2.745 15.579
271 HB2 PRO 30 HB2 PRO 30 20.124 0.421 15.127
272 HB3 PRO 30 HB1 PRO 30 18.923 0.611 16.406
273 HG2 PRO 30 HG2 PRO 30 18.659 -0.695 13.732
274 HG3 PRO 30 HG1 PRO 30 17.984 -1.200 15.290
275 HD2 PRO 30 HD2 PRO 30 16.492 0.039 13.373
276 HD3 PRO 30 HD1 PRO 30 16.169 0.242 15.109
277 HA PRO 31 HA PRO 31 21.349 5.004 13.002
278 HB2 PRO 31 HB2 PRO 31 23.604 3.321 14.130
279 HB3 PRO 31 HB1 PRO 31 23.548 5.072 13.846
280 HG2 PRO 31 HG2 PRO 31 23.076 4.131 16.283
281 HG3 PRO 31 HG1 PRO 31 22.079 5.453 15.638
282 HD2 PRO 31 HD2 PRO 31 21.371 2.572 16.041
283 HD3 PRO 31 HD1 PRO 31 20.324 4.007 16.083
284 H LYS 32 HN LYS 32 22.398 1.550 12.808
285 HA LYS 32 HA LYS 32 23.859 1.990 10.365
286 HB2 LYS 32 HB2 LYS 32 24.367 -0.380 10.391
287 HB3 LYS 32 HB1 LYS 32 24.534 0.264 12.018
288 HG2 LYS 32 HG2 LYS 32 22.360 -0.726 12.647
289 HG3 LYS 32 HG1 LYS 32 22.162 -1.338 11.001
290 HD2 LYS 32 HD2 LYS 32 24.285 -2.686 11.334
291 HD3 LYS 32 HD1 LYS 32 24.280 -2.174 13.026
292 HE2 LYS 32 HE2 LYS 32 22.035 -3.252 13.295
293 HE3 LYS 32 HE1 LYS 32 22.142 -3.830 11.629
294 HZ1 LYS 32 HZ1 LYS 32 24.174 -5.015 12.270
295 HZ2 LYS 32 HZ2 LYS 32 22.815 -5.536 13.121
296 HZ3 LYS 32 HZ3 LYS 32 23.943 -4.532 13.870
297 H TYR 33 HN TYR 33 20.544 1.300 11.017
298 HA TYR 33 HA TYR 33 19.938 0.180 8.392
299 HB2 TYR 33 HB2 TYR 33 18.204 0.925 10.780
300 HB3 TYR 33 HB1 TYR 33 17.508 0.409 9.244
301 HD1 TYR 33 HD2 TYR 33 19.539 -0.706 12.144
302 HD2 TYR 33 HD1 TYR 33 17.585 -1.932 8.549
303 HE1 TYR 33 HE2 TYR 33 19.766 -3.060 12.813
304 HE2 TYR 33 HE1 TYR 33 17.823 -4.282 9.215
305 HH TYR 33 HH TYR 33 18.696 -5.214 12.374
306 H SER 34 HN SER 34 20.770 3.229 9.245
307 HA SER 34 HA SER 34 18.978 4.787 7.661
308 HB2 SER 34 HB2 SER 34 20.840 6.468 7.617
309 HB3 SER 34 HB1 SER 34 20.498 5.892 9.249
310 HG SER 34 HG SER 34 22.508 5.330 9.338
311 H THR 35 HN THR 35 18.822 4.839 5.446
312 HA THR 35 HA THR 35 20.756 3.236 3.865
313 HB THR 35 HB THR 35 18.746 2.915 2.283
314 HG1 THR 35 HG1 THR 35 16.830 3.621 2.880
315 HG21 THR 35 HG21 THR 35 18.485 1.740 5.073
316 HG22 THR 35 HG22 THR 35 19.502 1.098 3.781
317 HG23 THR 35 HG23 THR 35 17.746 1.095 3.604
318 H TRP 36 HN TRP 36 21.550 4.041 1.953
319 HA TRP 36 HA TRP 36 21.430 6.884 1.431
320 HB2 TRP 36 HB2 TRP 36 22.818 4.617 -0.084
321 HB3 TRP 36 HB1 TRP 36 22.939 6.312 -0.535
322 HD1 TRP 36 HD1 TRP 36 24.242 3.797 2.030
323 HE1 TRP 36 HE1 TRP 36 26.228 4.848 3.272
324 HE3 TRP 36 HE3 TRP 36 23.845 8.586 0.273
325 HZ2 TRP 36 HZ2 TRP 36 27.466 7.378 3.492
326 HZ3 TRP 36 HZ3 TRP 36 25.467 10.268 1.055
327 HH2 TRP 36 HH2 TRP 36 27.239 9.674 2.633
328 H GLU 37 HN GLU 37 19.193 7.039 1.027
329 HA GLU 37 HA GLU 37 18.067 5.836 -1.393
330 HB2 GLU 37 HB2 GLU 37 16.811 7.608 0.740
331 HB3 GLU 37 HB1 GLU 37 15.944 6.799 -0.561
332 HG2 GLU 37 HG2 GLU 37 17.390 5.467 1.748
333 HG3 GLU 37 HG1 GLU 37 15.644 5.641 1.565
334 HA PRO 38 HA PRO 38 19.364 9.522 -3.583
335 HB2 PRO 38 HB2 PRO 38 18.203 9.123 -5.997
336 HB3 PRO 38 HB1 PRO 38 19.529 8.099 -5.426
337 HG2 PRO 38 HG2 PRO 38 16.557 7.559 -5.324
338 HG3 PRO 38 HG1 PRO 38 17.855 6.477 -5.872
339 HD2 PRO 38 HD2 PRO 38 16.792 6.291 -3.371
340 HD3 PRO 38 HD1 PRO 38 18.504 5.937 -3.693
341 H GLU 39 HN GLU 39 18.408 11.239 -5.031
342 HA GLU 39 HA GLU 39 16.845 12.966 -3.617
343 HB2 GLU 39 HB2 GLU 39 16.675 14.252 -5.776
344 HB3 GLU 39 HB1 GLU 39 18.299 13.687 -5.400
345 HG2 GLU 39 HG2 GLU 39 17.915 11.746 -6.968
346 HG3 GLU 39 HG1 GLU 39 16.385 12.488 -7.434
347 H GLU 40 HN GLU 40 15.712 10.575 -5.902
348 HA GLU 40 HA GLU 40 13.178 11.516 -6.585
349 HB2 GLU 40 HB2 GLU 40 14.415 9.690 -7.734
350 HB3 GLU 40 HB1 GLU 40 14.159 8.640 -6.348
351 HG2 GLU 40 HG2 GLU 40 12.631 8.055 -8.142
352 HG3 GLU 40 HG1 GLU 40 11.730 8.685 -6.760
353 H HIS 41 HN HIS 41 14.212 9.932 -3.621
354 HA HIS 41 HA HIS 41 11.566 8.923 -2.940
355 HB2 HIS 41 HB2 HIS 41 12.616 7.564 -1.407
356 HB3 HIS 41 HB1 HIS 41 13.984 7.865 -2.460
357 HD1 HIS 41 HD1 HIS 41 15.351 10.239 -1.517
358 HD2 HIS 41 HD2 HIS 41 13.321 7.821 1.165
359 HE1 HIS 41 HE1 HIS 41 16.326 10.765 0.728
360 HE2 HIS 41 HE2 HIS 41 14.934 9.430 2.337
361 H ILE 42 HN ILE 42 13.235 11.877 -2.384
362 HA ILE 42 HA ILE 42 12.355 12.523 0.266
363 HB ILE 42 HB ILE 42 13.195 14.425 -1.985
364 HG12 ILE 42 HG12 ILE 42 14.972 12.740 -1.273
365 HG13 ILE 42 HG11 ILE 42 15.434 14.424 -1.073
366 HG21 ILE 42 HG21 ILE 42 12.918 14.960 1.007
367 HG22 ILE 42 HG22 ILE 42 11.920 15.639 -0.282
368 HG23 ILE 42 HG23 ILE 42 13.621 16.083 -0.161
369 HD11 ILE 42 HD11 ILE 42 16.174 13.049 0.789
370 HD12 ILE 42 HD12 ILE 42 14.508 12.582 1.131
371 HD13 ILE 42 HD13 ILE 42 15.012 14.263 1.328
372 H LEU 43 HN LEU 43 10.289 13.068 0.895
373 HA LEU 43 HA LEU 43 8.317 13.866 -1.160
374 HB2 LEU 43 HB2 LEU 43 7.826 13.105 1.748
375 HB3 LEU 43 HB1 LEU 43 6.606 13.339 0.497
376 HG LEU 43 HG LEU 43 8.600 11.061 0.750
377 HD11 LEU 43 HD11 LEU 43 5.572 11.080 0.678
378 HD12 LEU 43 HD12 LEU 43 6.595 10.821 2.093
379 HD13 LEU 43 HD13 LEU 43 6.601 9.649 0.782
380 HD21 LEU 43 HD21 LEU 43 8.590 11.673 -1.588
381 HD22 LEU 43 HD22 LEU 43 6.826 11.656 -1.632
382 HD23 LEU 43 HD23 LEU 43 7.721 10.161 -1.366
383 H ASP 44 HN ASP 44 9.640 14.895 1.964
384 HA ASP 44 HA ASP 44 8.324 17.533 1.685
385 HB2 ASP 44 HB2 ASP 44 7.646 16.216 3.688
386 HB3 ASP 44 HB1 ASP 44 9.327 16.125 4.201
387 HA PRO 45 HA PRO 45 12.471 19.029 0.817
388 HB2 PRO 45 HB2 PRO 45 12.041 21.728 1.032
389 HB3 PRO 45 HB1 PRO 45 11.467 20.766 -0.338
390 HG2 PRO 45 HG2 PRO 45 9.954 21.640 2.125
391 HG3 PRO 45 HG1 PRO 45 9.446 21.715 0.424
392 HD2 PRO 45 HD2 PRO 45 8.606 19.741 2.063
393 HD3 PRO 45 HD1 PRO 45 8.939 19.432 0.342
394 H ARG 46 HN ARG 46 10.854 19.855 3.845
395 HA ARG 46 HA ARG 46 13.071 21.226 5.056
396 HB2 ARG 46 HB2 ARG 46 10.639 19.965 6.377
397 HB3 ARG 46 HB1 ARG 46 11.779 21.049 7.171
398 HG2 ARG 46 HG2 ARG 46 10.034 21.800 4.802
399 HG3 ARG 46 HG1 ARG 46 9.676 22.175 6.490
400 HD2 ARG 46 HD2 ARG 46 11.750 23.520 6.630
401 HD3 ARG 46 HD1 ARG 46 12.104 23.147 4.936
402 HE ARG 46 HE ARG 46 9.525 24.313 5.169
403 HH11 ARG 46 HH11 ARG 46 12.916 25.241 5.333
404 HH12 ARG 46 HH12 ARG 46 12.626 26.856 4.791
405 HH21 ARG 46 HH21 ARG 46 9.164 26.421 4.467
406 HH22 ARG 46 HH22 ARG 46 10.480 27.541 4.323
407 H LEU 47 HN LEU 47 12.339 17.898 4.593
408 HA LEU 47 HA LEU 47 13.877 16.650 6.580
409 HB2 LEU 47 HB2 LEU 47 12.411 15.397 5.107
410 HB3 LEU 47 HB1 LEU 47 13.306 15.902 3.688
411 HG LEU 47 HG LEU 47 15.170 14.454 4.251
412 HD11 LEU 47 HD11 LEU 47 15.284 14.644 6.645
413 HD12 LEU 47 HD12 LEU 47 15.131 12.940 6.221
414 HD13 LEU 47 HD13 LEU 47 13.734 13.824 6.837
415 HD21 LEU 47 HD21 LEU 47 12.553 12.939 4.559
416 HD22 LEU 47 HD22 LEU 47 14.104 12.239 4.085
417 HD23 LEU 47 HD23 LEU 47 13.310 13.410 3.034
418 H VAL 48 HN VAL 48 14.847 18.019 3.435
419 HA VAL 48 HA VAL 48 17.686 17.444 3.869
420 HB VAL 48 HB VAL 48 16.425 18.950 1.537
421 HG11 VAL 48 HG11 VAL 48 18.474 18.306 0.307
422 HG12 VAL 48 HG12 VAL 48 19.103 17.517 1.754
423 HG13 VAL 48 HG13 VAL 48 18.864 19.267 1.738
424 HG21 VAL 48 HG21 VAL 48 16.961 15.960 1.735
425 HG22 VAL 48 HG22 VAL 48 16.423 16.813 0.286
426 HG23 VAL 48 HG23 VAL 48 15.370 16.730 1.699
427 H MET 49 HN MET 49 15.461 20.163 3.861
428 HA MET 49 HA MET 49 17.362 22.282 3.811
429 HB2 MET 49 HB2 MET 49 14.398 22.133 4.429
430 HB3 MET 49 HB1 MET 49 15.277 23.640 4.671
431 HG2 MET 49 HG2 MET 49 15.179 22.153 2.036
432 HG3 MET 49 HG1 MET 49 14.073 23.452 2.481
433 HE1 MET 49 HE1 MET 49 16.528 26.530 2.757
434 HE2 MET 49 HE2 MET 49 16.045 25.472 4.081
435 HE3 MET 49 HE3 MET 49 14.851 25.997 2.891
436 H ALA 50 HN ALA 50 15.809 20.527 6.476
437 HA ALA 50 HA ALA 50 16.813 22.215 8.585
438 HB1 ALA 50 HB1 ALA 50 14.863 20.749 8.942
439 HB2 ALA 50 HB2 ALA 50 16.138 20.386 10.105
440 HB3 ALA 50 HB3 ALA 50 15.873 19.321 8.718
441 H TYR 51 HN TYR 51 18.052 19.532 6.744
442 HA TYR 51 HA TYR 51 20.296 18.865 8.410
443 HB2 TYR 51 HB2 TYR 51 19.493 17.113 7.029
444 HB3 TYR 51 HB1 TYR 51 19.396 18.138 5.606
445 HD1 TYR 51 HD2 TYR 51 21.919 16.569 7.935
446 HD2 TYR 51 HD1 TYR 51 21.130 18.069 4.009
447 HE1 TYR 51 HE2 TYR 51 24.099 15.725 7.162
448 HE2 TYR 51 HE1 TYR 51 23.302 17.235 3.249
449 HH TYR 51 HH TYR 51 25.469 16.639 4.184
450 H GLU 52 HN GLU 52 19.869 20.838 5.448
451 HA GLU 52 HA GLU 52 22.720 21.415 5.245
452 HB2 GLU 52 HB2 GLU 52 20.368 22.343 3.548
453 HB3 GLU 52 HB1 GLU 52 22.058 22.732 3.220
454 HG2 GLU 52 HG2 GLU 52 22.477 20.212 3.128
455 HG3 GLU 52 HG1 GLU 52 20.722 20.018 3.122
456 H GLU 53 HN GLU 53 19.742 23.345 5.625
457 HA GLU 53 HA GLU 53 21.304 25.687 6.458
458 HB2 GLU 53 HB2 GLU 53 18.300 25.467 5.985
459 HB3 GLU 53 HB1 GLU 53 19.243 26.945 6.150
460 HG2 GLU 53 HG2 GLU 53 19.383 24.957 3.862
461 HG3 GLU 53 HG1 GLU 53 18.646 26.556 3.814
462 H LYS 54 HN LYS 54 21.987 24.729 8.430
463 HA LYS 54 HA LYS 54 20.214 23.829 10.467
464 HB2 LYS 54 HB2 LYS 54 23.067 24.857 10.817
465 HB3 LYS 54 HB1 LYS 54 22.158 23.893 11.975
466 HG2 LYS 54 HG2 LYS 54 23.167 22.989 9.260
467 HG3 LYS 54 HG1 LYS 54 23.802 22.507 10.833
468 HD2 LYS 54 HD2 LYS 54 21.055 21.833 9.706
469 HD3 LYS 54 HD1 LYS 54 22.409 20.721 9.873
470 HE2 LYS 54 HE2 LYS 54 22.271 20.915 12.330
471 HE3 LYS 54 HE1 LYS 54 20.934 22.057 12.174
472 HZ1 LYS 54 HZ1 LYS 54 20.923 19.232 11.272
473 HZ2 LYS 54 HZ2 LYS 54 19.640 20.320 11.111
474 HZ3 LYS 54 HZ3 LYS 54 20.151 19.840 12.648
475 H GLU 55 HN GLU 55 19.438 24.873 12.271
476 HA GLU 55 HA GLU 55 19.074 27.726 12.213
477 HB2 GLU 55 HB2 GLU 55 18.409 25.714 14.416
478 HB3 GLU 55 HB1 GLU 55 17.776 27.358 14.289
479 HG2 GLU 55 HG2 GLU 55 16.641 26.768 12.182
480 HG3 GLU 55 HG1 GLU 55 17.290 25.133 12.278
481 H GLU 56 HN GLU 56 21.479 25.651 13.386
482 HA GLU 56 HA GLU 56 22.770 27.138 15.389
483 HB2 GLU 56 HB2 GLU 56 23.996 25.354 13.227
484 HB3 GLU 56 HB1 GLU 56 24.788 25.852 14.722
485 HG2 GLU 56 HG2 GLU 56 23.230 24.556 16.054
486 HG3 GLU 56 HG1 GLU 56 22.256 24.183 14.633
487 H1 ALA 1 HT1 ALA 1 -0.187 17.994 11.841
488 H2 ALA 1 HT2 ALA 1 -1.404 16.851 11.607
489 H3 ALA 1 HT3 ALA 1 -1.797 18.405 12.134
490 HA ALA 1 HA ALA 1 -2.333 18.109 9.818
491 HB1 ALA 1 HB1 ALA 1 -1.691 20.348 10.662
492 HB2 ALA 1 HB2 ALA 1 -1.209 20.123 8.979
493 HB3 ALA 1 HB3 ALA 1 -0.003 20.007 10.264
494 H ARG 2 HN ARG 2 -1.124 18.392 7.585
495 HA ARG 2 HA ARG 2 0.321 15.928 7.181
496 HB2 ARG 2 HB2 ARG 2 0.188 16.481 4.767
497 HB3 ARG 2 HB1 ARG 2 -1.378 16.542 5.564
498 HG2 ARG 2 HG2 ARG 2 -1.351 18.977 5.564
499 HG3 ARG 2 HG1 ARG 2 0.301 18.998 4.940
500 HD2 ARG 2 HD2 ARG 2 -1.380 19.474 3.176
501 HD3 ARG 2 HD1 ARG 2 -0.441 18.020 2.827
502 HE ARG 2 HE ARG 2 -2.922 17.474 4.200
503 HH11 ARG 2 HH11 ARG 2 -1.541 18.020 1.020
504 HH12 ARG 2 HH12 ARG 2 -2.795 17.155 0.198
505 HH21 ARG 2 HH21 ARG 2 -4.566 16.342 3.103
506 HH22 ARG 2 HH22 ARG 2 -4.511 16.219 1.371
507 H THR 3 HN THR 3 1.388 19.032 7.978
508 HA THR 3 HA THR 3 3.892 19.133 6.623
509 HB THR 3 HB THR 3 3.066 21.171 7.612
510 HG1 THR 3 HG1 THR 3 5.305 21.028 7.578
511 HG21 THR 3 HG21 THR 3 1.762 20.286 9.509
512 HG22 THR 3 HG22 THR 3 2.857 21.566 10.037
513 HG23 THR 3 HG23 THR 3 3.257 19.878 10.358
514 H LYS 4 HN LYS 4 4.833 17.173 6.656
515 HA LYS 4 HA LYS 4 6.063 16.178 9.116
516 HB2 LYS 4 HB2 LYS 4 3.870 15.040 9.097
517 HB3 LYS 4 HB1 LYS 4 4.116 14.522 7.436
518 HG2 LYS 4 HG2 LYS 4 4.485 12.651 8.948
519 HG3 LYS 4 HG1 LYS 4 5.998 13.094 8.158
520 HD2 LYS 4 HD2 LYS 4 6.432 12.606 10.506
521 HD3 LYS 4 HD1 LYS 4 6.688 14.327 10.217
522 HE2 LYS 4 HE2 LYS 4 4.459 14.812 11.189
523 HE3 LYS 4 HE1 LYS 4 4.211 13.088 11.473
524 HZ1 LYS 4 HZ1 LYS 4 4.943 14.177 13.466
525 HZ2 LYS 4 HZ2 LYS 4 6.324 14.773 12.695
526 HZ3 LYS 4 HZ3 LYS 4 6.142 13.113 12.938
527 H GLN 5 HN GLN 5 8.087 15.655 8.642
528 HA GLN 5 HA GLN 5 9.093 15.445 5.968
529 HB2 GLN 5 HB2 GLN 5 10.424 14.938 8.664
530 HB3 GLN 5 HB1 GLN 5 11.274 14.840 7.125
531 HG2 GLN 5 HG2 GLN 5 11.746 16.984 8.086
532 HG3 GLN 5 HG1 GLN 5 10.693 17.239 6.699
533 HE21 GLN 5 HE21 GLN 5 9.667 19.100 7.264
534 HE22 GLN 5 HE22 GLN 5 8.741 19.330 8.703
535 H THR 6 HN THR 6 8.411 13.776 4.825
536 HA THR 6 HA THR 6 8.743 11.028 5.846
537 HB THR 6 HB THR 6 6.843 10.489 4.120
538 HG1 THR 6 HG1 THR 6 6.259 13.237 4.636
539 HG21 THR 6 HG21 THR 6 5.072 10.850 5.795
540 HG22 THR 6 HG22 THR 6 6.133 11.929 6.700
541 HG23 THR 6 HG23 THR 6 6.534 10.215 6.557
542 H ALA 7 HN ALA 7 8.970 9.428 4.095
543 HA ALA 7 HA ALA 7 10.372 10.281 1.714
544 HB1 ALA 7 HB1 ALA 7 11.892 8.963 3.995
545 HB2 ALA 7 HB2 ALA 7 12.075 10.634 3.462
546 HB3 ALA 7 HB3 ALA 7 12.532 9.315 2.393
547 H ARG 8 HN ARG 8 9.896 8.778 0.193
548 HA ARG 8 HA ARG 8 8.825 6.175 0.671
549 HB2 ARG 8 HB2 ARG 8 10.060 7.403 -1.834
550 HB3 ARG 8 HB1 ARG 8 9.225 5.854 -1.815
551 HG2 ARG 8 HG2 ARG 8 7.848 8.404 -0.944
552 HG3 ARG 8 HG1 ARG 8 7.934 7.935 -2.642
553 HD2 ARG 8 HD2 ARG 8 6.679 5.924 -2.223
554 HD3 ARG 8 HD1 ARG 8 6.785 6.157 -0.477
555 HE ARG 8 HE ARG 8 5.262 7.992 -0.641
556 HH11 ARG 8 HH11 ARG 8 5.561 6.263 -3.696
557 HH12 ARG 8 HH12 ARG 8 4.000 6.759 -4.258
558 HH21 ARG 8 HH21 ARG 8 3.244 8.649 -1.405
559 HH22 ARG 8 HH22 ARG 8 2.695 8.131 -2.968
560 H M3L 9 HN M3L 9 9.874 4.092 0.205
561 HA M3L 9 HA M3L 9 12.837 4.158 0.286
562 HB2 M3L 9 HB2 M3L 9 10.912 1.949 1.123
563 HB3 M3L 9 HB1 M3L 9 12.656 1.723 0.975
564 HG2 M3L 9 HG2 M3L 9 12.913 3.655 2.650
565 HG3 M3L 9 HG1 M3L 9 11.173 3.504 2.937
566 HD2 M3L 9 HD2 M3L 9 11.460 1.197 3.707
567 HD3 M3L 9 HD1 M3L 9 13.177 1.235 3.291
568 HE2 M3L 9 HE2 M3L 9 13.407 3.164 4.967
569 HE3 M3L 9 HE1 M3L 9 11.768 2.795 5.489
570 HM11 M3L 9 HH33 M3L 9 13.897 1.237 8.098
571 HM12 M3L 9 HH31 M3L 9 12.572 2.370 7.808
572 HM13 M3L 9 HH32 M3L 9 14.211 2.775 7.286
573 HM21 M3L 9 HH11 M3L 9 12.047 -0.337 5.281
574 HM22 M3L 9 HH12 M3L 9 11.293 0.536 6.618
575 HM23 M3L 9 HH13 M3L 9 12.632 -0.573 6.932
576 HM31 M3L 9 HH21 M3L 9 14.973 0.036 6.169
577 HM32 M3L 9 HH22 M3L 9 15.257 1.571 5.345
578 HM33 M3L 9 HH23 M3L 9 14.378 0.279 4.526
579 H SER 10 HN SER 10 13.795 3.837 -1.552
580 HA SER 10 HA SER 10 12.632 2.798 -3.936
581 HB2 SER 10 HB2 SER 10 14.512 4.457 -3.928
582 HB3 SER 10 HB1 SER 10 15.578 3.239 -3.234
583 HG SER 10 HG SER 10 14.338 3.175 -5.797
584 H THR 11 HN THR 11 11.815 0.783 -3.456
585 HA THR 11 HA THR 11 13.294 -1.259 -2.064
586 HB THR 11 HB THR 11 10.649 -1.546 -3.547
587 HG1 THR 11 HG1 THR 11 11.089 0.109 -1.600
588 HG21 THR 11 HG21 THR 11 10.187 -3.335 -1.909
589 HG22 THR 11 HG22 THR 11 11.769 -3.077 -1.170
590 HG23 THR 11 HG23 THR 11 11.656 -3.689 -2.822
591 H GLY 12 HN GLY 12 15.123 -1.387 -3.496
592 HA2 GLY 12 HA2 GLY 12 16.385 -2.656 -4.936
593 HA3 GLY 12 HA1 GLY 12 14.934 -3.494 -5.455
594 H GLY 13 HN GLY 13 13.477 -2.263 -6.928
595 HA2 GLY 13 HA2 GLY 13 14.800 -1.500 -9.282
596 HA3 GLY 13 HA1 GLY 13 13.085 -1.326 -8.965
597 H LYS 14 HN LYS 14 16.058 0.267 -9.292
598 HA LYS 14 HA LYS 14 14.863 2.918 -8.707
599 HB2 LYS 14 HB2 LYS 14 17.224 3.669 -8.150
600 HB3 LYS 14 HB1 LYS 14 16.537 2.523 -7.014
601 HG2 LYS 14 HG2 LYS 14 18.716 1.732 -7.231
602 HG3 LYS 14 HG1 LYS 14 17.844 0.715 -8.381
603 HD2 LYS 14 HD2 LYS 14 18.570 2.396 -10.186
604 HD3 LYS 14 HD1 LYS 14 19.644 3.097 -8.972
605 HE2 LYS 14 HE2 LYS 14 20.810 0.937 -8.764
606 HE3 LYS 14 HE1 LYS 14 19.705 0.220 -9.941
607 HZ1 LYS 14 HZ1 LYS 14 21.652 2.403 -10.430
608 HZ2 LYS 14 HZ2 LYS 14 20.496 1.898 -11.553
609 HZ3 LYS 14 HZ3 LYS 14 21.704 0.831 -11.046
610 H ALA 15 HN ALA 15 16.589 4.596 -9.904
611 HA ALA 15 HA ALA 15 16.289 3.972 -12.755
612 HB1 ALA 15 HB1 ALA 15 15.366 6.104 -11.932
613 HB2 ALA 15 HB2 ALA 15 16.659 6.397 -13.095
614 HB3 ALA 15 HB3 ALA 15 16.970 6.596 -11.370
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 11.789 0.315 -2.039
2 H2 GLY 1 HT2 GLY 1 10.344 0.570 -1.200
3 H3 GLY 1 HT3 GLY 1 11.482 1.812 -1.320
4 HA2 GLY 1 HA1 GLY 1 11.165 1.929 -3.699
5 HA3 GLY 1 HA2 GLY 1 9.969 0.646 -3.582
6 H GLU 2 HN GLU 2 7.936 1.103 -2.689
7 HA GLU 2 HA GLU 2 7.050 3.886 -2.830
8 HB2 GLU 2 HB2 GLU 2 5.834 1.915 -3.909
9 HB3 GLU 2 HB1 GLU 2 5.430 1.352 -2.296
10 HG2 GLU 2 HG2 GLU 2 3.518 2.482 -3.191
11 HG3 GLU 2 HG1 GLU 2 4.184 3.483 -1.897
12 H GLN 3 HN GLN 3 8.166 1.806 -0.428
13 HA GLN 3 HA GLN 3 6.238 2.165 1.639
14 HB2 GLN 3 HB2 GLN 3 9.055 1.000 1.724
15 HB3 GLN 3 HB1 GLN 3 7.923 0.952 3.071
16 HG2 GLN 3 HG2 GLN 3 7.830 -1.184 2.020
17 HG3 GLN 3 HG1 GLN 3 6.341 -0.353 1.589
18 HE21 GLN 3 HE21 GLN 3 5.957 -1.544 -0.285
19 HE22 GLN 3 HE22 GLN 3 6.967 -1.469 -1.683
20 H VAL 4 HN VAL 4 5.945 4.156 2.419
21 HA VAL 4 HA VAL 4 8.050 6.021 3.009
22 HB VAL 4 HB VAL 4 6.305 7.412 4.080
23 HG11 VAL 4 HG11 VAL 4 4.853 7.763 2.102
24 HG12 VAL 4 HG12 VAL 4 5.410 6.228 1.427
25 HG13 VAL 4 HG13 VAL 4 6.550 7.558 1.659
26 HG21 VAL 4 HG21 VAL 4 4.938 5.678 5.177
27 HG22 VAL 4 HG22 VAL 4 4.392 5.080 3.608
28 HG23 VAL 4 HG23 VAL 4 3.921 6.695 4.151
29 H PHE 5 HN PHE 5 9.081 6.381 4.923
30 HA PHE 5 HA PHE 5 8.063 5.142 7.403
31 HB2 PHE 5 HB2 PHE 5 10.920 5.005 6.333
32 HB3 PHE 5 HB1 PHE 5 10.589 4.875 8.055
33 HD1 PHE 5 HD2 PHE 5 9.926 3.252 4.758
34 HD2 PHE 5 HD1 PHE 5 9.843 2.809 9.011
35 HE1 PHE 5 HE2 PHE 5 9.491 0.846 4.502
36 HE2 PHE 5 HE1 PHE 5 9.411 0.404 8.743
37 HZ PHE 5 HZ PHE 5 9.230 -0.579 6.493
38 H ALA 6 HN ALA 6 8.200 6.397 9.167
39 HA ALA 6 HA ALA 6 8.478 9.209 8.966
40 HB1 ALA 6 HB1 ALA 6 8.165 9.183 11.414
41 HB2 ALA 6 HB2 ALA 6 8.383 7.431 11.428
42 HB3 ALA 6 HB3 ALA 6 6.991 8.144 10.606
43 H VAL 7 HN VAL 7 10.359 10.253 8.764
44 HA VAL 7 HA VAL 7 12.889 8.924 9.415
45 HB VAL 7 HB VAL 7 13.960 10.633 8.060
46 HG11 VAL 7 HG11 VAL 7 12.907 8.797 6.812
47 HG12 VAL 7 HG12 VAL 7 12.853 10.286 5.874
48 HG13 VAL 7 HG13 VAL 7 11.398 9.706 6.692
49 HG21 VAL 7 HG21 VAL 7 12.670 12.491 7.019
50 HG22 VAL 7 HG22 VAL 7 12.714 12.603 8.774
51 HG23 VAL 7 HG23 VAL 7 11.259 12.024 7.968
52 H GLU 8 HN GLU 8 14.523 9.881 10.671
53 HA GLU 8 HA GLU 8 13.757 11.817 12.709
54 HB2 GLU 8 HB2 GLU 8 15.208 9.902 13.309
55 HB3 GLU 8 HB1 GLU 8 16.419 10.424 12.137
56 HG2 GLU 8 HG2 GLU 8 16.814 12.475 13.438
57 HG3 GLU 8 HG1 GLU 8 15.554 12.002 14.581
58 H SER 9 HN SER 9 16.531 11.610 10.454
59 HA SER 9 HA SER 9 16.173 14.231 9.308
60 HB2 SER 9 HB2 SER 9 18.537 13.758 11.201
61 HB3 SER 9 HB1 SER 9 18.409 15.133 10.101
62 HG SER 9 HG SER 9 16.186 15.173 11.441
63 H ILE 10 HN ILE 10 18.317 14.702 7.928
64 HA ILE 10 HA ILE 10 19.082 12.317 6.446
65 HB ILE 10 HB ILE 10 20.152 15.165 6.135
66 HG12 ILE 10 HG12 ILE 10 17.698 15.116 5.796
67 HG13 ILE 10 HG11 ILE 10 18.556 15.508 4.317
68 HG21 ILE 10 HG21 ILE 10 21.622 13.488 5.118
69 HG22 ILE 10 HG22 ILE 10 20.838 14.452 3.869
70 HG23 ILE 10 HG23 ILE 10 20.268 12.814 4.203
71 HD11 ILE 10 HD11 ILE 10 17.317 12.839 4.998
72 HD12 ILE 10 HD12 ILE 10 18.192 13.216 3.510
73 HD13 ILE 10 HD13 ILE 10 16.683 14.048 3.882
74 H ARG 11 HN ARG 11 20.725 11.085 7.067
75 HA ARG 11 HA ARG 11 22.546 11.691 9.190
76 HB2 ARG 11 HB2 ARG 11 21.533 9.369 8.392
77 HB3 ARG 11 HB1 ARG 11 22.880 9.341 7.273
78 HG2 ARG 11 HG2 ARG 11 23.122 9.450 10.306
79 HG3 ARG 11 HG1 ARG 11 23.232 7.981 9.337
80 HD2 ARG 11 HD2 ARG 11 25.251 8.960 8.204
81 HD3 ARG 11 HD1 ARG 11 25.145 10.342 9.300
82 HE ARG 11 HE ARG 11 25.664 7.545 10.143
83 HH11 ARG 11 HH11 ARG 11 26.049 10.990 10.698
84 HH12 ARG 11 HH12 ARG 11 27.141 10.765 12.022
85 HH21 ARG 11 HH21 ARG 11 27.080 7.289 11.913
86 HH22 ARG 11 HH22 ARG 11 27.720 8.695 12.707
87 H LYS 12 HN LYS 12 23.100 10.922 5.704
88 HA LYS 12 HA LYS 12 25.234 12.953 5.532
89 HB2 LYS 12 HB2 LYS 12 25.520 10.025 4.731
90 HB3 LYS 12 HB1 LYS 12 26.565 11.282 4.070
91 HG2 LYS 12 HG2 LYS 12 27.379 11.813 6.330
92 HG3 LYS 12 HG1 LYS 12 26.305 10.588 7.015
93 HD2 LYS 12 HD2 LYS 12 27.523 8.810 5.867
94 HD3 LYS 12 HD1 LYS 12 28.524 9.994 5.017
95 HE2 LYS 12 HE2 LYS 12 29.708 8.953 6.936
96 HE3 LYS 12 HE1 LYS 12 29.540 10.698 7.125
97 HZ1 LYS 12 HZ1 LYS 12 27.752 8.698 8.389
98 HZ2 LYS 12 HZ2 LYS 12 27.747 10.369 8.653
99 HZ3 LYS 12 HZ3 LYS 12 29.061 9.434 9.159
100 H LYS 13 HN LYS 13 25.939 13.127 3.100
101 HA LYS 13 HA LYS 13 23.723 13.005 1.222
102 HB2 LYS 13 HB2 LYS 13 23.064 14.948 2.570
103 HB3 LYS 13 HB1 LYS 13 24.672 15.645 2.433
104 HG2 LYS 13 HG2 LYS 13 24.334 16.002 0.022
105 HG3 LYS 13 HG1 LYS 13 22.735 15.262 0.128
106 HD2 LYS 13 HD2 LYS 13 22.043 17.083 1.716
107 HD3 LYS 13 HD1 LYS 13 23.633 17.824 1.509
108 HE2 LYS 13 HE2 LYS 13 21.575 17.417 -0.692
109 HE3 LYS 13 HE1 LYS 13 21.925 18.940 0.128
110 HZ1 LYS 13 HZ1 LYS 13 23.809 17.394 -1.576
111 HZ2 LYS 13 HZ2 LYS 13 24.196 18.805 -0.733
112 HZ3 LYS 13 HZ3 LYS 13 23.055 18.856 -1.974
113 H ARG 14 HN ARG 14 24.562 12.832 -0.774
114 HA ARG 14 HA ARG 14 27.007 14.035 -1.697
115 HB2 ARG 14 HB2 ARG 14 28.268 11.953 -2.106
116 HB3 ARG 14 HB1 ARG 14 27.951 12.136 -0.381
117 HG2 ARG 14 HG2 ARG 14 26.148 10.492 -0.490
118 HG3 ARG 14 HG1 ARG 14 26.327 10.361 -2.244
119 HD2 ARG 14 HD2 ARG 14 28.464 9.632 -0.209
120 HD3 ARG 14 HD1 ARG 14 27.387 8.479 -1.011
121 HE ARG 14 HE ARG 14 29.215 10.215 -2.566
122 HH11 ARG 14 HH11 ARG 14 28.097 6.993 -1.771
123 HH12 ARG 14 HH12 ARG 14 29.045 6.244 -3.008
124 HH21 ARG 14 HH21 ARG 14 30.427 9.216 -4.188
125 HH22 ARG 14 HH22 ARG 14 30.364 7.494 -4.373
126 H VAL 15 HN VAL 15 27.582 12.760 -3.924
127 HA VAL 15 HA VAL 15 25.118 11.817 -5.266
128 HB VAL 15 HB VAL 15 25.562 14.108 -6.061
129 HG11 VAL 15 HG11 VAL 15 27.618 14.717 -7.300
130 HG12 VAL 15 HG12 VAL 15 28.306 13.133 -6.936
131 HG13 VAL 15 HG13 VAL 15 27.974 14.270 -5.628
132 HG21 VAL 15 HG21 VAL 15 25.624 13.678 -8.504
133 HG22 VAL 15 HG22 VAL 15 24.585 12.525 -7.664
134 HG23 VAL 15 HG23 VAL 15 26.194 12.035 -8.197
135 H ARG 16 HN ARG 16 25.404 10.097 -6.669
136 HA ARG 16 HA ARG 16 28.043 8.941 -7.179
137 HB2 ARG 16 HB2 ARG 16 27.186 7.966 -4.964
138 HB3 ARG 16 HB1 ARG 16 25.824 7.301 -5.857
139 HG2 ARG 16 HG2 ARG 16 27.709 6.169 -7.333
140 HG3 ARG 16 HG1 ARG 16 28.740 6.488 -5.935
141 HD2 ARG 16 HD2 ARG 16 26.305 4.682 -6.129
142 HD3 ARG 16 HD1 ARG 16 27.944 4.268 -5.635
143 HE ARG 16 HE ARG 16 26.232 6.020 -4.010
144 HH11 ARG 16 HH11 ARG 16 28.269 3.188 -4.144
145 HH12 ARG 16 HH12 ARG 16 28.129 2.877 -2.448
146 HH21 ARG 16 HH21 ARG 16 25.995 5.584 -1.830
147 HH22 ARG 16 HH22 ARG 16 26.825 4.228 -1.132
148 H LYS 17 HN LYS 17 27.940 8.736 -9.345
149 HA LYS 17 HA LYS 17 27.417 7.964 -11.403
150 HB2 LYS 17 HB2 LYS 17 25.493 6.122 -9.914
151 HB3 LYS 17 HB1 LYS 17 26.039 5.903 -11.580
152 HG2 LYS 17 HG2 LYS 17 28.357 5.577 -10.802
153 HG3 LYS 17 HG1 LYS 17 27.858 5.903 -9.143
154 HD2 LYS 17 HD2 LYS 17 28.162 3.510 -9.473
155 HD3 LYS 17 HD1 LYS 17 26.459 3.855 -9.157
156 HE2 LYS 17 HE2 LYS 17 25.935 3.608 -11.526
157 HE3 LYS 17 HE1 LYS 17 27.649 3.444 -11.923
158 HZ1 LYS 17 HZ1 LYS 17 27.730 1.397 -10.711
159 HZ2 LYS 17 HZ2 LYS 17 26.493 1.321 -11.858
160 HZ3 LYS 17 HZ3 LYS 17 26.115 1.558 -10.230
161 H GLY 18 HN GLY 18 26.063 10.271 -10.398
162 HA2 GLY 18 HA2 GLY 18 24.674 11.794 -11.521
163 HA3 GLY 18 HA1 GLY 18 23.847 10.466 -12.311
164 H LYS 19 HN LYS 19 23.822 9.312 -9.357
165 HA LYS 19 HA LYS 19 21.143 10.368 -8.735
166 HB2 LYS 19 HB2 LYS 19 22.611 7.889 -7.699
167 HB3 LYS 19 HB1 LYS 19 20.942 8.331 -7.316
168 HG2 LYS 19 HG2 LYS 19 21.959 7.777 -10.115
169 HG3 LYS 19 HG1 LYS 19 21.190 6.560 -9.088
170 HD2 LYS 19 HD2 LYS 19 19.096 7.811 -9.086
171 HD3 LYS 19 HD1 LYS 19 19.850 9.170 -9.929
172 HE2 LYS 19 HE2 LYS 19 18.440 7.723 -11.410
173 HE3 LYS 19 HE1 LYS 19 20.117 7.848 -11.942
174 HZ1 LYS 19 HZ1 LYS 19 19.179 5.575 -12.030
175 HZ2 LYS 19 HZ2 LYS 19 19.065 5.581 -10.345
176 HZ3 LYS 19 HZ3 LYS 19 20.578 5.696 -11.088
177 H VAL 20 HN VAL 20 21.189 12.044 -7.368
178 HA VAL 20 HA VAL 20 23.273 12.473 -5.425
179 HB VAL 20 HB VAL 20 20.584 13.904 -5.699
180 HG11 VAL 20 HG11 VAL 20 23.088 14.753 -4.179
181 HG12 VAL 20 HG12 VAL 20 21.554 14.252 -3.463
182 HG13 VAL 20 HG13 VAL 20 21.642 15.743 -4.402
183 HG21 VAL 20 HG21 VAL 20 23.298 14.695 -6.849
184 HG22 VAL 20 HG22 VAL 20 21.828 15.671 -6.923
185 HG23 VAL 20 HG23 VAL 20 21.901 14.126 -7.773
186 H GLU 21 HN GLU 21 23.380 11.275 -3.617
187 HA GLU 21 HA GLU 21 20.994 9.817 -2.693
188 HB2 GLU 21 HB2 GLU 21 23.923 9.423 -1.947
189 HB3 GLU 21 HB1 GLU 21 22.575 8.384 -1.479
190 HG2 GLU 21 HG2 GLU 21 22.264 7.744 -3.836
191 HG3 GLU 21 HG1 GLU 21 23.627 8.775 -4.301
192 H TYR 22 HN TYR 22 20.115 10.206 -0.772
193 HA TYR 22 HA TYR 22 21.614 11.682 1.302
194 HB2 TYR 22 HB2 TYR 22 18.583 11.351 1.031
195 HB3 TYR 22 HB1 TYR 22 19.417 12.261 2.288
196 HD1 TYR 22 HD1 TYR 22 21.463 13.419 0.037
197 HD2 TYR 22 HD2 TYR 22 17.230 13.367 0.538
198 HE1 TYR 22 HE1 TYR 22 21.278 15.426 -1.347
199 HE2 TYR 22 HE2 TYR 22 17.044 15.382 -0.840
200 HH TYR 22 HH TYR 22 18.363 17.237 -1.560
201 H LEU 23 HN LEU 23 22.567 10.122 2.481
202 HA LEU 23 HA LEU 23 21.437 7.627 3.293
203 HB2 LEU 23 HB2 LEU 23 23.891 8.223 3.430
204 HB3 LEU 23 HB1 LEU 23 23.520 9.387 4.690
205 HG LEU 23 HG LEU 23 22.763 7.509 6.157
206 HD11 LEU 23 HD11 LEU 23 23.772 5.702 3.950
207 HD12 LEU 23 HD12 LEU 23 22.097 5.892 4.473
208 HD13 LEU 23 HD13 LEU 23 23.282 5.193 5.569
209 HD21 LEU 23 HD21 LEU 23 25.061 8.355 6.347
210 HD22 LEU 23 HD22 LEU 23 25.606 7.199 5.128
211 HD23 LEU 23 HD23 LEU 23 24.991 6.626 6.682
212 H VAL 24 HN VAL 24 19.428 7.761 4.243
213 HA VAL 24 HA VAL 24 18.814 10.068 5.927
214 HB VAL 24 HB VAL 24 16.977 8.036 4.612
215 HG11 VAL 24 HG11 VAL 24 15.071 9.424 5.391
216 HG12 VAL 24 HG12 VAL 24 16.181 10.428 6.327
217 HG13 VAL 24 HG13 VAL 24 15.957 8.730 6.753
218 HG21 VAL 24 HG21 VAL 24 17.489 10.976 4.058
219 HG22 VAL 24 HG22 VAL 24 16.248 10.004 3.276
220 HG23 VAL 24 HG23 VAL 24 17.951 9.613 3.035
221 H LYS 25 HN LYS 25 18.856 9.901 8.057
222 HA LYS 25 HA LYS 25 18.906 7.363 9.441
223 HB2 LYS 25 HB2 LYS 25 20.087 9.659 10.106
224 HB3 LYS 25 HB1 LYS 25 18.542 10.040 10.843
225 HG2 LYS 25 HG2 LYS 25 20.399 7.738 11.573
226 HG3 LYS 25 HG1 LYS 25 20.079 9.191 12.522
227 HD2 LYS 25 HD2 LYS 25 17.678 8.437 12.728
228 HD3 LYS 25 HD1 LYS 25 18.131 6.934 11.922
229 HE2 LYS 25 HE2 LYS 25 18.064 6.582 14.319
230 HE3 LYS 25 HE1 LYS 25 19.733 6.464 13.765
231 HZ1 LYS 25 HZ1 LYS 25 19.644 7.732 15.773
232 HZ2 LYS 25 HZ2 LYS 25 18.483 8.779 15.137
233 HZ3 LYS 25 HZ3 LYS 25 20.045 8.779 14.507
234 H TRP 26 HN TRP 26 17.118 6.288 9.927
235 HA TRP 26 HA TRP 26 14.464 7.460 9.627
236 HB2 TRP 26 HB2 TRP 26 15.250 4.558 10.180
237 HB3 TRP 26 HB1 TRP 26 13.695 5.145 9.585
238 HD1 TRP 26 HD1 TRP 26 17.183 4.225 8.404
239 HE1 TRP 26 HE1 TRP 26 17.298 4.387 5.840
240 HE3 TRP 26 HE3 TRP 26 12.691 6.475 7.514
241 HZ2 TRP 26 HZ2 TRP 26 15.733 5.366 3.729
242 HZ3 TRP 26 HZ3 TRP 26 12.071 7.003 5.190
243 HH2 TRP 26 HH2 TRP 26 13.563 6.459 3.329
244 H LYS 27 HN LYS 27 12.907 7.504 11.321
245 HA LYS 27 HA LYS 27 14.011 8.409 13.753
246 HB2 LYS 27 HB2 LYS 27 11.935 9.292 12.759
247 HB3 LYS 27 HB1 LYS 27 11.125 7.771 13.072
248 HG2 LYS 27 HG2 LYS 27 10.360 9.285 14.722
249 HG3 LYS 27 HG1 LYS 27 11.469 8.197 15.553
250 HD2 LYS 27 HD2 LYS 27 12.454 10.868 14.497
251 HD3 LYS 27 HD1 LYS 27 11.563 10.800 16.014
252 HE2 LYS 27 HE2 LYS 27 13.285 9.268 16.943
253 HE3 LYS 27 HE1 LYS 27 14.172 9.348 15.421
254 HZ1 LYS 27 HZ1 LYS 27 14.324 11.787 15.783
255 HZ2 LYS 27 HZ2 LYS 27 15.161 10.854 16.917
256 HZ3 LYS 27 HZ3 LYS 27 13.678 11.551 17.328
257 H GLY 28 HN GLY 28 12.107 5.451 13.070
258 HA2 GLY 28 HA2 GLY 28 12.305 4.566 15.861
259 HA3 GLY 28 HA1 GLY 28 11.347 3.838 14.591
260 H TRP 29 HN TRP 29 14.516 4.408 13.545
261 HA TRP 29 HA TRP 29 15.356 1.628 14.126
262 HB2 TRP 29 HB2 TRP 29 15.629 3.095 11.450
263 HB3 TRP 29 HB1 TRP 29 16.220 1.474 11.792
264 HD1 TRP 29 HD1 TRP 29 12.800 3.346 11.606
265 HE1 TRP 29 HE1 TRP 29 11.027 1.716 10.724
266 HE3 TRP 29 HE3 TRP 29 15.656 -0.887 11.286
267 HZ2 TRP 29 HZ2 TRP 29 10.842 -0.979 9.977
268 HZ3 TRP 29 HZ3 TRP 29 14.603 -2.949 10.447
269 HH2 TRP 29 HH2 TRP 29 12.241 -2.997 9.803
270 HA PRO 30 HA PRO 30 19.084 3.753 15.537
271 HB2 PRO 30 HB2 PRO 30 20.872 1.634 15.476
272 HB3 PRO 30 HB1 PRO 30 19.664 1.866 16.747
273 HG2 PRO 30 HG2 PRO 30 19.559 0.088 14.328
274 HG3 PRO 30 HG1 PRO 30 19.074 -0.268 15.997
275 HD2 PRO 30 HD2 PRO 30 17.255 0.358 14.078
276 HD3 PRO 30 HD1 PRO 30 17.025 0.839 15.774
277 HA PRO 31 HA PRO 31 21.108 5.384 12.025
278 HB2 PRO 31 HB2 PRO 31 23.783 5.698 12.788
279 HB3 PRO 31 HB1 PRO 31 22.452 6.748 13.294
280 HG2 PRO 31 HG2 PRO 31 23.683 4.412 14.744
281 HG3 PRO 31 HG1 PRO 31 23.242 6.012 15.379
282 HD2 PRO 31 HD2 PRO 31 21.658 3.897 15.804
283 HD3 PRO 31 HD1 PRO 31 20.943 5.485 15.451
284 H LYS 32 HN LYS 32 22.309 2.227 12.936
285 HA LYS 32 HA LYS 32 23.968 1.910 10.567
286 HB2 LYS 32 HB2 LYS 32 24.269 -0.399 11.227
287 HB3 LYS 32 HB1 LYS 32 24.471 0.644 12.630
288 HG2 LYS 32 HG2 LYS 32 22.131 0.032 13.341
289 HG3 LYS 32 HG1 LYS 32 22.074 -1.113 11.989
290 HD2 LYS 32 HD2 LYS 32 24.163 -2.207 12.987
291 HD3 LYS 32 HD1 LYS 32 23.932 -1.178 14.406
292 HE2 LYS 32 HE2 LYS 32 22.957 -3.299 14.913
293 HE3 LYS 32 HE1 LYS 32 21.610 -2.200 14.622
294 HZ1 LYS 32 HZ1 LYS 32 22.705 -4.207 12.717
295 HZ2 LYS 32 HZ2 LYS 32 21.483 -3.101 12.344
296 HZ3 LYS 32 HZ3 LYS 32 21.217 -4.283 13.524
297 H TYR 33 HN TYR 33 20.602 1.582 11.271
298 HA TYR 33 HA TYR 33 19.965 0.148 8.797
299 HB2 TYR 33 HB2 TYR 33 18.255 1.282 11.045
300 HB3 TYR 33 HB1 TYR 33 17.537 0.688 9.553
301 HD1 TYR 33 HD2 TYR 33 19.364 -0.304 12.605
302 HD2 TYR 33 HD1 TYR 33 17.419 -1.704 9.072
303 HE1 TYR 33 HE2 TYR 33 19.353 -2.585 13.516
304 HE2 TYR 33 HE1 TYR 33 17.412 -3.986 9.978
305 HH TYR 33 HH TYR 33 18.615 -5.320 11.597
306 H SER 34 HN SER 34 20.895 3.253 9.452
307 HA SER 34 HA SER 34 19.228 4.821 7.781
308 HB2 SER 34 HB2 SER 34 20.891 5.779 9.374
309 HB3 SER 34 HB1 SER 34 22.202 5.144 8.384
310 HG SER 34 HG SER 34 20.562 6.593 6.839
311 H THR 35 HN THR 35 19.030 4.787 5.574
312 HA THR 35 HA THR 35 20.901 3.113 3.983
313 HB THR 35 HB THR 35 18.784 2.597 2.571
314 HG1 THR 35 HG1 THR 35 17.330 4.079 3.324
315 HG21 THR 35 HG21 THR 35 19.765 0.893 4.092
316 HG22 THR 35 HG22 THR 35 18.003 0.793 4.072
317 HG23 THR 35 HG23 THR 35 18.826 1.555 5.434
318 H TRP 36 HN TRP 36 21.023 3.654 1.686
319 HA TRP 36 HA TRP 36 21.040 6.565 1.227
320 HB2 TRP 36 HB2 TRP 36 22.314 4.291 -0.410
321 HB3 TRP 36 HB1 TRP 36 22.489 6.008 -0.750
322 HD1 TRP 36 HD1 TRP 36 23.834 3.249 1.538
323 HE1 TRP 36 HE1 TRP 36 25.925 4.133 2.741
324 HE3 TRP 36 HE3 TRP 36 23.535 8.187 0.208
325 HZ2 TRP 36 HZ2 TRP 36 27.272 6.585 3.098
326 HZ3 TRP 36 HZ3 TRP 36 25.259 9.738 1.034
327 HH2 TRP 36 HH2 TRP 36 27.092 8.953 2.453
328 H GLU 37 HN GLU 37 19.238 7.280 0.263
329 HA GLU 37 HA GLU 37 18.100 5.828 -2.074
330 HB2 GLU 37 HB2 GLU 37 16.818 7.728 -0.091
331 HB3 GLU 37 HB1 GLU 37 16.062 7.339 -1.626
332 HG2 GLU 37 HG2 GLU 37 14.997 6.071 0.066
333 HG3 GLU 37 HG1 GLU 37 15.954 4.965 -0.920
334 HA PRO 38 HA PRO 38 19.211 9.604 -4.443
335 HB2 PRO 38 HB2 PRO 38 17.376 9.428 -6.481
336 HB3 PRO 38 HB1 PRO 38 18.839 8.435 -6.419
337 HG2 PRO 38 HG2 PRO 38 16.031 7.714 -5.570
338 HG3 PRO 38 HG1 PRO 38 17.171 6.767 -6.552
339 HD2 PRO 38 HD2 PRO 38 16.830 6.258 -3.917
340 HD3 PRO 38 HD1 PRO 38 18.430 6.103 -4.681
341 H GLU 39 HN GLU 39 18.304 11.719 -4.717
342 HA GLU 39 HA GLU 39 16.883 12.570 -2.475
343 HB2 GLU 39 HB2 GLU 39 16.953 14.821 -3.449
344 HB3 GLU 39 HB1 GLU 39 18.489 13.989 -3.655
345 HG2 GLU 39 HG2 GLU 39 18.070 13.606 -5.992
346 HG3 GLU 39 HG1 GLU 39 16.401 14.145 -5.844
347 H GLU 40 HN GLU 40 15.586 11.458 -5.418
348 HA GLU 40 HA GLU 40 13.196 12.855 -5.774
349 HB2 GLU 40 HB2 GLU 40 13.694 9.900 -6.345
350 HB3 GLU 40 HB1 GLU 40 12.491 10.927 -7.130
351 HG2 GLU 40 HG2 GLU 40 15.514 11.206 -7.346
352 HG3 GLU 40 HG1 GLU 40 14.451 10.519 -8.571
353 H HIS 41 HN HIS 41 14.025 10.407 -3.438
354 HA HIS 41 HA HIS 41 11.399 9.399 -2.893
355 HB2 HIS 41 HB2 HIS 41 12.431 8.013 -1.289
356 HB3 HIS 41 HB1 HIS 41 13.659 8.227 -2.526
357 HD1 HIS 41 HD1 HIS 41 13.508 7.951 0.915
358 HD2 HIS 41 HD2 HIS 41 15.382 10.694 -1.572
359 HE1 HIS 41 HE1 HIS 41 15.340 8.929 2.280
360 HE2 HIS 41 HE2 HIS 41 16.620 10.386 0.684
361 H ILE 42 HN ILE 42 12.951 12.250 -1.898
362 HA ILE 42 HA ILE 42 11.969 12.527 0.771
363 HB ILE 42 HB ILE 42 12.912 14.678 -1.192
364 HG12 ILE 42 HG12 ILE 42 14.658 12.936 -0.766
365 HG13 ILE 42 HG11 ILE 42 15.125 14.512 -0.143
366 HG21 ILE 42 HG21 ILE 42 12.617 14.817 1.833
367 HG22 ILE 42 HG22 ILE 42 11.620 15.656 0.642
368 HG23 ILE 42 HG23 ILE 42 13.323 16.071 0.811
369 HD11 ILE 42 HD11 ILE 42 14.056 12.222 1.511
370 HD12 ILE 42 HD12 ILE 42 14.594 13.791 2.120
371 HD13 ILE 42 HD13 ILE 42 15.747 12.699 1.357
372 H LEU 43 HN LEU 43 9.894 12.960 1.351
373 HA LEU 43 HA LEU 43 7.912 13.683 -0.675
374 HB2 LEU 43 HB2 LEU 43 7.468 13.106 2.281
375 HB3 LEU 43 HB1 LEU 43 6.244 13.157 1.018
376 HG LEU 43 HG LEU 43 8.370 11.025 1.476
377 HD11 LEU 43 HD11 LEU 43 6.462 9.511 1.671
378 HD12 LEU 43 HD12 LEU 43 5.345 10.849 1.400
379 HD13 LEU 43 HD13 LEU 43 6.360 10.821 2.841
380 HD21 LEU 43 HD21 LEU 43 8.317 11.405 -0.915
381 HD22 LEU 43 HD22 LEU 43 6.557 11.272 -0.943
382 HD23 LEU 43 HD23 LEU 43 7.548 9.866 -0.536
383 H ASP 44 HN ASP 44 9.841 15.364 1.590
384 HA ASP 44 HA ASP 44 8.192 17.776 1.419
385 HB2 ASP 44 HB2 ASP 44 7.410 16.520 3.452
386 HB3 ASP 44 HB1 ASP 44 9.043 16.609 4.110
387 HA PRO 45 HA PRO 45 12.356 19.433 0.696
388 HB2 PRO 45 HB2 PRO 45 11.744 22.134 1.140
389 HB3 PRO 45 HB1 PRO 45 11.476 21.274 -0.382
390 HG2 PRO 45 HG2 PRO 45 9.534 21.786 1.876
391 HG3 PRO 45 HG1 PRO 45 9.285 21.976 0.126
392 HD2 PRO 45 HD2 PRO 45 8.335 19.832 1.364
393 HD3 PRO 45 HD1 PRO 45 9.124 19.633 -0.221
394 H ARG 46 HN ARG 46 10.587 20.199 3.660
395 HA ARG 46 HA ARG 46 12.716 21.478 5.055
396 HB2 ARG 46 HB2 ARG 46 10.196 20.122 6.076
397 HB3 ARG 46 HB1 ARG 46 11.314 20.991 7.119
398 HG2 ARG 46 HG2 ARG 46 9.773 22.202 4.795
399 HG3 ARG 46 HG1 ARG 46 9.370 22.374 6.510
400 HD2 ARG 46 HD2 ARG 46 11.542 23.494 6.900
401 HD3 ARG 46 HD1 ARG 46 11.931 23.333 5.183
402 HE ARG 46 HE ARG 46 9.542 24.684 5.239
403 HH11 ARG 46 HH11 ARG 46 12.686 25.259 6.706
404 HH12 ARG 46 HH12 ARG 46 12.570 26.982 6.540
405 HH21 ARG 46 HH21 ARG 46 9.404 26.943 5.057
406 HH22 ARG 46 HH22 ARG 46 10.712 27.936 5.605
407 H LEU 47 HN LEU 47 12.127 18.147 4.395
408 HA LEU 47 HA LEU 47 13.685 16.998 6.490
409 HB2 LEU 47 HB2 LEU 47 12.083 15.664 5.261
410 HB3 LEU 47 HB1 LEU 47 12.875 16.003 3.736
411 HG LEU 47 HG LEU 47 14.722 14.543 4.258
412 HD11 LEU 47 HD11 LEU 47 15.092 15.050 6.598
413 HD12 LEU 47 HD12 LEU 47 14.927 13.310 6.374
414 HD13 LEU 47 HD13 LEU 47 13.587 14.242 7.046
415 HD21 LEU 47 HD21 LEU 47 12.126 13.185 5.076
416 HD22 LEU 47 HD22 LEU 47 13.585 12.372 4.502
417 HD23 LEU 47 HD23 LEU 47 12.689 13.436 3.419
418 H VAL 48 HN VAL 48 14.483 17.904 3.104
419 HA VAL 48 HA VAL 48 17.288 17.289 3.264
420 HB VAL 48 HB VAL 48 15.976 19.291 1.356
421 HG11 VAL 48 HG11 VAL 48 18.539 17.663 1.057
422 HG12 VAL 48 HG12 VAL 48 18.441 19.401 1.358
423 HG13 VAL 48 HG13 VAL 48 17.857 18.739 -0.170
424 HG21 VAL 48 HG21 VAL 48 16.251 16.284 0.980
425 HG22 VAL 48 HG22 VAL 48 15.692 17.426 -0.247
426 HG23 VAL 48 HG23 VAL 48 14.745 17.176 1.221
427 H MET 49 HN MET 49 15.329 20.134 3.774
428 HA MET 49 HA MET 49 17.405 22.061 3.982
429 HB2 MET 49 HB2 MET 49 14.451 22.083 4.697
430 HB3 MET 49 HB1 MET 49 15.487 23.490 4.978
431 HG2 MET 49 HG2 MET 49 15.981 23.584 2.559
432 HG3 MET 49 HG1 MET 49 14.943 22.181 2.297
433 HE1 MET 49 HE1 MET 49 13.399 26.322 3.678
434 HE2 MET 49 HE2 MET 49 15.075 25.999 3.241
435 HE3 MET 49 HE3 MET 49 14.394 25.292 4.708
436 H ALA 50 HN ALA 50 15.751 20.000 6.340
437 HA ALA 50 HA ALA 50 16.599 21.232 8.743
438 HB1 ALA 50 HB1 ALA 50 14.833 19.508 8.692
439 HB2 ALA 50 HB2 ALA 50 16.104 19.077 9.839
440 HB3 ALA 50 HB3 ALA 50 16.026 18.284 8.258
441 H TYR 51 HN TYR 51 18.258 19.131 6.500
442 HA TYR 51 HA TYR 51 20.376 18.191 8.126
443 HB2 TYR 51 HB2 TYR 51 19.790 17.165 5.966
444 HB3 TYR 51 HB1 TYR 51 20.240 18.633 5.113
445 HD1 TYR 51 HD1 TYR 51 21.743 16.074 7.435
446 HD2 TYR 51 HD2 TYR 51 22.384 18.706 4.141
447 HE1 TYR 51 HE1 TYR 51 23.994 15.150 7.137
448 HE2 TYR 51 HE2 TYR 51 24.647 17.793 3.848
449 HH TYR 51 HH TYR 51 26.347 16.613 5.132
450 H GLU 52 HN GLU 52 20.242 20.939 5.804
451 HA GLU 52 HA GLU 52 22.930 21.834 6.566
452 HB2 GLU 52 HB2 GLU 52 21.032 22.849 4.393
453 HB3 GLU 52 HB1 GLU 52 22.694 23.404 4.637
454 HG2 GLU 52 HG2 GLU 52 23.494 21.076 4.242
455 HG3 GLU 52 HG1 GLU 52 21.832 20.581 3.920
456 H GLU 53 HN GLU 53 19.618 23.217 6.481
457 HA GLU 53 HA GLU 53 20.296 25.330 8.375
458 HB2 GLU 53 HB2 GLU 53 17.479 24.489 7.539
459 HB3 GLU 53 HB1 GLU 53 17.988 26.043 8.204
460 HG2 GLU 53 HG2 GLU 53 18.569 24.937 5.437
461 HG3 GLU 53 HG1 GLU 53 17.495 26.272 5.848
462 H LYS 54 HN LYS 54 21.203 23.590 9.756
463 HA LYS 54 HA LYS 54 19.589 21.588 10.967
464 HB2 LYS 54 HB2 LYS 54 21.521 21.013 12.318
465 HB3 LYS 54 HB1 LYS 54 22.041 21.306 10.667
466 HG2 LYS 54 HG2 LYS 54 22.326 23.376 12.879
467 HG3 LYS 54 HG1 LYS 54 23.563 22.167 12.519
468 HD2 LYS 54 HD2 LYS 54 23.840 23.059 10.260
469 HD3 LYS 54 HD1 LYS 54 22.515 24.202 10.516
470 HE2 LYS 54 HE2 LYS 54 24.648 25.351 10.747
471 HE3 LYS 54 HE1 LYS 54 23.830 25.301 12.308
472 HZ1 LYS 54 HZ1 LYS 54 25.255 23.448 12.945
473 HZ2 LYS 54 HZ2 LYS 54 26.170 24.807 12.529
474 HZ3 LYS 54 HZ3 LYS 54 26.045 23.515 11.451
475 H GLU 55 HN GLU 55 19.004 21.366 13.145
476 HA GLU 55 HA GLU 55 17.993 21.913 15.080
477 HB2 GLU 55 HB2 GLU 55 19.750 24.408 15.179
478 HB3 GLU 55 HB1 GLU 55 18.947 23.621 16.536
479 HG2 GLU 55 HG2 GLU 55 21.286 22.565 14.915
480 HG3 GLU 55 HG1 GLU 55 21.309 23.103 16.594
481 H GLU 56 HN GLU 56 16.996 22.927 12.481
482 HA GLU 56 HA GLU 56 15.581 25.372 12.899
483 HB2 GLU 56 HB2 GLU 56 16.132 24.495 10.640
484 HB3 GLU 56 HB1 GLU 56 15.073 23.116 10.900
485 HG2 GLU 56 HG2 GLU 56 13.118 24.583 10.962
486 HG3 GLU 56 HG1 GLU 56 14.150 26.005 10.824
487 H1 ALA 1 HT1 ALA 1 9.605 22.001 15.621
488 H2 ALA 1 HT2 ALA 1 9.563 20.317 15.751
489 H3 ALA 1 HT3 ALA 1 8.396 21.251 16.531
490 HA ALA 1 HA ALA 1 7.515 21.993 14.446
491 HB1 ALA 1 HB1 ALA 1 8.331 21.024 12.325
492 HB2 ALA 1 HB2 ALA 1 9.597 20.160 13.202
493 HB3 ALA 1 HB3 ALA 1 9.610 21.924 13.145
494 H ARG 2 HN ARG 2 5.662 21.009 15.174
495 HA ARG 2 HA ARG 2 5.394 18.134 15.415
496 HB2 ARG 2 HB2 ARG 2 3.308 20.358 15.580
497 HB3 ARG 2 HB1 ARG 2 2.984 18.659 15.918
498 HG2 ARG 2 HG2 ARG 2 4.889 20.455 17.472
499 HG3 ARG 2 HG1 ARG 2 3.276 19.948 17.992
500 HD2 ARG 2 HD2 ARG 2 4.007 17.610 18.071
501 HD3 ARG 2 HD1 ARG 2 5.604 18.062 17.461
502 HE ARG 2 HE ARG 2 5.015 19.493 19.834
503 HH11 ARG 2 HH11 ARG 2 5.875 16.242 18.829
504 HH12 ARG 2 HH12 ARG 2 6.685 15.866 20.309
505 HH21 ARG 2 HH21 ARG 2 6.111 19.001 21.756
506 HH22 ARG 2 HH22 ARG 2 6.803 17.430 21.984
507 H THR 3 HN THR 3 5.693 17.167 13.495
508 HA THR 3 HA THR 3 3.732 17.301 11.407
509 HB THR 3 HB THR 3 5.065 19.263 10.736
510 HG1 THR 3 HG1 THR 3 5.777 18.442 8.630
511 HG21 THR 3 HG21 THR 3 7.451 19.087 10.115
512 HG22 THR 3 HG22 THR 3 7.478 17.411 10.664
513 HG23 THR 3 HG23 THR 3 7.216 18.715 11.825
514 H LYS 4 HN LYS 4 4.359 15.750 9.616
515 HA LYS 4 HA LYS 4 6.118 13.557 10.558
516 HB2 LYS 4 HB2 LYS 4 3.477 13.389 9.045
517 HB3 LYS 4 HB1 LYS 4 4.593 12.032 9.183
518 HG2 LYS 4 HG2 LYS 4 3.230 13.433 11.513
519 HG3 LYS 4 HG1 LYS 4 2.732 11.896 10.793
520 HD2 LYS 4 HD2 LYS 4 4.899 10.890 11.448
521 HD3 LYS 4 HD1 LYS 4 5.402 12.428 12.161
522 HE2 LYS 4 HE2 LYS 4 3.554 12.265 13.795
523 HE3 LYS 4 HE1 LYS 4 3.046 10.736 13.072
524 HZ1 LYS 4 HZ1 LYS 4 4.358 10.321 15.003
525 HZ2 LYS 4 HZ2 LYS 4 5.627 11.274 14.428
526 HZ3 LYS 4 HZ3 LYS 4 5.235 9.830 13.644
527 H GLN 5 HN GLN 5 7.664 15.069 9.429
528 HA GLN 5 HA GLN 5 7.852 15.003 6.601
529 HB2 GLN 5 HB2 GLN 5 10.160 15.685 6.814
530 HB3 GLN 5 HB1 GLN 5 9.223 16.556 8.013
531 HG2 GLN 5 HG2 GLN 5 10.989 14.162 8.588
532 HG3 GLN 5 HG1 GLN 5 11.461 15.838 8.814
533 HE21 GLN 5 HE21 GLN 5 11.355 13.661 10.757
534 HE22 GLN 5 HE22 GLN 5 10.303 14.203 12.017
535 H THR 6 HN THR 6 8.335 13.347 5.290
536 HA THR 6 HA THR 6 9.287 10.771 6.353
537 HB THR 6 HB THR 6 7.354 9.716 4.908
538 HG1 THR 6 HG1 THR 6 6.008 12.118 5.582
539 HG21 THR 6 HG21 THR 6 6.673 11.070 7.546
540 HG22 THR 6 HG22 THR 6 7.444 9.490 7.370
541 HG23 THR 6 HG23 THR 6 5.787 9.731 6.809
542 H ALA 7 HN ALA 7 9.687 9.193 4.639
