Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
607750 | 5lcs RC | 34014 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 HT2 PCA 1 -9.705 6.380 -1.461
2 HA PCA 1 HA PCA 1 -10.542 4.411 -1.284
3 HB2 PCA 1 HB2 PCA 1 -11.094 3.600 0.772
4 HB3 PCA 1 HB3 PCA 1 -12.390 4.788 0.970
5 HG2 PCA 1 HG2 PCA 1 -9.602 4.944 1.871
6 HG3 PCA 1 HG3 PCA 1 -10.984 5.989 2.307
7 HT1 PCA 1 HT1 PCA 1 -11.091 7.149 -0.996
8 HA PRO 2 HA PRO 2 -14.420 5.824 -3.289
9 HB2 PRO 2 HB3 PRO 2 -13.646 4.034 -5.441
10 HB3 PRO 2 HB2 PRO 2 -13.864 5.784 -5.494
11 HG2 PRO 2 HG3 PRO 2 -11.438 4.575 -5.762
12 HG3 PRO 2 HG2 PRO 2 -11.646 6.204 -5.091
13 HD2 PRO 2 HD3 PRO 2 -11.246 3.597 -3.660
14 HD3 PRO 2 HD2 PRO 2 -10.522 5.188 -3.326
15 H PHE 3 HN PHE 3 -12.909 2.635 -3.506
16 HA PHE 3 HA PHE 3 -15.370 1.234 -3.029
17 HB2 PHE 3 HB3 PHE 3 -14.138 -0.740 -3.329
18 HB3 PHE 3 HB2 PHE 3 -13.264 0.402 -4.343
19 HD1 PHE 3 HD1 PHE 3 -12.973 -2.022 -1.817
20 HD2 PHE 3 HD2 PHE 3 -11.257 1.634 -3.167
21 HE1 PHE 3 HE1 PHE 3 -10.920 -2.523 -0.562
22 HE2 PHE 3 HE2 PHE 3 -9.205 1.137 -1.911
23 HZ PHE 3 HZ PHE 3 -9.039 -0.940 -0.604
24 H ILE 4 HN ILE 4 -15.529 -0.261 -1.102
25 HA ILE 4 HA ILE 4 -14.684 1.136 1.292
26 HB ILE 4 HB ILE 4 -16.962 0.306 1.267
27 HG12 ILE 4 HG12 ILE 4 -16.935 -1.094 3.345
28 HG13 ILE 4 HG11 ILE 4 -15.187 -1.222 3.179
29 HG21 ILE 4 HG21 ILE 4 -15.734 -2.413 0.844
30 HG22 ILE 4 HG22 ILE 4 -16.814 -1.536 -0.245
31 HG23 ILE 4 HG23 ILE 4 -17.418 -2.141 1.296
32 HD11 ILE 4 HD11 ILE 4 -16.758 1.305 3.616
33 HD12 ILE 4 HD12 ILE 4 -15.013 1.218 3.388
34 HD13 ILE 4 HD13 ILE 4 -15.755 0.467 4.799
35 HA PRO 5 HA PRO 5 -10.848 -1.214 1.355
36 HB2 PRO 5 HB3 PRO 5 -10.920 0.013 4.075
37 HB3 PRO 5 HB2 PRO 5 -9.588 -0.097 2.917
38 HG2 PRO 5 HG3 PRO 5 -10.906 2.183 3.217
39 HG3 PRO 5 HG2 PRO 5 -10.408 1.634 1.606
40 HD2 PRO 5 HD3 PRO 5 -13.106 1.608 2.866
41 HD3 PRO 5 HD2 PRO 5 -12.656 1.862 1.171
42 H ARG 6 HN ARG 6 -11.122 -3.299 1.566
43 HA ARG 6 HA ARG 6 -12.573 -4.533 3.726
44 HB2 ARG 6 HB3 ARG 6 -10.742 -5.878 1.728
45 HB3 ARG 6 HB2 ARG 6 -12.108 -6.581 2.578
46 HG2 ARG 6 HG3 ARG 6 -12.319 -4.424 0.488
47 HG3 ARG 6 HG2 ARG 6 -12.573 -6.144 0.197
48 HD2 ARG 6 HD3 ARG 6 -14.162 -4.424 2.095
49 HD3 ARG 6 HD2 ARG 6 -14.680 -4.917 0.485
50 HE ARG 6 HE ARG 6 -14.020 -7.186 2.049
51 HH11 ARG 6 HH11 ARG 6 -16.492 -4.748 1.630
52 HH12 ARG 6 HH12 ARG 6 -17.760 -5.733 2.280
53 HH21 ARG 6 HH21 ARG 6 -15.677 -8.491 2.899
54 HH22 ARG 6 HH22 ARG 6 -17.294 -7.872 3.010
55 HA PRO 7 HA PRO 7 -9.253 -5.573 6.644
56 HB2 PRO 7 HB3 PRO 7 -9.026 -8.288 5.396
57 HB3 PRO 7 HB2 PRO 7 -9.065 -7.839 7.106
58 HG2 PRO 7 HG3 PRO 7 -11.231 -8.827 5.935
59 HG3 PRO 7 HG2 PRO 7 -11.363 -7.496 7.100
60 HD2 PRO 7 HD3 PRO 7 -11.624 -7.453 4.139
61 HD3 PRO 7 HD2 PRO 7 -12.416 -6.436 5.356
62 H ILE 8 HN ILE 8 -7.144 -5.068 6.577
63 HA ILE 8 HA ILE 8 -5.841 -4.478 4.182
64 HB ILE 8 HB ILE 8 -4.826 -4.720 7.001
65 HG12 ILE 8 HG12 ILE 8 -5.256 -2.374 5.156
66 HG13 ILE 8 HG11 ILE 8 -6.301 -2.833 6.491
67 HG21 ILE 8 HG21 ILE 8 -2.950 -5.286 5.568
68 HG22 ILE 8 HG22 ILE 8 -2.725 -3.677 6.257
69 HG23 ILE 8 HG23 ILE 8 -3.248 -3.854 4.581
70 HD11 ILE 8 HD11 ILE 8 -4.554 -2.310 8.070
71 HD12 ILE 8 HD12 ILE 8 -4.843 -0.930 7.010
72 HD13 ILE 8 HD13 ILE 8 -3.435 -1.960 6.754
73 H ASP 9 HN ASP 9 -4.676 -5.590 2.824
74 HA ASP 9 HA ASP 9 -3.754 -8.275 3.543
75 HB2 ASP 9 HB3 ASP 9 -4.240 -6.952 0.874
76 HB3 ASP 9 HB2 ASP 9 -3.359 -8.473 1.024
77 H THR 10 HN THR 10 -1.641 -8.914 2.662
78 HA THR 10 HA THR 10 0.358 -6.862 3.012
79 HB THR 10 HB THR 10 1.955 -8.763 2.541
80 HG1 THR 10 HG2 THR 10 0.949 -10.877 2.654
81 HG21 THR 10 HG21 THR 10 -0.061 -9.169 4.752
82 HG22 THR 10 HG22 THR 10 1.331 -8.089 4.814
83 HG23 THR 10 HG23 THR 10 1.572 -9.833 4.706
84 H CYS 11 HN CYS 11 2.312 -7.302 1.265
85 HA CYS 11 HA CYS 11 1.543 -5.999 -1.078
86 HB2 CYS 11 HB3 CYS 11 3.851 -6.094 -0.091
87 HB3 CYS 11 HB2 CYS 11 3.993 -7.729 -0.721
88 H ARG 12 HN ARG 12 0.784 -9.129 -0.305
89 HA ARG 12 HA ARG 12 0.959 -10.538 -2.682
90 HB2 ARG 12 HB3 ARG 12 -0.820 -11.889 -1.930
91 HB3 ARG 12 HB2 ARG 12 0.065 -11.394 -0.501
92 HG2 ARG 12 HG3 ARG 12 -1.635 -10.068 0.265
93 HG3 ARG 12 HG2 ARG 12 -2.324 -9.838 -1.347
94 HD2 ARG 12 HD3 ARG 12 -2.823 -12.296 -1.345
95 HD3 ARG 12 HD2 ARG 12 -2.419 -12.304 0.369
96 HE ARG 12 HE ARG 12 -4.255 -10.612 0.616
97 HH11 ARG 12 HH11 ARG 12 -4.277 -12.958 -1.989
98 HH12 ARG 12 HH12 ARG 12 -5.992 -12.881 -2.209
99 HH21 ARG 12 HH21 ARG 12 -6.502 -10.512 0.330
100 HH22 ARG 12 HH22 ARG 12 -7.264 -11.487 -0.892
101 H LEU 13 HN LEU 13 -1.365 -8.020 -1.733
102 HA LEU 13 HA LEU 13 -2.383 -7.867 -4.457
103 HB2 LEU 13 HB3 LEU 13 -2.866 -6.327 -1.924
104 HB3 LEU 13 HB2 LEU 13 -3.265 -5.589 -3.459
105 HG LEU 13 HG LEU 13 -4.786 -7.494 -3.939
106 HD11 LEU 13 HD11 LEU 13 -3.766 -9.196 -2.571
107 HD12 LEU 13 HD12 LEU 13 -5.443 -8.956 -2.081
108 HD13 LEU 13 HD13 LEU 13 -4.134 -8.281 -1.109
109 HD21 LEU 13 HD21 LEU 13 -5.643 -5.418 -3.015
110 HD22 LEU 13 HD22 LEU 13 -5.314 -5.993 -1.379
111 HD23 LEU 13 HD23 LEU 13 -6.531 -6.799 -2.371
112 H ARG 14 HN ARG 14 -0.806 -7.248 -5.868
113 HA ARG 14 HA ARG 14 1.245 -5.463 -4.819
114 HB2 ARG 14 HB3 ARG 14 2.044 -7.660 -5.307
115 HB3 ARG 14 HB2 ARG 14 1.267 -7.656 -6.884
116 HG2 ARG 14 HG3 ARG 14 3.539 -7.318 -7.277
117 HG3 ARG 14 HG2 ARG 14 2.750 -5.753 -7.477
118 HD2 ARG 14 HD3 ARG 14 3.426 -5.133 -5.194
119 HD3 ARG 14 HD2 ARG 14 4.281 -6.674 -5.052
120 HE ARG 14 HE ARG 14 5.108 -5.187 -7.352
121 HH11 ARG 14 HH11 ARG 14 5.535 -5.458 -3.893
122 HH12 ARG 14 HH12 ARG 14 7.165 -4.857 -3.923
123 HH21 ARG 14 HH21 ARG 14 7.237 -4.385 -7.397
124 HH22 ARG 14 HH22 ARG 14 8.120 -4.212 -5.915
125 H ASN 15 HN ASN 15 2.389 -4.158 -6.430
126 HA ASN 15 HA ASN 15 2.682 -2.797 -8.184
127 HB2 ASN 15 HB3 ASN 15 1.858 -4.736 -9.567
128 HB3 ASN 15 HB2 ASN 15 0.252 -4.021 -9.491
129 HD21 ASN 15 HD21 ASN 15 -0.158 -2.110 -10.620
130 HD22 ASN 15 HD22 ASN 15 0.905 -1.526 -11.848
131 H GLY 16 HN GLY 16 1.892 -1.452 -6.293
132 HA2 GLY 16 HA3 GLY 16 -0.068 0.324 -7.587
133 HA3 GLY 16 HA2 GLY 16 -0.041 0.118 -5.840
134 H ILE 17 HN ILE 17 2.529 0.285 -5.101
135 HA ILE 17 HA ILE 17 4.237 1.827 -6.795
136 HB ILE 17 HB ILE 17 3.200 3.121 -4.254
137 HG12 ILE 17 HG12 ILE 17 2.109 3.733 -6.424
138 HG13 ILE 17 HG11 ILE 17 2.864 5.088 -5.592
139 HG21 ILE 17 HG21 ILE 17 5.727 3.822 -5.736
140 HG22 ILE 17 HG22 ILE 17 5.626 3.110 -4.127
141 HG23 ILE 17 HG23 ILE 17 5.023 4.743 -4.408
142 HD11 ILE 17 HD11 ILE 17 4.019 3.591 -7.930
143 HD12 ILE 17 HD12 ILE 17 4.773 4.950 -7.094
144 HD13 ILE 17 HD13 ILE 17 3.263 5.183 -7.976
145 H CYS 18 HN CYS 18 6.414 1.410 -6.217
146 HA CYS 18 HA CYS 18 6.831 0.214 -3.556
147 HB2 CYS 18 HB3 CYS 18 7.995 -0.419 -6.170
148 HB3 CYS 18 HB2 CYS 18 9.201 -0.184 -4.907
149 H PHE 19 HN PHE 19 7.516 1.681 -2.149
150 HA PHE 19 HA PHE 19 8.878 4.066 -3.145
151 HB2 PHE 19 HB3 PHE 19 7.498 3.359 -0.573
152 HB3 PHE 19 HB2 PHE 19 8.557 4.753 -0.667
153 HD1 PHE 19 HD1 PHE 19 5.276 3.558 -1.091
154 HD2 PHE 19 HD2 PHE 19 8.016 6.482 -2.532
155 HE1 PHE 19 HE1 PHE 19 3.399 4.879 -1.974
156 HE2 PHE 19 HE2 PHE 19 6.141 7.800 -3.419
157 HZ PHE 19 HZ PHE 19 3.853 7.088 -3.049
158 HA PRO 20 HA PRO 20 12.599 2.813 -0.969
159 HB2 PRO 20 HB3 PRO 20 14.133 4.909 -1.672
160 HB3 PRO 20 HB2 PRO 20 13.801 3.580 -2.790
161 HG2 PRO 20 HG3 PRO 20 12.670 6.330 -2.725
162 HG3 PRO 20 HG2 PRO 20 12.982 5.273 -4.111
163 HD2 PRO 20 HD3 PRO 20 10.498 5.698 -2.852
164 HD3 PRO 20 HD2 PRO 20 10.879 4.429 -4.030
165 H GLY 21 HN GLY 21 11.986 3.049 1.123
166 HA2 GLY 21 HA3 GLY 21 12.167 4.577 3.082
167 HA3 GLY 21 HA2 GLY 21 11.339 5.766 2.081
168 H ILE 22 HN ILE 22 9.323 6.008 2.915
169 HA ILE 22 HA ILE 22 7.713 3.569 3.218
170 HB ILE 22 HB ILE 22 6.616 4.520 5.236
171 HG12 ILE 22 HG12 ILE 22 8.975 6.412 5.281
172 HG13 ILE 22 HG11 ILE 22 7.332 6.876 4.851
173 HG21 ILE 22 HG21 ILE 22 8.250 2.764 5.462
174 HG22 ILE 22 HG22 ILE 22 8.413 3.905 6.797
175 HG23 ILE 22 HG23 ILE 22 9.563 3.942 5.461
176 HD11 ILE 22 HD11 ILE 22 7.858 7.478 7.144
177 HD12 ILE 22 HD12 ILE 22 8.219 5.793 7.514
178 HD13 ILE 22 HD13 ILE 22 6.576 6.268 7.087
179 H CYS 23 HN CYS 23 5.477 3.850 3.074
180 HA CYS 23 HA CYS 23 4.519 5.937 1.360
181 HB2 CYS 23 HB3 CYS 23 2.352 4.498 2.251
182 HB3 CYS 23 HB2 CYS 23 3.313 4.066 0.846
183 H ARG 24 HN ARG 24 3.498 7.805 2.049
184 HA ARG 24 HA ARG 24 2.527 7.764 4.833
185 HB2 ARG 24 HB3 ARG 24 2.929 10.198 4.920
186 HB3 ARG 24 HB2 ARG 24 4.401 9.277 4.644
187 HG2 ARG 24 HG3 ARG 24 4.440 9.885 2.340
188 HG3 ARG 24 HG2 ARG 24 2.832 10.603 2.445
189 HD2 ARG 24 HD3 ARG 24 4.532 12.333 2.437
190 HD3 ARG 24 HD2 ARG 24 3.703 12.295 3.991
191 HE ARG 24 HE ARG 24 6.118 10.737 3.939
192 HH11 ARG 24 HH11 ARG 24 4.782 13.935 4.422
193 HH12 ARG 24 HH12 ARG 24 6.120 14.490 5.376
194 HH21 ARG 24 HH21 ARG 24 7.881 11.453 5.198
195 HH22 ARG 24 HH22 ARG 24 7.887 13.077 5.818
196 H ARG 25 HN ARG 25 1.835 9.034 1.568
197 HA ARG 25 HA ARG 25 -0.909 8.602 1.659
198 HB2 ARG 25 HB3 ARG 25 -0.114 11.329 2.617
199 HB3 ARG 25 HB2 ARG 25 -1.524 11.181 1.587
200 HG2 ARG 25 HG3 ARG 25 -1.140 9.823 4.246
201 HG3 ARG 25 HG2 ARG 25 -2.109 11.263 3.950
202 HD2 ARG 25 HD3 ARG 25 -3.639 10.018 2.574
203 HD3 ARG 25 HD2 ARG 25 -2.615 8.585 2.654
204 HE ARG 25 HE ARG 25 -3.117 8.994 5.235
205 HH11 ARG 25 HH11 ARG 25 -5.300 8.943 2.486
206 HH12 ARG 25 HH12 ARG 25 -6.659 8.416 3.422
207 HH21 ARG 25 HH21 ARG 25 -4.913 8.318 6.463
208 HH22 ARG 25 HH22 ARG 25 -6.442 8.065 5.684
209 HA PRO 26 HA PRO 26 -2.370 8.480 0.598
210 HB2 PRO 26 HB3 PRO 26 -3.501 8.043 -1.986
211 HB3 PRO 26 HB2 PRO 26 -4.105 9.132 -0.730
212 HG2 PRO 26 HG3 PRO 26 -3.110 9.954 -3.167
213 HG3 PRO 26 HG2 PRO 26 -3.136 10.964 -1.705
214 HD2 PRO 26 HD3 PRO 26 -0.880 9.347 -2.853
215 HD3 PRO 26 HD2 PRO 26 -0.857 10.991 -2.172
216 H TYR 27 HN TYR 27 -1.206 6.628 1.058
217 HA TYR 27 HA TYR 27 -1.114 4.502 -0.869
218 HB2 TYR 27 HB3 TYR 27 1.513 5.607 0.158
219 HB3 TYR 27 HB2 TYR 27 1.318 4.156 -0.806
220 HD1 TYR 27 HD1 TYR 27 0.828 4.300 -3.197
221 HD2 TYR 27 HD2 TYR 27 1.401 7.805 -0.863
222 HE1 TYR 27 HE1 TYR 27 1.158 5.606 -5.248
223 HE2 TYR 27 HE2 TYR 27 1.722 9.115 -2.912
224 HH TYR 27 HH TYR 27 1.082 7.821 -6.052
225 H TYR 28 HN TYR 28 -1.198 2.638 0.173
226 HA TYR 28 HA TYR 28 -0.848 2.742 3.083
227 HB2 TYR 28 HB3 TYR 28 -2.399 0.783 3.155