543 HA ALA 7 HA ALA 7 10.269 10.178 1.963
544 HB1 ALA 7 HB1 ALA 7 12.651 9.583 2.078
545 HB2 ALA 7 HB2 ALA 7 12.485 9.198 3.794
546 HB3 ALA 7 HB3 ALA 7 12.260 10.855 3.235
547 H ARG 8 HN ARG 8 10.184 8.519 0.497
548 HA ARG 8 HA ARG 8 9.481 5.841 1.347
549 HB2 ARG 8 HB2 ARG 8 10.026 6.886 -1.470
550 HB3 ARG 8 HB1 ARG 8 9.277 5.340 -1.058
551 HG2 ARG 8 HG2 ARG 8 7.380 6.606 0.004
552 HG3 ARG 8 HG1 ARG 8 8.111 8.109 -0.572
553 HD2 ARG 8 HD2 ARG 8 7.111 5.814 -2.304
554 HD3 ARG 8 HD1 ARG 8 6.306 7.367 -2.064
555 HE ARG 8 HE ARG 8 8.700 8.127 -3.018
556 HH11 ARG 8 HH11 ARG 8 6.407 5.761 -4.260
557 HH12 ARG 8 HH12 ARG 8 6.856 6.029 -5.908
558 HH21 ARG 8 HH21 ARG 8 9.269 8.453 -5.177
559 HH22 ARG 8 HH22 ARG 8 8.481 7.545 -6.426
560 H M3L 9 HN M3L 9 10.776 3.931 1.051
561 HA M3L 9 HA M3L 9 13.630 4.450 1.186
562 HB2 M3L 9 HB2 M3L 9 12.013 1.906 1.528
563 HB3 M3L 9 HB1 M3L 9 13.781 1.922 1.552
564 HG2 M3L 9 HG2 M3L 9 13.602 3.699 3.383
565 HG3 M3L 9 HG1 M3L 9 11.884 3.288 3.486
566 HD2 M3L 9 HD2 M3L 9 12.393 1.029 4.173
567 HD3 M3L 9 HD1 M3L 9 14.108 1.230 3.789
568 HE2 M3L 9 HE2 M3L 9 14.208 3.015 5.586
569 HE3 M3L 9 HE1 M3L 9 12.561 2.576 6.040
570 HM11 M3L 9 HH33 M3L 9 15.784 -0.207 6.640
571 HM12 M3L 9 HH31 M3L 9 16.107 1.371 5.907
572 HM13 M3L 9 HH32 M3L 9 15.232 0.134 5.001
573 HM21 M3L 9 HH11 M3L 9 13.436 -0.834 7.303
574 HM22 M3L 9 HH12 M3L 9 12.857 -0.482 5.672
575 HM23 M3L 9 HH13 M3L 9 12.109 0.308 7.062
576 HM31 M3L 9 HH21 M3L 9 14.674 0.924 8.600
577 HM32 M3L 9 HH22 M3L 9 13.365 2.077 8.335
578 HM33 M3L 9 HH23 M3L 9 15.015 2.495 7.868
579 H SER 10 HN SER 10 15.149 2.887 0.093
580 HA SER 10 HA SER 10 14.968 3.080 -2.772
581 HB2 SER 10 HB2 SER 10 17.099 3.349 -1.497
582 HB3 SER 10 HB1 SER 10 16.994 1.678 -0.960
583 HG SER 10 HG SER 10 18.248 2.502 -3.032
584 H THR 11 HN THR 11 15.663 1.027 -4.047
585 HA THR 11 HA THR 11 14.469 -1.476 -3.017
586 HB THR 11 HB THR 11 12.870 -0.426 -4.625
587 HG1 THR 11 HG1 THR 11 13.895 -2.894 -4.735
588 HG21 THR 11 HG21 THR 11 14.472 0.775 -6.093
589 HG22 THR 11 HG22 THR 11 13.408 -0.282 -7.026
590 HG23 THR 11 HG23 THR 11 15.075 -0.765 -6.699
591 H GLY 12 HN GLY 12 17.240 -0.130 -3.454
592 HA2 GLY 12 HA2 GLY 12 19.386 -0.905 -3.751
593 HA3 GLY 12 HA1 GLY 12 18.730 -2.502 -4.086
594 H GLY 13 HN GLY 13 17.896 0.443 -5.824
595 HA2 GLY 13 HA2 GLY 13 18.565 1.182 -7.954
596 HA3 GLY 13 HA1 GLY 13 19.446 -0.320 -8.206
597 H LYS 14 HN LYS 14 18.182 -2.296 -8.564
598 HA LYS 14 HA LYS 14 15.376 -2.184 -9.176
599 HB2 LYS 14 HB2 LYS 14 16.334 -1.021 -11.189
600 HB3 LYS 14 HB1 LYS 14 17.289 -2.454 -11.553
601 HG2 LYS 14 HG2 LYS 14 15.229 -3.757 -11.912
602 HG3 LYS 14 HG1 LYS 14 14.245 -2.352 -11.486
603 HD2 LYS 14 HD2 LYS 14 16.116 -2.579 -13.885
604 HD3 LYS 14 HD1 LYS 14 14.352 -2.652 -13.927
605 HE2 LYS 14 HE2 LYS 14 14.271 -0.312 -13.057
606 HE3 LYS 14 HE1 LYS 14 16.035 -0.254 -13.123
607 HZ1 LYS 14 HZ1 LYS 14 15.897 -0.642 -15.506
608 HZ2 LYS 14 HZ2 LYS 14 15.069 0.759 -15.053
609 HZ3 LYS 14 HZ3 LYS 14 14.208 -0.648 -15.418
610 H ALA 15 HN ALA 15 14.628 -4.151 -8.731
611 HA ALA 15 HA ALA 15 16.353 -6.543 -8.918
612 HB1 ALA 15 HB1 ALA 15 15.368 -6.129 -6.688
613 HB2 ALA 15 HB2 ALA 15 14.689 -7.598 -7.399
614 HB3 ALA 15 HB3 ALA 15 13.750 -6.105 -7.393
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 8.928 -1.340 -3.826
2 H2 GLY 1 HT2 GLY 1 9.087 -2.941 -3.296
3 H3 GLY 1 HT3 GLY 1 10.267 -1.797 -2.891
4 HA2 GLY 1 HA1 GLY 1 7.458 -1.844 -1.948
5 HA3 GLY 1 HA2 GLY 1 8.883 -2.210 -0.990
6 H GLU 2 HN GLU 2 7.227 0.328 -2.813
7 HA GLU 2 HA GLU 2 8.961 2.461 -1.860
8 HB2 GLU 2 HB2 GLU 2 6.546 2.541 -3.713
9 HB3 GLU 2 HB1 GLU 2 7.534 3.935 -3.313
10 HG2 GLU 2 HG2 GLU 2 8.157 3.117 -5.504
11 HG3 GLU 2 HG1 GLU 2 9.490 2.862 -4.380
12 H GLN 3 HN GLN 3 8.464 2.128 0.388
13 HA GLN 3 HA GLN 3 5.732 2.892 1.280
14 HB2 GLN 3 HB2 GLN 3 7.811 1.231 2.782
15 HB3 GLN 3 HB1 GLN 3 6.154 1.554 3.300
16 HG2 GLN 3 HG2 GLN 3 7.010 -0.090 0.900
17 HG3 GLN 3 HG1 GLN 3 6.394 -0.715 2.425
18 HE21 GLN 3 HE21 GLN 3 4.242 1.273 2.675
19 HE22 GLN 3 HE22 GLN 3 3.070 0.868 1.475
20 H VAL 4 HN VAL 4 5.512 4.504 2.784
21 HA VAL 4 HA VAL 4 7.777 6.253 3.304
22 HB VAL 4 HB VAL 4 6.142 7.770 4.377
23 HG11 VAL 4 HG11 VAL 4 5.228 6.748 1.669
24 HG12 VAL 4 HG12 VAL 4 6.483 7.952 1.979
25 HG13 VAL 4 HG13 VAL 4 4.803 8.314 2.373
26 HG21 VAL 4 HG21 VAL 4 4.026 5.656 3.785
27 HG22 VAL 4 HG22 VAL 4 3.710 7.289 4.385
28 HG23 VAL 4 HG23 VAL 4 4.598 6.139 5.385
29 H PHE 5 HN PHE 5 8.822 6.515 5.197
30 HA PHE 5 HA PHE 5 7.801 5.286 7.683
31 HB2 PHE 5 HB2 PHE 5 10.646 5.024 6.578
32 HB3 PHE 5 HB1 PHE 5 10.226 4.673 8.249
33 HD1 PHE 5 HD1 PHE 5 9.767 3.562 4.736
34 HD2 PHE 5 HD2 PHE 5 9.136 2.590 8.849
35 HE1 PHE 5 HE1 PHE 5 9.189 1.259 4.111
36 HE2 PHE 5 HE2 PHE 5 8.560 0.292 8.211
37 HZ PHE 5 HZ PHE 5 8.585 -0.376 5.846
38 H ALA 6 HN ALA 6 8.304 6.414 9.537
39 HA ALA 6 HA ALA 6 8.636 9.231 9.377
40 HB1 ALA 6 HB1 ALA 6 8.606 9.162 11.846
41 HB2 ALA 6 HB2 ALA 6 8.796 7.407 11.808
42 HB3 ALA 6 HB3 ALA 6 7.326 8.149 11.174
43 H VAL 7 HN VAL 7 10.496 10.324 9.173
44 HA VAL 7 HA VAL 7 13.077 8.972 9.598
45 HB VAL 7 HB VAL 7 14.081 10.677 8.210
46 HG11 VAL 7 HG11 VAL 7 11.414 9.886 6.969
47 HG12 VAL 7 HG12 VAL 7 12.904 8.943 6.944
48 HG13 VAL 7 HG13 VAL 7 12.827 10.476 6.084
49 HG21 VAL 7 HG21 VAL 7 12.791 12.608 7.302
50 HG22 VAL 7 HG22 VAL 7 12.976 12.665 9.051
51 HG23 VAL 7 HG23 VAL 7 11.440 12.164 8.348
52 H GLU 8 HN GLU 8 14.720 9.919 10.829
53 HA GLU 8 HA GLU 8 14.004 11.775 12.962
54 HB2 GLU 8 HB2 GLU 8 15.423 9.790 13.429
55 HB3 GLU 8 HB1 GLU 8 16.625 10.362 12.280
56 HG2 GLU 8 HG2 GLU 8 17.023 12.348 13.728
57 HG3 GLU 8 HG1 GLU 8 15.851 11.710 14.883
58 H SER 9 HN SER 9 16.672 11.562 10.580
59 HA SER 9 HA SER 9 16.383 14.262 9.595
60 HB2 SER 9 HB2 SER 9 18.898 13.556 11.206
61 HB3 SER 9 HB1 SER 9 18.642 15.050 10.306
62 HG SER 9 HG SER 9 17.445 14.182 12.701
63 H ILE 10 HN ILE 10 18.392 14.681 8.038
64 HA ILE 10 HA ILE 10 19.234 12.230 6.663
65 HB ILE 10 HB ILE 10 20.072 15.118 6.118
66 HG12 ILE 10 HG12 ILE 10 17.643 14.834 5.762
67 HG13 ILE 10 HG11 ILE 10 18.485 15.154 4.256
68 HG21 ILE 10 HG21 ILE 10 20.863 14.288 3.931
69 HG22 ILE 10 HG22 ILE 10 20.421 12.640 4.385
70 HG23 ILE 10 HG23 ILE 10 21.696 13.484 5.264
71 HD11 ILE 10 HD11 ILE 10 17.466 12.472 5.190
72 HD12 ILE 10 HD12 ILE 10 18.342 12.766 3.684
73 HD13 ILE 10 HD13 ILE 10 16.761 13.501 3.943
74 H ARG 11 HN ARG 11 20.993 11.175 7.378
75 HA ARG 11 HA ARG 11 22.808 12.243 9.335
76 HB2 ARG 11 HB2 ARG 11 21.973 9.710 8.892
77 HB3 ARG 11 HB1 ARG 11 23.422 9.642 7.904
78 HG2 ARG 11 HG2 ARG 11 23.304 10.287 10.880
79 HG3 ARG 11 HG1 ARG 11 23.805 8.751 10.175
80 HD2 ARG 11 HD2 ARG 11 25.762 9.854 9.162
81 HD3 ARG 11 HD1 ARG 11 25.233 11.412 9.811
82 HE ARG 11 HE ARG 11 25.978 9.111 11.531
83 HH11 ARG 11 HH11 ARG 11 26.100 12.551 10.856
84 HH12 ARG 11 HH12 ARG 11 27.088 12.904 12.232
85 HH21 ARG 11 HH21 ARG 11 27.266 9.594 13.334
86 HH22 ARG 11 HH22 ARG 11 27.770 11.226 13.624
87 H LYS 12 HN LYS 12 23.315 10.935 6.007
88 HA LYS 12 HA LYS 12 25.642 12.754 5.646
89 HB2 LYS 12 HB2 LYS 12 25.394 9.859 4.725
90 HB3 LYS 12 HB1 LYS 12 26.713 10.943 4.292
91 HG2 LYS 12 HG2 LYS 12 27.401 11.065 6.657
92 HG3 LYS 12 HG1 LYS 12 26.059 9.998 7.103
93 HD2 LYS 12 HD2 LYS 12 27.020 8.191 5.715
94 HD3 LYS 12 HD1 LYS 12 28.340 9.259 5.219
95 HE2 LYS 12 HE2 LYS 12 27.811 8.403 8.087
96 HE3 LYS 12 HE1 LYS 12 28.977 7.637 7.008
97 HZ1 LYS 12 HZ1 LYS 12 29.042 10.465 7.885
98 HZ2 LYS 12 HZ2 LYS 12 30.155 9.739 6.851
99 HZ3 LYS 12 HZ3 LYS 12 30.040 9.231 8.456
100 H LYS 13 HN LYS 13 26.298 12.760 3.210
101 HA LYS 13 HA LYS 13 24.089 12.803 1.329
102 HB2 LYS 13 HB2 LYS 13 23.677 14.926 2.514
103 HB3 LYS 13 HB1 LYS 13 25.359 15.403 2.321
104 HG2 LYS 13 HG2 LYS 13 25.008 15.500 -0.158
105 HG3 LYS 13 HG1 LYS 13 23.300 15.116 0.096
106 HD2 LYS 13 HD2 LYS 13 23.029 17.193 1.412
107 HD3 LYS 13 HD1 LYS 13 24.742 17.569 1.194
108 HE2 LYS 13 HE2 LYS 13 24.376 17.743 -1.250
109 HE3 LYS 13 HE1 LYS 13 22.664 17.369 -1.016
110 HZ1 LYS 13 HZ1 LYS 13 23.095 19.738 -1.241
111 HZ2 LYS 13 HZ2 LYS 13 24.060 19.708 0.143
112 HZ3 LYS 13 HZ3 LYS 13 22.411 19.365 0.258
113 H ARG 14 HN ARG 14 24.808 12.879 -0.769
114 HA ARG 14 HA ARG 14 27.370 13.750 -1.653
115 HB2 ARG 14 HB2 ARG 14 28.352 11.587 -2.305
116 HB3 ARG 14 HB1 ARG 14 28.062 11.591 -0.565
117 HG2 ARG 14 HG2 ARG 14 25.935 10.315 -0.968
118 HG3 ARG 14 HG1 ARG 14 26.365 10.217 -2.678
119 HD2 ARG 14 HD2 ARG 14 28.434 8.985 -2.060
120 HD3 ARG 14 HD1 ARG 14 27.951 9.075 -0.354
121 HE ARG 14 HE ARG 14 25.918 7.881 -1.977
122 HH11 ARG 14 HH11 ARG 14 28.963 7.143 -0.386
123 HH12 ARG 14 HH12 ARG 14 28.610 5.455 -0.268
124 HH21 ARG 14 HH21 ARG 14 25.476 5.671 -1.787
125 HH22 ARG 14 HH22 ARG 14 26.646 4.625 -1.060
126 H VAL 15 HN VAL 15 27.671 12.792 -4.028
127 HA VAL 15 HA VAL 15 25.185 11.887 -5.278
128 HB VAL 15 HB VAL 15 25.255 14.303 -5.805
129 HG11 VAL 15 HG11 VAL 15 27.046 15.322 -7.164
130 HG12 VAL 15 HG12 VAL 15 27.961 13.813 -7.101
131 HG13 VAL 15 HG13 VAL 15 27.671 14.727 -5.621
132 HG21 VAL 15 HG21 VAL 15 24.290 12.785 -7.477
133 HG22 VAL 15 HG22 VAL 15 25.870 12.572 -8.234
134 HG23 VAL 15 HG23 VAL 15 25.077 14.148 -8.279
135 H ARG 16 HN ARG 16 25.567 10.146 -6.477
136 HA ARG 16 HA ARG 16 28.229 9.555 -7.563
137 HB2 ARG 16 HB2 ARG 16 28.086 8.469 -5.298
138 HB3 ARG 16 HB1 ARG 16 26.642 7.605 -5.819
139 HG2 ARG 16 HG2 ARG 16 27.954 6.425 -7.540
140 HG3 ARG 16 HG1 ARG 16 29.405 7.304 -7.054
141 HD2 ARG 16 HD2 ARG 16 29.271 6.252 -4.813
142 HD3 ARG 16 HD1 ARG 16 27.831 5.360 -5.329
143 HE ARG 16 HE ARG 16 30.572 4.999 -6.402
144 HH11 ARG 16 HH11 ARG 16 27.332 3.707 -5.932
145 HH12 ARG 16 HH12 ARG 16 27.775 2.109 -6.437
146 HH21 ARG 16 HH21 ARG 16 31.131 2.908 -7.064
147 HH22 ARG 16 HH22 ARG 16 29.929 1.659 -7.075
148 H LYS 17 HN LYS 17 28.028 8.906 -9.597
149 HA LYS 17 HA LYS 17 27.240 8.185 -11.594
150 HB2 LYS 17 HB2 LYS 17 25.173 6.563 -10.037
151 HB3 LYS 17 HB1 LYS 17 25.695 6.285 -11.697
152 HG2 LYS 17 HG2 LYS 17 27.378 5.930 -9.193
153 HG3 LYS 17 HG1 LYS 17 26.678 4.640 -10.178
154 HD2 LYS 17 HD2 LYS 17 28.115 5.243 -12.059
155 HD3 LYS 17 HD1 LYS 17 28.743 6.643 -11.179
156 HE2 LYS 17 HE2 LYS 17 29.748 5.120 -9.500
157 HE3 LYS 17 HE1 LYS 17 29.123 3.730 -10.395
158 HZ1 LYS 17 HZ1 LYS 17 31.445 4.193 -10.891
159 HZ2 LYS 17 HZ2 LYS 17 31.037 5.728 -11.463
160 HZ3 LYS 17 HZ3 LYS 17 30.479 4.351 -12.267
161 H GLY 18 HN GLY 18 26.118 10.587 -10.283
162 HA2 GLY 18 HA2 GLY 18 24.688 12.269 -11.009
163 HA3 GLY 18 HA1 GLY 18 23.885 11.129 -12.071
164 H LYS 19 HN LYS 19 23.889 9.527 -9.255
165 HA LYS 19 HA LYS 19 21.178 10.313 -8.478
166 HB2 LYS 19 HB2 LYS 19 22.981 8.028 -7.534
167 HB3 LYS 19 HB1 LYS 19 21.302 8.259 -7.045
168 HG2 LYS 19 HG2 LYS 19 22.154 7.849 -9.924
169 HG3 LYS 19 HG1 LYS 19 21.732 6.508 -8.852
170 HD2 LYS 19 HD2 LYS 19 19.880 8.807 -9.641
171 HD3 LYS 19 HD1 LYS 19 19.847 7.186 -10.339
172 HE2 LYS 19 HE2 LYS 19 19.292 6.266 -8.080
173 HE3 LYS 19 HE1 LYS 19 19.247 7.913 -7.443
174 HZ1 LYS 19 HZ1 LYS 19 17.423 8.403 -8.935
175 HZ2 LYS 19 HZ2 LYS 19 17.051 7.054 -7.985
176 HZ3 LYS 19 HZ3 LYS 19 17.505 6.849 -9.593
177 H VAL 20 HN VAL 20 21.079 11.990 -7.054
178 HA VAL 20 HA VAL 20 23.258 12.602 -5.234
179 HB VAL 20 HB VAL 20 20.474 13.861 -5.186
180 HG11 VAL 20 HG11 VAL 20 23.161 14.943 -4.230
181 HG12 VAL 20 HG12 VAL 20 21.868 14.329 -3.196
182 HG13 VAL 20 HG13 VAL 20 21.614 15.793 -4.147
183 HG21 VAL 20 HG21 VAL 20 21.363 14.052 -7.476
184 HG22 VAL 20 HG22 VAL 20 22.855 14.763 -6.855
185 HG23 VAL 20 HG23 VAL 20 21.326 15.629 -6.682
186 H GLU 21 HN GLU 21 23.528 11.328 -3.492
187 HA GLU 21 HA GLU 21 21.268 9.739 -2.461
188 HB2 GLU 21 HB2 GLU 21 24.281 9.372 -2.092
189 HB3 GLU 21 HB1 GLU 21 23.041 8.279 -1.475
190 HG2 GLU 21 HG2 GLU 21 23.579 8.855 -4.415
191 HG3 GLU 21 HG1 GLU 21 24.152 7.440 -3.527
192 H TYR 22 HN TYR 22 20.593 9.884 -0.412
193 HA TYR 22 HA TYR 22 22.025 11.589 1.551
194 HB2 TYR 22 HB2 TYR 22 19.000 11.384 1.081
195 HB3 TYR 22 HB1 TYR 22 19.745 12.231 2.432
196 HD1 TYR 22 HD2 TYR 22 19.223 12.294 -1.240
197 HD2 TYR 22 HD1 TYR 22 20.720 14.443 2.137
198 HE1 TYR 22 HE2 TYR 22 19.402 14.326 -2.602
199 HE2 TYR 22 HE1 TYR 22 20.896 16.469 0.770
200 HH TYR 22 HH TYR 22 19.490 16.730 -2.337
201 H LEU 23 HN LEU 23 22.804 10.112 3.034
202 HA LEU 23 HA LEU 23 21.514 7.627 3.648
203 HB2 LEU 23 HB2 LEU 23 23.971 8.061 4.029
204 HB3 LEU 23 HB1 LEU 23 23.544 9.149 5.339
205 HG LEU 23 HG LEU 23 22.416 7.172 6.490
206 HD11 LEU 23 HD11 LEU 23 22.099 5.726 4.551
207 HD12 LEU 23 HD12 LEU 23 23.021 4.907 5.808
208 HD13 LEU 23 HD13 LEU 23 23.847 5.538 4.378
209 HD21 LEU 23 HD21 LEU 23 24.501 6.224 7.370
210 HD22 LEU 23 HD22 LEU 23 24.615 7.976 7.215
211 HD23 LEU 23 HD23 LEU 23 25.406 6.934 6.029
212 H VAL 24 HN VAL 24 19.377 8.180 4.061
213 HA VAL 24 HA VAL 24 18.568 10.178 5.924
214 HB VAL 24 HB VAL 24 16.933 7.857 4.796
215 HG11 VAL 24 HG11 VAL 24 15.857 8.836 6.778
216 HG12 VAL 24 HG12 VAL 24 14.943 9.252 5.328
217 HG13 VAL 24 HG13 VAL 24 15.990 10.457 6.086
218 HG21 VAL 24 HG21 VAL 24 17.866 9.231 2.977
219 HG22 VAL 24 HG22 VAL 24 17.205 10.691 3.715
220 HG23 VAL 24 HG23 VAL 24 16.118 9.449 3.090
221 H LYS 25 HN LYS 25 18.986 9.961 8.023
222 HA LYS 25 HA LYS 25 18.986 7.448 9.447
223 HB2 LYS 25 HB2 LYS 25 20.467 9.248 10.203
224 HB3 LYS 25 HB1 LYS 25 19.107 10.347 10.393
225 HG2 LYS 25 HG2 LYS 25 19.882 9.552 12.565
226 HG3 LYS 25 HG1 LYS 25 18.239 8.985 12.249
227 HD2 LYS 25 HD2 LYS 25 19.156 6.756 11.600
228 HD3 LYS 25 HD1 LYS 25 20.789 7.331 11.956
229 HE2 LYS 25 HE2 LYS 25 19.905 5.988 13.815
230 HE3 LYS 25 HE1 LYS 25 20.153 7.658 14.326
231 HZ1 LYS 25 HZ1 LYS 25 17.799 8.064 14.100
232 HZ2 LYS 25 HZ2 LYS 25 18.048 6.734 15.110
233 HZ3 LYS 25 HZ3 LYS 25 17.541 6.492 13.519
234 H TRP 26 HN TRP 26 17.097 6.443 9.723
235 HA TRP 26 HA TRP 26 14.554 7.839 9.780
236 HB2 TRP 26 HB2 TRP 26 15.082 4.854 10.144
237 HB3 TRP 26 HB1 TRP 26 13.555 5.616 9.700
238 HD1 TRP 26 HD1 TRP 26 16.961 4.646 8.226
239 HE1 TRP 26 HE1 TRP 26 16.869 4.805 5.666
240 HE3 TRP 26 HE3 TRP 26 12.312 6.687 7.690
241 HZ2 TRP 26 HZ2 TRP 26 15.105 5.675 3.680
242 HZ3 TRP 26 HZ3 TRP 26 11.489 7.137 5.413
243 HH2 TRP 26 HH2 TRP 26 12.853 6.641 3.447
244 H LYS 27 HN LYS 27 12.987 7.470 11.586
245 HA LYS 27 HA LYS 27 14.273 8.482 13.934
246 HB2 LYS 27 HB2 LYS 27 12.146 9.389 13.114
247 HB3 LYS 27 HB1 LYS 27 11.344 7.846 13.402
248 HG2 LYS 27 HG2 LYS 27 11.621 8.084 15.807
249 HG3 LYS 27 HG1 LYS 27 12.593 9.543 15.593
250 HD2 LYS 27 HD2 LYS 27 9.661 9.260 14.810
251 HD3 LYS 27 HD1 LYS 27 10.244 10.031 16.288
252 HE2 LYS 27 HE2 LYS 27 11.441 11.724 14.923
253 HE3 LYS 27 HE1 LYS 27 10.843 10.954 13.451
254 HZ1 LYS 27 HZ1 LYS 27 9.527 12.871 14.037
255 HZ2 LYS 27 HZ2 LYS 27 9.178 12.216 15.552
256 HZ3 LYS 27 HZ3 LYS 27 8.589 11.465 14.159
257 H GLY 28 HN GLY 28 12.073 5.680 13.538
258 HA2 GLY 28 HA2 GLY 28 12.746 4.633 16.178
259 HA3 GLY 28 HA1 GLY 28 11.558 3.993 15.058
260 H TRP 29 HN TRP 29 14.426 4.540 13.443
261 HA TRP 29 HA TRP 29 15.290 1.723 13.670
262 HB2 TRP 29 HB2 TRP 29 15.415 3.544 11.215
263 HB3 TRP 29 HB1 TRP 29 15.917 1.859 11.281
264 HD1 TRP 29 HD1 TRP 29 12.668 3.990 11.478
265 HE1 TRP 29 HE1 TRP 29 10.705 2.547 10.676
266 HE3 TRP 29 HE3 TRP 29 15.119 -0.462 10.853
267 HZ2 TRP 29 HZ2 TRP 29 10.230 -0.109 9.884
268 HZ3 TRP 29 HZ3 TRP 29 13.837 -2.404 10.053
269 HH2 TRP 29 HH2 TRP 29 11.439 -2.234 9.576
270 HA PRO 30 HA PRO 30 19.222 3.582 14.966
271 HB2 PRO 30 HB2 PRO 30 20.825 1.357 14.763
272 HB3 PRO 30 HB1 PRO 30 19.654 1.578 16.072
273 HG2 PRO 30 HG2 PRO 30 19.386 -0.008 13.524
274 HG3 PRO 30 HG1 PRO 30 18.950 -0.480 15.181
275 HD2 PRO 30 HD2 PRO 30 17.098 0.402 13.401
276 HD3 PRO 30 HD1 PRO 30 16.958 0.742 15.139
277 HA PRO 31 HA PRO 31 21.472 4.811 11.279
278 HB2 PRO 31 HB2 PRO 31 24.168 4.621 11.905
279 HB3 PRO 31 HB1 PRO 31 23.106 5.899 12.513
280 HG2 PRO 31 HG2 PRO 31 23.950 3.334 13.853
281 HG3 PRO 31 HG1 PRO 31 23.889 4.974 14.533
282 HD2 PRO 31 HD2 PRO 31 21.937 3.185 15.036
283 HD3 PRO 31 HD1 PRO 31 21.553 4.904 14.805
284 H LYS 32 HN LYS 32 22.069 1.598 12.435
285 HA LYS 32 HA LYS 32 23.388 0.640 10.029
286 HB2 LYS 32 HB2 LYS 32 23.265 -1.577 11.079
287 HB3 LYS 32 HB1 LYS 32 23.921 -0.371 12.181
288 HG2 LYS 32 HG2 LYS 32 21.574 -0.236 13.217
289 HG3 LYS 32 HG1 LYS 32 21.179 -1.676 12.264
290 HD2 LYS 32 HD2 LYS 32 23.081 -2.880 13.378
291 HD3 LYS 32 HD1 LYS 32 23.386 -1.443 14.359
292 HE2 LYS 32 HE2 LYS 32 22.134 -2.956 15.725
293 HE3 LYS 32 HE1 LYS 32 21.007 -1.688 15.241
294 HZ1 LYS 32 HZ1 LYS 32 20.174 -3.167 13.511
295 HZ2 LYS 32 HZ2 LYS 32 20.006 -3.861 15.038
296 HZ3 LYS 32 HZ3 LYS 32 21.239 -4.379 14.005
297 H TYR 33 HN TYR 33 20.170 1.339 10.801
298 HA TYR 33 HA TYR 33 19.198 -0.199 8.457
299 HB2 TYR 33 HB2 TYR 33 17.752 0.725 10.971
300 HB3 TYR 33 HB1 TYR 33 16.856 0.373 9.499
301 HD1 TYR 33 HD1 TYR 33 16.760 -1.937 8.603
302 HD2 TYR 33 HD2 TYR 33 18.696 -1.113 12.313
303 HE1 TYR 33 HE1 TYR 33 16.696 -4.323 9.162
304 HE2 TYR 33 HE2 TYR 33 18.632 -3.502 12.877
305 HH TYR 33 HH TYR 33 17.885 -5.915 10.599
306 H SER 34 HN SER 34 20.525 2.633 8.972
307 HA SER 34 HA SER 34 18.637 4.402 7.645
308 HB2 SER 34 HB2 SER 34 21.584 4.768 8.338
309 HB3 SER 34 HB1 SER 34 20.516 6.034 7.714
310 HG SER 34 HG SER 34 19.712 4.608 9.986
311 H THR 35 HN THR 35 18.627 4.883 5.465
312 HA THR 35 HA THR 35 20.294 3.180 3.689
313 HB THR 35 HB THR 35 18.263 3.265 2.115
314 HG1 THR 35 HG1 THR 35 16.702 4.552 2.710
315 HG21 THR 35 HG21 THR 35 16.984 1.511 3.297
316 HG22 THR 35 HG22 THR 35 17.801 1.925 4.805
317 HG23 THR 35 HG23 THR 35 18.723 1.240 3.465
318 H TRP 36 HN TRP 36 21.217 4.152 1.893
319 HA TRP 36 HA TRP 36 21.253 6.997 1.556
320 HB2 TRP 36 HB2 TRP 36 22.224 4.766 -0.290
321 HB3 TRP 36 HB1 TRP 36 22.504 6.481 -0.575
322 HD1 TRP 36 HD1 TRP 36 23.774 3.553 1.518
323 HE1 TRP 36 HE1 TRP 36 25.900 4.279 2.764
324 HE3 TRP 36 HE3 TRP 36 23.629 8.586 0.546
325 HZ2 TRP 36 HZ2 TRP 36 27.322 6.643 3.285
326 HZ3 TRP 36 HZ3 TRP 36 25.418 10.012 1.467
327 HH2 TRP 36 HH2 TRP 36 27.224 9.055 2.810
328 H GLU 37 HN GLU 37 19.062 7.468 1.452
329 HA GLU 37 HA GLU 37 17.501 6.570 -0.861
330 HB2 GLU 37 HB2 GLU 37 16.704 6.440 1.641
331 HB3 GLU 37 HB1 GLU 37 16.428 8.164 1.479
332 HG2 GLU 37 HG2 GLU 37 14.382 6.855 1.116
333 HG3 GLU 37 HG1 GLU 37 14.837 7.794 -0.316
334 HA PRO 38 HA PRO 38 18.857 10.591 -2.490
335 HB2 PRO 38 HB2 PRO 38 17.687 10.354 -4.990
336 HB3 PRO 38 HB1 PRO 38 19.226 9.605 -4.540
337 HG2 PRO 38 HG2 PRO 38 16.476 8.386 -4.627
338 HG3 PRO 38 HG1 PRO 38 18.018 7.706 -5.190
339 HD2 PRO 38 HD2 PRO 38 16.912 6.986 -2.820
340 HD3 PRO 38 HD1 PRO 38 18.674 7.082 -3.023
341 H GLU 39 HN GLU 39 17.939 12.559 -3.180
342 HA GLU 39 HA GLU 39 15.615 13.547 -2.029
343 HB2 GLU 39 HB2 GLU 39 15.902 15.476 -3.673
344 HB3 GLU 39 HB1 GLU 39 17.330 15.056 -2.731
345 HG2 GLU 39 HG2 GLU 39 18.229 13.786 -4.657
346 HG3 GLU 39 HG1 GLU 39 16.805 14.224 -5.604
347 H GLU 40 HN GLU 40 16.004 11.870 -5.028
348 HA GLU 40 HA GLU 40 13.717 12.429 -6.488
349 HB2 GLU 40 HB2 GLU 40 15.722 11.117 -7.217
350 HB3 GLU 40 HB1 GLU 40 15.196 9.773 -6.213
351 HG2 GLU 40 HG2 GLU 40 13.161 9.567 -7.623
352 HG3 GLU 40 HG1 GLU 40 13.757 10.874 -8.647
353 H HIS 41 HN HIS 41 14.105 10.438 -3.613
354 HA HIS 41 HA HIS 41 11.333 9.396 -3.795
355 HB2 HIS 41 HB2 HIS 41 13.685 8.142 -2.313
356 HB3 HIS 41 HB1 HIS 41 12.078 7.441 -2.520
357 HD1 HIS 41 HD1 HIS 41 15.212 6.759 -3.697
358 HD2 HIS 41 HD2 HIS 41 11.653 7.590 -5.676
359 HE1 HIS 41 HE1 HIS 41 15.532 5.916 -6.050
360 HE2 HIS 41 HE2 HIS 41 13.442 6.596 -7.258
361 H ILE 42 HN ILE 42 13.389 11.453 -1.965
362 HA ILE 42 HA ILE 42 12.029 11.426 0.555
363 HB ILE 42 HB ILE 42 13.332 13.820 -0.842
364 HG12 ILE 42 HG12 ILE 42 14.980 12.016 -0.687
365 HG13 ILE 42 HG11 ILE 42 15.398 13.301 0.432
366 HG21 ILE 42 HG21 ILE 42 11.918 14.504 1.029
367 HG22 ILE 42 HG22 ILE 42 13.617 14.763 1.419
368 HG23 ILE 42 HG23 ILE 42 12.753 13.385 2.111
369 HD11 ILE 42 HD11 ILE 42 14.125 10.666 1.145
370 HD12 ILE 42 HD12 ILE 42 14.541 11.952 2.281
371 HD13 ILE 42 HD13 ILE 42 15.811 11.127 1.380
372 H LEU 43 HN LEU 43 10.040 12.600 1.206
373 HA LEU 43 HA LEU 43 8.646 13.935 -1.069
374 HB2 LEU 43 HB2 LEU 43 6.484 13.275 -0.140
375 HB3 LEU 43 HB1 LEU 43 7.489 11.907 -0.563
376 HG LEU 43 HG LEU 43 8.002 11.681 1.959
377 HD11 LEU 43 HD11 LEU 43 7.264 13.845 2.775
378 HD12 LEU 43 HD12 LEU 43 6.307 12.566 3.513
379 HD13 LEU 43 HD13 LEU 43 5.619 13.535 2.211
380 HD21 LEU 43 HD21 LEU 43 5.942 10.426 2.396
381 HD22 LEU 43 HD22 LEU 43 6.525 10.140 0.760
382 HD23 LEU 43 HD23 LEU 43 5.153 11.216 1.026
383 H ASP 44 HN ASP 44 9.981 14.494 1.997
384 HA ASP 44 HA ASP 44 8.540 17.062 2.265
385 HB2 ASP 44 HB2 ASP 44 10.189 15.428 4.207
386 HB3 ASP 44 HB1 ASP 44 10.048 17.163 4.459
387 HA PRO 45 HA PRO 45 12.206 19.073 0.336
388 HB2 PRO 45 HB2 PRO 45 11.121 21.628 0.755
389 HB3 PRO 45 HB1 PRO 45 10.859 20.657 -0.698
390 HG2 PRO 45 HG2 PRO 45 9.092 20.954 1.727
391 HG3 PRO 45 HG1 PRO 45 8.639 20.932 0.008
392 HD2 PRO 45 HD2 PRO 45 8.293 18.758 1.525
393 HD3 PRO 45 HD1 PRO 45 8.874 18.589 -0.152
394 H ARG 46 HN ARG 46 10.441 19.856 3.300
395 HA ARG 46 HA ARG 46 12.421 21.323 4.655
396 HB2 ARG 46 HB2 ARG 46 10.018 19.750 5.637
397 HB3 ARG 46 HB1 ARG 46 11.073 20.617 6.748
398 HG2 ARG 46 HG2 ARG 46 9.478 21.867 4.485
399 HG3 ARG 46 HG1 ARG 46 9.081 21.934 6.206
400 HD2 ARG 46 HD2 ARG 46 11.470 23.181 4.811
401 HD3 ARG 46 HD1 ARG 46 10.129 24.025 5.589
402 HE ARG 46 HE ARG 46 11.063 22.754 7.689
403 HH11 ARG 46 HH11 ARG 46 12.935 24.391 5.208
404 HH12 ARG 46 HH12 ARG 46 14.286 24.670 6.257
405 HH21 ARG 46 HH21 ARG 46 12.861 23.121 9.035
406 HH22 ARG 46 HH22 ARG 46 14.242 23.966 8.412
407 H LEU 47 HN LEU 47 12.153 17.853 4.206
408 HA LEU 47 HA LEU 47 13.700 17.037 6.458
409 HB2 LEU 47 HB2 LEU 47 12.327 15.405 5.317
410 HB3 LEU 47 HB1 LEU 47 13.148 15.680 3.792
411 HG LEU 47 HG LEU 47 15.163 14.562 4.586
412 HD11 LEU 47 HD11 LEU 47 15.330 13.504 6.804
413 HD12 LEU 47 HD12 LEU 47 13.818 14.279 7.284
414 HD13 LEU 47 HD13 LEU 47 15.233 15.262 6.902
415 HD21 LEU 47 HD21 LEU 47 14.326 12.268 4.895
416 HD22 LEU 47 HD22 LEU 47 13.414 13.117 3.652
417 HD23 LEU 47 HD23 LEU 47 12.715 12.892 5.256
418 H VAL 48 HN VAL 48 14.617 17.555 3.029
419 HA VAL 48 HA VAL 48 17.435 17.200 3.493
420 HB VAL 48 HB VAL 48 15.987 18.386 1.078
421 HG11 VAL 48 HG11 VAL 48 18.334 19.145 1.109
422 HG12 VAL 48 HG12 VAL 48 18.099 17.964 -0.180
423 HG13 VAL 48 HG13 VAL 48 18.891 17.481 1.321
424 HG21 VAL 48 HG21 VAL 48 15.357 16.035 1.525
425 HG22 VAL 48 HG22 VAL 48 17.060 15.568 1.549
426 HG23 VAL 48 HG23 VAL 48 16.324 16.146 0.051
427 H MET 49 HN MET 49 15.252 19.971 3.211
428 HA MET 49 HA MET 49 17.107 22.085 3.277
429 HB2 MET 49 HB2 MET 49 14.193 21.913 4.132
430 HB3 MET 49 HB1 MET 49 15.109 23.411 4.295
431 HG2 MET 49 HG2 MET 49 15.435 23.529 1.899
432 HG3 MET 49 HG1 MET 49 14.683 21.942 1.685
433 HE1 MET 49 HE1 MET 49 11.954 24.387 0.195
434 HE2 MET 49 HE2 MET 49 12.992 22.997 -0.137
435 HE3 MET 49 HE3 MET 49 13.695 24.603 0.085
436 H ALA 50 HN ALA 50 15.621 20.221 5.916
437 HA ALA 50 HA ALA 50 16.540 21.766 8.121
438 HB1 ALA 50 HB1 ALA 50 14.732 20.102 8.365
439 HB2 ALA 50 HB2 ALA 50 16.036 19.779 9.508
440 HB3 ALA 50 HB3 ALA 50 15.873 18.796 8.047
441 H TYR 51 HN TYR 51 17.971 19.171 6.234
442 HA TYR 51 HA TYR 51 20.312 18.738 7.810
443 HB2 TYR 51 HB2 TYR 51 19.604 17.018 6.255
444 HB3 TYR 51 HB1 TYR 51 19.629 18.141 4.901
445 HD1 TYR 51 HD2 TYR 51 21.737 16.145 7.195
446 HD2 TYR 51 HD1 TYR 51 21.710 18.665 3.765
447 HE1 TYR 51 HE2 TYR 51 24.057 15.525 6.722
448 HE2 TYR 51 HE1 TYR 51 24.024 18.079 3.295
449 HH TYR 51 HH TYR 51 25.963 17.246 4.426
450 H GLU 52 HN GLU 52 19.536 20.864 5.048
451 HA GLU 52 HA GLU 52 22.167 21.817 4.547
452 HB2 GLU 52 HB2 GLU 52 19.540 23.264 3.958
453 HB3 GLU 52 HB1 GLU 52 21.113 23.605 3.234
454 HG2 GLU 52 HG2 GLU 52 19.539 21.041 2.870
455 HG3 GLU 52 HG1 GLU 52 19.599 22.369 1.718
456 H GLU 53 HN GLU 53 19.577 22.966 6.672
457 HA GLU 53 HA GLU 53 21.103 25.328 7.542
458 HB2 GLU 53 HB2 GLU 53 19.031 26.000 8.683
459 HB3 GLU 53 HB1 GLU 53 18.693 25.573 7.008
460 HG2 GLU 53 HG2 GLU 53 17.938 23.301 7.835
461 HG3 GLU 53 HG1 GLU 53 18.102 23.914 9.479
462 H LYS 54 HN LYS 54 21.423 22.255 8.317
463 HA LYS 54 HA LYS 54 20.997 21.885 11.048
464 HB2 LYS 54 HB2 LYS 54 21.475 20.009 9.657
465 HB3 LYS 54 HB1 LYS 54 22.984 20.702 9.091
466 HG2 LYS 54 HG2 LYS 54 24.069 20.252 11.190
467 HG3 LYS 54 HG1 LYS 54 22.544 19.779 11.941
468 HD2 LYS 54 HD2 LYS 54 24.099 17.862 11.246
469 HD3 LYS 54 HD1 LYS 54 22.430 17.746 10.691
470 HE2 LYS 54 HE2 LYS 54 24.053 17.112 8.931
471 HE3 LYS 54 HE1 LYS 54 23.074 18.496 8.457
472 HZ1 LYS 54 HZ1 LYS 54 25.888 18.534 9.382
473 HZ2 LYS 54 HZ2 LYS 54 24.972 19.923 9.088
474 HZ3 LYS 54 HZ3 LYS 54 25.332 18.850 7.830
475 H GLU 55 HN GLU 55 21.803 22.838 12.759
476 HA GLU 55 HA GLU 55 23.925 24.769 12.676
477 HB2 GLU 55 HB2 GLU 55 22.311 23.659 15.019
478 HB3 GLU 55 HB1 GLU 55 23.394 25.043 15.117
479 HG2 GLU 55 HG2 GLU 55 20.903 24.924 13.371
480 HG3 GLU 55 HG1 GLU 55 20.960 25.627 14.988
481 H GLU 56 HN GLU 56 25.816 23.476 12.114
482 HA GLU 56 HA GLU 56 26.982 22.084 14.475
483 HB2 GLU 56 HB2 GLU 56 27.591 21.600 11.524
484 HB3 GLU 56 HB1 GLU 56 28.476 20.867 12.863
485 HG2 GLU 56 HG2 GLU 56 26.338 19.796 13.601
486 HG3 GLU 56 HG1 GLU 56 25.560 20.437 12.153
487 H1 ALA 1 HT1 ALA 1 4.225 23.188 8.651
488 H2 ALA 1 HT2 ALA 1 3.075 21.990 8.944
489 H3 ALA 1 HT3 ALA 1 2.819 23.561 9.507
490 HA ALA 1 HA ALA 1 1.478 23.086 7.563
491 HB1 ALA 1 HB1 ALA 1 2.096 25.095 6.252
492 HB2 ALA 1 HB2 ALA 1 3.664 25.147 7.062
493 HB3 ALA 1 HB3 ALA 1 2.184 25.417 7.986
494 H ARG 2 HN ARG 2 1.614 21.190 6.469
495 HA ARG 2 HA ARG 2 2.233 19.528 5.049
496 HB2 ARG 2 HB2 ARG 2 3.725 21.740 3.569
497 HB3 ARG 2 HB1 ARG 2 3.308 20.164 2.898
498 HG2 ARG 2 HG2 ARG 2 0.924 20.714 2.998
499 HG3 ARG 2 HG1 ARG 2 1.284 22.242 3.810
500 HD2 ARG 2 HD2 ARG 2 2.088 21.486 0.976
501 HD3 ARG 2 HD1 ARG 2 0.815 22.621 1.436
502 HE ARG 2 HE ARG 2 3.482 23.240 2.424
503 HH11 ARG 2 HH11 ARG 2 1.121 23.900 -0.091
504 HH12 ARG 2 HH12 ARG 2 1.932 25.333 -0.626
505 HH21 ARG 2 HH21 ARG 2 4.509 25.111 1.720
506 HH22 ARG 2 HH22 ARG 2 3.857 26.003 0.388
507 H THR 3 HN THR 3 3.889 20.098 7.370
508 HA THR 3 HA THR 3 6.612 19.235 6.601
509 HB THR 3 HB THR 3 7.223 20.053 8.949
510 HG1 THR 3 HG1 THR 3 5.084 20.053 9.826
511 HG21 THR 3 HG21 THR 3 6.043 22.150 7.090
512 HG22 THR 3 HG22 THR 3 7.670 21.476 6.979
513 HG23 THR 3 HG23 THR 3 7.216 22.455 8.375
514 H LYS 4 HN LYS 4 5.851 17.056 6.344
515 HA LYS 4 HA LYS 4 4.645 15.605 8.557
516 HB2 LYS 4 HB2 LYS 4 5.576 14.653 5.804
517 HB3 LYS 4 HB1 LYS 4 4.834 13.604 7.001
518 HG2 LYS 4 HG2 LYS 4 3.122 14.140 5.450
519 HG3 LYS 4 HG1 LYS 4 2.775 15.075 6.903
520 HD2 LYS 4 HD2 LYS 4 2.392 16.405 4.869
521 HD3 LYS 4 HD1 LYS 4 3.690 17.101 5.838
522 HE2 LYS 4 HE2 LYS 4 4.241 17.160 3.444
523 HE3 LYS 4 HE1 LYS 4 5.364 16.112 4.309
524 HZ1 LYS 4 HZ1 LYS 4 4.664 15.107 2.251
525 HZ2 LYS 4 HZ2 LYS 4 3.037 15.223 2.698
526 HZ3 LYS 4 HZ3 LYS 4 4.081 14.208 3.553
527 H GLN 5 HN GLN 5 7.774 16.050 7.109
528 HA GLN 5 HA GLN 5 9.867 15.320 7.447
529 HB2 GLN 5 HB2 GLN 5 9.414 16.207 9.760
530 HB3 GLN 5 HB1 GLN 5 8.912 14.601 10.259
531 HG2 GLN 5 HG2 GLN 5 11.135 14.990 11.065
532 HG3 GLN 5 HG1 GLN 5 11.212 13.775 9.798
533 HE21 GLN 5 HE21 GLN 5 13.348 15.422 10.820
534 HE22 GLN 5 HE22 GLN 5 13.963 16.344 9.496
535 H THR 6 HN THR 6 9.257 13.724 5.800
536 HA THR 6 HA THR 6 9.383 10.919 6.621
537 HB THR 6 HB THR 6 6.993 11.957 5.028
538 HG1 THR 6 HG1 THR 6 6.922 12.500 7.285
539 HG21 THR 6 HG21 THR 6 7.592 9.189 6.127
540 HG22 THR 6 HG22 THR 6 7.588 9.650 4.421
541 HG23 THR 6 HG23 THR 6 6.083 9.672 5.346
542 H ALA 7 HN ALA 7 10.109 9.561 5.026
543 HA ALA 7 HA ALA 7 10.548 10.564 2.278
544 HB1 ALA 7 HB1 ALA 7 12.744 9.436 2.231
545 HB2 ALA 7 HB2 ALA 7 12.557 8.989 3.931
546 HB3 ALA 7 HB3 ALA 7 12.695 10.687 3.475
547 H ARG 8 HN ARG 8 10.424 8.975 0.686
548 HA ARG 8 HA ARG 8 9.031 6.466 1.341
549 HB2 ARG 8 HB2 ARG 8 9.629 7.811 -1.336
550 HB3 ARG 8 HB1 ARG 8 8.696 6.327 -1.146
551 HG2 ARG 8 HG2 ARG 8 6.862 7.452 -0.190
552 HG3 ARG 8 HG1 ARG 8 7.821 8.871 0.237
553 HD2 ARG 8 HD2 ARG 8 7.150 8.054 -2.614
554 HD3 ARG 8 HD1 ARG 8 6.252 9.252 -1.674
555 HE ARG 8 HE ARG 8 8.899 10.049 -1.594
556 HH11 ARG 8 HH11 ARG 8 6.504 9.624 -4.123
557 HH12 ARG 8 HH12 ARG 8 7.192 10.846 -5.141
558 HH21 ARG 8 HH21 ARG 8 9.791 11.635 -2.942
559 HH22 ARG 8 HH22 ARG 8 9.060 11.963 -4.476
560 H M3L 9 HN M3L 9 10.172 4.596 1.419
561 HA M3L 9 HA M3L 9 12.935 4.455 0.609
562 HB2 M3L 9 HB2 M3L 9 11.050 2.319 1.686
563 HB3 M3L 9 HB1 M3L 9 12.757 2.046 1.320
564 HG2 M3L 9 HG2 M3L 9 13.283 3.899 2.991
565 HG3 M3L 9 HG1 M3L 9 11.578 3.832 3.471
566 HD2 M3L 9 HD2 M3L 9 11.834 1.472 4.127
567 HD3 M3L 9 HD1 M3L 9 13.505 1.467 3.547
568 HE2 M3L 9 HE2 M3L 9 14.013 3.264 5.258
569 HE3 M3L 9 HE1 M3L 9 12.379 3.055 5.889
570 HM11 M3L 9 HH33 M3L 9 11.751 0.941 7.089
571 HM12 M3L 9 HH31 M3L 9 12.927 -0.366 7.258
572 HM13 M3L 9 HH32 M3L 9 12.217 -0.016 5.681
573 HM21 M3L 9 HH11 M3L 9 15.024 2.702 7.432
574 HM22 M3L 9 HH12 M3L 9 14.566 1.226 8.284
575 HM23 M3L 9 HH13 M3L 9 13.405 2.546 8.121
576 HM31 M3L 9 HH21 M3L 9 15.251 -0.108 6.279
577 HM32 M3L 9 HH22 M3L 9 15.677 1.373 5.416
578 HM33 M3L 9 HH23 M3L 9 14.538 0.231 4.698
579 H SER 10 HN SER 10 13.431 4.233 -1.493
580 HA SER 10 HA SER 10 11.829 3.011 -3.494
581 HB2 SER 10 HB2 SER 10 13.698 4.593 -3.985
582 HB3 SER 10 HB1 SER 10 14.856 3.374 -3.467
583 HG SER 10 HG SER 10 13.038 2.583 -5.419
584 H THR 11 HN THR 11 14.082 1.806 -1.135
585 HA THR 11 HA THR 11 14.954 -0.179 -0.559
586 HB THR 11 HB THR 11 13.374 -2.194 -0.704
587 HG1 THR 11 HG1 THR 11 11.478 -0.267 -1.571
588 HG21 THR 11 HG21 THR 11 11.804 -1.340 0.994
589 HG22 THR 11 HG22 THR 11 12.257 0.313 0.587
590 HG23 THR 11 HG23 THR 11 13.448 -0.766 1.317
591 H GLY 12 HN GLY 12 16.065 0.649 -2.795
592 HA2 GLY 12 HA2 GLY 12 16.054 -1.134 -5.018
593 HA3 GLY 12 HA1 GLY 12 17.271 0.077 -4.645
594 H GLY 13 HN GLY 13 16.321 -3.273 -4.233
595 HA2 GLY 13 HA2 GLY 13 18.365 -4.198 -2.528
596 HA3 GLY 13 HA1 GLY 13 17.455 -5.183 -3.668
597 H LYS 14 HN LYS 14 18.187 -4.087 -6.088
598 HA LYS 14 HA LYS 14 20.986 -4.853 -6.412
599 HB2 LYS 14 HB2 LYS 14 19.277 -5.595 -8.076
600 HB3 LYS 14 HB1 LYS 14 18.939 -3.916 -8.477
601 HG2 LYS 14 HG2 LYS 14 21.343 -3.695 -9.246
602 HG3 LYS 14 HG1 LYS 14 21.530 -5.429 -8.971
603 HD2 LYS 14 HD2 LYS 14 21.108 -5.037 -11.336
604 HD3 LYS 14 HD1 LYS 14 19.719 -5.866 -10.629
605 HE2 LYS 14 HE2 LYS 14 18.519 -3.689 -10.488
606 HE3 LYS 14 HE1 LYS 14 19.901 -2.888 -11.239
607 HZ1 LYS 14 HZ1 LYS 14 19.558 -4.155 -13.215
608 HZ2 LYS 14 HZ2 LYS 14 18.091 -3.437 -12.791
609 HZ3 LYS 14 HZ3 LYS 14 18.349 -5.079 -12.494
610 H ALA 15 HN ALA 15 22.352 -3.263 -5.672
611 HA ALA 15 HA ALA 15 22.474 -0.720 -7.068
612 HB1 ALA 15 HB1 ALA 15 20.882 -0.181 -5.252
613 HB2 ALA 15 HB2 ALA 15 22.405 0.685 -5.026
614 HB3 ALA 15 HB3 ALA 15 22.042 -0.743 -4.050
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 5.020 1.224 -5.104
2 H2 GLY 1 HT2 GLY 1 4.512 -0.378 -5.248
3 H3 GLY 1 HT3 GLY 1 6.085 -0.031 -4.726
4 HA2 GLY 1 HA1 GLY 1 3.590 0.618 -3.266
5 HA3 GLY 1 HA2 GLY 1 4.701 -0.686 -2.870
6 H GLU 2 HN GLU 2 4.189 2.790 -2.827
7 HA GLU 2 HA GLU 2 6.807 3.600 -2.042
8 HB2 GLU 2 HB2 GLU 2 4.106 5.000 -1.782
9 HB3 GLU 2 HB1 GLU 2 5.647 5.762 -1.394
10 HG2 GLU 2 HG2 GLU 2 6.385 5.433 -3.750
11 HG3 GLU 2 HG1 GLU 2 4.808 4.726 -4.123
12 H GLN 3 HN GLN 3 7.509 2.342 -0.367
13 HA GLN 3 HA GLN 3 6.073 2.004 2.119
14 HB2 GLN 3 HB2 GLN 3 7.608 0.248 1.134
15 HB3 GLN 3 HB1 GLN 3 8.970 1.318 1.453
16 HG2 GLN 3 HG2 GLN 3 8.464 1.201 3.882
17 HG3 GLN 3 HG1 GLN 3 7.138 0.087 3.535
18 HE21 GLN 3 HE21 GLN 3 8.053 -1.560 4.787
19 HE22 GLN 3 HE22 GLN 3 9.463 -2.431 4.292
20 H VAL 4 HN VAL 4 5.750 4.169 2.760
21 HA VAL 4 HA VAL 4 7.989 5.945 3.284
22 HB VAL 4 HB VAL 4 6.304 7.558 4.122
23 HG11 VAL 4 HG11 VAL 4 6.819 7.564 1.737
24 HG12 VAL 4 HG12 VAL 4 5.119 7.965 1.987
25 HG13 VAL 4 HG13 VAL 4 5.572 6.351 1.428
26 HG21 VAL 4 HG21 VAL 4 3.874 7.083 3.993
27 HG22 VAL 4 HG22 VAL 4 4.676 6.004 5.133
28 HG23 VAL 4 HG23 VAL 4 4.218 5.410 3.536
29 H PHE 5 HN PHE 5 8.809 6.512 5.254
30 HA PHE 5 HA PHE 5 7.608 5.508 7.746
31 HB2 PHE 5 HB2 PHE 5 10.424 4.907 6.777
32 HB3 PHE 5 HB1 PHE 5 10.154 5.125 8.498
33 HD1 PHE 5 HD1 PHE 5 9.199 3.006 5.569
34 HD2 PHE 5 HD2 PHE 5 9.216 3.375 9.828
35 HE1 PHE 5 HE1 PHE 5 8.545 0.648 5.788
36 HE2 PHE 5 HE2 PHE 5 8.557 1.016 10.027
37 HZ PHE 5 HZ PHE 5 8.222 -0.348 8.009
38 H ALA 6 HN ALA 6 8.069 6.755 9.553
39 HA ALA 6 HA ALA 6 8.452 9.543 9.228
40 HB1 ALA 6 HB1 ALA 6 7.118 8.598 11.073
41 HB2 ALA 6 HB2 ALA 6 8.404 9.632 11.698
42 HB3 ALA 6 HB3 ALA 6 8.569 7.875 11.772
43 H VAL 7 HN VAL 7 10.277 10.776 9.330
44 HA VAL 7 HA VAL 7 12.866 9.409 9.819
45 HB VAL 7 HB VAL 7 13.887 10.910 8.150
46 HG11 VAL 7 HG11 VAL 7 13.052 8.733 7.367
47 HG12 VAL 7 HG12 VAL 7 12.883 9.951 6.103
48 HG13 VAL 7 HG13 VAL 7 11.467 9.437 7.027
49 HG21 VAL 7 HG21 VAL 7 12.421 12.856 8.382
50 HG22 VAL 7 HG22 VAL 7 11.073 11.956 7.685
51 HG23 VAL 7 HG23 VAL 7 12.481 12.342 6.697
52 H GLU 8 HN GLU 8 14.555 10.620 10.689
53 HA GLU 8 HA GLU 8 13.865 12.653 12.660
54 HB2 GLU 8 HB2 GLU 8 15.384 10.770 13.212
55 HB3 GLU 8 HB1 GLU 8 16.483 11.253 11.927
56 HG2 GLU 8 HG2 GLU 8 16.757 13.460 13.221
57 HG3 GLU 8 HG1 GLU 8 15.933 12.654 14.556
58 H SER 9 HN SER 9 16.279 12.213 10.129
59 HA SER 9 HA SER 9 15.930 14.558 8.637
60 HB2 SER 9 HB2 SER 9 18.221 14.630 10.658
61 HB3 SER 9 HB1 SER 9 18.230 15.617 9.194
62 HG SER 9 HG SER 9 15.900 16.025 10.345
63 H ILE 10 HN ILE 10 18.081 14.802 7.182
64 HA ILE 10 HA ILE 10 18.931 12.188 6.272
65 HB ILE 10 HB ILE 10 20.028 14.930 5.494
66 HG12 ILE 10 HG12 ILE 10 17.646 14.804 4.965
67 HG13 ILE 10 HG11 ILE 10 18.584 14.776 3.484
68 HG21 ILE 10 HG21 ILE 10 20.889 13.802 3.469
69 HG22 ILE 10 HG22 ILE 10 20.315 12.249 4.088
70 HG23 ILE 10 HG23 ILE 10 21.589 13.125 4.942
71 HD11 ILE 10 HD11 ILE 10 17.231 12.410 4.798
72 HD12 ILE 10 HD12 ILE 10 18.254 12.317 3.361
73 HD13 ILE 10 HD13 ILE 10 16.747 13.230 3.313
74 H ARG 11 HN ARG 11 20.538 11.075 7.144
75 HA ARG 11 HA ARG 11 22.245 12.014 9.222
76 HB2 ARG 11 HB2 ARG 11 21.415 9.495 8.321
77 HB3 ARG 11 HB1 ARG 11 23.095 9.512 7.815
78 HG2 ARG 11 HG2 ARG 11 22.046 9.860 10.653
79 HG3 ARG 11 HG1 ARG 11 22.864 8.438 9.997
80 HD2 ARG 11 HD2 ARG 11 24.940 9.626 9.821
81 HD3 ARG 11 HD1 ARG 11 24.167 11.176 10.157
82 HE ARG 11 HE ARG 11 24.377 8.999 12.154
83 HH11 ARG 11 HH11 ARG 11 24.536 12.423 11.376
84 HH12 ARG 11 HH12 ARG 11 24.985 12.884 12.994
85 HH21 ARG 11 HH21 ARG 11 24.966 9.629 14.265
86 HH22 ARG 11 HH22 ARG 11 25.246 11.308 14.608
87 H LYS 12 HN LYS 12 23.011 10.849 5.906
88 HA LYS 12 HA LYS 12 25.172 12.855 5.643
89 HB2 LYS 12 HB2 LYS 12 25.403 9.888 4.965
90 HB3 LYS 12 HB1 LYS 12 26.538 11.110 4.401
91 HG2 LYS 12 HG2 LYS 12 27.138 11.609 6.765
92 HG3 LYS 12 HG1 LYS 12 26.053 10.310 7.292
93 HD2 LYS 12 HD2 LYS 12 27.395 8.646 6.102
94 HD3 LYS 12 HD1 LYS 12 28.417 9.910 5.402
95 HE2 LYS 12 HE2 LYS 12 28.215 9.224 8.357
96 HE3 LYS 12 HE1 LYS 12 29.534 8.767 7.279
97 HZ1 LYS 12 HZ1 LYS 12 28.765 11.534 8.042
98 HZ2 LYS 12 HZ2 LYS 12 29.977 11.148 6.935
99 HZ3 LYS 12 HZ3 LYS 12 30.140 10.692 8.555
100 H LYS 13 HN LYS 13 25.752 13.289 3.381
101 HA LYS 13 HA LYS 13 23.783 12.571 1.333
102 HB2 LYS 13 HB2 LYS 13 22.754 14.547 2.393
103 HB3 LYS 13 HB1 LYS 13 24.257 15.448 2.240
104 HG2 LYS 13 HG2 LYS 13 24.003 15.238 -0.288
105 HG3 LYS 13 HG1 LYS 13 22.386 14.583 0.008
106 HD2 LYS 13 HD2 LYS 13 21.693 16.670 1.088
107 HD3 LYS 13 HD1 LYS 13 23.336 17.311 0.983
108 HE2 LYS 13 HE2 LYS 13 21.541 16.667 -1.387
109 HE3 LYS 13 HE1 LYS 13 21.858 18.280 -0.746
110 HZ1 LYS 13 HZ1 LYS 13 23.867 16.453 -1.964
111 HZ2 LYS 13 HZ2 LYS 13 24.214 17.965 -1.294
112 HZ3 LYS 13 HZ3 LYS 13 23.227 17.854 -2.665
113 H ARG 14 HN ARG 14 24.588 12.722 -0.712
114 HA ARG 14 HA ARG 14 26.995 14.058 -1.499
115 HB2 ARG 14 HB2 ARG 14 28.397 12.070 -1.962
116 HB3 ARG 14 HB1 ARG 14 28.044 12.201 -0.238
117 HG2 ARG 14 HG2 ARG 14 26.214 10.499 -0.556
118 HG3 ARG 14 HG1 ARG 14 26.770 10.286 -2.222
119 HD2 ARG 14 HD2 ARG 14 28.450 9.826 0.274
120 HD3 ARG 14 HD1 ARG 14 27.660 8.556 -0.670
121 HE ARG 14 HE ARG 14 29.625 10.325 -1.983
122 HH11 ARG 14 HH11 ARG 14 28.810 7.097 -0.865
123 HH12 ARG 14 HH12 ARG 14 30.170 6.359 -1.643
124 HH21 ARG 14 HH21 ARG 14 31.403 9.342 -2.993
125 HH22 ARG 14 HH22 ARG 14 31.641 7.631 -2.855
126 H VAL 15 HN VAL 15 27.668 12.800 -3.815
127 HA VAL 15 HA VAL 15 25.188 12.021 -5.208
128 HB VAL 15 HB VAL 15 25.424 14.366 -5.756
129 HG11 VAL 15 HG11 VAL 15 27.802 14.718 -5.253
130 HG12 VAL 15 HG12 VAL 15 27.407 15.345 -6.855
131 HG13 VAL 15 HG13 VAL 15 28.263 13.807 -6.696
132 HG21 VAL 15 HG21 VAL 15 26.318 12.684 -8.138
133 HG22 VAL 15 HG22 VAL 15 25.560 14.275 -8.230
134 HG23 VAL 15 HG23 VAL 15 24.653 12.903 -7.591
135 H ARG 16 HN ARG 16 25.463 10.099 -6.033
136 HA ARG 16 HA ARG 16 28.081 9.147 -6.988
137 HB2 ARG 16 HB2 ARG 16 27.023 7.649 -5.367
138 HB3 ARG 16 HB1 ARG 16 25.517 7.654 -6.265
139 HG2 ARG 16 HG2 ARG 16 26.622 5.542 -6.630
140 HG3 ARG 16 HG1 ARG 16 26.653 6.458 -8.137
141 HD2 ARG 16 HD2 ARG 16 28.806 5.408 -7.857
142 HD3 ARG 16 HD1 ARG 16 29.012 7.144 -7.606
143 HE ARG 16 HE ARG 16 28.544 5.863 -5.129
144 HH11 ARG 16 HH11 ARG 16 31.093 6.273 -7.517
145 HH12 ARG 16 HH12 ARG 16 32.361 5.951 -6.381
146 HH21 ARG 16 HH21 ARG 16 30.219 5.402 -3.676
147 HH22 ARG 16 HH22 ARG 16 31.865 5.468 -4.219
148 H LYS 17 HN LYS 17 28.156 10.181 -8.975
149 HA LYS 17 HA LYS 17 28.025 10.299 -11.217
150 HB2 LYS 17 HB2 LYS 17 26.794 7.531 -10.930
151 HB3 LYS 17 HB1 LYS 17 27.456 8.203 -12.424
152 HG2 LYS 17 HG2 LYS 17 29.689 8.369 -11.322
153 HG3 LYS 17 HG1 LYS 17 29.008 7.636 -9.869
154 HD2 LYS 17 HD2 LYS 17 30.230 5.958 -11.177
155 HD3 LYS 17 HD1 LYS 17 28.509 5.568 -11.142
156 HE2 LYS 17 HE2 LYS 17 29.501 5.234 -13.392
157 HE3 LYS 17 HE1 LYS 17 28.231 6.456 -13.408
158 HZ1 LYS 17 HZ1 LYS 17 29.880 8.176 -13.457
159 HZ2 LYS 17 HZ2 LYS 17 30.207 7.081 -14.702
160 HZ3 LYS 17 HZ3 LYS 17 31.135 7.060 -13.292
161 H GLY 18 HN GLY 18 26.181 11.885 -10.254
162 HA2 GLY 18 HA2 GLY 18 24.537 13.203 -11.267
163 HA3 GLY 18 HA1 GLY 18 24.125 11.874 -12.335
164 H LYS 19 HN LYS 19 24.195 10.518 -9.354
165 HA LYS 19 HA LYS 19 21.310 10.944 -8.837
166 HB2 LYS 19 HB2 LYS 19 23.088 8.530 -8.215
167 HB3 LYS 19 HB1 LYS 19 21.381 8.667 -7.794
168 HG2 LYS 19 HG2 LYS 19 22.444 8.726 -10.633
169 HG3 LYS 19 HG1 LYS 19 21.882 7.253 -9.830
170 HD2 LYS 19 HD2 LYS 19 20.207 9.741 -10.389
171 HD3 LYS 19 HD1 LYS 19 20.159 8.242 -11.323
172 HE2 LYS 19 HE2 LYS 19 19.310 7.024 -9.360
173 HE3 LYS 19 HE1 LYS 19 19.429 8.491 -8.378
174 HZ1 LYS 19 HZ1 LYS 19 17.677 8.100 -10.734
175 HZ2 LYS 19 HZ2 LYS 19 17.806 9.532 -9.838
176 HZ3 LYS 19 HZ3 LYS 19 17.182 8.143 -9.117
177 H VAL 20 HN VAL 20 21.097 12.300 -7.146
178 HA VAL 20 HA VAL 20 23.210 12.686 -5.207
179 HB VAL 20 HB VAL 20 20.388 13.845 -5.108
180 HG11 VAL 20 HG11 VAL 20 21.425 15.600 -3.678
181 HG12 VAL 20 HG12 VAL 20 22.965 14.737 -3.744
182 HG13 VAL 20 HG13 VAL 20 21.571 13.995 -2.955
183 HG21 VAL 20 HG21 VAL 20 21.341 15.875 -6.173
184 HG22 VAL 20 HG22 VAL 20 21.455 14.470 -7.236
185 HG23 VAL 20 HG23 VAL 20 22.888 15.042 -6.376
186 H GLU 21 HN GLU 21 23.495 11.376 -3.551
187 HA GLU 21 HA GLU 21 21.438 9.446 -2.760
188 HB2 GLU 21 HB2 GLU 21 24.401 9.444 -2.040
189 HB3 GLU 21 HB1 GLU 21 23.272 8.090 -1.929
190 HG2 GLU 21 HG2 GLU 21 24.181 9.404 -4.523
191 HG3 GLU 21 HG1 GLU 21 24.908 7.954 -3.822
192 H TYR 22 HN TYR 22 20.684 9.312 -0.711
193 HA TYR 22 HA TYR 22 21.614 11.219 1.362
194 HB2 TYR 22 HB2 TYR 22 18.739 10.490 0.600
195 HB3 TYR 22 HB1 TYR 22 19.172 11.375 2.057
196 HD1 TYR 22 HD1 TYR 22 19.064 11.576 -1.664
197 HD2 TYR 22 HD2 TYR 22 19.657 13.738 1.965
198 HE1 TYR 22 HE1 TYR 22 18.899 13.699 -2.888
199 HE2 TYR 22 HE2 TYR 22 19.479 15.853 0.749
200 HH TYR 22 HH TYR 22 18.420 16.022 -2.535
201 H LEU 23 HN LEU 23 22.618 9.785 2.790
202 HA LEU 23 HA LEU 23 21.492 7.306 3.679
203 HB2 LEU 23 HB2 LEU 23 23.901 8.054 4.028
204 HB3 LEU 23 HB1 LEU 23 23.319 9.216 5.206
205 HG LEU 23 HG LEU 23 22.441 7.291 6.584
206 HD11 LEU 23 HD11 LEU 23 23.969 5.568 4.615
207 HD12 LEU 23 HD12 LEU 23 22.216 5.612 4.825
208 HD13 LEU 23 HD13 LEU 23 23.242 5.026 6.131
209 HD21 LEU 23 HD21 LEU 23 25.429 7.255 6.035
210 HD22 LEU 23 HD22 LEU 23 24.633 6.610 7.475
211 HD23 LEU 23 HD23 LEU 23 24.585 8.340 7.146
212 H VAL 24 HN VAL 24 19.403 7.400 4.406
213 HA VAL 24 HA VAL 24 18.427 9.812 5.738
214 HB VAL 24 HB VAL 24 16.822 7.385 4.825
215 HG11 VAL 24 HG11 VAL 24 15.907 10.217 5.494
216 HG12 VAL 24 HG12 VAL 24 15.618 8.771 6.466
217 HG13 VAL 24 HG13 VAL 24 14.876 8.922 4.872
218 HG21 VAL 24 HG21 VAL 24 17.366 9.956 3.295
219 HG22 VAL 24 HG22 VAL 24 16.277 8.659 2.790
220 HG23 VAL 24 HG23 VAL 24 18.010 8.357 2.909
221 H LYS 25 HN LYS 25 18.490 9.867 7.929
222 HA LYS 25 HA LYS 25 18.443 7.458 9.551
223 HB2 LYS 25 HB2 LYS 25 19.771 9.413 10.285
224 HB3 LYS 25 HB1 LYS 25 18.324 10.408 10.344
225 HG2 LYS 25 HG2 LYS 25 18.975 9.739 12.591
226 HG3 LYS 25 HG1 LYS 25 17.419 9.016 12.162
227 HD2 LYS 25 HD2 LYS 25 18.553 6.862 11.681
228 HD3 LYS 25 HD1 LYS 25 20.112 7.585 12.094
229 HE2 LYS 25 HE2 LYS 25 17.754 7.109 13.955
230 HE3 LYS 25 HE1 LYS 25 19.323 6.301 13.993
231 HZ1 LYS 25 HZ1 LYS 25 19.194 7.972 15.704
232 HZ2 LYS 25 HZ2 LYS 25 18.808 9.175 14.578
233 HZ3 LYS 25 HZ3 LYS 25 20.337 8.449 14.552
234 H TRP 26 HN TRP 26 16.561 6.398 9.811
235 HA TRP 26 HA TRP 26 14.007 7.710 9.331
236 HB2 TRP 26 HB2 TRP 26 14.564 4.774 9.951
237 HB3 TRP 26 HB1 TRP 26 13.073 5.447 9.298
238 HD1 TRP 26 HD1 TRP 26 16.614 4.420 8.250
239 HE1 TRP 26 HE1 TRP 26 16.761 4.403 5.677
240 HE3 TRP 26 HE3 TRP 26 12.087 6.538 7.137
241 HZ2 TRP 26 HZ2 TRP 26 15.200 5.195 3.476
242 HZ3 TRP 26 HZ3 TRP 26 11.493 6.875 4.776
243 HH2 TRP 26 HH2 TRP 26 13.016 6.216 2.980
244 H LYS 27 HN LYS 27 14.183 9.053 11.196
245 HA LYS 27 HA LYS 27 13.780 9.816 13.252
246 HB2 LYS 27 HB2 LYS 27 11.501 9.056 12.588
247 HB3 LYS 27 HB1 LYS 27 11.788 7.525 13.413
248 HG2 LYS 27 HG2 LYS 27 12.046 8.754 15.569
249 HG3 LYS 27 HG1 LYS 27 11.703 10.269 14.725
250 HD2 LYS 27 HD2 LYS 27 9.442 9.430 14.147
251 HD3 LYS 27 HD1 LYS 27 9.789 7.909 14.980
252 HE2 LYS 27 HE2 LYS 27 10.067 9.184 17.113
253 HE3 LYS 27 HE1 LYS 27 9.634 10.670 16.263
254 HZ1 LYS 27 HZ1 LYS 27 7.889 8.280 16.524
255 HZ2 LYS 27 HZ2 LYS 27 7.468 9.745 15.800
256 HZ3 LYS 27 HZ3 LYS 27 7.765 9.678 17.466
257 H GLY 28 HN GLY 28 13.142 6.495 14.360
258 HA2 GLY 28 HA2 GLY 28 15.377 6.771 16.312
259 HA3 GLY 28 HA1 GLY 28 13.783 6.163 16.739
260 H TRP 29 HN TRP 29 14.690 5.114 13.662
261 HA TRP 29 HA TRP 29 15.212 2.402 14.405
262 HB2 TRP 29 HB2 TRP 29 15.388 3.928 11.782
263 HB3 TRP 29 HB1 TRP 29 15.939 2.259 11.889
264 HD1 TRP 29 HD1 TRP 29 12.631 4.194 12.723
265 HE1 TRP 29 HE1 TRP 29 10.670 2.676 12.048
266 HE3 TRP 29 HE3 TRP 29 15.270 0.113 11.140
267 HZ2 TRP 29 HZ2 TRP 29 10.288 0.087 10.991
268 HZ3 TRP 29 HZ3 TRP 29 14.036 -1.846 10.304
269 HH2 TRP 29 HH2 TRP 29 11.591 -1.858 10.230
270 HA PRO 30 HA PRO 30 19.445 2.958 15.703
271 HB2 PRO 30 HB2 PRO 30 20.366 0.346 15.216
272 HB3 PRO 30 HB1 PRO 30 19.509 0.876 16.668
273 HG2 PRO 30 HG2 PRO 30 18.434 -0.507 14.231
274 HG3 PRO 30 HG1 PRO 30 18.047 -0.787 15.940
275 HD2 PRO 30 HD2 PRO 30 16.380 0.599 14.353
276 HD3 PRO 30 HD1 PRO 30 16.627 1.080 16.051
277 HA PRO 31 HA PRO 31 21.699 4.573 12.346
278 HB2 PRO 31 HB2 PRO 31 24.106 3.095 13.450
279 HB3 PRO 31 HB1 PRO 31 23.973 4.776 12.906
280 HG2 PRO 31 HG2 PRO 31 23.896 4.252 15.493
281 HG3 PRO 31 HG1 PRO 31 22.757 5.430 14.808
282 HD2 PRO 31 HD2 PRO 31 22.256 2.605 15.698
283 HD3 PRO 31 HD1 PRO 31 21.197 4.029 15.805
284 H LYS 32 HN LYS 32 22.177 1.071 12.704
285 HA LYS 32 HA LYS 32 23.471 0.709 10.154
286 HB2 LYS 32 HB2 LYS 32 23.220 -1.721 10.593
287 HB3 LYS 32 HB1 LYS 32 23.956 -0.854 11.938
288 HG2 LYS 32 HG2 LYS 32 21.788 -0.892 13.141
289 HG3 LYS 32 HG1 LYS 32 21.064 -1.776 11.790
290 HD2 LYS 32 HD2 LYS 32 22.671 -3.636 12.164
291 HD3 LYS 32 HD1 LYS 32 23.368 -2.758 13.528
292 HE2 LYS 32 HE2 LYS 32 21.266 -2.930 14.751
293 HE3 LYS 32 HE1 LYS 32 20.480 -3.688 13.363
294 HZ1 LYS 32 HZ1 LYS 32 21.148 -5.317 15.014
295 HZ2 LYS 32 HZ2 LYS 32 22.756 -4.823 14.891
296 HZ3 LYS 32 HZ3 LYS 32 21.996 -5.554 13.569
297 H TYR 33 HN TYR 33 20.241 1.312 10.876
298 HA TYR 33 HA TYR 33 19.198 -0.040 8.464
299 HB2 TYR 33 HB2 TYR 33 17.770 1.107 10.895
300 HB3 TYR 33 HB1 TYR 33 16.915 0.584 9.449
301 HD1 TYR 33 HD2 TYR 33 16.793 -1.825 8.855
302 HD2 TYR 33 HD1 TYR 33 18.717 -0.538 12.447
303 HE1 TYR 33 HE2 TYR 33 16.729 -4.128 9.709
304 HE2 TYR 33 HE1 TYR 33 18.655 -2.841 13.301
305 HH TYR 33 HH TYR 33 17.962 -5.529 11.352
306 H SER 34 HN SER 34 20.468 2.939 9.295
307 HA SER 34 HA SER 34 18.751 4.629 7.719
308 HB2 SER 34 HB2 SER 34 20.627 6.264 7.788
309 HB3 SER 34 HB1 SER 34 20.271 5.627 9.393
310 HG SER 34 HG SER 34 22.262 4.402 7.828
311 H THR 35 HN THR 35 18.651 4.747 5.519
312 HA THR 35 HA THR 35 20.482 2.992 3.985
313 HB THR 35 HB THR 35 18.481 2.633 2.460
314 HG1 THR 35 HG1 THR 35 16.633 3.582 2.898
315 HG21 THR 35 HG21 THR 35 19.052 0.932 4.176
316 HG22 THR 35 HG22 THR 35 17.308 1.040 3.923
317 HG23 THR 35 HG23 THR 35 18.039 1.784 5.347
318 H TRP 36 HN TRP 36 21.348 3.703 2.100
319 HA TRP 36 HA TRP 36 21.359 6.507 1.441
320 HB2 TRP 36 HB2 TRP 36 22.747 4.083 0.218
321 HB3 TRP 36 HB1 TRP 36 22.888 5.686 -0.484
322 HD1 TRP 36 HD1 TRP 36 24.364 3.518 2.234
323 HE1 TRP 36 HE1 TRP 36 26.211 4.833 3.451
324 HE3 TRP 36 HE3 TRP 36 23.449 8.164 0.309
325 HZ2 TRP 36 HZ2 TRP 36 27.155 7.500 3.581
326 HZ3 TRP 36 HZ3 TRP 36 24.861 10.048 1.022
327 HH2 TRP 36 HH2 TRP 36 26.678 9.720 2.628
328 H GLU 37 HN GLU 37 19.210 6.865 0.841
329 HA GLU 37 HA GLU 37 18.136 5.585 -1.582
330 HB2 GLU 37 HB2 GLU 37 16.827 7.467 0.421
331 HB3 GLU 37 HB1 GLU 37 15.997 6.561 -0.844
332 HG2 GLU 37 HG2 GLU 37 17.372 5.424 1.617
333 HG3 GLU 37 HG1 GLU 37 15.630 5.592 1.374
334 HA PRO 38 HA PRO 38 19.312 9.343 -3.780
335 HB2 PRO 38 HB2 PRO 38 18.133 8.947 -6.183
336 HB3 PRO 38 HB1 PRO 38 19.479 7.945 -5.627
337 HG2 PRO 38 HG2 PRO 38 16.549 7.323 -5.672
338 HG3 PRO 38 HG1 PRO 38 17.926 6.263 -6.030
339 HD2 PRO 38 HD2 PRO 38 16.552 6.327 -3.592
340 HD3 PRO 38 HD1 PRO 38 18.189 5.677 -3.816
341 H GLU 39 HN GLU 39 18.452 11.206 -4.821
342 HA GLU 39 HA GLU 39 16.949 12.785 -3.294
343 HB2 GLU 39 HB2 GLU 39 16.798 14.311 -5.296
344 HB3 GLU 39 HB1 GLU 39 18.393 13.631 -5.007
345 HG2 GLU 39 HG2 GLU 39 17.803 11.849 -6.755
346 HG3 GLU 39 HG1 GLU 39 16.399 12.832 -7.154
347 H GLU 40 HN GLU 40 15.493 10.686 -5.696
348 HA GLU 40 HA GLU 40 13.061 12.090 -6.151
349 HB2 GLU 40 HB2 GLU 40 13.668 9.132 -6.536
350 HB3 GLU 40 HB1 GLU 40 12.361 10.032 -7.316
351 HG2 GLU 40 HG2 GLU 40 13.951 11.325 -8.605
352 HG3 GLU 40 HG1 GLU 40 15.310 10.649 -7.709
353 H HIS 41 HN HIS 41 14.008 9.742 -3.715
354 HA HIS 41 HA HIS 41 11.407 8.836 -2.958
355 HB2 HIS 41 HB2 HIS 41 12.484 7.521 -1.336
356 HB3 HIS 41 HB1 HIS 41 13.723 7.703 -2.566
357 HD1 HIS 41 HD1 HIS 41 15.265 10.071 -1.941
358 HD2 HIS 41 HD2 HIS 41 13.524 7.894 1.113
359 HE1 HIS 41 HE1 HIS 41 16.517 10.718 0.120
360 HE2 HIS 41 HE2 HIS 41 15.232 9.604 1.968
361 H ILE 42 HN ILE 42 12.978 11.777 -2.262
362 HA ILE 42 HA ILE 42 11.973 12.350 0.374
363 HB ILE 42 HB ILE 42 12.886 14.234 -1.861
364 HG12 ILE 42 HG12 ILE 42 14.665 12.588 -1.135
365 HG13 ILE 42 HG11 ILE 42 15.099 14.271 -0.871
366 HG21 ILE 42 HG21 ILE 42 12.552 14.823 1.099
367 HG22 ILE 42 HG22 ILE 42 11.562 15.450 -0.221
368 HG23 ILE 42 HG23 ILE 42 13.256 15.921 -0.094
369 HD11 ILE 42 HD11 ILE 42 14.132 12.355 1.247
370 HD12 ILE 42 HD12 ILE 42 14.601 14.038 1.507
371 HD13 ILE 42 HD13 ILE 42 15.798 12.861 0.971
372 H LEU 43 HN LEU 43 9.783 13.014 0.909
373 HA LEU 43 HA LEU 43 8.143 13.932 -1.431
374 HB2 LEU 43 HB2 LEU 43 6.113 13.272 -0.175
375 HB3 LEU 43 HB1 LEU 43 7.171 11.944 -0.572
376 HG LEU 43 HG LEU 43 7.983 12.030 1.866
377 HD11 LEU 43 HD11 LEU 43 7.189 14.216 2.540
378 HD12 LEU 43 HD12 LEU 43 6.410 12.980 3.518
379 HD13 LEU 43 HD13 LEU 43 5.517 13.755 2.210
380 HD21 LEU 43 HD21 LEU 43 6.518 10.258 1.021
381 HD22 LEU 43 HD22 LEU 43 5.096 11.258 1.336
382 HD23 LEU 43 HD23 LEU 43 6.091 10.687 2.678
383 H ASP 44 HN ASP 44 9.782 15.296 1.064
384 HA ASP 44 HA ASP 44 7.912 17.571 1.288
385 HB2 ASP 44 HB2 ASP 44 7.973 17.582 3.681
386 HB3 ASP 44 HB1 ASP 44 7.591 15.934 3.214
387 HA PRO 45 HA PRO 45 11.664 20.054 0.980
388 HB2 PRO 45 HB2 PRO 45 10.961 22.303 2.404
389 HB3 PRO 45 HB1 PRO 45 10.336 21.950 0.789
390 HG2 PRO 45 HG2 PRO 45 9.044 21.449 3.470
391 HG3 PRO 45 HG1 PRO 45 8.331 22.151 2.001
392 HD2 PRO 45 HD2 PRO 45 7.925 19.566 2.665
393 HD3 PRO 45 HD1 PRO 45 8.086 20.069 0.967
394 H ARG 46 HN ARG 46 10.288 19.543 4.205
395 HA ARG 46 HA ARG 46 12.260 20.901 5.695
396 HB2 ARG 46 HB2 ARG 46 10.281 18.764 6.587
397 HB3 ARG 46 HB1 ARG 46 11.233 19.774 7.678
398 HG2 ARG 46 HG2 ARG 46 10.123 21.796 6.718
399 HG3 ARG 46 HG1 ARG 46 9.115 20.738 5.724
400 HD2 ARG 46 HD2 ARG 46 8.103 19.763 7.724
401 HD3 ARG 46 HD1 ARG 46 9.192 20.695 8.766
402 HE ARG 46 HE ARG 46 7.228 21.996 6.956
403 HH11 ARG 46 HH11 ARG 46 8.576 21.616 10.189
404 HH12 ARG 46 HH12 ARG 46 7.694 22.957 10.846
405 HH21 ARG 46 HH21 ARG 46 6.084 23.763 7.839
406 HH22 ARG 46 HH22 ARG 46 6.276 24.167 9.515
407 H LEU 47 HN LEU 47 12.172 17.621 4.514
408 HA LEU 47 HA LEU 47 13.964 16.438 6.379
409 HB2 LEU 47 HB2 LEU 47 12.351 15.163 5.060
410 HB3 LEU 47 HB1 LEU 47 13.157 15.614 3.572
411 HG LEU 47 HG LEU 47 15.036 14.189 4.031
412 HD11 LEU 47 HD11 LEU 47 15.413 14.594 6.381
413 HD12 LEU 47 HD12 LEU 47 15.249 12.861 6.114
414 HD13 LEU 47 HD13 LEU 47 13.910 13.774 6.812
415 HD21 LEU 47 HD21 LEU 47 13.041 13.049 3.152
416 HD22 LEU 47 HD22 LEU 47 12.493 12.715 4.797
417 HD23 LEU 47 HD23 LEU 47 13.979 11.976 4.192
418 H VAL 48 HN VAL 48 14.512 17.569 3.035
419 HA VAL 48 HA VAL 48 17.341 17.065 3.009
420 HB VAL 48 HB VAL 48 15.675 18.884 1.196
421 HG11 VAL 48 HG11 VAL 48 18.428 17.676 0.709
422 HG12 VAL 48 HG12 VAL 48 18.076 19.383 0.989
423 HG13 VAL 48 HG13 VAL 48 17.485 18.591 -0.472
424 HG21 VAL 48 HG21 VAL 48 16.446 15.964 0.799
425 HG22 VAL 48 HG22 VAL 48 15.575 16.971 -0.362
426 HG23 VAL 48 HG23 VAL 48 14.830 16.565 1.184
427 H MET 49 HN MET 49 15.313 19.814 3.754
428 HA MET 49 HA MET 49 17.389 21.796 3.910
429 HB2 MET 49 HB2 MET 49 14.487 21.839 4.850
430 HB3 MET 49 HB1 MET 49 15.552 23.249 4.809
431 HG2 MET 49 HG2 MET 49 15.720 23.083 2.380
432 HG3 MET 49 HG1 MET 49 14.765 21.603 2.386
433 HE1 MET 49 HE1 MET 49 13.087 25.822 3.296
434 HE2 MET 49 HE2 MET 49 14.727 25.511 2.725
435 HE3 MET 49 HE3 MET 49 14.253 25.026 4.353
436 H ALA 50 HN ALA 50 15.902 19.554 6.162
437 HA ALA 50 HA ALA 50 16.724 20.691 8.634
438 HB1 ALA 50 HB1 ALA 50 15.040 18.892 8.533
439 HB2 ALA 50 HB2 ALA 50 16.370 18.450 9.605
440 HB3 ALA 50 HB3 ALA 50 16.269 17.753 7.983
441 H TYR 51 HN TYR 51 18.291 18.523 6.344
442 HA TYR 51 HA TYR 51 20.507 17.598 7.751
443 HB2 TYR 51 HB2 TYR 51 19.887 16.741 5.540
444 HB3 TYR 51 HB1 TYR 51 20.211 18.299 4.796
445 HD1 TYR 51 HD2 TYR 51 21.861 15.453 6.555
446 HD2 TYR 51 HD1 TYR 51 22.411 18.790 3.955
447 HE1 TYR 51 HE2 TYR 51 24.141 14.715 6.101
448 HE2 TYR 51 HE1 TYR 51 24.713 18.063 3.504
449 HH TYR 51 HH TYR 51 26.466 16.687 4.587
450 H GLU 52 HN GLU 52 20.176 20.494 5.755
451 HA GLU 52 HA GLU 52 22.861 21.415 5.909
452 HB2 GLU 52 HB2 GLU 52 20.344 23.030 5.286
453 HB3 GLU 52 HB1 GLU 52 21.999 23.419 4.799
454 HG2 GLU 52 HG2 GLU 52 22.067 21.525 3.298
455 HG3 GLU 52 HG1 GLU 52 20.510 20.936 3.883
456 H GLU 53 HN GLU 53 19.907 22.260 7.667
457 HA GLU 53 HA GLU 53 21.385 24.070 9.492
458 HB2 GLU 53 HB2 GLU 53 18.389 23.850 8.938
459 HB3 GLU 53 HB1 GLU 53 19.163 25.036 9.989
460 HG2 GLU 53 HG2 GLU 53 20.319 26.028 8.067
461 HG3 GLU 53 HG1 GLU 53 19.642 24.804 6.995
462 H LYS 54 HN LYS 54 21.920 21.494 10.000
463 HA LYS 54 HA LYS 54 20.430 20.875 12.487
464 HB2 LYS 54 HB2 LYS 54 20.302 19.137 10.647
465 HB3 LYS 54 HB1 LYS 54 22.047 18.959 10.734
466 HG2 LYS 54 HG2 LYS 54 20.980 17.146 11.927
467 HG3 LYS 54 HG1 LYS 54 21.839 18.173 13.073
468 HD2 LYS 54 HD2 LYS 54 19.671 17.486 13.986
469 HD3 LYS 54 HD1 LYS 54 19.704 19.231 13.746
470 HE2 LYS 54 HE2 LYS 54 18.534 17.453 11.610
471 HE3 LYS 54 HE1 LYS 54 17.580 17.849 13.037
472 HZ1 LYS 54 HZ1 LYS 54 18.694 19.738 11.041
473 HZ2 LYS 54 HZ2 LYS 54 17.935 20.215 12.475
474 HZ3 LYS 54 HZ3 LYS 54 17.065 19.365 11.308
475 H GLU 55 HN GLU 55 21.644 21.636 14.183
476 HA GLU 55 HA GLU 55 24.549 21.355 14.223
477 HB2 GLU 55 HB2 GLU 55 22.572 22.401 16.293
478 HB3 GLU 55 HB1 GLU 55 24.280 22.188 16.640
479 HG2 GLU 55 HG2 GLU 55 23.883 24.498 16.141
480 HG3 GLU 55 HG1 GLU 55 24.845 23.794 14.842
481 H GLU 56 HN GLU 56 24.533 19.096 13.846
482 HA GLU 56 HA GLU 56 23.561 17.312 15.967
483 HB2 GLU 56 HB2 GLU 56 23.372 16.996 13.286
484 HB3 GLU 56 HB1 GLU 56 24.964 16.283 13.485
485 HG2 GLU 56 HG2 GLU 56 22.386 15.364 14.807
486 HG3 GLU 56 HG1 GLU 56 23.198 14.588 13.451
487 H1 ALA 1 HT1 ALA 1 1.391 14.794 1.691
488 H2 ALA 1 HT2 ALA 1 2.824 15.558 1.228
489 H3 ALA 1 HT3 ALA 1 1.444 16.479 1.558
490 HA ALA 1 HA ALA 1 1.493 15.809 3.854
491 HB1 ALA 1 HB1 ALA 1 3.435 14.531 4.712
492 HB2 ALA 1 HB2 ALA 1 4.034 14.349 3.063
493 HB3 ALA 1 HB3 ALA 1 2.509 13.599 3.533
494 H ARG 2 HN ARG 2 1.703 17.943 4.344
495 HA ARG 2 HA ARG 2 3.950 19.555 3.389
496 HB2 ARG 2 HB2 ARG 2 1.527 20.367 5.052
497 HB3 ARG 2 HB1 ARG 2 2.660 21.468 4.268
498 HG2 ARG 2 HG2 ARG 2 0.712 19.581 2.887
499 HG3 ARG 2 HG1 ARG 2 0.554 21.335 3.037
500 HD2 ARG 2 HD2 ARG 2 2.698 21.557 1.716
501 HD3 ARG 2 HD1 ARG 2 2.640 19.808 1.437
502 HE ARG 2 HE ARG 2 0.189 20.659 0.609
503 HH11 ARG 2 HH11 ARG 2 3.452 21.636 -0.289
504 HH12 ARG 2 HH12 ARG 2 2.983 22.166 -1.872
505 HH21 ARG 2 HH21 ARG 2 -0.411 21.371 -1.457
506 HH22 ARG 2 HH22 ARG 2 0.789 22.017 -2.534
507 H THR 3 HN THR 3 2.546 18.468 6.465
508 HA THR 3 HA THR 3 4.661 19.700 8.081
509 HB THR 3 HB THR 3 3.261 18.741 10.026
510 HG1 THR 3 HG1 THR 3 1.161 18.059 9.486
511 HG21 THR 3 HG21 THR 3 1.516 20.471 9.880
512 HG22 THR 3 HG22 THR 3 1.854 20.696 8.164
513 HG23 THR 3 HG23 THR 3 3.075 21.124 9.367
514 H LYS 4 HN LYS 4 3.603 16.518 6.976
515 HA LYS 4 HA LYS 4 5.151 14.978 8.851
516 HB2 LYS 4 HB2 LYS 4 4.074 14.049 6.151
517 HB3 LYS 4 HB1 LYS 4 4.611 13.027 7.481
518 HG2 LYS 4 HG2 LYS 4 2.155 14.806 7.440
519 HG3 LYS 4 HG1 LYS 4 2.189 13.046 7.315
520 HD2 LYS 4 HD2 LYS 4 3.112 12.929 9.629
521 HD3 LYS 4 HD1 LYS 4 3.010 14.692 9.745
522 HE2 LYS 4 HE2 LYS 4 0.544 14.544 9.406
523 HE3 LYS 4 HE1 LYS 4 0.673 12.782 9.350
524 HZ1 LYS 4 HZ1 LYS 4 1.387 14.507 11.654
525 HZ2 LYS 4 HZ2 LYS 4 1.513 12.822 11.609
526 HZ3 LYS 4 HZ3 LYS 4 -0.006 13.555 11.519
527 H GLN 5 HN GLN 5 7.302 15.442 8.822
528 HA GLN 5 HA GLN 5 8.925 15.507 6.459
529 HB2 GLN 5 HB2 GLN 5 9.532 16.524 8.753
530 HB3 GLN 5 HB1 GLN 5 9.865 14.882 9.301
531 HG2 GLN 5 HG2 GLN 5 11.528 14.747 7.337
532 HG3 GLN 5 HG1 GLN 5 11.331 16.492 7.183
533 HE21 GLN 5 HE21 GLN 5 11.439 14.596 10.175
534 HE22 GLN 5 HE22 GLN 5 12.900 15.289 10.766
535 H THR 6 HN THR 6 8.938 13.692 5.197
536 HA THR 6 HA THR 6 9.221 11.015 6.348
537 HB THR 6 HB THR 6 6.726 11.748 4.740
538 HG1 THR 6 HG1 THR 6 7.226 11.674 7.473
539 HG21 THR 6 HG21 THR 6 5.912 9.499 5.345
540 HG22 THR 6 HG22 THR 6 7.443 9.154 6.149
541 HG23 THR 6 HG23 THR 6 7.400 9.396 4.400
542 H ALA 7 HN ALA 7 9.674 9.398 4.787
543 HA ALA 7 HA ALA 7 10.270 10.209 2.020
544 HB1 ALA 7 HB1 ALA 7 12.324 10.645 3.316
545 HB2 ALA 7 HB2 ALA 7 12.556 9.323 2.181
546 HB3 ALA 7 HB3 ALA 7 12.326 8.980 3.896
547 H ARG 8 HN ARG 8 10.330 8.473 0.566
548 HA ARG 8 HA ARG 8 9.108 5.947 1.399
549 HB2 ARG 8 HB2 ARG 8 10.050 6.748 -1.397
550 HB3 ARG 8 HB1 ARG 8 9.043 5.369 -0.989
551 HG2 ARG 8 HG2 ARG 8 7.580 6.931 -1.955
552 HG3 ARG 8 HG1 ARG 8 7.278 7.065 -0.223
553 HD2 ARG 8 HD2 ARG 8 8.562 9.106 -0.098
554 HD3 ARG 8 HD1 ARG 8 9.132 8.908 -1.758
555 HE ARG 8 HE ARG 8 6.280 9.349 -1.120
556 HH11 ARG 8 HH11 ARG 8 9.159 10.254 -2.922
557 HH12 ARG 8 HH12 ARG 8 8.329 11.424 -3.895
558 HH21 ARG 8 HH21 ARG 8 5.205 10.898 -2.385
559 HH22 ARG 8 HH22 ARG 8 6.087 11.794 -3.585
560 H M3L 9 HN M3L 9 10.124 3.884 0.976
561 HA M3L 9 HA M3L 9 13.070 3.938 0.745
562 HB2 M3L 9 HB2 M3L 9 11.236 1.625 1.532
563 HB3 M3L 9 HB1 M3L 9 13.005 1.610 1.558
564 HG2 M3L 9 HG2 M3L 9 12.836 3.571 3.212
565 HG3 M3L 9 HG1 M3L 9 11.114 3.190 3.334
566 HD2 M3L 9 HD2 M3L 9 11.668 0.924 4.151
567 HD3 M3L 9 HD1 M3L 9 13.395 1.274 3.976
568 HE2 M3L 9 HE2 M3L 9 12.991 3.247 5.581
569 HE3 M3L 9 HE1 M3L 9 11.426 2.512 5.913
570 HM11 M3L 9 HH33 M3L 9 13.414 1.428 8.809
571 HM12 M3L 9 HH31 M3L 9 11.882 2.138 8.289
572 HM13 M3L 9 HH32 M3L 9 13.391 3.028 8.062
573 HM21 M3L 9 HH11 M3L 9 12.911 -0.609 7.451
574 HM22 M3L 9 HH12 M3L 9 12.583 -0.466 5.722
575 HM23 M3L 9 HH13 M3L 9 11.393 0.104 6.896
576 HM31 M3L 9 HH21 M3L 9 15.079 0.636 7.140
577 HM32 M3L 9 HH22 M3L 9 15.085 2.233 6.385
578 HM33 M3L 9 HH23 M3L 9 14.754 0.796 5.411
579 H SER 10 HN SER 10 13.844 1.788 -0.438
580 HA SER 10 HA SER 10 13.525 2.200 -3.159
581 HB2 SER 10 HB2 SER 10 14.642 -0.109 -3.347
582 HB3 SER 10 HB1 SER 10 15.490 1.098 -2.379
583 HG SER 10 HG SER 10 13.860 -1.026 -1.440
584 H THR 11 HN THR 11 11.651 2.087 -4.190
585 HA THR 11 HA THR 11 9.674 -0.031 -3.590
586 HB THR 11 HB THR 11 8.705 2.034 -2.889
587 HG1 THR 11 HG1 THR 11 7.642 1.909 -5.507
588 HG21 THR 11 HG21 THR 11 10.269 3.615 -3.975
589 HG22 THR 11 HG22 THR 11 8.586 4.082 -4.241
590 HG23 THR 11 HG23 THR 11 9.500 3.303 -5.534
591 H GLY 12 HN GLY 12 8.739 -1.142 -5.234
592 HA2 GLY 12 HA2 GLY 12 9.727 -0.863 -7.968
593 HA3 GLY 12 HA1 GLY 12 8.686 -2.135 -7.339
594 H GLY 13 HN GLY 13 8.452 -0.339 -9.738
595 HA2 GLY 13 HA2 GLY 13 5.710 -0.139 -9.978
596 HA3 GLY 13 HA1 GLY 13 6.224 1.426 -9.350
597 H LYS 14 HN LYS 14 5.140 1.912 -11.557
598 HA LYS 14 HA LYS 14 7.221 2.416 -13.527
599 HB2 LYS 14 HB2 LYS 14 6.440 0.124 -14.128
600 HB3 LYS 14 HB1 LYS 14 4.787 0.717 -14.242
601 HG2 LYS 14 HG2 LYS 14 5.501 2.197 -16.125
602 HG3 LYS 14 HG1 LYS 14 7.112 1.478 -16.041
603 HD2 LYS 14 HD2 LYS 14 4.561 -0.112 -16.580
604 HD3 LYS 14 HD1 LYS 14 5.591 0.547 -17.849
605 HE2 LYS 14 HE2 LYS 14 6.142 -1.780 -17.596
606 HE3 LYS 14 HE1 LYS 14 7.482 -0.855 -16.939
607 HZ1 LYS 14 HZ1 LYS 14 6.862 -2.782 -15.584
608 HZ2 LYS 14 HZ2 LYS 14 5.342 -2.099 -15.301
609 HZ3 LYS 14 HZ3 LYS 14 6.735 -1.332 -14.728
610 H ALA 15 HN ALA 15 6.914 4.432 -14.219
611 HA ALA 15 HA ALA 15 4.610 5.303 -15.562
612 HB1 ALA 15 HB1 ALA 15 3.910 7.235 -14.164
613 HB2 ALA 15 HB2 ALA 15 5.015 6.716 -12.888
614 HB3 ALA 15 HB3 ALA 15 3.636 5.708 -13.324
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 2.198 -1.463 -2.837
2 H2 GLY 1 HT2 GLY 1 1.953 -0.603 -4.269
3 H3 GLY 1 HT3 GLY 1 0.627 -1.199 -3.404
4 HA2 GLY 1 HA1 GLY 1 0.837 1.164 -3.042
5 HA3 GLY 1 HA2 GLY 1 1.133 0.270 -1.556
6 H GLU 2 HN GLU 2 2.271 2.217 -0.837
7 HA GLU 2 HA GLU 2 5.098 2.265 -1.735
8 HB2 GLU 2 HB2 GLU 2 3.479 4.658 -0.726
9 HB3 GLU 2 HB1 GLU 2 5.200 4.673 -1.105
10 HG2 GLU 2 HG2 GLU 2 2.915 4.284 -3.052
11 HG3 GLU 2 HG1 GLU 2 3.942 5.707 -2.891
12 H GLN 3 HN GLN 3 6.636 2.374 -0.108
13 HA GLN 3 HA GLN 3 5.734 1.836 2.648
14 HB2 GLN 3 HB2 GLN 3 7.229 0.160 1.572
15 HB3 GLN 3 HB1 GLN 3 8.460 1.394 1.334
16 HG2 GLN 3 HG2 GLN 3 8.907 1.546 3.667
17 HG3 GLN 3 HG1 GLN 3 7.445 0.660 4.087
18 HE21 GLN 3 HE21 GLN 3 7.444 -1.611 3.934
19 HE22 GLN 3 HE22 GLN 3 8.902 -2.520 3.768
20 H VAL 4 HN VAL 4 5.184 4.016 3.107
21 HA VAL 4 HA VAL 4 7.231 6.113 2.948
22 HB VAL 4 HB VAL 4 5.512 7.734 3.418
23 HG11 VAL 4 HG11 VAL 4 5.480 6.868 1.123
24 HG12 VAL 4 HG12 VAL 4 3.857 7.336 1.625
25 HG13 VAL 4 HG13 VAL 4 4.310 5.628 1.582
26 HG21 VAL 4 HG21 VAL 4 4.300 6.627 5.256
27 HG22 VAL 4 HG22 VAL 4 3.594 5.473 4.125
28 HG23 VAL 4 HG23 VAL 4 3.162 7.184 4.024
29 H PHE 5 HN PHE 5 8.133 7.144 4.718
30 HA PHE 5 HA PHE 5 7.282 6.432 7.446
31 HB2 PHE 5 HB2 PHE 5 10.072 6.069 6.291
32 HB3 PHE 5 HB1 PHE 5 9.881 6.434 8.000
33 HD1 PHE 5 HD2 PHE 5 9.077 3.909 5.368
34 HD2 PHE 5 HD1 PHE 5 9.218 4.732 9.565
35 HE1 PHE 5 HE2 PHE 5 8.687 1.533 5.860
36 HE2 PHE 5 HE1 PHE 5 8.828 2.351 10.036
37 HZ PHE 5 HZ PHE 5 8.557 0.754 8.186
38 H ALA 6 HN ALA 6 7.202 8.124 8.793
39 HA ALA 6 HA ALA 6 8.300 10.743 8.124
40 HB1 ALA 6 HB1 ALA 6 7.413 11.425 10.338
41 HB2 ALA 6 HB2 ALA 6 6.976 9.750 10.691
42 HB3 ALA 6 HB3 ALA 6 6.173 10.616 9.378
43 H VAL 7 HN VAL 7 10.411 11.206 8.519
44 HA VAL 7 HA VAL 7 12.007 9.185 9.977
45 HB VAL 7 HB VAL 7 13.800 9.567 8.440
46 HG11 VAL 7 HG11 VAL 7 11.980 8.175 7.534
47 HG12 VAL 7 HG12 VAL 7 12.765 9.081 6.241
48 HG13 VAL 7 HG13 VAL 7 11.197 9.606 6.856
49 HG21 VAL 7 HG21 VAL 7 12.262 11.951 7.351
50 HG22 VAL 7 HG22 VAL 7 13.781 11.327 6.700
51 HG23 VAL 7 HG23 VAL 7 13.733 12.016 8.323
52 H GLU 8 HN GLU 8 13.972 9.887 11.037
53 HA GLU 8 HA GLU 8 13.557 12.073 12.813
54 HB2 GLU 8 HB2 GLU 8 14.712 10.037 13.525
55 HB3 GLU 8 HB1 GLU 8 16.011 10.321 12.370
56 HG2 GLU 8 HG2 GLU 8 16.823 12.195 13.603
57 HG3 GLU 8 HG1 GLU 8 15.355 12.279 14.580
58 H SER 9 HN SER 9 16.070 11.477 10.326
59 HA SER 9 HA SER 9 16.193 14.227 9.470
60 HB2 SER 9 HB2 SER 9 18.552 13.063 11.038
61 HB3 SER 9 HB1 SER 9 18.684 14.494 10.020
62 HG SER 9 HG SER 9 16.639 14.741 11.792
63 H ILE 10 HN ILE 10 17.983 14.473 7.761
64 HA ILE 10 HA ILE 10 18.766 12.037 6.363
65 HB ILE 10 HB ILE 10 19.692 14.934 6.017
66 HG12 ILE 10 HG12 ILE 10 17.321 14.628 5.391
67 HG13 ILE 10 HG11 ILE 10 18.312 14.988 3.982
68 HG21 ILE 10 HG21 ILE 10 21.450 13.412 5.263
69 HG22 ILE 10 HG22 ILE 10 20.709 14.217 3.880
70 HG23 ILE 10 HG23 ILE 10 20.295 12.541 4.246
71 HD11 ILE 10 HD11 ILE 10 16.671 13.310 3.462
72 HD12 ILE 10 HD12 ILE 10 17.241 12.280 4.772
73 HD13 ILE 10 HD13 ILE 10 18.281 12.597 3.379
74 H ARG 11 HN ARG 11 20.382 10.807 7.206
75 HA ARG 11 HA ARG 11 22.203 11.665 9.253
76 HB2 ARG 11 HB2 ARG 11 21.291 9.252 8.751
77 HB3 ARG 11 HB1 ARG 11 22.557 9.155 7.545
78 HG2 ARG 11 HG2 ARG 11 22.992 9.555 10.535
79 HG3 ARG 11 HG1 ARG 11 23.160 8.028 9.673
80 HD2 ARG 11 HD2 ARG 11 25.008 9.090 8.318
81 HD3 ARG 11 HD1 ARG 11 24.887 10.509 9.362
82 HE ARG 11 HE ARG 11 25.300 8.042 10.793
83 HH11 ARG 11 HH11 ARG 11 26.964 10.719 9.212
84 HH12 ARG 11 HH12 ARG 11 28.465 10.376 10.006
85 HH21 ARG 11 HH21 ARG 11 27.267 7.630 11.778
86 HH22 ARG 11 HH22 ARG 11 28.636 8.637 11.438
87 H LYS 12 HN LYS 12 22.796 10.519 5.882
88 HA LYS 12 HA LYS 12 24.939 12.542 5.542
89 HB2 LYS 12 HB2 LYS 12 25.048 9.622 4.657
90 HB3 LYS 12 HB1 LYS 12 26.144 10.861 4.045
91 HG2 LYS 12 HG2 LYS 12 26.957 11.229 6.379
92 HG3 LYS 12 HG1 LYS 12 25.926 9.897 6.912
93 HD2 LYS 12 HD2 LYS 12 27.166 8.332 5.472
94 HD3 LYS 12 HD1 LYS 12 28.158 9.657 4.852
95 HE2 LYS 12 HE2 LYS 12 29.065 10.019 7.135
96 HE3 LYS 12 HE1 LYS 12 28.097 8.664 7.726
97 HZ1 LYS 12 HZ1 LYS 12 30.376 8.026 7.266
98 HZ2 LYS 12 HZ2 LYS 12 30.213 8.500 5.653
99 HZ3 LYS 12 HZ3 LYS 12 29.310 7.202 6.252
100 H LYS 13 HN LYS 13 25.427 12.987 3.295
101 HA LYS 13 HA LYS 13 23.298 12.648 1.323
102 HB2 LYS 13 HB2 LYS 13 22.556 14.649 2.552
103 HB3 LYS 13 HB1 LYS 13 24.164 15.360 2.448
104 HG2 LYS 13 HG2 LYS 13 23.875 15.450 -0.067
105 HG3 LYS 13 HG1 LYS 13 22.204 14.912 0.165
106 HD2 LYS 13 HD2 LYS 13 21.768 16.928 1.559
107 HD3 LYS 13 HD1 LYS 13 23.435 17.457 1.304
108 HE2 LYS 13 HE2 LYS 13 22.970 17.585 -1.150
109 HE3 LYS 13 HE1 LYS 13 21.287 17.155 -0.828
110 HZ1 LYS 13 HZ1 LYS 13 21.143 19.143 0.574
111 HZ2 LYS 13 HZ2 LYS 13 21.497 19.505 -1.033
112 HZ3 LYS 13 HZ3 LYS 13 22.718 19.563 0.130
113 H ARG 14 HN ARG 14 24.129 12.836 -0.749
114 HA ARG 14 HA ARG 14 26.746 13.855 -1.363
115 HB2 ARG 14 HB2 ARG 14 27.818 11.699 -1.912
116 HB3 ARG 14 HB1 ARG 14 27.369 11.731 -0.207
117 HG2 ARG 14 HG2 ARG 14 25.333 10.399 -0.732
118 HG3 ARG 14 HG1 ARG 14 25.835 10.316 -2.423
119 HD2 ARG 14 HD2 ARG 14 27.398 9.221 -0.061
120 HD3 ARG 14 HD1 ARG 14 26.380 8.265 -1.147
121 HE ARG 14 HE ARG 14 28.686 9.782 -2.200
122 HH11 ARG 14 HH11 ARG 14 27.090 6.690 -1.746
123 HH12 ARG 14 HH12 ARG 14 28.236 5.824 -2.714
124 HH21 ARG 14 HH21 ARG 14 30.156 8.636 -3.491
125 HH22 ARG 14 HH22 ARG 14 29.965 6.923 -3.700
126 H VAL 15 HN VAL 15 27.364 12.839 -3.654
127 HA VAL 15 HA VAL 15 25.011 12.129 -5.246
128 HB VAL 15 HB VAL 15 25.238 14.534 -5.619
129 HG11 VAL 15 HG11 VAL 15 27.235 15.584 -6.611
130 HG12 VAL 15 HG12 VAL 15 28.094 14.044 -6.512
131 HG13 VAL 15 HG13 VAL 15 27.592 14.868 -5.036
132 HG21 VAL 15 HG21 VAL 15 24.523 13.161 -7.524
133 HG22 VAL 15 HG22 VAL 15 26.199 12.990 -8.051
134 HG23 VAL 15 HG23 VAL 15 25.422 14.576 -8.080
135 H ARG 16 HN ARG 16 25.420 10.415 -6.410
136 HA ARG 16 HA ARG 16 28.158 9.377 -6.776
137 HB2 ARG 16 HB2 ARG 16 27.012 8.229 -4.920
138 HB3 ARG 16 HB1 ARG 16 25.606 7.921 -5.929
139 HG2 ARG 16 HG2 ARG 16 27.006 6.420 -7.358
140 HG3 ARG 16 HG1 ARG 16 28.367 6.676 -6.258
141 HD2 ARG 16 HD2 ARG 16 27.103 5.680 -4.417
142 HD3 ARG 16 HD1 ARG 16 25.673 5.517 -5.443
143 HE ARG 16 HE ARG 16 27.861 4.115 -6.594
144 HH11 ARG 16 HH11 ARG 16 25.594 3.834 -3.909
145 HH12 ARG 16 HH12 ARG 16 25.712 2.105 -3.848
146 HH21 ARG 16 HH21 ARG 16 27.970 1.870 -6.513
147 HH22 ARG 16 HH22 ARG 16 27.045 0.992 -5.335
148 H LYS 17 HN LYS 17 28.475 9.623 -8.929
149 HA LYS 17 HA LYS 17 28.356 9.365 -11.197
150 HB2 LYS 17 HB2 LYS 17 26.061 7.434 -10.662
151 HB3 LYS 17 HB1 LYS 17 26.968 7.569 -12.167
152 HG2 LYS 17 HG2 LYS 17 28.926 6.604 -11.194
153 HG3 LYS 17 HG1 LYS 17 28.296 6.794 -9.554
154 HD2 LYS 17 HD2 LYS 17 27.130 4.929 -11.665
155 HD3 LYS 17 HD1 LYS 17 28.186 4.439 -10.335
156 HE2 LYS 17 HE2 LYS 17 26.493 5.139 -8.693
157 HE3 LYS 17 HE1 LYS 17 25.463 5.752 -9.989
158 HZ1 LYS 17 HZ1 LYS 17 26.232 2.926 -9.566
159 HZ2 LYS 17 HZ2 LYS 17 25.281 3.501 -10.841
160 HZ3 LYS 17 HZ3 LYS 17 24.722 3.613 -9.250
161 H GLY 18 HN GLY 18 26.705 11.392 -9.776
162 HA2 GLY 18 HA2 GLY 18 25.433 13.173 -10.656
163 HA3 GLY 18 HA1 GLY 18 24.865 12.139 -11.955
164 H LYS 19 HN LYS 19 24.356 10.094 -9.593
165 HA LYS 19 HA LYS 19 21.588 10.868 -9.077
166 HB2 LYS 19 HB2 LYS 19 23.264 8.403 -8.464
167 HB3 LYS 19 HB1 LYS 19 21.668 8.608 -7.760
168 HG2 LYS 19 HG2 LYS 19 22.208 8.572 -10.747
169 HG3 LYS 19 HG1 LYS 19 21.750 7.154 -9.797
170 HD2 LYS 19 HD2 LYS 19 20.088 9.659 -10.268
171 HD3 LYS 19 HD1 LYS 19 19.778 8.043 -10.907
172 HE2 LYS 19 HE2 LYS 19 19.580 8.949 -8.014
173 HE3 LYS 19 HE1 LYS 19 18.264 8.428 -9.063
174 HZ1 LYS 19 HZ1 LYS 19 19.270 6.201 -9.095
175 HZ2 LYS 19 HZ2 LYS 19 18.848 6.686 -7.533
176 HZ3 LYS 19 HZ3 LYS 19 20.463 6.722 -8.024
177 H VAL 20 HN VAL 20 21.231 12.295 -7.451
178 HA VAL 20 HA VAL 20 23.044 12.713 -5.258
179 HB VAL 20 HB VAL 20 20.193 13.780 -5.545
180 HG11 VAL 20 HG11 VAL 20 20.941 15.565 -3.995
181 HG12 VAL 20 HG12 VAL 20 22.518 14.787 -3.854
182 HG13 VAL 20 HG13 VAL 20 21.076 13.970 -3.245
183 HG21 VAL 20 HG21 VAL 20 21.524 14.423 -7.515
184 HG22 VAL 20 HG22 VAL 20 22.798 15.059 -6.469
185 HG23 VAL 20 HG23 VAL 20 21.210 15.830 -6.494
186 H GLU 21 HN GLU 21 23.163 11.382 -3.553
187 HA GLU 21 HA GLU 21 20.917 9.553 -2.934
188 HB2 GLU 21 HB2 GLU 21 23.915 9.184 -2.525
189 HB3 GLU 21 HB1 GLU 21 22.681 8.027 -2.025
190 HG2 GLU 21 HG2 GLU 21 23.265 8.879 -4.880
191 HG3 GLU 21 HG1 GLU 21 23.762 7.360 -4.138
192 H TYR 22 HN TYR 22 20.332 9.176 -0.829
193 HA TYR 22 HA TYR 22 21.344 11.002 1.271
194 HB2 TYR 22 HB2 TYR 22 18.441 10.446 0.511
195 HB3 TYR 22 HB1 TYR 22 18.913 11.211 2.024
196 HD1 TYR 22 HD1 TYR 22 18.646 11.687 -1.639
197 HD2 TYR 22 HD2 TYR 22 19.729 13.512 2.069
198 HE1 TYR 22 HE1 TYR 22 18.659 13.894 -2.720
199 HE2 TYR 22 HE2 TYR 22 19.729 15.711 0.994
200 HH TYR 22 HH TYR 22 18.379 16.305 -2.004
201 H LEU 23 HN LEU 23 22.245 9.644 2.718
202 HA LEU 23 HA LEU 23 21.121 7.136 3.582
203 HB2 LEU 23 HB2 LEU 23 23.556 7.795 3.829
204 HB3 LEU 23 HB1 LEU 23 23.082 8.978 5.029
205 HG LEU 23 HG LEU 23 22.283 7.149 6.513
206 HD11 LEU 23 HD11 LEU 23 21.659 5.518 4.812
207 HD12 LEU 23 HD12 LEU 23 22.763 4.814 5.985
208 HD13 LEU 23 HD13 LEU 23 23.357 5.280 4.389
209 HD21 LEU 23 HD21 LEU 23 25.159 6.767 5.596
210 HD22 LEU 23 HD22 LEU 23 24.482 6.237 7.141
211 HD23 LEU 23 HD23 LEU 23 24.595 7.958 6.775
212 H VAL 24 HN VAL 24 18.989 7.458 4.179
213 HA VAL 24 HA VAL 24 18.225 9.794 5.737
214 HB VAL 24 HB VAL 24 16.502 7.561 4.586
215 HG11 VAL 24 HG11 VAL 24 14.584 9.080 4.991
216 HG12 VAL 24 HG12 VAL 24 15.658 10.234 5.784
217 HG13 VAL 24 HG13 VAL 24 15.380 8.648 6.509
218 HG21 VAL 24 HG21 VAL 24 15.906 9.227 2.862
219 HG22 VAL 24 HG22 VAL 24 17.632 8.861 2.840
220 HG23 VAL 24 HG23 VAL 24 17.056 10.365 3.563
221 H LYS 25 HN LYS 25 18.283 9.767 7.857
222 HA LYS 25 HA LYS 25 18.643 7.388 9.411
223 HB2 LYS 25 HB2 LYS 25 19.817 9.448 10.026
224 HB3 LYS 25 HB1 LYS 25 18.294 10.301 10.231
225 HG2 LYS 25 HG2 LYS 25 19.332 9.673 12.384
226 HG3 LYS 25 HG1 LYS 25 17.731 8.957 12.168
227 HD2 LYS 25 HD2 LYS 25 18.792 6.801 11.530
228 HD3 LYS 25 HD1 LYS 25 20.391 7.516 11.751
229 HE2 LYS 25 HE2 LYS 25 18.279 7.085 13.892
230 HE3 LYS 25 HE1 LYS 25 19.798 6.202 13.715
231 HZ1 LYS 25 HZ1 LYS 25 19.997 7.865 15.426
232 HZ2 LYS 25 HZ2 LYS 25 19.502 9.083 14.369
233 HZ3 LYS 25 HZ3 LYS 25 20.979 8.302 14.124
234 H TRP 26 HN TRP 26 17.030 6.110 9.909
235 HA TRP 26 HA TRP 26 14.249 6.945 9.993
236 HB2 TRP 26 HB2 TRP 26 15.354 4.181 10.647
237 HB3 TRP 26 HB1 TRP 26 13.727 4.597 10.105
238 HD1 TRP 26 HD1 TRP 26 16.989 3.430 8.816
239 HE1 TRP 26 HE1 TRP 26 17.052 3.505 6.252
240 HE3 TRP 26 HE3 TRP 26 12.767 6.176 7.974
241 HZ2 TRP 26 HZ2 TRP 26 15.545 4.600 4.156
242 HZ3 TRP 26 HZ3 TRP 26 12.146 6.693 5.649
243 HH2 TRP 26 HH2 TRP 26 13.508 5.918 3.777
244 H LYS 27 HN LYS 27 13.049 7.184 11.829
245 HA LYS 27 HA LYS 27 14.562 7.678 14.266
246 HB2 LYS 27 HB2 LYS 27 12.811 9.249 13.266
247 HB3 LYS 27 HB1 LYS 27 11.580 8.105 13.800
248 HG2 LYS 27 HG2 LYS 27 12.126 8.476 16.112
249 HG3 LYS 27 HG1 LYS 27 13.586 9.378 15.683
250 HD2 LYS 27 HD2 LYS 27 12.113 11.124 14.615
251 HD3 LYS 27 HD1 LYS 27 10.706 10.249 15.233
252 HE2 LYS 27 HE2 LYS 27 11.329 12.158 16.680
253 HE3 LYS 27 HE1 LYS 27 11.464 10.625 17.538
254 HZ1 LYS 27 HZ1 LYS 27 13.342 12.096 17.956
255 HZ2 LYS 27 HZ2 LYS 27 13.728 12.105 16.313
256 HZ3 LYS 27 HZ3 LYS 27 13.845 10.673 17.201
257 H GLY 28 HN GLY 28 14.907 6.065 15.647
258 HA2 GLY 28 HA2 GLY 28 14.019 4.500 17.294
259 HA3 GLY 28 HA1 GLY 28 12.847 3.951 16.100
260 H TRP 29 HN TRP 29 15.256 4.278 14.133
261 HA TRP 29 HA TRP 29 16.385 1.569 14.534
262 HB2 TRP 29 HB2 TRP 29 16.076 3.203 11.963
263 HB3 TRP 29 HB1 TRP 29 16.784 1.594 12.069
264 HD1 TRP 29 HD1 TRP 29 13.337 3.117 13.168
265 HE1 TRP 29 HE1 TRP 29 11.491 1.491 12.448
266 HE3 TRP 29 HE3 TRP 29 16.217 -0.478 10.940
267 HZ2 TRP 29 HZ2 TRP 29 11.261 -0.973 11.104
268 HZ3 TRP 29 HZ3 TRP 29 15.102 -2.429 9.943
269 HH2 TRP 29 HH2 TRP 29 12.669 -2.675 10.020
270 HA PRO 30 HA PRO 30 20.281 3.678 15.386
271 HB2 PRO 30 HB2 PRO 30 22.001 1.527 14.890
272 HB3 PRO 30 HB1 PRO 30 21.126 1.798 16.404
273 HG2 PRO 30 HG2 PRO 30 20.412 0.015 14.103
274 HG3 PRO 30 HG1 PRO 30 20.307 -0.318 15.842
275 HD2 PRO 30 HD2 PRO 30 18.112 0.332 14.415
276 HD3 PRO 30 HD1 PRO 30 18.321 0.914 16.083
277 HA PRO 31 HA PRO 31 21.832 5.403 11.564
278 HB2 PRO 31 HB2 PRO 31 24.593 4.976 12.725
279 HB3 PRO 31 HB1 PRO 31 23.886 6.430 11.997
280 HG2 PRO 31 HG2 PRO 31 24.061 6.248 14.635
281 HG3 PRO 31 HG1 PRO 31 22.586 6.910 13.897
282 HD2 PRO 31 HD2 PRO 31 23.050 4.186 15.101
283 HD3 PRO 31 HD1 PRO 31 21.615 5.232 15.188
284 H LYS 32 HN LYS 32 23.074 2.235 12.461
285 HA LYS 32 HA LYS 32 24.328 1.711 9.892
286 HB2 LYS 32 HB2 LYS 32 24.552 -0.635 10.718
287 HB3 LYS 32 HB1 LYS 32 25.220 0.561 11.824
288 HG2 LYS 32 HG2 LYS 32 23.145 0.392 13.205
289 HG3 LYS 32 HG1 LYS 32 22.567 -0.883 12.124
290 HD2 LYS 32 HD2 LYS 32 24.477 -2.303 12.743
291 HD3 LYS 32 HD1 LYS 32 25.129 -1.021 13.769
292 HE2 LYS 32 HE2 LYS 32 23.152 -1.172 15.232
293 HE3 LYS 32 HE1 LYS 32 22.457 -2.414 14.187
294 HZ1 LYS 32 HZ1 LYS 32 24.977 -2.651 15.732
295 HZ2 LYS 32 HZ2 LYS 32 24.342 -3.838 14.713
296 HZ3 LYS 32 HZ3 LYS 32 23.503 -3.383 16.109
297 H TYR 33 HN TYR 33 21.190 1.010 11.393
298 HA TYR 33 HA TYR 33 20.106 -0.426 9.118
299 HB2 TYR 33 HB2 TYR 33 18.918 0.641 11.701
300 HB3 TYR 33 HB1 TYR 33 17.868 0.064 10.417
301 HD1 TYR 33 HD1 TYR 33 20.610 -1.015 12.715
302 HD2 TYR 33 HD2 TYR 33 17.461 -2.280 10.126
303 HE1 TYR 33 HE1 TYR 33 20.833 -3.311 13.563
304 HE2 TYR 33 HE2 TYR 33 17.691 -4.572 10.963
305 HH TYR 33 HH TYR 33 19.367 -5.983 12.055
306 H SER 34 HN SER 34 20.611 2.908 9.863
307 HA SER 34 HA SER 34 18.746 4.155 8.149
308 HB2 SER 34 HB2 SER 34 20.204 5.445 9.681
309 HB3 SER 34 HB1 SER 34 21.626 4.932 8.782
310 HG SER 34 HG SER 34 19.696 6.139 7.236
311 H THR 35 HN THR 35 18.679 4.345 5.883
312 HA THR 35 HA THR 35 20.716 2.826 4.345
313 HB THR 35 HB THR 35 18.681 1.966 2.941
314 HG1 THR 35 HG1 THR 35 17.111 3.308 3.978
315 HG21 THR 35 HG21 THR 35 20.032 0.455 4.374
316 HG22 THR 35 HG22 THR 35 18.321 0.017 4.417
317 HG23 THR 35 HG23 THR 35 19.042 0.898 5.765
318 H TRP 36 HN TRP 36 20.429 3.166 1.930
319 HA TRP 36 HA TRP 36 20.466 6.065 1.468
320 HB2 TRP 36 HB2 TRP 36 21.809 3.783 -0.067
321 HB3 TRP 36 HB1 TRP 36 21.894 5.481 -0.523
322 HD1 TRP 36 HD1 TRP 36 23.362 2.978 1.997
323 HE1 TRP 36 HE1 TRP 36 25.379 4.082 3.156
324 HE3 TRP 36 HE3 TRP 36 22.825 7.751 0.220
325 HZ2 TRP 36 HZ2 TRP 36 26.585 6.633 3.305
326 HZ3 TRP 36 HZ3 TRP 36 24.447 9.464 0.923
327 HH2 TRP 36 HH2 TRP 36 26.290 8.916 2.436
328 H GLU 37 HN GLU 37 18.644 6.749 0.530
329 HA GLU 37 HA GLU 37 17.718 5.393 -1.941
330 HB2 GLU 37 HB2 GLU 37 16.048 7.116 -0.085
331 HB3 GLU 37 HB1 GLU 37 15.482 6.346 -1.554
332 HG2 GLU 37 HG2 GLU 37 14.582 5.025 0.131
333 HG3 GLU 37 HG1 GLU 37 16.027 4.120 -0.334
334 HA PRO 38 HA PRO 38 19.009 9.111 -3.954
335 HB2 PRO 38 HB2 PRO 38 17.442 9.260 -6.153
336 HB3 PRO 38 HB1 PRO 38 18.573 7.916 -5.914
337 HG2 PRO 38 HG2 PRO 38 15.610 8.010 -5.324
338 HG3 PRO 38 HG1 PRO 38 16.520 6.781 -6.229
339 HD2 PRO 38 HD2 PRO 38 15.877 6.430 -3.617
340 HD3 PRO 38 HD1 PRO 38 17.400 5.814 -4.298
341 H GLU 39 HN GLU 39 18.233 11.103 -5.075
342 HA GLU 39 HA GLU 39 16.923 12.992 -3.574
343 HB2 GLU 39 HB2 GLU 39 16.854 14.279 -5.746
344 HB3 GLU 39 HB1 GLU 39 18.409 13.520 -5.406
345 HG2 GLU 39 HG2 GLU 39 17.671 11.586 -6.910
346 HG3 GLU 39 HG1 GLU 39 16.303 12.585 -7.384
347 H GLU 40 HN GLU 40 15.539 10.662 -5.769
348 HA GLU 40 HA GLU 40 13.121 11.862 -6.502
349 HB2 GLU 40 HB2 GLU 40 14.092 9.941 -7.675
350 HB3 GLU 40 HB1 GLU 40 13.886 8.924 -6.252
351 HG2 GLU 40 HG2 GLU 40 11.418 9.155 -6.487
352 HG3 GLU 40 HG1 GLU 40 11.667 10.110 -7.946
353 H HIS 41 HN HIS 41 13.874 9.703 -3.759
354 HA HIS 41 HA HIS 41 11.113 9.274 -3.051
355 HB2 HIS 41 HB2 HIS 41 11.884 7.628 -1.642
356 HB3 HIS 41 HB1 HIS 41 13.291 7.755 -2.676
357 HD1 HIS 41 HD1 HIS 41 14.897 9.960 -1.506
358 HD2 HIS 41 HD2 HIS 41 12.773 7.319 0.884
359 HE1 HIS 41 HE1 HIS 41 16.011 10.043 0.729
360 HE2 HIS 41 HE2 HIS 41 14.902 8.200 2.032
361 H ILE 42 HN ILE 42 13.326 11.738 -2.334
362 HA ILE 42 HA ILE 42 12.449 12.626 0.226
363 HB ILE 42 HB ILE 42 13.694 14.215 -2.080
364 HG12 ILE 42 HG12 ILE 42 15.138 12.329 -1.243
365 HG13 ILE 42 HG11 ILE 42 15.861 13.914 -1.011
366 HG21 ILE 42 HG21 ILE 42 14.339 15.899 -0.373
367 HG22 ILE 42 HG22 ILE 42 13.437 15.002 0.849
368 HG23 ILE 42 HG23 ILE 42 12.588 15.738 -0.511
369 HD11 ILE 42 HD11 ILE 42 16.251 12.447 0.888
370 HD12 ILE 42 HD12 ILE 42 14.514 12.270 1.136
371 HD13 ILE 42 HD13 ILE 42 15.285 13.844 1.358
372 H LEU 43 HN LEU 43 10.254 12.949 0.474
373 HA LEU 43 HA LEU 43 8.669 14.276 -1.614
374 HB2 LEU 43 HB2 LEU 43 7.682 13.421 1.138
375 HB3 LEU 43 HB1 LEU 43 6.730 13.716 -0.312
376 HG LEU 43 HG LEU 43 8.535 11.327 0.250
377 HD11 LEU 43 HD11 LEU 43 6.385 11.247 1.394
378 HD12 LEU 43 HD12 LEU 43 6.467 10.024 0.138
379 HD13 LEU 43 HD13 LEU 43 5.528 11.492 -0.129
380 HD21 LEU 43 HD21 LEU 43 7.846 10.412 -1.920
381 HD22 LEU 43 HD22 LEU 43 8.764 11.901 -2.109
382 HD23 LEU 43 HD23 LEU 43 7.008 11.918 -2.306
383 H ASP 44 HN ASP 44 9.533 14.664 1.806
384 HA ASP 44 HA ASP 44 8.424 17.310 2.061
385 HB2 ASP 44 HB2 ASP 44 8.330 15.767 3.953
386 HB3 ASP 44 HB1 ASP 44 10.084 15.583 3.942
387 HA PRO 45 HA PRO 45 12.257 19.398 0.668
388 HB2 PRO 45 HB2 PRO 45 11.470 21.970 1.194
389 HB3 PRO 45 HB1 PRO 45 10.900 21.066 -0.215
390 HG2 PRO 45 HG2 PRO 45 9.528 21.481 2.444
391 HG3 PRO 45 HG1 PRO 45 8.853 21.631 0.808
392 HD2 PRO 45 HD2 PRO 45 8.459 19.412 2.298
393 HD3 PRO 45 HD1 PRO 45 8.662 19.315 0.533
394 H ARG 46 HN ARG 46 10.693 20.046 3.785
395 HA ARG 46 HA ARG 46 12.813 21.439 5.054
396 HB2 ARG 46 HB2 ARG 46 10.438 19.880 6.157
397 HB3 ARG 46 HB1 ARG 46 11.559 20.755 7.196
398 HG2 ARG 46 HG2 ARG 46 9.843 22.006 5.024
399 HG3 ARG 46 HG1 ARG 46 9.505 22.040 6.758
400 HD2 ARG 46 HD2 ARG 46 11.743 23.203 7.066
401 HD3 ARG 46 HD1 ARG 46 11.828 23.350 5.308
402 HE ARG 46 HE ARG 46 9.532 24.545 5.667
403 HH11 ARG 46 HH11 ARG 46 12.368 24.848 7.722
404 HH12 ARG 46 HH12 ARG 46 11.959 26.445 8.260
405 HH21 ARG 46 HH21 ARG 46 8.994 26.639 6.394
406 HH22 ARG 46 HH22 ARG 46 10.031 27.459 7.516
407 H LEU 47 HN LEU 47 12.285 18.064 4.468
408 HA LEU 47 HA LEU 47 13.860 16.839 6.410
409 HB2 LEU 47 HB2 LEU 47 12.384 15.599 4.945
410 HB3 LEU 47 HB1 LEU 47 13.286 16.092 3.524
411 HG LEU 47 HG LEU 47 15.145 14.657 4.106
412 HD11 LEU 47 HD11 LEU 47 15.168 13.221 6.102
413 HD12 LEU 47 HD12 LEU 47 13.711 14.021 6.698
414 HD13 LEU 47 HD13 LEU 47 15.212 14.934 6.517
415 HD21 LEU 47 HD21 LEU 47 13.278 13.586 2.920
416 HD22 LEU 47 HD22 LEU 47 12.536 13.142 4.461
417 HD23 LEU 47 HD23 LEU 47 14.087 12.440 3.993
418 H VAL 48 HN VAL 48 14.851 18.012 3.175
419 HA VAL 48 HA VAL 48 17.662 17.464 3.656
420 HB VAL 48 HB VAL 48 16.400 19.008 1.348
421 HG11 VAL 48 HG11 VAL 48 18.823 19.480 1.583
422 HG12 VAL 48 HG12 VAL 48 18.516 18.517 0.134
423 HG13 VAL 48 HG13 VAL 48 19.167 17.746 1.581
424 HG21 VAL 48 HG21 VAL 48 15.495 16.716 1.456
425 HG22 VAL 48 HG22 VAL 48 17.134 16.059 1.513
426 HG23 VAL 48 HG23 VAL 48 16.569 16.890 0.062
427 H MET 49 HN MET 49 15.536 20.286 3.510
428 HA MET 49 HA MET 49 17.440 22.349 3.560
429 HB2 MET 49 HB2 MET 49 14.502 22.252 4.357
430 HB3 MET 49 HB1 MET 49 15.437 23.750 4.427
431 HG2 MET 49 HG2 MET 49 15.822 23.660 2.029
432 HG3 MET 49 HG1 MET 49 15.009 22.090 1.930
433 HE1 MET 49 HE1 MET 49 14.190 24.642 0.100
434 HE2 MET 49 HE2 MET 49 12.432 24.519 0.174
435 HE3 MET 49 HE3 MET 49 13.414 23.065 -0.016
436 H ALA 50 HN ALA 50 15.699 20.823 6.287
437 HA ALA 50 HA ALA 50 16.930 22.408 8.346
438 HB1 ALA 50 HB1 ALA 50 14.746 21.318 8.702
439 HB2 ALA 50 HB2 ALA 50 15.908 20.831 9.936
440 HB3 ALA 50 HB3 ALA 50 15.505 19.730 8.612
441 H TYR 51 HN TYR 51 17.795 19.411 6.715
442 HA TYR 51 HA TYR 51 19.936 18.659 8.454
443 HB2 TYR 51 HB2 TYR 51 19.148 16.952 7.005
444 HB3 TYR 51 HB1 TYR 51 19.216 17.991 5.588
445 HD1 TYR 51 HD1 TYR 51 21.444 16.248 8.086
446 HD2 TYR 51 HD2 TYR 51 21.114 17.936 4.176
447 HE1 TYR 51 HE1 TYR 51 23.676 15.386 7.518
448 HE2 TYR 51 HE2 TYR 51 23.332 17.088 3.616
449 HH TYR 51 HH TYR 51 24.992 14.803 5.570
450 H GLU 52 HN GLU 52 19.705 20.866 5.672
451 HA GLU 52 HA GLU 52 22.450 21.123 5.113
452 HB2 GLU 52 HB2 GLU 52 20.267 23.217 4.681
453 HB3 GLU 52 HB1 GLU 52 21.880 23.243 3.978
454 HG2 GLU 52 HG2 GLU 52 19.799 21.125 3.426
455 HG3 GLU 52 HG1 GLU 52 20.137 22.503 2.387
456 H GLU 53 HN GLU 53 20.370 23.421 6.926
457 HA GLU 53 HA GLU 53 20.724 24.972 8.522
458 HB2 GLU 53 HB2 GLU 53 22.959 23.085 9.339
459 HB3 GLU 53 HB1 GLU 53 22.478 24.477 10.303
460 HG2 GLU 53 HG2 GLU 53 20.731 22.103 9.594
461 HG3 GLU 53 HG1 GLU 53 21.494 22.400 11.154
462 H LYS 54 HN LYS 54 22.544 24.994 5.940
463 HA LYS 54 HA LYS 54 24.898 26.454 6.726
464 HB2 LYS 54 HB2 LYS 54 25.264 26.696 4.248
465 HB3 LYS 54 HB1 LYS 54 25.070 25.034 4.784
466 HG2 LYS 54 HG2 LYS 54 22.791 24.961 3.945
467 HG3 LYS 54 HG1 LYS 54 22.853 26.679 3.533
468 HD2 LYS 54 HD2 LYS 54 24.529 26.255 1.816
469 HD3 LYS 54 HD1 LYS 54 24.638 24.557 2.287
470 HE2 LYS 54 HE2 LYS 54 23.283 24.884 0.237
471 HE3 LYS 54 HE1 LYS 54 22.344 24.161 1.544
472 HZ1 LYS 54 HZ1 LYS 54 22.301 27.026 0.750
473 HZ2 LYS 54 HZ2 LYS 54 21.402 26.342 2.004
474 HZ3 LYS 54 HZ3 LYS 54 21.105 25.882 0.409