228 HB3 TYR 28 HB2 TYR 28 -3.138 2.253 2.537
229 HD1 TYR 28 HD1 TYR 28 -2.440 -1.206 1.902
230 HD2 TYR 28 HD2 TYR 28 -3.402 2.482 0.005
231 HE1 TYR 28 HE1 TYR 28 -3.207 -2.430 -0.088
232 HE2 TYR 28 HE2 TYR 28 -4.170 1.266 -1.982
233 HH TYR 28 HH TYR 28 -3.831 -0.904 -3.063
234 H TRP 29 HN TRP 29 0.627 1.536 3.991
235 HA TRP 29 HA TRP 29 2.552 0.195 2.441
236 HB2 TRP 29 HB3 TRP 29 3.044 1.293 4.595
237 HB3 TRP 29 HB2 TRP 29 2.085 0.090 5.425
238 HD1 TRP 29 HD1 TRP 29 5.472 0.568 3.717
239 HE1 TRP 29 HE1 TRP 29 7.000 -1.389 4.355
240 HE3 TRP 29 HE3 TRP 29 2.060 -2.367 6.112
241 HZ2 TRP 29 HZ2 TRP 29 6.792 -3.864 5.686
242 HZ3 TRP 29 HZ3 TRP 29 2.803 -4.525 7.038
243 HH2 TRP 29 HH2 TRP 29 5.123 -5.256 6.823
244 H ILE 30 HN ILE 30 2.200 -1.615 1.436
245 HA ILE 30 HA ILE 30 0.984 -3.842 2.922
246 HB ILE 30 HB ILE 30 0.661 -4.805 0.532
247 HG12 ILE 30 HG12 ILE 30 0.713 -1.849 -0.133
248 HG13 ILE 30 HG11 ILE 30 1.996 -2.974 -0.557
249 HG21 ILE 30 HG21 ILE 30 -1.033 -2.524 1.526
250 HG22 ILE 30 HG22 ILE 30 -1.171 -4.216 2.003
251 HG23 ILE 30 HG23 ILE 30 -1.537 -3.733 0.346
252 HD11 ILE 30 HD11 ILE 30 0.466 -4.210 -1.970
253 HD12 ILE 30 HD12 ILE 30 0.521 -2.509 -2.428
254 HD13 ILE 30 HD13 ILE 30 -0.851 -3.126 -1.506
255 H GLY 31 HN GLY 31 2.906 -4.554 3.793
256 HA2 GLY 31 HA3 GLY 31 4.806 -5.853 3.841
257 HA3 GLY 31 HA2 GLY 31 4.541 -6.196 2.140
258 H THR 32 HN THR 32 7.064 -6.019 2.642
259 HA THR 32 HA THR 32 7.938 -3.227 2.491
260 HB THR 32 HB THR 32 10.095 -5.140 2.528
261 HG1 THR 32 HG2 THR 32 7.937 -5.523 4.307
262 HG21 THR 32 HG21 THR 32 10.341 -2.831 3.242
263 HG22 THR 32 HG22 THR 32 10.686 -3.909 4.596
264 HG23 THR 32 HG23 THR 32 9.134 -3.072 4.507
265 H CYS 33 HN CYS 33 9.734 -2.715 1.007
266 HA CYS 33 HA CYS 33 9.900 -4.423 -1.367
267 HB2 CYS 33 HB3 CYS 33 8.263 -2.474 -1.693
268 HB3 CYS 33 HB2 CYS 33 9.663 -1.414 -1.585
269 H ASN 34 HN ASN 34 11.780 -3.191 -2.829
270 HA ASN 34 HA ASN 34 14.055 -3.100 -2.973
271 HB2 ASN 34 HB3 ASN 34 13.713 -1.370 -0.516
272 HB3 ASN 34 HB2 ASN 34 15.185 -1.481 -1.471
273 HD21 ASN 34 HD21 ASN 34 13.497 0.800 -0.862
274 HD22 ASN 34 HD22 ASN 34 13.035 1.459 -2.388
275 H ASN 35 HN ASN 35 12.864 -5.241 -1.363
276 HA ASN 35 HA ASN 35 13.507 -7.046 -0.169
277 HB2 ASN 35 HB3 ASN 35 15.633 -6.595 -1.641
278 HB3 ASN 35 HB2 ASN 35 16.358 -6.126 -0.107
279 HD21 ASN 35 HD21 ASN 35 16.691 -7.699 1.484
280 HD22 ASN 35 HD22 ASN 35 16.618 -9.388 1.125
281 H GLY 36 HN GLY 36 12.991 -4.332 1.151
282 HA2 GLY 36 HA3 GLY 36 12.540 -4.857 3.627
283 HA3 GLY 36 HA2 GLY 36 14.287 -4.955 3.723
284 H ILE 37 HN ILE 37 14.770 -2.688 1.942
285 HA ILE 37 HA ILE 37 14.513 -0.691 4.003
286 HB ILE 37 HB ILE 37 15.653 0.698 2.005
287 HG12 ILE 37 HG12 ILE 37 16.597 -2.138 1.575
288 HG13 ILE 37 HG11 ILE 37 15.489 -1.290 0.500
289 HG21 ILE 37 HG21 ILE 37 16.548 0.432 4.242
290 HG22 ILE 37 HG22 ILE 37 17.807 0.126 3.046
291 HG23 ILE 37 HG23 ILE 37 17.033 -1.224 3.876
292 HD11 ILE 37 HD11 ILE 37 18.295 -0.445 1.152
293 HD12 ILE 37 HD12 ILE 37 17.187 0.384 0.058
294 HD13 ILE 37 HD13 ILE 37 17.769 -1.235 -0.334
295 H GLY 38 HN GLY 38 12.868 -1.433 1.110
296 HA2 GLY 38 HA3 GLY 38 11.745 1.259 0.980
297 HA3 GLY 38 HA2 GLY 38 11.726 0.083 -0.331
298 H SER 39 HN SER 39 9.403 0.668 -0.290
299 HA SER 39 HA SER 39 8.014 -1.086 1.566
300 HB2 SER 39 HB3 SER 39 6.456 0.821 2.113
301 HB3 SER 39 HB2 SER 39 8.098 0.931 2.757
302 HG SER 39 HG SER 39 8.456 2.636 1.600
303 H CYS 40 HN CYS 40 6.746 -2.309 0.438
304 HA CYS 40 HA CYS 40 5.689 -1.579 -2.122
305 HB2 CYS 40 HB3 CYS 40 6.168 -3.935 -1.583
306 HB3 CYS 40 HB2 CYS 40 5.033 -3.876 -0.241
307 H CYS 41 HN CYS 41 4.275 0.081 -2.110
308 HA CYS 41 HA CYS 41 1.998 -0.088 -0.268
309 HB2 CYS 41 HB3 CYS 41 3.440 2.510 -0.787
310 HB3 CYS 41 HB2 CYS 41 2.173 2.199 0.390
311 H ALA 42 HN ALA 42 0.280 -0.133 -1.561
312 HA ALA 42 HA ALA 42 0.578 0.693 -4.298
313 HB1 ALA 42 HB1 ALA 42 -0.497 -1.419 -3.925
314 HB2 ALA 42 HB2 ALA 42 -1.693 -0.298 -4.584
315 HB3 ALA 42 HB3 ALA 42 -1.690 -0.667 -2.859
316 H ARG 43 HN ARG 43 -0.565 2.230 -5.382
317 HA ARG 43 HA ARG 43 -1.042 4.586 -3.942
318 HB2 ARG 43 HB3 ARG 43 -0.332 4.645 -6.267
319 HB3 ARG 43 HB2 ARG 43 -1.835 3.879 -6.767
320 HG2 ARG 43 HG3 ARG 43 -3.111 5.782 -6.168
321 HG3 ARG 43 HG2 ARG 43 -1.742 6.523 -5.345
322 HD2 ARG 43 HD3 ARG 43 -1.710 5.894 -8.279
323 HD3 ARG 43 HD2 ARG 43 -2.331 7.416 -7.646
324 HE ARG 43 HE ARG 43 0.097 7.309 -6.519
325 HH11 ARG 43 HH11 ARG 43 -0.919 6.776 -9.833
326 HH12 ARG 43 HH12 ARG 43 0.546 7.412 -10.510
327 HH21 ARG 43 HH21 ARG 43 2.009 8.145 -7.414
328 HH22 ARG 43 HH22 ARG 43 2.216 8.177 -9.139
329 H GLY 44 HN GLY 44 -2.609 4.982 -2.669
330 HA2 GLY 44 HA3 GLY 44 -5.125 5.521 -2.940
331 HA3 GLY 44 HA2 GLY 44 -5.245 3.777 -3.119
332 H TRP 45 HN TRP 45 -6.553 3.631 -1.234
333 HA TRP 45 HA TRP 45 -4.899 3.612 1.149
334 HB2 TRP 45 HB3 TRP 45 -6.149 5.840 0.989
335 HB3 TRP 45 HB2 TRP 45 -7.607 4.901 1.324
336 HD1 TRP 45 HD1 TRP 45 -8.141 4.603 3.827
337 HE1 TRP 45 HE1 TRP 45 -6.793 4.736 6.016
338 HE3 TRP 45 HE3 TRP 45 -3.528 5.462 1.843
339 HZ2 TRP 45 HZ2 TRP 45 -4.103 5.160 6.789
340 HZ3 TRP 45 HZ3 TRP 45 -1.610 5.721 3.374
341 HH2 TRP 45 HH2 TRP 45 -1.895 5.574 5.795
342 H ARG 46 HN ARG 46 -5.178 1.881 2.297
343 HA ARG 46 HA ARG 46 -7.774 0.519 2.225
344 HB2 ARG 46 HB3 ARG 46 -6.431 -0.932 1.064
345 HB3 ARG 46 HB2 ARG 46 -5.006 -0.606 2.032
346 HG2 ARG 46 HG3 ARG 46 -5.566 -2.716 2.725
347 HG3 ARG 46 HG2 ARG 46 -6.420 -1.732 3.913
348 HD2 ARG 46 HD3 ARG 46 -7.827 -3.530 3.086
349 HD3 ARG 46 HD2 ARG 46 -8.474 -1.950 2.644
350 HE ARG 46 HE ARG 46 -7.413 -2.371 0.401
351 HH11 ARG 46 HH11 ARG 46 -8.353 -5.051 2.460
352 HH12 ARG 46 HH12 ARG 46 -8.640 -6.125 1.126
353 HH21 ARG 46 HH21 ARG 46 -7.827 -3.781 -1.339
354 HH22 ARG 46 HH22 ARG 46 -8.355 -5.403 -1.022
355 H SER 47 HN SER 47 -8.700 0.562 4.027
356 HA SER 47 HA SER 47 -9.246 0.873 6.192
357 HB2 SER 47 HB3 SER 47 -6.694 -0.671 6.660
358 HB3 SER 47 HB2 SER 47 -7.981 -0.431 7.841
359 HG SER 47 HG SER 47 -8.209 -2.436 6.799
Start of MODEL 2
1 H PCA 1 HT2 PCA 1 -12.979 4.920 -2.125
2 HA PCA 1 HA PCA 1 -12.310 2.913 -1.968
3 HB2 PCA 1 HB2 PCA 1 -13.243 1.871 -0.192
4 HB3 PCA 1 HB3 PCA 1 -14.644 1.429 -1.176
5 HG2 PCA 1 HG2 PCA 1 -14.419 3.564 0.782
6 HG3 PCA 1 HG3 PCA 1 -15.861 3.045 -0.135
7 HT1 PCA 1 HT1 PCA 1 -14.268 4.469 -3.055
8 HA PRO 2 HA PRO 2 -13.927 1.412 -5.942
9 HB2 PRO 2 HB3 PRO 2 -11.246 0.402 -6.392
10 HB3 PRO 2 HB2 PRO 2 -12.093 1.688 -7.260
11 HG2 PRO 2 HG3 PRO 2 -9.930 2.134 -5.659
12 HG3 PRO 2 HG2 PRO 2 -11.198 3.339 -5.944
13 HD2 PRO 2 HD3 PRO 2 -10.823 1.494 -3.606
14 HD3 PRO 2 HD2 PRO 2 -11.279 3.216 -3.622
15 H PHE 3 HN PHE 3 -11.884 -0.089 -3.560
16 HA PHE 3 HA PHE 3 -13.288 -2.628 -3.977
17 HB2 PHE 3 HB3 PHE 3 -11.370 -3.841 -3.417
18 HB3 PHE 3 HB2 PHE 3 -10.677 -2.491 -4.309
19 HD1 PHE 3 HD1 PHE 3 -10.535 -4.360 -1.327
20 HD2 PHE 3 HD2 PHE 3 -9.976 -0.430 -2.874
21 HE1 PHE 3 HE1 PHE 3 -9.086 -3.813 0.586
22 HE2 PHE 3 HE2 PHE 3 -8.528 0.115 -0.966
23 HZ PHE 3 HZ PHE 3 -8.215 -1.564 0.850
24 H ILE 4 HN ILE 4 -13.548 -3.849 -1.864
25 HA ILE 4 HA ILE 4 -14.482 -2.005 0.148
26 HB ILE 4 HB ILE 4 -15.888 -3.908 -0.389
27 HG12 ILE 4 HG12 ILE 4 -16.147 -4.887 1.930
28 HG13 ILE 4 HG11 ILE 4 -14.718 -3.967 2.389
29 HG21 ILE 4 HG21 ILE 4 -13.609 -5.628 0.564
30 HG22 ILE 4 HG22 ILE 4 -14.253 -5.530 -1.075
31 HG23 ILE 4 HG23 ILE 4 -15.238 -6.208 0.220
32 HD11 ILE 4 HD11 ILE 4 -17.297 -2.816 1.351
33 HD12 ILE 4 HD12 ILE 4 -15.871 -1.897 1.822
34 HD13 ILE 4 HD13 ILE 4 -16.760 -2.820 3.029
35 HA PRO 5 HA PRO 5 -10.478 -1.859 2.180
36 HB2 PRO 5 HB3 PRO 5 -11.633 -0.863 4.551
37 HB3 PRO 5 HB2 PRO 5 -10.906 0.080 3.249
38 HG2 PRO 5 HG3 PRO 5 -13.768 -0.545 3.768
39 HG3 PRO 5 HG2 PRO 5 -13.041 0.918 3.080
40 HD2 PRO 5 HD3 PRO 5 -14.308 -0.831 1.530
41 HD3 PRO 5 HD2 PRO 5 -12.827 -0.034 0.968
42 H ARG 6 HN ARG 6 -9.747 -3.796 2.706
43 HA ARG 6 HA ARG 6 -11.001 -5.290 4.909
44 HB2 ARG 6 HB3 ARG 6 -8.875 -6.250 2.981
45 HB3 ARG 6 HB2 ARG 6 -9.825 -7.233 4.081
46 HG2 ARG 6 HG3 ARG 6 -11.836 -6.722 2.804
47 HG3 ARG 6 HG2 ARG 6 -10.874 -5.745 1.692
48 HD2 ARG 6 HD3 ARG 6 -10.877 -8.715 2.087
49 HD3 ARG 6 HD2 ARG 6 -11.055 -7.789 0.599
50 HE ARG 6 HE ARG 6 -8.505 -8.022 2.070
51 HH11 ARG 6 HH11 ARG 6 -10.321 -7.916 -0.922
52 HH12 ARG 6 HH12 ARG 6 -8.915 -8.089 -1.925
53 HH21 ARG 6 HH21 ARG 6 -6.645 -8.257 0.750
54 HH22 ARG 6 HH22 ARG 6 -6.837 -8.280 -0.984
55 HA PRO 7 HA PRO 7 -7.476 -4.702 7.677
56 HB2 PRO 7 HB3 PRO 7 -6.524 -7.370 7.734
57 HB3 PRO 7 HB2 PRO 7 -7.588 -6.601 8.913
58 HG2 PRO 7 HG3 PRO 7 -8.256 -8.399 6.652
59 HG3 PRO 7 HG2 PRO 7 -9.088 -8.177 8.201
60 HD2 PRO 7 HD3 PRO 7 -10.087 -7.205 5.907
61 HD3 PRO 7 HD2 PRO 7 -10.274 -6.338 7.439
62 H ILE 8 HN ILE 8 -5.334 -4.242 7.386
63 HA ILE 8 HA ILE 8 -4.504 -3.999 4.727
64 HB ILE 8 HB ILE 8 -3.066 -3.593 7.334
65 HG12 ILE 8 HG12 ILE 8 -3.054 -1.208 6.475
66 HG13 ILE 8 HG11 ILE 8 -4.103 -1.749 5.175
67 HG21 ILE 8 HG21 ILE 8 -1.375 -4.329 5.749
68 HG22 ILE 8 HG22 ILE 8 -1.190 -2.610 6.092
69 HG23 ILE 8 HG23 ILE 8 -1.927 -3.132 4.578
70 HD11 ILE 8 HD11 ILE 8 -4.729 -1.847 8.114
71 HD12 ILE 8 HD12 ILE 8 -5.788 -2.397 6.817
72 HD13 ILE 8 HD13 ILE 8 -5.365 -0.690 6.947
73 H ASP 9 HN ASP 9 -3.721 -5.430 3.409
74 HA ASP 9 HA ASP 9 -2.499 -7.884 4.388
75 HB2 ASP 9 HB3 ASP 9 -3.244 -7.012 1.583
76 HB3 ASP 9 HB2 ASP 9 -2.539 -8.581 1.984
77 H THR 10 HN THR 10 -0.513 -8.629 3.281
78 HA THR 10 HA THR 10 1.388 -6.455 3.071
79 HB THR 10 HB THR 10 3.033 -8.427 2.842
80 HG1 THR 10 HG2 THR 10 1.310 -10.036 4.243
81 HG21 THR 10 HG21 THR 10 3.051 -8.693 5.279
82 HG22 THR 10 HG22 THR 10 1.425 -8.012 5.362
83 HG23 THR 10 HG23 THR 10 2.771 -7.011 4.822
84 H CYS 11 HN CYS 11 3.263 -7.338 1.325
85 HA CYS 11 HA CYS 11 2.189 -6.306 -1.067
86 HB2 CYS 11 HB3 CYS 11 4.537 -6.045 -0.240
87 HB3 CYS 11 HB2 CYS 11 4.831 -7.708 -0.729
88 H ARG 12 HN ARG 12 1.654 -9.280 0.073
89 HA ARG 12 HA ARG 12 1.538 -10.872 -2.208
90 HB2 ARG 12 HB3 ARG 12 -0.241 -12.037 -1.176
91 HB3 ARG 12 HB2 ARG 12 0.859 -11.545 0.091
92 HG2 ARG 12 HG3 ARG 12 -0.614 -9.870 0.849
93 HG3 ARG 12 HG2 ARG 12 -1.654 -10.059 -0.575
94 HD2 ARG 12 HD3 ARG 12 -1.976 -12.425 0.087
95 HD3 ARG 12 HD2 ARG 12 -1.134 -12.077 1.590
96 HE ARG 12 HE ARG 12 -2.939 -10.542 2.152
97 HH11 ARG 12 HH11 ARG 12 -3.558 -12.811 -0.449