475 H GLU 55 HN GLU 55 25.376 28.598 6.350
476 HA GLU 55 HA GLU 55 23.251 30.516 6.440
477 HB2 GLU 55 HB2 GLU 55 26.261 30.926 6.151
478 HB3 GLU 55 HB1 GLU 55 25.094 32.221 6.387
479 HG2 GLU 55 HG2 GLU 55 25.979 31.887 8.520
480 HG3 GLU 55 HG1 GLU 55 24.449 31.025 8.575
481 H GLU 56 HN GLU 56 22.078 30.297 4.589
482 HA GLU 56 HA GLU 56 23.086 30.207 1.935
483 HB2 GLU 56 HB2 GLU 56 20.884 29.277 2.629
484 HB3 GLU 56 HB1 GLU 56 20.290 30.899 2.927
485 HG2 GLU 56 HG2 GLU 56 19.394 30.173 0.830
486 HG3 GLU 56 HG1 GLU 56 20.608 31.404 0.483
487 H1 ALA 1 HT1 ALA 1 5.258 12.800 17.158
488 H2 ALA 1 HT2 ALA 1 5.330 11.236 16.525
489 H3 ALA 1 HT3 ALA 1 4.246 12.360 15.885
490 HA ALA 1 HA ALA 1 7.186 12.581 15.805
491 HB1 ALA 1 HB1 ALA 1 6.376 10.765 14.342
492 HB2 ALA 1 HB2 ALA 1 7.005 12.117 13.393
493 HB3 ALA 1 HB3 ALA 1 5.261 11.889 13.556
494 H ARG 2 HN ARG 2 7.416 14.717 16.287
495 HA ARG 2 HA ARG 2 5.704 16.828 15.329
496 HB2 ARG 2 HB2 ARG 2 8.512 16.945 16.532
497 HB3 ARG 2 HB1 ARG 2 7.491 18.350 16.235
498 HG2 ARG 2 HG2 ARG 2 6.890 16.093 18.185
499 HG3 ARG 2 HG1 ARG 2 7.478 17.704 18.607
500 HD2 ARG 2 HD2 ARG 2 5.392 18.684 17.680
501 HD3 ARG 2 HD1 ARG 2 4.806 17.055 17.313
502 HE ARG 2 HE ARG 2 5.513 17.625 20.102
503 HH11 ARG 2 HH11 ARG 2 2.932 17.250 17.747
504 HH12 ARG 2 HH12 ARG 2 1.690 17.116 18.953
505 HH21 ARG 2 HH21 ARG 2 3.883 17.459 21.672
506 HH22 ARG 2 HH22 ARG 2 2.233 17.228 21.191
507 H THR 3 HN THR 3 8.945 15.622 14.485
508 HA THR 3 HA THR 3 9.174 17.294 12.120
509 HB THR 3 HB THR 3 11.361 16.078 11.803
510 HG1 THR 3 HG1 THR 3 11.064 14.123 12.757
511 HG21 THR 3 HG21 THR 3 11.317 18.176 13.115
512 HG22 THR 3 HG22 THR 3 12.521 17.052 13.756
513 HG23 THR 3 HG23 THR 3 10.973 17.252 14.581
514 H LYS 4 HN LYS 4 7.220 16.500 11.106
515 HA LYS 4 HA LYS 4 7.031 13.749 10.198
516 HB2 LYS 4 HB2 LYS 4 5.015 15.120 10.831
517 HB3 LYS 4 HB1 LYS 4 5.335 16.167 9.452
518 HG2 LYS 4 HG2 LYS 4 5.000 14.198 7.932
519 HG3 LYS 4 HG1 LYS 4 4.584 13.225 9.345
520 HD2 LYS 4 HD2 LYS 4 2.537 13.953 8.249
521 HD3 LYS 4 HD1 LYS 4 2.670 14.765 9.811
522 HE2 LYS 4 HE2 LYS 4 3.500 16.804 8.669
523 HE3 LYS 4 HE1 LYS 4 3.362 15.992 7.109
524 HZ1 LYS 4 HZ1 LYS 4 1.138 16.635 8.966
525 HZ2 LYS 4 HZ2 LYS 4 0.973 15.772 7.524
526 HZ3 LYS 4 HZ3 LYS 4 1.470 17.385 7.491
527 H GLN 5 HN GLN 5 9.048 13.676 9.100
528 HA GLN 5 HA GLN 5 9.321 15.179 6.565
529 HB2 GLN 5 HB2 GLN 5 11.394 13.639 8.183
530 HB3 GLN 5 HB1 GLN 5 11.714 14.569 6.716
531 HG2 GLN 5 HG2 GLN 5 11.231 16.640 7.818
532 HG3 GLN 5 HG1 GLN 5 10.578 15.818 9.237
533 HE21 GLN 5 HE21 GLN 5 12.049 14.721 10.620
534 HE22 GLN 5 HE22 GLN 5 13.706 15.193 10.691
535 H THR 6 HN THR 6 8.154 13.993 5.149
536 HA THR 6 HA THR 6 8.017 11.121 5.241
537 HB THR 6 HB THR 6 6.540 11.516 3.145
538 HG1 THR 6 HG1 THR 6 6.537 13.507 2.441
539 HG21 THR 6 HG21 THR 6 5.722 12.753 5.799
540 HG22 THR 6 HG22 THR 6 5.597 11.041 5.379
541 HG23 THR 6 HG23 THR 6 4.621 12.234 4.518
542 H ALA 7 HN ALA 7 9.380 9.826 4.377
543 HA ALA 7 HA ALA 7 10.587 10.279 1.731
544 HB1 ALA 7 HB1 ALA 7 12.084 9.306 4.203
545 HB2 ALA 7 HB2 ALA 7 12.300 10.869 3.414
546 HB3 ALA 7 HB3 ALA 7 12.745 9.388 2.569
547 H ARG 8 HN ARG 8 10.119 8.530 0.443
548 HA ARG 8 HA ARG 8 8.987 6.109 1.706
549 HB2 ARG 8 HB2 ARG 8 9.097 6.549 -1.303
550 HB3 ARG 8 HB1 ARG 8 7.967 5.572 -0.363
551 HG2 ARG 8 HG2 ARG 8 7.090 7.785 0.595
552 HG3 ARG 8 HG1 ARG 8 8.044 8.591 -0.654
553 HD2 ARG 8 HD2 ARG 8 5.637 6.778 -0.978
554 HD3 ARG 8 HD1 ARG 8 5.848 8.436 -1.547
555 HE ARG 8 HE ARG 8 7.014 5.996 -2.729
556 HH11 ARG 8 HH11 ARG 8 6.336 9.425 -3.076
557 HH12 ARG 8 HH12 ARG 8 6.663 9.427 -4.774
558 HH21 ARG 8 HH21 ARG 8 7.371 6.004 -4.934
559 HH22 ARG 8 HH22 ARG 8 7.251 7.483 -5.837
560 H M3L 9 HN M3L 9 10.284 4.343 2.023
561 HA M3L 9 HA M3L 9 12.966 4.140 1.192
562 HB2 M3L 9 HB2 M3L 9 11.117 1.834 1.951
563 HB3 M3L 9 HB1 M3L 9 12.883 1.782 1.918
564 HG2 M3L 9 HG2 M3L 9 12.839 3.629 3.676
565 HG3 M3L 9 HG1 M3L 9 11.101 3.334 3.817
566 HD2 M3L 9 HD2 M3L 9 11.558 0.986 4.457
567 HD3 M3L 9 HD1 M3L 9 13.296 1.273 4.293
568 HE2 M3L 9 HE2 M3L 9 13.071 3.070 6.070
569 HE3 M3L 9 HE1 M3L 9 11.407 2.548 6.305
570 HM11 M3L 9 HH33 M3L 9 14.387 0.305 5.734
571 HM12 M3L 9 HH31 M3L 9 14.685 0.038 7.456
572 HM13 M3L 9 HH32 M3L 9 14.975 1.631 6.743
573 HM21 M3L 9 HH11 M3L 9 10.955 0.195 7.204
574 HM22 M3L 9 HH12 M3L 9 12.313 -0.817 7.704
575 HM23 M3L 9 HH13 M3L 9 12.015 -0.525 5.988
576 HM31 M3L 9 HH21 M3L 9 13.436 2.658 8.488
577 HM32 M3L 9 HH22 M3L 9 13.172 1.053 9.171
578 HM33 M3L 9 HH23 M3L 9 11.792 2.039 8.680
579 H SER 10 HN SER 10 10.011 2.842 -0.156
580 HA SER 10 HA SER 10 10.842 2.770 -2.839
581 HB2 SER 10 HB2 SER 10 12.162 0.771 -2.027
582 HB3 SER 10 HB1 SER 10 10.658 0.017 -1.506
583 HG SER 10 HG SER 10 11.786 -0.004 -3.912
584 H THR 11 HN THR 11 9.066 1.154 -4.010
585 HA THR 11 HA THR 11 6.394 1.642 -3.216
586 HB THR 11 HB THR 11 5.900 -0.366 -4.718
587 HG1 THR 11 HG1 THR 11 7.710 -1.617 -4.474
588 HG21 THR 11 HG21 THR 11 6.048 1.895 -5.716
589 HG22 THR 11 HG22 THR 11 6.669 0.665 -6.820
590 HG23 THR 11 HG23 THR 11 7.789 1.692 -5.921
591 H GLY 12 HN GLY 12 8.742 -0.889 -2.500
592 HA2 GLY 12 HA2 GLY 12 8.111 -1.362 0.110
593 HA3 GLY 12 HA1 GLY 12 7.072 -2.477 -0.779
594 H GLY 13 HN GLY 13 9.844 -2.483 0.857
595 HA2 GLY 13 HA2 GLY 13 11.645 -3.956 -0.772
596 HA3 GLY 13 HA1 GLY 13 11.592 -3.970 0.987
597 H LYS 14 HN LYS 14 8.931 -4.861 1.260
598 HA LYS 14 HA LYS 14 8.825 -7.559 0.056
599 HB2 LYS 14 HB2 LYS 14 8.357 -6.820 2.992
600 HB3 LYS 14 HB1 LYS 14 7.923 -8.379 2.291
601 HG2 LYS 14 HG2 LYS 14 10.286 -8.834 1.781
602 HG3 LYS 14 HG1 LYS 14 10.747 -7.258 2.431
603 HD2 LYS 14 HD2 LYS 14 10.054 -7.929 4.676
604 HD3 LYS 14 HD1 LYS 14 9.400 -9.453 4.061
605 HE2 LYS 14 HE2 LYS 14 12.340 -8.657 3.972
606 HE3 LYS 14 HE1 LYS 14 11.616 -9.748 5.153
607 HZ1 LYS 14 HZ1 LYS 14 12.682 -10.975 3.388
608 HZ2 LYS 14 HZ2 LYS 14 11.743 -10.205 2.219
609 HZ3 LYS 14 HZ3 LYS 14 11.015 -11.243 3.334
610 H ALA 15 HN ALA 15 6.577 -8.480 0.264
611 HA ALA 15 HA ALA 15 4.399 -6.496 0.391
612 HB1 ALA 15 HB1 ALA 15 3.468 -7.266 -1.765
613 HB2 ALA 15 HB2 ALA 15 4.856 -8.336 -1.998
614 HB3 ALA 15 HB3 ALA 15 5.079 -6.583 -1.983
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 9.403 0.497 -4.580
2 H2 GLY 1 HT2 GLY 1 8.339 1.692 -5.115
3 H3 GLY 1 HT3 GLY 1 7.893 0.669 -3.843
4 HA2 GLY 1 HA1 GLY 1 9.605 1.581 -2.443
5 HA3 GLY 1 HA2 GLY 1 10.120 2.618 -3.770
6 H GLU 2 HN GLU 2 7.375 1.858 -1.651
7 HA GLU 2 HA GLU 2 6.513 4.699 -1.702
8 HB2 GLU 2 HB2 GLU 2 4.165 4.025 -1.766
9 HB3 GLU 2 HB1 GLU 2 5.002 3.291 -3.130
10 HG2 GLU 2 HG2 GLU 2 5.151 1.158 -1.840
11 HG3 GLU 2 HG1 GLU 2 4.215 1.905 -0.550
12 H GLN 3 HN GLN 3 7.837 2.412 0.173
13 HA GLN 3 HA GLN 3 5.978 2.220 2.380
14 HB2 GLN 3 HB2 GLN 3 8.831 1.195 2.040
15 HB3 GLN 3 HB1 GLN 3 7.828 0.858 3.445
16 HG2 GLN 3 HG2 GLN 3 7.750 -1.071 2.042
17 HG3 GLN 3 HG1 GLN 3 6.183 -0.279 1.911
18 HE21 GLN 3 HE21 GLN 3 5.707 -1.247 -0.074
19 HE22 GLN 3 HE22 GLN 3 6.539 -0.864 -1.534
20 H VAL 4 HN VAL 4 5.767 4.442 2.974
21 HA VAL 4 HA VAL 4 8.052 5.987 3.803
22 HB VAL 4 HB VAL 4 6.437 7.733 4.467
23 HG11 VAL 4 HG11 VAL 4 7.185 7.652 2.132
24 HG12 VAL 4 HG12 VAL 4 5.523 8.236 2.230
25 HG13 VAL 4 HG13 VAL 4 5.844 6.576 1.718
26 HG21 VAL 4 HG21 VAL 4 4.002 7.477 4.065
27 HG22 VAL 4 HG22 VAL 4 4.576 6.376 5.315
28 HG23 VAL 4 HG23 VAL 4 4.247 5.766 3.692
29 H PHE 5 HN PHE 5 8.993 6.013 5.738
30 HA PHE 5 HA PHE 5 7.491 5.198 8.175
31 HB2 PHE 5 HB2 PHE 5 10.420 4.683 7.468
32 HB3 PHE 5 HB1 PHE 5 9.806 4.548 9.110
33 HD1 PHE 5 HD1 PHE 5 9.180 3.195 5.652
34 HD2 PHE 5 HD2 PHE 5 9.029 2.447 9.857
35 HE1 PHE 5 HE1 PHE 5 8.562 0.857 5.218
36 HE2 PHE 5 HE2 PHE 5 8.409 0.108 9.414
37 HZ PHE 5 HZ PHE 5 8.170 -0.690 7.095
38 H ALA 6 HN ALA 6 8.338 6.239 10.165
39 HA ALA 6 HA ALA 6 8.516 9.080 9.857
40 HB1 ALA 6 HB1 ALA 6 8.527 9.135 12.313
41 HB2 ALA 6 HB2 ALA 6 8.771 7.387 12.363
42 HB3 ALA 6 HB3 ALA 6 7.270 8.051 11.713
43 H VAL 7 HN VAL 7 10.343 9.941 9.127
44 HA VAL 7 HA VAL 7 12.986 8.932 9.651
45 HB VAL 7 HB VAL 7 13.812 10.771 8.312
46 HG11 VAL 7 HG11 VAL 7 12.488 10.591 6.218
47 HG12 VAL 7 HG12 VAL 7 11.167 9.843 7.121
48 HG13 VAL 7 HG13 VAL 7 12.723 9.021 6.991
49 HG21 VAL 7 HG21 VAL 7 12.599 12.649 9.300
50 HG22 VAL 7 HG22 VAL 7 11.081 12.088 8.602
51 HG23 VAL 7 HG23 VAL 7 12.373 12.668 7.551
52 H GLU 8 HN GLU 8 14.596 9.918 10.927
53 HA GLU 8 HA GLU 8 13.888 11.813 13.010
54 HB2 GLU 8 HB2 GLU 8 15.645 10.002 13.262
55 HB3 GLU 8 HB1 GLU 8 16.649 10.858 12.102
56 HG2 GLU 8 HG2 GLU 8 16.675 12.819 13.680
57 HG3 GLU 8 HG1 GLU 8 15.792 11.830 14.845
58 H SER 9 HN SER 9 16.350 11.810 10.447
59 HA SER 9 HA SER 9 15.446 14.115 9.013
60 HB2 SER 9 HB2 SER 9 18.034 14.368 10.642
61 HB3 SER 9 HB1 SER 9 17.573 15.473 9.349
62 HG SER 9 HG SER 9 15.526 15.422 10.977
63 H ILE 10 HN ILE 10 17.800 14.640 7.565
64 HA ILE 10 HA ILE 10 18.676 12.087 6.461
65 HB ILE 10 HB ILE 10 19.643 14.920 5.835
66 HG12 ILE 10 HG12 ILE 10 17.260 14.731 5.286
67 HG13 ILE 10 HG11 ILE 10 18.206 14.804 3.807
68 HG21 ILE 10 HG21 ILE 10 20.080 12.342 4.285
69 HG22 ILE 10 HG22 ILE 10 21.303 13.254 5.176
70 HG23 ILE 10 HG23 ILE 10 20.549 13.956 3.743
71 HD11 ILE 10 HD11 ILE 10 16.981 12.326 5.015
72 HD12 ILE 10 HD12 ILE 10 17.939 12.381 3.533
73 HD13 ILE 10 HD13 ILE 10 16.392 13.221 3.616
74 H ARG 11 HN ARG 11 20.610 11.121 6.955
75 HA ARG 11 HA ARG 11 22.202 12.104 9.198
76 HB2 ARG 11 HB2 ARG 11 21.354 9.637 8.847
77 HB3 ARG 11 HB1 ARG 11 22.681 9.478 7.716
78 HG2 ARG 11 HG2 ARG 11 22.977 10.157 10.674
79 HG3 ARG 11 HG1 ARG 11 23.161 8.545 9.986
80 HD2 ARG 11 HD2 ARG 11 25.076 9.404 8.622
81 HD3 ARG 11 HD1 ARG 11 24.905 10.965 9.428
82 HE ARG 11 HE ARG 11 25.333 8.635 11.138
83 HH11 ARG 11 HH11 ARG 11 26.724 11.519 9.682
84 HH12 ARG 11 HH12 ARG 11 28.202 11.406 10.578
85 HH21 ARG 11 HH21 ARG 11 27.301 8.503 12.292
86 HH22 ARG 11 HH22 ARG 11 28.525 9.703 12.047
87 H LYS 12 HN LYS 12 22.760 10.942 5.841
88 HA LYS 12 HA LYS 12 24.986 12.865 5.515
89 HB2 LYS 12 HB2 LYS 12 25.123 9.891 4.837
90 HB3 LYS 12 HB1 LYS 12 26.274 11.081 4.237
91 HG2 LYS 12 HG2 LYS 12 27.064 11.543 6.495
92 HG3 LYS 12 HG1 LYS 12 25.825 10.484 7.178
93 HD2 LYS 12 HD2 LYS 12 26.858 8.533 6.064
94 HD3 LYS 12 HD1 LYS 12 28.069 9.590 5.328
95 HE2 LYS 12 HE2 LYS 12 27.729 9.251 8.326
96 HE3 LYS 12 HE1 LYS 12 28.877 8.335 7.350
97 HZ1 LYS 12 HZ1 LYS 12 29.918 10.239 8.416
98 HZ2 LYS 12 HZ2 LYS 12 28.846 11.291 7.641
99 HZ3 LYS 12 HZ3 LYS 12 29.957 10.400 6.730
100 H LYS 13 HN LYS 13 25.636 13.030 3.170
101 HA LYS 13 HA LYS 13 23.546 12.618 1.190
102 HB2 LYS 13 HB2 LYS 13 22.712 14.661 2.294
103 HB3 LYS 13 HB1 LYS 13 24.294 15.423 2.180
104 HG2 LYS 13 HG2 LYS 13 24.067 15.439 -0.311
105 HG3 LYS 13 HG1 LYS 13 22.451 14.739 -0.147
106 HD2 LYS 13 HD2 LYS 13 21.714 16.761 1.108
107 HD3 LYS 13 HD1 LYS 13 23.333 17.453 0.948
108 HE2 LYS 13 HE2 LYS 13 23.078 17.500 -1.508
109 HE3 LYS 13 HE1 LYS 13 21.481 16.765 -1.369
110 HZ1 LYS 13 HZ1 LYS 13 22.291 19.436 -0.364
111 HZ2 LYS 13 HZ2 LYS 13 20.779 18.735 -0.106
112 HZ3 LYS 13 HZ3 LYS 13 21.279 19.110 -1.679
113 H ARG 14 HN ARG 14 24.363 12.822 -0.905
114 HA ARG 14 HA ARG 14 26.991 13.821 -1.540
115 HB2 ARG 14 HB2 ARG 14 28.022 11.633 -2.110
116 HB3 ARG 14 HB1 ARG 14 27.654 11.735 -0.389
117 HG2 ARG 14 HG2 ARG 14 25.591 10.388 -0.763
118 HG3 ARG 14 HG1 ARG 14 26.016 10.236 -2.473
119 HD2 ARG 14 HD2 ARG 14 27.661 9.227 -0.126
120 HD3 ARG 14 HD1 ARG 14 26.656 8.232 -1.192
121 HE ARG 14 HE ARG 14 29.038 9.748 -2.108
122 HH11 ARG 14 HH11 ARG 14 27.034 6.843 -2.309
123 HH12 ARG 14 HH12 ARG 14 28.106 6.061 -3.425
124 HH21 ARG 14 HH21 ARG 14 30.366 8.728 -3.594
125 HH22 ARG 14 HH22 ARG 14 29.997 7.130 -4.143
126 H VAL 15 HN VAL 15 27.535 13.344 -3.855
127 HA VAL 15 HA VAL 15 25.190 12.624 -5.526
128 HB VAL 15 HB VAL 15 27.575 14.316 -6.430
129 HG11 VAL 15 HG11 VAL 15 24.855 13.845 -7.725
130 HG12 VAL 15 HG12 VAL 15 26.392 13.166 -8.270
131 HG13 VAL 15 HG13 VAL 15 26.115 14.908 -8.353
132 HG21 VAL 15 HG21 VAL 15 26.405 15.588 -4.684
133 HG22 VAL 15 HG22 VAL 15 24.856 15.319 -5.485
134 HG23 VAL 15 HG23 VAL 15 26.089 16.311 -6.265
135 H ARG 16 HN ARG 16 25.427 10.845 -6.714
136 HA ARG 16 HA ARG 16 28.058 9.489 -6.925
137 HB2 ARG 16 HB2 ARG 16 26.627 8.488 -5.150
138 HB3 ARG 16 HB1 ARG 16 25.315 8.279 -6.304
139 HG2 ARG 16 HG2 ARG 16 26.849 6.701 -7.596
140 HG3 ARG 16 HG1 ARG 16 27.974 6.799 -6.235
141 HD2 ARG 16 HD2 ARG 16 26.126 5.997 -4.738
142 HD3 ARG 16 HD1 ARG 16 25.113 5.774 -6.166
143 HE ARG 16 HE ARG 16 27.396 4.302 -6.646
144 HH11 ARG 16 HH11 ARG 16 24.914 4.301 -4.132
145 HH12 ARG 16 HH12 ARG 16 25.101 2.609 -3.792
146 HH21 ARG 16 HH21 ARG 16 27.614 2.081 -6.169
147 HH22 ARG 16 HH22 ARG 16 26.624 1.358 -4.949
148 H LYS 17 HN LYS 17 28.396 10.073 -9.055
149 HA LYS 17 HA LYS 17 28.296 10.094 -11.314
150 HB2 LYS 17 HB2 LYS 17 26.584 7.590 -10.957
151 HB3 LYS 17 HB1 LYS 17 27.399 8.078 -12.444
152 HG2 LYS 17 HG2 LYS 17 29.600 7.844 -11.271
153 HG3 LYS 17 HG1 LYS 17 28.737 7.269 -9.839
154 HD2 LYS 17 HD2 LYS 17 27.879 5.334 -11.133
155 HD3 LYS 17 HD1 LYS 17 28.728 5.919 -12.569
156 HE2 LYS 17 HE2 LYS 17 30.897 5.639 -11.380
157 HE3 LYS 17 HE1 LYS 17 30.032 5.012 -9.970
158 HZ1 LYS 17 HZ1 LYS 17 30.904 3.233 -11.339
159 HZ2 LYS 17 HZ2 LYS 17 30.053 3.801 -12.682
160 HZ3 LYS 17 HZ3 LYS 17 29.213 3.189 -11.346
161 H GLY 18 HN GLY 18 26.541 11.803 -10.060
162 HA2 GLY 18 HA2 GLY 18 25.021 13.375 -10.925
163 HA3 GLY 18 HA1 GLY 18 24.428 12.186 -12.073
164 H LYS 19 HN LYS 19 24.317 10.300 -9.550
165 HA LYS 19 HA LYS 19 21.512 10.913 -8.942
166 HB2 LYS 19 HB2 LYS 19 23.177 8.463 -8.177
167 HB3 LYS 19 HB1 LYS 19 21.428 8.630 -8.033
168 HG2 LYS 19 HG2 LYS 19 22.934 8.721 -10.653
169 HG3 LYS 19 HG1 LYS 19 22.213 7.250 -9.993
170 HD2 LYS 19 HD2 LYS 19 20.699 9.786 -10.766
171 HD3 LYS 19 HD1 LYS 19 20.798 8.322 -11.745
172 HE2 LYS 19 HE2 LYS 19 19.624 7.057 -9.969
173 HE3 LYS 19 HE1 LYS 19 19.536 8.519 -8.982
174 HZ1 LYS 19 HZ1 LYS 19 18.261 8.106 -11.630
175 HZ2 LYS 19 HZ2 LYS 19 18.205 9.541 -10.740
176 HZ3 LYS 19 HZ3 LYS 19 17.482 8.138 -10.132
177 H VAL 20 HN VAL 20 21.222 12.268 -7.266
178 HA VAL 20 HA VAL 20 23.208 12.585 -5.170
179 HB VAL 20 HB VAL 20 20.489 13.963 -5.379
180 HG11 VAL 20 HG11 VAL 20 21.488 15.678 -3.877
181 HG12 VAL 20 HG12 VAL 20 22.958 14.710 -3.751
182 HG13 VAL 20 HG13 VAL 20 21.436 14.090 -3.106
183 HG21 VAL 20 HG21 VAL 20 23.186 14.942 -6.400
184 HG22 VAL 20 HG22 VAL 20 21.699 15.892 -6.368
185 HG23 VAL 20 HG23 VAL 20 21.807 14.461 -7.394
186 H GLU 21 HN GLU 21 23.264 11.156 -3.541
187 HA GLU 21 HA GLU 21 20.844 9.709 -2.705
188 HB2 GLU 21 HB2 GLU 21 23.765 9.192 -1.997
189 HB3 GLU 21 HB1 GLU 21 22.400 8.203 -1.484
190 HG2 GLU 21 HG2 GLU 21 21.967 7.622 -3.851
191 HG3 GLU 21 HG1 GLU 21 23.391 8.555 -4.331
192 H TYR 22 HN TYR 22 20.376 9.414 -0.538
193 HA TYR 22 HA TYR 22 21.503 11.271 1.454
194 HB2 TYR 22 HB2 TYR 22 18.521 10.736 0.965
195 HB3 TYR 22 HB1 TYR 22 19.178 11.668 2.306
196 HD1 TYR 22 HD1 TYR 22 18.758 11.636 -1.394
197 HD2 TYR 22 HD2 TYR 22 19.753 13.994 2.022
198 HE1 TYR 22 HE1 TYR 22 18.718 13.650 -2.774
199 HE2 TYR 22 HE2 TYR 22 19.686 16.015 0.641
200 HH TYR 22 HH TYR 22 18.339 16.093 -2.446
201 H LEU 23 HN LEU 23 22.509 9.733 2.751
202 HA LEU 23 HA LEU 23 21.345 7.272 3.612
203 HB2 LEU 23 HB2 LEU 23 23.779 7.876 3.929
204 HB3 LEU 23 HB1 LEU 23 23.300 9.075 5.116
205 HG LEU 23 HG LEU 23 22.356 7.205 6.533
206 HD11 LEU 23 HD11 LEU 23 23.747 5.386 4.556
207 HD12 LEU 23 HD12 LEU 23 22.002 5.540 4.780
208 HD13 LEU 23 HD13 LEU 23 23.001 4.902 6.083
209 HD21 LEU 23 HD21 LEU 23 25.322 6.997 5.916
210 HD22 LEU 23 HD22 LEU 23 24.523 6.410 7.380
211 HD23 LEU 23 HD23 LEU 23 24.568 8.138 7.035
212 H VAL 24 HN VAL 24 19.154 7.729 4.068
213 HA VAL 24 HA VAL 24 18.362 9.966 5.663
214 HB VAL 24 HB VAL 24 16.710 7.558 4.780
215 HG11 VAL 24 HG11 VAL 24 15.621 8.691 6.682
216 HG12 VAL 24 HG12 VAL 24 14.715 8.996 5.200
217 HG13 VAL 24 HG13 VAL 24 15.764 10.251 5.864
218 HG21 VAL 24 HG21 VAL 24 16.970 10.307 3.506
219 HG22 VAL 24 HG22 VAL 24 15.885 9.023 2.971
220 HG23 VAL 24 HG23 VAL 24 17.632 8.801 2.865
221 H LYS 25 HN LYS 25 18.531 10.050 7.824
222 HA LYS 25 HA LYS 25 18.786 7.676 9.463
223 HB2 LYS 25 HB2 LYS 25 20.055 9.744 10.008
224 HB3 LYS 25 HB1 LYS 25 18.547 10.612 10.271
225 HG2 LYS 25 HG2 LYS 25 19.556 9.981 12.401
226 HG3 LYS 25 HG1 LYS 25 18.021 9.136 12.176
227 HD2 LYS 25 HD2 LYS 25 19.301 7.105 11.439
228 HD3 LYS 25 HD1 LYS 25 20.809 7.964 11.774
229 HE2 LYS 25 HE2 LYS 25 18.658 7.229 13.795
230 HE3 LYS 25 HE1 LYS 25 20.246 6.475 13.637
231 HZ1 LYS 25 HZ1 LYS 25 21.214 8.691 14.157
232 HZ2 LYS 25 HZ2 LYS 25 20.325 8.012 15.425
233 HZ3 LYS 25 HZ3 LYS 25 19.655 9.256 14.498
234 H TRP 26 HN TRP 26 17.115 6.612 10.330
235 HA TRP 26 HA TRP 26 14.410 7.806 10.358
236 HB2 TRP 26 HB2 TRP 26 15.173 4.856 10.624
237 HB3 TRP 26 HB1 TRP 26 13.572 5.523 10.311
238 HD1 TRP 26 HD1 TRP 26 16.893 4.728 8.576
239 HE1 TRP 26 HE1 TRP 26 16.573 4.804 6.031
240 HE3 TRP 26 HE3 TRP 26 12.113 6.555 8.393
241 HZ2 TRP 26 HZ2 TRP 26 14.602 5.539 4.187
242 HZ3 TRP 26 HZ3 TRP 26 11.080 6.905 6.181
243 HH2 TRP 26 HH2 TRP 26 12.300 6.405 4.118
244 H LYS 27 HN LYS 27 13.268 7.915 12.354
245 HA LYS 27 HA LYS 27 15.076 8.413 14.534
246 HB2 LYS 27 HB2 LYS 27 13.129 9.885 13.927
247 HB3 LYS 27 HB1 LYS 27 12.042 8.642 14.537
248 HG2 LYS 27 HG2 LYS 27 12.970 8.901 16.794
249 HG3 LYS 27 HG1 LYS 27 14.151 10.071 16.191
250 HD2 LYS 27 HD2 LYS 27 12.310 11.603 15.568
251 HD3 LYS 27 HD1 LYS 27 11.131 10.436 16.176
252 HE2 LYS 27 HE2 LYS 27 12.081 10.675 18.455
253 HE3 LYS 27 HE1 LYS 27 13.258 11.842 17.838
254 HZ1 LYS 27 HZ1 LYS 27 11.363 12.921 18.875
255 HZ2 LYS 27 HZ2 LYS 27 10.305 12.182 17.784
256 HZ3 LYS 27 HZ3 LYS 27 11.442 13.305 17.231
257 H GLY 28 HN GLY 28 12.513 6.031 13.966
258 HA2 GLY 28 HA2 GLY 28 12.841 4.790 16.607
259 HA3 GLY 28 HA1 GLY 28 11.700 4.331 15.357
260 H TRP 29 HN TRP 29 14.917 4.690 14.248
261 HA TRP 29 HA TRP 29 15.477 1.798 14.408
262 HB2 TRP 29 HB2 TRP 29 15.631 3.464 11.840
263 HB3 TRP 29 HB1 TRP 29 16.095 1.774 12.000
264 HD1 TRP 29 HD1 TRP 29 12.920 4.003 11.970
265 HE1 TRP 29 HE1 TRP 29 10.913 2.554 11.300
266 HE3 TRP 29 HE3 TRP 29 15.202 -0.581 11.879
267 HZ2 TRP 29 HZ2 TRP 29 10.345 -0.155 10.807
268 HZ3 TRP 29 HZ3 TRP 29 13.853 -2.551 11.282
269 HH2 TRP 29 HH2 TRP 29 11.474 -2.342 10.757
270 HA PRO 30 HA PRO 30 19.632 3.373 15.425
271 HB2 PRO 30 HB2 PRO 30 21.000 0.986 15.060
272 HB3 PRO 30 HB1 PRO 30 20.054 1.366 16.507
273 HG2 PRO 30 HG2 PRO 30 19.252 -0.240 14.089
274 HG3 PRO 30 HG1 PRO 30 19.020 -0.622 15.809
275 HD2 PRO 30 HD2 PRO 30 17.007 0.380 14.341
276 HD3 PRO 30 HD1 PRO 30 17.232 0.876 16.033
277 HA PRO 31 HA PRO 31 21.584 4.575 11.581
278 HB2 PRO 31 HB2 PRO 31 24.291 3.743 12.599
279 HB3 PRO 31 HB1 PRO 31 23.732 5.331 12.049
280 HG2 PRO 31 HG2 PRO 31 24.079 4.876 14.648
281 HG3 PRO 31 HG1 PRO 31 22.671 5.808 14.096
282 HD2 PRO 31 HD2 PRO 31 22.812 2.899 14.918
283 HD3 PRO 31 HD1 PRO 31 21.624 4.139 15.378
284 H LYS 32 HN LYS 32 22.129 1.288 12.563
285 HA LYS 32 HA LYS 32 23.357 0.323 10.167
286 HB2 LYS 32 HB2 LYS 32 22.580 -1.936 10.967
287 HB3 LYS 32 HB1 LYS 32 23.510 -1.022 12.150
288 HG2 LYS 32 HG2 LYS 32 21.339 -0.329 13.218
289 HG3 LYS 32 HG1 LYS 32 20.500 -1.425 12.119
290 HD2 LYS 32 HD2 LYS 32 22.651 -2.274 14.105
291 HD3 LYS 32 HD1 LYS 32 20.916 -2.372 14.415
292 HE2 LYS 32 HE2 LYS 32 20.662 -3.957 12.548
293 HE3 LYS 32 HE1 LYS 32 22.385 -3.823 12.186
294 HZ1 LYS 32 HZ1 LYS 32 22.858 -4.738 14.381
295 HZ2 LYS 32 HZ2 LYS 32 21.927 -5.800 13.449
296 HZ3 LYS 32 HZ3 LYS 32 21.205 -4.900 14.684
297 H TYR 33 HN TYR 33 20.070 1.161 10.940
298 HA TYR 33 HA TYR 33 19.007 -0.038 8.452
299 HB2 TYR 33 HB2 TYR 33 17.567 1.081 10.889
300 HB3 TYR 33 HB1 TYR 33 16.749 0.501 9.445
301 HD1 TYR 33 HD1 TYR 33 17.378 -1.979 8.718
302 HD2 TYR 33 HD2 TYR 33 17.852 -0.443 12.673
303 HE1 TYR 33 HE1 TYR 33 17.330 -4.262 9.609
304 HE2 TYR 33 HE2 TYR 33 17.810 -2.729 13.568
305 HH TYR 33 HH TYR 33 18.024 -5.503 11.536
306 H SER 34 HN SER 34 20.353 2.892 9.351
307 HA SER 34 HA SER 34 18.646 4.652 7.846
308 HB2 SER 34 HB2 SER 34 20.515 6.257 7.898
309 HB3 SER 34 HB1 SER 34 20.279 5.555 9.496
310 HG SER 34 HG SER 34 22.013 3.996 8.415
311 H THR 35 HN THR 35 18.635 5.017 5.628
312 HA THR 35 HA THR 35 20.165 3.028 4.026
313 HB THR 35 HB THR 35 17.975 3.044 2.587
314 HG1 THR 35 HG1 THR 35 16.243 3.995 3.445
315 HG21 THR 35 HG21 THR 35 16.886 1.341 4.004
316 HG22 THR 35 HG22 THR 35 17.863 1.842 5.386
317 HG23 THR 35 HG23 THR 35 18.634 1.094 3.985
318 H TRP 36 HN TRP 36 21.349 3.811 2.361
319 HA TRP 36 HA TRP 36 21.307 6.544 1.464
320 HB2 TRP 36 HB2 TRP 36 22.580 4.087 0.141
321 HB3 TRP 36 HB1 TRP 36 22.867 5.750 -0.345
322 HD1 TRP 36 HD1 TRP 36 23.979 3.133 2.159
323 HE1 TRP 36 HE1 TRP 36 25.970 4.044 3.498
324 HE3 TRP 36 HE3 TRP 36 23.817 8.028 0.644
325 HZ2 TRP 36 HZ2 TRP 36 27.303 6.495 3.875
326 HZ3 TRP 36 HZ3 TRP 36 25.493 9.593 1.550
327 HH2 TRP 36 HH2 TRP 36 27.200 8.838 3.134
328 H GLU 37 HN GLU 37 19.419 7.170 0.521
329 HA GLU 37 HA GLU 37 18.453 5.748 -1.883
330 HB2 GLU 37 HB2 GLU 37 16.736 6.909 0.359
331 HB3 GLU 37 HB1 GLU 37 16.113 6.242 -1.147
332 HG2 GLU 37 HG2 GLU 37 16.820 4.026 -0.553
333 HG3 GLU 37 HG1 GLU 37 17.748 4.622 0.822
334 HA PRO 38 HA PRO 38 19.156 9.783 -3.618
335 HB2 PRO 38 HB2 PRO 38 17.814 9.592 -5.994
336 HB3 PRO 38 HB1 PRO 38 19.302 8.692 -5.662
337 HG2 PRO 38 HG2 PRO 38 16.439 7.752 -5.424
338 HG3 PRO 38 HG1 PRO 38 17.807 6.939 -6.215
339 HD2 PRO 38 HD2 PRO 38 17.014 6.251 -3.723
340 HD3 PRO 38 HD1 PRO 38 18.733 6.238 -4.180
341 H GLU 39 HN GLU 39 18.119 11.733 -4.446
342 HA GLU 39 HA GLU 39 16.214 12.888 -2.835
343 HB2 GLU 39 HB2 GLU 39 15.982 14.587 -4.853
344 HB3 GLU 39 HB1 GLU 39 17.499 14.434 -3.989
345 HG2 GLU 39 HG2 GLU 39 17.833 14.612 -6.426
346 HG3 GLU 39 HG1 GLU 39 18.460 13.095 -5.788
347 H GLU 40 HN GLU 40 15.555 10.844 -5.503
348 HA GLU 40 HA GLU 40 13.058 11.567 -6.429
349 HB2 GLU 40 HB2 GLU 40 14.489 9.793 -7.406
350 HB3 GLU 40 HB1 GLU 40 14.198 8.769 -6.010
351 HG2 GLU 40 HG2 GLU 40 12.777 7.867 -7.615
352 HG3 GLU 40 HG1 GLU 40 11.697 8.890 -6.677
353 H HIS 41 HN HIS 41 13.888 9.586 -3.588
354 HA HIS 41 HA HIS 41 11.117 8.880 -3.035
355 HB2 HIS 41 HB2 HIS 41 11.944 7.281 -1.572
356 HB3 HIS 41 HB1 HIS 41 13.275 7.408 -2.703
357 HD1 HIS 41 HD1 HIS 41 14.807 9.794 -1.563
358 HD2 HIS 41 HD2 HIS 41 13.132 6.830 0.789
359 HE1 HIS 41 HE1 HIS 41 16.097 9.849 0.587
360 HE2 HIS 41 HE2 HIS 41 15.226 7.861 1.866
361 H ILE 42 HN ILE 42 12.940 11.585 -2.341
362 HA ILE 42 HA ILE 42 11.972 12.128 0.345
363 HB ILE 42 HB ILE 42 13.402 13.947 -1.666
364 HG12 ILE 42 HG12 ILE 42 14.790 12.004 -0.836
365 HG13 ILE 42 HG11 ILE 42 15.452 13.576 -0.414
366 HG21 ILE 42 HG21 ILE 42 12.096 15.306 -0.104
367 HG22 ILE 42 HG22 ILE 42 13.812 15.478 0.237
368 HG23 ILE 42 HG23 ILE 42 12.810 14.469 1.280
369 HD11 ILE 42 HD11 ILE 42 15.673 11.954 1.392
370 HD12 ILE 42 HD12 ILE 42 13.920 11.772 1.457
371 HD13 ILE 42 HD13 ILE 42 14.663 13.320 1.870
372 H LEU 43 HN LEU 43 9.993 12.871 0.767
373 HA LEU 43 HA LEU 43 8.264 13.880 -1.369
374 HB2 LEU 43 HB2 LEU 43 7.686 13.304 1.577
375 HB3 LEU 43 HB1 LEU 43 6.492 13.863 0.419
376 HG LEU 43 HG LEU 43 6.925 11.717 -0.896
377 HD11 LEU 43 HD11 LEU 43 9.059 11.053 0.002
378 HD12 LEU 43 HD12 LEU 43 7.857 9.802 0.298
379 HD13 LEU 43 HD13 LEU 43 8.357 10.863 1.610
380 HD21 LEU 43 HD21 LEU 43 4.910 11.995 0.487
381 HD22 LEU 43 HD22 LEU 43 5.795 11.408 1.903
382 HD23 LEU 43 HD23 LEU 43 5.493 10.330 0.538
383 H ASP 44 HN ASP 44 9.652 14.965 1.715
384 HA ASP 44 HA ASP 44 8.382 17.616 1.471
385 HB2 ASP 44 HB2 ASP 44 8.065 16.183 3.541
386 HB3 ASP 44 HB1 ASP 44 9.784 16.348 3.873
387 HA PRO 45 HA PRO 45 12.431 19.256 0.245
388 HB2 PRO 45 HB2 PRO 45 11.931 21.932 0.491
389 HB3 PRO 45 HB1 PRO 45 11.280 20.954 -0.831
390 HG2 PRO 45 HG2 PRO 45 9.931 21.794 1.744
391 HG3 PRO 45 HG1 PRO 45 9.295 21.850 0.083
392 HD2 PRO 45 HD2 PRO 45 8.642 19.846 1.782
393 HD3 PRO 45 HD1 PRO 45 8.842 19.555 0.041
394 H ARG 46 HN ARG 46 10.966 20.265 3.310
395 HA ARG 46 HA ARG 46 13.312 21.528 4.393
396 HB2 ARG 46 HB2 ARG 46 10.826 20.479 5.818
397 HB3 ARG 46 HB1 ARG 46 12.049 21.517 6.547
398 HG2 ARG 46 HG2 ARG 46 10.327 22.296 4.175
399 HG3 ARG 46 HG1 ARG 46 9.961 22.704 5.852
400 HD2 ARG 46 HD2 ARG 46 12.382 23.616 4.257
401 HD3 ARG 46 HD1 ARG 46 11.007 24.613 4.734
402 HE ARG 46 HE ARG 46 13.268 23.827 6.356
403 HH11 ARG 46 HH11 ARG 46 9.931 24.959 6.556
404 HH12 ARG 46 HH12 ARG 46 10.151 25.674 8.118
405 HH21 ARG 46 HH21 ARG 46 13.520 24.763 8.412
406 HH22 ARG 46 HH22 ARG 46 12.178 25.553 9.173
407 H LEU 47 HN LEU 47 12.336 18.223 4.093
408 HA LEU 47 HA LEU 47 13.820 17.036 6.204
409 HB2 LEU 47 HB2 LEU 47 12.095 15.830 4.956
410 HB3 LEU 47 HB1 LEU 47 13.016 15.968 3.470
411 HG LEU 47 HG LEU 47 14.682 14.387 4.271
412 HD11 LEU 47 HD11 LEU 47 13.196 14.350 6.913
413 HD12 LEU 47 HD12 LEU 47 14.821 14.980 6.620
414 HD13 LEU 47 HD13 LEU 47 14.505 13.256 6.454
415 HD21 LEU 47 HD21 LEU 47 13.309 12.351 4.472
416 HD22 LEU 47 HD22 LEU 47 12.666 13.434 3.238
417 HD23 LEU 47 HD23 LEU 47 11.883 13.335 4.820
418 H VAL 48 HN VAL 48 14.676 17.727 2.817
419 HA VAL 48 HA VAL 48 17.447 16.974 3.009
420 HB VAL 48 HB VAL 48 15.912 18.616 0.945
421 HG11 VAL 48 HG11 VAL 48 18.790 17.635 0.748
422 HG12 VAL 48 HG12 VAL 48 18.265 19.320 0.825
423 HG13 VAL 48 HG13 VAL 48 17.864 18.334 -0.583
424 HG21 VAL 48 HG21 VAL 48 16.914 15.749 0.846
425 HG22 VAL 48 HG22 VAL 48 16.058 16.583 -0.453
426 HG23 VAL 48 HG23 VAL 48 15.238 16.251 1.075
427 H MET 49 HN MET 49 15.637 20.004 3.180
428 HA MET 49 HA MET 49 17.853 21.768 2.983
429 HB2 MET 49 HB2 MET 49 14.959 22.188 3.829
430 HB3 MET 49 HB1 MET 49 16.131 23.518 3.775
431 HG2 MET 49 HG2 MET 49 15.221 21.789 1.463
432 HG3 MET 49 HG1 MET 49 14.809 23.484 1.743
433 HE1 MET 49 HE1 MET 49 16.000 22.260 -1.013
434 HE2 MET 49 HE2 MET 49 17.183 23.487 -1.459
435 HE3 MET 49 HE3 MET 49 15.600 23.974 -0.853
436 H ALA 50 HN ALA 50 15.844 20.876 5.831
437 HA ALA 50 HA ALA 50 17.156 22.522 7.711
438 HB1 ALA 50 HB1 ALA 50 14.911 21.571 8.096
439 HB2 ALA 50 HB2 ALA 50 15.997 21.242 9.447
440 HB3 ALA 50 HB3 ALA 50 15.619 19.968 8.281
441 H TYR 51 HN TYR 51 17.925 19.278 6.607
442 HA TYR 51 HA TYR 51 19.861 18.435 8.430
443 HB2 TYR 51 HB2 TYR 51 19.183 16.889 6.754
444 HB3 TYR 51 HB1 TYR 51 19.449 18.035 5.451
445 HD1 TYR 51 HD1 TYR 51 21.466 16.235 8.093
446 HD2 TYR 51 HD2 TYR 51 21.301 17.653 4.069
447 HE1 TYR 51 HE1 TYR 51 23.643 15.193 7.632
448 HE2 TYR 51 HE2 TYR 51 23.476 16.620 3.612
449 HH TYR 51 HH TYR 51 25.464 15.888 4.839
450 H GLU 52 HN GLU 52 20.259 20.504 5.544
451 HA GLU 52 HA GLU 52 23.101 20.917 5.948
452 HB2 GLU 52 HB2 GLU 52 21.124 22.117 3.958
453 HB3 GLU 52 HB1 GLU 52 22.873 22.366 3.903
454 HG2 GLU 52 HG2 GLU 52 23.266 20.027 3.464
455 HG3 GLU 52 HG1 GLU 52 21.572 19.628 3.743
456 H GLU 53 HN GLU 53 20.134 22.681 6.649
457 HA GLU 53 HA GLU 53 21.681 24.855 7.949
458 HB2 GLU 53 HB2 GLU 53 19.731 26.387 7.390
459 HB3 GLU 53 HB1 GLU 53 20.699 25.880 6.012
460 HG2 GLU 53 HG2 GLU 53 18.966 24.189 5.435
461 HG3 GLU 53 HG1 GLU 53 17.996 24.733 6.795
462 H LYS 54 HN LYS 54 21.597 23.928 9.973
463 HA LYS 54 HA LYS 54 19.255 22.632 11.024
464 HB2 LYS 54 HB2 LYS 54 21.908 23.382 12.310
465 HB3 LYS 54 HB1 LYS 54 20.623 22.578 13.192
466 HG2 LYS 54 HG2 LYS 54 21.978 21.430 10.719
467 HG3 LYS 54 HG1 LYS 54 22.361 20.988 12.388
468 HD2 LYS 54 HD2 LYS 54 19.676 20.587 10.993
469 HD3 LYS 54 HD1 LYS 54 20.847 19.320 11.350
470 HE2 LYS 54 HE2 LYS 54 20.467 19.553 13.735
471 HE3 LYS 54 HE1 LYS 54 19.495 21.005 13.491
472 HZ1 LYS 54 HZ1 LYS 54 18.228 18.948 13.935
473 HZ2 LYS 54 HZ2 LYS 54 18.734 18.345 12.441
474 HZ3 LYS 54 HZ3 LYS 54 17.781 19.746 12.514
475 H GLU 55 HN GLU 55 18.262 23.104 12.988
476 HA GLU 55 HA GLU 55 18.272 25.897 13.950
477 HB2 GLU 55 HB2 GLU 55 16.014 25.497 14.842
478 HB3 GLU 55 HB1 GLU 55 16.031 25.199 13.112
479 HG2 GLU 55 HG2 GLU 55 16.150 22.996 15.205
480 HG3 GLU 55 HG1 GLU 55 14.653 23.582 14.489
481 H GLU 56 HN GLU 56 17.963 25.985 16.333
482 HA GLU 56 HA GLU 56 18.061 25.392 18.514
483 HB2 GLU 56 HB2 GLU 56 16.972 23.260 17.974
484 HB3 GLU 56 HB1 GLU 56 18.515 22.545 17.532
485 HG2 GLU 56 HG2 GLU 56 19.273 22.707 19.868
486 HG3 GLU 56 HG1 GLU 56 17.756 23.480 20.317
487 H1 ALA 1 HT1 ALA 1 1.037 8.728 13.385
488 H2 ALA 1 HT2 ALA 1 -0.070 9.996 13.513
489 H3 ALA 1 HT3 ALA 1 1.500 10.298 12.963
490 HA ALA 1 HA ALA 1 1.135 9.013 11.000
491 HB1 ALA 1 HB1 ALA 1 -1.084 8.072 10.496
492 HB2 ALA 1 HB2 ALA 1 -1.676 8.613 12.071
493 HB3 ALA 1 HB3 ALA 1 -0.421 7.375 11.978
494 H ARG 2 HN ARG 2 1.695 11.256 10.621
495 HA ARG 2 HA ARG 2 -0.446 12.789 9.353
496 HB2 ARG 2 HB2 ARG 2 -0.345 13.587 11.751
497 HB3 ARG 2 HB1 ARG 2 1.339 14.041 11.508
498 HG2 ARG 2 HG2 ARG 2 0.710 15.753 9.908
499 HG3 ARG 2 HG1 ARG 2 -0.971 15.212 9.919
500 HD2 ARG 2 HD2 ARG 2 0.507 16.421 12.290
501 HD3 ARG 2 HD1 ARG 2 -0.658 17.262 11.261
502 HE ARG 2 HE ARG 2 -2.029 15.073 12.175
503 HH11 ARG 2 HH11 ARG 2 -0.347 17.687 13.819
504 HH12 ARG 2 HH12 ARG 2 -1.428 17.680 15.175
505 HH21 ARG 2 HH21 ARG 2 -3.418 15.069 13.967
506 HH22 ARG 2 HH22 ARG 2 -3.163 16.197 15.262
507 H THR 3 HN THR 3 0.311 14.071 7.661
508 HA THR 3 HA THR 3 2.733 13.305 6.407
509 HB THR 3 HB THR 3 1.044 15.749 5.709
510 HG1 THR 3 HG1 THR 3 0.641 13.028 4.923
511 HG21 THR 3 HG21 THR 3 2.726 13.905 3.954
512 HG22 THR 3 HG22 THR 3 3.161 15.550 4.422
513 HG23 THR 3 HG23 THR 3 1.761 15.273 3.386
514 H LYS 4 HN LYS 4 4.713 13.958 6.935
515 HA LYS 4 HA LYS 4 5.299 16.709 7.864
516 HB2 LYS 4 HB2 LYS 4 6.265 14.094 9.139
517 HB3 LYS 4 HB1 LYS 4 6.898 15.688 9.540
518 HG2 LYS 4 HG2 LYS 4 4.687 16.358 10.407
519 HG3 LYS 4 HG1 LYS 4 4.042 14.759 10.005
520 HD2 LYS 4 HD2 LYS 4 5.595 13.708 11.606
521 HD3 LYS 4 HD1 LYS 4 6.318 15.283 11.965
522 HE2 LYS 4 HE2 LYS 4 3.435 14.484 12.522
523 HE3 LYS 4 HE1 LYS 4 4.725 14.627 13.719
524 HZ1 LYS 4 HZ1 LYS 4 3.589 16.830 12.083
525 HZ2 LYS 4 HZ2 LYS 4 4.911 16.988 13.123
526 HZ3 LYS 4 HZ3 LYS 4 3.395 16.600 13.748
527 H GLN 5 HN GLN 5 8.099 16.281 8.235
528 HA GLN 5 HA GLN 5 9.312 15.764 5.735
529 HB2 GLN 5 HB2 GLN 5 10.441 15.593 8.565
530 HB3 GLN 5 HB1 GLN 5 11.429 15.364 7.127
531 HG2 GLN 5 HG2 GLN 5 11.758 17.609 7.873
532 HG3 GLN 5 HG1 GLN 5 10.804 17.681 6.394
533 HE21 GLN 5 HE21 GLN 5 9.749 19.587 6.708
534 HE22 GLN 5 HE22 GLN 5 8.720 19.944 8.048
535 H THR 6 HN THR 6 9.068 13.891 4.662
536 HA THR 6 HA THR 6 9.192 11.307 6.074
537 HB THR 6 HB THR 6 6.925 11.929 4.113
538 HG1 THR 6 HG1 THR 6 6.858 13.208 6.130
539 HG21 THR 6 HG21 THR 6 7.250 9.737 6.202
540 HG22 THR 6 HG22 THR 6 7.412 9.530 4.454
541 HG23 THR 6 HG23 THR 6 5.849 9.958 5.154
542 H ALA 7 HN ALA 7 9.575 9.482 4.619
543 HA ALA 7 HA ALA 7 10.460 10.077 1.881
544 HB1 ALA 7 HB1 ALA 7 12.430 10.488 3.287
545 HB2 ALA 7 HB2 ALA 7 12.672 9.086 2.246
546 HB3 ALA 7 HB3 ALA 7 12.304 8.860 3.959
547 H ARG 8 HN ARG 8 10.046 8.425 0.489
548 HA ARG 8 HA ARG 8 8.707 6.001 1.352
549 HB2 ARG 8 HB2 ARG 8 9.677 6.702 -1.462
550 HB3 ARG 8 HB1 ARG 8 8.497 5.468 -1.030
551 HG2 ARG 8 HG2 ARG 8 6.921 7.253 -0.333
552 HG3 ARG 8 HG1 ARG 8 8.116 8.466 -0.806
553 HD2 ARG 8 HD2 ARG 8 8.072 7.483 -3.136
554 HD3 ARG 8 HD1 ARG 8 6.719 6.467 -2.621
555 HE ARG 8 HE ARG 8 6.037 9.123 -2.043
556 HH11 ARG 8 HH11 ARG 8 6.625 7.139 -4.888
557 HH12 ARG 8 HH12 ARG 8 5.660 8.131 -5.922
558 HH21 ARG 8 HH21 ARG 8 4.784 10.425 -3.447
559 HH22 ARG 8 HH22 ARG 8 4.619 9.980 -5.113
560 H M3L 9 HN M3L 9 9.911 4.193 2.016
561 HA M3L 9 HA M3L 9 12.651 3.852 1.372
562 HB2 M3L 9 HB2 M3L 9 10.640 1.848 2.452
563 HB3 M3L 9 HB1 M3L 9 12.353 1.478 2.211
564 HG2 M3L 9 HG2 M3L 9 12.840 3.499 3.723
565 HG3 M3L 9 HG1 M3L 9 11.119 3.462 4.139
566 HD2 M3L 9 HD2 M3L 9 11.330 1.212 5.039
567 HD3 M3L 9 HD1 M3L 9 13.001 1.095 4.468
568 HE2 M3L 9 HE2 M3L 9 13.470 3.154 5.969
569 HE3 M3L 9 HE1 M3L 9 11.893 2.833 6.694
570 HM11 M3L 9 HH33 M3L 9 13.006 2.519 8.902
571 HM12 M3L 9 HH31 M3L 9 14.571 2.837 8.147
572 HM13 M3L 9 HH32 M3L 9 14.323 1.354 9.075
573 HM21 M3L 9 HH11 M3L 9 11.514 0.692 7.977
574 HM22 M3L 9 HH12 M3L 9 12.842 -0.452 8.191
575 HM23 M3L 9 HH13 M3L 9 12.072 -0.279 6.611
576 HM31 M3L 9 HH21 M3L 9 15.334 1.497 6.203
577 HM32 M3L 9 HH22 M3L 9 14.315 0.210 5.551
578 HM33 M3L 9 HH23 M3L 9 15.084 0.008 7.127
579 H SER 10 HN SER 10 13.545 3.180 -0.390
580 HA SER 10 HA SER 10 12.286 2.324 -2.753
581 HB2 SER 10 HB2 SER 10 14.513 3.372 -2.762
582 HB3 SER 10 HB1 SER 10 15.180 2.050 -1.806
583 HG SER 10 HG SER 10 15.706 1.408 -3.762
584 H THR 11 HN THR 11 11.885 0.271 -3.579
585 HA THR 11 HA THR 11 11.476 -1.926 -1.862
586 HB THR 11 HB THR 11 11.762 -2.021 -4.909
587 HG1 THR 11 HG1 THR 11 9.429 -1.707 -4.831
588 HG21 THR 11 HG21 THR 11 10.184 -3.920 -4.771
589 HG22 THR 11 HG22 THR 11 10.165 -3.789 -3.012
590 HG23 THR 11 HG23 THR 11 11.649 -4.258 -3.845
591 H GLY 12 HN GLY 12 14.213 -0.926 -3.821
592 HA2 GLY 12 HA2 GLY 12 16.420 -1.572 -3.853
593 HA3 GLY 12 HA1 GLY 12 16.087 -2.636 -2.490
594 H GLY 13 HN GLY 13 14.383 -2.754 -5.560
595 HA2 GLY 13 HA2 GLY 13 14.905 -5.565 -5.940
596 HA3 GLY 13 HA1 GLY 13 13.970 -4.518 -6.996
597 H LYS 14 HN LYS 14 17.252 -5.368 -6.047
598 HA LYS 14 HA LYS 14 18.283 -5.530 -8.690
599 HB2 LYS 14 HB2 LYS 14 18.243 -3.044 -8.531
600 HB3 LYS 14 HB1 LYS 14 19.186 -3.105 -7.052
601 HG2 LYS 14 HG2 LYS 14 20.553 -2.434 -8.990
602 HG3 LYS 14 HG1 LYS 14 21.129 -3.942 -8.278
603 HD2 LYS 14 HD2 LYS 14 21.210 -4.122 -10.700
604 HD3 LYS 14 HD1 LYS 14 19.968 -5.211 -10.087
605 HE2 LYS 14 HE2 LYS 14 19.157 -4.112 -12.090
606 HE3 LYS 14 HE1 LYS 14 18.238 -3.507 -10.712
607 HZ1 LYS 14 HZ1 LYS 14 18.904 -1.739 -12.225
608 HZ2 LYS 14 HZ2 LYS 14 20.533 -2.123 -11.993
609 HZ3 LYS 14 HZ3 LYS 14 19.618 -1.530 -10.706
610 H ALA 15 HN ALA 15 20.287 -6.573 -8.705
611 HA ALA 15 HA ALA 15 21.129 -8.053 -6.460
612 HB1 ALA 15 HB1 ALA 15 23.023 -8.748 -7.881
613 HB2 ALA 15 HB2 ALA 15 22.624 -7.478 -9.045
614 HB3 ALA 15 HB3 ALA 15 21.503 -8.813 -8.763
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 2.210 1.184 -2.191
2 H2 GLY 1 HT2 GLY 1 1.493 -0.194 -2.859
3 H3 GLY 1 HT3 GLY 1 2.906 0.445 -3.539
4 HA2 GLY 1 HA1 GLY 1 2.710 -0.713 -0.820
5 HA3 GLY 1 HA2 GLY 1 3.344 -1.558 -2.230
6 H GLU 2 HN GLU 2 3.708 1.747 -0.933
7 HA GLU 2 HA GLU 2 6.593 1.705 -1.432
8 HB2 GLU 2 HB2 GLU 2 4.700 3.976 -0.669
9 HB3 GLU 2 HB1 GLU 2 6.435 4.183 -0.829
10 HG2 GLU 2 HG2 GLU 2 5.424 5.006 -2.823
11 HG3 GLU 2 HG1 GLU 2 6.245 3.501 -3.234
12 H GLN 3 HN GLN 3 8.024 1.358 0.145
13 HA GLN 3 HA GLN 3 7.183 0.902 2.875
14 HB2 GLN 3 HB2 GLN 3 9.910 0.731 1.518
15 HB3 GLN 3 HB1 GLN 3 9.647 0.340 3.211
16 HG2 GLN 3 HG2 GLN 3 9.712 -1.717 1.989
17 HG3 GLN 3 HG1 GLN 3 8.043 -1.454 2.491
18 HE21 GLN 3 HE21 GLN 3 7.147 -2.746 0.897
19 HE22 GLN 3 HE22 GLN 3 7.180 -2.341 -0.783
20 H VAL 4 HN VAL 4 6.433 3.014 3.389
21 HA VAL 4 HA VAL 4 8.453 5.125 3.706
22 HB VAL 4 HB VAL 4 6.586 6.658 4.194
23 HG11 VAL 4 HG11 VAL 4 6.180 5.066 1.634
24 HG12 VAL 4 HG12 VAL 4 7.312 6.400 1.873
25 HG13 VAL 4 HG13 VAL 4 5.574 6.700 1.933
26 HG21 VAL 4 HG21 VAL 4 4.987 5.130 5.273
27 HG22 VAL 4 HG22 VAL 4 4.730 4.279 3.750
28 HG23 VAL 4 HG23 VAL 4 4.212 5.959 3.921
29 H PHE 5 HN PHE 5 9.337 5.553 5.576
30 HA PHE 5 HA PHE 5 8.083 4.733 8.126
31 HB2 PHE 5 HB2 PHE 5 11.038 4.430 7.365
32 HB3 PHE 5 HB1 PHE 5 10.410 4.209 8.993
33 HD1 PHE 5 HD2 PHE 5 10.249 2.816 5.519
34 HD2 PHE 5 HD1 PHE 5 9.510 2.087 9.664
35 HE1 PHE 5 HE2 PHE 5 9.805 0.446 5.029
36 HE2 PHE 5 HE1 PHE 5 9.069 -0.282 9.163
37 HZ PHE 5 HZ PHE 5 9.211 -1.104 6.847
38 H ALA 6 HN ALA 6 8.491 6.156 9.866
39 HA ALA 6 HA ALA 6 8.767 8.914 9.225
40 HB1 ALA 6 HB1 ALA 6 8.833 7.575 11.955
41 HB2 ALA 6 HB2 ALA 6 7.384 8.129 11.113
42 HB3 ALA 6 HB3 ALA 6 8.591 9.298 11.648
43 H VAL 7 HN VAL 7 10.599 9.965 8.835
44 HA VAL 7 HA VAL 7 13.188 8.835 9.679
45 HB VAL 7 HB VAL 7 14.225 10.115 7.918
46 HG11 VAL 7 HG11 VAL 7 11.655 8.910 6.838
47 HG12 VAL 7 HG12 VAL 7 13.153 8.046 7.181
48 HG13 VAL 7 HG13 VAL 7 13.113 9.252 5.898
49 HG21 VAL 7 HG21 VAL 7 12.976 12.217 8.116
50 HG22 VAL 7 HG22 VAL 7 11.550 11.461 7.405
51 HG23 VAL 7 HG23 VAL 7 13.013 11.672 6.441
52 H GLU 8 HN GLU 8 14.739 10.096 10.687
53 HA GLU 8 HA GLU 8 13.932 12.274 12.370
54 HB2 GLU 8 HB2 GLU 8 15.645 10.677 13.095
55 HB3 GLU 8 HB1 GLU 8 16.647 11.054 11.701
56 HG2 GLU 8 HG2 GLU 8 17.027 13.319 12.577
57 HG3 GLU 8 HG1 GLU 8 15.986 12.960 13.959
58 H SER 9 HN SER 9 16.590 12.108 10.039
59 HA SER 9 HA SER 9 15.794 14.306 8.391
60 HB2 SER 9 HB2 SER 9 18.210 14.679 10.246
61 HB3 SER 9 HB1 SER 9 17.806 15.750 8.903
62 HG SER 9 HG SER 9 15.645 15.759 10.261
63 H ILE 10 HN ILE 10 17.883 14.817 6.943
64 HA ILE 10 HA ILE 10 19.065 12.421 5.899
65 HB ILE 10 HB ILE 10 20.036 15.299 5.521
66 HG12 ILE 10 HG12 ILE 10 17.661 15.216 4.926
67 HG13 ILE 10 HG11 ILE 10 18.630 15.405 3.476
68 HG21 ILE 10 HG21 ILE 10 20.976 14.490 3.388
69 HG22 ILE 10 HG22 ILE 10 20.415 12.856 3.758
70 HG23 ILE 10 HG23 ILE 10 21.646 13.614 4.770
71 HD11 ILE 10 HD11 ILE 10 17.278 12.884 4.426
72 HD12 ILE 10 HD12 ILE 10 18.295 13.014 2.990
73 HD13 ILE 10 HD13 ILE 10 16.788 13.921 3.088
74 H ARG 11 HN ARG 11 20.738 11.346 6.846
75 HA ARG 11 HA ARG 11 22.324 12.416 9.007
76 HB2 ARG 11 HB2 ARG 11 21.591 9.928 8.632
77 HB3 ARG 11 HB1 ARG 11 22.921 9.831 7.495
78 HG2 ARG 11 HG2 ARG 11 23.158 10.408 10.480
79 HG3 ARG 11 HG1 ARG 11 23.483 8.862 9.700
80 HD2 ARG 11 HD2 ARG 11 25.321 10.063 8.389
81 HD3 ARG 11 HD1 ARG 11 25.075 11.438 9.474
82 HE ARG 11 HE ARG 11 25.593 8.863 10.739
83 HH11 ARG 11 HH11 ARG 11 27.013 11.918 9.724
84 HH12 ARG 11 HH12 ARG 11 28.438 11.680 10.678
85 HH21 ARG 11 HH21 ARG 11 27.489 8.564 11.908
86 HH22 ARG 11 HH22 ARG 11 28.709 9.795 11.900
87 H LYS 12 HN LYS 12 23.105 11.233 5.682
88 HA LYS 12 HA LYS 12 25.146 13.345 5.360
89 HB2 LYS 12 HB2 LYS 12 25.537 10.389 4.727
90 HB3 LYS 12 HB1 LYS 12 26.574 11.660 4.081
91 HG2 LYS 12 HG2 LYS 12 27.201 12.290 6.409
92 HG3 LYS 12 HG1 LYS 12 26.214 10.951 7.006
93 HD2 LYS 12 HD2 LYS 12 27.648 9.340 5.809
94 HD3 LYS 12 HD1 LYS 12 28.614 10.668 5.154
95 HE2 LYS 12 HE2 LYS 12 28.340 9.953 8.095
96 HE3 LYS 12 HE1 LYS 12 29.735 9.608 7.069
97 HZ1 LYS 12 HZ1 LYS 12 30.034 12.005 6.767
98 HZ2 LYS 12 HZ2 LYS 12 30.115 11.571 8.400
99 HZ3 LYS 12 HZ3 LYS 12 28.726 12.313 7.785
100 H LYS 13 HN LYS 13 25.780 13.560 3.004
101 HA LYS 13 HA LYS 13 23.504 13.280 1.187
102 HB2 LYS 13 HB2 LYS 13 22.871 15.242 2.498
103 HB3 LYS 13 HB1 LYS 13 24.476 15.943 2.325
104 HG2 LYS 13 HG2 LYS 13 24.105 16.322 -0.053
105 HG3 LYS 13 HG1 LYS 13 22.554 15.486 0.027
106 HD2 LYS 13 HD2 LYS 13 21.774 17.276 1.653
107 HD3 LYS 13 HD1 LYS 13 23.282 18.139 1.323
108 HE2 LYS 13 HE2 LYS 13 21.159 17.425 -0.743
109 HE3 LYS 13 HE1 LYS 13 21.402 19.025 -0.028
110 HZ1 LYS 13 HZ1 LYS 13 23.406 17.561 -1.661
111 HZ2 LYS 13 HZ2 LYS 13 23.564 19.124 -1.048
112 HZ3 LYS 13 HZ3 LYS 13 22.402 18.805 -2.228
113 H ARG 14 HN ARG 14 24.181 13.253 -0.904
114 HA ARG 14 HA ARG 14 26.580 14.460 -1.892
115 HB2 ARG 14 HB2 ARG 14 27.959 12.527 -2.279
116 HB3 ARG 14 HB1 ARG 14 27.500 12.477 -0.581
117 HG2 ARG 14 HG2 ARG 14 25.739 10.788 -1.152
118 HG3 ARG 14 HG1 ARG 14 26.318 10.804 -2.823
119 HD2 ARG 14 HD2 ARG 14 28.634 10.209 -1.810
120 HD3 ARG 14 HD1 ARG 14 27.729 9.807 -0.343
121 HE ARG 14 HE ARG 14 26.394 8.360 -2.131
122 HH11 ARG 14 HH11 ARG 14 29.884 8.714 -1.778
123 HH12 ARG 14 HH12 ARG 14 30.219 7.147 -2.439
124 HH21 ARG 14 HH21 ARG 14 26.853 6.353 -3.032
125 HH22 ARG 14 HH22 ARG 14 28.494 5.801 -3.145
126 H VAL 15 HN VAL 15 27.041 13.592 -4.216
127 HA VAL 15 HA VAL 15 24.700 12.302 -5.499
128 HB VAL 15 HB VAL 15 26.472 14.343 -6.926
129 HG11 VAL 15 HG11 VAL 15 23.816 13.098 -7.747
130 HG12 VAL 15 HG12 VAL 15 25.399 12.687 -8.410
131 HG13 VAL 15 HG13 VAL 15 24.721 14.294 -8.680
132 HG21 VAL 15 HG21 VAL 15 23.713 14.852 -5.735
133 HG22 VAL 15 HG22 VAL 15 24.603 15.974 -6.769
134 HG23 VAL 15 HG23 VAL 15 25.234 15.556 -5.175
135 H ARG 16 HN ARG 16 25.324 10.324 -6.172
136 HA ARG 16 HA ARG 16 28.138 9.814 -6.938
137 HB2 ARG 16 HB2 ARG 16 27.428 8.529 -4.946
138 HB3 ARG 16 HB1 ARG 16 26.049 7.885 -5.822