98 HH12 ARG 12 HH12 ARG 12 -5.272 -12.817 -0.200
99 HH21 ARG 12 HH21 ARG 12 -5.188 -10.547 2.484
100 HH22 ARG 12 HH22 ARG 12 -6.205 -11.526 1.462
101 H LEU 13 HN LEU 13 -0.209 -8.012 -1.278
102 HA LEU 13 HA LEU 13 -1.997 -8.023 -3.517
103 HB2 LEU 13 HB3 LEU 13 -1.299 -6.173 -1.340
104 HB3 LEU 13 HB2 LEU 13 -1.709 -5.387 -2.851
105 HG LEU 13 HG LEU 13 -3.881 -6.478 -2.868
106 HD11 LEU 13 HD11 LEU 13 -2.979 -7.744 -0.287
107 HD12 LEU 13 HD12 LEU 13 -3.324 -8.573 -1.804
108 HD13 LEU 13 HD13 LEU 13 -4.626 -7.783 -0.916
109 HD21 LEU 13 HD21 LEU 13 -3.646 -4.339 -1.733
110 HD22 LEU 13 HD22 LEU 13 -3.245 -5.171 -0.230
111 HD23 LEU 13 HD23 LEU 13 -4.852 -5.349 -0.936
112 H ARG 14 HN ARG 14 -1.839 -6.510 -5.301
113 HA ARG 14 HA ARG 14 0.673 -7.069 -6.546
114 HB2 ARG 14 HB3 ARG 14 -0.691 -5.818 -8.470
115 HB3 ARG 14 HB2 ARG 14 -1.006 -7.473 -8.012
116 HG2 ARG 14 HG3 ARG 14 -3.066 -6.155 -8.310
117 HG3 ARG 14 HG2 ARG 14 -2.907 -6.817 -6.684
118 HD2 ARG 14 HD3 ARG 14 -2.122 -4.674 -5.859
119 HD3 ARG 14 HD2 ARG 14 -2.182 -4.015 -7.494
120 HE ARG 14 HE ARG 14 -4.737 -4.983 -6.728
121 HH11 ARG 14 HH11 ARG 14 -2.498 -2.348 -6.197
122 HH12 ARG 14 HH12 ARG 14 -3.732 -1.196 -5.804
123 HH21 ARG 14 HH21 ARG 14 -6.383 -3.451 -6.219
124 HH22 ARG 14 HH22 ARG 14 -5.938 -1.824 -5.815
125 H ASN 15 HN ASN 15 2.223 -5.612 -5.603
126 HA ASN 15 HA ASN 15 3.573 -3.745 -5.841
127 HB2 ASN 15 HB3 ASN 15 3.856 -5.276 -7.812
128 HB3 ASN 15 HB2 ASN 15 2.799 -4.186 -8.700
129 HD21 ASN 15 HD21 ASN 15 4.423 -3.699 -10.179
130 HD22 ASN 15 HD22 ASN 15 5.754 -2.674 -9.777
131 H GLY 16 HN GLY 16 1.710 -2.285 -4.862
132 HA2 GLY 16 HA3 GLY 16 0.208 -0.829 -6.837
133 HA3 GLY 16 HA2 GLY 16 0.189 -0.555 -5.107
134 H ILE 17 HN ILE 17 2.746 0.081 -4.523
135 HA ILE 17 HA ILE 17 4.169 1.532 -6.547
136 HB ILE 17 HB ILE 17 3.136 3.066 -4.138
137 HG12 ILE 17 HG12 ILE 17 1.707 3.065 -6.225
138 HG13 ILE 17 HG11 ILE 17 2.235 4.649 -5.673
139 HG21 ILE 17 HG21 ILE 17 5.522 3.432 -4.399
140 HG22 ILE 17 HG22 ILE 17 4.624 4.881 -4.848
141 HG23 ILE 17 HG23 ILE 17 5.293 3.836 -6.100
142 HD11 ILE 17 HD11 ILE 17 3.989 4.654 -7.362
143 HD12 ILE 17 HD12 ILE 17 2.387 4.472 -8.078
144 HD13 ILE 17 HD13 ILE 17 3.448 3.071 -7.926
145 H CYS 18 HN CYS 18 6.303 1.040 -6.138
146 HA CYS 18 HA CYS 18 7.001 0.233 -3.417
147 HB2 CYS 18 HB3 CYS 18 8.314 -0.129 -6.075
148 HB3 CYS 18 HB2 CYS 18 9.299 -0.187 -4.618
149 H PHE 19 HN PHE 19 7.518 1.809 -2.087
150 HA PHE 19 HA PHE 19 9.037 4.107 -3.094
151 HB2 PHE 19 HB3 PHE 19 7.359 3.648 -0.639
152 HB3 PHE 19 HB2 PHE 19 8.480 4.993 -0.728
153 HD1 PHE 19 HD1 PHE 19 5.186 4.033 -1.193
154 HD2 PHE 19 HD2 PHE 19 8.228 6.418 -2.968
155 HE1 PHE 19 HE1 PHE 19 3.465 5.355 -2.354
156 HE2 PHE 19 HE2 PHE 19 6.513 7.751 -4.122
157 HZ PHE 19 HZ PHE 19 4.123 7.256 -3.764
158 HA PRO 20 HA PRO 20 12.515 2.544 -0.737
159 HB2 PRO 20 HB3 PRO 20 14.199 4.603 -1.253
160 HB3 PRO 20 HB2 PRO 20 13.907 3.296 -2.409
161 HG2 PRO 20 HG3 PRO 20 12.814 6.073 -2.370
162 HG3 PRO 20 HG2 PRO 20 13.307 5.077 -3.751
163 HD2 PRO 20 HD3 PRO 20 10.697 5.456 -2.946
164 HD3 PRO 20 HD2 PRO 20 11.265 4.068 -3.894
165 H GLY 21 HN GLY 21 11.749 2.719 1.298
166 HA2 GLY 21 HA3 GLY 21 12.058 4.170 3.331
167 HA3 GLY 21 HA2 GLY 21 11.263 5.416 2.379
168 H ILE 22 HN ILE 22 9.191 5.680 2.912
169 HA ILE 22 HA ILE 22 7.500 3.345 3.346
170 HB ILE 22 HB ILE 22 6.482 4.437 5.390
171 HG12 ILE 22 HG12 ILE 22 9.107 5.940 5.396
172 HG13 ILE 22 HG11 ILE 22 7.523 6.648 5.102
173 HG21 ILE 22 HG21 ILE 22 9.285 3.357 5.574
174 HG22 ILE 22 HG22 ILE 22 7.786 2.427 5.582
175 HG23 ILE 22 HG23 ILE 22 8.165 3.501 6.929
176 HD11 ILE 22 HD11 ILE 22 8.273 7.077 7.365
177 HD12 ILE 22 HD12 ILE 22 8.426 5.345 7.657
178 HD13 ILE 22 HD13 ILE 22 6.838 6.052 7.363
179 H CYS 23 HN CYS 23 5.373 3.676 2.916
180 HA CYS 23 HA CYS 23 4.533 5.932 1.410
181 HB2 CYS 23 HB3 CYS 23 2.329 4.434 2.528
182 HB3 CYS 23 HB2 CYS 23 2.856 4.532 0.857
183 H ARG 24 HN ARG 24 3.752 7.832 2.153
184 HA ARG 24 HA ARG 24 2.687 7.846 4.898
185 HB2 ARG 24 HB3 ARG 24 3.265 10.271 4.950
186 HB3 ARG 24 HB2 ARG 24 4.663 9.216 4.794
187 HG2 ARG 24 HG3 ARG 24 4.812 9.699 2.436
188 HG3 ARG 24 HG2 ARG 24 3.338 10.664 2.511
189 HD2 ARG 24 HD3 ARG 24 4.440 12.241 4.010
190 HD3 ARG 24 HD2 ARG 24 5.910 11.267 3.969
191 HE ARG 24 HE ARG 24 5.564 11.762 1.380
192 HH11 ARG 24 HH11 ARG 24 5.382 13.913 4.133
193 HH12 ARG 24 HH12 ARG 24 5.879 15.311 3.235
194 HH21 ARG 24 HH21 ARG 24 6.223 13.597 0.192
195 HH22 ARG 24 HH22 ARG 24 6.357 15.133 0.991
196 H ARG 25 HN ARG 25 2.212 9.099 1.604
197 HA ARG 25 HA ARG 25 -0.545 8.814 1.581
198 HB2 ARG 25 HB3 ARG 25 0.358 11.458 2.615
199 HB3 ARG 25 HB2 ARG 25 -0.932 11.472 1.427
200 HG2 ARG 25 HG3 ARG 25 -0.993 9.994 4.050
201 HG3 ARG 25 HG2 ARG 25 -1.771 11.541 3.723
202 HD2 ARG 25 HD3 ARG 25 -3.154 10.477 2.007
203 HD3 ARG 25 HD2 ARG 25 -2.376 8.932 2.343
204 HE ARG 25 HE ARG 25 -3.347 9.731 4.758
205 HH11 ARG 25 HH11 ARG 25 -4.784 9.331 1.599
206 HH12 ARG 25 HH12 ARG 25 -6.310 8.787 2.213
207 HH21 ARG 25 HH21 ARG 25 -5.364 9.027 5.582
208 HH22 ARG 25 HH22 ARG 25 -6.641 8.613 4.485
209 HA PRO 26 HA PRO 26 -2.002 8.821 0.463
210 HB2 PRO 26 HB3 PRO 26 -3.155 8.580 -2.131
211 HB3 PRO 26 HB2 PRO 26 -3.630 9.710 -0.861
212 HG2 PRO 26 HG3 PRO 26 -2.527 10.446 -3.279
213 HG3 PRO 26 HG2 PRO 26 -2.446 11.430 -1.801
214 HD2 PRO 26 HD3 PRO 26 -0.388 9.566 -2.950
215 HD3 PRO 26 HD2 PRO 26 -0.172 11.192 -2.256
216 H TYR 27 HN TYR 27 -1.034 6.829 0.867
217 HA TYR 27 HA TYR 27 -1.267 4.756 -1.105
218 HB2 TYR 27 HB3 TYR 27 1.504 5.419 -0.076
219 HB3 TYR 27 HB2 TYR 27 1.085 4.101 -1.153
220 HD1 TYR 27 HD1 TYR 27 0.575 4.538 -3.503
221 HD2 TYR 27 HD2 TYR 27 1.771 7.672 -0.894
222 HE1 TYR 27 HE1 TYR 27 1.095 5.941 -5.445
223 HE2 TYR 27 HE2 TYR 27 2.303 9.085 -2.842
224 HH TYR 27 HH TYR 27 2.930 8.681 -5.308
225 H TYR 28 HN TYR 28 -1.444 2.796 -0.078
226 HA TYR 28 HA TYR 28 -0.990 2.882 2.817
227 HB2 TYR 28 HB3 TYR 28 -2.577 0.960 2.968
228 HB3 TYR 28 HB2 TYR 28 -3.305 2.457 2.399
229 HD1 TYR 28 HD1 TYR 28 -2.649 -1.026 1.683
230 HD2 TYR 28 HD2 TYR 28 -3.805 2.688 -0.068
231 HE1 TYR 28 HE1 TYR 28 -3.587 -2.219 -0.256
232 HE2 TYR 28 HE2 TYR 28 -4.737 1.496 -2.001
233 HH TYR 28 HH TYR 28 -4.567 -0.595 -3.132
234 H TRP 29 HN TRP 29 0.373 1.604 3.739
235 HA TRP 29 HA TRP 29 2.337 0.224 2.264
236 HB2 TRP 29 HB3 TRP 29 2.698 1.317 4.468
237 HB3 TRP 29 HB2 TRP 29 1.693 0.096 5.222
238 HD1 TRP 29 HD1 TRP 29 5.183 0.634 3.797
239 HE1 TRP 29 HE1 TRP 29 6.680 -1.326 4.506
240 HE3 TRP 29 HE3 TRP 29 1.627 -2.384 5.843
241 HZ2 TRP 29 HZ2 TRP 29 6.399 -3.830 5.772
242 HZ3 TRP 29 HZ3 TRP 29 2.315 -4.554 6.790
243 HH2 TRP 29 HH2 TRP 29 4.655 -5.261 6.753
244 H ILE 30 HN ILE 30 1.892 -1.643 1.200
245 HA ILE 30 HA ILE 30 0.739 -3.782 2.851
246 HB ILE 30 HB ILE 30 -0.005 -4.919 0.778
247 HG12 ILE 30 HG12 ILE 30 1.247 -2.547 -0.537
248 HG13 ILE 30 HG11 ILE 30 1.119 -4.208 -1.110
249 HG21 ILE 30 HG21 ILE 30 -1.486 -3.485 2.123
250 HG22 ILE 30 HG22 ILE 30 -1.950 -3.560 0.424
251 HG23 ILE 30 HG23 ILE 30 -1.113 -2.136 1.044
252 HD11 ILE 30 HD11 ILE 30 -1.238 -3.824 -1.642
253 HD12 ILE 30 HD12 ILE 30 -0.148 -2.762 -2.529
254 HD13 ILE 30 HD13 ILE 30 -1.057 -2.140 -1.151
255 H GLY 31 HN GLY 31 2.609 -4.513 3.690
256 HA2 GLY 31 HA3 GLY 31 4.502 -5.811 3.777
257 HA3 GLY 31 HA2 GLY 31 4.259 -6.179 2.080
258 H THR 32 HN THR 32 6.757 -6.024 2.606
259 HA THR 32 HA THR 32 7.712 -3.267 2.369
260 HB THR 32 HB THR 32 9.858 -5.153 2.428
261 HG1 THR 32 HG2 THR 32 9.367 -6.216 4.386
262 HG21 THR 32 HG21 THR 32 8.816 -3.242 4.529
263 HG22 THR 32 HG22 THR 32 9.999 -2.863 3.272
264 HG23 THR 32 HG23 THR 32 10.402 -4.014 4.545
265 H CYS 33 HN CYS 33 9.468 -2.826 0.849
266 HA CYS 33 HA CYS 33 9.602 -4.607 -1.475
267 HB2 CYS 33 HB3 CYS 33 7.999 -2.672 -1.897
268 HB3 CYS 33 HB2 CYS 33 9.386 -1.601 -1.753
269 H ASN 34 HN ASN 34 11.472 -3.306 -2.986
270 HA ASN 34 HA ASN 34 13.741 -3.194 -3.165
271 HB2 ASN 34 HB3 ASN 34 13.392 -1.788 -0.507
272 HB3 ASN 34 HB2 ASN 34 14.943 -1.924 -1.322
273 HD21 ASN 34 HD21 ASN 34 13.288 0.414 -0.614
274 HD22 ASN 34 HD22 ASN 34 13.082 1.274 -2.101
275 H ASN 35 HN ASN 35 15.783 -3.460 -1.242
276 HA ASN 35 HA ASN 35 15.545 -6.251 -0.530
277 HB2 ASN 35 HB3 ASN 35 17.779 -4.254 -0.104
278 HB3 ASN 35 HB2 ASN 35 17.879 -5.956 0.331
279 HD21 ASN 35 HD21 ASN 35 19.461 -4.385 -1.559
280 HD22 ASN 35 HD22 ASN 35 19.308 -5.182 -3.086
281 H GLY 36 HN GLY 36 13.628 -4.770 0.777
282 HA2 GLY 36 HA3 GLY 36 12.751 -4.928 2.941
283 HA3 GLY 36 HA2 GLY 36 14.370 -5.236 3.552
284 H ILE 37 HN ILE 37 14.280 -2.585 1.450
285 HA ILE 37 HA ILE 37 14.158 -0.749 3.738
286 HB ILE 37 HB ILE 37 15.663 0.715 2.280
287 HG12 ILE 37 HG12 ILE 37 16.337 -1.962 1.066
288 HG13 ILE 37 HG11 ILE 37 15.403 -0.706 0.255
289 HG21 ILE 37 HG21 ILE 37 17.676 -0.354 3.193
290 HG22 ILE 37 HG22 ILE 37 16.737 -1.805 3.539
291 HG23 ILE 37 HG23 ILE 37 16.369 -0.297 4.376
292 HD11 ILE 37 HD11 ILE 37 17.307 0.801 0.409
293 HD12 ILE 37 HD12 ILE 37 17.711 -0.678 -0.464
294 HD13 ILE 37 HD13 ILE 37 18.242 -0.463 1.204
295 H GLY 38 HN GLY 38 12.248 -1.621 1.485
296 HA2 GLY 38 HA3 GLY 38 11.371 1.093 0.880
297 HA3 GLY 38 HA2 GLY 38 11.413 -0.134 -0.384
298 H SER 39 HN SER 39 9.067 0.996 0.092
299 HA SER 39 HA SER 39 7.676 -1.008 1.712
300 HB2 SER 39 HB3 SER 39 6.004 0.793 2.139
301 HB3 SER 39 HB2 SER 39 7.616 1.126 2.784
302 HG SER 39 HG SER 39 6.321 2.258 0.555
303 H CYS 40 HN CYS 40 6.312 -2.238 0.670
304 HA CYS 40 HA CYS 40 5.615 -1.667 -2.080
305 HB2 CYS 40 HB3 CYS 40 6.176 -3.987 -1.258
306 HB3 CYS 40 HB2 CYS 40 4.707 -3.946 -0.295
307 H CYS 41 HN CYS 41 4.312 0.152 -1.937
308 HA CYS 41 HA CYS 41 1.968 -0.011 -0.181
309 HB2 CYS 41 HB3 CYS 41 2.731 2.397 -1.802
310 HB3 CYS 41 HB2 CYS 41 1.898 2.323 -0.251
311 H ALA 42 HN ALA 42 -0.011 1.185 -1.334
312 HA ALA 42 HA ALA 42 0.152 0.934 -4.235
313 HB1 ALA 42 HB1 ALA 42 -2.090 -0.035 -4.388
314 HB2 ALA 42 HB2 ALA 42 -2.168 -0.124 -2.628
315 HB3 ALA 42 HB3 ALA 42 -0.988 -1.095 -3.513
316 H ARG 43 HN ARG 43 -0.819 2.478 -5.383
317 HA ARG 43 HA ARG 43 -1.289 4.931 -4.102
318 HB2 ARG 43 HB3 ARG 43 -0.624 4.718 -6.477
319 HB3 ARG 43 HB2 ARG 43 -2.236 4.117 -6.850
320 HG2 ARG 43 HG3 ARG 43 -3.217 6.213 -6.138
321 HG3 ARG 43 HG2 ARG 43 -1.628 6.820 -5.671
322 HD2 ARG 43 HD3 ARG 43 -2.268 7.730 -7.808
323 HD3 ARG 43 HD2 ARG 43 -0.896 6.642 -8.008
324 HE ARG 43 HE ARG 43 -2.957 5.013 -8.519
325 HH11 ARG 43 HH11 ARG 43 -2.206 8.220 -9.704
326 HH12 ARG 43 HH12 ARG 43 -2.986 7.975 -11.231
327 HH21 ARG 43 HH21 ARG 43 -3.979 4.687 -10.525
328 HH22 ARG 43 HH22 ARG 43 -4.006 5.965 -11.695
329 H GLY 44 HN GLY 44 -2.833 5.366 -2.787
330 HA2 GLY 44 HA3 GLY 44 -5.360 5.862 -2.972
331 HA3 GLY 44 HA2 GLY 44 -5.465 4.117 -3.134
332 H TRP 45 HN TRP 45 -6.747 4.067 -1.202
333 HA TRP 45 HA TRP 45 -5.010 3.924 1.120
334 HB2 TRP 45 HB3 TRP 45 -6.220 6.205 1.028
335 HB3 TRP 45 HB2 TRP 45 -7.667 5.285 1.449
336 HD1 TRP 45 HD1 TRP 45 -8.030 4.889 3.979
337 HE1 TRP 45 HE1 TRP 45 -6.543 5.037 6.080
338 HE3 TRP 45 HE3 TRP 45 -3.574 5.900 1.719
339 HZ2 TRP 45 HZ2 TRP 45 -3.827 5.516 6.680
340 HZ3 TRP 45 HZ3 TRP 45 -1.573 6.197 3.128
341 HH2 TRP 45 HH2 TRP 45 -1.701 6.011 5.559
342 H ARG 46 HN ARG 46 -5.613 2.458 2.638
343 HA ARG 46 HA ARG 46 -8.127 1.019 2.200
344 HB2 ARG 46 HB3 ARG 46 -6.636 -0.513 1.337
345 HB3 ARG 46 HB2 ARG 46 -5.363 -0.104 2.477
346 HG2 ARG 46 HG3 ARG 46 -6.745 -1.160 4.264
347 HG3 ARG 46 HG2 ARG 46 -7.870 -1.685 3.013
348 HD2 ARG 46 HD3 ARG 46 -4.941 -2.380 3.030
349 HD3 ARG 46 HD2 ARG 46 -6.192 -3.400 3.737
350 HE ARG 46 HE ARG 46 -6.307 -2.664 0.886
351 HH11 ARG 46 HH11 ARG 46 -6.088 -5.076 3.407
352 HH12 ARG 46 HH12 ARG 46 -6.289 -6.418 2.320
353 HH21 ARG 46 HH21 ARG 46 -6.679 -4.422 -0.533
354 HH22 ARG 46 HH22 ARG 46 -6.668 -6.041 0.091
355 H SER 47 HN SER 47 -9.305 0.850 3.892
356 HA SER 47 HA SER 47 -10.114 1.090 5.995
357 HB2 SER 47 HB3 SER 47 -7.459 -0.178 6.695
358 HB3 SER 47 HB2 SER 47 -8.878 -0.119 7.741
359 HG SER 47 HG SER 47 -8.636 -2.105 6.526
Start of MODEL 3
1 H PCA 1 HT2 PCA 1 -15.823 6.588 -3.483
2 HA PCA 1 HA PCA 1 -14.373 5.057 -3.241
3 HB2 PCA 1 HB2 PCA 1 -15.289 3.272 -2.208
4 HB3 PCA 1 HB3 PCA 1 -15.725 2.601 -3.785
5 HG2 PCA 1 HG2 PCA 1 -17.478 3.801 -1.852
6 HG3 PCA 1 HG3 PCA 1 -17.899 3.216 -3.485
7 HT1 PCA 1 HT1 PCA 1 -16.311 5.977 -4.936
8 HA PRO 2 HA PRO 2 -13.346 4.457 -7.603
9 HB2 PRO 2 HB3 PRO 2 -10.629 4.008 -6.648
10 HB3 PRO 2 HB2 PRO 2 -11.243 5.331 -7.644
11 HG2 PRO 2 HG3 PRO 2 -10.411 5.679 -5.087
12 HG3 PRO 2 HG2 PRO 2 -11.680 6.667 -5.831
13 HD2 PRO 2 HD3 PRO 2 -11.942 4.329 -3.968
14 HD3 PRO 2 HD2 PRO 2 -12.835 5.870 -3.980
15 H PHE 3 HN PHE 3 -11.818 2.634 -5.003
16 HA PHE 3 HA PHE 3 -12.746 0.164 -6.269
17 HB2 PHE 3 HB3 PHE 3 -10.778 -0.981 -5.714
18 HB3 PHE 3 HB2 PHE 3 -10.153 0.596 -6.182
19 HD1 PHE 3 HD1 PHE 3 -10.259 -1.880 -3.634
20 HD2 PHE 3 HD2 PHE 3 -9.741 2.292 -4.309
21 HE1 PHE 3 HE1 PHE 3 -9.128 -1.669 -1.462
22 HE2 PHE 3 HE2 PHE 3 -8.606 2.505 -2.138
23 HZ PHE 3 HZ PHE 3 -8.399 0.497 -0.668
24 H ILE 4 HN ILE 4 -13.076 -1.568 -4.516
25 HA ILE 4 HA ILE 4 -14.483 -0.271 -2.327
26 HB ILE 4 HB ILE 4 -14.428 -3.177 -3.155
27 HG12 ILE 4 HG12 ILE 4 -15.538 -1.746 -4.799
28 HG13 ILE 4 HG11 ILE 4 -16.716 -2.753 -3.965
29 HG21 ILE 4 HG21 ILE 4 -16.154 -1.800 -1.100
30 HG22 ILE 4 HG22 ILE 4 -14.866 -2.958 -0.771
31 HG23 ILE 4 HG23 ILE 4 -16.318 -3.474 -1.629
32 HD11 ILE 4 HD11 ILE 4 -17.560 -0.510 -4.269
33 HD12 ILE 4 HD12 ILE 4 -16.164 0.155 -3.426
34 HD13 ILE 4 HD13 ILE 4 -17.325 -0.845 -2.554
35 HA PRO 5 HA PRO 5 -10.975 -0.903 0.394
36 HB2 PRO 5 HB3 PRO 5 -12.435 -0.318 2.681
37 HB3 PRO 5 HB2 PRO 5 -11.588 0.868 1.684
38 HG2 PRO 5 HG3 PRO 5 -14.476 0.107 1.687
39 HG3 PRO 5 HG2 PRO 5 -13.737 1.710 1.510
40 HD2 PRO 5 HD3 PRO 5 -14.692 0.398 -0.608
41 HD3 PRO 5 HD2 PRO 5 -13.198 1.353 -0.719
42 H ARG 6 HN ARG 6 -10.523 -2.983 0.547
43 HA ARG 6 HA ARG 6 -12.401 -4.796 1.877
44 HB2 ARG 6 HB3 ARG 6 -10.152 -5.244 -0.086
45 HB3 ARG 6 HB2 ARG 6 -10.932 -6.566 0.771
46 HG2 ARG 6 HG3 ARG 6 -12.973 -6.218 -0.305
47 HG3 ARG 6 HG2 ARG 6 -12.522 -4.598 -0.831
48 HD2 ARG 6 HD3 ARG 6 -10.903 -5.528 -2.381
49 HD3 ARG 6 HD2 ARG 6 -11.272 -7.160 -1.816
50 HE ARG 6 HE ARG 6 -13.560 -6.775 -2.684
51 HH11 ARG 6 HH11 ARG 6 -10.897 -4.897 -3.984
52 HH12 ARG 6 HH12 ARG 6 -11.717 -4.544 -5.472
53 HH21 ARG 6 HH21 ARG 6 -14.629 -6.312 -4.628
54 HH22 ARG 6 HH22 ARG 6 -13.839 -5.355 -5.844
55 HA PRO 7 HA PRO 7 -9.872 -5.742 5.453
56 HB2 PRO 7 HB3 PRO 7 -8.832 -8.265 4.591
57 HB3 PRO 7 HB2 PRO 7 -10.138 -7.967 5.737
58 HG2 PRO 7 HG3 PRO 7 -10.268 -8.628 2.856
59 HG3 PRO 7 HG2 PRO 7 -11.449 -8.943 4.138
60 HD2 PRO 7 HD3 PRO 7 -11.887 -7.064 2.291
61 HD3 PRO 7 HD2 PRO 7 -12.369 -6.812 3.979
62 H ILE 8 HN ILE 8 -7.826 -5.342 6.068
63 HA ILE 8 HA ILE 8 -6.053 -4.222 4.222
64 HB ILE 8 HB ILE 8 -5.670 -5.055 7.095
65 HG12 ILE 8 HG12 ILE 8 -5.529 -2.530 7.381
66 HG13 ILE 8 HG11 ILE 8 -6.073 -2.396 5.714
67 HG21 ILE 8 HG21 ILE 8 -3.714 -3.551 5.358
68 HG22 ILE 8 HG22 ILE 8 -3.504 -5.186 5.984
69 HG23 ILE 8 HG23 ILE 8 -3.559 -3.817 7.096
70 HD11 ILE 8 HD11 ILE 8 -7.893 -2.091 7.302
71 HD12 ILE 8 HD12 ILE 8 -7.600 -3.704 7.953
72 HD13 ILE 8 HD13 ILE 8 -8.151 -3.509 6.289
73 H ASP 9 HN ASP 9 -4.931 -5.244 2.761
74 HA ASP 9 HA ASP 9 -4.194 -8.040 3.188
75 HB2 ASP 9 HB3 ASP 9 -5.498 -6.975 1.078
76 HB3 ASP 9 HB2 ASP 9 -3.835 -6.826 0.513
77 H THR 10 HN THR 10 -2.153 -8.664 1.953
78 HA THR 10 HA THR 10 -0.031 -6.994 3.059
79 HB THR 10 HB THR 10 1.397 -9.021 2.454
80 HG1 THR 10 HG2 THR 10 -1.077 -10.408 2.359
81 HG21 THR 10 HG21 THR 10 -0.877 -9.347 4.412
82 HG22 THR 10 HG22 THR 10 0.655 -8.535 4.728
83 HG23 THR 10 HG23 THR 10 0.625 -10.273 4.424
84 H CYS 11 HN CYS 11 2.125 -7.374 1.602
85 HA CYS 11 HA CYS 11 1.890 -5.790 -0.695
86 HB2 CYS 11 HB3 CYS 11 3.972 -6.126 0.608
87 HB3 CYS 11 HB2 CYS 11 4.070 -7.764 -0.019
88 H ARG 12 HN ARG 12 0.616 -8.746 -0.415
89 HA ARG 12 HA ARG 12 1.024 -10.072 -2.800
90 HB2 ARG 12 HB3 ARG 12 -0.563 -11.292 -1.794
91 HB3 ARG 12 HB2 ARG 12 -0.953 -9.961 -0.721
92 HG2 ARG 12 HG3 ARG 12 -2.968 -10.154 -1.654
93 HG3 ARG 12 HG2 ARG 12 -2.251 -9.163 -2.920
94 HD2 ARG 12 HD3 ARG 12 -2.166 -12.161 -3.029
95 HD3 ARG 12 HD2 ARG 12 -3.539 -11.249 -3.645
96 HE ARG 12 HE ARG 12 -1.183 -10.210 -4.765
97 HH11 ARG 12 HH11 ARG 12 -3.149 -13.107 -4.900
98 HH12 ARG 12 HH12 ARG 12 -2.739 -13.455 -6.549
99 HH21 ARG 12 HH21 ARG 12 -0.648 -10.671 -6.935
100 HH22 ARG 12 HH22 ARG 12 -1.306 -12.081 -7.698
101 H LEU 13 HN LEU 13 -0.909 -7.163 -2.129
102 HA LEU 13 HA LEU 13 -1.605 -6.796 -4.900
103 HB2 LEU 13 HB3 LEU 13 -1.851 -5.088 -2.449
104 HB3 LEU 13 HB2 LEU 13 -2.065 -4.378 -4.037
105 HG LEU 13 HG LEU 13 -3.837 -6.171 -4.428
106 HD11 LEU 13 HD11 LEU 13 -3.644 -6.368 -1.433
107 HD12 LEU 13 HD12 LEU 13 -3.227 -7.631 -2.587
108 HD13 LEU 13 HD13 LEU 13 -4.897 -7.088 -2.444
109 HD21 LEU 13 HD21 LEU 13 -5.542 -4.857 -3.273
110 HD22 LEU 13 HD22 LEU 13 -4.359 -3.831 -4.085
111 HD23 LEU 13 HD23 LEU 13 -4.282 -4.054 -2.337
112 H ARG 14 HN ARG 14 -0.388 -5.805 -6.438
113 HA ARG 14 HA ARG 14 2.066 -4.518 -5.515
114 HB2 ARG 14 HB3 ARG 14 1.874 -6.855 -7.344
115 HB3 ARG 14 HB2 ARG 14 3.286 -5.819 -7.325
116 HG2 ARG 14 HG3 ARG 14 2.166 -7.125 -4.879
117 HG3 ARG 14 HG2 ARG 14 3.397 -7.888 -5.902
118 HD2 ARG 14 HD3 ARG 14 3.644 -5.163 -4.684
119 HD3 ARG 14 HD2 ARG 14 4.285 -6.624 -3.937
120 HE ARG 14 HE ARG 14 5.204 -6.323 -6.619
121 HH11 ARG 14 HH11 ARG 14 5.733 -5.178 -3.359
122 HH12 ARG 14 HH12 ARG 14 7.405 -4.801 -3.633
123 HH21 ARG 14 HH21 ARG 14 7.387 -5.835 -6.984
124 HH22 ARG 14 HH22 ARG 14 8.355 -5.180 -5.701
125 H ASN 15 HN ASN 15 3.372 -3.694 -7.397
126 HA ASN 15 HA ASN 15 3.624 -2.144 -8.984
127 HB2 ASN 15 HB3 ASN 15 1.139 -3.468 -10.012
128 HB3 ASN 15 HB2 ASN 15 1.886 -2.115 -10.841
129 HD21 ASN 15 HD21 ASN 15 2.319 -3.387 -12.651
130 HD22 ASN 15 HD22 ASN 15 3.588 -4.558 -12.657
131 H GLY 16 HN GLY 16 1.902 -1.704 -6.490
132 HA2 GLY 16 HA3 GLY 16 0.113 0.385 -7.425
133 HA3 GLY 16 HA2 GLY 16 0.374 -0.107 -5.757
134 H ILE 17 HN ILE 17 2.810 0.349 -5.057
135 HA ILE 17 HA ILE 17 4.447 1.944 -6.750
136 HB ILE 17 HB ILE 17 3.535 3.233 -4.152
137 HG12 ILE 17 HG12 ILE 17 2.204 3.838 -6.155
138 HG13 ILE 17 HG11 ILE 17 3.085 5.206 -5.489
139 HG21 ILE 17 HG21 ILE 17 5.303 4.896 -4.513
140 HG22 ILE 17 HG22 ILE 17 5.898 3.954 -5.881
141 HG23 ILE 17 HG23 ILE 17 5.957 3.279 -4.253
142 HD11 ILE 17 HD11 ILE 17 4.752 5.003 -7.240
143 HD12 ILE 17 HD12 ILE 17 3.132 5.180 -7.919
144 HD13 ILE 17 HD13 ILE 17 3.909 3.598 -7.893
145 H CYS 18 HN CYS 18 6.634 1.457 -6.210
146 HA CYS 18 HA CYS 18 7.013 0.221 -3.566
147 HB2 CYS 18 HB3 CYS 18 8.424 -0.172 -6.160
148 HB3 CYS 18 HB2 CYS 18 9.358 -0.341 -4.678
149 H PHE 19 HN PHE 19 7.346 1.852 -2.214
150 HA PHE 19 HA PHE 19 9.014 4.110 -2.960
151 HB2 PHE 19 HB3 PHE 19 7.321 3.452 -0.557
152 HB3 PHE 19 HB2 PHE 19 8.443 4.800 -0.532
153 HD1 PHE 19 HD1 PHE 19 5.149 3.844 -1.133
154 HD2 PHE 19 HD2 PHE 19 8.176 6.460 -2.584
155 HE1 PHE 19 HE1 PHE 19 3.421 5.282 -2.127
156 HE2 PHE 19 HE2 PHE 19 6.452 7.902 -3.585
157 HZ PHE 19 HZ PHE 19 4.072 7.321 -3.349
158 HA PRO 20 HA PRO 20 12.331 2.547 -0.386
159 HB2 PRO 20 HB3 PRO 20 14.218 4.300 -1.114
160 HB3 PRO 20 HB2 PRO 20 13.740 2.966 -2.172
161 HG2 PRO 20 HG3 PRO 20 13.073 5.862 -2.358
162 HG3 PRO 20 HG2 PRO 20 13.301 4.674 -3.650
163 HD2 PRO 20 HD3 PRO 20 10.839 5.565 -2.585
164 HD3 PRO 20 HD2 PRO 20 11.086 4.199 -3.690
165 H GLY 21 HN GLY 21 11.512 3.046 1.589
166 HA2 GLY 21 HA3 GLY 21 12.029 4.780 3.401
167 HA3 GLY 21 HA2 GLY 21 11.198 5.880 2.303
168 H ILE 22 HN ILE 22 9.088 6.172 2.692
169 HA ILE 22 HA ILE 22 7.474 3.919 3.607
170 HB ILE 22 HB ILE 22 6.347 5.372 5.327
171 HG12 ILE 22 HG12 ILE 22 8.858 7.037 5.051
172 HG13 ILE 22 HG11 ILE 22 7.257 7.529 4.511
173 HG21 ILE 22 HG21 ILE 22 7.859 3.566 5.943
174 HG22 ILE 22 HG22 ILE 22 7.977 4.917 7.070
175 HG23 ILE 22 HG23 ILE 22 9.228 4.673 5.851
176 HD11 ILE 22 HD11 ILE 22 8.048 6.948 7.355
177 HD12 ILE 22 HD12 ILE 22 6.455 7.468 6.807
178 HD13 ILE 22 HD13 ILE 22 7.839 8.547 6.641
179 H CYS 23 HN CYS 23 5.292 4.097 3.177
180 HA CYS 23 HA CYS 23 4.392 6.138 1.331
181 HB2 CYS 23 HB3 CYS 23 2.260 4.504 2.350
182 HB3 CYS 23 HB2 CYS 23 2.934 4.506 0.732
183 H ARG 24 HN ARG 24 2.967 7.807 1.888
184 HA ARG 24 HA ARG 24 1.886 7.680 4.614
185 HB2 ARG 24 HB3 ARG 24 2.165 10.163 4.791
186 HB3 ARG 24 HB2 ARG 24 3.665 9.245 4.793
187 HG2 ARG 24 HG3 ARG 24 4.047 9.816 2.470
188 HG3 ARG 24 HG2 ARG 24 2.504 10.672 2.408
189 HD2 ARG 24 HD3 ARG 24 3.293 12.265 4.052
190 HD3 ARG 24 HD2 ARG 24 4.809 11.380 4.221
191 HE ARG 24 HE ARG 24 4.643 11.998 1.559
192 HH11 ARG 24 HH11 ARG 24 4.603 13.833 4.534