139 HG2 ARG 16 HG2 ARG 16 27.814 6.202 -5.669
140 HG3 ARG 16 HG1 ARG 16 27.571 6.678 -7.354
141 HD2 ARG 16 HD2 ARG 16 29.529 8.273 -7.067
142 HD3 ARG 16 HD1 ARG 16 29.825 7.510 -5.500
143 HE ARG 16 HE ARG 16 29.706 5.491 -7.437
144 HH11 ARG 16 HH11 ARG 16 31.829 8.169 -6.592
145 HH12 ARG 16 HH12 ARG 16 33.225 7.442 -7.322
146 HH21 ARG 16 HH21 ARG 16 31.528 4.562 -8.373
147 HH22 ARG 16 HH22 ARG 16 33.048 5.395 -8.349
148 H LYS 17 HN LYS 17 28.075 10.190 -9.086
149 HA LYS 17 HA LYS 17 27.789 9.876 -11.287
150 HB2 LYS 17 HB2 LYS 17 28.762 7.684 -10.605
151 HB3 LYS 17 HB1 LYS 17 27.145 7.016 -10.457
152 HG2 LYS 17 HG2 LYS 17 28.232 6.314 -12.550
153 HG3 LYS 17 HG1 LYS 17 26.781 7.269 -12.870
154 HD2 LYS 17 HD2 LYS 17 28.221 9.265 -13.285
155 HD3 LYS 17 HD1 LYS 17 29.652 8.266 -13.008
156 HE2 LYS 17 HE2 LYS 17 29.250 8.559 -15.401
157 HE3 LYS 17 HE1 LYS 17 29.036 6.867 -14.961
158 HZ1 LYS 17 HZ1 LYS 17 26.657 7.170 -14.997
159 HZ2 LYS 17 HZ2 LYS 17 27.308 7.701 -16.469
160 HZ3 LYS 17 HZ3 LYS 17 26.830 8.821 -15.300
161 H GLY 18 HN GLY 18 25.720 11.226 -10.473
162 HA2 GLY 18 HA2 GLY 18 23.855 11.990 -11.678
163 HA3 GLY 18 HA1 GLY 18 23.603 10.379 -12.327
164 H LYS 19 HN LYS 19 23.900 9.427 -9.332
165 HA LYS 19 HA LYS 19 21.062 9.828 -8.645
166 HB2 LYS 19 HB2 LYS 19 23.152 8.094 -7.238
167 HB3 LYS 19 HB1 LYS 19 21.439 8.194 -6.836
168 HG2 LYS 19 HG2 LYS 19 21.029 7.312 -9.242
169 HG3 LYS 19 HG1 LYS 19 22.747 6.883 -9.225
170 HD2 LYS 19 HD2 LYS 19 22.284 5.647 -7.023
171 HD3 LYS 19 HD1 LYS 19 20.567 5.903 -7.335
172 HE2 LYS 19 HE2 LYS 19 21.225 3.657 -8.019
173 HE3 LYS 19 HE1 LYS 19 20.800 4.601 -9.448
174 HZ1 LYS 19 HZ1 LYS 19 23.572 4.195 -8.482
175 HZ2 LYS 19 HZ2 LYS 19 23.094 4.917 -9.936
176 HZ3 LYS 19 HZ3 LYS 19 22.839 3.267 -9.688
177 H VAL 20 HN VAL 20 20.584 11.532 -7.365
178 HA VAL 20 HA VAL 20 22.594 12.715 -5.598
179 HB VAL 20 HB VAL 20 19.636 13.397 -5.954
180 HG11 VAL 20 HG11 VAL 20 20.146 15.520 -4.796
181 HG12 VAL 20 HG12 VAL 20 21.798 14.970 -4.518
182 HG13 VAL 20 HG13 VAL 20 20.450 14.126 -3.755
183 HG21 VAL 20 HG21 VAL 20 20.897 13.789 -8.039
184 HG22 VAL 20 HG22 VAL 20 22.065 14.778 -7.161
185 HG23 VAL 20 HG23 VAL 20 20.392 15.320 -7.314
186 H GLU 21 HN GLU 21 23.008 11.487 -3.821
187 HA GLU 21 HA GLU 21 20.900 9.696 -2.778
188 HB2 GLU 21 HB2 GLU 21 23.927 9.424 -2.538
189 HB3 GLU 21 HB1 GLU 21 22.731 8.274 -1.936
190 HG2 GLU 21 HG2 GLU 21 22.005 7.859 -4.263
191 HG3 GLU 21 HG1 GLU 21 23.261 8.956 -4.844
192 H TYR 22 HN TYR 22 20.377 9.705 -0.699
193 HA TYR 22 HA TYR 22 21.815 11.467 1.190
194 HB2 TYR 22 HB2 TYR 22 18.807 10.968 1.072
195 HB3 TYR 22 HB1 TYR 22 19.646 12.020 2.208
196 HD1 TYR 22 HD2 TYR 22 21.444 13.582 0.454
197 HD2 TYR 22 HD1 TYR 22 17.410 12.355 -0.187
198 HE1 TYR 22 HE2 TYR 22 21.096 15.492 -1.045
199 HE2 TYR 22 HE1 TYR 22 17.060 14.276 -1.671
200 HH TYR 22 HH TYR 22 19.618 16.225 -2.823
201 H LEU 23 HN LEU 23 22.853 10.005 2.500
202 HA LEU 23 HA LEU 23 21.773 7.580 3.542
203 HB2 LEU 23 HB2 LEU 23 24.192 8.273 3.749
204 HB3 LEU 23 HB1 LEU 23 23.707 9.549 4.849
205 HG LEU 23 HG LEU 23 22.856 7.770 6.437
206 HD11 LEU 23 HD11 LEU 23 22.531 5.955 4.831
207 HD12 LEU 23 HD12 LEU 23 23.582 5.461 6.153
208 HD13 LEU 23 HD13 LEU 23 24.277 5.846 4.575
209 HD21 LEU 23 HD21 LEU 23 25.823 7.639 5.772
210 HD22 LEU 23 HD22 LEU 23 25.077 7.163 7.302
211 HD23 LEU 23 HD23 LEU 23 25.037 8.849 6.792
212 H VAL 24 HN VAL 24 19.694 7.763 4.339
213 HA VAL 24 HA VAL 24 18.996 10.086 5.992
214 HB VAL 24 HB VAL 24 17.202 8.030 4.642
215 HG11 VAL 24 HG11 VAL 24 16.107 8.829 6.700
216 HG12 VAL 24 HG12 VAL 24 15.294 9.489 5.280
217 HG13 VAL 24 HG13 VAL 24 16.389 10.506 6.218
218 HG21 VAL 24 HG21 VAL 24 16.551 9.936 3.185
219 HG22 VAL 24 HG22 VAL 24 18.260 9.528 3.036
220 HG23 VAL 24 HG23 VAL 24 17.768 10.935 3.979
221 H LYS 25 HN LYS 25 18.710 9.873 8.140
222 HA LYS 25 HA LYS 25 18.927 7.231 9.377
223 HB2 LYS 25 HB2 LYS 25 20.041 9.573 10.138
224 HB3 LYS 25 HB1 LYS 25 18.533 9.747 11.020
225 HG2 LYS 25 HG2 LYS 25 20.533 7.473 11.303
226 HG3 LYS 25 HG1 LYS 25 20.329 8.818 12.425
227 HD2 LYS 25 HD2 LYS 25 18.157 6.759 11.823
228 HD3 LYS 25 HD1 LYS 25 19.295 6.625 13.162
229 HE2 LYS 25 HE2 LYS 25 17.338 8.910 12.788
230 HE3 LYS 25 HE1 LYS 25 17.086 7.527 13.846
231 HZ1 LYS 25 HZ1 LYS 25 19.092 8.182 15.056
232 HZ2 LYS 25 HZ2 LYS 25 17.897 9.378 15.100
233 HZ3 LYS 25 HZ3 LYS 25 19.236 9.556 14.082
234 H TRP 26 HN TRP 26 17.097 6.105 9.452
235 HA TRP 26 HA TRP 26 14.441 7.294 9.532
236 HB2 TRP 26 HB2 TRP 26 15.194 4.327 9.679
237 HB3 TRP 26 HB1 TRP 26 13.642 5.009 9.198
238 HD1 TRP 26 HD1 TRP 26 17.265 4.618 7.878
239 HE1 TRP 26 HE1 TRP 26 17.249 4.871 5.325
240 HE3 TRP 26 HE3 TRP 26 12.337 5.803 7.184
241 HZ2 TRP 26 HZ2 TRP 26 15.441 5.498 3.294
242 HZ3 TRP 26 HZ3 TRP 26 11.547 6.206 4.890
243 HH2 TRP 26 HH2 TRP 26 13.068 6.054 2.988
244 H LYS 27 HN LYS 27 13.712 7.999 11.516
245 HA LYS 27 HA LYS 27 15.198 7.400 13.881
246 HB2 LYS 27 HB2 LYS 27 13.687 8.956 15.048
247 HB3 LYS 27 HB1 LYS 27 14.290 9.636 13.543
248 HG2 LYS 27 HG2 LYS 27 12.123 9.072 12.452
249 HG3 LYS 27 HG1 LYS 27 11.524 8.474 14.005
250 HD2 LYS 27 HD2 LYS 27 11.781 10.720 14.982
251 HD3 LYS 27 HD1 LYS 27 12.443 11.327 13.460
252 HE2 LYS 27 HE2 LYS 27 10.260 10.783 12.354
253 HE3 LYS 27 HE1 LYS 27 9.617 10.308 13.930
254 HZ1 LYS 27 HZ1 LYS 27 8.987 12.549 13.423
255 HZ2 LYS 27 HZ2 LYS 27 10.593 13.000 13.158
256 HZ3 LYS 27 HZ3 LYS 27 10.088 12.574 14.713
257 H GLY 28 HN GLY 28 12.285 6.047 12.546
258 HA2 GLY 28 HA2 GLY 28 11.167 4.870 14.874
259 HA3 GLY 28 HA1 GLY 28 10.931 4.311 13.225
260 H TRP 29 HN TRP 29 13.671 3.819 12.648
261 HA TRP 29 HA TRP 29 14.180 1.311 14.139
262 HB2 TRP 29 HB2 TRP 29 15.011 2.280 11.356
263 HB3 TRP 29 HB1 TRP 29 15.651 0.812 12.086
264 HD1 TRP 29 HD1 TRP 29 11.946 2.065 11.733
265 HE1 TRP 29 HE1 TRP 29 10.585 0.171 10.655
266 HE3 TRP 29 HE3 TRP 29 15.681 -1.348 11.027
267 HZ2 TRP 29 HZ2 TRP 29 11.027 -2.398 9.602
268 HZ3 TRP 29 HZ3 TRP 29 15.141 -3.495 9.965
269 HH2 TRP 29 HH2 TRP 29 12.856 -4.016 9.267
270 HA PRO 30 HA PRO 30 18.080 3.062 15.677
271 HB2 PRO 30 HB2 PRO 30 19.831 0.958 15.602
272 HB3 PRO 30 HB1 PRO 30 18.515 1.062 16.778
273 HG2 PRO 30 HG2 PRO 30 18.639 -0.484 14.200
274 HG3 PRO 30 HG1 PRO 30 18.037 -1.003 15.788
275 HD2 PRO 30 HD2 PRO 30 16.361 -0.175 13.790
276 HD3 PRO 30 HD1 PRO 30 15.983 0.069 15.508
277 HA PRO 31 HA PRO 31 20.186 4.834 12.212
278 HB2 PRO 31 HB2 PRO 31 22.752 5.309 13.221
279 HB3 PRO 31 HB1 PRO 31 21.326 6.294 13.575
280 HG2 PRO 31 HG2 PRO 31 22.513 4.028 15.175
281 HG3 PRO 31 HG1 PRO 31 21.970 5.625 15.734
282 HD2 PRO 31 HD2 PRO 31 20.395 3.510 16.080
283 HD3 PRO 31 HD1 PRO 31 19.678 5.054 15.541
284 H LYS 32 HN LYS 32 21.368 1.777 13.283
285 HA LYS 32 HA LYS 32 23.393 1.365 11.302
286 HB2 LYS 32 HB2 LYS 32 23.110 -1.060 11.840
287 HB3 LYS 32 HB1 LYS 32 23.346 -0.056 13.266
288 HG2 LYS 32 HG2 LYS 32 20.960 -0.174 13.798
289 HG3 LYS 32 HG1 LYS 32 20.644 -1.057 12.305
290 HD2 LYS 32 HD2 LYS 32 20.665 -2.574 14.244
291 HD3 LYS 32 HD1 LYS 32 21.971 -2.964 13.123
292 HE2 LYS 32 HE2 LYS 32 23.563 -1.742 14.591
293 HE3 LYS 32 HE1 LYS 32 22.243 -1.397 15.710
294 HZ1 LYS 32 HZ1 LYS 32 23.209 -4.096 14.975
295 HZ2 LYS 32 HZ2 LYS 32 21.976 -3.748 16.075
296 HZ3 LYS 32 HZ3 LYS 32 23.564 -3.282 16.410
297 H TYR 33 HN TYR 33 19.993 1.589 11.062
298 HA TYR 33 HA TYR 33 19.878 0.204 8.447
299 HB2 TYR 33 HB2 TYR 33 17.659 1.081 10.359
300 HB3 TYR 33 HB1 TYR 33 17.366 0.400 8.756
301 HD1 TYR 33 HD2 TYR 33 18.154 -1.960 8.251
302 HD2 TYR 33 HD1 TYR 33 18.126 -0.390 12.221
303 HE1 TYR 33 HE2 TYR 33 18.292 -4.239 9.148
304 HE2 TYR 33 HE1 TYR 33 18.263 -2.676 13.119
305 HH TYR 33 HH TYR 33 19.043 -5.366 11.197
306 H SER 34 HN SER 34 20.890 3.059 9.255
307 HA SER 34 HA SER 34 19.313 4.865 7.689
308 HB2 SER 34 HB2 SER 34 21.334 6.335 7.752
309 HB3 SER 34 HB1 SER 34 20.923 5.732 9.357
310 HG SER 34 HG SER 34 22.845 4.454 7.704
311 H THR 35 HN THR 35 19.066 4.754 5.513
312 HA THR 35 HA THR 35 20.973 3.162 3.890
313 HB THR 35 HB THR 35 19.036 2.800 2.323
314 HG1 THR 35 HG1 THR 35 17.305 3.979 2.583
315 HG21 THR 35 HG21 THR 35 17.748 1.229 3.732
316 HG22 THR 35 HG22 THR 35 18.436 1.959 5.185
317 HG23 THR 35 HG23 THR 35 19.478 1.088 4.058
318 H TRP 36 HN TRP 36 21.879 4.031 2.076
319 HA TRP 36 HA TRP 36 21.626 6.839 1.437
320 HB2 TRP 36 HB2 TRP 36 23.066 4.572 -0.037
321 HB3 TRP 36 HB1 TRP 36 23.149 6.267 -0.501
322 HD1 TRP 36 HD1 TRP 36 24.474 3.820 2.144
323 HE1 TRP 36 HE1 TRP 36 26.414 4.949 3.400
324 HE3 TRP 36 HE3 TRP 36 24.024 8.563 0.257
325 HZ2 TRP 36 HZ2 TRP 36 27.596 7.503 3.582
326 HZ3 TRP 36 HZ3 TRP 36 25.594 10.295 1.037
327 HH2 TRP 36 HH2 TRP 36 27.344 9.777 2.669
328 H GLU 37 HN GLU 37 19.456 7.047 0.992
329 HA GLU 37 HA GLU 37 18.312 5.705 -1.361
330 HB2 GLU 37 HB2 GLU 37 17.218 6.747 1.195
331 HB3 GLU 37 HB1 GLU 37 16.244 7.169 -0.202
332 HG2 GLU 37 HG2 GLU 37 17.058 4.342 0.528
333 HG3 GLU 37 HG1 GLU 37 15.512 5.086 0.946
334 HA PRO 38 HA PRO 38 19.110 9.480 -3.719
335 HB2 PRO 38 HB2 PRO 38 17.632 8.883 -5.956
336 HB3 PRO 38 HB1 PRO 38 19.192 8.131 -5.602
337 HG2 PRO 38 HG2 PRO 38 16.418 7.072 -5.083
338 HG3 PRO 38 HG1 PRO 38 17.811 6.232 -5.796
339 HD2 PRO 38 HD2 PRO 38 17.123 5.892 -3.203
340 HD3 PRO 38 HD1 PRO 38 18.829 5.889 -3.715
341 H GLU 39 HN GLU 39 17.922 11.314 -4.664
342 HA GLU 39 HA GLU 39 16.240 12.371 -2.692
343 HB2 GLU 39 HB2 GLU 39 16.076 14.393 -4.068
344 HB3 GLU 39 HB1 GLU 39 17.727 13.792 -4.064
345 HG2 GLU 39 HG2 GLU 39 17.591 13.040 -6.297
346 HG3 GLU 39 HG1 GLU 39 15.836 13.091 -6.310
347 H GLU 40 HN GLU 40 15.309 10.466 -5.315
348 HA GLU 40 HA GLU 40 12.785 11.388 -6.080
349 HB2 GLU 40 HB2 GLU 40 13.344 8.419 -5.795
350 HB3 GLU 40 HB1 GLU 40 12.445 9.254 -7.059
351 HG2 GLU 40 HG2 GLU 40 15.457 9.151 -6.689
352 HG3 GLU 40 HG1 GLU 40 14.519 8.350 -7.944
353 H HIS 41 HN HIS 41 13.815 9.621 -3.221
354 HA HIS 41 HA HIS 41 11.170 8.778 -2.412
355 HB2 HIS 41 HB2 HIS 41 12.212 7.557 -0.699
356 HB3 HIS 41 HB1 HIS 41 13.403 7.536 -1.988
357 HD1 HIS 41 HD1 HIS 41 13.469 7.551 1.399
358 HD2 HIS 41 HD2 HIS 41 15.148 10.176 -1.332
359 HE1 HIS 41 HE1 HIS 41 15.324 8.687 2.621
360 HE2 HIS 41 HE2 HIS 41 16.503 10.049 0.868
361 H ILE 42 HN ILE 42 12.807 11.712 -2.074
362 HA ILE 42 HA ILE 42 12.130 12.444 0.626
363 HB ILE 42 HB ILE 42 13.034 14.158 -1.741
364 HG12 ILE 42 HG12 ILE 42 14.694 12.426 -1.073
365 HG13 ILE 42 HG11 ILE 42 15.286 14.051 -0.755
366 HG21 ILE 42 HG21 ILE 42 13.653 15.887 -0.077
367 HG22 ILE 42 HG22 ILE 42 12.913 14.921 1.203
368 HG23 ILE 42 HG23 ILE 42 11.916 15.581 -0.096
369 HD11 ILE 42 HD11 ILE 42 14.183 12.131 1.298
370 HD12 ILE 42 HD12 ILE 42 14.777 13.761 1.629
371 HD13 ILE 42 HD13 ILE 42 15.881 12.525 1.028
372 H LEU 43 HN LEU 43 10.154 13.101 1.345
373 HA LEU 43 HA LEU 43 8.127 14.046 -0.615
374 HB2 LEU 43 HB2 LEU 43 7.675 13.009 2.209
375 HB3 LEU 43 HB1 LEU 43 6.445 13.328 0.990
376 HG LEU 43 HG LEU 43 8.513 11.088 0.971
377 HD11 LEU 43 HD11 LEU 43 5.489 10.969 1.146
378 HD12 LEU 43 HD12 LEU 43 6.631 10.679 2.458
379 HD13 LEU 43 HD13 LEU 43 6.588 9.587 1.080
380 HD21 LEU 43 HD21 LEU 43 8.249 11.901 -1.309
381 HD22 LEU 43 HD22 LEU 43 6.495 11.748 -1.196
382 HD23 LEU 43 HD23 LEU 43 7.518 10.311 -1.129
383 H ASP 44 HN ASP 44 10.311 15.422 1.401
384 HA ASP 44 HA ASP 44 8.662 17.753 2.067
385 HB2 ASP 44 HB2 ASP 44 8.480 16.194 4.033
386 HB3 ASP 44 HB1 ASP 44 10.231 16.186 4.183
387 HA PRO 45 HA PRO 45 12.584 19.574 0.592
388 HB2 PRO 45 HB2 PRO 45 12.076 22.203 1.299
389 HB3 PRO 45 HB1 PRO 45 11.409 21.431 -0.145
390 HG2 PRO 45 HG2 PRO 45 10.120 21.818 2.561
391 HG3 PRO 45 HG1 PRO 45 9.434 22.108 0.947
392 HD2 PRO 45 HD2 PRO 45 8.840 19.869 2.300
393 HD3 PRO 45 HD1 PRO 45 9.090 19.817 0.540
394 H ARG 46 HN ARG 46 11.344 20.386 3.828
395 HA ARG 46 HA ARG 46 13.813 21.471 4.824
396 HB2 ARG 46 HB2 ARG 46 11.301 20.621 6.317
397 HB3 ARG 46 HB1 ARG 46 12.614 21.590 6.997
398 HG2 ARG 46 HG2 ARG 46 12.142 23.397 5.423
399 HG3 ARG 46 HG1 ARG 46 10.910 22.415 4.623
400 HD2 ARG 46 HD2 ARG 46 9.583 22.409 6.718
401 HD3 ARG 46 HD1 ARG 46 10.803 23.438 7.479
402 HE ARG 46 HE ARG 46 10.283 25.127 5.747
403 HH11 ARG 46 HH11 ARG 46 7.845 22.723 6.508
404 HH12 ARG 46 HH12 ARG 46 6.535 23.695 5.929
405 HH21 ARG 46 HH21 ARG 46 8.579 26.404 5.013
406 HH22 ARG 46 HH22 ARG 46 6.952 25.814 5.114
407 H LEU 47 HN LEU 47 12.535 18.276 4.589
408 HA LEU 47 HA LEU 47 14.025 16.828 6.431
409 HB2 LEU 47 HB2 LEU 47 12.354 15.849 4.941
410 HB3 LEU 47 HB1 LEU 47 13.327 16.218 3.532
411 HG LEU 47 HG LEU 47 14.900 14.473 4.030
412 HD11 LEU 47 HD11 LEU 47 13.513 14.085 6.697
413 HD12 LEU 47 HD12 LEU 47 15.139 14.725 6.433
414 HD13 LEU 47 HD13 LEU 47 14.777 13.049 6.031
415 HD21 LEU 47 HD21 LEU 47 13.464 12.465 3.989
416 HD22 LEU 47 HD22 LEU 47 12.818 13.733 2.949
417 HD23 LEU 47 HD23 LEU 47 12.085 13.429 4.528
418 H VAL 48 HN VAL 48 15.029 18.083 3.266
419 HA VAL 48 HA VAL 48 17.821 17.283 3.611
420 HB VAL 48 HB VAL 48 16.508 18.775 1.300
421 HG11 VAL 48 HG11 VAL 48 18.483 18.058 -0.028
422 HG12 VAL 48 HG12 VAL 48 19.191 17.339 1.420
423 HG13 VAL 48 HG13 VAL 48 18.950 19.085 1.332
424 HG21 VAL 48 HG21 VAL 48 16.424 16.585 0.124
425 HG22 VAL 48 HG22 VAL 48 15.439 16.574 1.590
426 HG23 VAL 48 HG23 VAL 48 17.018 15.783 1.583
427 H MET 49 HN MET 49 15.853 20.217 3.582
428 HA MET 49 HA MET 49 18.000 22.093 3.275
429 HB2 MET 49 HB2 MET 49 15.083 22.510 4.079
430 HB3 MET 49 HB1 MET 49 16.221 23.828 3.766
431 HG2 MET 49 HG2 MET 49 15.163 21.779 1.815
432 HG3 MET 49 HG1 MET 49 14.895 23.524 1.812
433 HE1 MET 49 HE1 MET 49 15.540 23.507 -0.805
434 HE2 MET 49 HE2 MET 49 15.845 21.770 -0.727
435 HE3 MET 49 HE3 MET 49 17.054 22.851 -1.421
436 H ALA 50 HN ALA 50 16.026 21.072 6.052
437 HA ALA 50 HA ALA 50 17.231 22.807 7.969
438 HB1 ALA 50 HB1 ALA 50 16.030 21.547 9.677
439 HB2 ALA 50 HB2 ALA 50 15.661 20.271 8.513
440 HB3 ALA 50 HB3 ALA 50 14.969 21.880 8.307
441 H TYR 51 HN TYR 51 18.068 19.625 6.771
442 HA TYR 51 HA TYR 51 19.871 18.705 8.689
443 HB2 TYR 51 HB2 TYR 51 19.372 17.212 6.905
444 HB3 TYR 51 HB1 TYR 51 19.750 18.408 5.675
445 HD1 TYR 51 HD1 TYR 51 21.686 16.870 8.557
446 HD2 TYR 51 HD2 TYR 51 21.604 17.757 4.377
447 HE1 TYR 51 HE1 TYR 51 23.930 15.906 8.301
448 HE2 TYR 51 HE2 TYR 51 23.849 16.787 4.131
449 HH TYR 51 HH TYR 51 25.302 14.892 6.518
450 H GLU 52 HN GLU 52 20.415 21.028 6.032
451 HA GLU 52 HA GLU 52 23.157 21.546 6.973
452 HB2 GLU 52 HB2 GLU 52 21.810 22.455 4.394
453 HB3 GLU 52 HB1 GLU 52 23.515 22.645 4.807
454 HG2 GLU 52 HG2 GLU 52 23.646 20.117 4.938
455 HG3 GLU 52 HG1 GLU 52 22.024 20.067 4.251
456 H GLU 53 HN GLU 53 20.036 22.859 7.241
457 HA GLU 53 HA GLU 53 19.127 24.758 8.032
458 HB2 GLU 53 HB2 GLU 53 21.889 25.143 9.245
459 HB3 GLU 53 HB1 GLU 53 20.488 26.125 9.664
460 HG2 GLU 53 HG2 GLU 53 20.537 23.110 10.014
461 HG3 GLU 53 HG1 GLU 53 21.116 24.224 11.255
462 H LYS 54 HN LYS 54 19.223 25.178 5.576
463 HA LYS 54 HA LYS 54 20.507 27.807 5.091
464 HB2 LYS 54 HB2 LYS 54 20.151 25.474 3.217
465 HB3 LYS 54 HB1 LYS 54 20.044 27.091 2.541
466 HG2 LYS 54 HG2 LYS 54 22.288 26.477 2.229
467 HG3 LYS 54 HG1 LYS 54 22.308 27.579 3.609
468 HD2 LYS 54 HD2 LYS 54 22.074 25.157 4.894
469 HD3 LYS 54 HD1 LYS 54 22.969 24.665 3.458
470 HE2 LYS 54 HE2 LYS 54 24.548 25.167 5.217
471 HE3 LYS 54 HE1 LYS 54 24.672 26.452 4.012
472 HZ1 LYS 54 HZ1 LYS 54 24.635 27.351 6.241
473 HZ2 LYS 54 HZ2 LYS 54 23.168 26.585 6.571
474 HZ3 LYS 54 HZ3 LYS 54 23.235 27.823 5.420
475 H GLU 55 HN GLU 55 17.508 26.454 5.723
476 HA GLU 55 HA GLU 55 15.989 28.283 4.053
477 HB2 GLU 55 HB2 GLU 55 15.016 26.080 4.771
478 HB3 GLU 55 HB1 GLU 55 14.989 26.651 6.437
479 HG2 GLU 55 HG2 GLU 55 13.419 28.430 5.829
480 HG3 GLU 55 HG1 GLU 55 13.495 27.956 4.138
481 H GLU 56 HN GLU 56 16.940 30.231 4.543
482 HA GLU 56 HA GLU 56 16.485 31.388 7.234
483 HB2 GLU 56 HB2 GLU 56 18.889 31.162 6.723
484 HB3 GLU 56 HB1 GLU 56 18.673 32.010 5.196
485 HG2 GLU 56 HG2 GLU 56 18.125 34.079 6.389
486 HG3 GLU 56 HG1 GLU 56 18.232 33.237 7.931
487 H1 ALA 1 HT1 ALA 1 1.439 20.478 16.185
488 H2 ALA 1 HT2 ALA 1 2.680 21.409 16.853
489 H3 ALA 1 HT3 ALA 1 2.790 19.723 16.843
490 HA ALA 1 HA ALA 1 2.735 21.447 14.449
491 HB1 ALA 1 HB1 ALA 1 5.118 20.842 14.174
492 HB2 ALA 1 HB2 ALA 1 5.069 19.955 15.702
493 HB3 ALA 1 HB3 ALA 1 4.845 21.707 15.686
494 H ARG 2 HN ARG 2 2.699 20.361 12.493
495 HA ARG 2 HA ARG 2 2.247 17.440 12.482
496 HB2 ARG 2 HB2 ARG 2 1.578 19.649 10.506
497 HB3 ARG 2 HB1 ARG 2 1.669 17.987 9.958
498 HG2 ARG 2 HG2 ARG 2 -0.629 18.435 10.353
499 HG3 ARG 2 HG1 ARG 2 -0.093 17.391 11.666
500 HD2 ARG 2 HD2 ARG 2 0.073 19.368 13.149
501 HD3 ARG 2 HD1 ARG 2 -0.483 20.405 11.831
502 HE ARG 2 HE ARG 2 -2.071 18.626 13.482
503 HH11 ARG 2 HH11 ARG 2 -2.041 20.422 10.455
504 HH12 ARG 2 HH12 ARG 2 -3.768 20.474 10.328
505 HH21 ARG 2 HH21 ARG 2 -4.325 18.707 13.308
506 HH22 ARG 2 HH22 ARG 2 -5.064 19.494 11.953
507 H THR 3 HN THR 3 4.904 18.777 12.848
508 HA THR 3 HA THR 3 6.535 18.554 10.557
509 HB THR 3 HB THR 3 8.434 18.362 12.287
510 HG1 THR 3 HG1 THR 3 7.162 17.399 13.963
511 HG21 THR 3 HG21 THR 3 8.180 20.682 13.125
512 HG22 THR 3 HG22 THR 3 6.480 20.668 12.647
513 HG23 THR 3 HG23 THR 3 7.742 20.567 11.419
514 H LYS 4 HN LYS 4 6.247 16.704 9.442
515 HA LYS 4 HA LYS 4 7.113 14.154 10.596
516 HB2 LYS 4 HB2 LYS 4 4.607 14.266 10.766
517 HB3 LYS 4 HB1 LYS 4 4.514 14.480 9.019
518 HG2 LYS 4 HG2 LYS 4 5.603 12.236 8.742
519 HG3 LYS 4 HG1 LYS 4 5.566 12.039 10.501
520 HD2 LYS 4 HD2 LYS 4 3.084 12.233 10.442
521 HD3 LYS 4 HD1 LYS 4 3.145 12.370 8.679
522 HE2 LYS 4 HE2 LYS 4 4.153 10.102 8.563
523 HE3 LYS 4 HE1 LYS 4 4.053 9.977 10.325
524 HZ1 LYS 4 HZ1 LYS 4 1.774 10.287 8.457
525 HZ2 LYS 4 HZ2 LYS 4 1.656 10.209 10.140
526 HZ3 LYS 4 HZ3 LYS 4 2.209 8.869 9.273
527 H GLN 5 HN GLN 5 8.961 14.927 9.364
528 HA GLN 5 HA GLN 5 9.064 14.929 6.545
529 HB2 GLN 5 HB2 GLN 5 11.139 14.384 8.704
530 HB3 GLN 5 HB1 GLN 5 11.542 14.257 6.997
531 HG2 GLN 5 HG2 GLN 5 12.226 16.424 7.880
532 HG3 GLN 5 HG1 GLN 5 10.991 16.614 6.645
533 HE21 GLN 5 HE21 GLN 5 10.376 18.651 7.315
534 HE22 GLN 5 HE22 GLN 5 9.553 18.957 8.802
535 H THR 6 HN THR 6 8.608 13.304 5.229
536 HA THR 6 HA THR 6 8.785 10.501 6.141
537 HB THR 6 HB THR 6 6.646 11.588 4.263
538 HG1 THR 6 HG1 THR 6 6.773 12.217 6.740
539 HG21 THR 6 HG21 THR 6 5.449 9.496 4.815
540 HG22 THR 6 HG22 THR 6 6.788 8.989 5.850
541 HG23 THR 6 HG23 THR 6 7.027 9.142 4.107
542 H ALA 7 HN ALA 7 9.289 8.944 4.554
543 HA ALA 7 HA ALA 7 10.222 9.760 1.933
544 HB1 ALA 7 HB1 ALA 7 12.558 9.126 2.319
545 HB2 ALA 7 HB2 ALA 7 12.209 8.805 4.018
546 HB3 ALA 7 HB3 ALA 7 12.089 10.449 3.388
547 H ARG 8 HN ARG 8 10.493 8.014 0.534
548 HA ARG 8 HA ARG 8 9.477 5.395 1.334
549 HB2 ARG 8 HB2 ARG 8 10.432 6.509 -1.334
550 HB3 ARG 8 HB1 ARG 8 9.996 4.822 -1.130
551 HG2 ARG 8 HG2 ARG 8 8.174 5.944 -2.169
552 HG3 ARG 8 HG1 ARG 8 7.690 5.510 -0.533
553 HD2 ARG 8 HD2 ARG 8 7.643 7.739 0.179
554 HD3 ARG 8 HD1 ARG 8 8.747 8.272 -1.091
555 HE ARG 8 HE ARG 8 6.984 8.146 -2.670
556 HH11 ARG 8 HH11 ARG 8 5.779 7.731 0.600
557 HH12 ARG 8 HH12 ARG 8 4.165 8.182 0.181
558 HH21 ARG 8 HH21 ARG 8 4.899 8.699 -3.195
559 HH22 ARG 8 HH22 ARG 8 3.661 8.722 -1.983
560 H M3L 9 HN M3L 9 10.694 3.392 1.014
561 HA M3L 9 HA M3L 9 13.640 3.685 0.962
562 HB2 M3L 9 HB2 M3L 9 11.915 1.320 1.798
563 HB3 M3L 9 HB1 M3L 9 13.677 1.278 1.702
564 HG2 M3L 9 HG2 M3L 9 13.675 3.210 3.367
565 HG3 M3L 9 HG1 M3L 9 11.950 2.892 3.604
566 HD2 M3L 9 HD2 M3L 9 12.443 0.633 4.405
567 HD3 M3L 9 HD1 M3L 9 14.158 0.829 4.025
568 HE2 M3L 9 HE2 M3L 9 14.170 2.775 5.683
569 HE3 M3L 9 HE1 M3L 9 12.557 2.265 6.174
570 HM11 M3L 9 HH33 M3L 9 14.732 0.898 8.837
571 HM12 M3L 9 HH31 M3L 9 13.318 1.901 8.501
572 HM13 M3L 9 HH32 M3L 9 14.929 2.462 8.042
573 HM21 M3L 9 HH11 M3L 9 16.164 1.363 6.155
574 HM22 M3L 9 HH12 M3L 9 15.440 -0.007 5.304
575 HM23 M3L 9 HH13 M3L 9 15.982 -0.194 6.972
576 HM31 M3L 9 HH21 M3L 9 13.680 -1.024 7.609
577 HM32 M3L 9 HH22 M3L 9 13.125 -0.816 5.948
578 HM33 M3L 9 HH23 M3L 9 12.258 -0.032 7.271
579 H SER 10 HN SER 10 14.672 1.607 -0.085
580 HA SER 10 HA SER 10 14.272 1.531 -2.850
581 HB2 SER 10 HB2 SER 10 15.449 -0.702 -1.113
582 HB3 SER 10 HB1 SER 10 15.791 -0.400 -2.820
583 HG SER 10 HG SER 10 16.484 1.791 -1.913
584 H THR 11 HN THR 11 12.209 1.051 -3.626
585 HA THR 11 HA THR 11 10.361 -0.721 -2.439
586 HB THR 11 HB THR 11 10.391 0.197 -5.358
587 HG1 THR 11 HG1 THR 11 8.903 1.831 -4.384
588 HG21 THR 11 HG21 THR 11 8.098 -0.664 -3.547
589 HG22 THR 11 HG22 THR 11 8.750 -1.601 -4.895
590 HG23 THR 11 HG23 THR 11 7.934 -0.066 -5.198
591 H GLY 12 HN GLY 12 11.171 -2.739 -2.079
592 HA2 GLY 12 HA2 GLY 12 11.332 -4.999 -2.607
593 HA3 GLY 12 HA1 GLY 12 11.359 -4.607 -4.314
594 H GLY 13 HN GLY 13 13.619 -2.579 -3.259
595 HA2 GLY 13 HA2 GLY 13 15.915 -2.557 -3.092
596 HA3 GLY 13 HA1 GLY 13 15.889 -4.278 -2.720
597 H LYS 14 HN LYS 14 15.402 -2.008 -5.422
598 HA LYS 14 HA LYS 14 16.112 -4.035 -7.419
599 HB2 LYS 14 HB2 LYS 14 15.162 -1.159 -7.742
600 HB3 LYS 14 HB1 LYS 14 15.386 -2.307 -9.065
601 HG2 LYS 14 HG2 LYS 14 13.597 -3.723 -8.185
602 HG3 LYS 14 HG1 LYS 14 13.428 -2.677 -6.768
603 HD2 LYS 14 HD2 LYS 14 12.712 -0.817 -8.229
604 HD3 LYS 14 HD1 LYS 14 12.885 -1.853 -9.650
605 HE2 LYS 14 HE2 LYS 14 11.095 -3.323 -8.813
606 HE3 LYS 14 HE1 LYS 14 10.956 -2.350 -7.346
607 HZ1 LYS 14 HZ1 LYS 14 9.251 -1.753 -8.905
608 HZ2 LYS 14 HZ2 LYS 14 10.392 -1.445 -10.113
609 HZ3 LYS 14 HZ3 LYS 14 10.329 -0.462 -8.739
610 H ALA 15 HN ALA 15 17.410 -1.122 -5.940
611 HA ALA 15 HA ALA 15 20.004 -1.578 -7.276
612 HB1 ALA 15 HB1 ALA 15 18.906 0.259 -8.513
613 HB2 ALA 15 HB2 ALA 15 20.331 0.834 -7.644
614 HB3 ALA 15 HB3 ALA 15 18.718 1.169 -7.010
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 4.023 -2.447 -3.445
2 H2 GLY 1 HT2 GLY 1 2.410 -2.646 -2.975
3 H3 GLY 1 HT3 GLY 1 3.636 -2.651 -1.813
4 HA2 GLY 1 HA1 GLY 1 2.854 -0.339 -3.489
5 HA3 GLY 1 HA2 GLY 1 2.441 -0.560 -1.794
6 H GLU 2 HN GLU 2 3.507 1.542 -1.515
7 HA GLU 2 HA GLU 2 6.441 1.605 -1.815
8 HB2 GLU 2 HB2 GLU 2 5.062 3.461 -2.758
9 HB3 GLU 2 HB1 GLU 2 4.459 3.834 -1.147
10 HG2 GLU 2 HG2 GLU 2 6.194 5.412 -1.813
11 HG3 GLU 2 HG1 GLU 2 6.709 4.458 -0.427
12 H GLN 3 HN GLN 3 7.801 2.265 -0.086
13 HA GLN 3 HA GLN 3 6.794 1.757 2.657
14 HB2 GLN 3 HB2 GLN 3 9.638 1.611 1.557
15 HB3 GLN 3 HB1 GLN 3 9.154 1.232 3.211
16 HG2 GLN 3 HG2 GLN 3 7.887 -0.697 2.430
17 HG3 GLN 3 HG1 GLN 3 8.248 -0.301 0.747
18 HE21 GLN 3 HE21 GLN 3 10.388 -0.565 -0.015
19 HE22 GLN 3 HE22 GLN 3 11.509 -1.594 0.800
20 H VAL 4 HN VAL 4 6.069 3.956 3.066
21 HA VAL 4 HA VAL 4 8.295 5.882 3.433
22 HB VAL 4 HB VAL 4 6.618 7.650 3.836
23 HG11 VAL 4 HG11 VAL 4 5.821 7.908 1.511
24 HG12 VAL 4 HG12 VAL 4 6.212 6.216 1.186
25 HG13 VAL 4 HG13 VAL 4 7.499 7.362 1.576
26 HG21 VAL 4 HG21 VAL 4 4.736 6.329 4.708
27 HG22 VAL 4 HG22 VAL 4 4.492 5.584 3.126
28 HG23 VAL 4 HG23 VAL 4 4.214 7.317 3.340
29 H PHE 5 HN PHE 5 9.179 5.956 5.347
30 HA PHE 5 HA PHE 5 7.645 5.232 7.775
31 HB2 PHE 5 HB2 PHE 5 10.561 4.672 7.084
32 HB3 PHE 5 HB1 PHE 5 9.955 4.584 8.735
33 HD1 PHE 5 HD2 PHE 5 9.342 3.151 5.304
34 HD2 PHE 5 HD1 PHE 5 9.033 2.555 9.530
35 HE1 PHE 5 HE2 PHE 5 8.630 0.826 4.931
36 HE2 PHE 5 HE1 PHE 5 8.322 0.229 9.145
37 HZ PHE 5 HZ PHE 5 8.120 -0.636 6.848
38 H ALA 6 HN ALA 6 8.270 6.345 9.717
39 HA ALA 6 HA ALA 6 8.522 9.158 9.374
40 HB1 ALA 6 HB1 ALA 6 8.444 9.261 11.833
41 HB2 ALA 6 HB2 ALA 6 8.667 7.512 11.923
42 HB3 ALA 6 HB3 ALA 6 7.201 8.180 11.201
43 H VAL 7 HN VAL 7 10.298 10.369 9.285
44 HA VAL 7 HA VAL 7 12.943 9.095 9.490
45 HB VAL 7 HB VAL 7 13.779 10.878 8.078
46 HG11 VAL 7 HG11 VAL 7 12.403 10.642 6.030
47 HG12 VAL 7 HG12 VAL 7 11.090 9.955 6.991
48 HG13 VAL 7 HG13 VAL 7 12.626 9.097 6.853
49 HG21 VAL 7 HG21 VAL 7 12.308 12.747 7.278
50 HG22 VAL 7 HG22 VAL 7 12.638 12.805 9.008
51 HG23 VAL 7 HG23 VAL 7 11.077 12.223 8.430
52 H GLU 8 HN GLU 8 14.611 10.010 10.643
53 HA GLU 8 HA GLU 8 14.144 12.038 12.660
54 HB2 GLU 8 HB2 GLU 8 15.696 10.188 13.166
55 HB3 GLU 8 HB1 GLU 8 16.670 10.569 11.761
56 HG2 GLU 8 HG2 GLU 8 17.778 11.312 13.789
57 HG3 GLU 8 HG1 GLU 8 17.355 12.686 12.768
58 H SER 9 HN SER 9 16.753 11.840 10.239
59 HA SER 9 HA SER 9 16.078 14.225 8.793
60 HB2 SER 9 HB2 SER 9 18.512 14.270 10.649
61 HB3 SER 9 HB1 SER 9 18.180 15.477 9.403
62 HG SER 9 HG SER 9 16.014 15.370 10.850
63 H ILE 10 HN ILE 10 18.299 14.711 7.415
64 HA ILE 10 HA ILE 10 19.216 12.208 6.264
65 HB ILE 10 HB ILE 10 20.104 15.075 5.697
66 HG12 ILE 10 HG12 ILE 10 17.767 14.825 5.094
67 HG13 ILE 10 HG11 ILE 10 18.710 14.825 3.609
68 HG21 ILE 10 HG21 ILE 10 20.689 12.550 4.108
69 HG22 ILE 10 HG22 ILE 10 21.854 13.497 5.036
70 HG23 ILE 10 HG23 ILE 10 21.092 14.195 3.606
71 HD11 ILE 10 HD11 ILE 10 17.336 12.516 4.953
72 HD12 ILE 10 HD12 ILE 10 18.558 12.274 3.709
73 HD13 ILE 10 HD13 ILE 10 17.084 13.166 3.336
74 H ARG 11 HN ARG 11 20.705 11.063 7.263
75 HA ARG 11 HA ARG 11 22.437 11.919 9.332
76 HB2 ARG 11 HB2 ARG 11 21.523 9.481 8.517
77 HB3 ARG 11 HB1 ARG 11 23.106 9.426 7.769
78 HG2 ARG 11 HG2 ARG 11 22.535 9.775 10.739
79 HG3 ARG 11 HG1 ARG 11 23.074 8.289 9.951
80 HD2 ARG 11 HD2 ARG 11 25.199 9.437 9.324
81 HD3 ARG 11 HD1 ARG 11 24.651 10.880 10.192
82 HE ARG 11 HE ARG 11 24.530 8.670 11.934
83 HH11 ARG 11 HH11 ARG 11 26.957 10.682 10.391
84 HH12 ARG 11 HH12 ARG 11 28.151 10.367 11.606
85 HH21 ARG 11 HH21 ARG 11 26.108 8.282 13.508
86 HH22 ARG 11 HH22 ARG 11 27.676 9.007 13.357
87 H LYS 12 HN LYS 12 23.142 10.862 5.981
88 HA LYS 12 HA LYS 12 25.393 12.770 5.766
89 HB2 LYS 12 HB2 LYS 12 25.505 9.808 5.016
90 HB3 LYS 12 HB1 LYS 12 26.700 11.001 4.509
91 HG2 LYS 12 HG2 LYS 12 27.300 11.406 6.875
92 HG3 LYS 12 HG1 LYS 12 26.104 10.201 7.377
93 HD2 LYS 12 HD2 LYS 12 27.346 8.442 6.191
94 HD3 LYS 12 HD1 LYS 12 28.509 9.634 5.595
95 HE2 LYS 12 HE2 LYS 12 28.053 8.940 8.517
96 HE3 LYS 12 HE1 LYS 12 29.385 8.352 7.521
97 HZ1 LYS 12 HZ1 LYS 12 30.079 10.200 8.874
98 HZ2 LYS 12 HZ2 LYS 12 28.857 11.183 8.246
99 HZ3 LYS 12 HZ3 LYS 12 30.117 10.655 7.247
100 H LYS 13 HN LYS 13 26.071 13.004 3.425
101 HA LYS 13 HA LYS 13 23.951 12.621 1.466
102 HB2 LYS 13 HB2 LYS 13 23.217 14.722 2.523
103 HB3 LYS 13 HB1 LYS 13 24.832 15.408 2.368
104 HG2 LYS 13 HG2 LYS 13 24.564 15.276 -0.146
105 HG3 LYS 13 HG1 LYS 13 22.891 14.766 0.113
106 HD2 LYS 13 HD2 LYS 13 22.399 16.911 1.231
107 HD3 LYS 13 HD1 LYS 13 24.086 17.413 1.045
108 HE2 LYS 13 HE2 LYS 13 23.823 17.321 -1.424
109 HE3 LYS 13 HE1 LYS 13 22.136 16.846 -1.223
110 HZ1 LYS 13 HZ1 LYS 13 21.736 18.956 -0.111
111 HZ2 LYS 13 HZ2 LYS 13 22.335 19.188 -1.677
112 HZ3 LYS 13 HZ3 LYS 13 23.347 19.404 -0.341
113 H ARG 14 HN ARG 14 24.711 12.630 -0.562
114 HA ARG 14 HA ARG 14 27.233 13.680 -1.419
115 HB2 ARG 14 HB2 ARG 14 28.134 11.381 -2.109
116 HB3 ARG 14 HB1 ARG 14 28.192 11.737 -0.384
117 HG2 ARG 14 HG2 ARG 14 26.207 10.368 0.017
118 HG3 ARG 14 HG1 ARG 14 26.035 10.055 -1.718
119 HD2 ARG 14 HD2 ARG 14 28.473 9.265 -0.082
120 HD3 ARG 14 HD1 ARG 14 27.099 8.199 -0.379
121 HE ARG 14 HE ARG 14 27.573 8.423 -2.787
122 HH11 ARG 14 HH11 ARG 14 30.221 9.035 -0.550
123 HH12 ARG 14 HH12 ARG 14 31.442 8.639 -1.718
124 HH21 ARG 14 HH21 ARG 14 29.167 7.968 -4.302
125 HH22 ARG 14 HH22 ARG 14 30.840 8.034 -3.852
126 H VAL 15 HN VAL 15 27.610 12.563 -3.786
127 HA VAL 15 HA VAL 15 24.984 12.154 -5.117
128 HB VAL 15 HB VAL 15 27.324 13.630 -6.418
129 HG11 VAL 15 HG11 VAL 15 24.437 13.299 -7.329
130 HG12 VAL 15 HG12 VAL 15 25.846 12.499 -8.030
131 HG13 VAL 15 HG13 VAL 15 25.669 14.251 -8.162
132 HG21 VAL 15 HG21 VAL 15 24.823 14.865 -5.204
133 HG22 VAL 15 HG22 VAL 15 26.024 15.729 -6.167
134 HG23 VAL 15 HG23 VAL 15 26.474 15.050 -4.601
135 H ARG 16 HN ARG 16 24.982 10.568 -6.725
136 HA ARG 16 HA ARG 16 27.462 9.246 -7.523
137 HB2 ARG 16 HB2 ARG 16 26.515 8.091 -5.426
138 HB3 ARG 16 HB1 ARG 16 25.131 7.625 -6.402
139 HG2 ARG 16 HG2 ARG 16 26.620 5.765 -6.330
140 HG3 ARG 16 HG1 ARG 16 26.720 6.439 -7.958
141 HD2 ARG 16 HD2 ARG 16 28.800 7.626 -7.311
142 HD3 ARG 16 HD1 ARG 16 28.709 6.900 -5.703
143 HE ARG 16 HE ARG 16 29.140 5.420 -8.230
144 HH11 ARG 16 HH11 ARG 16 29.529 5.580 -4.737
145 HH12 ARG 16 HH12 ARG 16 30.654 4.265 -4.684
146 HH21 ARG 16 HH21 ARG 16 30.575 3.690 -8.144
147 HH22 ARG 16 HH22 ARG 16 31.244 3.185 -6.628
148 H LYS 17 HN LYS 17 27.327 9.269 -9.676
149 HA LYS 17 HA LYS 17 26.681 8.931 -11.820
150 HB2 LYS 17 HB2 LYS 17 25.863 6.727 -10.710
151 HB3 LYS 17 HB1 LYS 17 24.251 7.419 -10.782
152 HG2 LYS 17 HG2 LYS 17 24.460 7.545 -13.281
153 HG3 LYS 17 HG1 LYS 17 26.039 6.757 -13.159
154 HD2 LYS 17 HD2 LYS 17 23.371 5.567 -12.280
155 HD3 LYS 17 HD1 LYS 17 24.267 5.130 -13.737
156 HE2 LYS 17 HE2 LYS 17 26.079 4.203 -12.404
157 HE3 LYS 17 HE1 LYS 17 25.337 4.781 -10.912
158 HZ1 LYS 17 HZ1 LYS 17 23.480 3.305 -11.306
159 HZ2 LYS 17 HZ2 LYS 17 24.938 2.450 -11.243
160 HZ3 LYS 17 HZ3 LYS 17 24.192 2.738 -12.729
161 H GLY 18 HN GLY 18 25.803 11.262 -10.328
162 HA2 GLY 18 HA2 GLY 18 24.697 13.217 -10.936
163 HA3 GLY 18 HA1 GLY 18 23.760 12.331 -12.126
164 H LYS 19 HN LYS 19 23.307 10.411 -9.615
165 HA LYS 19 HA LYS 19 20.859 11.772 -8.701
166 HB2 LYS 19 HB2 LYS 19 21.747 8.857 -8.633
167 HB3 LYS 19 HB1 LYS 19 20.371 9.439 -7.689
168 HG2 LYS 19 HG2 LYS 19 20.627 9.667 -10.706
169 HG3 LYS 19 HG1 LYS 19 19.717 8.422 -9.857
170 HD2 LYS 19 HD2 LYS 19 17.899 9.773 -9.683
171 HD3 LYS 19 HD1 LYS 19 18.838 11.034 -8.895
172 HE2 LYS 19 HE2 LYS 19 18.634 10.664 -11.910
173 HE3 LYS 19 HE1 LYS 19 17.696 11.820 -10.963
174 HZ1 LYS 19 HZ1 LYS 19 20.646 11.788 -11.294
175 HZ2 LYS 19 HZ2 LYS 19 19.806 12.851 -10.282
176 HZ3 LYS 19 HZ3 LYS 19 19.560 12.907 -11.953
177 H VAL 20 HN VAL 20 21.040 12.902 -6.957
178 HA VAL 20 HA VAL 20 23.231 12.774 -5.149
179 HB VAL 20 HB VAL 20 20.594 14.255 -4.766
180 HG11 VAL 20 HG11 VAL 20 21.935 15.844 -3.405
181 HG12 VAL 20 HG12 VAL 20 23.353 14.812 -3.610
182 HG13 VAL 20 HG13 VAL 20 21.948 14.214 -2.722
183 HG21 VAL 20 HG21 VAL 20 23.076 15.234 -6.226
184 HG22 VAL 20 HG22 VAL 20 21.653 16.208 -5.849
185 HG23 VAL 20 HG23 VAL 20 21.516 14.847 -6.962
186 H GLU 21 HN GLU 21 23.427 11.408 -3.463
187 HA GLU 21 HA GLU 21 21.174 9.746 -2.594
188 HB2 GLU 21 HB2 GLU 21 24.140 9.542 -1.925
189 HB3 GLU 21 HB1 GLU 21 22.893 8.395 -1.423
190 HG2 GLU 21 HG2 GLU 21 22.500 7.833 -3.802
191 HG3 GLU 21 HG1 GLU 21 23.807 8.928 -4.269
192 H TYR 22 HN TYR 22 20.444 9.703 -0.558
193 HA TYR 22 HA TYR 22 21.586 11.515 1.474
194 HB2 TYR 22 HB2 TYR 22 18.628 11.091 0.811
195 HB3 TYR 22 HB1 TYR 22 19.239 12.022 2.166
196 HD1 TYR 22 HD1 TYR 22 20.315 14.214 1.811
197 HD2 TYR 22 HD2 TYR 22 18.675 12.023 -1.465
198 HE1 TYR 22 HE1 TYR 22 20.405 16.221 0.417
199 HE2 TYR 22 HE2 TYR 22 18.777 14.038 -2.859
200 HH TYR 22 HH TYR 22 18.829 16.448 -2.607
201 H LEU 23 HN LEU 23 22.453 9.998 2.841
202 HA LEU 23 HA LEU 23 21.264 7.522 3.570
203 HB2 LEU 23 HB2 LEU 23 23.676 8.126 3.948
204 HB3 LEU 23 HB1 LEU 23 23.176 9.262 5.181
205 HG LEU 23 HG LEU 23 22.274 7.352 6.535
206 HD11 LEU 23 HD11 LEU 23 22.868 5.053 5.951
207 HD12 LEU 23 HD12 LEU 23 23.547 5.599 4.417
208 HD13 LEU 23 HD13 LEU 23 21.817 5.766 4.729
209 HD21 LEU 23 HD21 LEU 23 24.459 6.470 7.258
210 HD22 LEU 23 HD22 LEU 23 24.526 8.212 6.995
211 HD23 LEU 23 HD23 LEU 23 25.211 7.113 5.794
212 H VAL 24 HN VAL 24 19.052 8.060 3.886
213 HA VAL 24 HA VAL 24 18.171 10.094 5.664
214 HB VAL 24 HB VAL 24 16.577 7.698 4.629
215 HG11 VAL 24 HG11 VAL 24 15.483 8.769 6.565
216 HG12 VAL 24 HG12 VAL 24 14.571 9.092 5.091
217 HG13 VAL 24 HG13 VAL 24 15.600 10.349 5.782
218 HG21 VAL 24 HG21 VAL 24 16.813 10.488 3.435
219 HG22 VAL 24 HG22 VAL 24 15.747 9.205 2.855
220 HG23 VAL 24 HG23 VAL 24 17.498 9.008 2.754
221 H LYS 25 HN LYS 25 18.652 9.952 7.768
222 HA LYS 25 HA LYS 25 18.687 7.480 9.271
223 HB2 LYS 25 HB2 LYS 25 20.173 9.381 9.901
224 HB3 LYS 25 HB1 LYS 25 18.770 10.396 10.208
225 HG2 LYS 25 HG2 LYS 25 19.792 9.557 12.290
226 HG3 LYS 25 HG1 LYS 25 18.124 9.001 12.104
227 HD2 LYS 25 HD2 LYS 25 18.926 6.784 11.370
228 HD3 LYS 25 HD1 LYS 25 20.602 7.337 11.456
229 HE2 LYS 25 HE2 LYS 25 19.992 5.983 13.426
230 HE3 LYS 25 HE1 LYS 25 20.399 7.634 13.887
231 HZ1 LYS 25 HZ1 LYS 25 18.439 6.805 15.041
232 HZ2 LYS 25 HZ2 LYS 25 17.636 6.580 13.573
233 HZ3 LYS 25 HZ3 LYS 25 18.059 8.138 14.076
234 H TRP 26 HN TRP 26 16.908 6.561 10.121
235 HA TRP 26 HA TRP 26 14.315 7.962 10.040
236 HB2 TRP 26 HB2 TRP 26 14.852 4.993 10.519
237 HB3 TRP 26 HB1 TRP 26 13.326 5.739 10.049
238 HD1 TRP 26 HD1 TRP 26 16.684 4.582 8.601
239 HE1 TRP 26 HE1 TRP 26 16.563 4.575 6.033
240 HE3 TRP 26 HE3 TRP 26 12.115 6.804 7.971
241 HZ2 TRP 26 HZ2 TRP 26 14.805 5.395 4.012
242 HZ3 TRP 26 HZ3 TRP 26 11.285 7.145 5.675
243 HH2 TRP 26 HH2 TRP 26 12.601 6.454 3.733
244 H LYS 27 HN LYS 27 13.088 8.254 11.969
245 HA LYS 27 HA LYS 27 14.742 8.808 14.201
246 HB2 LYS 27 HB2 LYS 27 12.587 9.582 15.333
247 HB3 LYS 27 HB1 LYS 27 13.075 10.397 13.864
248 HG2 LYS 27 HG2 LYS 27 10.709 10.137 13.797
249 HG3 LYS 27 HG1 LYS 27 11.401 9.058 12.592
250 HD2 LYS 27 HD2 LYS 27 9.570 7.963 13.737
251 HD3 LYS 27 HD1 LYS 27 11.066 7.145 14.134
252 HE2 LYS 27 HE2 LYS 27 9.688 7.345 16.130
253 HE3 LYS 27 HE1 LYS 27 11.119 8.364 16.304
254 HZ1 LYS 27 HZ1 LYS 27 8.396 9.273 15.562
255 HZ2 LYS 27 HZ2 LYS 27 9.756 10.271 15.645
256 HZ3 LYS 27 HZ3 LYS 27 9.168 9.523 17.045
257 H GLY 28 HN GLY 28 12.661 6.120 13.551
258 HA2 GLY 28 HA2 GLY 28 12.717 5.181 16.349
259 HA3 GLY 28 HA1 GLY 28 11.692 4.575 15.059
260 H TRP 29 HN TRP 29 14.777 4.936 13.857
261 HA TRP 29 HA TRP 29 15.426 2.076 14.284
262 HB2 TRP 29 HB2 TRP 29 15.618 3.670 11.688
263 HB3 TRP 29 HB1 TRP 29 16.149 2.005 11.897
264 HD1 TRP 29 HD1 TRP 29 12.843 4.073 11.936
265 HE1 TRP 29 HE1 TRP 29 10.930 2.534 11.192
266 HE3 TRP 29 HE3 TRP 29 15.418 -0.331 11.556
267 HZ2 TRP 29 HZ2 TRP 29 10.545 -0.172 10.528
268 HZ3 TRP 29 HZ3 TRP 29 14.206 -2.348 10.842
269 HH2 TRP 29 HH2 TRP 29 11.813 -2.270 10.337
270 HA PRO 30 HA PRO 30 19.497 3.740 15.463
271 HB2 PRO 30 HB2 PRO 30 20.890 1.324 15.200
272 HB3 PRO 30 HB1 PRO 30 19.958 1.800 16.626
273 HG2 PRO 30 HG2 PRO 30 19.161 0.018 14.347
274 HG3 PRO 30 HG1 PRO 30 18.880 -0.193 16.088
275 HD2 PRO 30 HD2 PRO 30 16.930 0.687 14.451
276 HD3 PRO 30 HD1 PRO 30 17.085 1.307 16.110
277 HA PRO 31 HA PRO 31 21.610 4.870 11.716
278 HB2 PRO 31 HB2 PRO 31 24.263 3.935 12.793
279 HB3 PRO 31 HB1 PRO 31 23.786 5.535 12.199
280 HG2 PRO 31 HG2 PRO 31 24.055 5.105 14.817
281 HG3 PRO 31 HG1 PRO 31 22.720 6.107 14.207
282 HD2 PRO 31 HD2 PRO 31 22.662 3.232 15.137
283 HD3 PRO 31 HD1 PRO 31 21.512 4.547 15.469
284 H LYS 32 HN LYS 32 22.271 1.605 12.808
285 HA LYS 32 HA LYS 32 23.454 0.568 10.437
286 HB2 LYS 32 HB2 LYS 32 22.855 -1.666 11.376
287 HB3 LYS 32 HB1 LYS 32 23.675 -0.622 12.535
288 HG2 LYS 32 HG2 LYS 32 21.551 -0.113 13.632
289 HG3 LYS 32 HG1 LYS 32 20.674 -1.064 12.432
290 HD2 LYS 32 HD2 LYS 32 22.762 -2.248 14.316
291 HD3 LYS 32 HD1 LYS 32 21.038 -2.190 14.681
292 HE2 LYS 32 HE2 LYS 32 21.416 -4.366 13.836
293 HE3 LYS 32 HE1 LYS 32 20.677 -3.492 12.501
294 HZ1 LYS 32 HZ1 LYS 32 23.580 -4.010 12.815
295 HZ2 LYS 32 HZ2 LYS 32 22.846 -3.237 11.506
296 HZ3 LYS 32 HZ3 LYS 32 22.539 -4.867 11.807
297 H TYR 33 HN TYR 33 20.226 1.559 10.994
298 HA TYR 33 HA TYR 33 19.212 0.040 8.655
299 HB2 TYR 33 HB2 TYR 33 17.682 1.230 11.000
300 HB3 TYR 33 HB1 TYR 33 16.918 0.532 9.578
301 HD1 TYR 33 HD1 TYR 33 17.505 -1.969 9.029
302 HD2 TYR 33 HD2 TYR 33 18.162 -0.165 12.833
303 HE1 TYR 33 HE1 TYR 33 17.544 -4.189 10.076
304 HE2 TYR 33 HE2 TYR 33 18.204 -2.383 13.886
305 HH TYR 33 HH TYR 33 17.393 -4.646 13.456
306 H SER 34 HN SER 34 20.365 3.087 9.424
307 HA SER 34 HA SER 34 18.581 4.702 7.871
308 HB2 SER 34 HB2 SER 34 20.426 6.368 7.821
309 HB3 SER 34 HB1 SER 34 20.158 5.755 9.452
310 HG SER 34 HG SER 34 22.044 4.391 7.941
311 H THR 35 HN THR 35 18.501 4.994 5.670
312 HA THR 35 HA THR 35 20.199 3.178 4.035
313 HB THR 35 HB THR 35 18.100 2.992 2.562
314 HG1 THR 35 HG1 THR 35 16.350 4.004 3.165
315 HG21 THR 35 HG21 THR 35 16.986 1.308 3.976
316 HG22 THR 35 HG22 THR 35 17.854 1.906 5.392
317 HG23 THR 35 HG23 THR 35 18.740 1.137 4.070
318 H TRP 36 HN TRP 36 21.063 3.954 2.146
319 HA TRP 36 HA TRP 36 21.124 6.774 1.594
320 HB2 TRP 36 HB2 TRP 36 22.223 4.447 -0.060
321 HB3 TRP 36 HB1 TRP 36 22.548 6.146 -0.376
322 HD1 TRP 36 HD1 TRP 36 23.635 3.254 1.839
323 HE1 TRP 36 HE1 TRP 36 25.703 3.958 3.191
324 HE3 TRP 36 HE3 TRP 36 23.657 8.265 0.755
325 HZ2 TRP 36 HZ2 TRP 36 27.153 6.313 3.741
326 HZ3 TRP 36 HZ3 TRP 36 25.419 9.676 1.749
327 HH2 TRP 36 HH2 TRP 36 27.131 8.719 3.214
328 H GLU 37 HN GLU 37 18.913 7.211 1.254
329 HA GLU 37 HA GLU 37 17.618 6.128 -1.137
330 HB2 GLU 37 HB2 GLU 37 16.543 7.910 1.081
331 HB3 GLU 37 HB1 GLU 37 15.587 7.291 -0.267
332 HG2 GLU 37 HG2 GLU 37 16.860 5.691 1.985
333 HG3 GLU 37 HG1 GLU 37 15.140 5.968 1.723
334 HA PRO 38 HA PRO 38 19.325 9.743 -3.191
335 HB2 PRO 38 HB2 PRO 38 18.249 9.320 -5.694
336 HB3 PRO 38 HB1 PRO 38 19.643 8.433 -5.064
337 HG2 PRO 38 HG2 PRO 38 16.744 7.605 -5.128
338 HG3 PRO 38 HG1 PRO 38 18.182 6.652 -5.548
339 HD2 PRO 38 HD2 PRO 38 16.944 6.388 -3.155
340 HD3 PRO 38 HD1 PRO 38 18.710 6.228 -3.313
341 H GLU 39 HN GLU 39 18.502 11.447 -4.721
342 HA GLU 39 HA GLU 39 16.868 13.221 -3.430
343 HB2 GLU 39 HB2 GLU 39 16.898 14.491 -5.638
344 HB3 GLU 39 HB1 GLU 39 18.472 13.993 -5.027
345 HG2 GLU 39 HG2 GLU 39 18.576 12.144 -6.607
346 HG3 GLU 39 HG1 GLU 39 16.926 12.455 -7.142
347 H GLU 40 HN GLU 40 15.935 10.924 -5.918
348 HA GLU 40 HA GLU 40 13.398 11.882 -6.649
349 HB2 GLU 40 HB2 GLU 40 13.008 9.542 -7.487
350 HB3 GLU 40 HB1 GLU 40 14.546 10.224 -8.009
351 HG2 GLU 40 HG2 GLU 40 15.756 8.936 -6.355
352 HG3 GLU 40 HG1 GLU 40 14.258 8.358 -5.636
353 H HIS 41 HN HIS 41 14.388 9.915 -3.898
354 HA HIS 41 HA HIS 41 11.696 8.979 -3.277
355 HB2 HIS 41 HB2 HIS 41 14.395 8.530 -1.937
356 HB3 HIS 41 HB1 HIS 41 12.887 7.878 -1.298
357 HD1 HIS 41 HD1 HIS 41 15.086 5.965 -2.102
358 HD2 HIS 41 HD2 HIS 41 12.058 7.155 -4.674
359 HE1 HIS 41 HE1 HIS 41 14.939 4.160 -3.841
360 HE2 HIS 41 HE2 HIS 41 12.942 4.797 -5.229
361 H ILE 42 HN ILE 42 13.760 11.590 -2.309
362 HA ILE 42 HA ILE 42 12.559 12.121 0.245
363 HB ILE 42 HB ILE 42 14.033 14.118 -1.531
364 HG12 ILE 42 HG12 ILE 42 15.465 12.124 -1.282
365 HG13 ILE 42 HG11 ILE 42 16.134 13.475 -0.381
366 HG21 ILE 42 HG21 ILE 42 13.691 14.026 1.488
367 HG22 ILE 42 HG22 ILE 42 12.837 15.104 0.380
368 HG23 ILE 42 HG23 ILE 42 14.581 15.245 0.577
369 HD11 ILE 42 HD11 ILE 42 15.301 12.491 1.705
370 HD12 ILE 42 HD12 ILE 42 16.371 11.398 0.832
371 HD13 ILE 42 HD13 ILE 42 14.629 11.133 0.796
372 H LEU 43 HN LEU 43 10.401 12.697 0.394
373 HA LEU 43 HA LEU 43 9.165 14.048 -1.933
374 HB2 LEU 43 HB2 LEU 43 7.005 13.189 -1.101
375 HB3 LEU 43 HB1 LEU 43 8.171 11.935 -1.461
376 HG LEU 43 HG LEU 43 8.621 11.972 1.155
377 HD11 LEU 43 HD11 LEU 43 5.860 13.200 1.014
378 HD12 LEU 43 HD12 LEU 43 7.311 13.878 1.767
379 HD13 LEU 43 HD13 LEU 43 6.557 12.442 2.445
380 HD21 LEU 43 HD21 LEU 43 7.729 10.038 -0.075
381 HD22 LEU 43 HD22 LEU 43 6.101 10.711 0.027
382 HD23 LEU 43 HD23 LEU 43 6.949 10.221 1.496
383 H ASP 44 HN ASP 44 9.820 14.491 1.469
384 HA ASP 44 HA ASP 44 8.623 17.197 1.352
385 HB2 ASP 44 HB2 ASP 44 9.633 15.547 3.700
386 HB3 ASP 44 HB1 ASP 44 9.249 17.258 3.848
387 HA PRO 45 HA PRO 45 12.904 18.571 0.497
388 HB2 PRO 45 HB2 PRO 45 12.386 21.278 0.518
389 HB3 PRO 45 HB1 PRO 45 12.045 20.241 -0.875
390 HG2 PRO 45 HG2 PRO 45 10.160 21.185 1.293
391 HG3 PRO 45 HG1 PRO 45 9.908 21.153 -0.466
392 HD2 PRO 45 HD2 PRO 45 8.875 19.240 1.130
393 HD3 PRO 45 HD1 PRO 45 9.492 18.841 -0.495
394 H ARG 46 HN ARG 46 10.844 19.345 3.155
395 HA ARG 46 HA ARG 46 12.519 20.785 4.894
396 HB2 ARG 46 HB2 ARG 46 10.276 18.819 5.530
397 HB3 ARG 46 HB1 ARG 46 10.979 19.959 6.683
398 HG2 ARG 46 HG2 ARG 46 10.193 21.848 5.291
399 HG3 ARG 46 HG1 ARG 46 9.486 20.707 4.142
400 HD2 ARG 46 HD2 ARG 46 7.901 19.928 5.801
401 HD3 ARG 46 HD1 ARG 46 8.687 20.877 7.070
402 HE ARG 46 HE ARG 46 7.248 22.045 4.753
403 HH11 ARG 46 HH11 ARG 46 8.139 22.174 8.150
404 HH12 ARG 46 HH12 ARG 46 7.310 23.670 8.433
405 HH21 ARG 46 HH21 ARG 46 6.192 24.019 5.131
406 HH22 ARG 46 HH22 ARG 46 6.217 24.715 6.716
407 H LEU 47 HN LEU 47 12.587 17.447 3.986
408 HA LEU 47 HA LEU 47 13.927 16.403 6.286