193 HH12 ARG 24 HH12 ARG 24 5.343 15.232 3.832
194 HH21 ARG 24 HH21 ARG 24 5.609 13.834 0.624
195 HH22 ARG 24 HH22 ARG 24 5.904 15.238 1.595
196 H ARG 25 HN ARG 25 1.489 9.126 1.365
197 HA ARG 25 HA ARG 25 -1.147 8.362 1.114
198 HB2 ARG 25 HB3 ARG 25 -0.918 10.724 2.752
199 HB3 ARG 25 HB2 ARG 25 -1.811 11.083 1.279
200 HG2 ARG 25 HG3 ARG 25 -3.455 9.478 1.751
201 HG3 ARG 25 HG2 ARG 25 -2.462 8.705 2.985
202 HD2 ARG 25 HD3 ARG 25 -2.664 10.709 4.380
203 HD3 ARG 25 HD2 ARG 25 -3.683 11.454 3.150
204 HE ARG 25 HE ARG 25 -5.339 9.747 3.588
205 HH11 ARG 25 HH11 ARG 25 -2.768 10.022 5.954
206 HH12 ARG 25 HH12 ARG 25 -3.680 9.273 7.221
207 HH21 ARG 25 HH21 ARG 25 -6.546 8.769 5.256
208 HH22 ARG 25 HH22 ARG 25 -5.836 8.571 6.827
209 HA PRO 26 HA PRO 26 -2.704 8.455 0.038
210 HB2 PRO 26 HB3 PRO 26 -3.520 7.985 -2.681
211 HB3 PRO 26 HB2 PRO 26 -4.330 8.985 -1.471
212 HG2 PRO 26 HG3 PRO 26 -3.168 9.983 -3.738
213 HG3 PRO 26 HG2 PRO 26 -3.344 10.910 -2.233
214 HD2 PRO 26 HD3 PRO 26 -0.944 9.426 -3.270
215 HD3 PRO 26 HD2 PRO 26 -1.035 11.047 -2.538
216 H TYR 27 HN TYR 27 -1.493 6.672 0.638
217 HA TYR 27 HA TYR 27 -1.328 4.449 -1.161
218 HB2 TYR 27 HB3 TYR 27 1.270 5.520 -0.031
219 HB3 TYR 27 HB2 TYR 27 1.077 4.077 -1.008
220 HD1 TYR 27 HD1 TYR 27 0.624 4.260 -3.420
221 HD2 TYR 27 HD2 TYR 27 1.383 7.698 -1.031
222 HE1 TYR 27 HE1 TYR 27 1.107 5.553 -5.450
223 HE2 TYR 27 HE2 TYR 27 1.873 8.994 -3.063
224 HH TYR 27 HH TYR 27 1.102 7.922 -6.172
225 H TYR 28 HN TYR 28 -1.470 2.620 0.040
226 HA TYR 28 HA TYR 28 -1.061 2.974 2.914
227 HB2 TYR 28 HB3 TYR 28 -2.556 1.015 3.239
228 HB3 TYR 28 HB2 TYR 28 -3.347 2.413 2.531
229 HD1 TYR 28 HD1 TYR 28 -2.628 -1.088 2.209
230 HD2 TYR 28 HD2 TYR 28 -3.802 2.371 0.002
231 HE1 TYR 28 HE1 TYR 28 -3.561 -2.525 0.451
232 HE2 TYR 28 HE2 TYR 28 -4.733 0.929 -1.756
233 HH TYR 28 HH TYR 28 -4.581 -1.313 -2.596
234 H TRP 29 HN TRP 29 0.390 1.890 3.929
235 HA TRP 29 HA TRP 29 2.429 0.545 2.540
236 HB2 TRP 29 HB3 TRP 29 2.733 1.850 4.644
237 HB3 TRP 29 HB2 TRP 29 1.895 0.578 5.518
238 HD1 TRP 29 HD1 TRP 29 5.215 1.295 3.746
239 HE1 TRP 29 HE1 TRP 29 6.940 -0.437 4.508
240 HE3 TRP 29 HE3 TRP 29 2.145 -1.753 6.435
241 HZ2 TRP 29 HZ2 TRP 29 6.998 -2.800 6.053
242 HZ3 TRP 29 HZ3 TRP 29 3.106 -3.740 7.524
243 HH2 TRP 29 HH2 TRP 29 5.486 -4.253 7.332
244 H ILE 30 HN ILE 30 2.221 -1.392 1.690
245 HA ILE 30 HA ILE 30 1.155 -3.539 3.396
246 HB ILE 30 HB ILE 30 0.730 -4.753 1.186
247 HG12 ILE 30 HG12 ILE 30 0.953 -1.930 0.085
248 HG13 ILE 30 HG11 ILE 30 2.062 -3.248 -0.268
249 HG21 ILE 30 HG21 ILE 30 -0.884 -2.285 1.809
250 HG22 ILE 30 HG22 ILE 30 -1.060 -3.868 2.567
251 HG23 ILE 30 HG23 ILE 30 -1.438 -3.663 0.857
252 HD11 ILE 30 HD11 ILE 30 0.560 -2.929 -2.105
253 HD12 ILE 30 HD12 ILE 30 -0.841 -3.079 -1.037
254 HD13 ILE 30 HD13 ILE 30 0.207 -4.474 -1.326
255 H GLY 31 HN GLY 31 3.159 -4.049 4.286
256 HA2 GLY 31 HA3 GLY 31 5.172 -5.158 4.421
257 HA3 GLY 31 HA2 GLY 31 4.881 -5.750 2.797
258 H THR 32 HN THR 32 7.332 -5.430 2.818
259 HA THR 32 HA THR 32 8.063 -2.622 2.337
260 HB THR 32 HB THR 32 10.428 -3.422 2.686
261 HG1 THR 32 HG2 THR 32 10.792 -5.462 3.331
262 HG21 THR 32 HG21 THR 32 10.245 -3.530 5.122
263 HG22 THR 32 HG22 THR 32 8.519 -3.862 4.985
264 HG23 THR 32 HG23 THR 32 9.159 -2.302 4.467
265 H CYS 33 HN CYS 33 9.936 -2.365 0.714
266 HA CYS 33 HA CYS 33 10.132 -4.329 -1.370
267 HB2 CYS 33 HB3 CYS 33 7.958 -3.248 -1.926
268 HB3 CYS 33 HB2 CYS 33 8.784 -1.693 -2.002
269 H ASN 34 HN ASN 34 12.255 -4.223 -1.370
270 HA ASN 34 HA ASN 34 13.773 -2.617 -2.920
271 HB2 ASN 34 HB3 ASN 34 13.482 -1.469 -0.202
272 HB3 ASN 34 HB2 ASN 34 15.113 -1.550 -0.843
273 HD21 ASN 34 HD21 ASN 34 13.329 0.705 -0.262
274 HD22 ASN 34 HD22 ASN 34 13.242 1.594 -1.728
275 H ASN 35 HN ASN 35 13.569 -5.298 -2.244
276 HA ASN 35 HA ASN 35 14.696 -7.164 -1.635
277 HB2 ASN 35 HB3 ASN 35 17.029 -5.289 -2.028
278 HB3 ASN 35 HB2 ASN 35 17.214 -7.016 -1.738
279 HD21 ASN 35 HD21 ASN 35 17.917 -5.359 -4.061
280 HD22 ASN 35 HD22 ASN 35 17.123 -6.098 -5.407
281 H GLY 36 HN GLY 36 13.638 -5.644 0.485
282 HA2 GLY 36 HA3 GLY 36 14.105 -6.762 2.752
283 HA3 GLY 36 HA2 GLY 36 15.655 -5.944 2.608
284 H ILE 37 HN ILE 37 15.423 -3.544 2.075
285 HA ILE 37 HA ILE 37 13.685 -2.305 4.007
286 HB ILE 37 HB ILE 37 14.666 -0.172 2.865
287 HG12 ILE 37 HG12 ILE 37 16.649 -2.272 1.979
288 HG13 ILE 37 HG11 ILE 37 15.575 -1.372 0.917
289 HG21 ILE 37 HG21 ILE 37 16.314 -2.075 4.522
290 HG22 ILE 37 HG22 ILE 37 15.199 -0.846 5.116
291 HG23 ILE 37 HG23 ILE 37 16.680 -0.366 4.289
292 HD11 ILE 37 HD11 ILE 37 16.665 0.694 1.530
293 HD12 ILE 37 HD12 ILE 37 17.838 -0.472 0.917
294 HD13 ILE 37 HD13 ILE 37 17.709 -0.175 2.651
295 H GLY 38 HN GLY 38 13.022 0.091 2.692
296 HA2 GLY 38 HA3 GLY 38 11.776 1.003 0.989
297 HA3 GLY 38 HA2 GLY 38 11.655 -0.590 0.254
298 H SER 39 HN SER 39 9.479 0.611 0.141
299 HA SER 39 HA SER 39 7.810 -0.606 2.184
300 HB2 SER 39 HB3 SER 39 8.075 2.279 1.535
301 HB3 SER 39 HB2 SER 39 6.451 1.673 1.899
302 HG SER 39 HG SER 39 8.650 2.036 3.541
303 H CYS 40 HN CYS 40 6.655 -1.963 1.092
304 HA CYS 40 HA CYS 40 5.891 -1.547 -1.658
305 HB2 CYS 40 HB3 CYS 40 6.425 -3.804 -0.817
306 HB3 CYS 40 HB2 CYS 40 5.136 -3.678 0.367
307 H CYS 41 HN CYS 41 4.287 -0.135 -2.066
308 HA CYS 41 HA CYS 41 2.034 -0.077 -0.170
309 HB2 CYS 41 HB3 CYS 41 2.878 2.409 -1.620
310 HB3 CYS 41 HB2 CYS 41 2.027 2.250 -0.087
311 H ALA 42 HN ALA 42 -0.012 0.504 -1.189
312 HA ALA 42 HA ALA 42 0.146 0.397 -4.110
313 HB1 ALA 42 HB1 ALA 42 -2.086 -0.645 -4.135
314 HB2 ALA 42 HB2 ALA 42 -2.066 -0.680 -2.372
315 HB3 ALA 42 HB3 ALA 42 -0.890 -1.633 -3.289
316 H ARG 43 HN ARG 43 -0.676 1.973 -5.250
317 HA ARG 43 HA ARG 43 -1.211 4.440 -4.119
318 HB2 ARG 43 HB3 ARG 43 -0.527 3.879 -6.520
319 HB3 ARG 43 HB2 ARG 43 -2.234 3.586 -6.826
320 HG2 ARG 43 HG3 ARG 43 -1.180 6.189 -5.756
321 HG3 ARG 43 HG2 ARG 43 -1.356 5.849 -7.475
322 HD2 ARG 43 HD3 ARG 43 -3.727 5.596 -7.246
323 HD3 ARG 43 HD2 ARG 43 -3.616 5.690 -5.489
324 HE ARG 43 HE ARG 43 -2.568 8.014 -6.786
325 HH11 ARG 43 HH11 ARG 43 -5.524 6.462 -5.747
326 HH12 ARG 43 HH12 ARG 43 -6.384 7.951 -5.532
327 HH21 ARG 43 HH21 ARG 43 -3.698 9.986 -6.503
328 HH22 ARG 43 HH22 ARG 43 -5.345 9.956 -5.963
329 H GLY 44 HN GLY 44 -2.786 4.884 -2.802
330 HA2 GLY 44 HA3 GLY 44 -5.273 5.475 -3.105
331 HA3 GLY 44 HA2 GLY 44 -5.448 3.738 -3.270
332 H TRP 45 HN TRP 45 -6.895 3.987 -1.423
333 HA TRP 45 HA TRP 45 -5.354 3.716 1.037
334 HB2 TRP 45 HB3 TRP 45 -6.332 6.098 0.741
335 HB3 TRP 45 HB2 TRP 45 -7.887 5.335 1.079
336 HD1 TRP 45 HD1 TRP 45 -8.500 5.196 3.579
337 HE1 TRP 45 HE1 TRP 45 -7.193 5.337 5.793
338 HE3 TRP 45 HE3 TRP 45 -3.781 5.509 1.679
339 HZ2 TRP 45 HZ2 TRP 45 -4.491 5.548 6.614
340 HZ3 TRP 45 HZ3 TRP 45 -1.882 5.681 3.246
341 HH2 TRP 45 HH2 TRP 45 -2.237 5.701 5.661
342 H ARG 46 HN ARG 46 -5.860 1.836 1.886
343 HA ARG 46 HA ARG 46 -8.454 0.659 1.264
344 HB2 ARG 46 HB3 ARG 46 -6.686 -0.782 0.764
345 HB3 ARG 46 HB2 ARG 46 -5.852 -0.446 2.271
346 HG2 ARG 46 HG3 ARG 46 -7.437 -1.736 3.500
347 HG3 ARG 46 HG2 ARG 46 -8.485 -1.892 2.086
348 HD2 ARG 46 HD3 ARG 46 -5.709 -3.035 2.395
349 HD3 ARG 46 HD2 ARG 46 -7.223 -3.940 2.444
350 HE ARG 46 HE ARG 46 -6.277 -2.493 0.039
351 HH11 ARG 46 HH11 ARG 46 -7.649 -5.347 1.548
352 HH12 ARG 46 HH12 ARG 46 -7.984 -6.125 0.034
353 HH21 ARG 46 HH21 ARG 46 -6.739 -3.526 -1.945
354 HH22 ARG 46 HH22 ARG 46 -7.478 -5.098 -1.938
355 H SER 47 HN SER 47 -9.915 0.088 2.693
356 HA SER 47 HA SER 47 -11.194 0.095 4.552
357 HB2 SER 47 HB3 SER 47 -9.260 -1.317 5.392
358 HB3 SER 47 HB2 SER 47 -8.642 0.140 6.169
359 HG SER 47 HG SER 47 -10.352 0.174 7.517
Start of MODEL 4
1 H PCA 1 HT2 PCA 1 -15.995 5.795 2.305
2 HA PCA 1 HA PCA 1 -14.985 4.025 1.679
3 HB2 PCA 1 HB2 PCA 1 -15.314 2.137 2.903
4 HB3 PCA 1 HB3 PCA 1 -16.964 1.955 2.292
5 HG2 PCA 1 HG2 PCA 1 -16.036 3.275 4.753
6 HG3 PCA 1 HG3 PCA 1 -17.689 2.772 4.298
7 HT1 PCA 1 HT1 PCA 1 -17.448 5.293 1.707
8 HA PRO 2 HA PRO 2 -17.205 3.684 -2.252
9 HB2 PRO 2 HB3 PRO 2 -14.643 3.078 -3.453
10 HB3 PRO 2 HB2 PRO 2 -15.618 4.539 -3.632
11 HG2 PRO 2 HG3 PRO 2 -13.205 4.476 -2.348
12 HG3 PRO 2 HG2 PRO 2 -14.484 5.648 -1.985
13 HD2 PRO 2 HD3 PRO 2 -13.756 3.125 -0.538
14 HD3 PRO 2 HD2 PRO 2 -14.204 4.717 0.122
15 H PHE 3 HN PHE 3 -14.797 1.582 -0.896
16 HA PHE 3 HA PHE 3 -16.185 -0.740 -2.026
17 HB2 PHE 3 HB3 PHE 3 -14.164 -1.879 -2.354
18 HB3 PHE 3 HB2 PHE 3 -13.727 -0.235 -2.803
19 HD1 PHE 3 HD1 PHE 3 -12.822 -3.022 -0.899
20 HD2 PHE 3 HD2 PHE 3 -12.785 1.233 -0.817
21 HE1 PHE 3 HE1 PHE 3 -11.049 -3.072 0.802
22 HE2 PHE 3 HE2 PHE 3 -11.010 1.185 0.884
23 HZ PHE 3 HZ PHE 3 -10.155 -0.971 1.699
24 H ILE 4 HN ILE 4 -15.922 -2.690 -0.520
25 HA ILE 4 HA ILE 4 -16.427 -1.804 2.179
26 HB ILE 4 HB ILE 4 -17.876 -3.523 1.278
27 HG12 ILE 4 HG12 ILE 4 -17.572 -5.295 3.058
28 HG13 ILE 4 HG11 ILE 4 -16.087 -4.469 3.517
29 HG21 ILE 4 HG21 ILE 4 -15.396 -5.207 1.009
30 HG22 ILE 4 HG22 ILE 4 -16.418 -4.603 -0.294
31 HG23 ILE 4 HG23 ILE 4 -17.045 -5.804 0.832
32 HD11 ILE 4 HD11 ILE 4 -17.355 -2.463 4.045
33 HD12 ILE 4 HD12 ILE 4 -17.947 -3.852 4.956
34 HD13 ILE 4 HD13 ILE 4 -18.845 -3.269 3.555
35 HA PRO 5 HA PRO 5 -12.083 -1.945 3.346
36 HB2 PRO 5 HB3 PRO 5 -12.929 -2.199 6.069
37 HB3 PRO 5 HB2 PRO 5 -12.267 -0.779 5.264
38 HG2 PRO 5 HG3 PRO 5 -15.068 -1.480 5.839
39 HG3 PRO 5 HG2 PRO 5 -14.344 0.108 5.545
40 HD2 PRO 5 HD3 PRO 5 -15.949 -1.089 3.751
41 HD3 PRO 5 HD2 PRO 5 -14.590 -0.065 3.259
42 H ARG 6 HN ARG 6 -11.243 -3.850 2.828
43 HA ARG 6 HA ARG 6 -11.926 -6.219 4.408
44 HB2 ARG 6 HB3 ARG 6 -10.206 -5.893 1.932
45 HB3 ARG 6 HB2 ARG 6 -10.513 -7.421 2.744
46 HG2 ARG 6 HG3 ARG 6 -12.854 -7.297 2.200
47 HG3 ARG 6 HG2 ARG 6 -12.641 -5.685 1.510
48 HD2 ARG 6 HD3 ARG 6 -12.754 -7.367 -0.245
49 HD3 ARG 6 HD2 ARG 6 -11.162 -6.613 -0.200
50 HE ARG 6 HE ARG 6 -11.331 -9.050 1.323
51 HH11 ARG 6 HH11 ARG 6 -10.707 -7.662 -1.831
52 HH12 ARG 6 HH12 ARG 6 -9.819 -9.042 -2.399
53 HH21 ARG 6 HH21 ARG 6 -10.160 -10.860 0.588
54 HH22 ARG 6 HH22 ARG 6 -9.502 -10.860 -1.019
55 HA PRO 7 HA PRO 7 -8.398 -6.012 7.111
56 HB2 PRO 7 HB3 PRO 7 -7.377 -8.582 6.409
57 HB3 PRO 7 HB2 PRO 7 -8.346 -8.160 7.820
58 HG2 PRO 7 HG3 PRO 7 -9.179 -9.376 5.259
59 HG3 PRO 7 HG2 PRO 7 -9.921 -9.503 6.861
60 HD2 PRO 7 HD3 PRO 7 -11.030 -8.049 4.891
61 HD3 PRO 7 HD2 PRO 7 -11.133 -7.551 6.594
62 H ILE 8 HN ILE 8 -6.582 -4.976 6.736