409 HB2 LEU 47 HB2 LEU 47 12.608 14.984 4.813
410 HB3 LEU 47 HB1 LEU 47 13.651 15.354 3.450
411 HG LEU 47 HG LEU 47 15.460 14.049 4.370
412 HD11 LEU 47 HD11 LEU 47 15.268 12.824 6.521
413 HD12 LEU 47 HD12 LEU 47 13.804 13.741 6.880
414 HD13 LEU 47 HD13 LEU 47 15.348 14.573 6.714
415 HD21 LEU 47 HD21 LEU 47 12.865 12.515 4.690
416 HD22 LEU 47 HD22 LEU 47 14.465 11.811 4.433
417 HD23 LEU 47 HD23 LEU 47 13.723 12.793 3.171
418 H VAL 48 HN VAL 48 15.049 17.454 3.086
419 HA VAL 48 HA VAL 48 17.859 17.056 3.649
420 HB VAL 48 HB VAL 48 16.494 18.535 1.356
421 HG11 VAL 48 HG11 VAL 48 18.826 19.278 1.575
422 HG12 VAL 48 HG12 VAL 48 18.650 18.266 0.139
423 HG13 VAL 48 HG13 VAL 48 19.381 17.601 1.602
424 HG21 VAL 48 HG21 VAL 48 15.859 16.154 1.463
425 HG22 VAL 48 HG22 VAL 48 17.562 15.689 1.464
426 HG23 VAL 48 HG23 VAL 48 16.864 16.478 0.047
427 H MET 49 HN MET 49 15.598 19.743 3.604
428 HA MET 49 HA MET 49 17.473 21.848 3.874
429 HB2 MET 49 HB2 MET 49 14.473 21.680 4.271
430 HB3 MET 49 HB1 MET 49 15.351 23.152 4.699
431 HG2 MET 49 HG2 MET 49 15.307 21.880 1.952
432 HG3 MET 49 HG1 MET 49 14.364 23.285 2.458
433 HE1 MET 49 HE1 MET 49 15.310 24.770 0.433
434 HE2 MET 49 HE2 MET 49 16.211 23.365 -0.143
435 HE3 MET 49 HE3 MET 49 17.029 24.913 0.064
436 H ALA 50 HN ALA 50 15.588 19.993 6.304
437 HA ALA 50 HA ALA 50 16.324 21.461 8.603
438 HB1 ALA 50 HB1 ALA 50 15.741 18.488 8.415
439 HB2 ALA 50 HB2 ALA 50 14.539 19.760 8.620
440 HB3 ALA 50 HB3 ALA 50 15.717 19.455 9.897
441 H TYR 51 HN TYR 51 18.013 19.020 6.782
442 HA TYR 51 HA TYR 51 20.136 18.454 8.602
443 HB2 TYR 51 HB2 TYR 51 19.575 16.811 6.958
444 HB3 TYR 51 HB1 TYR 51 19.653 17.976 5.649
445 HD1 TYR 51 HD1 TYR 51 22.038 16.712 8.310
446 HD2 TYR 51 HD2 TYR 51 21.416 17.617 4.183
447 HE1 TYR 51 HE1 TYR 51 24.311 15.932 7.790
448 HE2 TYR 51 HE2 TYR 51 23.684 16.849 3.666
449 HH TYR 51 HH TYR 51 25.832 16.521 4.810
450 H GLU 52 HN GLU 52 19.916 20.498 5.644
451 HA GLU 52 HA GLU 52 22.649 21.475 6.033
452 HB2 GLU 52 HB2 GLU 52 20.658 22.050 3.788
453 HB3 GLU 52 HB1 GLU 52 22.353 22.545 3.815
454 HG2 GLU 52 HG2 GLU 52 23.006 20.135 3.932
455 HG3 GLU 52 HG1 GLU 52 21.307 19.695 3.752
456 H GLU 53 HN GLU 53 19.442 22.989 5.544
457 HA GLU 53 HA GLU 53 18.446 24.875 6.271
458 HB2 GLU 53 HB2 GLU 53 20.482 24.567 8.504
459 HB3 GLU 53 HB1 GLU 53 19.347 25.912 8.489
460 HG2 GLU 53 HG2 GLU 53 18.486 23.006 8.421
461 HG3 GLU 53 HG1 GLU 53 18.704 23.918 9.915
462 H LYS 54 HN LYS 54 20.930 24.949 4.476
463 HA LYS 54 HA LYS 54 22.150 27.509 4.990
464 HB2 LYS 54 HB2 LYS 54 23.358 27.199 2.880
465 HB3 LYS 54 HB1 LYS 54 23.467 25.760 3.881
466 HG2 LYS 54 HG2 LYS 54 21.861 24.590 2.461
467 HG3 LYS 54 HG1 LYS 54 21.589 26.059 1.510
468 HD2 LYS 54 HD2 LYS 54 24.012 26.016 0.849
469 HD3 LYS 54 HD1 LYS 54 24.188 24.478 1.704
470 HE2 LYS 54 HE2 LYS 54 22.354 24.985 -0.669
471 HE3 LYS 54 HE1 LYS 54 23.917 24.168 -0.736
472 HZ1 LYS 54 HZ1 LYS 54 21.552 23.225 0.793
473 HZ2 LYS 54 HZ2 LYS 54 23.038 22.428 0.664
474 HZ3 LYS 54 HZ3 LYS 54 22.064 22.621 -0.699
475 H GLU 55 HN GLU 55 21.560 29.437 4.243
476 HA GLU 55 HA GLU 55 19.099 29.748 2.668
477 HB2 GLU 55 HB2 GLU 55 20.702 31.757 4.314
478 HB3 GLU 55 HB1 GLU 55 19.164 32.091 3.515
479 HG2 GLU 55 HG2 GLU 55 18.034 30.454 4.956
480 HG3 GLU 55 HG1 GLU 55 19.572 30.039 5.721
481 H GLU 56 HN GLU 56 22.026 29.175 1.782
482 HA GLU 56 HA GLU 56 22.809 31.261 0.012
483 HB2 GLU 56 HB2 GLU 56 24.384 29.522 0.868
484 HB3 GLU 56 HB1 GLU 56 23.492 28.281 -0.003
485 HG2 GLU 56 HG2 GLU 56 24.098 29.479 -2.151
486 HG3 GLU 56 HG1 GLU 56 25.129 30.542 -1.192
487 H1 ALA 1 HT1 ALA 1 1.235 23.186 9.443
488 H2 ALA 1 HT2 ALA 1 1.256 21.656 10.155
489 H3 ALA 1 HT3 ALA 1 0.582 22.964 10.987
490 HA ALA 1 HA ALA 1 -1.142 21.535 10.103
491 HB1 ALA 1 HB1 ALA 1 -1.615 23.933 10.320
492 HB2 ALA 1 HB2 ALA 1 -2.436 23.273 8.906
493 HB3 ALA 1 HB3 ALA 1 -0.967 24.231 8.703
494 H ARG 2 HN ARG 2 -0.960 19.794 8.827
495 HA ARG 2 HA ARG 2 -0.528 18.338 7.167
496 HB2 ARG 2 HB2 ARG 2 -1.179 20.713 5.373
497 HB3 ARG 2 HB1 ARG 2 -0.989 19.062 4.789
498 HG2 ARG 2 HG2 ARG 2 -3.138 20.101 6.669
499 HG3 ARG 2 HG1 ARG 2 -3.352 19.544 5.004
500 HD2 ARG 2 HD2 ARG 2 -2.625 17.873 7.438
501 HD3 ARG 2 HD1 ARG 2 -4.121 17.804 6.509
502 HE ARG 2 HE ARG 2 -2.295 17.156 4.644
503 HH11 ARG 2 HH11 ARG 2 -2.765 15.896 7.892
504 HH12 ARG 2 HH12 ARG 2 -2.129 14.333 7.503
505 HH21 ARG 2 HH21 ARG 2 -1.455 15.116 4.152
506 HH22 ARG 2 HH22 ARG 2 -1.385 13.892 5.376
507 H THR 3 HN THR 3 1.641 20.150 8.185
508 HA THR 3 HA THR 3 3.671 19.977 6.056
509 HB THR 3 HB THR 3 5.046 21.365 7.682
510 HG1 THR 3 HG1 THR 3 4.135 20.969 9.657
511 HG21 THR 3 HG21 THR 3 3.803 23.482 7.329
512 HG22 THR 3 HG22 THR 3 2.357 22.558 6.920
513 HG23 THR 3 HG23 THR 3 3.777 22.479 5.874
514 H LYS 4 HN LYS 4 5.331 18.479 6.231
515 HA LYS 4 HA LYS 4 5.695 16.891 8.649
516 HB2 LYS 4 HB2 LYS 4 5.167 14.730 7.451
517 HB3 LYS 4 HB1 LYS 4 3.767 15.762 7.718
518 HG2 LYS 4 HG2 LYS 4 3.986 16.561 5.343
519 HG3 LYS 4 HG1 LYS 4 5.258 15.362 5.106
520 HD2 LYS 4 HD2 LYS 4 2.382 14.722 5.901
521 HD3 LYS 4 HD1 LYS 4 3.008 14.644 4.255
522 HE2 LYS 4 HE2 LYS 4 3.012 12.404 5.028
523 HE3 LYS 4 HE1 LYS 4 4.690 12.917 5.135
524 HZ1 LYS 4 HZ1 LYS 4 3.988 11.670 7.075
525 HZ2 LYS 4 HZ2 LYS 4 2.782 12.804 7.405
526 HZ3 LYS 4 HZ3 LYS 4 4.406 13.250 7.502
527 H GLN 5 HN GLN 5 7.189 14.838 7.805
528 HA GLN 5 HA GLN 5 9.322 15.789 6.029
529 HB2 GLN 5 HB2 GLN 5 9.709 16.664 8.434
530 HB3 GLN 5 HB1 GLN 5 9.927 14.989 8.924
531 HG2 GLN 5 HG2 GLN 5 11.846 14.839 7.316
532 HG3 GLN 5 HG1 GLN 5 11.644 16.557 6.968
533 HE21 GLN 5 HE21 GLN 5 13.695 17.118 7.760
534 HE22 GLN 5 HE22 GLN 5 14.092 17.074 9.439
535 H THR 6 HN THR 6 9.334 13.991 4.673
536 HA THR 6 HA THR 6 9.614 11.282 5.807
537 HB THR 6 HB THR 6 7.469 11.598 3.701
538 HG1 THR 6 HG1 THR 6 6.852 13.061 5.326
539 HG21 THR 6 HG21 THR 6 8.205 9.321 4.325
540 HG22 THR 6 HG22 THR 6 6.521 9.603 4.784
541 HG23 THR 6 HG23 THR 6 7.788 9.661 6.010
542 H ALA 7 HN ALA 7 10.456 9.763 4.395
543 HA ALA 7 HA ALA 7 10.955 10.456 1.570
544 HB1 ALA 7 HB1 ALA 7 13.148 9.298 1.686
545 HB2 ALA 7 HB2 ALA 7 12.947 9.110 3.433
546 HB3 ALA 7 HB3 ALA 7 13.098 10.718 2.729
547 H ARG 8 HN ARG 8 11.215 8.585 0.239
548 HA ARG 8 HA ARG 8 9.660 6.228 1.073
549 HB2 ARG 8 HB2 ARG 8 10.633 7.118 -1.682
550 HB3 ARG 8 HB1 ARG 8 9.559 5.755 -1.357
551 HG2 ARG 8 HG2 ARG 8 7.846 7.332 -0.492
552 HG3 ARG 8 HG1 ARG 8 8.925 8.688 -0.842
553 HD2 ARG 8 HD2 ARG 8 7.774 6.758 -2.887
554 HD3 ARG 8 HD1 ARG 8 7.192 8.393 -2.570
555 HE ARG 8 HE ARG 8 9.388 9.208 -3.325
556 HH11 ARG 8 HH11 ARG 8 8.513 5.953 -4.320
557 HH12 ARG 8 HH12 ARG 8 9.403 6.056 -5.806
558 HH21 ARG 8 HH21 ARG 8 10.543 9.325 -5.237
559 HH22 ARG 8 HH22 ARG 8 10.540 7.984 -6.336
560 H M3L 9 HN M3L 9 10.547 4.092 0.762
561 HA M3L 9 HA M3L 9 13.487 4.002 0.804
562 HB2 M3L 9 HB2 M3L 9 11.446 1.871 1.554
563 HB3 M3L 9 HB1 M3L 9 13.195 1.635 1.590
564 HG2 M3L 9 HG2 M3L 9 13.284 3.606 3.224
565 HG3 M3L 9 HG1 M3L 9 11.523 3.475 3.330
566 HD2 M3L 9 HD2 M3L 9 11.712 1.185 4.206
567 HD3 M3L 9 HD1 M3L 9 13.470 1.213 3.984
568 HE2 M3L 9 HE2 M3L 9 13.479 3.245 5.564
569 HE3 M3L 9 HE1 M3L 9 11.805 2.842 5.935
570 HM11 M3L 9 HH33 M3L 9 14.563 0.326 5.413
571 HM12 M3L 9 HH31 M3L 9 14.986 0.215 7.125
572 HM13 M3L 9 HH32 M3L 9 15.343 1.691 6.219
573 HM21 M3L 9 HH11 M3L 9 12.167 -0.254 5.950
574 HM22 M3L 9 HH12 M3L 9 11.283 0.686 7.156
575 HM23 M3L 9 HH13 M3L 9 12.597 -0.383 7.659
576 HM31 M3L 9 HH21 M3L 9 13.721 1.517 8.822
577 HM32 M3L 9 HH22 M3L 9 12.400 2.585 8.340
578 HM33 M3L 9 HH23 M3L 9 14.068 3.013 7.950
579 H SER 10 HN SER 10 14.642 2.451 -0.398
580 HA SER 10 HA SER 10 13.863 2.145 -3.119
581 HB2 SER 10 HB2 SER 10 16.017 0.648 -3.119
582 HB3 SER 10 HB1 SER 10 16.188 2.365 -2.758
583 HG SER 10 HG SER 10 16.488 1.921 -0.644
584 H THR 11 HN THR 11 11.868 1.102 -2.976
585 HA THR 11 HA THR 11 11.453 -1.422 -1.691
586 HB THR 11 HB THR 11 9.663 0.096 -3.651
587 HG1 THR 11 HG1 THR 11 9.782 1.457 -1.962
588 HG21 THR 11 HG21 THR 11 8.955 -2.021 -1.578
589 HG22 THR 11 HG22 THR 11 8.959 -2.272 -3.326
590 HG23 THR 11 HG23 THR 11 7.810 -1.148 -2.598
591 H GLY 12 HN GLY 12 12.602 -3.055 -2.518
592 HA2 GLY 12 HA2 GLY 12 12.034 -4.487 -4.790
593 HA3 GLY 12 HA1 GLY 12 13.318 -3.376 -5.274
594 H GLY 13 HN GLY 13 14.988 -4.904 -5.509
595 HA2 GLY 13 HA2 GLY 13 16.452 -5.567 -3.172
596 HA3 GLY 13 HA1 GLY 13 15.592 -6.997 -3.731
597 H LYS 14 HN LYS 14 18.431 -6.572 -3.548
598 HA LYS 14 HA LYS 14 19.541 -6.383 -6.206
599 HB2 LYS 14 HB2 LYS 14 20.858 -5.713 -4.231
600 HB3 LYS 14 HB1 LYS 14 20.735 -7.334 -3.560
601 HG2 LYS 14 HG2 LYS 14 22.075 -8.192 -5.497
602 HG3 LYS 14 HG1 LYS 14 22.239 -6.529 -6.080
603 HD2 LYS 14 HD2 LYS 14 23.413 -5.919 -3.975
604 HD3 LYS 14 HD1 LYS 14 23.248 -7.583 -3.404
605 HE2 LYS 14 HE2 LYS 14 24.638 -8.364 -5.292
606 HE3 LYS 14 HE1 LYS 14 24.795 -6.701 -5.865
607 HZ1 LYS 14 HZ1 LYS 14 26.707 -7.530 -4.558
608 HZ2 LYS 14 HZ2 LYS 14 25.708 -7.615 -3.196
609 HZ3 LYS 14 HZ3 LYS 14 26.008 -6.123 -3.933
610 H ALA 15 HN ALA 15 20.203 -8.079 -7.526
611 HA ALA 15 HA ALA 15 19.217 -10.783 -6.920
612 HB1 ALA 15 HB1 ALA 15 20.304 -9.616 -9.519
613 HB2 ALA 15 HB2 ALA 15 18.602 -9.830 -9.110
614 HB3 ALA 15 HB3 ALA 15 19.638 -11.241 -9.319
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 8.757 -1.917 -1.766
2 H2 GLY 1 HT2 GLY 1 7.782 -3.221 -2.220
3 H3 GLY 1 HT3 GLY 1 7.418 -2.331 -0.833
4 HA2 GLY 1 HA1 GLY 1 7.309 -1.366 -3.612
5 HA3 GLY 1 HA2 GLY 1 5.923 -1.729 -2.586
6 H GLU 2 HN GLU 2 5.040 0.303 -2.443
7 HA GLU 2 HA GLU 2 6.622 2.676 -1.915
8 HB2 GLU 2 HB2 GLU 2 3.628 2.199 -2.259
9 HB3 GLU 2 HB1 GLU 2 4.308 3.788 -1.919
10 HG2 GLU 2 HG2 GLU 2 4.979 2.094 -4.349
11 HG3 GLU 2 HG1 GLU 2 3.809 3.411 -4.328
12 H GLN 3 HN GLN 3 7.406 1.474 0.092
13 HA GLN 3 HA GLN 3 5.723 1.870 2.459
14 HB2 GLN 3 HB2 GLN 3 8.357 0.459 1.949
15 HB3 GLN 3 HB1 GLN 3 7.954 0.958 3.583
16 HG2 GLN 3 HG2 GLN 3 7.357 -1.356 3.280
17 HG3 GLN 3 HG1 GLN 3 5.890 -0.401 3.486
18 HE21 GLN 3 HE21 GLN 3 4.475 -0.148 1.715
19 HE22 GLN 3 HE22 GLN 3 4.561 -1.182 0.335
20 H VAL 4 HN VAL 4 5.609 3.913 3.051
21 HA VAL 4 HA VAL 4 7.957 5.682 3.013
22 HB VAL 4 HB VAL 4 6.426 7.527 3.402
23 HG11 VAL 4 HG11 VAL 4 5.016 7.429 1.381
24 HG12 VAL 4 HG12 VAL 4 5.240 5.681 1.297
25 HG13 VAL 4 HG13 VAL 4 6.618 6.759 1.075
26 HG21 VAL 4 HG21 VAL 4 4.840 6.508 4.988
27 HG22 VAL 4 HG22 VAL 4 4.166 5.506 3.703
28 HG23 VAL 4 HG23 VAL 4 3.968 7.260 3.649
29 H PHE 5 HN PHE 5 8.845 6.456 4.903
30 HA PHE 5 HA PHE 5 7.719 5.577 7.490
31 HB2 PHE 5 HB2 PHE 5 10.627 5.372 6.574
32 HB3 PHE 5 HB1 PHE 5 10.148 5.257 8.262
33 HD1 PHE 5 HD2 PHE 5 9.781 3.604 4.936
34 HD2 PHE 5 HD1 PHE 5 9.335 3.187 9.167
35 HE1 PHE 5 HE2 PHE 5 9.355 1.201 4.659
36 HE2 PHE 5 HE1 PHE 5 8.911 0.782 8.876
37 HZ PHE 5 HZ PHE 5 8.914 -0.212 6.624
38 H ALA 6 HN ALA 6 7.768 7.044 9.065
39 HA ALA 6 HA ALA 6 8.418 9.784 8.687
40 HB1 ALA 6 HB1 ALA 6 8.031 9.954 11.134
41 HB2 ALA 6 HB2 ALA 6 7.979 8.193 11.247
42 HB3 ALA 6 HB3 ALA 6 6.744 9.061 10.331
43 H VAL 7 HN VAL 7 10.375 10.795 8.950
44 HA VAL 7 HA VAL 7 12.689 9.069 9.621
45 HB VAL 7 HB VAL 7 14.036 10.584 8.201
46 HG11 VAL 7 HG11 VAL 7 13.004 8.599 7.181
47 HG12 VAL 7 HG12 VAL 7 13.096 9.919 6.018
48 HG13 VAL 7 HG13 VAL 7 11.554 9.527 6.786
49 HG21 VAL 7 HG21 VAL 7 12.919 12.301 6.799
50 HG22 VAL 7 HG22 VAL 7 12.789 12.671 8.516
51 HG23 VAL 7 HG23 VAL 7 11.402 12.006 7.651
52 H GLU 8 HN GLU 8 14.430 9.890 10.791
53 HA GLU 8 HA GLU 8 13.896 11.881 12.812
54 HB2 GLU 8 HB2 GLU 8 15.241 9.866 13.287
55 HB3 GLU 8 HB1 GLU 8 16.440 10.351 12.093
56 HG2 GLU 8 HG2 GLU 8 16.970 12.349 13.477
57 HG3 GLU 8 HG1 GLU 8 15.786 11.819 14.670
58 H SER 9 HN SER 9 16.388 11.516 10.298
59 HA SER 9 HA SER 9 16.370 14.228 9.385
60 HB2 SER 9 HB2 SER 9 18.641 13.324 11.227
61 HB3 SER 9 HB1 SER 9 18.752 14.731 10.166
62 HG SER 9 HG SER 9 16.967 14.345 12.339
63 H ILE 10 HN ILE 10 18.217 14.572 7.807
64 HA ILE 10 HA ILE 10 19.222 12.148 6.520
65 HB ILE 10 HB ILE 10 20.020 15.048 6.001
66 HG12 ILE 10 HG12 ILE 10 17.621 14.816 5.586
67 HG13 ILE 10 HG11 ILE 10 18.477 15.036 4.071
68 HG21 ILE 10 HG21 ILE 10 20.840 14.234 3.818
69 HG22 ILE 10 HG22 ILE 10 20.421 12.582 4.276
70 HG23 ILE 10 HG23 ILE 10 21.669 13.453 5.167
71 HD11 ILE 10 HD11 ILE 10 17.371 12.439 5.136
72 HD12 ILE 10 HD12 ILE 10 18.274 12.622 3.629
73 HD13 ILE 10 HD13 ILE 10 16.715 13.418 3.826
74 H ARG 11 HN ARG 11 21.090 11.202 7.136
75 HA ARG 11 HA ARG 11 22.704 12.337 9.269
76 HB2 ARG 11 HB2 ARG 11 22.051 9.683 8.485
77 HB3 ARG 11 HB1 ARG 11 23.766 9.821 8.151
78 HG2 ARG 11 HG2 ARG 11 22.433 10.373 10.827
79 HG3 ARG 11 HG1 ARG 11 23.313 8.901 10.407
80 HD2 ARG 11 HD2 ARG 11 25.394 10.107 10.262
81 HD3 ARG 11 HD1 ARG 11 24.573 11.669 10.396
82 HE ARG 11 HE ARG 11 23.964 10.126 12.671
83 HH11 ARG 11 HH11 ARG 11 26.755 11.763 11.287
84 HH12 ARG 11 HH12 ARG 11 27.484 12.071 12.826
85 HH21 ARG 11 HH21 ARG 11 24.916 10.558 14.670
86 HH22 ARG 11 HH22 ARG 11 26.424 11.407 14.757
87 H LYS 12 HN LYS 12 23.259 11.165 5.933
88 HA LYS 12 HA LYS 12 25.439 13.120 5.546
89 HB2 LYS 12 HB2 LYS 12 25.649 10.127 4.982
90 HB3 LYS 12 HB1 LYS 12 26.783 11.318 4.363
91 HG2 LYS 12 HG2 LYS 12 27.389 11.912 6.709
92 HG3 LYS 12 HG1 LYS 12 26.299 10.646 7.279
93 HD2 LYS 12 HD2 LYS 12 27.662 8.936 6.160
94 HD3 LYS 12 HD1 LYS 12 28.721 10.183 5.495
95 HE2 LYS 12 HE2 LYS 12 29.367 10.822 7.815
96 HE3 LYS 12 HE1 LYS 12 28.362 9.511 8.439
97 HZ1 LYS 12 HZ1 LYS 12 29.746 7.944 7.224
98 HZ2 LYS 12 HZ2 LYS 12 30.665 8.860 8.307
99 HZ3 LYS 12 HZ3 LYS 12 30.715 9.211 6.653
100 H LYS 13 HN LYS 13 26.121 13.030 3.088
101 HA LYS 13 HA LYS 13 23.961 12.541 1.240
102 HB2 LYS 13 HB2 LYS 13 23.122 14.626 2.255
103 HB3 LYS 13 HB1 LYS 13 24.671 15.415 1.988
104 HG2 LYS 13 HG2 LYS 13 24.287 15.121 -0.508
105 HG3 LYS 13 HG1 LYS 13 22.663 14.549 -0.122
106 HD2 LYS 13 HD2 LYS 13 22.110 16.726 0.876
107 HD3 LYS 13 HD1 LYS 13 23.759 17.300 0.602
108 HE2 LYS 13 HE2 LYS 13 23.412 17.069 -1.847
109 HE3 LYS 13 HE1 LYS 13 21.763 16.515 -1.554
110 HZ1 LYS 13 HZ1 LYS 13 21.252 18.640 -0.578
111 HZ2 LYS 13 HZ2 LYS 13 21.851 18.845 -2.143
112 HZ3 LYS 13 HZ3 LYS 13 22.839 19.173 -0.812
113 H ARG 14 HN ARG 14 24.629 12.662 -0.875
114 HA ARG 14 HA ARG 14 27.128 13.842 -1.716
115 HB2 ARG 14 HB2 ARG 14 28.252 11.781 -2.386
116 HB3 ARG 14 HB1 ARG 14 27.861 11.665 -0.672
117 HG2 ARG 14 HG2 ARG 14 25.771 10.345 -1.377
118 HG3 ARG 14 HG1 ARG 14 26.492 10.266 -2.988
119 HD2 ARG 14 HD2 ARG 14 28.524 9.188 -1.919
120 HD3 ARG 14 HD1 ARG 14 27.603 9.131 -0.402
121 HE ARG 14 HE ARG 14 26.251 7.929 -2.672
122 HH11 ARG 14 HH11 ARG 14 28.435 7.254 0.019
123 HH12 ARG 14 HH12 ARG 14 28.129 5.547 -0.034
124 HH21 ARG 14 HH21 ARG 14 25.873 5.722 -2.725
125 HH22 ARG 14 HH22 ARG 14 26.662 4.679 -1.584
126 H VAL 15 HN VAL 15 27.416 13.480 -4.123
127 HA VAL 15 HA VAL 15 25.004 12.410 -5.477
128 HB VAL 15 HB VAL 15 24.985 14.775 -5.932
129 HG11 VAL 15 HG11 VAL 15 27.853 14.599 -6.905
130 HG12 VAL 15 HG12 VAL 15 27.305 15.381 -5.422
131 HG13 VAL 15 HG13 VAL 15 26.821 16.031 -6.990
132 HG21 VAL 15 HG21 VAL 15 24.357 13.322 -7.809
133 HG22 VAL 15 HG22 VAL 15 26.026 13.310 -8.383
134 HG23 VAL 15 HG23 VAL 15 25.098 14.810 -8.402
135 H ARG 16 HN ARG 16 25.435 10.597 -6.431
136 HA ARG 16 HA ARG 16 28.091 9.970 -7.555
137 HB2 ARG 16 HB2 ARG 16 27.988 9.035 -5.237
138 HB3 ARG 16 HB1 ARG 16 26.485 8.214 -5.628
139 HG2 ARG 16 HG2 ARG 16 28.265 6.598 -5.660
140 HG3 ARG 16 HG1 ARG 16 27.718 6.843 -7.321
141 HD2 ARG 16 HD2 ARG 16 29.646 8.392 -7.673
142 HD3 ARG 16 HD1 ARG 16 30.205 8.023 -6.037
143 HE ARG 16 HE ARG 16 29.856 5.635 -7.537
144 HH11 ARG 16 HH11 ARG 16 32.089 8.334 -7.177
145 HH12 ARG 16 HH12 ARG 16 33.444 7.444 -7.786
146 HH21 ARG 16 HH21 ARG 16 31.632 4.503 -8.362
147 HH22 ARG 16 HH22 ARG 16 33.182 5.274 -8.464
148 H LYS 17 HN LYS 17 27.842 9.137 -9.567
149 HA LYS 17 HA LYS 17 26.973 8.252 -11.485
150 HB2 LYS 17 HB2 LYS 17 26.576 6.280 -9.949
151 HB3 LYS 17 HB1 LYS 17 24.961 6.888 -9.638
152 HG2 LYS 17 HG2 LYS 17 24.373 6.528 -12.018
153 HG3 LYS 17 HG1 LYS 17 25.996 5.897 -12.319
154 HD2 LYS 17 HD2 LYS 17 23.900 4.688 -10.460
155 HD3 LYS 17 HD1 LYS 17 24.395 4.049 -12.030
156 HE2 LYS 17 HE2 LYS 17 26.132 4.249 -9.540
157 HE3 LYS 17 HE1 LYS 17 25.450 2.780 -10.235
158 HZ1 LYS 17 HZ1 LYS 17 27.388 4.543 -11.633
159 HZ2 LYS 17 HZ2 LYS 17 26.832 3.033 -12.156
160 HZ3 LYS 17 HZ3 LYS 17 27.802 3.149 -10.778
161 H GLY 18 HN GLY 18 26.016 10.790 -10.330
162 HA2 GLY 18 HA2 GLY 18 24.599 12.497 -10.962
163 HA3 GLY 18 HA1 GLY 18 23.716 11.381 -11.993
164 H LYS 19 HN LYS 19 23.801 9.797 -9.177
165 HA LYS 19 HA LYS 19 21.079 10.609 -8.455
166 HB2 LYS 19 HB2 LYS 19 22.708 8.150 -7.641
167 HB3 LYS 19 HB1 LYS 19 21.003 8.430 -7.275
168 HG2 LYS 19 HG2 LYS 19 22.167 8.176 -10.061
169 HG3 LYS 19 HG1 LYS 19 21.351 6.871 -9.186
170 HD2 LYS 19 HD2 LYS 19 19.262 8.094 -9.199
171 HD3 LYS 19 HD1 LYS 19 20.039 9.537 -9.853
172 HE2 LYS 19 HE2 LYS 19 20.438 8.397 -11.978
173 HE3 LYS 19 HE1 LYS 19 19.794 6.888 -11.324
174 HZ1 LYS 19 HZ1 LYS 19 17.659 7.980 -11.027
175 HZ2 LYS 19 HZ2 LYS 19 18.148 8.033 -12.647
176 HZ3 LYS 19 HZ3 LYS 19 18.277 9.413 -11.677
177 H VAL 20 HN VAL 20 20.985 12.108 -6.929
178 HA VAL 20 HA VAL 20 23.109 12.545 -5.025
179 HB VAL 20 HB VAL 20 20.334 13.805 -5.013
180 HG11 VAL 20 HG11 VAL 20 22.954 14.776 -3.812
181 HG12 VAL 20 HG12 VAL 20 21.568 14.145 -2.918
182 HG13 VAL 20 HG13 VAL 20 21.430 15.667 -3.800
183 HG21 VAL 20 HG21 VAL 20 21.381 14.139 -7.221
184 HG22 VAL 20 HG22 VAL 20 22.818 14.816 -6.451
185 HG23 VAL 20 HG23 VAL 20 21.271 15.661 -6.333
186 H GLU 21 HN GLU 21 23.343 11.121 -3.449
187 HA GLU 21 HA GLU 21 21.066 9.596 -2.397
188 HB2 GLU 21 HB2 GLU 21 24.069 9.100 -2.211
189 HB3 GLU 21 HB1 GLU 21 22.834 8.067 -1.491
190 HG2 GLU 21 HG2 GLU 21 21.948 7.540 -3.720
191 HG3 GLU 21 HG1 GLU 21 23.140 8.603 -4.468
192 H TYR 22 HN TYR 22 20.539 9.596 -0.314
193 HA TYR 22 HA TYR 22 21.884 11.430 1.583
194 HB2 TYR 22 HB2 TYR 22 18.888 10.875 1.229
195 HB3 TYR 22 HB1 TYR 22 19.578 11.841 2.526
196 HD1 TYR 22 HD1 TYR 22 19.161 11.720 -1.192
197 HD2 TYR 22 HD2 TYR 22 19.962 14.178 2.206
198 HE1 TYR 22 HE1 TYR 22 18.973 13.725 -2.591
199 HE2 TYR 22 HE2 TYR 22 19.766 16.178 0.805
200 HH TYR 22 HH TYR 22 18.474 16.121 -2.323
201 H LEU 23 HN LEU 23 22.786 10.121 3.148
202 HA LEU 23 HA LEU 23 21.870 7.484 3.786
203 HB2 LEU 23 HB2 LEU 23 24.231 8.341 4.085
204 HB3 LEU 23 HB1 LEU 23 23.653 9.351 5.397
205 HG LEU 23 HG LEU 23 22.989 7.270 6.645
206 HD11 LEU 23 HD11 LEU 23 24.442 5.820 4.416
207 HD12 LEU 23 HD12 LEU 23 22.711 5.738 4.765
208 HD13 LEU 23 HD13 LEU 23 23.874 5.103 5.925
209 HD21 LEU 23 HD21 LEU 23 25.918 7.442 5.880
210 HD22 LEU 23 HD22 LEU 23 25.266 6.646 7.316
211 HD23 LEU 23 HD23 LEU 23 25.113 8.392 7.134
212 H VAL 24 HN VAL 24 19.628 7.821 4.179
213 HA VAL 24 HA VAL 24 18.698 9.901 5.910
214 HB VAL 24 HB VAL 24 17.169 7.603 4.635
215 HG11 VAL 24 HG11 VAL 24 16.060 10.093 6.000
216 HG12 VAL 24 HG12 VAL 24 15.916 8.432 6.584
217 HG13 VAL 24 HG13 VAL 24 15.108 8.915 5.091
218 HG21 VAL 24 HG21 VAL 24 18.191 9.112 2.989
219 HG22 VAL 24 HG22 VAL 24 17.432 10.499 3.770
220 HG23 VAL 24 HG23 VAL 24 16.436 9.273 2.990
221 H LYS 25 HN LYS 25 19.002 9.746 8.030
222 HA LYS 25 HA LYS 25 18.883 7.289 9.516
223 HB2 LYS 25 HB2 LYS 25 20.314 9.135 10.291
224 HB3 LYS 25 HB1 LYS 25 18.921 10.202 10.427
225 HG2 LYS 25 HG2 LYS 25 19.676 9.365 12.620
226 HG3 LYS 25 HG1 LYS 25 18.017 8.881 12.255
227 HD2 LYS 25 HD2 LYS 25 18.858 6.625 11.577
228 HD3 LYS 25 HD1 LYS 25 20.497 7.121 12.012
229 HE2 LYS 25 HE2 LYS 25 19.504 5.794 13.809
230 HE3 LYS 25 HE1 LYS 25 19.754 7.451 14.355
231 HZ1 LYS 25 HZ1 LYS 25 17.619 6.617 15.050
232 HZ2 LYS 25 HZ2 LYS 25 17.173 6.284 13.455
233 HZ3 LYS 25 HZ3 LYS 25 17.403 7.886 13.957
234 H TRP 26 HN TRP 26 17.006 6.286 9.608
235 HA TRP 26 HA TRP 26 14.419 7.539 9.453
236 HB2 TRP 26 HB2 TRP 26 15.098 4.639 10.148
237 HB3 TRP 26 HB1 TRP 26 13.555 5.245 9.550
238 HD1 TRP 26 HD1 TRP 26 16.981 4.117 8.377
239 HE1 TRP 26 HE1 TRP 26 17.047 4.079 5.806
240 HE3 TRP 26 HE3 TRP 26 12.540 6.424 7.422
241 HZ2 TRP 26 HZ2 TRP 26 15.444 4.937 3.662
242 HZ3 TRP 26 HZ3 TRP 26 11.870 6.791 5.083
243 HH2 TRP 26 HH2 TRP 26 13.296 6.060 3.234
244 H LYS 27 HN LYS 27 12.790 7.472 11.147
245 HA LYS 27 HA LYS 27 13.849 8.617 13.517
246 HB2 LYS 27 HB2 LYS 27 11.705 9.296 12.443
247 HB3 LYS 27 HB1 LYS 27 10.989 7.773 12.923
248 HG2 LYS 27 HG2 LYS 27 10.157 9.390 14.428
249 HG3 LYS 27 HG1 LYS 27 11.352 8.477 15.345
250 HD2 LYS 27 HD2 LYS 27 12.125 11.075 13.983
251 HD3 LYS 27 HD1 LYS 27 11.264 11.111 15.521
252 HE2 LYS 27 HE2 LYS 27 13.950 9.780 15.021
253 HE3 LYS 27 HE1 LYS 27 13.693 11.311 15.849
254 HZ1 LYS 27 HZ1 LYS 27 12.504 10.155 17.589
255 HZ2 LYS 27 HZ2 LYS 27 14.026 9.456 17.392
256 HZ3 LYS 27 HZ3 LYS 27 12.658 8.681 16.782
257 H GLY 28 HN GLY 28 11.971 5.598 13.050
258 HA2 GLY 28 HA2 GLY 28 12.505 4.799 15.844
259 HA3 GLY 28 HA1 GLY 28 11.302 4.115 14.768
260 H TRP 29 HN TRP 29 14.330 4.482 13.248
261 HA TRP 29 HA TRP 29 15.027 1.629 13.699
262 HB2 TRP 29 HB2 TRP 29 15.370 3.309 11.169
263 HB3 TRP 29 HB1 TRP 29 15.983 1.672 11.363
264 HD1 TRP 29 HD1 TRP 29 12.614 3.563 11.185
265 HE1 TRP 29 HE1 TRP 29 10.817 1.948 10.331
266 HE3 TRP 29 HE3 TRP 29 15.393 -0.731 11.003
267 HZ2 TRP 29 HZ2 TRP 29 10.585 -0.765 9.662
268 HZ3 TRP 29 HZ3 TRP 29 14.301 -2.797 10.227
269 HH2 TRP 29 HH2 TRP 29 11.943 -2.814 9.567
270 HA PRO 30 HA PRO 30 18.914 3.127 15.327
271 HB2 PRO 30 HB2 PRO 30 20.507 0.911 14.872
272 HB3 PRO 30 HB1 PRO 30 19.305 1.002 16.165
273 HG2 PRO 30 HG2 PRO 30 19.067 -0.248 13.437
274 HG3 PRO 30 HG1 PRO 30 18.562 -0.902 15.008
275 HD2 PRO 30 HD2 PRO 30 16.784 0.224 13.318
276 HD3 PRO 30 HD1 PRO 30 16.631 0.421 15.080
277 HA PRO 31 HA PRO 31 21.349 5.055 12.122
278 HB2 PRO 31 HB2 PRO 31 23.865 4.251 13.571
279 HB3 PRO 31 HB1 PRO 31 23.321 5.858 13.062
280 HG2 PRO 31 HG2 PRO 31 23.148 5.167 15.621
281 HG3 PRO 31 HG1 PRO 31 21.814 6.057 14.857
282 HD2 PRO 31 HD2 PRO 31 22.011 3.103 15.474
283 HD3 PRO 31 HD1 PRO 31 20.642 4.215 15.718
284 H LYS 32 HN LYS 32 22.197 1.720 12.833
285 HA LYS 32 HA LYS 32 23.866 1.321 10.528
286 HB2 LYS 32 HB2 LYS 32 23.581 -1.129 11.013
287 HB3 LYS 32 HB1 LYS 32 24.196 -0.179 12.359
288 HG2 LYS 32 HG2 LYS 32 22.048 -0.243 13.480
289 HG3 LYS 32 HG1 LYS 32 21.294 -1.028 12.087
290 HD2 LYS 32 HD2 LYS 32 22.664 -3.030 12.428
291 HD3 LYS 32 HD1 LYS 32 23.538 -2.245 13.746
292 HE2 LYS 32 HE2 LYS 32 20.547 -2.778 13.816
293 HE3 LYS 32 HE1 LYS 32 21.749 -3.897 14.458
294 HZ1 LYS 32 HZ1 LYS 32 22.490 -2.168 15.983
295 HZ2 LYS 32 HZ2 LYS 32 20.848 -2.501 16.198
296 HZ3 LYS 32 HZ3 LYS 32 21.323 -1.098 15.382
297 H TYR 33 HN TYR 33 20.447 1.440 10.973
298 HA TYR 33 HA TYR 33 19.854 0.150 8.394
299 HB2 TYR 33 HB2 TYR 33 18.157 0.943 10.775
300 HB3 TYR 33 HB1 TYR 33 17.390 0.695 9.207
301 HD1 TYR 33 HD1 TYR 33 19.366 -0.984 11.867
302 HD2 TYR 33 HD2 TYR 33 17.079 -1.524 8.307
303 HE1 TYR 33 HE1 TYR 33 19.360 -3.408 12.241
304 HE2 TYR 33 HE2 TYR 33 17.066 -3.951 8.678
305 HH TYR 33 HH TYR 33 18.462 -5.637 9.881
306 H SER 34 HN SER 34 20.856 3.157 9.253
307 HA SER 34 HA SER 34 19.142 4.789 7.648
308 HB2 SER 34 HB2 SER 34 20.985 6.442 7.683
309 HB3 SER 34 HB1 SER 34 20.717 5.785 9.297
310 HG SER 34 HG SER 34 22.540 4.315 7.921
311 H THR 35 HN THR 35 18.912 4.661 5.472
312 HA THR 35 HA THR 35 20.873 3.108 3.885
313 HB THR 35 HB THR 35 18.858 2.829 2.297
314 HG1 THR 35 HG1 THR 35 17.007 3.725 2.849
315 HG21 THR 35 HG21 THR 35 17.791 1.062 3.645
316 HG22 THR 35 HG22 THR 35 18.537 1.708 5.107
317 HG23 THR 35 HG23 THR 35 19.544 1.005 3.838
318 H TRP 36 HN TRP 36 21.680 3.927 1.937
319 HA TRP 36 HA TRP 36 21.653 6.776 1.518
320 HB2 TRP 36 HB2 TRP 36 22.875 4.487 -0.077
321 HB3 TRP 36 HB1 TRP 36 22.993 6.163 -0.594
322 HD1 TRP 36 HD1 TRP 36 24.600 3.669 1.738
323 HE1 TRP 36 HE1 TRP 36 26.561 4.787 2.964
324 HE3 TRP 36 HE3 TRP 36 23.699 8.541 0.448
325 HZ2 TRP 36 HZ2 TRP 36 27.587 7.387 3.357
326 HZ3 TRP 36 HZ3 TRP 36 25.216 10.287 1.292
327 HH2 TRP 36 HH2 TRP 36 27.121 9.718 2.720
328 H GLU 37 HN GLU 37 19.445 7.050 1.295
329 HA GLU 37 HA GLU 37 17.912 6.032 -0.922
330 HB2 GLU 37 HB2 GLU 37 17.406 8.052 1.282
331 HB3 GLU 37 HB1 GLU 37 16.199 7.637 0.076
332 HG2 GLU 37 HG2 GLU 37 17.453 5.599 1.925
333 HG3 GLU 37 HG1 GLU 37 15.987 6.497 2.320
334 HA PRO 38 HA PRO 38 19.220 9.571 -3.557
335 HB2 PRO 38 HB2 PRO 38 17.708 8.933 -5.761
336 HB3 PRO 38 HB1 PRO 38 19.239 8.137 -5.383
337 HG2 PRO 38 HG2 PRO 38 16.437 7.196 -4.802
338 HG3 PRO 38 HG1 PRO 38 17.796 6.278 -5.486
339 HD2 PRO 38 HD2 PRO 38 17.134 6.081 -2.868
340 HD3 PRO 38 HD1 PRO 38 18.832 6.001 -3.397
341 H GLU 39 HN GLU 39 18.196 11.439 -4.317
342 HA GLU 39 HA GLU 39 16.327 12.644 -2.710
343 HB2 GLU 39 HB2 GLU 39 16.152 14.340 -4.762
344 HB3 GLU 39 HB1 GLU 39 17.626 14.188 -3.824
345 HG2 GLU 39 HG2 GLU 39 17.987 14.333 -6.284
346 HG3 GLU 39 HG1 GLU 39 18.708 12.910 -5.540
347 H GLU 40 HN GLU 40 15.573 10.612 -5.396
348 HA GLU 40 HA GLU 40 13.041 11.380 -6.196
349 HB2 GLU 40 HB2 GLU 40 14.402 8.680 -5.992
350 HB3 GLU 40 HB1 GLU 40 12.739 8.780 -6.563
351 HG2 GLU 40 HG2 GLU 40 15.060 10.261 -7.830
352 HG3 GLU 40 HG1 GLU 40 14.466 8.689 -8.373
353 H HIS 41 HN HIS 41 13.963 9.728 -3.241
354 HA HIS 41 HA HIS 41 11.299 8.806 -2.582
355 HB2 HIS 41 HB2 HIS 41 12.304 7.624 -0.832
356 HB3 HIS 41 HB1 HIS 41 13.605 7.698 -2.011
357 HD1 HIS 41 HD1 HIS 41 14.975 10.295 -1.462
358 HD2 HIS 41 HD2 HIS 41 13.402 7.972 1.579
359 HE1 HIS 41 HE1 HIS 41 16.114 11.072 0.627
360 HE2 HIS 41 HE2 HIS 41 15.037 9.733 2.465
361 H ILE 42 HN ILE 42 12.852 11.802 -2.213
362 HA ILE 42 HA ILE 42 12.125 12.628 0.413
363 HB ILE 42 HB ILE 42 12.823 14.232 -2.094
364 HG12 ILE 42 HG12 ILE 42 14.668 12.813 -1.159
365 HG13 ILE 42 HG11 ILE 42 15.040 14.531 -1.094
366 HG21 ILE 42 HG21 ILE 42 13.166 16.214 -0.636
367 HG22 ILE 42 HG22 ILE 42 12.476 15.321 0.721
368 HG23 ILE 42 HG23 ILE 42 11.479 15.694 -0.686
369 HD11 ILE 42 HD11 ILE 42 14.132 12.825 1.222
370 HD12 ILE 42 HD12 ILE 42 14.502 14.550 1.299
371 HD13 ILE 42 HD13 ILE 42 15.771 13.389 0.909
372 H LEU 43 HN LEU 43 10.097 13.062 1.175
373 HA LEU 43 HA LEU 43 7.958 13.845 -0.743
374 HB2 LEU 43 HB2 LEU 43 7.591 12.677 2.041
375 HB3 LEU 43 HB1 LEU 43 6.360 12.891 0.805
376 HG LEU 43 HG LEU 43 8.657 10.884 0.737
377 HD11 LEU 43 HD11 LEU 43 6.882 10.232 2.274
378 HD12 LEU 43 HD12 LEU 43 6.895 9.181 0.864
379 HD13 LEU 43 HD13 LEU 43 5.668 10.443 1.010
380 HD21 LEU 43 HD21 LEU 43 6.500 11.387 -1.329
381 HD22 LEU 43 HD22 LEU 43 7.643 10.040 -1.334
382 HD23 LEU 43 HD23 LEU 43 8.231 11.687 -1.506
383 H ASP 44 HN ASP 44 10.063 15.317 1.247
384 HA ASP 44 HA ASP 44 8.298 17.532 1.954
385 HB2 ASP 44 HB2 ASP 44 8.009 16.110 3.907
386 HB3 ASP 44 HB1 ASP 44 9.745 15.846 4.034
387 HA PRO 45 HA PRO 45 12.195 19.604 0.743
388 HB2 PRO 45 HB2 PRO 45 11.438 22.181 1.377
389 HB3 PRO 45 HB1 PRO 45 10.920 21.358 -0.100
390 HG2 PRO 45 HG2 PRO 45 9.449 21.638 2.526
391 HG3 PRO 45 HG1 PRO 45 8.838 21.901 0.877
392 HD2 PRO 45 HD2 PRO 45 8.326 19.612 2.180
393 HD3 PRO 45 HD1 PRO 45 8.680 19.592 0.435
394 H ARG 46 HN ARG 46 10.588 20.144 3.861
395 HA ARG 46 HA ARG 46 12.720 21.498 5.166
396 HB2 ARG 46 HB2 ARG 46 10.397 19.938 6.374
397 HB3 ARG 46 HB1 ARG 46 11.474 20.990 7.282
398 HG2 ARG 46 HG2 ARG 46 9.543 21.843 5.102
399 HG3 ARG 46 HG1 ARG 46 9.354 22.106 6.839
400 HD2 ARG 46 HD2 ARG 46 11.415 23.348 4.987
401 HD3 ARG 46 HD1 ARG 46 10.122 24.173 5.865
402 HE ARG 46 HE ARG 46 12.297 22.805 7.326
403 HH11 ARG 46 HH11 ARG 46 10.585 25.802 6.679
404 HH12 ARG 46 HH12 ARG 46 11.495 26.693 7.857
405 HH21 ARG 46 HH21 ARG 46 13.446 23.992 8.841
406 HH22 ARG 46 HH22 ARG 46 13.115 25.677 9.056
407 H LEU 47 HN LEU 47 12.188 18.142 4.483
408 HA LEU 47 HA LEU 47 13.833 16.958 6.461
409 HB2 LEU 47 HB2 LEU 47 12.273 15.629 5.168
410 HB3 LEU 47 HB1 LEU 47 13.053 16.070 3.661
411 HG LEU 47 HG LEU 47 14.990 14.694 4.172
412 HD11 LEU 47 HD11 LEU 47 15.122 13.307 6.217
413 HD12 LEU 47 HD12 LEU 47 13.722 14.158 6.870
414 HD13 LEU 47 HD13 LEU 47 15.221 15.036 6.557
415 HD21 LEU 47 HD21 LEU 47 13.058 13.567 3.141
416 HD22 LEU 47 HD22 LEU 47 12.432 13.155 4.739
417 HD23 LEU 47 HD23 LEU 47 13.958 12.463 4.185
418 H VAL 48 HN VAL 48 14.611 17.939 3.092
419 HA VAL 48 HA VAL 48 17.422 17.341 3.293
420 HB VAL 48 HB VAL 48 16.066 19.152 1.242
421 HG11 VAL 48 HG11 VAL 48 17.983 18.566 -0.219
422 HG12 VAL 48 HG12 VAL 48 18.690 17.618 1.091
423 HG13 VAL 48 HG13 VAL 48 18.523 19.363 1.262
424 HG21 VAL 48 HG21 VAL 48 15.874 17.176 -0.220
425 HG22 VAL 48 HG22 VAL 48 14.958 16.941 1.270
426 HG23 VAL 48 HG23 VAL 48 16.521 16.149 1.063
427 H MET 49 HN MET 49 15.415 20.181 3.649
428 HA MET 49 HA MET 49 17.482 22.135 3.791
429 HB2 MET 49 HB2 MET 49 14.537 22.216 4.542
430 HB3 MET 49 HB1 MET 49 15.598 23.627 4.646
431 HG2 MET 49 HG2 MET 49 14.930 22.064 2.141
432 HG3 MET 49 HG1 MET 49 14.299 23.651 2.585
433 HE1 MET 49 HE1 MET 49 16.654 24.430 -0.482
434 HE2 MET 49 HE2 MET 49 15.016 24.552 0.154
435 HE3 MET 49 HE3 MET 49 15.683 22.973 -0.265
436 H ALA 50 HN ALA 50 15.874 20.124 6.200
437 HA ALA 50 HA ALA 50 16.814 21.462 8.542
438 HB1 ALA 50 HB1 ALA 50 16.329 19.354 9.732
439 HB2 ALA 50 HB2 ALA 50 16.137 18.519 8.186
440 HB3 ALA 50 HB3 ALA 50 15.006 19.792 8.650
441 H TYR 51 HN TYR 51 18.223 19.168 6.337
442 HA TYR 51 HA TYR 51 20.505 18.467 7.922
443 HB2 TYR 51 HB2 TYR 51 19.646 16.920 6.262
444 HB3 TYR 51 HB1 TYR 51 19.862 18.104 4.979
445 HD1 TYR 51 HD2 TYR 51 21.893 16.337 7.604
446 HD2 TYR 51 HD1 TYR 51 21.784 17.901 3.636
447 HE1 TYR 51 HE2 TYR 51 24.137 15.441 7.191
448 HE2 TYR 51 HE1 TYR 51 24.031 17.020 3.228
449 HH TYR 51 HH TYR 51 25.593 14.839 5.390
450 H GLU 52 HN GLU 52 20.063 20.528 4.996
451 HA GLU 52 HA GLU 52 22.863 21.294 4.970
452 HB2 GLU 52 HB2 GLU 52 20.576 22.197 3.165
453 HB3 GLU 52 HB1 GLU 52 22.287 22.545 2.909
454 HG2 GLU 52 HG2 GLU 52 22.654 20.019 2.861
455 HG3 GLU 52 HG1 GLU 52 20.899 19.858 2.776
456 H GLU 53 HN GLU 53 19.780 23.106 5.203
457 HA GLU 53 HA GLU 53 21.115 25.458 6.349
458 HB2 GLU 53 HB2 GLU 53 18.150 24.985 5.763
459 HB3 GLU 53 HB1 GLU 53 18.896 26.528 6.171
460 HG2 GLU 53 HG2 GLU 53 19.463 24.918 3.655
461 HG3 GLU 53 HG1 GLU 53 18.367 26.291 3.754
462 H LYS 54 HN LYS 54 21.743 23.754 8.091
463 HA LYS 54 HA LYS 54 19.644 22.840 9.863
464 HB2 LYS 54 HB2 LYS 54 21.547 21.374 9.238
465 HB3 LYS 54 HB1 LYS 54 22.664 22.465 10.048
466 HG2 LYS 54 HG2 LYS 54 21.667 21.964 12.204
467 HG3 LYS 54 HG1 LYS 54 20.402 20.996 11.445
468 HD2 LYS 54 HD2 LYS 54 23.371 20.338 11.288
469 HD3 LYS 54 HD1 LYS 54 22.281 19.660 12.499
470 HE2 LYS 54 HE2 LYS 54 22.000 19.315 9.487
471 HE3 LYS 54 HE1 LYS 54 22.636 18.109 10.607
472 HZ1 LYS 54 HZ1 LYS 54 19.878 19.217 10.637
473 HZ2 LYS 54 HZ2 LYS 54 20.490 18.076 11.727
474 HZ3 LYS 54 HZ3 LYS 54 20.325 17.679 10.093
475 H GLU 55 HN GLU 55 18.971 23.873 11.618
476 HA GLU 55 HA GLU 55 20.217 26.309 12.560
477 HB2 GLU 55 HB2 GLU 55 17.758 26.105 12.409
478 HB3 GLU 55 HB1 GLU 55 17.777 24.751 13.534
479 HG2 GLU 55 HG2 GLU 55 18.602 26.256 15.314
480 HG3 GLU 55 HG1 GLU 55 18.560 27.611 14.184
481 H GLU 56 HN GLU 56 22.215 25.661 13.445
482 HA GLU 56 HA GLU 56 22.193 23.868 15.801
483 HB2 GLU 56 HB2 GLU 56 24.500 24.779 14.018
484 HB3 GLU 56 HB1 GLU 56 24.675 23.739 15.433
485 HG2 GLU 56 HG2 GLU 56 23.246 22.042 14.343
486 HG3 GLU 56 HG1 GLU 56 23.084 23.086 12.933
487 H1 ALA 1 HT1 ALA 1 5.229 11.885 15.666
488 H2 ALA 1 HT2 ALA 1 5.706 11.330 17.192
489 H3 ALA 1 HT3 ALA 1 6.870 11.838 16.074
490 HA ALA 1 HA ALA 1 4.806 13.555 17.322
491 HB1 ALA 1 HB1 ALA 1 7.804 13.454 17.822
492 HB2 ALA 1 HB2 ALA 1 6.552 12.891 18.930
493 HB3 ALA 1 HB3 ALA 1 6.672 14.606 18.541
494 H ARG 2 HN ARG 2 4.202 14.989 15.827
495 HA ARG 2 HA ARG 2 4.087 16.464 14.128
496 HB2 ARG 2 HB2 ARG 2 5.514 18.375 14.261
497 HB3 ARG 2 HB1 ARG 2 5.373 17.757 15.901
498 HG2 ARG 2 HG2 ARG 2 7.592 16.739 15.745
499 HG3 ARG 2 HG1 ARG 2 7.736 17.240 14.062
500 HD2 ARG 2 HD2 ARG 2 7.646 19.628 14.828
501 HD3 ARG 2 HD1 ARG 2 7.641 19.048 16.501
502 HE ARG 2 HE ARG 2 9.828 17.889 15.189
503 HH11 ARG 2 HH11 ARG 2 8.818 21.091 16.248
504 HH12 ARG 2 HH12 ARG 2 10.447 21.655 16.426
505 HH21 ARG 2 HH21 ARG 2 11.930 18.658 15.390
506 HH22 ARG 2 HH22 ARG 2 12.208 20.282 15.928
507 H THR 3 HN THR 3 5.264 13.875 13.357
508 HA THR 3 HA THR 3 7.550 14.324 11.667
509 HB THR 3 HB THR 3 7.259 11.867 11.078
510 HG1 THR 3 HG1 THR 3 5.190 11.360 11.416
511 HG21 THR 3 HG21 THR 3 7.406 12.513 14.052
512 HG22 THR 3 HG22 THR 3 8.758 12.551 12.919
513 HG23 THR 3 HG23 THR 3 7.964 11.019 13.288
514 H LYS 4 HN LYS 4 6.525 15.962 10.331
515 HA LYS 4 HA LYS 4 4.726 15.080 8.198
516 HB2 LYS 4 HB2 LYS 4 6.164 17.750 8.606
517 HB3 LYS 4 HB1 LYS 4 4.919 17.420 7.401
518 HG2 LYS 4 HG2 LYS 4 4.531 17.374 10.414
519 HG3 LYS 4 HG1 LYS 4 4.025 18.668 9.322
520 HD2 LYS 4 HD2 LYS 4 2.453 17.105 8.202
521 HD3 LYS 4 HD1 LYS 4 2.978 15.805 9.275
522 HE2 LYS 4 HE2 LYS 4 1.606 18.366 10.184
523 HE3 LYS 4 HE1 LYS 4 0.817 16.801 9.981
524 HZ1 LYS 4 HZ1 LYS 4 1.434 17.290 12.295
525 HZ2 LYS 4 HZ2 LYS 4 3.064 17.314 11.854
526 HZ3 LYS 4 HZ3 LYS 4 2.173 15.887 11.717
527 H GLN 5 HN GLN 5 8.115 15.798 8.789
528 HA GLN 5 HA GLN 5 9.120 15.381 6.198
529 HB2 GLN 5 HB2 GLN 5 11.316 14.817 7.321
530 HB3 GLN 5 HB1 GLN 5 10.635 16.367 7.773
531 HG2 GLN 5 HG2 GLN 5 10.364 13.890 9.495
532 HG3 GLN 5 HG1 GLN 5 11.725 14.993 9.627
533 HE21 GLN 5 HE21 GLN 5 9.968 17.395 9.167
534 HE22 GLN 5 HE22 GLN 5 9.137 17.616 10.665
535 H THR 6 HN THR 6 8.309 13.748 5.127
536 HA THR 6 HA THR 6 8.531 10.986 6.126
537 HB THR 6 HB THR 6 6.491 11.989 4.103
538 HG1 THR 6 HG1 THR 6 6.341 12.835 6.378
539 HG21 THR 6 HG21 THR 6 6.935 9.551 4.001
540 HG22 THR 6 HG22 THR 6 5.314 9.868 4.627
541 HG23 THR 6 HG23 THR 6 6.613 9.414 5.731
542 H ALA 7 HN ALA 7 9.144 9.405 4.611
543 HA ALA 7 HA ALA 7 10.294 10.234 2.060
544 HB1 ALA 7 HB1 ALA 7 12.012 10.758 3.781
545 HB2 ALA 7 HB2 ALA 7 12.533 9.506 2.662
546 HB3 ALA 7 HB3 ALA 7 12.001 9.066 4.283
547 H ARG 8 HN ARG 8 9.933 8.638 0.647
548 HA ARG 8 HA ARG 8 8.994 6.012 1.252
549 HB2 ARG 8 HB2 ARG 8 10.175 7.221 -1.279
550 HB3 ARG 8 HB1 ARG 8 9.458 5.613 -1.220
551 HG2 ARG 8 HG2 ARG 8 7.279 6.491 -0.841
552 HG3 ARG 8 HG1 ARG 8 7.897 8.105 -0.484
553 HD2 ARG 8 HD2 ARG 8 6.833 7.886 -2.745
554 HD3 ARG 8 HD1 ARG 8 8.505 8.457 -2.799
555 HE ARG 8 HE ARG 8 7.689 5.656 -3.363
556 HH11 ARG 8 HH11 ARG 8 9.675 8.449 -4.138
557 HH12 ARG 8 HH12 ARG 8 10.480 7.657 -5.452
558 HH21 ARG 8 HH21 ARG 8 8.784 4.619 -5.063
559 HH22 ARG 8 HH22 ARG 8 9.989 5.479 -5.972
560 H M3L 9 HN M3L 9 10.165 3.981 0.489
561 HA M3L 9 HA M3L 9 13.108 4.246 0.691
562 HB2 M3L 9 HB2 M3L 9 11.352 1.812 1.165
563 HB3 M3L 9 HB1 M3L 9 13.116 1.747 1.068
564 HG2 M3L 9 HG2 M3L 9 13.150 3.514 2.915
565 HG3 M3L 9 HG1 M3L 9 11.425 3.199 3.130
566 HD2 M3L 9 HD2 M3L 9 11.873 0.902 3.781
567 HD3 M3L 9 HD1 M3L 9 13.579 1.060 3.344
568 HE2 M3L 9 HE2 M3L 9 13.748 2.891 5.110
569 HE3 M3L 9 HE1 M3L 9 12.126 2.440 5.632
570 HM11 M3L 9 HH33 M3L 9 15.402 -0.277 6.133
571 HM12 M3L 9 HH31 M3L 9 15.673 1.311 5.408
572 HM13 M3L 9 HH32 M3L 9 14.800 0.064 4.510
573 HM21 M3L 9 HH11 M3L 9 12.460 -0.620 5.264
574 HM22 M3L 9 HH12 M3L 9 11.730 0.172 6.662
575 HM23 M3L 9 HH13 M3L 9 13.080 -0.942 6.886
576 HM31 M3L 9 HH21 M3L 9 14.358 0.843 8.118
577 HM32 M3L 9 HH22 M3L 9 12.999 1.949 7.906
578 HM33 M3L 9 HH23 M3L 9 14.615 2.423 7.372
579 H SER 10 HN SER 10 14.462 3.112 -0.720
580 HA SER 10 HA SER 10 13.912 3.673 -3.413
581 HB2 SER 10 HB2 SER 10 16.112 1.902 -2.257
582 HB3 SER 10 HB1 SER 10 16.098 2.606 -3.875
583 HG SER 10 HG SER 10 15.739 4.368 -1.761
584 H THR 11 HN THR 11 11.993 2.566 -3.982
585 HA THR 11 HA THR 11 12.478 -0.091 -5.102
586 HB THR 11 HB THR 11 9.900 0.467 -3.555
587 HG1 THR 11 HG1 THR 11 11.901 0.200 -2.220
588 HG21 THR 11 HG21 THR 11 11.009 -2.114 -4.719
589 HG22 THR 11 HG22 THR 11 9.663 -1.185 -5.378
590 HG23 THR 11 HG23 THR 11 9.511 -1.967 -3.800
591 H GLY 12 HN GLY 12 11.342 -0.393 -7.051
592 HA2 GLY 12 HA2 GLY 12 9.909 0.267 -8.834
593 HA3 GLY 12 HA1 GLY 12 9.772 1.872 -8.126
594 H GLY 13 HN GLY 13 12.953 1.128 -7.818
595 HA2 GLY 13 HA2 GLY 13 14.861 1.336 -9.116
596 HA3 GLY 13 HA1 GLY 13 13.873 1.630 -10.536
597 H LYS 14 HN LYS 14 14.002 3.614 -11.326
598 HA LYS 14 HA LYS 14 14.446 5.795 -11.671
599 HB2 LYS 14 HB2 LYS 14 13.542 6.174 -8.788
600 HB3 LYS 14 HB1 LYS 14 13.703 7.460 -9.978
601 HG2 LYS 14 HG2 LYS 14 11.718 5.168 -10.021
602 HG3 LYS 14 HG1 LYS 14 11.370 6.871 -9.714
603 HD2 LYS 14 HD2 LYS 14 12.357 5.692 -12.345
604 HD3 LYS 14 HD1 LYS 14 10.704 6.193 -11.991
605 HE2 LYS 14 HE2 LYS 14 13.115 8.051 -12.053
606 HE3 LYS 14 HE1 LYS 14 11.930 7.869 -13.346
607 HZ1 LYS 14 HZ1 LYS 14 11.495 9.803 -11.950
608 HZ2 LYS 14 HZ2 LYS 14 11.299 8.805 -10.599
609 HZ3 LYS 14 HZ3 LYS 14 10.225 8.693 -11.897
610 H ALA 15 HN ALA 15 16.532 4.003 -10.390
611 HA ALA 15 HA ALA 15 18.556 6.041 -9.823
612 HB1 ALA 15 HB1 ALA 15 19.349 4.858 -7.807
613 HB2 ALA 15 HB2 ALA 15 18.017 3.709 -7.950
614 HB3 ALA 15 HB3 ALA 15 17.680 5.405 -7.606
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 4.500 -3.228 -1.593
2 H2 GLY 1 HT2 GLY 1 5.186 -4.176 -2.812
3 H3 GLY 1 HT3 GLY 1 4.358 -2.761 -3.212
4 HA2 GLY 1 HA1 GLY 1 6.900 -2.951 -1.705
5 HA3 GLY 1 HA2 GLY 1 6.730 -2.399 -3.364
6 H GLU 2 HN GLU 2 7.907 -0.530 -2.384
7 HA GLU 2 HA GLU 2 8.098 1.616 -1.718
8 HB2 GLU 2 HB2 GLU 2 6.174 2.138 -3.162
9 HB3 GLU 2 HB1 GLU 2 5.061 1.675 -1.879
10 HG2 GLU 2 HG2 GLU 2 6.093 3.552 -0.476
11 HG3 GLU 2 HG1 GLU 2 6.900 4.094 -1.949
12 H GLN 3 HN GLN 3 8.992 1.410 0.265
13 HA GLN 3 HA GLN 3 7.267 1.107 2.650
14 HB2 GLN 3 HB2 GLN 3 10.237 0.582 2.214
15 HB3 GLN 3 HB1 GLN 3 9.537 0.696 3.822
16 HG2 GLN 3 HG2 GLN 3 9.712 -1.614 3.325
17 HG3 GLN 3 HG1 GLN 3 8.003 -1.213 3.197
18 HE21 GLN 3 HE21 GLN 3 10.904 -2.055 1.435
19 HE22 GLN 3 HE22 GLN 3 10.119 -2.544 -0.026
20 H VAL 4 HN VAL 4 6.603 3.125 3.191
21 HA VAL 4 HA VAL 4 8.617 5.257 3.602
22 HB VAL 4 HB VAL 4 6.698 6.821 3.853
23 HG11 VAL 4 HG11 VAL 4 7.723 6.570 1.636
24 HG12 VAL 4 HG12 VAL 4 5.996 6.893 1.480
25 HG13 VAL 4 HG13 VAL 4 6.610 5.254 1.245
26 HG21 VAL 4 HG21 VAL 4 4.968 5.294 4.695
27 HG22 VAL 4 HG22 VAL 4 4.924 4.443 3.151
28 HG23 VAL 4 HG23 VAL 4 4.383 6.121 3.249
29 H PHE 5 HN PHE 5 9.196 5.778 5.623
30 HA PHE 5 HA PHE 5 7.604 4.867 7.944
31 HB2 PHE 5 HB2 PHE 5 10.606 4.530 7.502
32 HB3 PHE 5 HB1 PHE 5 9.894 4.476 9.110
33 HD1 PHE 5 HD2 PHE 5 9.663 2.809 5.741
34 HD2 PHE 5 HD1 PHE 5 9.092 2.420 9.960
35 HE1 PHE 5 HE2 PHE 5 9.190 0.413 5.465
36 HE2 PHE 5 HE1 PHE 5 8.626 0.023 9.665
37 HZ PHE 5 HZ PHE 5 8.672 -0.980 7.423
38 H ALA 6 HN ALA 6 8.118 6.045 9.923
39 HA ALA 6 HA ALA 6 8.244 8.866 9.630
40 HB1 ALA 6 HB1 ALA 6 8.324 8.915 12.101
41 HB2 ALA 6 HB2 ALA 6 8.619 7.174 12.136
42 HB3 ALA 6 HB3 ALA 6 7.082 7.799 11.533
43 H VAL 7 HN VAL 7 10.040 9.933 9.080
44 HA VAL 7 HA VAL 7 12.709 8.863 9.428
45 HB VAL 7 HB VAL 7 13.499 10.818 8.229
46 HG11 VAL 7 HG11 VAL 7 12.174 10.717 6.126
47 HG12 VAL 7 HG12 VAL 7 10.877 9.881 6.986
48 HG13 VAL 7 HG13 VAL 7 12.455 9.112 6.804
49 HG21 VAL 7 HG21 VAL 7 11.959 12.707 7.597
50 HG22 VAL 7 HG22 VAL 7 12.265 12.598 9.328
51 HG23 VAL 7 HG23 VAL 7 10.735 12.018 8.667
52 H GLU 8 HN GLU 8 14.344 9.779 10.733
53 HA GLU 8 HA GLU 8 13.668 11.648 12.849
54 HB2 GLU 8 HB2 GLU 8 15.304 9.816 13.271
55 HB3 GLU 8 HB1 GLU 8 16.353 10.460 12.014
56 HG2 GLU 8 HG2 GLU 8 16.602 12.561 13.349
57 HG3 GLU 8 HG1 GLU 8 15.623 11.830 14.620
58 H SER 9 HN SER 9 16.176 11.582 10.329
59 HA SER 9 HA SER 9 15.555 14.100 9.121
60 HB2 SER 9 HB2 SER 9 18.041 13.956 10.908
61 HB3 SER 9 HB1 SER 9 17.732 15.243 9.750
62 HG SER 9 HG SER 9 15.662 15.468 11.035
63 H ILE 10 HN ILE 10 17.847 14.629 7.746
64 HA ILE 10 HA ILE 10 18.847 12.107 6.616
65 HB ILE 10 HB ILE 10 19.614 14.982 5.901
66 HG12 ILE 10 HG12 ILE 10 17.257 14.653 5.362
67 HG13 ILE 10 HG11 ILE 10 18.183 14.683 3.871
68 HG21 ILE 10 HG21 ILE 10 20.567 14.010 3.834
69 HG22 ILE 10 HG22 ILE 10 20.196 12.388 4.426
70 HG23 ILE 10 HG23 ILE 10 21.365 13.394 5.285
71 HD11 ILE 10 HD11 ILE 10 17.039 12.251 5.239
72 HD12 ILE 10 HD12 ILE 10 18.045 12.210 3.788