63 HA ILE 8 HA ILE 8 -5.677 -4.513 4.133
64 HB ILE 8 HB ILE 8 -4.392 -3.890 6.784
65 HG12 ILE 8 HG12 ILE 8 -5.965 -2.200 4.828
66 HG13 ILE 8 HG11 ILE 8 -6.595 -2.867 6.326
67 HG21 ILE 8 HG21 ILE 8 -2.673 -3.935 5.058
68 HG22 ILE 8 HG22 ILE 8 -3.007 -2.273 5.543
69 HG23 ILE 8 HG23 ILE 8 -3.659 -2.896 4.027
70 HD11 ILE 8 HD11 ILE 8 -6.073 -0.533 6.580
71 HD12 ILE 8 HD12 ILE 8 -4.409 -0.821 6.067
72 HD13 ILE 8 HD13 ILE 8 -4.997 -1.507 7.583
73 H ASP 9 HN ASP 9 -4.632 -5.800 2.871
74 HA ASP 9 HA ASP 9 -3.254 -8.109 3.888
75 HB2 ASP 9 HB3 ASP 9 -3.748 -7.155 1.061
76 HB3 ASP 9 HB2 ASP 9 -2.918 -8.660 1.460
77 H THR 10 HN THR 10 -1.162 -8.719 3.056
78 HA THR 10 HA THR 10 0.770 -6.613 3.232
79 HB THR 10 HB THR 10 2.385 -8.517 2.803
80 HG1 THR 10 HG2 THR 10 1.580 -10.551 2.651
81 HG21 THR 10 HG21 THR 10 1.824 -7.700 5.036
82 HG22 THR 10 HG22 THR 10 2.054 -9.450 5.047
83 HG23 THR 10 HG23 THR 10 0.426 -8.771 5.083
84 H CYS 11 HN CYS 11 2.714 -7.126 1.526
85 HA CYS 11 HA CYS 11 2.010 -5.871 -0.854
86 HB2 CYS 11 HB3 CYS 11 4.273 -6.038 0.233
87 HB3 CYS 11 HB2 CYS 11 4.386 -7.670 -0.405
88 H ARG 12 HN ARG 12 1.042 -8.912 -0.078
89 HA ARG 12 HA ARG 12 1.420 -10.377 -2.424
90 HB2 ARG 12 HB3 ARG 12 -0.411 -11.753 -1.770
91 HB3 ARG 12 HB2 ARG 12 0.590 -11.383 -0.383
92 HG2 ARG 12 HG3 ARG 12 -1.045 -9.791 0.409
93 HG3 ARG 12 HG2 ARG 12 -2.048 -10.100 -1.020
94 HD2 ARG 12 HD3 ARG 12 -2.336 -12.377 -0.427
95 HD3 ARG 12 HD2 ARG 12 -1.114 -12.244 0.830
96 HE ARG 12 HE ARG 12 -3.343 -10.510 1.287
97 HH11 ARG 12 HH11 ARG 12 -2.207 -13.800 1.630
98 HH12 ARG 12 HH12 ARG 12 -3.326 -14.193 2.894
99 HH21 ARG 12 HH21 ARG 12 -4.837 -11.019 2.943
100 HH22 ARG 12 HH22 ARG 12 -4.822 -12.615 3.640
101 H LEU 13 HN LEU 13 -0.903 -7.854 -1.627
102 HA LEU 13 HA LEU 13 -1.983 -7.926 -4.337
103 HB2 LEU 13 HB3 LEU 13 -2.481 -6.247 -1.896
104 HB3 LEU 13 HB2 LEU 13 -2.952 -5.637 -3.466
105 HG LEU 13 HG LEU 13 -4.852 -6.638 -2.351
106 HD11 LEU 13 HD11 LEU 13 -3.897 -8.364 -4.628
107 HD12 LEU 13 HD12 LEU 13 -4.734 -6.820 -4.780
108 HD13 LEU 13 HD13 LEU 13 -5.561 -8.203 -4.069
109 HD21 LEU 13 HD21 LEU 13 -3.269 -9.198 -2.325
110 HD22 LEU 13 HD22 LEU 13 -4.940 -8.995 -1.799
111 HD23 LEU 13 HD23 LEU 13 -3.634 -8.203 -0.916
112 H ARG 14 HN ARG 14 -0.455 -7.296 -5.828
113 HA ARG 14 HA ARG 14 1.655 -5.600 -4.792
114 HB2 ARG 14 HB3 ARG 14 2.118 -7.917 -5.551
115 HB3 ARG 14 HB2 ARG 14 1.633 -7.438 -7.175
116 HG2 ARG 14 HG3 ARG 14 3.926 -7.273 -7.205
117 HG3 ARG 14 HG2 ARG 14 3.361 -5.618 -6.949
118 HD2 ARG 14 HD3 ARG 14 5.235 -6.125 -5.469
119 HD3 ARG 14 HD2 ARG 14 3.748 -5.832 -4.555
120 HE ARG 14 HE ARG 14 3.590 -8.173 -4.136
121 HH11 ARG 14 HH11 ARG 14 6.598 -7.205 -5.647
122 HH12 ARG 14 HH12 ARG 14 7.473 -8.599 -5.099
123 HH21 ARG 14 HH21 ARG 14 4.739 -10.017 -3.414
124 HH22 ARG 14 HH22 ARG 14 6.415 -10.198 -3.827
125 H ASN 15 HN ASN 15 2.739 -4.144 -6.194
126 HA ASN 15 HA ASN 15 3.125 -2.719 -7.880
127 HB2 ASN 15 HB3 ASN 15 1.053 -4.400 -9.273
128 HB3 ASN 15 HB2 ASN 15 1.820 -3.016 -10.045
129 HD21 ASN 15 HD21 ASN 15 1.925 -5.864 -10.711
130 HD22 ASN 15 HD22 ASN 15 3.601 -6.281 -10.713
131 H GLY 16 HN GLY 16 2.085 -1.359 -6.097
132 HA2 GLY 16 HA3 GLY 16 0.069 0.209 -7.565
133 HA3 GLY 16 HA2 GLY 16 0.065 0.096 -5.813
134 H ILE 17 HN ILE 17 2.550 0.583 -4.985
135 HA ILE 17 HA ILE 17 4.290 1.804 -6.849
136 HB ILE 17 HB ILE 17 3.019 3.678 -4.876
137 HG12 ILE 17 HG12 ILE 17 4.050 3.903 -7.714
138 HG13 ILE 17 HG11 ILE 17 2.371 3.920 -7.190
139 HG21 ILE 17 HG21 ILE 17 5.861 3.933 -5.858
140 HG22 ILE 17 HG22 ILE 17 5.373 3.588 -4.200
141 HG23 ILE 17 HG23 ILE 17 4.971 5.141 -4.932
142 HD11 ILE 17 HD11 ILE 17 4.425 6.040 -6.616
143 HD12 ILE 17 HD12 ILE 17 2.748 6.061 -6.077
144 HD13 ILE 17 HD13 ILE 17 3.121 6.139 -7.799
145 H CYS 18 HN CYS 18 6.323 1.195 -6.275
146 HA CYS 18 HA CYS 18 6.783 0.388 -3.501
147 HB2 CYS 18 HB3 CYS 18 8.175 -0.106 -6.089
148 HB3 CYS 18 HB2 CYS 18 9.154 -0.098 -4.626
149 H PHE 19 HN PHE 19 7.378 1.916 -2.127
150 HA PHE 19 HA PHE 19 8.873 4.231 -3.101
151 HB2 PHE 19 HB3 PHE 19 7.429 3.628 -0.525
152 HB3 PHE 19 HB2 PHE 19 8.496 5.009 -0.682
153 HD1 PHE 19 HD1 PHE 19 5.224 3.692 -1.277
154 HD2 PHE 19 HD2 PHE 19 7.929 6.783 -2.379
155 HE1 PHE 19 HE1 PHE 19 3.358 4.989 -2.216
156 HE2 PHE 19 HE2 PHE 19 6.067 8.085 -3.311
157 HZ PHE 19 HZ PHE 19 3.764 7.257 -3.108
158 HA PRO 20 HA PRO 20 12.430 2.671 -0.855
159 HB2 PRO 20 HB3 PRO 20 14.158 4.630 -1.471
160 HB3 PRO 20 HB2 PRO 20 13.695 3.398 -2.651
161 HG2 PRO 20 HG3 PRO 20 12.844 6.239 -2.445
162 HG3 PRO 20 HG2 PRO 20 13.052 5.227 -3.883
163 HD2 PRO 20 HD3 PRO 20 10.620 5.831 -2.584
164 HD3 PRO 20 HD2 PRO 20 10.871 4.603 -3.839
165 H GLY 21 HN GLY 21 11.681 2.897 1.206
166 HA2 GLY 21 HA3 GLY 21 12.279 4.324 3.208
167 HA3 GLY 21 HA2 GLY 21 11.500 5.621 2.309
168 H ILE 22 HN ILE 22 9.357 5.912 2.568
169 HA ILE 22 HA ILE 22 7.710 3.738 3.608
170 HB ILE 22 HB ILE 22 6.767 5.348 5.350
171 HG12 ILE 22 HG12 ILE 22 9.436 6.692 4.862
172 HG13 ILE 22 HG11 ILE 22 7.857 7.382 4.503
173 HG21 ILE 22 HG21 ILE 22 9.550 4.248 5.698
174 HG22 ILE 22 HG22 ILE 22 8.036 3.382 5.958
175 HG23 ILE 22 HG23 ILE 22 8.473 4.728 7.009
176 HD11 ILE 22 HD11 ILE 22 8.798 8.291 6.553
177 HD12 ILE 22 HD12 ILE 22 8.879 6.670 7.243
178 HD13 ILE 22 HD13 ILE 22 7.316 7.394 6.871
179 H CYS 23 HN CYS 23 5.568 3.899 3.139
180 HA CYS 23 HA CYS 23 4.621 5.942 1.324
181 HB2 CYS 23 HB3 CYS 23 2.550 4.263 2.470
182 HB3 CYS 23 HB2 CYS 23 3.069 4.362 0.799
183 H ARG 24 HN ARG 24 3.627 7.832 2.029
184 HA ARG 24 HA ARG 24 2.531 7.685 4.758
185 HB2 ARG 24 HB3 ARG 24 2.888 10.129 4.923
186 HB3 ARG 24 HB2 ARG 24 4.374 9.216 4.725
187 HG2 ARG 24 HG3 ARG 24 4.435 9.822 2.360
188 HG3 ARG 24 HG2 ARG 24 2.940 10.741 2.560
189 HD2 ARG 24 HD3 ARG 24 4.053 12.194 4.181
190 HD3 ARG 24 HD2 ARG 24 5.539 11.268 3.993
191 HE ARG 24 HE ARG 24 4.657 12.242 1.486
192 HH11 ARG 24 HH11 ARG 24 6.169 13.287 4.463
193 HH12 ARG 24 HH12 ARG 24 7.016 14.608 3.724
194 HH21 ARG 24 HH21 ARG 24 5.768 13.983 0.503
195 HH22 ARG 24 HH22 ARG 24 6.796 14.994 1.465
196 H ARG 25 HN ARG 25 1.916 9.108 1.522
197 HA ARG 25 HA ARG 25 -0.711 8.307 1.432
198 HB2 ARG 25 HB3 ARG 25 -0.450 10.599 3.138
199 HB3 ARG 25 HB2 ARG 25 -1.376 11.045 1.708
200 HG2 ARG 25 HG3 ARG 25 -3.033 9.449 2.140
201 HG3 ARG 25 HG2 ARG 25 -2.014 8.570 3.276
202 HD2 ARG 25 HD3 ARG 25 -2.127 10.493 4.812
203 HD3 ARG 25 HD2 ARG 25 -3.211 11.307 3.683
204 HE ARG 25 HE ARG 25 -4.684 9.258 4.036
205 HH11 ARG 25 HH11 ARG 25 -2.589 10.594 6.506
206 HH12 ARG 25 HH12 ARG 25 -3.531 9.965 7.821
207 HH21 ARG 25 HH21 ARG 25 -5.927 8.436 5.780
208 HH22 ARG 25 HH22 ARG 25 -5.417 8.744 7.413
209 HA PRO 26 HA PRO 26 -2.444 8.577 0.501
210 HB2 PRO 26 HB3 PRO 26 -3.515 8.328 -2.170
211 HB3 PRO 26 HB2 PRO 26 -4.185 9.238 -0.811
212 HG2 PRO 26 HG3 PRO 26 -3.216 10.430 -3.051
213 HG3 PRO 26 HG2 PRO 26 -3.142 11.184 -1.443
214 HD2 PRO 26 HD3 PRO 26 -0.994 9.663 -2.909
215 HD3 PRO 26 HD2 PRO 26 -0.879 11.226 -2.063
216 H TYR 27 HN TYR 27 -1.379 6.693 0.908
217 HA TYR 27 HA TYR 27 -1.430 4.592 -1.037
218 HB2 TYR 27 HB3 TYR 27 1.262 5.527 0.008
219 HB3 TYR 27 HB2 TYR 27 0.984 4.070 -0.928
220 HD1 TYR 27 HD1 TYR 27 0.586 4.181 -3.318
221 HD2 TYR 27 HD2 TYR 27 1.251 7.720 -1.050
222 HE1 TYR 27 HE1 TYR 27 1.015 5.418 -5.391
223 HE2 TYR 27 HE2 TYR 27 1.679 8.966 -3.125
224 HH TYR 27 HH TYR 27 2.385 8.518 -5.440
225 H TYR 28 HN TYR 28 -1.426 2.640 -0.003
226 HA TYR 28 HA TYR 28 -1.153 2.803 2.912
227 HB2 TYR 28 HB3 TYR 28 -2.529 0.667 2.915
228 HB3 TYR 28 HB2 TYR 28 -3.373 2.135 2.440
229 HD1 TYR 28 HD1 TYR 28 -2.534 -1.232 1.528
230 HD2 TYR 28 HD2 TYR 28 -3.708 2.544 -0.085
231 HE1 TYR 28 HE1 TYR 28 -3.298 -2.338 -0.534
232 HE2 TYR 28 HE2 TYR 28 -4.466 1.435 -2.134
233 HH TYR 28 HH TYR 28 -4.845 -1.930 -2.386
234 H TRP 29 HN TRP 29 0.377 1.756 3.880
235 HA TRP 29 HA TRP 29 2.446 0.479 2.465
236 HB2 TRP 29 HB3 TRP 29 2.774 1.680 4.609
237 HB3 TRP 29 HB2 TRP 29 1.849 0.440 5.437
238 HD1 TRP 29 HD1 TRP 29 5.278 1.039 3.824
239 HE1 TRP 29 HE1 TRP 29 6.882 -0.797 4.620
240 HE3 TRP 29 HE3 TRP 29 1.935 -1.937 6.266
241 HZ2 TRP 29 HZ2 TRP 29 6.749 -3.207 6.091
242 HZ3 TRP 29 HZ3 TRP 29 2.748 -3.997 7.340
243 HH2 TRP 29 HH2 TRP 29 5.107 -4.619 7.249
244 H ILE 30 HN ILE 30 2.294 -1.416 1.553
245 HA ILE 30 HA ILE 30 1.033 -3.609 3.044
246 HB ILE 30 HB ILE 30 0.754 -4.685 0.738
247 HG12 ILE 30 HG12 ILE 30 1.070 -1.808 -0.163
248 HG13 ILE 30 HG11 ILE 30 2.245 -3.081 -0.465
249 HG21 ILE 30 HG21 ILE 30 -1.363 -3.543 0.330
250 HG22 ILE 30 HG22 ILE 30 -0.847 -2.206 1.357
251 HG23 ILE 30 HG23 ILE 30 -1.112 -3.804 2.057
252 HD11 ILE 30 HD11 ILE 30 0.801 -2.560 -2.387
253 HD12 ILE 30 HD12 ILE 30 -0.593 -3.105 -1.449
254 HD13 ILE 30 HD13 ILE 30 0.698 -4.243 -1.869
255 H GLY 31 HN GLY 31 2.889 -4.293 4.048
256 HA2 GLY 31 HA3 GLY 31 4.896 -5.380 4.298
257 HA3 GLY 31 HA2 GLY 31 4.694 -5.945 2.651
258 H THR 32 HN THR 32 7.154 -5.655 2.911
259 HA THR 32 HA THR 32 7.953 -2.874 2.431
260 HB THR 32 HB THR 32 10.314 -3.966 2.636
261 HG1 THR 32 HG2 THR 32 8.987 -5.812 4.295
262 HG21 THR 32 HG21 THR 32 9.372 -2.384 4.252
263 HG22 THR 32 HG22 THR 32 10.269 -3.666 5.062
264 HG23 THR 32 HG23 THR 32 8.506 -3.703 5.041
265 H CYS 33 HN CYS 33 9.730 -2.545 0.840
266 HA CYS 33 HA CYS 33 9.689 -4.422 -1.417
267 HB2 CYS 33 HB3 CYS 33 8.011 -2.554 -1.816
268 HB3 CYS 33 HB2 CYS 33 9.366 -1.432 -1.801
269 H ASN 34 HN ASN 34 11.429 -3.268 -3.124
270 HA ASN 34 HA ASN 34 13.624 -2.837 -3.497
271 HB2 ASN 34 HB3 ASN 34 13.487 -1.501 -0.790
272 HB3 ASN 34 HB2 ASN 34 14.881 -1.418 -1.854
273 HD21 ASN 34 HD21 ASN 34 13.295 0.743 -0.851
274 HD22 ASN 34 HD22 ASN 34 12.627 1.548 -2.226
275 H ASN 35 HN ASN 35 12.545 -4.951 -1.319
276 HA ASN 35 HA ASN 35 13.329 -6.847 -0.384
277 HB2 ASN 35 HB3 ASN 35 15.807 -6.208 -1.988
278 HB3 ASN 35 HB2 ASN 35 15.581 -7.700 -1.082
279 HD21 ASN 35 HD21 ASN 35 14.694 -5.886 -3.884
280 HD22 ASN 35 HD22 ASN 35 13.805 -7.139 -4.673
281 H GLY 36 HN GLY 36 13.169 -5.862 1.672
282 HA2 GLY 36 HA3 GLY 36 14.423 -6.252 3.728
283 HA3 GLY 36 HA2 GLY 36 15.822 -5.541 2.935
284 H ILE 37 HN ILE 37 15.331 -3.268 2.070
285 HA ILE 37 HA ILE 37 14.191 -1.666 4.213
286 HB ILE 37 HB ILE 37 14.979 -0.052 1.993
287 HG12 ILE 37 HG12 ILE 37 17.499 -0.712 2.171
288 HG13 ILE 37 HG11 ILE 37 16.872 -2.290 2.632
289 HG21 ILE 37 HG21 ILE 37 14.975 0.650 4.314
290 HG22 ILE 37 HG22 ILE 37 16.580 0.856 3.615
291 HG23 ILE 37 HG23 ILE 37 16.253 -0.506 4.686
292 HD11 ILE 37 HD11 ILE 37 15.641 -2.410 0.524
293 HD12 ILE 37 HD12 ILE 37 17.373 -2.209 0.264
294 HD13 ILE 37 HD13 ILE 37 16.284 -0.835 0.064
295 H GLY 38 HN GLY 38 13.513 0.477 2.155
296 HA2 GLY 38 HA3 GLY 38 11.871 1.124 0.733
297 HA3 GLY 38 HA2 GLY 38 11.863 -0.528 0.152
298 H SER 39 HN SER 39 9.587 0.696 0.023
299 HA SER 39 HA SER 39 8.026 -0.707 2.047
300 HB2 SER 39 HB3 SER 39 6.574 1.214 2.385
301 HB3 SER 39 HB2 SER 39 8.243 1.655 2.742
302 HG SER 39 HG SER 39 6.654 2.366 0.538
303 H CYS 40 HN CYS 40 6.731 -2.036 0.998
304 HA CYS 40 HA CYS 40 5.990 -1.510 -1.750
305 HB2 CYS 40 HB3 CYS 40 6.483 -3.825 -1.069
306 HB3 CYS 40 HB2 CYS 40 5.205 -3.752 0.138
307 H CYS 41 HN CYS 41 4.354 -0.210 -2.174
308 HA CYS 41 HA CYS 41 2.097 -0.157 -0.303
309 HB2 CYS 41 HB3 CYS 41 2.876 2.379 -1.661
310 HB3 CYS 41 HB2 CYS 41 2.154 2.135 -0.074
311 H ALA 42 HN ALA 42 0.139 0.826 -1.430
312 HA ALA 42 HA ALA 42 0.452 0.824 -4.321
313 HB1 ALA 42 HB1 ALA 42 -1.736 -0.647 -2.866
314 HB2 ALA 42 HB2 ALA 42 -0.446 -1.362 -3.844
315 HB3 ALA 42 HB3 ALA 42 -1.696 -0.374 -4.606
316 H ARG 43 HN ARG 43 -0.775 2.203 -5.466
317 HA ARG 43 HA ARG 43 -1.375 4.602 -4.158
318 HB2 ARG 43 HB3 ARG 43 -0.713 4.480 -6.526
319 HB3 ARG 43 HB2 ARG 43 -2.243 3.700 -6.909
320 HG2 ARG 43 HG3 ARG 43 -3.414 5.725 -6.071
321 HG3 ARG 43 HG2 ARG 43 -1.837 6.498 -5.885
322 HD2 ARG 43 HD3 ARG 43 -2.897 7.137 -7.986
323 HD3 ARG 43 HD2 ARG 43 -1.417 6.225 -8.269
324 HE ARG 43 HE ARG 43 -3.853 4.660 -8.268
325 HH11 ARG 43 HH11 ARG 43 -1.520 6.440 -10.174
326 HH12 ARG 43 HH12 ARG 43 -1.931 5.645 -11.659
327 HH21 ARG 43 HH21 ARG 43 -4.405 3.604 -10.213
328 HH22 ARG 43 HH22 ARG 43 -3.571 4.016 -11.679
329 H GLY 44 HN GLY 44 -2.983 4.997 -2.897
330 HA2 GLY 44 HA3 GLY 44 -5.476 5.466 -3.222
331 HA3 GLY 44 HA2 GLY 44 -5.582 3.724 -3.415
332 H TRP 45 HN TRP 45 -6.915 3.473 -1.629
333 HA TRP 45 HA TRP 45 -5.454 3.424 0.860
334 HB2 TRP 45 HB3 TRP 45 -6.590 5.731 0.603
335 HB3 TRP 45 HB2 TRP 45 -8.093 4.855 0.891
336 HD1 TRP 45 HD1 TRP 45 -8.752 4.661 3.377
337 HE1 TRP 45 HE1 TRP 45 -7.499 4.828 5.624
338 HE3 TRP 45 HE3 TRP 45 -4.016 5.233 1.587
339 HZ2 TRP 45 HZ2 TRP 45 -4.830 5.148 6.504
340 HZ3 TRP 45 HZ3 TRP 45 -2.163 5.466 3.197
341 HH2 TRP 45 HH2 TRP 45 -2.568 5.423 5.604
342 H ARG 46 HN ARG 46 -5.841 1.513 1.711
343 HA ARG 46 HA ARG 46 -8.539 0.403 1.440
344 HB2 ARG 46 HB3 ARG 46 -6.894 -1.163 0.770
345 HB3 ARG 46 HB2 ARG 46 -5.910 -0.861 2.198
346 HG2 ARG 46 HG3 ARG 46 -7.696 -1.851 3.580
347 HG3 ARG 46 HG2 ARG 46 -8.621 -2.186 2.117
348 HD2 ARG 46 HD3 ARG 46 -5.864 -3.257 2.673
349 HD3 ARG 46 HD2 ARG 46 -7.356 -4.134 3.007
350 HE ARG 46 HE ARG 46 -6.923 -3.218 0.270
351 HH11 ARG 46 HH11 ARG 46 -6.982 -5.848 2.576
352 HH12 ARG 46 HH12 ARG 46 -6.827 -7.088 1.365
353 HH21 ARG 46 HH21 ARG 46 -6.785 -4.852 -1.336
354 HH22 ARG 46 HH22 ARG 46 -6.756 -6.518 -0.850
355 H SER 47 HN SER 47 -9.769 -0.009 3.142
356 HA SER 47 HA SER 47 -10.688 0.170 5.197
357 HB2 SER 47 HB3 SER 47 -8.602 -1.285 5.693
358 HB3 SER 47 HB2 SER 47 -7.941 0.177 6.418
359 HG SER 47 HG SER 47 -9.300 0.017 8.038
Start of MODEL 5
1 H PCA 1 HT2 PCA 1 -12.223 7.524 -3.806
2 HA PCA 1 HA PCA 1 -11.561 5.449 -3.854
3 HB2 PCA 1 HB2 PCA 1 -12.549 3.821 -2.585
4 HB3 PCA 1 HB3 PCA 1 -14.150 4.143 -3.267
5 HG2 PCA 1 HG2 PCA 1 -12.885 5.318 -0.886
6 HG3 PCA 1 HG3 PCA 1 -14.595 5.390 -1.400
7 HT1 PCA 1 HT1 PCA 1 -13.799 7.177 -4.165
8 HA PRO 2 HA PRO 2 -13.301 5.119 -8.032
9 HB2 PRO 2 HB3 PRO 2 -10.782 3.867 -8.745
10 HB3 PRO 2 HB2 PRO 2 -11.411 5.440 -9.253
11 HG2 PRO 2 HG3 PRO 2 -9.251 5.148 -7.615
12 HG3 PRO 2 HG2 PRO 2 -10.325 6.558 -7.573
13 HD2 PRO 2 HD3 PRO 2 -10.287 4.150 -5.783
14 HD3 PRO 2 HD2 PRO 2 -10.483 5.868 -5.358
15 H PHE 3 HN PHE 3 -11.567 2.759 -6.140
16 HA PHE 3 HA PHE 3 -13.390 0.697 -7.140
17 HB2 PHE 3 HB3 PHE 3 -11.723 -0.902 -7.158
18 HB3 PHE 3 HB2 PHE 3 -10.752 0.514 -7.531
19 HD1 PHE 3 HD1 PHE 3 -10.855 -2.347 -5.595
20 HD2 PHE 3 HD2 PHE 3 -9.936 1.797 -5.306
21 HE1 PHE 3 HE1 PHE 3 -9.414 -2.803 -3.654
22 HE2 PHE 3 HE2 PHE 3 -8.494 1.346 -3.366
23 HZ PHE 3 HZ PHE 3 -8.293 -1.005 -2.509
24 H ILE 4 HN ILE 4 -13.848 -0.972 -5.381
25 HA ILE 4 HA ILE 4 -14.413 0.443 -2.937
26 HB ILE 4 HB ILE 4 -16.112 -1.042 -3.863
27 HG12 ILE 4 HG12 ILE 4 -15.773 -0.714 -1.314
28 HG13 ILE 4 HG11 ILE 4 -16.888 -1.954 -1.869
29 HG21 ILE 4 HG21 ILE 4 -14.741 -2.701 -4.938
30 HG22 ILE 4 HG22 ILE 4 -15.863 -3.483 -3.825
31 HG23 ILE 4 HG23 ILE 4 -14.169 -3.287 -3.376
32 HD11 ILE 4 HD11 ILE 4 -15.543 -2.742 -0.012
33 HD12 ILE 4 HD12 ILE 4 -14.067 -2.410 -0.918
34 HD13 ILE 4 HD13 ILE 4 -15.182 -3.657 -1.475
35 HA PRO 5 HA PRO 5 -10.396 -0.609 -1.272
36 HB2 PRO 5 HB3 PRO 5 -11.724 0.452 1.174
37 HB3 PRO 5 HB2 PRO 5 -10.165 0.880 0.464
38 HG2 PRO 5 HG3 PRO 5 -12.236 2.519 0.229
39 HG3 PRO 5 HG2 PRO 5 -11.118 2.273 -1.127
40 HD2 PRO 5 HD3 PRO 5 -13.854 1.158 -0.701
41 HD3 PRO 5 HD2 PRO 5 -13.095 1.740 -2.194
42 H ARG 6 HN ARG 6 -10.244 -2.744 -1.087
43 HA ARG 6 HA ARG 6 -11.977 -4.256 0.685
44 HB2 ARG 6 HB3 ARG 6 -9.755 -5.083 -1.200
45 HB3 ARG 6 HB2 ARG 6 -10.737 -6.208 -0.271
46 HG2 ARG 6 HG3 ARG 6 -12.688 -5.654 -1.477
47 HG3 ARG 6 HG2 ARG 6 -11.924 -4.239 -2.202
48 HD2 ARG 6 HD3 ARG 6 -12.095 -6.066 -3.804
49 HD3 ARG 6 HD2 ARG 6 -10.412 -5.685 -3.452
50 HE ARG 6 HE ARG 6 -10.714 -7.676 -1.791
51 HH11 ARG 6 HH11 ARG 6 -12.081 -7.388 -5.000
52 HH12 ARG 6 HH12 ARG 6 -12.033 -9.090 -5.316
53 HH21 ARG 6 HH21 ARG 6 -10.652 -9.926 -2.195
54 HH22 ARG 6 HH22 ARG 6 -11.224 -10.541 -3.716
55 HA PRO 7 HA PRO 7 -9.281 -4.783 4.208
56 HB2 PRO 7 HB3 PRO 7 -8.886 -7.626 3.369
57 HB3 PRO 7 HB2 PRO 7 -9.285 -6.970 4.962
58 HG2 PRO 7 HG3 PRO 7 -11.173 -8.092 3.473
59 HG3 PRO 7 HG2 PRO 7 -11.515 -6.624 4.406
60 HD2 PRO 7 HD3 PRO 7 -11.087 -6.951 1.479
61 HD3 PRO 7 HD2 PRO 7 -12.140 -5.817 2.346
62 H ILE 8 HN ILE 8 -7.218 -4.386 4.572
63 HA ILE 8 HA ILE 8 -5.327 -4.188 2.528
64 HB ILE 8 HB ILE 8 -4.944 -4.167 5.516
65 HG12 ILE 8 HG12 ILE 8 -4.467 -1.691 4.987
66 HG13 ILE 8 HG11 ILE 8 -5.241 -2.006 3.441
67 HG21 ILE 8 HG21 ILE 8 -2.725 -3.201 5.078
68 HG22 ILE 8 HG22 ILE 8 -2.961 -3.471 3.353
69 HG23 ILE 8 HG23 ILE 8 -2.867 -4.844 4.456
70 HD11 ILE 8 HD11 ILE 8 -7.301 -2.576 4.545
71 HD12 ILE 8 HD12 ILE 8 -6.745 -0.999 5.100
72 HD13 ILE 8 HD13 ILE 8 -6.532 -2.420 6.123
73 H ASP 9 HN ASP 9 -4.729 -5.958 1.448
74 HA ASP 9 HA ASP 9 -3.714 -8.265 2.890
75 HB2 ASP 9 HB3 ASP 9 -3.964 -7.625 -0.052
76 HB3 ASP 9 HB2 ASP 9 -3.074 -9.040 0.522
77 H THR 10 HN THR 10 -1.501 -9.018 2.388
78 HA THR 10 HA THR 10 0.393 -6.929 2.755
79 HB THR 10 HB THR 10 2.082 -8.774 2.586
80 HG1 THR 10 HG2 THR 10 0.237 -10.775 2.788
81 HG21 THR 10 HG21 THR 10 1.144 -8.138 4.733
82 HG22 THR 10 HG22 THR 10 1.357 -9.889 4.668
83 HG23 THR 10 HG23 THR 10 -0.247 -9.186 4.461
84 H CYS 11 HN CYS 11 2.554 -7.383 1.333
85 HA CYS 11 HA CYS 11 2.172 -6.186 -1.149
86 HB2 CYS 11 HB3 CYS 11 4.274 -6.334 0.279
87 HB3 CYS 11 HB2 CYS 11 4.506 -7.938 -0.397
88 H ARG 12 HN ARG 12 1.134 -9.202 -0.435
89 HA ARG 12 HA ARG 12 1.802 -10.662 -2.736
90 HB2 ARG 12 HB3 ARG 12 -0.158 -12.036 -2.266
91 HB3 ARG 12 HB2 ARG 12 0.894 -11.823 -0.885
92 HG2 ARG 12 HG3 ARG 12 -0.674 -10.188 0.035
93 HG3 ARG 12 HG2 ARG 12 -1.746 -10.476 -1.349
94 HD2 ARG 12 HD3 ARG 12 -1.907 -12.805 -0.800
95 HD3 ARG 12 HD2 ARG 12 -0.717 -12.609 0.477
96 HE ARG 12 HE ARG 12 -2.939 -10.938 0.976
97 HH11 ARG 12 HH11 ARG 12 -2.014 -14.314 1.006
98 HH12 ARG 12 HH12 ARG 12 -3.232 -14.770 2.151
99 HH21 ARG 12 HH21 ARG 12 -4.554 -11.538 2.472
100 HH22 ARG 12 HH22 ARG 12 -4.660 -13.190 3.008
101 H LEU 13 HN LEU 13 -0.701 -8.264 -2.102
102 HA LEU 13 HA LEU 13 -1.544 -8.416 -4.905
103 HB2 LEU 13 HB3 LEU 13 -2.629 -7.056 -2.462
104 HB3 LEU 13 HB2 LEU 13 -3.064 -6.459 -4.046
105 HG LEU 13 HG LEU 13 -4.800 -7.915 -3.178
106 HD11 LEU 13 HD11 LEU 13 -5.009 -9.454 -5.039
107 HD12 LEU 13 HD12 LEU 13 -3.302 -9.248 -5.426
108 HD13 LEU 13 HD13 LEU 13 -4.413 -7.889 -5.592
109 HD21 LEU 13 HD21 LEU 13 -2.698 -10.070 -3.106
110 HD22 LEU 13 HD22 LEU 13 -4.418 -10.283 -2.778
111 HD23 LEU 13 HD23 LEU 13 -3.432 -9.293 -1.702
112 H ARG 14 HN ARG 14 0.002 -7.448 -6.145
113 HA ARG 14 HA ARG 14 1.355 -5.131 -4.994
114 HB2 ARG 14 HB3 ARG 14 2.208 -7.590 -6.206
115 HB3 ARG 14 HB2 ARG 14 2.881 -6.212 -7.051
116 HG2 ARG 14 HG3 ARG 14 2.973 -6.423 -4.075
117 HG3 ARG 14 HG2 ARG 14 4.201 -7.187 -5.092
118 HD2 ARG 14 HD3 ARG 14 3.499 -4.291 -5.365
119 HD3 ARG 14 HD2 ARG 14 4.655 -4.839 -4.156
120 HE ARG 14 HE ARG 14 4.992 -4.964 -7.071
121 HH11 ARG 14 HH11 ARG 14 6.294 -5.438 -3.855
122 HH12 ARG 14 HH12 ARG 14 7.943 -5.499 -4.397
123 HH21 ARG 14 HH21 ARG 14 7.160 -5.021 -7.778
124 HH22 ARG 14 HH22 ARG 14 8.436 -5.252 -6.625
125 H ASN 15 HN ASN 15 2.733 -4.203 -7.046
126 HA ASN 15 HA ASN 15 2.741 -2.818 -8.814
127 HB2 ASN 15 HB3 ASN 15 0.457 -4.587 -9.597
128 HB3 ASN 15 HB2 ASN 15 0.753 -3.110 -10.508
129 HD21 ASN 15 HD21 ASN 15 1.897 -6.276 -9.741
130 HD22 ASN 15 HD22 ASN 15 3.164 -6.332 -10.916
131 H GLY 16 HN GLY 16 1.916 -1.698 -6.539
132 HA2 GLY 16 HA3 GLY 16 -0.192 0.102 -7.564
133 HA3 GLY 16 HA2 GLY 16 0.044 -0.230 -5.852
134 H ILE 17 HN ILE 17 2.572 0.166 -5.266
135 HA ILE 17 HA ILE 17 4.136 1.755 -7.050
136 HB ILE 17 HB ILE 17 3.289 3.071 -4.440
137 HG12 ILE 17 HG12 ILE 17 1.873 3.592 -6.430
138 HG13 ILE 17 HG11 ILE 17 2.706 4.997 -5.777
139 HG21 ILE 17 HG21 ILE 17 5.548 3.843 -6.282
140 HG22 ILE 17 HG22 ILE 17 5.713 3.165 -4.663
141 HG23 ILE 17 HG23 ILE 17 4.998 4.763 -4.882
142 HD11 ILE 17 HD11 ILE 17 2.742 5.009 -8.196
143 HD12 ILE 17 HD12 ILE 17 3.527 3.429 -8.210
144 HD13 ILE 17 HD13 ILE 17 4.374 4.830 -7.552
145 H CYS 18 HN CYS 18 6.379 1.469 -6.511
146 HA CYS 18 HA CYS 18 6.876 0.101 -3.949
147 HB2 CYS 18 HB3 CYS 18 7.643 -1.289 -5.755
148 HB3 CYS 18 HB2 CYS 18 8.493 0.055 -6.508
149 H PHE 19 HN PHE 19 7.348 1.613 -2.477
150 HA PHE 19 HA PHE 19 8.753 4.030 -3.305
151 HB2 PHE 19 HB3 PHE 19 7.074 3.281 -0.960
152 HB3 PHE 19 HB2 PHE 19 8.266 4.557 -0.750
153 HD1 PHE 19 HD1 PHE 19 5.006 3.731 -1.897
154 HD2 PHE 19 HD2 PHE 19 8.166 6.536 -2.352
155 HE1 PHE 19 HE1 PHE 19 3.426 5.341 -2.863
156 HE2 PHE 19 HE2 PHE 19 6.592 8.160 -3.318
157 HZ PHE 19 HZ PHE 19 4.216 7.567 -3.570