73 HD13 ILE 10 HD13 ILE 10 16.474 13.010 3.752
74 H ARG 11 HN ARG 11 20.800 11.288 7.170
75 HA ARG 11 HA ARG 11 22.271 12.418 9.414
76 HB2 ARG 11 HB2 ARG 11 21.543 9.862 8.999
77 HB3 ARG 11 HB1 ARG 11 23.050 9.796 8.100
78 HG2 ARG 11 HG2 ARG 11 22.715 10.462 11.056
79 HG3 ARG 11 HG1 ARG 11 23.353 8.962 10.386
80 HD2 ARG 11 HD2 ARG 11 25.301 10.202 9.492
81 HD3 ARG 11 HD1 ARG 11 24.648 11.705 10.154
82 HE ARG 11 HE ARG 11 24.928 9.766 12.210
83 HH11 ARG 11 HH11 ARG 11 26.884 11.923 10.241
84 HH12 ARG 11 HH12 ARG 11 28.168 12.017 11.397
85 HH21 ARG 11 HH21 ARG 11 26.617 9.923 13.724
86 HH22 ARG 11 HH22 ARG 11 28.010 10.893 13.379
87 H LYS 12 HN LYS 12 22.978 11.162 6.126
88 HA LYS 12 HA LYS 12 25.178 13.103 5.800
89 HB2 LYS 12 HB2 LYS 12 25.405 10.090 5.394
90 HB3 LYS 12 HB1 LYS 12 26.519 11.229 4.641
91 HG2 LYS 12 HG2 LYS 12 27.199 12.024 6.902
92 HG3 LYS 12 HG1 LYS 12 26.123 10.821 7.625
93 HD2 LYS 12 HD2 LYS 12 27.425 9.004 6.618
94 HD3 LYS 12 HD1 LYS 12 28.454 10.166 5.774
95 HE2 LYS 12 HE2 LYS 12 29.308 10.987 7.935
96 HE3 LYS 12 HE1 LYS 12 28.260 9.854 8.795
97 HZ1 LYS 12 HZ1 LYS 12 30.470 9.128 6.944
98 HZ2 LYS 12 HZ2 LYS 12 29.450 8.031 7.725
99 HZ3 LYS 12 HZ3 LYS 12 30.493 9.001 8.630
100 H LYS 13 HN LYS 13 26.039 12.673 3.339
101 HA LYS 13 HA LYS 13 23.842 12.560 1.464
102 HB2 LYS 13 HB2 LYS 13 23.459 14.802 2.441
103 HB3 LYS 13 HB1 LYS 13 25.141 15.244 2.167
104 HG2 LYS 13 HG2 LYS 13 24.757 15.090 -0.293
105 HG3 LYS 13 HG1 LYS 13 23.060 14.696 0.013
106 HD2 LYS 13 HD2 LYS 13 22.748 16.901 1.106
107 HD3 LYS 13 HD1 LYS 13 24.447 17.294 0.815
108 HE2 LYS 13 HE2 LYS 13 24.068 17.243 -1.610
109 HE3 LYS 13 HE1 LYS 13 22.395 16.737 -1.362
110 HZ1 LYS 13 HZ1 LYS 13 22.590 19.099 -1.824
111 HZ2 LYS 13 HZ2 LYS 13 23.552 19.305 -0.447
112 HZ3 LYS 13 HZ3 LYS 13 21.942 18.820 -0.290
113 H ARG 14 HN ARG 14 24.592 12.452 -0.643
114 HA ARG 14 HA ARG 14 27.330 12.911 -1.416
115 HB2 ARG 14 HB2 ARG 14 27.936 10.595 -1.914
116 HB3 ARG 14 HB1 ARG 14 27.491 10.703 -0.211
117 HG2 ARG 14 HG2 ARG 14 25.194 9.842 -0.840
118 HG3 ARG 14 HG1 ARG 14 25.811 9.559 -2.474
119 HD2 ARG 14 HD2 ARG 14 26.916 8.333 0.077
120 HD3 ARG 14 HD1 ARG 14 25.833 7.516 -1.057
121 HE ARG 14 HE ARG 14 28.621 8.339 -1.639
122 HH11 ARG 14 HH11 ARG 14 25.874 6.264 -2.382
123 HH12 ARG 14 HH12 ARG 14 26.813 5.195 -3.369
124 HH21 ARG 14 HH21 ARG 14 29.805 6.967 -2.976
125 HH22 ARG 14 HH22 ARG 14 29.044 5.588 -3.700
126 H VAL 15 HN VAL 15 27.542 11.699 -3.727
127 HA VAL 15 HA VAL 15 25.003 11.630 -5.186
128 HB VAL 15 HB VAL 15 25.713 13.929 -5.540
129 HG11 VAL 15 HG11 VAL 15 28.097 13.751 -5.005
130 HG12 VAL 15 HG12 VAL 15 27.881 14.558 -6.559
131 HG13 VAL 15 HG13 VAL 15 28.391 12.867 -6.506
132 HG21 VAL 15 HG21 VAL 15 24.691 12.796 -7.477
133 HG22 VAL 15 HG22 VAL 15 26.287 12.305 -8.046
134 HG23 VAL 15 HG23 VAL 15 25.855 14.016 -8.005
135 H ARG 16 HN ARG 16 24.983 10.063 -6.707
136 HA ARG 16 HA ARG 16 27.401 8.465 -7.218
137 HB2 ARG 16 HB2 ARG 16 26.179 7.496 -5.251
138 HB3 ARG 16 HB1 ARG 16 24.729 7.352 -6.233
139 HG2 ARG 16 HG2 ARG 16 25.824 5.186 -6.054
140 HG3 ARG 16 HG1 ARG 16 25.905 5.750 -7.727
141 HD2 ARG 16 HD2 ARG 16 28.237 6.562 -7.273
142 HD3 ARG 16 HD1 ARG 16 28.130 5.843 -5.661
143 HE ARG 16 HE ARG 16 27.526 3.874 -7.586
144 HH11 ARG 16 HH11 ARG 16 30.296 5.731 -6.487
145 HH12 ARG 16 HH12 ARG 16 31.436 4.490 -6.881
146 HH21 ARG 16 HH21 ARG 16 29.029 2.285 -8.140
147 HH22 ARG 16 HH22 ARG 16 30.717 2.523 -7.829
148 H LYS 17 HN LYS 17 27.568 8.690 -9.353
149 HA LYS 17 HA LYS 17 27.184 8.797 -11.570
150 HB2 LYS 17 HB2 LYS 17 25.039 6.725 -10.915
151 HB3 LYS 17 HB1 LYS 17 25.613 7.089 -12.541
152 HG2 LYS 17 HG2 LYS 17 27.248 5.899 -10.271
153 HG3 LYS 17 HG1 LYS 17 26.665 5.052 -11.713
154 HD2 LYS 17 HD2 LYS 17 28.091 6.556 -13.122
155 HD3 LYS 17 HD1 LYS 17 28.692 7.325 -11.648
156 HE2 LYS 17 HE2 LYS 17 30.330 5.723 -12.404
157 HE3 LYS 17 HE1 LYS 17 29.599 5.104 -10.925
158 HZ1 LYS 17 HZ1 LYS 17 28.208 3.652 -12.266
159 HZ2 LYS 17 HZ2 LYS 17 29.842 3.385 -12.602
160 HZ3 LYS 17 HZ3 LYS 17 28.890 4.263 -13.686
161 H GLY 18 HN GLY 18 26.045 10.859 -10.128
162 HA2 GLY 18 HA2 GLY 18 24.953 12.784 -10.913
163 HA3 GLY 18 HA1 GLY 18 23.995 11.809 -12.012
164 H LYS 19 HN LYS 19 23.479 9.993 -9.511
165 HA LYS 19 HA LYS 19 21.062 11.391 -8.649
166 HB2 LYS 19 HB2 LYS 19 22.080 8.543 -8.351
167 HB3 LYS 19 HB1 LYS 19 20.764 9.118 -7.326
168 HG2 LYS 19 HG2 LYS 19 20.752 9.062 -10.363
169 HG3 LYS 19 HG1 LYS 19 19.896 7.944 -9.290
170 HD2 LYS 19 HD2 LYS 19 18.611 9.888 -8.366
171 HD3 LYS 19 HD1 LYS 19 19.417 10.943 -9.530
172 HE2 LYS 19 HE2 LYS 19 18.377 9.668 -11.382
173 HE3 LYS 19 HE1 LYS 19 17.564 8.629 -10.203
174 HZ1 LYS 19 HZ1 LYS 19 17.135 11.497 -10.735
175 HZ2 LYS 19 HZ2 LYS 19 16.661 10.811 -9.269
176 HZ3 LYS 19 HZ3 LYS 19 16.002 10.245 -10.725
177 H VAL 20 HN VAL 20 21.240 12.795 -7.057
178 HA VAL 20 HA VAL 20 23.288 12.715 -5.045
179 HB VAL 20 HB VAL 20 20.794 14.479 -5.184
180 HG11 VAL 20 HG11 VAL 20 21.766 14.442 -2.918
181 HG12 VAL 20 HG12 VAL 20 22.042 16.010 -3.679
182 HG13 VAL 20 HG13 VAL 20 23.358 14.838 -3.577
183 HG21 VAL 20 HG21 VAL 20 23.610 15.071 -6.178
184 HG22 VAL 20 HG22 VAL 20 22.251 16.198 -6.187
185 HG23 VAL 20 HG23 VAL 20 22.203 14.751 -7.198
186 H GLU 21 HN GLU 21 23.184 11.317 -3.406
187 HA GLU 21 HA GLU 21 20.610 10.169 -2.565
188 HB2 GLU 21 HB2 GLU 21 23.409 9.093 -2.040
189 HB3 GLU 21 HB1 GLU 21 21.880 8.283 -1.695
190 HG2 GLU 21 HG2 GLU 21 21.433 8.363 -4.208
191 HG3 GLU 21 HG1 GLU 21 23.114 8.865 -4.397
192 H TYR 22 HN TYR 22 20.081 9.971 -0.425
193 HA TYR 22 HA TYR 22 21.548 11.654 1.525
194 HB2 TYR 22 HB2 TYR 22 18.522 11.470 1.091
195 HB3 TYR 22 HB1 TYR 22 19.307 12.375 2.380
196 HD1 TYR 22 HD2 TYR 22 18.627 12.294 -1.259
197 HD2 TYR 22 HD1 TYR 22 20.396 14.522 1.932
198 HE1 TYR 22 HE2 TYR 22 18.814 14.248 -2.727
199 HE2 TYR 22 HE1 TYR 22 20.576 16.475 0.460
200 HH TYR 22 HH TYR 22 18.977 16.707 -2.515
201 H LEU 23 HN LEU 23 22.199 10.353 3.163
202 HA LEU 23 HA LEU 23 21.136 7.755 3.704
203 HB2 LEU 23 HB2 LEU 23 23.511 8.475 4.173
204 HB3 LEU 23 HB1 LEU 23 22.910 9.498 5.465
205 HG LEU 23 HG LEU 23 22.094 7.470 6.673
206 HD11 LEU 23 HD11 LEU 23 22.757 5.232 5.936
207 HD12 LEU 23 HD12 LEU 23 23.435 5.902 4.451
208 HD13 LEU 23 HD13 LEU 23 21.698 5.999 4.753
209 HD21 LEU 23 HD21 LEU 23 24.319 8.369 7.204
210 HD22 LEU 23 HD22 LEU 23 25.043 7.361 5.947
211 HD23 LEU 23 HD23 LEU 23 24.297 6.611 7.363
212 H VAL 24 HN VAL 24 18.901 8.207 3.957
213 HA VAL 24 HA VAL 24 17.839 10.097 5.766
214 HB VAL 24 HB VAL 24 16.410 7.583 4.788
215 HG11 VAL 24 HG11 VAL 24 14.344 8.925 5.068
216 HG12 VAL 24 HG12 VAL 24 15.300 10.277 5.681
217 HG13 VAL 24 HG13 VAL 24 15.220 8.767 6.594
218 HG21 VAL 24 HG21 VAL 24 17.344 8.743 2.841
219 HG22 VAL 24 HG22 VAL 24 16.621 10.264 3.373
220 HG23 VAL 24 HG23 VAL 24 15.586 8.921 2.878
221 H LYS 25 HN LYS 25 18.340 9.973 7.859
222 HA LYS 25 HA LYS 25 18.577 7.501 9.342
223 HB2 LYS 25 HB2 LYS 25 19.709 9.935 9.748
224 HB3 LYS 25 HB1 LYS 25 18.272 10.183 10.725
225 HG2 LYS 25 HG2 LYS 25 20.426 8.071 11.131
226 HG3 LYS 25 HG1 LYS 25 20.115 9.491 12.134
227 HD2 LYS 25 HD2 LYS 25 17.852 8.497 12.676
228 HD3 LYS 25 HD1 LYS 25 18.348 7.038 11.817
229 HE2 LYS 25 HE2 LYS 25 18.668 6.744 14.208
230 HE3 LYS 25 HE1 LYS 25 20.238 6.780 13.410
231 HZ1 LYS 25 HZ1 LYS 25 18.998 9.104 14.787
232 HZ2 LYS 25 HZ2 LYS 25 20.552 9.034 14.134
233 HZ3 LYS 25 HZ3 LYS 25 20.151 8.092 15.474
234 H TRP 26 HN TRP 26 16.823 6.419 10.030
235 HA TRP 26 HA TRP 26 14.181 7.689 9.945
236 HB2 TRP 26 HB2 TRP 26 14.835 4.744 10.391
237 HB3 TRP 26 HB1 TRP 26 13.277 5.433 9.948
238 HD1 TRP 26 HD1 TRP 26 16.602 4.348 8.472
239 HE1 TRP 26 HE1 TRP 26 16.475 4.381 5.904
240 HE3 TRP 26 HE3 TRP 26 12.077 6.657 7.900
241 HZ2 TRP 26 HZ2 TRP 26 14.721 5.266 3.901
242 HZ3 TRP 26 HZ3 TRP 26 11.240 7.052 5.615
243 HH2 TRP 26 HH2 TRP 26 12.537 6.371 3.654
244 H LYS 27 HN LYS 27 12.701 7.445 11.764
245 HA LYS 27 HA LYS 27 13.869 8.569 14.061
246 HB2 LYS 27 HB2 LYS 27 11.624 9.152 13.262
247 HB3 LYS 27 HB1 LYS 27 11.046 7.528 13.608
248 HG2 LYS 27 HG2 LYS 27 10.278 9.136 15.290
249 HG3 LYS 27 HG1 LYS 27 11.317 7.905 16.007
250 HD2 LYS 27 HD2 LYS 27 11.796 10.161 16.913
251 HD3 LYS 27 HD1 LYS 27 13.196 9.483 16.083
252 HE2 LYS 27 HE2 LYS 27 12.904 11.871 15.570
253 HE3 LYS 27 HE1 LYS 27 12.723 10.877 14.127
254 HZ1 LYS 27 HZ1 LYS 27 10.502 12.024 15.718
255 HZ2 LYS 27 HZ2 LYS 27 10.338 11.089 14.315
256 HZ3 LYS 27 HZ3 LYS 27 11.062 12.613 14.240
257 H GLY 28 HN GLY 28 12.276 5.380 13.691
258 HA2 GLY 28 HA2 GLY 28 13.056 4.618 16.423
259 HA3 GLY 28 HA1 GLY 28 11.977 3.745 15.357
260 H TRP 29 HN TRP 29 14.828 4.647 13.739
261 HA TRP 29 HA TRP 29 15.853 1.873 13.927
262 HB2 TRP 29 HB2 TRP 29 15.660 3.614 11.415
263 HB3 TRP 29 HB1 TRP 29 16.247 1.954 11.483
264 HD1 TRP 29 HD1 TRP 29 12.915 3.901 12.091
265 HE1 TRP 29 HE1 TRP 29 10.951 2.361 11.507
266 HE3 TRP 29 HE3 TRP 29 15.520 -0.349 10.918
267 HZ2 TRP 29 HZ2 TRP 29 10.541 -0.287 10.655
268 HZ3 TRP 29 HZ3 TRP 29 14.257 -2.338 10.205
269 HH2 TRP 29 HH2 TRP 29 11.812 -2.308 10.073
270 HA PRO 30 HA PRO 30 19.721 3.989 14.961
271 HB2 PRO 30 HB2 PRO 30 21.464 1.866 14.633
272 HB3 PRO 30 HB1 PRO 30 20.392 2.041 16.029
273 HG2 PRO 30 HG2 PRO 30 20.005 0.405 13.537
274 HG3 PRO 30 HG1 PRO 30 19.736 -0.062 15.228
275 HD2 PRO 30 HD2 PRO 30 17.686 0.659 13.629
276 HD3 PRO 30 HD1 PRO 30 17.701 1.083 15.357
277 HA PRO 31 HA PRO 31 21.657 5.454 11.214
278 HB2 PRO 31 HB2 PRO 31 24.396 5.210 12.408
279 HB3 PRO 31 HB1 PRO 31 23.532 6.648 11.842
280 HG2 PRO 31 HG2 PRO 31 23.860 6.195 14.454
281 HG3 PRO 31 HG1 PRO 31 22.340 6.880 13.838
282 HD2 PRO 31 HD2 PRO 31 22.948 4.025 14.630
283 HD3 PRO 31 HD1 PRO 31 21.535 5.027 15.036
284 H LYS 32 HN LYS 32 22.418 2.239 12.152
285 HA LYS 32 HA LYS 32 23.818 1.680 9.634
286 HB2 LYS 32 HB2 LYS 32 23.823 -0.694 10.391
287 HB3 LYS 32 HB1 LYS 32 24.591 0.406 11.530
288 HG2 LYS 32 HG2 LYS 32 22.569 0.360 12.942
289 HG3 LYS 32 HG1 LYS 32 21.797 -0.750 11.802
290 HD2 LYS 32 HD2 LYS 32 23.534 -2.438 12.250
291 HD3 LYS 32 HD1 LYS 32 24.362 -1.325 13.346
292 HE2 LYS 32 HE2 LYS 32 22.379 -1.347 14.837
293 HE3 LYS 32 HE1 LYS 32 21.576 -2.475 13.742
294 HZ1 LYS 32 HZ1 LYS 32 23.340 -4.072 14.167
295 HZ2 LYS 32 HZ2 LYS 32 22.577 -3.617 15.602
296 HZ3 LYS 32 HZ3 LYS 32 24.095 -2.986 15.220
297 H TYR 33 HN TYR 33 20.593 1.378 11.013
298 HA TYR 33 HA TYR 33 19.482 0.047 8.655
299 HB2 TYR 33 HB2 TYR 33 18.291 0.966 11.294
300 HB3 TYR 33 HB1 TYR 33 17.253 0.487 9.958
301 HD1 TYR 33 HD2 TYR 33 19.905 -0.764 12.258
302 HD2 TYR 33 HD1 TYR 33 16.858 -1.839 9.478
303 HE1 TYR 33 HE2 TYR 33 20.131 -3.113 12.924
304 HE2 TYR 33 HE1 TYR 33 17.092 -4.192 10.136
305 HH TYR 33 HH TYR 33 18.817 -5.671 11.155
306 H SER 34 HN SER 34 20.339 3.216 9.379
307 HA SER 34 HA SER 34 18.382 4.619 7.832
308 HB2 SER 34 HB2 SER 34 20.112 6.426 7.755
309 HB3 SER 34 HB1 SER 34 19.854 5.821 9.394
310 HG SER 34 HG SER 34 21.990 5.199 7.636
311 H THR 35 HN THR 35 18.456 5.156 5.588
312 HA THR 35 HA THR 35 20.264 3.460 3.944
313 HB THR 35 HB THR 35 18.260 2.995 2.458
314 HG1 THR 35 HG1 THR 35 16.611 4.249 2.903
315 HG21 THR 35 HG21 THR 35 19.028 1.282 4.075
316 HG22 THR 35 HG22 THR 35 17.272 1.240 3.896
317 HG23 THR 35 HG23 THR 35 17.997 1.994 5.318
318 H TRP 36 HN TRP 36 20.920 4.270 1.976
319 HA TRP 36 HA TRP 36 20.873 7.126 1.579
320 HB2 TRP 36 HB2 TRP 36 22.136 4.898 -0.088
321 HB3 TRP 36 HB1 TRP 36 22.330 6.612 -0.424
322 HD1 TRP 36 HD1 TRP 36 23.678 3.844 1.781
323 HE1 TRP 36 HE1 TRP 36 25.667 4.749 3.133
324 HE3 TRP 36 HE3 TRP 36 23.148 8.830 0.759
325 HZ2 TRP 36 HZ2 TRP 36 26.860 7.243 3.693
326 HZ3 TRP 36 HZ3 TRP 36 24.755 10.414 1.750
327 HH2 TRP 36 HH2 TRP 36 26.573 9.635 3.188
328 H GLU 37 HN GLU 37 18.649 7.466 1.188
329 HA GLU 37 HA GLU 37 17.490 6.469 -1.308
330 HB2 GLU 37 HB2 GLU 37 16.290 8.151 0.925
331 HB3 GLU 37 HB1 GLU 37 15.406 7.539 -0.469
332 HG2 GLU 37 HG2 GLU 37 16.520 6.015 1.896
333 HG3 GLU 37 HG1 GLU 37 14.858 6.085 1.309
334 HA PRO 38 HA PRO 38 19.118 10.201 -3.413
335 HB2 PRO 38 HB2 PRO 38 17.199 9.111 -5.481
336 HB3 PRO 38 HB1 PRO 38 18.857 9.705 -5.687
337 HG2 PRO 38 HG2 PRO 38 18.412 7.096 -5.665
338 HG3 PRO 38 HG1 PRO 38 19.805 7.746 -4.769
339 HD2 PRO 38 HD2 PRO 38 17.127 6.831 -3.715
340 HD3 PRO 38 HD1 PRO 38 18.756 6.562 -3.049
341 H GLU 39 HN GLU 39 18.117 12.000 -4.685
342 HA GLU 39 HA GLU 39 16.388 13.459 -3.065
343 HB2 GLU 39 HB2 GLU 39 16.480 15.213 -4.741
344 HB3 GLU 39 HB1 GLU 39 18.057 14.446 -4.642
345 HG2 GLU 39 HG2 GLU 39 16.007 13.973 -6.835
346 HG3 GLU 39 HG1 GLU 39 17.416 15.017 -6.957
347 H GLU 40 HN GLU 40 15.596 11.458 -5.887
348 HA GLU 40 HA GLU 40 12.898 12.357 -6.214
349 HB2 GLU 40 HB2 GLU 40 14.184 9.738 -7.091
350 HB3 GLU 40 HB1 GLU 40 12.590 10.291 -7.602
351 HG2 GLU 40 HG2 GLU 40 15.272 11.563 -8.243
352 HG3 GLU 40 HG1 GLU 40 14.191 10.730 -9.362
353 H HIS 41 HN HIS 41 14.420 9.990 -4.149
354 HA HIS 41 HA HIS 41 11.983 8.689 -3.278
355 HB2 HIS 41 HB2 HIS 41 14.839 8.593 -2.224
356 HB3 HIS 41 HB1 HIS 41 13.515 7.668 -1.519
357 HD1 HIS 41 HD1 HIS 41 13.888 5.328 -2.184
358 HD2 HIS 41 HD2 HIS 41 14.598 7.930 -5.348
359 HE1 HIS 41 HE1 HIS 41 14.358 3.860 -4.166
360 HE2 HIS 41 HE2 HIS 41 14.608 5.454 -6.098
361 H ILE 42 HN ILE 42 14.032 11.308 -2.149
362 HA ILE 42 HA ILE 42 12.624 11.851 0.298
363 HB ILE 42 HB ILE 42 14.232 13.819 -1.415
364 HG12 ILE 42 HG12 ILE 42 15.646 11.850 -0.927
365 HG13 ILE 42 HG11 ILE 42 16.212 13.256 -0.037
366 HG21 ILE 42 HG21 ILE 42 14.561 15.051 0.684
367 HG22 ILE 42 HG22 ILE 42 13.588 13.874 1.562
368 HG23 ILE 42 HG23 ILE 42 12.847 14.885 0.318
369 HD11 ILE 42 HD11 ILE 42 14.608 10.965 1.088
370 HD12 ILE 42 HD12 ILE 42 15.153 12.381 1.993
371 HD13 ILE 42 HD13 ILE 42 16.332 11.261 1.310
372 H LEU 43 HN LEU 43 10.502 12.561 0.337
373 HA LEU 43 HA LEU 43 9.500 14.133 -1.995
374 HB2 LEU 43 HB2 LEU 43 7.208 13.429 -1.225
375 HB3 LEU 43 HB1 LEU 43 8.204 12.165 -1.901
376 HG LEU 43 HG LEU 43 8.257 12.405 1.094
377 HD11 LEU 43 HD11 LEU 43 5.863 12.740 0.642
378 HD12 LEU 43 HD12 LEU 43 6.189 11.191 1.414
379 HD13 LEU 43 HD13 LEU 43 5.836 11.255 -0.317
380 HD21 LEU 43 HD21 LEU 43 8.050 10.018 -0.771
381 HD22 LEU 43 HD22 LEU 43 8.315 9.966 0.976
382 HD23 LEU 43 HD23 LEU 43 9.544 10.663 -0.078
383 H ASP 44 HN ASP 44 10.874 14.985 0.651
384 HA ASP 44 HA ASP 44 8.973 17.173 1.262
385 HB2 ASP 44 HB2 ASP 44 8.916 15.377 3.083
386 HB3 ASP 44 HB1 ASP 44 10.612 15.728 3.400
387 HA PRO 45 HA PRO 45 12.721 19.583 0.321
388 HB2 PRO 45 HB2 PRO 45 11.789 21.996 1.395
389 HB3 PRO 45 HB1 PRO 45 11.453 21.429 -0.246
390 HG2 PRO 45 HG2 PRO 45 9.742 21.204 2.227
391 HG3 PRO 45 HG1 PRO 45 9.263 21.628 0.570
392 HD2 PRO 45 HD2 PRO 45 8.823 19.164 1.532
393 HD3 PRO 45 HD1 PRO 45 9.334 19.392 -0.160
394 H ARG 46 HN ARG 46 11.149 20.123 3.506
395 HA ARG 46 HA ARG 46 13.538 21.163 4.703
396 HB2 ARG 46 HB2 ARG 46 10.823 20.439 5.852
397 HB3 ARG 46 HB1 ARG 46 12.121 21.121 6.837
398 HG2 ARG 46 HG2 ARG 46 12.173 23.132 5.429
399 HG3 ARG 46 HG1 ARG 46 10.932 22.449 4.375
400 HD2 ARG 46 HD2 ARG 46 9.298 22.520 6.203
401 HD3 ARG 46 HD1 ARG 46 10.538 23.109 7.318
402 HE ARG 46 HE ARG 46 10.360 25.210 6.412
403 HH11 ARG 46 HH11 ARG 46 8.595 22.992 4.329
404 HH12 ARG 46 HH12 ARG 46 7.911 24.258 3.364
405 HH21 ARG 46 HH21 ARG 46 9.458 26.851 5.157
406 HH22 ARG 46 HH22 ARG 46 8.387 26.462 3.845
407 H LEU 47 HN LEU 47 12.341 17.929 4.370
408 HA LEU 47 HA LEU 47 13.716 16.612 6.431
409 HB2 LEU 47 HB2 LEU 47 12.173 15.457 4.930
410 HB3 LEU 47 HB1 LEU 47 13.214 15.758 3.550
411 HG LEU 47 HG LEU 47 14.874 14.171 4.370
412 HD11 LEU 47 HD11 LEU 47 13.152 13.856 6.838
413 HD12 LEU 47 HD12 LEU 47 14.785 14.525 6.756
414 HD13 LEU 47 HD13 LEU 47 14.513 12.819 6.406
415 HD21 LEU 47 HD21 LEU 47 12.090 12.967 4.542
416 HD22 LEU 47 HD22 LEU 47 13.587 12.073 4.267
417 HD23 LEU 47 HD23 LEU 47 13.021 13.227 3.063
418 H VAL 48 HN VAL 48 14.876 17.708 3.274
419 HA VAL 48 HA VAL 48 17.662 17.012 3.737
420 HB VAL 48 HB VAL 48 16.195 18.413 1.464
421 HG11 VAL 48 HG11 VAL 48 19.163 17.771 1.581
422 HG12 VAL 48 HG12 VAL 48 18.443 19.383 1.522
423 HG13 VAL 48 HG13 VAL 48 18.295 18.298 0.137
424 HG21 VAL 48 HG21 VAL 48 15.799 15.982 1.659
425 HG22 VAL 48 HG22 VAL 48 17.538 15.690 1.581
426 HG23 VAL 48 HG23 VAL 48 16.695 16.369 0.186
427 H MET 49 HN MET 49 15.703 19.960 3.450
428 HA MET 49 HA MET 49 17.806 21.832 3.416
429 HB2 MET 49 HB2 MET 49 14.875 22.245 4.156
430 HB3 MET 49 HB1 MET 49 16.029 23.549 3.847
431 HG2 MET 49 HG2 MET 49 15.040 21.477 1.882
432 HG3 MET 49 HG1 MET 49 14.655 23.195 1.898
433 HE1 MET 49 HE1 MET 49 15.276 23.106 -0.770
434 HE2 MET 49 HE2 MET 49 15.754 21.413 -0.623
435 HE3 MET 49 HE3 MET 49 16.851 22.578 -1.365
436 H ALA 50 HN ALA 50 15.909 20.541 6.123
437 HA ALA 50 HA ALA 50 16.811 22.341 8.134
438 HB1 ALA 50 HB1 ALA 50 15.848 19.481 8.456
439 HB2 ALA 50 HB2 ALA 50 14.826 20.917 8.445
440 HB3 ALA 50 HB3 ALA 50 15.989 20.676 9.751
441 H TYR 51 HN TYR 51 17.953 19.134 7.111
442 HA TYR 51 HA TYR 51 19.980 18.648 8.950
443 HB2 TYR 51 HB2 TYR 51 19.373 16.840 7.567
444 HB3 TYR 51 HB1 TYR 51 19.464 17.796 6.096
445 HD1 TYR 51 HD1 TYR 51 21.904 16.828 8.837
446 HD2 TYR 51 HD2 TYR 51 21.130 17.048 4.633
447 HE1 TYR 51 HE1 TYR 51 24.127 15.892 8.364
448 HE2 TYR 51 HE2 TYR 51 23.342 16.110 4.173
449 HH TYR 51 HH TYR 51 25.272 14.681 6.562
450 H GLU 52 HN GLU 52 20.248 20.283 5.778
451 HA GLU 52 HA GLU 52 23.056 20.930 6.187
452 HB2 GLU 52 HB2 GLU 52 21.142 21.596 3.911
453 HB3 GLU 52 HB1 GLU 52 22.869 21.969 3.915
454 HG2 GLU 52 HG2 GLU 52 23.397 19.568 4.078
455 HG3 GLU 52 HG1 GLU 52 21.675 19.178 4.076
456 H GLU 53 HN GLU 53 20.263 22.354 7.291
457 HA GLU 53 HA GLU 53 19.587 24.371 8.029
458 HB2 GLU 53 HB2 GLU 53 22.582 24.921 8.021
459 HB3 GLU 53 HB1 GLU 53 21.411 26.077 8.648
460 HG2 GLU 53 HG2 GLU 53 21.840 23.255 9.698
461 HG3 GLU 53 HG1 GLU 53 22.479 24.726 10.431
462 H LYS 54 HN LYS 54 19.732 23.815 5.186
463 HA LYS 54 HA LYS 54 20.335 26.244 3.773
464 HB2 LYS 54 HB2 LYS 54 20.659 24.020 2.709
465 HB3 LYS 54 HB1 LYS 54 18.936 23.696 2.841
466 HG2 LYS 54 HG2 LYS 54 19.491 24.341 0.554
467 HG3 LYS 54 HG1 LYS 54 18.454 25.562 1.290
468 HD2 LYS 54 HD2 LYS 54 20.186 26.693 0.031
469 HD3 LYS 54 HD1 LYS 54 20.491 26.956 1.745
470 HE2 LYS 54 HE2 LYS 54 22.180 25.114 1.671
471 HE3 LYS 54 HE1 LYS 54 21.936 24.995 -0.069
472 HZ1 LYS 54 HZ1 LYS 54 22.658 27.306 -0.263
473 HZ2 LYS 54 HZ2 LYS 54 23.848 26.323 0.427
474 HZ3 LYS 54 HZ3 LYS 54 22.943 27.362 1.405
475 H GLU 55 HN GLU 55 18.975 27.674 5.023
476 HA GLU 55 HA GLU 55 16.116 27.700 4.373
477 HB2 GLU 55 HB2 GLU 55 17.870 29.567 6.030
478 HB3 GLU 55 HB1 GLU 55 16.167 29.890 5.703
479 HG2 GLU 55 HG2 GLU 55 17.209 27.421 7.136
480 HG3 GLU 55 HG1 GLU 55 16.607 28.868 7.948
481 H GLU 56 HN GLU 56 19.094 28.849 3.165
482 HA GLU 56 HA GLU 56 18.475 31.161 1.743
483 HB2 GLU 56 HB2 GLU 56 20.764 30.348 2.033
484 HB3 GLU 56 HB1 GLU 56 20.408 28.888 1.125
485 HG2 GLU 56 HG2 GLU 56 19.977 30.425 -0.888
486 HG3 GLU 56 HG1 GLU 56 20.699 31.709 0.082
487 H1 ALA 1 HT1 ALA 1 3.475 13.610 14.202
488 H2 ALA 1 HT2 ALA 1 3.498 13.481 15.884
489 H3 ALA 1 HT3 ALA 1 4.948 13.619 15.031
490 HA ALA 1 HA ALA 1 2.830 15.681 15.190
491 HB1 ALA 1 HB1 ALA 1 5.560 15.590 16.535
492 HB2 ALA 1 HB2 ALA 1 3.997 15.438 17.343
493 HB3 ALA 1 HB3 ALA 1 4.447 16.962 16.574
494 H ARG 2 HN ARG 2 2.796 16.687 13.261
495 HA ARG 2 HA ARG 2 3.311 17.134 11.088
496 HB2 ARG 2 HB2 ARG 2 4.824 19.060 10.803
497 HB3 ARG 2 HB1 ARG 2 3.690 19.278 12.120
498 HG2 ARG 2 HG2 ARG 2 6.493 18.327 12.717
499 HG3 ARG 2 HG1 ARG 2 6.214 20.034 12.368
500 HD2 ARG 2 HD2 ARG 2 4.758 20.261 14.266
501 HD3 ARG 2 HD1 ARG 2 4.707 18.515 14.520
502 HE ARG 2 HE ARG 2 7.369 19.520 14.704
503 HH11 ARG 2 HH11 ARG 2 4.391 19.315 16.566
504 HH12 ARG 2 HH12 ARG 2 5.209 19.366 18.093
505 HH21 ARG 2 HH21 ARG 2 8.414 19.554 16.697
506 HH22 ARG 2 HH22 ARG 2 7.502 19.510 18.169
507 H THR 3 HN THR 3 4.360 14.699 11.582
508 HA THR 3 HA THR 3 7.102 14.513 10.567
509 HB THR 3 HB THR 3 5.279 12.166 11.240
510 HG1 THR 3 HG1 THR 3 6.532 14.002 12.970
511 HG21 THR 3 HG21 THR 3 7.480 11.627 10.190
512 HG22 THR 3 HG22 THR 3 7.387 11.030 11.848
513 HG23 THR 3 HG23 THR 3 8.299 12.499 11.493
514 H LYS 4 HN LYS 4 5.253 15.654 8.744
515 HA LYS 4 HA LYS 4 4.517 13.764 6.715
516 HB2 LYS 4 HB2 LYS 4 3.407 16.012 7.058
517 HB3 LYS 4 HB1 LYS 4 4.871 16.784 6.463
518 HG2 LYS 4 HG2 LYS 4 3.199 16.685 4.702
519 HG3 LYS 4 HG1 LYS 4 4.573 15.656 4.274
520 HD2 LYS 4 HD2 LYS 4 3.215 13.680 5.183
521 HD3 LYS 4 HD1 LYS 4 1.839 14.782 5.304
522 HE2 LYS 4 HE2 LYS 4 1.740 13.471 3.231
523 HE3 LYS 4 HE1 LYS 4 1.959 15.184 2.865
524 HZ1 LYS 4 HZ1 LYS 4 4.167 13.198 2.959
525 HZ2 LYS 4 HZ2 LYS 4 4.275 14.807 2.454
526 HZ3 LYS 4 HZ3 LYS 4 3.388 13.693 1.547
527 H GLN 5 HN GLN 5 7.404 15.409 7.649
528 HA GLN 5 HA GLN 5 9.042 15.038 5.411
529 HB2 GLN 5 HB2 GLN 5 9.772 14.690 8.361
530 HB3 GLN 5 HB1 GLN 5 10.933 14.769 7.051
531 HG2 GLN 5 HG2 GLN 5 10.955 16.899 8.083
532 HG3 GLN 5 HG1 GLN 5 10.084 17.101 6.561
533 HE21 GLN 5 HE21 GLN 5 9.808 17.019 10.042
534 HE22 GLN 5 HE22 GLN 5 8.234 17.727 10.139
535 H THR 6 HN THR 6 8.946 13.197 4.261
536 HA THR 6 HA THR 6 9.474 10.610 5.525
537 HB THR 6 HB THR 6 7.663 9.602 3.912
538 HG1 THR 6 HG1 THR 6 6.863 12.326 4.055
539 HG21 THR 6 HG21 THR 6 7.408 9.525 6.373
540 HG22 THR 6 HG22 THR 6 5.860 9.820 5.576
541 HG23 THR 6 HG23 THR 6 6.719 11.153 6.352
542 H ALA 7 HN ALA 7 10.145 8.992 4.026
543 HA ALA 7 HA ALA 7 10.892 9.810 1.318
544 HB1 ALA 7 HB1 ALA 7 12.853 10.342 2.677
545 HB2 ALA 7 HB2 ALA 7 13.195 8.986 1.601
546 HB3 ALA 7 HB3 ALA 7 12.889 8.697 3.318
547 H ARG 8 HN ARG 8 10.880 8.115 -0.116
548 HA ARG 8 HA ARG 8 9.657 5.604 0.753
549 HB2 ARG 8 HB2 ARG 8 10.333 6.580 -2.063
550 HB3 ARG 8 HB1 ARG 8 9.324 5.188 -1.653
551 HG2 ARG 8 HG2 ARG 8 7.656 6.683 -0.634
552 HG3 ARG 8 HG1 ARG 8 8.679 8.078 -0.977
553 HD2 ARG 8 HD2 ARG 8 8.451 7.597 -3.410
554 HD3 ARG 8 HD1 ARG 8 7.346 6.269 -3.019
555 HE ARG 8 HE ARG 8 6.307 8.479 -1.745
556 HH11 ARG 8 HH11 ARG 8 6.989 7.654 -5.087
557 HH12 ARG 8 HH12 ARG 8 5.778 8.720 -5.718
558 HH21 ARG 8 HH21 ARG 8 4.733 9.867 -2.574
559 HH22 ARG 8 HH22 ARG 8 4.501 9.983 -4.289
560 H M3L 9 HN M3L 9 10.726 3.667 0.800
561 HA M3L 9 HA M3L 9 13.601 3.648 0.351
562 HB2 M3L 9 HB2 M3L 9 11.734 1.433 1.314
563 HB3 M3L 9 HB1 M3L 9 13.500 1.328 1.250
564 HG2 M3L 9 HG2 M3L 9 13.556 3.355 2.803
565 HG3 M3L 9 HG1 M3L 9 11.812 3.143 3.004
566 HD2 M3L 9 HD2 M3L 9 12.327 0.757 3.790
567 HD3 M3L 9 HD1 M3L 9 14.032 1.230 3.814
568 HE2 M3L 9 HE2 M3L 9 13.289 3.179 5.339
569 HE3 M3L 9 HE1 M3L 9 11.752 2.336 5.484
570 HM11 M3L 9 HH33 M3L 9 11.726 -0.006 6.570
571 HM12 M3L 9 HH31 M3L 9 13.213 -0.633 7.292
572 HM13 M3L 9 HH32 M3L 9 13.047 -0.552 5.535
573 HM21 M3L 9 HH11 M3L 9 15.189 0.786 5.410
574 HM22 M3L 9 HH12 M3L 9 15.343 0.703 7.169
575 HM23 M3L 9 HH13 M3L 9 15.357 2.272 6.354
576 HM31 M3L 9 HH21 M3L 9 13.486 1.466 8.633
577 HM32 M3L 9 HH22 M3L 9 11.990 2.095 7.939
578 HM33 M3L 9 HH23 M3L 9 13.476 3.039 7.830
579 H SER 10 HN SER 10 14.656 2.075 -0.952
580 HA SER 10 HA SER 10 14.012 1.963 -3.618
581 HB2 SER 10 HB2 SER 10 16.262 1.534 -2.730
582 HB3 SER 10 HB1 SER 10 15.726 0.022 -2.000
583 HG SER 10 HG SER 10 16.831 0.104 -4.218
584 H THR 11 HN THR 11 12.252 1.103 -4.555
585 HA THR 11 HA THR 11 10.699 -1.004 -3.355
586 HB THR 11 HB THR 11 9.147 -0.698 -5.233
587 HG1 THR 11 HG1 THR 11 9.749 0.208 -7.072
588 HG21 THR 11 HG21 THR 11 8.612 1.687 -4.970
589 HG22 THR 11 HG22 THR 11 10.214 1.997 -4.300
590 HG23 THR 11 HG23 THR 11 9.068 0.992 -3.411
591 H GLY 12 HN GLY 12 13.450 -1.087 -5.297
592 HA2 GLY 12 HA2 GLY 12 13.077 -3.452 -6.796
593 HA3 GLY 12 HA1 GLY 12 14.613 -2.829 -6.216
594 H GLY 13 HN GLY 13 12.223 -5.231 -5.813
595 HA2 GLY 13 HA2 GLY 13 12.602 -5.958 -3.082
596 HA3 GLY 13 HA1 GLY 13 11.861 -6.948 -4.334
597 H LYS 14 HN LYS 14 13.845 -7.361 -6.141
598 HA LYS 14 HA LYS 14 16.359 -8.054 -4.889
599 HB2 LYS 14 HB2 LYS 14 16.233 -10.502 -5.559
600 HB3 LYS 14 HB1 LYS 14 15.200 -10.049 -4.221
601 HG2 LYS 14 HG2 LYS 14 13.883 -11.531 -5.488
602 HG3 LYS 14 HG1 LYS 14 13.277 -9.931 -5.915
603 HD2 LYS 14 HD2 LYS 14 14.512 -9.995 -8.034
604 HD3 LYS 14 HD1 LYS 14 15.237 -11.548 -7.597
605 HE2 LYS 14 HE2 LYS 14 12.263 -11.054 -8.019
606 HE3 LYS 14 HE1 LYS 14 13.351 -11.789 -9.197
607 HZ1 LYS 14 HZ1 LYS 14 13.703 -13.631 -7.718
608 HZ2 LYS 14 HZ2 LYS 14 12.039 -13.415 -7.931
609 HZ3 LYS 14 HZ3 LYS 14 12.782 -12.905 -6.501
610 H ALA 15 HN ALA 15 17.797 -9.221 -6.565
611 HA ALA 15 HA ALA 15 18.937 -9.241 -8.494
612 HB1 ALA 15 HB1 ALA 15 16.926 -10.328 -9.432
613 HB2 ALA 15 HB2 ALA 15 17.742 -9.329 -10.641
614 HB3 ALA 15 HB3 ALA 15 16.274 -8.743 -9.856
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 3.870 4.944 -2.157
2 H2 GLY 1 HT2 GLY 1 3.752 3.587 -3.157
3 H3 GLY 1 HT3 GLY 1 4.706 4.903 -3.622
4 HA2 GLY 1 HA1 GLY 1 6.100 3.105 -2.825
5 HA3 GLY 1 HA2 GLY 1 6.217 4.527 -1.793
6 H GLU 2 HN GLU 2 6.264 1.351 -1.525
7 HA GLU 2 HA GLU 2 4.119 0.624 0.198
8 HB2 GLU 2 HB2 GLU 2 6.846 -0.703 -0.149
9 HB3 GLU 2 HB1 GLU 2 5.446 -1.438 0.632
10 HG2 GLU 2 HG2 GLU 2 5.720 -0.688 -2.297
11 HG3 GLU 2 HG1 GLU 2 5.713 -2.314 -1.615
12 H GLN 3 HN GLN 3 7.368 1.828 0.765
13 HA GLN 3 HA GLN 3 6.971 1.744 3.703
14 HB2 GLN 3 HB2 GLN 3 9.539 1.468 2.079
15 HB3 GLN 3 HB1 GLN 3 9.467 1.536 3.839
16 HG2 GLN 3 HG2 GLN 3 8.187 -0.546 3.898
17 HG3 GLN 3 HG1 GLN 3 8.156 -0.610 2.138
18 HE21 GLN 3 HE21 GLN 3 9.234 -2.502 4.151
19 HE22 GLN 3 HE22 GLN 3 10.883 -2.764 3.709
20 H VAL 4 HN VAL 4 6.360 3.736 4.239
21 HA VAL 4 HA VAL 4 8.048 6.064 3.535
22 HB VAL 4 HB VAL 4 5.896 7.484 3.606
23 HG11 VAL 4 HG11 VAL 4 6.183 5.503 1.315
24 HG12 VAL 4 HG12 VAL 4 7.044 7.033 1.491
25 HG13 VAL 4 HG13 VAL 4 5.298 7.033 1.247
26 HG21 VAL 4 HG21 VAL 4 4.362 5.852 4.633
27 HG22 VAL 4 HG22 VAL 4 4.530 4.783 3.240
28 HG23 VAL 4 HG23 VAL 4 3.743 6.356 3.057
29 H PHE 5 HN PHE 5 9.114 6.314 5.430
30 HA PHE 5 HA PHE 5 7.630 6.118 7.996
31 HB2 PHE 5 HB2 PHE 5 10.534 5.467 7.329
32 HB3 PHE 5 HB1 PHE 5 9.946 5.604 8.982
33 HD1 PHE 5 HD1 PHE 5 9.337 3.704 5.796
34 HD2 PHE 5 HD2 PHE 5 9.061 3.704 10.063
35 HE1 PHE 5 HE1 PHE 5 8.678 1.339 5.764
36 HE2 PHE 5 HE2 PHE 5 8.398 1.336 10.017
37 HZ PHE 5 HZ PHE 5 8.206 0.152 7.869
38 H ALA 6 HN ALA 6 8.165 7.547 9.678
39 HA ALA 6 HA ALA 6 9.130 10.189 9.009
40 HB1 ALA 6 HB1 ALA 6 7.353 9.914 10.685
41 HB2 ALA 6 HB2 ALA 6 8.769 10.678 11.409
42 HB3 ALA 6 HB3 ALA 6 8.435 8.971 11.710
43 H VAL 7 HN VAL 7 11.091 11.073 9.624
44 HA VAL 7 HA VAL 7 13.246 9.161 10.338
45 HB VAL 7 HB VAL 7 14.703 10.202 8.717
46 HG11 VAL 7 HG11 VAL 7 13.187 8.500 7.802
47 HG12 VAL 7 HG12 VAL 7 13.534 9.723 6.582
48 HG13 VAL 7 HG13 VAL 7 11.985 9.735 7.428
49 HG21 VAL 7 HG21 VAL 7 12.490 12.214 8.157
50 HG22 VAL 7 HG22 VAL 7 13.996 12.077 7.243
51 HG23 VAL 7 HG23 VAL 7 14.034 12.547 8.943
52 H GLU 8 HN GLU 8 15.034 10.013 11.481
53 HA GLU 8 HA GLU 8 14.797 12.254 13.189
54 HB2 GLU 8 HB2 GLU 8 16.462 10.554 13.712
55 HB3 GLU 8 HB1 GLU 8 17.257 10.773 12.162
56 HG2 GLU 8 HG2 GLU 8 18.628 11.767 13.856
57 HG3 GLU 8 HG1 GLU 8 17.960 13.059 12.867
58 H SER 9 HN SER 9 16.893 11.906 10.309
59 HA SER 9 HA SER 9 16.176 14.375 9.074
60 HB2 SER 9 HB2 SER 9 18.873 14.246 10.516
61 HB3 SER 9 HB1 SER 9 18.514 15.423 9.254
62 HG SER 9 HG SER 9 16.556 15.605 10.997
63 H ILE 10 HN ILE 10 17.841 14.814 7.222
64 HA ILE 10 HA ILE 10 18.843 12.442 5.917
65 HB ILE 10 HB ILE 10 19.585 15.368 5.398
66 HG12 ILE 10 HG12 ILE 10 17.159 15.134 5.178
67 HG13 ILE 10 HG11 ILE 10 17.876 15.358 3.588
68 HG21 ILE 10 HG21 ILE 10 20.225 14.625 3.132
69 HG22 ILE 10 HG22 ILE 10 19.858 12.956 3.573
70 HG23 ILE 10 HG23 ILE 10 21.175 13.809 4.381
71 HD11 ILE 10 HD11 ILE 10 16.121 13.730 3.489
72 HD12 ILE 10 HD12 ILE 10 16.867 12.768 4.763
73 HD13 ILE 10 HD13 ILE 10 17.660 12.924 3.191
74 H ARG 11 HN ARG 11 20.434 11.379 7.008
75 HA ARG 11 HA ARG 11 22.179 12.484 8.926
76 HB2 ARG 11 HB2 ARG 11 21.408 10.010 8.562
77 HB3 ARG 11 HB1 ARG 11 22.748 9.889 7.436
78 HG2 ARG 11 HG2 ARG 11 23.079 10.672 10.360
79 HG3 ARG 11 HG1 ARG 11 23.162 9.008 9.787
80 HD2 ARG 11 HD2 ARG 11 25.121 9.525 8.444
81 HD3 ARG 11 HD1 ARG 11 24.989 11.239 8.842
82 HE ARG 11 HE ARG 11 25.364 9.344 11.044
83 HH11 ARG 11 HH11 ARG 11 26.825 11.761 8.959
84 HH12 ARG 11 HH12 ARG 11 28.180 12.017 10.004
85 HH21 ARG 11 HH21 ARG 11 27.155 9.697 12.403
86 HH22 ARG 11 HH22 ARG 11 28.367 10.853 11.951
87 H LYS 12 HN LYS 12 22.896 11.378 5.564
88 HA LYS 12 HA LYS 12 24.933 13.498 5.302
89 HB2 LYS 12 HB2 LYS 12 25.449 10.554 4.661
90 HB3 LYS 12 HB1 LYS 12 26.446 11.867 4.043
91 HG2 LYS 12 HG2 LYS 12 26.963 12.484 6.450
92 HG3 LYS 12 HG1 LYS 12 26.115 11.016 6.934
93 HD2 LYS 12 HD2 LYS 12 28.500 10.553 6.889
94 HD3 LYS 12 HD1 LYS 12 27.729 9.670 5.568
95 HE2 LYS 12 HE2 LYS 12 28.457 11.456 3.990
96 HE3 LYS 12 HE1 LYS 12 29.258 12.288 5.318
97 HZ1 LYS 12 HZ1 LYS 12 30.813 11.013 4.013
98 HZ2 LYS 12 HZ2 LYS 12 29.946 9.590 4.290
99 HZ3 LYS 12 HZ3 LYS 12 30.712 10.371 5.576
100 H LYS 13 HN LYS 13 25.746 13.389 2.830
101 HA LYS 13 HA LYS 13 23.549 13.117 0.951
102 HB2 LYS 13 HB2 LYS 13 22.860 15.203 2.046
103 HB3 LYS 13 HB1 LYS 13 24.482 15.873 1.905
104 HG2 LYS 13 HG2 LYS 13 24.258 15.994 -0.533
105 HG3 LYS 13 HG1 LYS 13 22.673 15.224 -0.450
106 HD2 LYS 13 HD2 LYS 13 21.823 17.195 0.850
107 HD3 LYS 13 HD1 LYS 13 23.407 17.960 0.677
108 HE2 LYS 13 HE2 LYS 13 23.121 17.902 -1.806
109 HE3 LYS 13 HE1 LYS 13 21.511 17.216 -1.583
110 HZ1 LYS 13 HZ1 LYS 13 22.406 19.873 -0.607
111 HZ2 LYS 13 HZ2 LYS 13 20.853 19.229 -0.437
112 HZ3 LYS 13 HZ3 LYS 13 21.453 19.597 -1.976
113 H ARG 14 HN ARG 14 24.436 12.735 -1.014
114 HA ARG 14 HA ARG 14 27.055 13.777 -1.793
115 HB2 ARG 14 HB2 ARG 14 28.111 11.623 -2.093
116 HB3 ARG 14 HB1 ARG 14 27.496 11.671 -0.448
117 HG2 ARG 14 HG2 ARG 14 25.508 10.328 -1.209
118 HG3 ARG 14 HG1 ARG 14 26.255 10.207 -2.805
119 HD2 ARG 14 HD2 ARG 14 28.241 9.109 -1.698
120 HD3 ARG 14 HD1 ARG 14 27.317 9.103 -0.185
121 HE ARG 14 HE ARG 14 25.949 7.852 -2.420
122 HH11 ARG 14 HH11 ARG 14 28.130 7.230 0.268
123 HH12 ARG 14 HH12 ARG 14 27.858 5.519 0.245
124 HH21 ARG 14 HH21 ARG 14 25.593 5.617 -2.429
125 HH22 ARG 14 HH22 ARG 14 26.411 4.606 -1.280
126 H VAL 15 HN VAL 15 27.620 12.750 -4.055
127 HA VAL 15 HA VAL 15 25.295 11.880 -5.603
128 HB VAL 15 HB VAL 15 25.169 14.231 -6.056
129 HG11 VAL 15 HG11 VAL 15 27.362 14.965 -5.282
130 HG12 VAL 15 HG12 VAL 15 27.034 15.619 -6.888
131 HG13 VAL 15 HG13 VAL 15 28.134 14.250 -6.700
132 HG21 VAL 15 HG21 VAL 15 24.857 12.799 -8.042
133 HG22 VAL 15 HG22 VAL 15 26.574 12.937 -8.429
134 HG23 VAL 15 HG23 VAL 15 25.537 14.364 -8.497
135 H ARG 16 HN ARG 16 25.856 10.087 -6.553
136 HA ARG 16 HA ARG 16 28.620 9.566 -7.456
137 HB2 ARG 16 HB2 ARG 16 27.941 8.544 -5.126
138 HB3 ARG 16 HB1 ARG 16 26.919 7.451 -6.042
139 HG2 ARG 16 HG2 ARG 16 29.933 7.682 -6.416
140 HG3 ARG 16 HG1 ARG 16 29.160 6.526 -5.333
141 HD2 ARG 16 HD2 ARG 16 28.820 6.640 -8.356
142 HD3 ARG 16 HD1 ARG 16 29.801 5.470 -7.462
143 HE ARG 16 HE ARG 16 27.096 5.424 -6.558
144 HH11 ARG 16 HH11 ARG 16 29.084 4.374 -9.250
145 HH12 ARG 16 HH12 ARG 16 28.050 3.052 -9.658
146 HH21 ARG 16 HH21 ARG 16 25.741 3.686 -7.103
147 HH22 ARG 16 HH22 ARG 16 26.142 2.659 -8.442
148 H LYS 17 HN LYS 17 28.557 9.060 -9.565
149 HA LYS 17 HA LYS 17 27.971 8.312 -11.621
150 HB2 LYS 17 HB2 LYS 17 27.663 6.142 -10.351
151 HB3 LYS 17 HB1 LYS 17 25.960 6.518 -10.170
152 HG2 LYS 17 HG2 LYS 17 26.381 4.854 -11.945
153 HG3 LYS 17 HG1 LYS 17 25.609 6.309 -12.579
154 HD2 LYS 17 HD2 LYS 17 27.802 7.094 -13.424
155 HD3 LYS 17 HD1 LYS 17 28.577 5.645 -12.768
156 HE2 LYS 17 HE2 LYS 17 27.377 4.224 -14.325
157 HE3 LYS 17 HE1 LYS 17 26.361 5.571 -14.852
158 HZ1 LYS 17 HZ1 LYS 17 28.338 6.646 -15.743
159 HZ2 LYS 17 HZ2 LYS 17 28.071 5.139 -16.448
160 HZ3 LYS 17 HZ3 LYS 17 29.282 5.316 -15.282
161 H GLY 18 HN GLY 18 26.669 10.614 -10.374
162 HA2 GLY 18 HA2 GLY 18 25.229 12.256 -11.195
163 HA3 GLY 18 HA1 GLY 18 24.478 11.071 -12.249
164 H LYS 19 HN LYS 19 24.389 9.416 -9.539
165 HA LYS 19 HA LYS 19 21.646 10.159 -8.887
166 HB2 LYS 19 HB2 LYS 19 23.365 7.873 -7.818
167 HB3 LYS 19 HB1 LYS 19 21.622 8.056 -7.602
168 HG2 LYS 19 HG2 LYS 19 22.986 7.725 -10.287
169 HG3 LYS 19 HG1 LYS 19 22.307 6.385 -9.356
170 HD2 LYS 19 HD2 LYS 19 20.738 8.779 -10.414
171 HD3 LYS 19 HD1 LYS 19 20.798 7.188 -11.175
172 HE2 LYS 19 HE2 LYS 19 19.749 6.194 -9.162
173 HE3 LYS 19 HE1 LYS 19 19.688 7.789 -8.410
174 HZ1 LYS 19 HZ1 LYS 19 18.242 8.529 -10.193
175 HZ2 LYS 19 HZ2 LYS 19 17.586 7.191 -9.391
176 HZ3 LYS 19 HZ3 LYS 19 18.299 6.999 -10.908
177 H VAL 20 HN VAL 20 21.436 11.771 -7.475
178 HA VAL 20 HA VAL 20 23.361 12.353 -5.393
179 HB VAL 20 HB VAL 20 20.566 13.513 -5.784
180 HG11 VAL 20 HG11 VAL 20 22.908 14.605 -4.172
181 HG12 VAL 20 HG12 VAL 20 21.425 13.912 -3.506
182 HG13 VAL 20 HG13 VAL 20 21.361 15.419 -4.421
183 HG21 VAL 20 HG21 VAL 20 21.939 13.888 -7.792
184 HG22 VAL 20 HG22 VAL 20 23.223 14.588 -6.803
185 HG23 VAL 20 HG23 VAL 20 21.665 15.406 -6.932
186 H GLU 21 HN GLU 21 23.468 11.024 -3.671
187 HA GLU 21 HA GLU 21 21.077 9.525 -2.812
188 HB2 GLU 21 HB2 GLU 21 24.032 8.929 -2.344
189 HB3 GLU 21 HB1 GLU 21 22.685 7.935 -1.791
190 HG2 GLU 21 HG2 GLU 21 22.058 7.463 -4.117
191 HG3 GLU 21 HG1 GLU 21 23.360 8.498 -4.697
192 H TYR 22 HN TYR 22 20.318 9.711 -0.806
193 HA TYR 22 HA TYR 22 21.689 11.468 1.145
194 HB2 TYR 22 HB2 TYR 22 18.721 10.884 0.707
195 HB3 TYR 22 HB1 TYR 22 19.342 11.746 2.109
196 HD1 TYR 22 HD2 TYR 22 21.373 12.916 -0.469
197 HD2 TYR 22 HD1 TYR 22 17.325 13.144 0.885
198 HE1 TYR 22 HE2 TYR 22 21.097 15.052 -1.635
199 HE2 TYR 22 HE1 TYR 22 17.056 15.280 -0.283
200 HH TYR 22 HH TYR 22 19.202 16.406 -2.593
201 H LEU 23 HN LEU 23 22.579 10.257 2.770
202 HA LEU 23 HA LEU 23 21.607 7.676 3.574
203 HB2 LEU 23 HB2 LEU 23 23.953 8.540 3.996
204 HB3 LEU 23 HB1 LEU 23 23.293 9.641 5.196
205 HG LEU 23 HG LEU 23 22.585 7.751 6.596
206 HD11 LEU 23 HD11 LEU 23 23.158 5.428 6.014
207 HD12 LEU 23 HD12 LEU 23 23.718 5.961 4.426
208 HD13 LEU 23 HD13 LEU 23 22.016 6.129 4.868
209 HD21 LEU 23 HD21 LEU 23 25.476 7.433 5.713
210 HD22 LEU 23 HD22 LEU 23 24.787 6.881 7.243
211 HD23 LEU 23 HD23 LEU 23 24.882 8.605 6.892
212 H VAL 24 HN VAL 24 19.706 7.389 4.604
213 HA VAL 24 HA VAL 24 18.367 9.762 5.718
214 HB VAL 24 HB VAL 24 17.064 7.114 4.979
215 HG11 VAL 24 HG11 VAL 24 14.992 8.453 4.821
216 HG12 VAL 24 HG12 VAL 24 15.881 9.900 5.301
217 HG13 VAL 24 HG13 VAL 24 15.704 8.557 6.434
218 HG21 VAL 24 HG21 VAL 24 16.473 8.071 2.802
219 HG22 VAL 24 HG22 VAL 24 18.225 7.990 2.989
220 HG23 VAL 24 HG23 VAL 24 17.389 9.535 3.171
221 H LYS 25 HN LYS 25 18.623 9.915 7.901
222 HA LYS 25 HA LYS 25 19.165 7.614 9.573
223 HB2 LYS 25 HB2 LYS 25 19.924 10.217 9.798
224 HB3 LYS 25 HB1 LYS 25 18.497 10.290 10.813
225 HG2 LYS 25 HG2 LYS 25 21.024 8.666 11.235
226 HG3 LYS 25 HG1 LYS 25 20.353 9.937 12.258
227 HD2 LYS 25 HD2 LYS 25 18.409 8.383 12.753
228 HD3 LYS 25 HD1 LYS 25 19.265 7.123 11.862
229 HE2 LYS 25 HE2 LYS 25 20.183 8.493 14.413
230 HE3 LYS 25 HE1 LYS 25 19.672 6.825 14.228
231 HZ1 LYS 25 HZ1 LYS 25 22.108 8.051 13.050
232 HZ2 LYS 25 HZ2 LYS 25 21.615 6.466 12.791
233 HZ3 LYS 25 HZ3 LYS 25 22.059 6.965 14.345
234 H TRP 26 HN TRP 26 17.503 6.283 10.030
235 HA TRP 26 HA TRP 26 14.755 7.236 10.346
236 HB2 TRP 26 HB2 TRP 26 15.792 4.387 10.739
237 HB3 TRP 26 HB1 TRP 26 14.135 4.892 10.411
238 HD1 TRP 26 HD1 TRP 26 17.323 3.931 8.737
239 HE1 TRP 26 HE1 TRP 26 17.070 4.002 6.184
240 HE3 TRP 26 HE3 TRP 26 12.811 6.295 8.434
241 HZ2 TRP 26 HZ2 TRP 26 15.231 4.963 4.280
242 HZ3 TRP 26 HZ3 TRP 26 11.869 6.760 6.204
243 HH2 TRP 26 HH2 TRP 26 13.054 6.106 4.167
244 H LYS 27 HN LYS 27 13.700 7.441 12.303
245 HA LYS 27 HA LYS 27 15.383 7.764 14.638
246 HB2 LYS 27 HB2 LYS 27 13.802 9.526 14.081
247 HB3 LYS 27 HB1 LYS 27 12.459 8.397 14.094
248 HG2 LYS 27 HG2 LYS 27 12.526 9.899 16.073
249 HG3 LYS 27 HG1 LYS 27 12.545 8.185 16.482
250 HD2 LYS 27 HD2 LYS 27 14.094 9.449 17.917
251 HD3 LYS 27 HD1 LYS 27 14.970 8.293 16.916
252 HE2 LYS 27 HE2 LYS 27 16.199 10.378 16.999
253 HE3 LYS 27 HE1 LYS 27 15.571 10.155 15.369
254 HZ1 LYS 27 HZ1 LYS 27 15.262 12.416 16.081
255 HZ2 LYS 27 HZ2 LYS 27 14.430 11.919 17.465
256 HZ3 LYS 27 HZ3 LYS 27 13.750 11.669 15.941
257 H GLY 28 HN GLY 28 12.463 5.818 13.839
258 HA2 GLY 28 HA2 GLY 28 12.389 4.537 16.445
259 HA3 GLY 28 HA1 GLY 28 11.350 4.191 15.077
260 H TRP 29 HN TRP 29 14.362 3.986 13.831
261 HA TRP 29 HA TRP 29 14.635 1.068 14.305
262 HB2 TRP 29 HB2 TRP 29 14.957 2.685 11.733
263 HB3 TRP 29 HB1 TRP 29 15.483 1.012 11.892
264 HD1 TRP 29 HD1 TRP 29 12.157 3.047 12.171
265 HE1 TRP 29 HE1 TRP 29 10.248 1.534 11.364
266 HE3 TRP 29 HE3 TRP 29 14.829 -1.236 11.345
267 HZ2 TRP 29 HZ2 TRP 29 9.912 -1.129 10.491
268 HZ3 TRP 29 HZ3 TRP 29 13.639 -3.225 10.512
269 HH2 TRP 29 HH2 TRP 29 11.228 -3.172 10.093
270 HA PRO 30 HA PRO 30 18.813 1.916 15.599
271 HB2 PRO 30 HB2 PRO 30 20.152 -0.368 14.769
272 HB3 PRO 30 HB1 PRO 30 19.089 -0.305 16.178
273 HG2 PRO 30 HG2 PRO 30 18.512 -1.278 13.400
274 HG3 PRO 30 HG1 PRO 30 18.050 -2.000 14.953
275 HD2 PRO 30 HD2 PRO 30 16.305 -0.556 13.459
276 HD3 PRO 30 HD1 PRO 30 16.244 -0.544 15.236
277 HA PRO 31 HA PRO 31 20.825 4.330 12.630
278 HB2 PRO 31 HB2 PRO 31 23.560 3.974 13.174
279 HB3 PRO 31 HB1 PRO 31 22.458 4.995 14.106
280 HG2 PRO 31 HG2 PRO 31 23.284 2.134 14.614
281 HG3 PRO 31 HG1 PRO 31 23.219 3.496 15.758
282 HD2 PRO 31 HD2 PRO 31 21.245 1.746 15.762
283 HD3 PRO 31 HD1 PRO 31 20.843 3.484 15.827
284 H LYS 32 HN LYS 32 22.075 0.998 12.546
285 HA LYS 32 HA LYS 32 23.532 1.326 10.085
286 HB2 LYS 32 HB2 LYS 32 23.831 -1.113 10.138
287 HB3 LYS 32 HB1 LYS 32 24.218 -0.372 11.688
288 HG2 LYS 32 HG2 LYS 32 22.069 -1.141 12.613
289 HG3 LYS 32 HG1 LYS 32 21.633 -1.840 11.047
290 HD2 LYS 32 HD2 LYS 32 23.581 -3.373 11.203
291 HD3 LYS 32 HD1 LYS 32 23.999 -2.683 12.775
292 HE2 LYS 32 HE2 LYS 32 21.824 -3.485 13.672
293 HE3 LYS 32 HE1 LYS 32 21.453 -4.210 12.103
294 HZ1 LYS 32 HZ1 LYS 32 22.350 -5.836 13.631
295 HZ2 LYS 32 HZ2 LYS 32 23.749 -4.911 13.852
296 HZ3 LYS 32 HZ3 LYS 32 23.420 -5.604 12.344
297 H TYR 33 HN TYR 33 20.198 0.788 10.770
298 HA TYR 33 HA TYR 33 19.465 -0.316 8.197
299 HB2 TYR 33 HB2 TYR 33 17.912 0.703 10.590
300 HB3 TYR 33 HB1 TYR 33 17.075 0.419 9.070
301 HD1 TYR 33 HD2 TYR 33 19.390 -1.341 11.465
302 HD2 TYR 33 HD1 TYR 33 16.172 -1.736 8.675
303 HE1 TYR 33 HE2 TYR 33 19.192 -3.728 12.018
304 HE2 TYR 33 HE1 TYR 33 15.984 -4.120 9.231
305 HH TYR 33 HH TYR 33 17.502 -5.516 11.926
306 H SER 34 HN SER 34 20.555 2.727 9.038
307 HA SER 34 HA SER 34 18.875 4.403 7.472
308 HB2 SER 34 HB2 SER 34 21.785 4.772 8.286
309 HB3 SER 34 HB1 SER 34 20.756 6.024 7.587
310 HG SER 34 HG SER 34 20.118 4.623 9.970
311 H THR 35 HN THR 35 18.617 4.367 5.363
312 HA THR 35 HA THR 35 20.418 2.812 3.636
313 HB THR 35 HB THR 35 18.442 2.906 2.036
314 HG1 THR 35 HG1 THR 35 17.308 4.685 2.683
315 HG21 THR 35 HG21 THR 35 18.707 0.949 3.529
316 HG22 THR 35 HG22 THR 35 17.003 1.333 3.277
317 HG23 THR 35 HG23 THR 35 17.792 1.782 4.790
318 H TRP 36 HN TRP 36 21.515 3.739 1.904
319 HA TRP 36 HA TRP 36 21.364 6.592 1.384
320 HB2 TRP 36 HB2 TRP 36 22.823 4.341 -0.085
321 HB3 TRP 36 HB1 TRP 36 22.899 6.031 -0.576
322 HD1 TRP 36 HD1 TRP 36 24.335 3.606 1.976
323 HE1 TRP 36 HE1 TRP 36 26.154 4.798 3.336
324 HE3 TRP 36 HE3 TRP 36 23.552 8.404 0.378
325 HZ2 TRP 36 HZ2 TRP 36 27.148 7.403 3.686
326 HZ3 TRP 36 HZ3 TRP 36 24.988 10.193 1.279
327 HH2 TRP 36 HH2 TRP 36 26.752 9.698 2.904
328 H GLU 37 HN GLU 37 19.598 7.306 0.465
329 HA GLU 37 HA GLU 37 18.203 5.785 -1.640
330 HB2 GLU 37 HB2 GLU 37 17.267 7.050 0.910
331 HB3 GLU 37 HB1 GLU 37 16.229 7.297 -0.476
332 HG2 GLU 37 HG2 GLU 37 17.118 4.577 0.503
333 HG3 GLU 37 HG1 GLU 37 15.607 5.360 0.972
334 HA PRO 38 HA PRO 38 19.228 9.418 -4.161
335 HB2 PRO 38 HB2 PRO 38 17.302 9.005 -6.144
336 HB3 PRO 38 HB1 PRO 38 18.869 8.183 -6.076
337 HG2 PRO 38 HG2 PRO 38 16.182 7.232 -5.087
338 HG3 PRO 38 HG1 PRO 38 17.395 6.346 -6.037
339 HD2 PRO 38 HD2 PRO 38 17.182 5.925 -3.417
340 HD3 PRO 38 HD1 PRO 38 18.796 6.018 -4.164
341 H GLU 39 HN GLU 39 18.413 11.513 -4.490
342 HA GLU 39 HA GLU 39 17.016 12.433 -2.290
343 HB2 GLU 39 HB2 GLU 39 17.233 14.663 -3.210
344 HB3 GLU 39 HB1 GLU 39 18.697 13.745 -3.523
345 HG2 GLU 39 HG2 GLU 39 18.084 13.461 -5.857
346 HG3 GLU 39 HG1 GLU 39 16.517 14.224 -5.578
347 H GLU 40 HN GLU 40 15.688 11.557 -5.347
348 HA GLU 40 HA GLU 40 13.318 13.072 -5.438
349 HB2 GLU 40 HB2 GLU 40 14.332 11.820 -7.352
350 HB3 GLU 40 HB1 GLU 40 13.869 10.305 -6.595
351 HG2 GLU 40 HG2 GLU 40 12.352 10.903 -8.415
352 HG3 GLU 40 HG1 GLU 40 11.508 10.846 -6.868
353 H HIS 41 HN HIS 41 14.148 10.291 -3.520
354 HA HIS 41 HA HIS 41 11.559 9.163 -3.149
355 HB2 HIS 41 HB2 HIS 41 12.591 7.591 -1.759
356 HB3 HIS 41 HB1 HIS 41 13.926 8.086 -2.789
357 HD1 HIS 41 HD1 HIS 41 12.977 7.693 0.642
358 HD2 HIS 41 HD2 HIS 41 15.683 10.076 -1.405
359 HE1 HIS 41 HE1 HIS 41 14.534 8.564 2.389
360 HE2 HIS 41 HE2 HIS 41 16.300 9.813 1.087
361 H ILE 42 HN ILE 42 13.094 11.887 -1.727
362 HA ILE 42 HA ILE 42 11.833 11.891 0.848
363 HB ILE 42 HB ILE 42 13.112 14.171 -0.725
364 HG12 ILE 42 HG12 ILE 42 14.691 12.301 -0.217
365 HG13 ILE 42 HG11 ILE 42 15.133 13.797 0.598
366 HG21 ILE 42 HG21 ILE 42 13.321 15.341 1.451
367 HG22 ILE 42 HG22 ILE 42 12.373 14.064 2.216
368 HG23 ILE 42 HG23 ILE 42 11.639 15.090 0.980
369 HD11 ILE 42 HD11 ILE 42 14.224 12.957 2.684
370 HD12 ILE 42 HD12 ILE 42 15.414 11.839 2.021
371 HD13 ILE 42 HD13 ILE 42 13.694 11.475 1.883
372 H LEU 43 HN LEU 43 9.879 12.795 1.448
373 HA LEU 43 HA LEU 43 8.050 13.572 -0.739
374 HB2 LEU 43 HB2 LEU 43 7.366 12.738 2.108
375 HB3 LEU 43 HB1 LEU 43 6.252 12.901 0.757
376 HG LEU 43 HG LEU 43 8.363 10.741 1.163
377 HD11 LEU 43 HD11 LEU 43 6.455 9.193 1.138
378 HD12 LEU 43 HD12 LEU 43 5.339 10.549 0.960
379 HD13 LEU 43 HD13 LEU 43 6.302 10.384 2.428
380 HD21 LEU 43 HD21 LEU 43 6.631 11.198 -1.283
381 HD22 LEU 43 HD22 LEU 43 7.631 9.773 -0.980
382 HD23 LEU 43 HD23 LEU 43 8.387 11.348 -1.186
383 H ASP 44 HN ASP 44 10.003 15.255 1.219
384 HA ASP 44 HA ASP 44 8.223 17.550 1.498
385 HB2 ASP 44 HB2 ASP 44 7.797 16.341 3.584
386 HB3 ASP 44 HB1 ASP 44 9.526 16.199 3.907
387 HA PRO 45 HA PRO 45 12.237 19.430 0.373
388 HB2 PRO 45 HB2 PRO 45 11.444 22.063 0.511
389 HB3 PRO 45 HB1 PRO 45 11.078 21.012 -0.860
390 HG2 PRO 45 HG2 PRO 45 9.333 21.718 1.500
391 HG3 PRO 45 HG1 PRO 45 8.916 21.688 -0.228
392 HD2 PRO 45 HD2 PRO 45 8.243 19.647 1.396
393 HD3 PRO 45 HD1 PRO 45 8.757 19.344 -0.280
394 H ARG 46 HN ARG 46 10.350 20.426 3.198
395 HA ARG 46 HA ARG 46 12.403 21.973 4.456
396 HB2 ARG 46 HB2 ARG 46 9.873 20.756 5.644
397 HB3 ARG 46 HB1 ARG 46 10.913 21.927 6.459
398 HG2 ARG 46 HG2 ARG 46 10.429 23.567 4.646
399 HG3 ARG 46 HG1 ARG 46 9.321 22.400 3.916
400 HD2 ARG 46 HD2 ARG 46 7.869 22.485 5.859
401 HD3 ARG 46 HD1 ARG 46 9.027 23.484 6.746
402 HE ARG 46 HE ARG 46 7.269 24.326 4.551
403 HH11 ARG 46 HH11 ARG 46 9.745 25.249 6.884
404 HH12 ARG 46 HH12 ARG 46 9.463 26.949 6.682
405 HH21 ARG 46 HH21 ARG 46 6.932 26.545 4.281
406 HH22 ARG 46 HH22 ARG 46 7.863 27.685 5.192
407 H LEU 47 HN LEU 47 11.861 18.572 4.290
408 HA LEU 47 HA LEU 47 13.270 17.751 6.638
409 HB2 LEU 47 HB2 LEU 47 11.849 16.165 5.541
410 HB3 LEU 47 HB1 LEU 47 12.636 16.394 3.994
411 HG LEU 47 HG LEU 47 14.585 15.131 4.696
412 HD11 LEU 47 HD11 LEU 47 14.816 15.860 7.012
413 HD12 LEU 47 HD12 LEU 47 14.811 14.103 6.908
414 HD13 LEU 47 HD13 LEU 47 13.369 14.953 7.466
415 HD21 LEU 47 HD21 LEU 47 13.606 12.918 5.097
416 HD22 LEU 47 HD22 LEU 47 12.659 13.809 3.907
417 HD23 LEU 47 HD23 LEU 47 12.074 13.660 5.567
418 H VAL 48 HN VAL 48 14.299 18.088 3.242
419 HA VAL 48 HA VAL 48 17.069 17.491 3.719
420 HB VAL 48 HB VAL 48 15.908 18.990 1.328
421 HG11 VAL 48 HG11 VAL 48 18.407 17.264 1.561
422 HG12 VAL 48 HG12 VAL 48 18.374 19.026 1.437
423 HG13 VAL 48 HG13 VAL 48 17.826 18.037 0.082
424 HG21 VAL 48 HG21 VAL 48 14.606 16.929 1.652
425 HG22 VAL 48 HG22 VAL 48 16.090 15.973 1.706
426 HG23 VAL 48 HG23 VAL 48 15.623 16.794 0.215
427 H MET 49 HN MET 49 15.124 20.373 3.560
428 HA MET 49 HA MET 49 17.224 22.305 3.779
429 HB2 MET 49 HB2 MET 49 14.203 22.447 4.127
430 HB3 MET 49 HB1 MET 49 15.248 23.862 4.317
431 HG2 MET 49 HG2 MET 49 14.978 22.194 1.800
432 HG3 MET 49 HG1 MET 49 14.198 23.748 2.091
433 HE1 MET 49 HE1 MET 49 15.439 26.076 2.070
434 HE2 MET 49 HE2 MET 49 17.195 26.247 2.061
435 HE3 MET 49 HE3 MET 49 16.387 25.544 3.462
436 H ALA 50 HN ALA 50 15.270 20.470 6.114
437 HA ALA 50 HA ALA 50 16.012 21.918 8.472
438 HB1 ALA 50 HB1 ALA 50 15.237 18.983 8.226
439 HB2 ALA 50 HB2 ALA 50 14.127 20.325 8.494
440 HB3 ALA 50 HB3 ALA 50 15.309 19.911 9.733
441 H TYR 51 HN TYR 51 17.570 19.446 6.549
442 HA TYR 51 HA TYR 51 19.635 18.714 8.392
443 HB2 TYR 51 HB2 TYR 51 19.054 17.178 6.622
444 HB3 TYR 51 HB1 TYR 51 19.281 18.404 5.385
445 HD1 TYR 51 HD2 TYR 51 21.587 17.399 8.184
446 HD2 TYR 51 HD1 TYR 51 20.951 17.493 3.967
447 HE1 TYR 51 HE2 TYR 51 23.851 16.540 7.826
448 HE2 TYR 51 HE1 TYR 51 23.219 16.626 3.607
449 HH TYR 51 HH TYR 51 25.357 16.483 4.758
450 H GLU 52 HN GLU 52 19.602 20.807 5.477
451 HA GLU 52 HA GLU 52 22.410 21.463 5.785
452 HB2 GLU 52 HB2 GLU 52 20.332 22.368 3.746
453 HB3 GLU 52 HB1 GLU 52 22.049 22.768 3.662
454 HG2 GLU 52 HG2 GLU 52 22.618 20.389 3.476
455 HG3 GLU 52 HG1 GLU 52 20.914 19.949 3.609
456 H GLU 53 HN GLU 53 19.412 22.986 6.687
457 HA GLU 53 HA GLU 53 20.769 25.574 7.234
458 HB2 GLU 53 HB2 GLU 53 17.777 24.981 7.013
459 HB3 GLU 53 HB1 GLU 53 18.500 26.569 7.259
460 HG2 GLU 53 HG2 GLU 53 18.838 24.823 4.794
461 HG3 GLU 53 HG1 GLU 53 17.777 26.222 4.928
462 H LYS 54 HN LYS 54 20.548 22.904 8.896
463 HA LYS 54 HA LYS 54 19.282 23.703 11.360
464 HB2 LYS 54 HB2 LYS 54 19.821 21.271 10.521
465 HB3 LYS 54 HB1 LYS 54 21.438 21.558 11.143
466 HG2 LYS 54 HG2 LYS 54 20.534 21.906 13.399
467 HG3 LYS 54 HG1 LYS 54 18.887 21.695 12.794
468 HD2 LYS 54 HD2 LYS 54 21.062 19.558 12.718
469 HD3 LYS 54 HD1 LYS 54 19.801 19.669 13.948
470 HE2 LYS 54 HE2 LYS 54 18.075 19.324 12.209
471 HE3 LYS 54 HE1 LYS 54 19.333 19.231 10.974
472 HZ1 LYS 54 HZ1 LYS 54 20.223 17.285 12.114
473 HZ2 LYS 54 HZ2 LYS 54 18.619 17.054 11.638
474 HZ3 LYS 54 HZ3 LYS 54 18.976 17.369 13.254
475 H GLU 55 HN GLU 55 20.726 23.715 13.448
476 HA GLU 55 HA GLU 55 22.069 24.924 14.798
477 HB2 GLU 55 HB2 GLU 55 23.992 24.767 12.436
478 HB3 GLU 55 HB1 GLU 55 24.414 25.592 13.924
479 HG2 GLU 55 HG2 GLU 55 25.412 23.389 13.914
480 HG3 GLU 55 HG1 GLU 55 24.190 23.478 15.182
481 H GLU 56 HN GLU 56 20.154 26.172 12.844
482 HA GLU 56 HA GLU 56 20.891 28.972 13.221
483 HB2 GLU 56 HB2 GLU 56 21.780 28.392 10.953
484 HB3 GLU 56 HB1 GLU 56 20.188 27.826 10.473
485 HG2 GLU 56 HG2 GLU 56 20.455 29.978 9.519
486 HG3 GLU 56 HG1 GLU 56 19.326 30.164 10.857
487 H1 ALA 1 HT1 ALA 1 4.108 16.391 16.841
488 H2 ALA 1 HT2 ALA 1 5.325 16.339 18.010
489 H3 ALA 1 HT3 ALA 1 4.366 14.977 17.725
490 HA ALA 1 HA ALA 1 6.575 14.767 16.761
491 HB1 ALA 1 HB1 ALA 1 5.815 14.006 14.548
492 HB2 ALA 1 HB2 ALA 1 4.310 14.909 14.749
493 HB3 ALA 1 HB3 ALA 1 4.669 13.545 15.810
494 H ARG 2 HN ARG 2 7.916 16.567 16.898
495 HA ARG 2 HA ARG 2 7.631 18.990 15.453
496 HB2 ARG 2 HB2 ARG 2 8.965 19.097 17.426
497 HB3 ARG 2 HB1 ARG 2 9.949 17.720 16.955
498 HG2 ARG 2 HG2 ARG 2 11.172 19.012 15.350
499 HG3 ARG 2 HG1 ARG 2 10.032 20.356 15.447
500 HD2 ARG 2 HD2 ARG 2 11.793 19.449 17.760
501 HD3 ARG 2 HD1 ARG 2 12.212 20.754 16.644
502 HE ARG 2 HE ARG 2 9.742 21.451 17.560
503 HH11 ARG 2 HH11 ARG 2 12.739 20.684 19.230
504 HH12 ARG 2 HH12 ARG 2 12.442 21.800 20.519
505 HH21 ARG 2 HH21 ARG 2 9.383 22.917 19.237
506 HH22 ARG 2 HH22 ARG 2 10.549 23.092 20.505
507 H THR 3 HN THR 3 9.756 16.174 14.926
508 HA THR 3 HA THR 3 10.189 17.041 12.126
509 HB THR 3 HB THR 3 11.909 15.088 13.721
510 HG1 THR 3 HG1 THR 3 12.065 17.909 13.453
511 HG21 THR 3 HG21 THR 3 12.481 16.649 11.162
512 HG22 THR 3 HG22 THR 3 12.199 14.906 11.264
513 HG23 THR 3 HG23 THR 3 13.630 15.617 12.013
514 H LYS 4 HN LYS 4 7.877 16.116 12.036
515 HA LYS 4 HA LYS 4 7.822 13.208 11.556
516 HB2 LYS 4 HB2 LYS 4 5.880 14.326 12.747
517 HB3 LYS 4 HB1 LYS 4 5.554 15.241 11.284
518 HG2 LYS 4 HG2 LYS 4 4.007 13.385 11.408
519 HG3 LYS 4 HG1 LYS 4 5.126 13.108 10.068
520 HD2 LYS 4 HD2 LYS 4 6.481 11.656 11.700
521 HD3 LYS 4 HD1 LYS 4 5.101 11.768 12.797
522 HE2 LYS 4 HE2 LYS 4 5.038 10.618 9.980
523 HE3 LYS 4 HE1 LYS 4 5.088 9.678 11.469
524 HZ1 LYS 4 HZ1 LYS 4 2.891 11.503 10.647
525 HZ2 LYS 4 HZ2 LYS 4 2.941 10.612 12.081
526 HZ3 LYS 4 HZ3 LYS 4 2.853 9.815 10.590
527 H GLN 5 HN GLN 5 9.501 13.632 9.884
528 HA GLN 5 HA GLN 5 8.460 14.809 7.371
529 HB2 GLN 5 HB2 GLN 5 11.380 14.196 7.971
530 HB3 GLN 5 HB1 GLN 5 10.719 15.233 6.706
531 HG2 GLN 5 HG2 GLN 5 10.881 15.768 9.678
532 HG3 GLN 5 HG1 GLN 5 11.703 16.626 8.380
533 HE21 GLN 5 HE21 GLN 5 9.280 16.879 6.711
534 HE22 GLN 5 HE22 GLN 5 8.301 18.066 7.487
535 H THR 6 HN THR 6 7.607 13.297 6.118
536 HA THR 6 HA THR 6 8.275 10.518 6.226
537 HB THR 6 HB THR 6 6.659 10.406 4.221
538 HG1 THR 6 HG1 THR 6 5.330 12.507 4.321
539 HG21 THR 6 HG21 THR 6 5.895 9.911 6.518
540 HG22 THR 6 HG22 THR 6 4.655 10.780 5.613
541 HG23 THR 6 HG23 THR 6 5.630 11.636 6.811
542 H ALA 7 HN ALA 7 9.705 9.453 5.123
543 HA ALA 7 HA ALA 7 10.719 10.379 2.519
544 HB1 ALA 7 HB1 ALA 7 12.458 9.367 4.805
545 HB2 ALA 7 HB2 ALA 7 12.372 11.036 4.240
546 HB3 ALA 7 HB3 ALA 7 13.014 9.782 3.180
547 H ARG 8 HN ARG 8 10.848 8.677 1.070
548 HA ARG 8 HA ARG 8 9.602 6.184 1.751
549 HB2 ARG 8 HB2 ARG 8 10.906 7.154 -0.812
550 HB3 ARG 8 HB1 ARG 8 10.126 5.582 -0.669
551 HG2 ARG 8 HG2 ARG 8 7.986 6.767 -0.109
552 HG3 ARG 8 HG1 ARG 8 8.796 8.304 -0.434
553 HD2 ARG 8 HD2 ARG 8 9.205 7.619 -2.749
554 HD3 ARG 8 HD1 ARG 8 8.496 6.029 -2.435
555 HE ARG 8 HE ARG 8 6.651 8.134 -1.857
556 HH11 ARG 8 HH11 ARG 8 8.058 6.375 -4.550
557 HH12 ARG 8 HH12 ARG 8 6.689 6.618 -5.584
558 HH21 ARG 8 HH21 ARG 8 4.878 8.464 -3.243
559 HH22 ARG 8 HH22 ARG 8 4.895 7.812 -4.845
560 H M3L 9 HN M3L 9 10.512 4.079 1.061
561 HA M3L 9 HA M3L 9 13.473 3.867 1.128
562 HB2 M3L 9 HB2 M3L 9 11.486 1.729 2.028
563 HB3 M3L 9 HB1 M3L 9 13.245 1.608 2.047
564 HG2 M3L 9 HG2 M3L 9 13.273 3.508 3.700
565 HG3 M3L 9 HG1 M3L 9 11.508 3.397 3.764
566 HD2 M3L 9 HD2 M3L 9 11.623 1.126 4.640
567 HD3 M3L 9 HD1 M3L 9 13.374 1.076 4.404
568 HE2 M3L 9 HE2 M3L 9 13.512 3.039 6.030
569 HE3 M3L 9 HE1 M3L 9 11.812 2.753 6.391
570 HM11 M3L 9 HH33 M3L 9 11.116 0.678 7.611
571 HM12 M3L 9 HH31 M3L 9 12.314 -0.541 8.055
572 HM13 M3L 9 HH32 M3L 9 11.856 -0.329 6.363
573 HM21 M3L 9 HH11 M3L 9 15.240 1.259 6.575
574 HM22 M3L 9 HH12 M3L 9 14.301 -0.005 5.773
575 HM23 M3L 9 HH13 M3L 9 14.753 -0.185 7.470
576 HM31 M3L 9 HH21 M3L 9 14.157 2.693 8.342
577 HM32 M3L 9 HH22 M3L 9 13.684 1.234 9.212
578 HM33 M3L 9 HH23 M3L 9 12.464 2.432 8.779
579 H SER 10 HN SER 10 10.391 2.551 -0.071
580 HA SER 10 HA SER 10 11.370 2.103 -2.705
581 HB2 SER 10 HB2 SER 10 11.210 -0.392 -2.693
582 HB3 SER 10 HB1 SER 10 12.520 0.194 -1.667
583 HG SER 10 HG SER 10 11.391 -0.357 0.113
584 H THR 11 HN THR 11 9.762 1.285 -4.152
585 HA THR 11 HA THR 11 6.971 1.086 -3.168
586 HB THR 11 HB THR 11 7.432 2.772 -4.979
587 HG1 THR 11 HG1 THR 11 5.856 0.795 -6.205
588 HG21 THR 11 HG21 THR 11 9.230 1.580 -6.202
589 HG22 THR 11 HG22 THR 11 7.903 2.015 -7.282
590 HG23 THR 11 HG23 THR 11 8.070 0.352 -6.716
591 H GLY 12 HN GLY 12 9.491 -0.842 -3.569
592 HA2 GLY 12 HA2 GLY 12 8.245 -3.332 -3.649
593 HA3 GLY 12 HA1 GLY 12 8.750 -2.965 -5.302
594 H GLY 13 HN GLY 13 9.966 -5.135 -4.138
595 HA2 GLY 13 HA2 GLY 13 12.674 -4.128 -3.394
596 HA3 GLY 13 HA1 GLY 13 11.882 -5.368 -2.434
597 H LYS 14 HN LYS 14 11.439 -5.457 -5.877
598 HA LYS 14 HA LYS 14 13.370 -7.712 -6.093
599 HB2 LYS 14 HB2 LYS 14 10.615 -7.464 -7.382
600 HB3 LYS 14 HB1 LYS 14 11.774 -8.755 -7.709
601 HG2 LYS 14 HG2 LYS 14 11.645 -9.436 -5.315
602 HG3 LYS 14 HG1 LYS 14 10.440 -8.177 -5.047
603 HD2 LYS 14 HD2 LYS 14 9.133 -10.111 -5.316
604 HD3 LYS 14 HD1 LYS 14 9.068 -9.368 -6.913
605 HE2 LYS 14 HE2 LYS 14 10.893 -11.667 -6.108
606 HE3 LYS 14 HE1 LYS 14 9.402 -11.823 -7.033
607 HZ1 LYS 14 HZ1 LYS 14 11.283 -11.889 -8.481
608 HZ2 LYS 14 HZ2 LYS 14 11.877 -10.425 -7.893
609 HZ3 LYS 14 HZ3 LYS 14 10.432 -10.458 -8.779
610 H ALA 15 HN ALA 15 14.994 -7.160 -7.382
611 HA ALA 15 HA ALA 15 14.833 -5.069 -9.371
612 HB1 ALA 15 HB1 ALA 15 17.123 -6.963 -8.706
613 HB2 ALA 15 HB2 ALA 15 16.870 -5.359 -8.015
614 HB3 ALA 15 HB3 ALA 15 17.226 -5.529 -9.734
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 4.951 -4.012 -3.901
2 H2 GLY 1 HT2 GLY 1 5.538 -3.654 -2.356
3 H3 GLY 1 HT3 GLY 1 6.610 -3.811 -3.651
4 HA2 GLY 1 HA1 GLY 1 5.678 -1.856 -4.708
5 HA3 GLY 1 HA2 GLY 1 4.534 -1.716 -3.376
6 H GLU 2 HN GLU 2 5.548 0.499 -3.289
7 HA GLU 2 HA GLU 2 8.252 0.862 -2.389
8 HB2 GLU 2 HB2 GLU 2 7.584 3.219 -2.027
9 HB3 GLU 2 HB1 GLU 2 7.073 2.635 -3.609
10 HG2 GLU 2 HG2 GLU 2 4.775 2.329 -2.780
11 HG3 GLU 2 HG1 GLU 2 5.270 2.866 -1.174
12 H GLN 3 HN GLN 3 8.415 2.413 -0.275
13 HA GLN 3 HA GLN 3 6.849 1.472 1.977
14 HB2 GLN 3 HB2 GLN 3 8.563 -0.338 1.611
15 HB3 GLN 3 HB1 GLN 3 9.839 0.857 1.802
16 HG2 GLN 3 HG2 GLN 3 9.514 -0.474 3.839
17 HG3 GLN 3 HG1 GLN 3 9.202 1.239 4.113
18 HE21 GLN 3 HE21 GLN 3 7.788 -1.942 3.980
19 HE22 GLN 3 HE22 GLN 3 6.243 -1.514 4.620
20 H VAL 4 HN VAL 4 6.500 3.271 3.131
21 HA VAL 4 HA VAL 4 8.554 5.416 3.281
22 HB VAL 4 HB VAL 4 6.684 6.992 3.850
23 HG11 VAL 4 HG11 VAL 4 6.324 5.585 1.176
24 HG12 VAL 4 HG12 VAL 4 7.464 6.886 1.530
25 HG13 VAL 4 HG13 VAL 4 5.729 7.200 1.576
26 HG21 VAL 4 HG21 VAL 4 5.046 5.383 4.769
27 HG22 VAL 4 HG22 VAL 4 4.814 4.680 3.168
28 HG23 VAL 4 HG23 VAL 4 4.317 6.346 3.481
29 H PHE 5 HN PHE 5 8.968 6.399 5.292
30 HA PHE 5 HA PHE 5 7.828 5.299 7.755
31 HB2 PHE 5 HB2 PHE 5 10.692 4.846 6.874
32 HB3 PHE 5 HB1 PHE 5 10.392 5.126 8.580
33 HD1 PHE 5 HD2 PHE 5 9.879 2.767 5.784
34 HD2 PHE 5 HD1 PHE 5 9.259 3.468 9.948
35 HE1 PHE 5 HE2 PHE 5 9.370 0.387 6.130
36 HE2 PHE 5 HE1 PHE 5 8.754 1.090 10.260
37 HZ PHE 5 HZ PHE 5 8.810 -0.451 8.357
38 H ALA 6 HN ALA 6 8.513 6.433 9.670
39 HA ALA 6 HA ALA 6 8.661 9.275 9.452
40 HB1 ALA 6 HB1 ALA 6 9.048 7.498 11.891
41 HB2 ALA 6 HB2 ALA 6 7.512 8.168 11.337
42 HB3 ALA 6 HB3 ALA 6 8.784 9.245 11.917
43 H VAL 7 HN VAL 7 10.407 10.516 9.327
44 HA VAL 7 HA VAL 7 13.108 9.345 9.549
45 HB VAL 7 HB VAL 7 13.842 11.224 8.098
46 HG11 VAL 7 HG11 VAL 7 12.763 10.499 6.015
47 HG12 VAL 7 HG12 VAL 7 11.484 9.702 6.933
48 HG13 VAL 7 HG13 VAL 7 13.146 9.116 7.042
49 HG21 VAL 7 HG21 VAL 7 12.222 12.946 8.764
50 HG22 VAL 7 HG22 VAL 7 10.900 12.028 8.036
51 HG23 VAL 7 HG23 VAL 7 12.166 12.714 7.015
52 H GLU 8 HN GLU 8 14.706 10.407 10.656
53 HA GLU 8 HA GLU 8 14.022 12.468 12.597
54 HB2 GLU 8 HB2 GLU 8 15.565 10.580 13.206
55 HB3 GLU 8 HB1 GLU 8 16.702 11.123 11.985
56 HG2 GLU 8 HG2 GLU 8 17.438 11.834 14.192
57 HG3 GLU 8 HG1 GLU 8 17.023 13.239 13.206
58 H SER 9 HN SER 9 16.699 12.099 10.301
59 HA SER 9 HA SER 9 16.126 14.418 8.722
60 HB2 SER 9 HB2 SER 9 18.520 14.499 10.628
61 HB3 SER 9 HB1 SER 9 18.323 15.595 9.256
62 HG SER 9 HG SER 9 16.111 15.877 10.487
63 H ILE 10 HN ILE 10 18.222 14.771 7.257
64 HA ILE 10 HA ILE 10 19.122 12.248 6.189
65 HB ILE 10 HB ILE 10 20.086 15.089 5.610
66 HG12 ILE 10 HG12 ILE 10 17.723 14.891 5.041
67 HG13 ILE 10 HG11 ILE 10 18.659 14.938 3.554
68 HG21 ILE 10 HG21 ILE 10 21.027 14.186 3.513
69 HG22 ILE 10 HG22 ILE 10 20.571 12.554 4.010
70 HG23 ILE 10 HG23 ILE 10 21.774 13.453 4.936
71 HD11 ILE 10 HD11 ILE 10 16.895 13.355 3.328
72 HD12 ILE 10 HD12 ILE 10 17.348 12.533 4.817
73 HD13 ILE 10 HD13 ILE 10 18.406 12.452 3.409
74 H ARG 11 HN ARG 11 20.701 11.083 7.117
75 HA ARG 11 HA ARG 11 22.430 12.015 9.176
76 HB2 ARG 11 HB2 ARG 11 21.531 9.549 8.522
77 HB3 ARG 11 HB1 ARG 11 23.062 9.471 7.672
78 HG2 ARG 11 HG2 ARG 11 22.684 9.934 10.655
79 HG3 ARG 11 HG1 ARG 11 23.199 8.430 9.890
80 HD2 ARG 11 HD2 ARG 11 25.258 9.591 9.088
81 HD3 ARG 11 HD1 ARG 11 24.745 11.052 9.944
82 HE ARG 11 HE ARG 11 25.041 8.565 11.475
83 HH11 ARG 11 HH11 ARG 11 26.269 11.790 10.828
84 HH12 ARG 11 HH12 ARG 11 27.395 11.735 12.145
85 HH21 ARG 11 HH21 ARG 11 26.501 8.532 13.178
86 HH22 ARG 11 HH22 ARG 11 27.526 9.899 13.471
87 H LYS 12 HN LYS 12 22.995 11.100 5.740
88 HA LYS 12 HA LYS 12 25.269 12.955 5.553
89 HB2 LYS 12 HB2 LYS 12 25.431 9.976 4.984
90 HB3 LYS 12 HB1 LYS 12 26.529 11.105 4.202
91 HG2 LYS 12 HG2 LYS 12 27.402 11.794 6.387
92 HG3 LYS 12 HG1 LYS 12 26.273 10.702 7.198
93 HD2 LYS 12 HD2 LYS 12 27.376 8.755 6.295
94 HD3 LYS 12 HD1 LYS 12 28.347 9.735 5.192
95 HE2 LYS 12 HE2 LYS 12 29.670 8.939 7.121
96 HE3 LYS 12 HE1 LYS 12 29.571 10.698 7.073
97 HZ1 LYS 12 HZ1 LYS 12 27.816 10.578 8.752
98 HZ2 LYS 12 HZ2 LYS 12 29.264 9.906 9.296
99 HZ3 LYS 12 HZ3 LYS 12 27.996 8.901 8.823
100 H LYS 13 HN LYS 13 25.946 13.302 3.252
101 HA LYS 13 HA LYS 13 23.740 13.037 1.329
102 HB2 LYS 13 HB2 LYS 13 23.195 15.070 2.655
103 HB3 LYS 13 HB1 LYS 13 24.794 15.730 2.320
104 HG2 LYS 13 HG2 LYS 13 24.226 15.844 -0.101
105 HG3 LYS 13 HG1 LYS 13 22.620 15.198 0.258
106 HD2 LYS 13 HD2 LYS 13 22.160 17.210 1.674
107 HD3 LYS 13 HD1 LYS 13 23.751 17.851 1.251
108 HE2 LYS 13 HE2 LYS 13 23.065 17.889 -1.146
109 HE3 LYS 13 HE1 LYS 13 21.464 17.311 -0.685
110 HZ1 LYS 13 HZ1 LYS 13 21.159 19.323 0.607
111 HZ2 LYS 13 HZ2 LYS 13 21.511 19.698 -1.003
112 HZ3 LYS 13 HZ3 LYS 13 22.701 19.865 0.181
113 H ARG 14 HN ARG 14 24.567 12.667 -0.639
114 HA ARG 14 HA ARG 14 27.032 13.871 -1.598
115 HB2 ARG 14 HB2 ARG 14 28.228 11.786 -2.016
116 HB3 ARG 14 HB1 ARG 14 27.806 11.843 -0.308
117 HG2 ARG 14 HG2 ARG 14 25.820 10.364 -0.828
118 HG3 ARG 14 HG1 ARG 14 26.455 10.195 -2.470
119 HD2 ARG 14 HD2 ARG 14 27.847 9.373 0.100
120 HD3 ARG 14 HD1 ARG 14 27.081 8.284 -1.065
121 HE ARG 14 HE ARG 14 29.400 9.978 -1.802
122 HH11 ARG 14 HH11 ARG 14 27.890 6.813 -1.708
123 HH12 ARG 14 HH12 ARG 14 29.233 6.028 -2.476
124 HH21 ARG 14 HH21 ARG 14 31.151 8.941 -2.789
125 HH22 ARG 14 HH22 ARG 14 31.076 7.228 -3.081
126 H VAL 15 HN VAL 15 27.453 12.995 -3.925
127 HA VAL 15 HA VAL 15 24.918 12.224 -5.253
128 HB VAL 15 HB VAL 15 25.616 14.518 -5.899
129 HG11 VAL 15 HG11 VAL 15 27.655 14.934 -7.236
130 HG12 VAL 15 HG12 VAL 15 28.141 13.251 -7.028
131 HG13 VAL 15 HG13 VAL 15 28.059 14.322 -5.629
132 HG21 VAL 15 HG21 VAL 15 24.346 13.175 -7.518
133 HG22 VAL 15 HG22 VAL 15 25.843 12.518 -8.182
134 HG23 VAL 15 HG23 VAL 15 25.481 14.236 -8.361
135 H ARG 16 HN ARG 16 25.028 10.592 -6.773
136 HA ARG 16 HA ARG 16 27.504 9.161 -7.309
137 HB2 ARG 16 HB2 ARG 16 26.643 8.308 -5.081
138 HB3 ARG 16 HB1 ARG 16 25.166 7.808 -5.885
139 HG2 ARG 16 HG2 ARG 16 26.371 5.821 -5.759
140 HG3 ARG 16 HG1 ARG 16 26.726 6.358 -7.402
141 HD2 ARG 16 HD2 ARG 16 28.541 6.802 -4.996
142 HD3 ARG 16 HD1 ARG 16 28.730 5.494 -6.156
143 HE ARG 16 HE ARG 16 29.271 7.131 -7.856
144 HH11 ARG 16 HH11 ARG 16 29.225 8.448 -4.618
145 HH12 ARG 16 HH12 ARG 16 30.342 9.714 -4.987
146 HH21 ARG 16 HH21 ARG 16 30.751 8.803 -8.306
147 HH22 ARG 16 HH22 ARG 16 31.229 9.896 -7.046
148 H LYS 17 HN LYS 17 27.411 8.680 -9.413
149 HA LYS 17 HA LYS 17 26.735 8.152 -11.512
150 HB2 LYS 17 HB2 LYS 17 24.365 6.796 -10.149
151 HB3 LYS 17 HB1 LYS 17 24.950 6.479 -11.785
152 HG2 LYS 17 HG2 LYS 17 27.112 5.665 -10.785
153 HG3 LYS 17 HG1 LYS 17 26.404 5.884 -9.183
154 HD2 LYS 17 HD2 LYS 17 26.208 3.547 -9.768
155 HD3 LYS 17 HD1 LYS 17 24.588 4.251 -9.820
156 HE2 LYS 17 HE2 LYS 17 24.937 2.768 -11.745
157 HE3 LYS 17 HE1 LYS 17 24.771 4.435 -12.296
158 HZ1 LYS 17 HZ1 LYS 17 27.198 4.559 -12.455
159 HZ2 LYS 17 HZ2 LYS 17 26.563 3.348 -13.443
160 HZ3 LYS 17 HZ3 LYS 17 27.322 2.937 -11.990
161 H GLY 18 HN GLY 18 25.870 10.695 -10.369
162 HA2 GLY 18 HA2 GLY 18 24.829 12.531 -11.380
163 HA3 GLY 18 HA1 GLY 18 23.819 11.445 -12.319
164 H LYS 19 HN LYS 19 23.421 10.123 -9.437
165 HA LYS 19 HA LYS 19 21.001 11.701 -8.818
166 HB2 LYS 19 HB2 LYS 19 21.721 8.790 -8.240
167 HB3 LYS 19 HB1 LYS 19 20.249 9.580 -7.659
168 HG2 LYS 19 HG2 LYS 19 21.000 9.269 -10.582
169 HG3 LYS 19 HG1 LYS 19 19.919 8.179 -9.704
170 HD2 LYS 19 HD2 LYS 19 18.350 10.047 -9.309
171 HD3 LYS 19 HD1 LYS 19 19.435 11.162 -10.150
172 HE2 LYS 19 HE2 LYS 19 19.115 9.907 -12.246
173 HE3 LYS 19 HE1 LYS 19 18.091 8.738 -11.408
174 HZ1 LYS 19 HZ1 LYS 19 16.518 10.525 -10.955
175 HZ2 LYS 19 HZ2 LYS 19 16.788 10.336 -12.612
176 HZ3 LYS 19 HZ3 LYS 19 17.503 11.621 -11.786
177 H VAL 20 HN VAL 20 21.187 12.995 -7.096
178 HA VAL 20 HA VAL 20 23.246 12.788 -5.131
179 HB VAL 20 HB VAL 20 20.661 14.422 -4.999
180 HG11 VAL 20 HG11 VAL 20 21.719 14.249 -2.786
181 HG12 VAL 20 HG12 VAL 20 21.900 15.887 -3.411
182 HG13 VAL 20 HG13 VAL 20 23.269 14.772 -3.453
183 HG21 VAL 20 HG21 VAL 20 21.954 14.979 -7.029
184 HG22 VAL 20 HG22 VAL 20 23.398 15.265 -6.053
185 HG23 VAL 20 HG23 VAL 20 21.990 16.318 -5.878
186 H GLU 21 HN GLU 21 23.284 11.224 -3.685
187 HA GLU 21 HA GLU 21 20.845 9.904 -2.752
188 HB2 GLU 21 HB2 GLU 21 23.743 8.997 -2.575
189 HB3 GLU 21 HB1 GLU 21 22.355 8.088 -1.966
190 HG2 GLU 21 HG2 GLU 21 21.459 8.019 -4.313
191 HG3 GLU 21 HG1 GLU 21 22.957 8.768 -4.871
192 H TYR 22 HN TYR 22 20.447 9.588 -0.625
193 HA TYR 22 HA TYR 22 21.843 11.314 1.319
194 HB2 TYR 22 HB2 TYR 22 18.819 10.901 1.057
195 HB3 TYR 22 HB1 TYR 22 19.630 11.888 2.266
196 HD1 TYR 22 HD2 TYR 22 18.728 11.671 -1.335
197 HD2 TYR 22 HD1 TYR 22 20.390 14.137 1.732
198 HE1 TYR 22 HE2 TYR 22 18.566 13.628 -2.805
199 HE2 TYR 22 HE1 TYR 22 20.206 16.083 0.257
200 HH TYR 22 HH TYR 22 18.409 16.059 -2.622
201 H LEU 23 HN LEU 23 22.723 9.901 2.760
202 HA LEU 23 HA LEU 23 21.610 7.418 3.602
203 HB2 LEU 23 HB2 LEU 23 24.004 8.201 3.954
204 HB3 LEU 23 HB1 LEU 23 23.409 9.317 5.169
205 HG LEU 23 HG LEU 23 22.597 7.364 6.522
206 HD11 LEU 23 HD11 LEU 23 23.347 5.104 5.971
207 HD12 LEU 23 HD12 LEU 23 24.036 5.680 4.453
208 HD13 LEU 23 HD13 LEU 23 22.292 5.747 4.715
209 HD21 LEU 23 HD21 LEU 23 25.567 7.314 5.864
210 HD22 LEU 23 HD22 LEU 23 24.819 6.642 7.317
211 HD23 LEU 23 HD23 LEU 23 24.776 8.381 7.030
212 H VAL 24 HN VAL 24 19.506 7.470 4.336
213 HA VAL 24 HA VAL 24 18.470 9.827 5.689
214 HB VAL 24 HB VAL 24 16.911 7.273 5.113
215 HG11 VAL 24 HG11 VAL 24 15.974 10.154 5.438
216 HG12 VAL 24 HG12 VAL 24 15.801 8.865 6.630
217 HG13 VAL 24 HG13 VAL 24 14.941 8.762 5.093
218 HG21 VAL 24 HG21 VAL 24 17.302 9.592 3.193
219 HG22 VAL 24 HG22 VAL 24 16.196 8.233 2.967
220 HG23 VAL 24 HG23 VAL 24 17.938 7.955 3.000
221 H LYS 25 HN LYS 25 18.666 9.952 7.901
222 HA LYS 25 HA LYS 25 18.833 7.518 9.496
223 HB2 LYS 25 HB2 LYS 25 20.174 9.447 10.239
224 HB3 LYS 25 HB1 LYS 25 18.724 10.434 10.404
225 HG2 LYS 25 HG2 LYS 25 19.525 9.590 12.595
226 HG3 LYS 25 HG1 LYS 25 17.901 9.008 12.215
227 HD2 LYS 25 HD2 LYS 25 19.023 6.846 11.374
228 HD3 LYS 25 HD1 LYS 25 20.516 7.447 12.099
229 HE2 LYS 25 HE2 LYS 25 17.915 6.844 13.553
230 HE3 LYS 25 HE1 LYS 25 19.391 5.882 13.610
231 HZ1 LYS 25 HZ1 LYS 25 20.503 7.791 14.653
232 HZ2 LYS 25 HZ2 LYS 25 19.201 7.227 15.573
233 HZ3 LYS 25 HZ3 LYS 25 19.039 8.640 14.659
234 H TRP 26 HN TRP 26 17.060 6.439 9.855
235 HA TRP 26 HA TRP 26 14.397 7.600 9.793
236 HB2 TRP 26 HB2 TRP 26 15.269 4.729 10.394
237 HB3 TRP 26 HB1 TRP 26 13.647 5.267 9.941
238 HD1 TRP 26 HD1 TRP 26 16.961 4.208 8.458
239 HE1 TRP 26 HE1 TRP 26 16.836 4.264 5.891
240 HE3 TRP 26 HE3 TRP 26 12.497 6.631 7.905
241 HZ2 TRP 26 HZ2 TRP 26 15.098 5.217 3.894
242 HZ3 TRP 26 HZ3 TRP 26 11.673 7.077 5.632
243 HH2 TRP 26 HH2 TRP 26 12.945 6.385 3.663
244 H LYS 27 HN LYS 27 13.282 8.201 11.604
245 HA LYS 27 HA LYS 27 14.729 8.773 13.949
246 HB2 LYS 27 HB2 LYS 27 12.876 10.158 13.105
247 HB3 LYS 27 HB1 LYS 27 11.731 8.869 13.448
248 HG2 LYS 27 HG2 LYS 27 12.045 9.119 15.833
249 HG3 LYS 27 HG1 LYS 27 13.376 10.256 15.593
250 HD2 LYS 27 HD2 LYS 27 10.475 10.750 14.779
251 HD3 LYS 27 HD1 LYS 27 11.242 11.389 16.238
252 HE2 LYS 27 HE2 LYS 27 12.805 12.697 14.886
253 HE3 LYS 27 HE1 LYS 27 12.169 11.992 13.402
254 HZ1 LYS 27 HZ1 LYS 27 11.292 14.183 13.757
255 HZ2 LYS 27 HZ2 LYS 27 10.696 13.750 15.274
256 HZ3 LYS 27 HZ3 LYS 27 10.039 13.053 13.880
257 H GLY 28 HN GLY 28 12.281 6.286 13.280
258 HA2 GLY 28 HA2 GLY 28 12.295 5.289 16.031
259 HA3 GLY 28 HA1 GLY 28 11.258 4.760 14.722
260 H TRP 29 HN TRP 29 14.421 4.794 13.581
261 HA TRP 29 HA TRP 29 14.830 1.915 14.205
262 HB2 TRP 29 HB2 TRP 29 15.276 3.388 11.566
263 HB3 TRP 29 HB1 TRP 29 15.909 1.775 11.882
264 HD1 TRP 29 HD1 TRP 29 12.405 3.510 11.924
265 HE1 TRP 29 HE1 TRP 29 10.681 1.816 11.078
266 HE3 TRP 29 HE3 TRP 29 15.474 -0.516 11.158
267 HZ2 TRP 29 HZ2 TRP 29 10.607 -0.838 10.166
268 HZ3 TRP 29 HZ3 TRP 29 14.497 -2.591 10.270
269 HH2 TRP 29 HH2 TRP 29 12.105 -2.752 9.784
270 HA PRO 30 HA PRO 30 18.879 3.151 15.707
271 HB2 PRO 30 HB2 PRO 30 20.236 0.745 15.365
272 HB3 PRO 30 HB1 PRO 30 19.145 1.084 16.716
273 HG2 PRO 30 HG2 PRO 30 18.608 -0.417 14.171
274 HG3 PRO 30 HG1 PRO 30 18.103 -0.806 15.829
275 HD2 PRO 30 HD2 PRO 30 16.400 0.326 14.049
276 HD3 PRO 30 HD1 PRO 30 16.328 0.712 15.781
277 HA PRO 31 HA PRO 31 21.208 4.945 12.477
278 HB2 PRO 31 HB2 PRO 31 23.652 3.621 13.695
279 HB3 PRO 31 HB1 PRO 31 23.440 5.291 13.130
280 HG2 PRO 31 HG2 PRO 31 23.247 4.779 15.720
281 HG3 PRO 31 HG1 PRO 31 22.075 5.876 14.958
282 HD2 PRO 31 HD2 PRO 31 21.704 3.029 15.851
283 HD3 PRO 31 HD1 PRO 31 20.550 4.380 15.874
284 H LYS 32 HN LYS 32 21.988 1.455 12.795
285 HA LYS 32 HA LYS 32 23.527 1.341 10.381
286 HB2 LYS 32 HB2 LYS 32 23.606 -1.057 10.633
287 HB3 LYS 32 HB1 LYS 32 23.881 -0.296 12.193
288 HG2 LYS 32 HG2 LYS 32 21.662 -0.902 12.962
289 HG3 LYS 32 HG1 LYS 32 21.208 -1.471 11.349
290 HD2 LYS 32 HD2 LYS 32 22.979 -3.234 11.508
291 HD3 LYS 32 HD1 LYS 32 23.339 -2.703 13.155
292 HE2 LYS 32 HE2 LYS 32 21.113 -3.373 13.889
293 HE3 LYS 32 HE1 LYS 32 20.642 -3.767 12.233
294 HZ1 LYS 32 HZ1 LYS 32 22.339 -5.486 12.216
295 HZ2 LYS 32 HZ2 LYS 32 21.226 -5.744 13.463
296 HZ3 LYS 32 HZ3 LYS 32 22.760 -5.120 13.812
297 H TYR 33 HN TYR 33 20.128 1.311 10.912
298 HA TYR 33 HA TYR 33 19.476 0.061 8.345
299 HB2 TYR 33 HB2 TYR 33 17.739 1.277 10.529
300 HB3 TYR 33 HB1 TYR 33 17.087 0.631 9.023
301 HD1 TYR 33 HD1 TYR 33 17.238 -1.809 8.527
302 HD2 TYR 33 HD2 TYR 33 18.504 -0.225 12.290
303 HE1 TYR 33 HE1 TYR 33 17.141 -4.059 9.501
304 HE2 TYR 33 HE2 TYR 33 18.400 -2.485 13.263
305 HH TYR 33 HH TYR 33 17.238 -4.621 12.837
306 H SER 34 HN SER 34 20.694 3.007 9.098
307 HA SER 34 HA SER 34 19.109 4.808 7.595
308 HB2 SER 34 HB2 SER 34 21.158 6.232 7.530
309 HB3 SER 34 HB1 SER 34 20.851 5.610 9.151
310 HG SER 34 HG SER 34 22.463 3.955 7.674
311 H THR 35 HN THR 35 18.848 4.976 5.436
312 HA THR 35 HA THR 35 20.370 3.110 3.688
313 HB THR 35 HB THR 35 18.231 3.154 2.286
314 HG1 THR 35 HG1 THR 35 17.199 4.963 3.029
315 HG21 THR 35 HG21 THR 35 18.720 1.253 3.810
316 HG22 THR 35 HG22 THR 35 16.988 1.584 3.725
317 HG23 THR 35 HG23 THR 35 17.919 2.110 5.128
318 H TRP 36 HN TRP 36 21.547 3.969 2.049
319 HA TRP 36 HA TRP 36 21.538 6.772 1.358
320 HB2 TRP 36 HB2 TRP 36 22.934 4.405 0.028
321 HB3 TRP 36 HB1 TRP 36 23.190 6.079 -0.421
322 HD1 TRP 36 HD1 TRP 36 24.313 3.460 2.072
323 HE1 TRP 36 HE1 TRP 36 26.271 4.416 3.432
324 HE3 TRP 36 HE3 TRP 36 23.986 8.353 0.629
325 HZ2 TRP 36 HZ2 TRP 36 27.514 6.910 3.846
326 HZ3 TRP 36 HZ3 TRP 36 25.599 9.965 1.556
327 HH2 TRP 36 HH2 TRP 36 27.326 9.255 3.136
328 H GLU 37 HN GLU 37 19.247 6.885 0.702
329 HA GLU 37 HA GLU 37 18.633 5.707 -1.950
330 HB2 GLU 37 HB2 GLU 37 16.702 7.030 0.006
331 HB3 GLU 37 HB1 GLU 37 16.281 6.074 -1.414
332 HG2 GLU 37 HG2 GLU 37 17.444 5.113 1.219
333 HG3 GLU 37 HG1 GLU 37 15.860 4.749 0.544
334 HA PRO 38 HA PRO 38 19.426 9.724 -3.648
335 HB2 PRO 38 HB2 PRO 38 18.296 9.601 -6.096
336 HB3 PRO 38 HB1 PRO 38 19.624 8.521 -5.641
337 HG2 PRO 38 HG2 PRO 38 16.663 7.951 -5.685
338 HG3 PRO 38 HG1 PRO 38 17.994 6.953 -6.304
339 HD2 PRO 38 HD2 PRO 38 16.816 6.544 -3.839
340 HD3 PRO 38 HD1 PRO 38 18.498 6.094 -4.202
341 H GLU 39 HN GLU 39 18.379 11.602 -4.804
342 HA GLU 39 HA GLU 39 16.580 13.014 -3.309
343 HB2 GLU 39 HB2 GLU 39 16.411 14.522 -5.331
344 HB3 GLU 39 HB1 GLU 39 18.058 14.077 -4.887
345 HG2 GLU 39 HG2 GLU 39 17.870 12.214 -6.655
346 HG3 GLU 39 HG1 GLU 39 16.401 13.019 -7.199
347 H GLU 40 HN GLU 40 15.808 10.661 -5.695
348 HA GLU 40 HA GLU 40 13.197 11.146 -6.454
349 HB2 GLU 40 HB2 GLU 40 14.755 9.430 -7.368
350 HB3 GLU 40 HB1 GLU 40 14.569 8.489 -5.899
351 HG2 GLU 40 HG2 GLU 40 13.250 7.542 -7.707
352 HG3 GLU 40 HG1 GLU 40 12.206 8.116 -6.404
353 H HIS 41 HN HIS 41 14.348 9.992 -3.329
354 HA HIS 41 HA HIS 41 11.856 8.654 -2.628
355 HB2 HIS 41 HB2 HIS 41 13.032 7.607 -0.864
356 HB3 HIS 41 HB1 HIS 41 14.266 7.782 -2.100
357 HD1 HIS 41 HD1 HIS 41 16.354 9.083 -1.429
358 HD2 HIS 41 HD2 HIS 41 13.324 9.442 1.335
359 HE1 HIS 41 HE1 HIS 41 17.360 10.332 0.481
360 HE2 HIS 41 HE2 HIS 41 15.532 10.428 2.199
361 H ILE 42 HN ILE 42 12.890 11.842 -2.411
362 HA ILE 42 HA ILE 42 12.155 12.428 0.342
363 HB ILE 42 HB ILE 42 12.900 14.317 -1.954
364 HG12 ILE 42 HG12 ILE 42 14.739 12.694 -1.336
365 HG13 ILE 42 HG11 ILE 42 15.171 14.379 -1.079
366 HG21 ILE 42 HG21 ILE 42 13.383 16.011 -0.203
367 HG22 ILE 42 HG22 ILE 42 12.754 14.913 1.027
368 HG23 ILE 42 HG23 ILE 42 11.682 15.541 -0.225
369 HD11 ILE 42 HD11 ILE 42 15.977 12.924 0.706
370 HD12 ILE 42 HD12 ILE 42 14.321 12.452 1.084
371 HD13 ILE 42 HD13 ILE 42 14.839 14.124 1.321
372 H LEU 43 HN LEU 43 10.103 12.839 1.045
373 HA LEU 43 HA LEU 43 8.031 13.594 -0.929
374 HB2 LEU 43 HB2 LEU 43 7.818 12.638 1.950
375 HB3 LEU 43 HB1 LEU 43 6.442 13.211 1.021
376 HG LEU 43 HG LEU 43 7.072 11.354 -0.688
377 HD11 LEU 43 HD11 LEU 43 8.560 10.255 1.677
378 HD12 LEU 43 HD12 LEU 43 9.257 10.796 0.152
379 HD13 LEU 43 HD13 LEU 43 8.195 9.394 0.179
380 HD21 LEU 43 HD21 LEU 43 5.960 10.570 2.024
381 HD22 LEU 43 HD22 LEU 43 5.737 9.678 0.518
382 HD23 LEU 43 HD23 LEU 43 5.040 11.285 0.695
383 H ASP 44 HN ASP 44 10.009 15.114 1.415
384 HA ASP 44 HA ASP 44 8.519 17.611 1.191
385 HB2 ASP 44 HB2 ASP 44 7.526 16.437 3.156
386 HB3 ASP 44 HB1 ASP 44 9.117 16.326 3.892
387 HA PRO 45 HA PRO 45 12.759 18.848 0.686
388 HB2 PRO 45 HB2 PRO 45 12.507 21.583 0.820
389 HB3 PRO 45 HB1 PRO 45 11.949 20.624 -0.561
390 HG2 PRO 45 HG2 PRO 45 10.354 21.622 1.811
391 HG3 PRO 45 HG1 PRO 45 9.963 21.750 0.081
392 HD2 PRO 45 HD2 PRO 45 8.864 19.832 1.604
393 HD3 PRO 45 HD1 PRO 45 9.348 19.482 -0.073
394 H ARG 46 HN ARG 46 11.023 19.844 3.619
395 HA ARG 46 HA ARG 46 13.146 21.084 5.034
396 HB2 ARG 46 HB2 ARG 46 10.790 19.513 6.145
397 HB3 ARG 46 HB1 ARG 46 11.849 20.534 7.112
398 HG2 ARG 46 HG2 ARG 46 10.205 21.630 4.810
399 HG3 ARG 46 HG1 ARG 46 9.555 21.471 6.443
400 HD2 ARG 46 HD2 ARG 46 10.285 23.717 6.257
401 HD3 ARG 46 HD1 ARG 46 11.513 22.909 7.230
402 HE ARG 46 HE ARG 46 12.267 22.894 4.490
403 HH11 ARG 46 HH11 ARG 46 12.049 25.070 7.236
404 HH12 ARG 46 HH12 ARG 46 13.179 26.204 6.569
405 HH21 ARG 46 HH21 ARG 46 13.785 24.403 3.667
406 HH22 ARG 46 HH22 ARG 46 14.169 25.818 4.591
407 H LEU 47 HN LEU 47 12.597 17.730 4.292
408 HA LEU 47 HA LEU 47 14.017 16.458 6.355
409 HB2 LEU 47 HB2 LEU 47 12.588 15.301 4.715
410 HB3 LEU 47 HB1 LEU 47 13.727 15.659 3.434
411 HG LEU 47 HG LEU 47 15.332 14.096 4.267
412 HD11 LEU 47 HD11 LEU 47 15.307 14.558 6.634
413 HD12 LEU 47 HD12 LEU 47 15.060 12.832 6.388
414 HD13 LEU 47 HD13 LEU 47 13.692 13.867 6.803
415 HD21 LEU 47 HD21 LEU 47 12.579 12.851 4.567
416 HD22 LEU 47 HD22 LEU 47 14.087 11.970 4.294
417 HD23 LEU 47 HD23 LEU 47 13.472 13.062 3.056
418 H VAL 48 HN VAL 48 15.157 17.733 3.255
419 HA VAL 48 HA VAL 48 17.961 17.163 3.826
420 HB VAL 48 HB VAL 48 16.668 18.599 1.460
421 HG11 VAL 48 HG11 VAL 48 19.508 17.529 1.745
422 HG12 VAL 48 HG12 VAL 48 19.039 19.229 1.677
423 HG13 VAL 48 HG13 VAL 48 18.807 18.196 0.268
424 HG21 VAL 48 HG21 VAL 48 17.565 15.694 1.706
425 HG22 VAL 48 HG22 VAL 48 16.958 16.458 0.236
426 HG23 VAL 48 HG23 VAL 48 15.894 16.261 1.630
427 H MET 49 HN MET 49 15.856 19.959 3.370
428 HA MET 49 HA MET 49 17.772 21.985 3.546
429 HB2 MET 49 HB2 MET 49 14.761 22.062 4.002
430 HB3 MET 49 HB1 MET 49 15.780 23.505 3.983
431 HG2 MET 49 HG2 MET 49 15.389 21.576 1.684
432 HG3 MET 49 HG1 MET 49 14.697 23.192 1.833
433 HE1 MET 49 HE1 MET 49 15.659 23.839 -0.595
434 HE2 MET 49 HE2 MET 49 16.343 22.219 -0.753
435 HE3 MET 49 HE3 MET 49 17.350 23.636 -1.046
436 H ALA 50 HN ALA 50 15.477 20.858 6.106
437 HA ALA 50 HA ALA 50 16.485 22.580 8.119
438 HB1 ALA 50 HB1 ALA 50 15.213 21.271 9.731
439 HB2 ALA 50 HB2 ALA 50 14.986 19.990 8.536
440 HB3 ALA 50 HB3 ALA 50 14.247 21.569 8.280
441 H TYR 51 HN TYR 51 17.477 19.330 7.069
442 HA TYR 51 HA TYR 51 19.243 18.634 9.142
443 HB2 TYR 51 HB2 TYR 51 18.983 16.886 7.609
444 HB3 TYR 51 HB1 TYR 51 19.053 17.949 6.212
445 HD1 TYR 51 HD2 TYR 51 21.402 16.916 8.998
446 HD2 TYR 51 HD1 TYR 51 20.886 17.566 4.803
447 HE1 TYR 51 HE2 TYR 51 23.737 16.272 8.601
448 HE2 TYR 51 HE1 TYR 51 23.228 16.919 4.411
449 HH TYR 51 HH TYR 51 25.355 16.857 5.705
450 H GLU 52 HN GLU 52 19.995 20.348 6.096
451 HA GLU 52 HA GLU 52 22.647 21.134 6.872
452 HB2 GLU 52 HB2 GLU 52 20.841 22.212 4.666
453 HB3 GLU 52 HB1 GLU 52 22.570 22.500 4.799
454 HG2 GLU 52 HG2 GLU 52 23.031 20.137 4.390
455 HG3 GLU 52 HG1 GLU 52 21.301 19.775 4.359
456 H GLU 53 HN GLU 53 19.564 22.295 7.641
457 HA GLU 53 HA GLU 53 18.535 24.161 8.300
458 HB2 GLU 53 HB2 GLU 53 21.327 25.070 9.090
459 HB3 GLU 53 HB1 GLU 53 19.833 25.855 9.603
460 HG2 GLU 53 HG2 GLU 53 19.160 23.876 10.846
461 HG3 GLU 53 HG1 GLU 53 20.528 22.959 10.218
462 H LYS 54 HN LYS 54 19.632 23.783 5.632
463 HA LYS 54 HA LYS 54 20.395 26.199 4.381
464 HB2 LYS 54 HB2 LYS 54 20.793 23.827 3.523
465 HB3 LYS 54 HB1 LYS 54 19.084 23.723 3.148
466 HG2 LYS 54 HG2 LYS 54 20.258 24.193 1.112
467 HG3 LYS 54 HG1 LYS 54 19.367 25.649 1.562
468 HD2 LYS 54 HD2 LYS 54 21.605 26.252 0.780
469 HD3 LYS 54 HD1 LYS 54 21.454 26.628 2.499
470 HE2 LYS 54 HE2 LYS 54 23.644 25.589 1.947
471 HE3 LYS 54 HE1 LYS 54 22.717 24.615 3.085
472 HZ1 LYS 54 HZ1 LYS 54 22.888 24.105 0.163
473 HZ2 LYS 54 HZ2 LYS 54 22.093 23.134 1.300
474 HZ3 LYS 54 HZ3 LYS 54 23.776 23.282 1.342
475 H GLU 55 HN GLU 55 19.016 27.895 4.502
476 HA GLU 55 HA GLU 55 16.351 27.632 3.297
477 HB2 GLU 55 HB2 GLU 55 16.112 27.734 5.814
478 HB3 GLU 55 HB1 GLU 55 16.910 29.301 5.799
479 HG2 GLU 55 HG2 GLU 55 14.547 29.661 5.976
480 HG3 GLU 55 HG1 GLU 55 15.060 30.194 4.381
481 H GLU 56 HN GLU 56 17.689 28.296 1.474
482 HA GLU 56 HA GLU 56 18.390 31.167 1.375
483 HB2 GLU 56 HB2 GLU 56 18.903 29.021 -0.742
484 HB3 GLU 56 HB1 GLU 56 19.533 30.671 -0.735
485 HG2 GLU 56 HG2 GLU 56 20.779 30.122 1.364
486 HG3 GLU 56 HG1 GLU 56 20.229 28.456 1.216
487 H1 ALA 1 HT1 ALA 1 2.310 21.033 17.693
488 H2 ALA 1 HT2 ALA 1 2.988 19.522 18.034
489 H3 ALA 1 HT3 ALA 1 1.380 19.840 18.446
490 HA ALA 1 HA ALA 1 1.518 18.453 16.498
491 HB1 ALA 1 HB1 ALA 1 -0.397 19.983 16.734
492 HB2 ALA 1 HB2 ALA 1 0.037 19.783 15.037
493 HB3 ALA 1 HB3 ALA 1 0.499 21.254 15.897
494 H ARG 2 HN ARG 2 3.062 17.806 15.143
495 HA ARG 2 HA ARG 2 4.619 19.728 13.521
496 HB2 ARG 2 HB2 ARG 2 5.678 17.261 14.993
497 HB3 ARG 2 HB1 ARG 2 6.599 18.156 13.785
498 HG2 ARG 2 HG2 ARG 2 5.615 19.263 16.440
499 HG3 ARG 2 HG1 ARG 2 7.265 18.730 16.087
500 HD2 ARG 2 HD2 ARG 2 7.500 20.501 14.398
501 HD3 ARG 2 HD1 ARG 2 5.829 21.013 14.671
502 HE ARG 2 HE ARG 2 7.123 21.095 17.133
503 HH11 ARG 2 HH11 ARG 2 7.414 22.804 14.065
504 HH12 ARG 2 HH12 ARG 2 8.003 24.252 14.813
505 HH21 ARG 2 HH21 ARG 2 7.885 23.004 18.065
506 HH22 ARG 2 HH22 ARG 2 8.284 24.364 17.066
507 H THR 3 HN THR 3 5.148 19.027 11.481
508 HA THR 3 HA THR 3 3.735 16.648 10.437
509 HB THR 3 HB THR 3 4.915 19.031 8.919
510 HG1 THR 3 HG1 THR 3 2.171 18.475 9.439
511 HG21 THR 3 HG21 THR 3 3.052 16.816 7.964
512 HG22 THR 3 HG22 THR 3 4.754 16.976 7.523
513 HG23 THR 3 HG23 THR 3 3.590 18.199 7.007
514 H LYS 4 HN LYS 4 5.009 14.900 10.295
515 HA LYS 4 HA LYS 4 7.848 14.886 10.190
516 HB2 LYS 4 HB2 LYS 4 5.868 12.679 9.458
517 HB3 LYS 4 HB1 LYS 4 7.603 12.452 9.682
518 HG2 LYS 4 HG2 LYS 4 7.383 13.129 12.057
519 HG3 LYS 4 HG1 LYS 4 5.640 13.339 11.837
520 HD2 LYS 4 HD2 LYS 4 5.445 10.926 11.261
521 HD3 LYS 4 HD1 LYS 4 7.181 10.727 11.511
522 HE2 LYS 4 HE2 LYS 4 5.946 9.944 13.471
523 HE3 LYS 4 HE1 LYS 4 6.890 11.376 13.886
524 HZ1 LYS 4 HZ1 LYS 4 4.903 12.708 13.731
525 HZ2 LYS 4 HZ2 LYS 4 4.638 11.425 14.796
526 HZ3 LYS 4 HZ3 LYS 4 3.991 11.375 13.236
527 H GLN 5 HN GLN 5 9.220 14.783 8.465
528 HA GLN 5 HA GLN 5 8.397 15.951 6.037
529 HB2 GLN 5 HB2 GLN 5 11.027 14.571 6.625
530 HB3 GLN 5 HB1 GLN 5 10.710 15.669 5.287
531 HG2 GLN 5 HG2 GLN 5 11.704 17.181 6.677
532 HG3 GLN 5 HG1 GLN 5 10.081 17.327 7.334
533 HE21 GLN 5 HE21 GLN 5 12.710 17.822 8.575
534 HE22 GLN 5 HE22 GLN 5 12.769 16.835 9.987
535 H THR 6 HN THR 6 9.298 12.658 6.928
536 HA THR 6 HA THR 6 8.725 10.630 6.188
537 HB THR 6 HB THR 6 6.807 11.945 4.209
538 HG1 THR 6 HG1 THR 6 6.243 12.697 6.209
539 HG21 THR 6 HG21 THR 6 7.159 9.519 3.806
540 HG22 THR 6 HG22 THR 6 5.535 9.846 4.413
541 HG23 THR 6 HG23 THR 6 6.759 9.179 5.494
542 H ALA 7 HN ALA 7 9.506 9.139 4.740
543 HA ALA 7 HA ALA 7 10.634 9.999 2.181
544 HB1 ALA 7 HB1 ALA 7 12.399 10.496 3.763
545 HB2 ALA 7 HB2 ALA 7 12.864 9.120 2.768
546 HB3 ALA 7 HB3 ALA 7 12.321 8.865 4.425
547 H ARG 8 HN ARG 8 10.420 8.477 0.702
548 HA ARG 8 HA ARG 8 9.739 5.743 1.229
549 HB2 ARG 8 HB2 ARG 8 10.722 7.147 -1.297
550 HB3 ARG 8 HB1 ARG 8 10.207 5.463 -1.251
551 HG2 ARG 8 HG2 ARG 8 7.932 6.115 -0.693
552 HG3 ARG 8 HG1 ARG 8 8.408 7.805 -0.550
553 HD2 ARG 8 HD2 ARG 8 7.251 7.362 -2.682
554 HD3 ARG 8 HD1 ARG 8 8.911 7.899 -2.945
555 HE ARG 8 HE ARG 8 9.195 5.233 -3.022
556 HH11 ARG 8 HH11 ARG 8 6.852 7.290 -4.655
557 HH12 ARG 8 HH12 ARG 8 6.773 6.266 -6.049
558 HH21 ARG 8 HH21 ARG 8 9.066 3.929 -4.874
559 HH22 ARG 8 HH22 ARG 8 8.012 4.383 -6.177
560 H M3L 9 HN M3L 9 11.116 3.903 0.607
561 HA M3L 9 HA M3L 9 14.029 4.428 0.789
562 HB2 M3L 9 HB2 M3L 9 12.605 1.741 1.106
563 HB3 M3L 9 HB1 M3L 9 14.302 2.101 1.444
564 HG2 M3L 9 HG2 M3L 9 13.478 3.748 3.208
565 HG3 M3L 9 HG1 M3L 9 11.863 3.076 2.971
566 HD2 M3L 9 HD2 M3L 9 12.642 0.873 3.750
567 HD3 M3L 9 HD1 M3L 9 14.299 1.481 3.888
568 HE2 M3L 9 HE2 M3L 9 13.405 3.214 5.533
569 HE3 M3L 9 HE1 M3L 9 11.874 2.344 5.511
570 HM11 M3L 9 HH33 M3L 9 15.370 0.522 7.231
571 HM12 M3L 9 HH31 M3L 9 15.486 2.119 6.486
572 HM13 M3L 9 HH32 M3L 9 15.254 0.687 5.480
573 HM21 M3L 9 HH11 M3L 9 13.175 -0.706 7.263
574 HM22 M3L 9 HH12 M3L 9 13.043 -0.539 5.511
575 HM23 M3L 9 HH13 M3L 9 11.735 0.026 6.551
576 HM31 M3L 9 HH21 M3L 9 12.081 2.079 8.004
577 HM32 M3L 9 HH22 M3L 9 13.621 2.939 7.956
578 HM33 M3L 9 HH23 M3L 9 13.525 1.342 8.698
579 H SER 10 HN SER 10 12.043 1.904 -0.742
580 HA SER 10 HA SER 10 12.656 2.742 -3.431
581 HB2 SER 10 HB2 SER 10 13.819 0.606 -4.049
582 HB3 SER 10 HB1 SER 10 14.755 1.539 -2.884
583 HG SER 10 HG SER 10 13.177 -0.767 -2.406
584 H THR 11 HN THR 11 11.442 1.463 -4.996
585 HA THR 11 HA THR 11 9.014 0.253 -4.007
586 HB THR 11 HB THR 11 10.078 0.439 -6.866
587 HG1 THR 11 HG1 THR 11 7.991 2.052 -6.011
588 HG21 THR 11 HG21 THR 11 7.714 0.095 -7.543
589 HG22 THR 11 HG22 THR 11 7.250 -0.101 -5.852
590 HG23 THR 11 HG23 THR 11 8.299 -1.294 -6.620
591 H GLY 12 HN GLY 12 9.471 -1.621 -2.927
592 HA2 GLY 12 HA2 GLY 12 11.211 -3.707 -3.711
593 HA3 GLY 12 HA1 GLY 12 9.856 -3.850 -2.604
594 H GLY 13 HN GLY 13 10.915 -4.232 -5.890
595 HA2 GLY 13 HA2 GLY 13 8.673 -6.004 -6.504
596 HA3 GLY 13 HA1 GLY 13 8.778 -4.542 -7.484
597 H LYS 14 HN LYS 14 10.947 -4.135 -8.506
598 HA LYS 14 HA LYS 14 12.224 -6.641 -9.437
599 HB2 LYS 14 HB2 LYS 14 11.031 -5.324 -11.192
600 HB3 LYS 14 HB1 LYS 14 12.033 -3.924 -10.828
601 HG2 LYS 14 HG2 LYS 14 14.012 -5.027 -11.684
602 HG3 LYS 14 HG1 LYS 14 13.158 -6.565 -11.824
603 HD2 LYS 14 HD2 LYS 14 13.399 -5.540 -14.041
604 HD3 LYS 14 HD1 LYS 14 11.697 -5.607 -13.585
605 HE2 LYS 14 HE2 LYS 14 12.136 -3.468 -14.630
606 HE3 LYS 14 HE1 LYS 14 11.842 -3.183 -12.914
607 HZ1 LYS 14 HZ1 LYS 14 14.486 -3.272 -14.262
608 HZ2 LYS 14 HZ2 LYS 14 14.259 -3.081 -12.598
609 HZ3 LYS 14 HZ3 LYS 14 13.709 -1.895 -13.664
610 H ALA 15 HN ALA 15 14.432 -6.828 -9.319
611 HA ALA 15 HA ALA 15 15.826 -5.149 -7.413
612 HB1 ALA 15 HB1 ALA 15 16.037 -7.608 -7.301
613 HB2 ALA 15 HB2 ALA 15 17.610 -6.851 -7.558
614 HB3 ALA 15 HB3 ALA 15 16.774 -7.631 -8.906