158 HA PRO 20 HA PRO 20 12.421 2.744 -1.071
159 HB2 PRO 20 HB3 PRO 20 14.048 4.628 -2.106
160 HB3 PRO 20 HB2 PRO 20 13.642 3.156 -2.998
161 HG2 PRO 20 HG3 PRO 20 12.610 5.926 -3.342
162 HG3 PRO 20 HG2 PRO 20 12.912 4.677 -4.562
163 HD2 PRO 20 HD3 PRO 20 10.425 5.333 -3.474
164 HD3 PRO 20 HD2 PRO 20 10.809 3.845 -4.357
165 H GLY 21 HN GLY 21 11.759 3.345 0.942
166 HA2 GLY 21 HA3 GLY 21 12.314 5.242 2.559
167 HA3 GLY 21 HA2 GLY 21 11.324 6.206 1.470
168 H ILE 22 HN ILE 22 9.488 6.628 2.585
169 HA ILE 22 HA ILE 22 8.060 4.306 3.698
170 HB ILE 22 HB ILE 22 7.153 5.842 5.470
171 HG12 ILE 22 HG12 ILE 22 9.498 7.578 4.666
172 HG13 ILE 22 HG11 ILE 22 7.815 7.954 4.315
173 HG21 ILE 22 HG21 ILE 22 8.830 4.160 5.952
174 HG22 ILE 22 HG22 ILE 22 9.112 5.611 6.914
175 HG23 ILE 22 HG23 ILE 22 10.113 5.283 5.500
176 HD11 ILE 22 HD11 ILE 22 8.625 9.192 6.241
177 HD12 ILE 22 HD12 ILE 22 9.018 7.679 7.058
178 HD13 ILE 22 HD13 ILE 22 7.338 8.076 6.697
179 H CYS 23 HN CYS 23 5.849 4.290 3.524
180 HA CYS 23 HA CYS 23 4.636 6.230 1.757
181 HB2 CYS 23 HB3 CYS 23 3.743 3.576 2.878
182 HB3 CYS 23 HB2 CYS 23 2.724 4.597 1.908
183 H ARG 24 HN ARG 24 3.020 7.601 2.405
184 HA ARG 24 HA ARG 24 2.046 7.373 5.142
185 HB2 ARG 24 HB3 ARG 24 2.477 9.956 5.275
186 HB3 ARG 24 HB2 ARG 24 3.751 8.809 5.667
187 HG2 ARG 24 HG3 ARG 24 4.585 9.047 3.323
188 HG3 ARG 24 HG2 ARG 24 3.407 10.343 3.101
189 HD2 ARG 24 HD3 ARG 24 4.444 11.680 4.771
190 HD3 ARG 24 HD2 ARG 24 5.467 10.342 5.290
191 HE ARG 24 HE ARG 24 5.795 11.211 2.537
192 HH11 ARG 24 HH11 ARG 24 6.913 11.404 5.844
193 HH12 ARG 24 HH12 ARG 24 8.495 11.965 5.411
194 HH21 ARG 24 HH21 ARG 24 7.883 11.939 1.960
195 HH22 ARG 24 HH22 ARG 24 9.045 12.284 3.201
196 H ARG 25 HN ARG 25 1.773 9.119 2.028
197 HA ARG 25 HA ARG 25 -0.881 8.453 1.699
198 HB2 ARG 25 HB3 ARG 25 -0.591 10.822 3.371
199 HB3 ARG 25 HB2 ARG 25 -1.560 11.120 1.933
200 HG2 ARG 25 HG3 ARG 25 -2.954 9.161 2.518
201 HG3 ARG 25 HG2 ARG 25 -2.028 8.989 4.007
202 HD2 ARG 25 HD3 ARG 25 -2.716 11.291 4.625
203 HD3 ARG 25 HD2 ARG 25 -3.748 11.321 3.195
204 HE ARG 25 HE ARG 25 -4.100 9.221 5.219
205 HH11 ARG 25 HH11 ARG 25 -5.352 12.013 3.510
206 HH12 ARG 25 HH12 ARG 25 -6.979 11.770 4.055
207 HH21 ARG 25 HH21 ARG 25 -6.244 8.908 5.938
208 HH22 ARG 25 HH22 ARG 25 -7.489 10.002 5.421
209 HA PRO 26 HA PRO 26 -2.407 8.635 0.642
210 HB2 PRO 26 HB3 PRO 26 -3.268 8.344 -2.082
211 HB3 PRO 26 HB2 PRO 26 -4.024 9.310 -0.811
212 HG2 PRO 26 HG3 PRO 26 -2.842 10.380 -3.040
213 HG3 PRO 26 HG2 PRO 26 -2.981 11.232 -1.488
214 HD2 PRO 26 HD3 PRO 26 -0.634 9.734 -2.619
215 HD3 PRO 26 HD2 PRO 26 -0.672 11.314 -1.797
216 H TYR 27 HN TYR 27 -1.257 6.785 1.131
217 HA TYR 27 HA TYR 27 -1.122 4.692 -0.819
218 HB2 TYR 27 HB3 TYR 27 1.474 5.756 0.328
219 HB3 TYR 27 HB2 TYR 27 1.314 4.275 -0.600
220 HD1 TYR 27 HD1 TYR 27 0.702 4.403 -3.014
221 HD2 TYR 27 HD2 TYR 27 1.665 7.870 -0.742
222 HE1 TYR 27 HE1 TYR 27 1.147 5.630 -5.092
223 HE2 TYR 27 HE2 TYR 27 2.111 9.105 -2.822
224 HH TYR 27 HH TYR 27 2.814 8.451 -5.237
225 H TYR 28 HN TYR 28 -1.159 2.768 0.176
226 HA TYR 28 HA TYR 28 -0.871 2.818 3.092
227 HB2 TYR 28 HB3 TYR 28 -2.461 0.908 3.151
228 HB3 TYR 28 HB2 TYR 28 -3.173 2.382 2.516
229 HD1 TYR 28 HD1 TYR 28 -2.353 -1.067 1.870
230 HD2 TYR 28 HD2 TYR 28 -3.609 2.572 0.033
231 HE1 TYR 28 HE1 TYR 28 -3.133 -2.324 -0.089
232 HE2 TYR 28 HE2 TYR 28 -4.388 1.311 -1.925
233 HH TYR 28 HH TYR 28 -4.084 -0.789 -3.021
234 H TRP 29 HN TRP 29 0.601 1.565 3.968
235 HA TRP 29 HA TRP 29 2.496 0.296 2.256
236 HB2 TRP 29 HB3 TRP 29 3.202 1.522 4.244
237 HB3 TRP 29 HB2 TRP 29 2.307 0.421 5.271
238 HD1 TRP 29 HD1 TRP 29 5.540 0.663 3.243
239 HE1 TRP 29 HE1 TRP 29 7.098 -1.247 3.951
240 HE3 TRP 29 HE3 TRP 29 2.318 -1.931 6.218
241 HZ2 TRP 29 HZ2 TRP 29 6.980 -3.559 5.563
242 HZ3 TRP 29 HZ3 TRP 29 3.113 -3.992 7.308
243 HH2 TRP 29 HH2 TRP 29 5.398 -4.788 6.978
244 H ILE 30 HN ILE 30 2.304 -1.661 1.459
245 HA ILE 30 HA ILE 30 1.105 -3.756 3.135
246 HB ILE 30 HB ILE 30 0.437 -4.897 1.008
247 HG12 ILE 30 HG12 ILE 30 1.038 -2.206 -0.258
248 HG13 ILE 30 HG11 ILE 30 1.985 -3.666 -0.516
249 HG21 ILE 30 HG21 ILE 30 -0.743 -2.163 1.459
250 HG22 ILE 30 HG22 ILE 30 -1.138 -3.620 2.371
251 HG23 ILE 30 HG23 ILE 30 -1.536 -3.518 0.655
252 HD11 ILE 30 HD11 ILE 30 -0.881 -3.214 -1.297
253 HD12 ILE 30 HD12 ILE 30 -0.008 -4.737 -1.487
254 HD13 ILE 30 HD13 ILE 30 0.516 -3.304 -2.375
255 H GLY 31 HN GLY 31 2.988 -4.542 3.978
256 HA2 GLY 31 HA3 GLY 31 4.918 -5.780 4.079
257 HA3 GLY 31 HA2 GLY 31 4.552 -6.334 2.459
258 H THR 32 HN THR 32 7.001 -6.249 2.366
259 HA THR 32 HA THR 32 7.974 -3.491 2.082
260 HB THR 32 HB THR 32 10.264 -4.526 2.389
261 HG1 THR 32 HG2 THR 32 9.582 -6.632 3.807
262 HG21 THR 32 HG21 THR 32 8.337 -4.830 4.692
263 HG22 THR 32 HG22 THR 32 9.034 -3.301 4.160
264 HG23 THR 32 HG23 THR 32 10.078 -4.571 4.799
265 H CYS 33 HN CYS 33 9.236 -2.869 0.411
266 HA CYS 33 HA CYS 33 9.520 -4.697 -1.879
267 HB2 CYS 33 HB3 CYS 33 7.980 -2.684 -2.179
268 HB3 CYS 33 HB2 CYS 33 9.402 -1.670 -1.983
269 H ASN 34 HN ASN 34 11.464 -3.467 -3.321
270 HA ASN 34 HA ASN 34 13.693 -3.100 -3.459
271 HB2 ASN 34 HB3 ASN 34 13.136 -1.809 -0.800
272 HB3 ASN 34 HB2 ASN 34 14.766 -1.873 -1.441
273 HD21 ASN 34 HD21 ASN 34 13.022 0.415 -0.902
274 HD22 ASN 34 HD22 ASN 34 12.898 1.266 -2.392
275 H ASN 35 HN ASN 35 14.169 -3.477 -0.012
276 HA ASN 35 HA ASN 35 14.598 -6.247 0.101
277 HB2 ASN 35 HB3 ASN 35 16.413 -5.787 -1.516
278 HB3 ASN 35 HB2 ASN 35 17.133 -4.655 -0.376
279 HD21 ASN 35 HD21 ASN 35 19.035 -5.767 -0.201
280 HD22 ASN 35 HD22 ASN 35 19.168 -7.294 0.602
281 H GLY 36 HN GLY 36 13.554 -5.721 2.090
282 HA2 GLY 36 HA3 GLY 36 13.945 -5.871 4.430
283 HA3 GLY 36 HA2 GLY 36 15.486 -5.048 4.198
284 H ILE 37 HN ILE 37 15.167 -2.831 3.132
285 HA ILE 37 HA ILE 37 13.176 -1.261 4.491
286 HB ILE 37 HB ILE 37 14.096 0.359 2.494
287 HG12 ILE 37 HG12 ILE 37 16.607 0.025 2.508
288 HG13 ILE 37 HG11 ILE 37 16.306 -1.589 3.138
289 HG21 ILE 37 HG21 ILE 37 13.996 0.953 4.823
290 HG22 ILE 37 HG22 ILE 37 15.606 1.306 4.197
291 HG23 ILE 37 HG23 ILE 37 15.339 -0.126 5.189
292 HD11 ILE 37 HD11 ILE 37 15.337 -0.511 0.501
293 HD12 ILE 37 HD12 ILE 37 15.036 -2.132 1.127
294 HD13 ILE 37 HD13 ILE 37 16.680 -1.627 0.743
295 H GLY 38 HN GLY 38 12.597 0.403 2.042
296 HA2 GLY 38 HA3 GLY 38 11.372 0.362 0.102
297 HA3 GLY 38 HA2 GLY 38 11.505 -1.389 0.099
298 H SER 39 HN SER 39 9.499 1.202 0.497
299 HA SER 39 HA SER 39 7.540 -0.248 2.072
300 HB2 SER 39 HB3 SER 39 7.702 2.532 0.937
301 HB3 SER 39 HB2 SER 39 6.210 1.911 1.655
302 HG SER 39 HG SER 39 8.598 2.677 2.843
303 H CYS 40 HN CYS 40 6.805 -1.906 0.851
304 HA CYS 40 HA CYS 40 5.929 -1.560 -1.870
305 HB2 CYS 40 HB3 CYS 40 6.647 -3.786 -1.128
306 HB3 CYS 40 HB2 CYS 40 5.431 -3.784 0.141
307 H CYS 41 HN CYS 41 4.312 -0.105 -2.091
308 HA CYS 41 HA CYS 41 1.955 -0.506 -0.387
309 HB2 CYS 41 HB3 CYS 41 2.941 2.157 -1.407
310 HB3 CYS 41 HB2 CYS 41 1.645 1.865 -0.250
311 H ALA 42 HN ALA 42 0.041 0.763 -1.425
312 HA ALA 42 HA ALA 42 0.248 0.722 -4.336
313 HB1 ALA 42 HB1 ALA 42 -1.959 -0.308 -4.524
314 HB2 ALA 42 HB2 ALA 42 -2.057 -0.431 -2.768
315 HB3 ALA 42 HB3 ALA 42 -0.843 -1.362 -3.654
316 H ARG 43 HN ARG 43 -0.851 2.285 -5.409
317 HA ARG 43 HA ARG 43 -1.111 4.694 -4.002
318 HB2 ARG 43 HB3 ARG 43 -0.521 4.541 -6.400
319 HB3 ARG 43 HB2 ARG 43 -2.174 4.056 -6.754
320 HG2 ARG 43 HG3 ARG 43 -2.927 6.220 -5.738
321 HG3 ARG 43 HG2 ARG 43 -1.228 6.695 -5.674
322 HD2 ARG 43 HD3 ARG 43 -1.064 6.404 -8.098
323 HD3 ARG 43 HD2 ARG 43 -2.764 5.939 -8.147
324 HE ARG 43 HE ARG 43 -2.442 8.472 -6.913
325 HH11 ARG 43 HH11 ARG 43 -2.414 6.921 -10.052
326 HH12 ARG 43 HH12 ARG 43 -2.933 8.343 -10.897
327 HH21 ARG 43 HH21 ARG 43 -3.110 10.347 -8.026
328 HH22 ARG 43 HH22 ARG 43 -3.330 10.293 -9.744
329 H GLY 44 HN GLY 44 -2.613 5.145 -2.615
330 HA2 GLY 44 HA3 GLY 44 -5.024 5.975 -2.775
331 HA3 GLY 44 HA2 GLY 44 -5.375 4.302 -3.153
332 H TRP 45 HN TRP 45 -6.742 4.148 -1.366
333 HA TRP 45 HA TRP 45 -5.275 3.596 1.078
334 HB2 TRP 45 HB3 TRP 45 -6.269 5.998 1.073
335 HB3 TRP 45 HB2 TRP 45 -7.816 5.179 1.291
336 HD1 TRP 45 HD1 TRP 45 -8.428 4.537 3.731
337 HE1 TRP 45 HE1 TRP 45 -7.145 4.470 5.964
338 HE3 TRP 45 HE3 TRP 45 -3.751 5.552 1.977
339 HZ2 TRP 45 HZ2 TRP 45 -4.482 4.812 6.855
340 HZ3 TRP 45 HZ3 TRP 45 -1.884 5.663 3.584
341 HH2 TRP 45 HH2 TRP 45 -2.246 5.299 5.971
342 H ARG 46 HN ARG 46 -5.781 1.615 1.593
343 HA ARG 46 HA ARG 46 -8.322 0.469 0.836
344 HB2 ARG 46 HB3 ARG 46 -5.674 -0.455 1.321
345 HB3 ARG 46 HB2 ARG 46 -6.758 -1.274 2.437
346 HG2 ARG 46 HG3 ARG 46 -8.098 -2.099 0.641
347 HG3 ARG 46 HG2 ARG 46 -7.182 -1.149 -0.535
348 HD2 ARG 46 HD3 ARG 46 -5.301 -2.495 -0.333
349 HD3 ARG 46 HD2 ARG 46 -5.809 -3.118 1.234
350 HE ARG 46 HE ARG 46 -7.424 -4.472 0.112
351 HH11 ARG 46 HH11 ARG 46 -5.098 -2.933 -2.024
352 HH12 ARG 46 HH12 ARG 46 -5.253 -4.148 -3.257
353 HH21 ARG 46 HH21 ARG 46 -7.602 -6.075 -1.524
354 HH22 ARG 46 HH22 ARG 46 -6.665 -5.914 -2.977
355 H SER 47 HN SER 47 -10.001 0.306 2.170
356 HA SER 47 HA SER 47 -11.333 0.441 3.984
357 HB2 SER 47 HB3 SER 47 -8.862 -0.401 5.519
358 HB3 SER 47 HB2 SER 47 -10.533 -0.533 6.071
359 HG SER 47 HG SER 47 -10.918 -2.034 4.442
Start of MODEL 6
1 H PCA 1 HT2 PCA 1 -12.512 7.253 -1.385
2 HA PCA 1 HA PCA 1 -11.966 5.194 -1.506
3 HB2 PCA 1 HB2 PCA 1 -13.456 3.678 -0.730
4 HB3 PCA 1 HB3 PCA 1 -14.501 3.900 -2.141
5 HG2 PCA 1 HG2 PCA 1 -14.706 5.139 0.502
6 HG3 PCA 1 HG3 PCA 1 -15.877 5.175 -0.847
7 HT1 PCA 1 HT1 PCA 1 -13.556 7.159 -2.661
8 HA PRO 2 HA PRO 2 -11.868 5.275 -6.020
9 HB2 PRO 2 HB3 PRO 2 -9.351 3.898 -5.906
10 HB3 PRO 2 HB2 PRO 2 -9.639 5.602 -6.272
11 HG2 PRO 2 HG3 PRO 2 -8.357 4.676 -4.011
12 HG3 PRO 2 HG2 PRO 2 -9.144 6.257 -4.147
13 HD2 PRO 2 HD3 PRO 2 -10.145 3.736 -2.890
14 HD3 PRO 2 HD2 PRO 2 -10.338 5.423 -2.355
15 H PHE 3 HN PHE 3 -11.801 2.767 -3.803
16 HA PHE 3 HA PHE 3 -12.852 0.873 -5.710
17 HB2 PHE 3 HB3 PHE 3 -11.295 -0.838 -5.314
18 HB3 PHE 3 HB2 PHE 3 -10.258 0.584 -5.372
19 HD1 PHE 3 HD1 PHE 3 -11.060 -2.296 -3.550
20 HD2 PHE 3 HD2 PHE 3 -9.884 1.762 -3.060
21 HE1 PHE 3 HE1 PHE 3 -10.151 -2.832 -1.331
22 HE2 PHE 3 HE2 PHE 3 -8.978 1.234 -0.840
23 HZ PHE 3 HZ PHE 3 -9.305 -1.057 0.095
24 H ILE 4 HN ILE 4 -13.817 -1.020 -4.408
25 HA ILE 4 HA ILE 4 -15.122 0.094 -2.094
26 HB ILE 4 HB ILE 4 -16.498 -1.175 -3.601
27 HG12 ILE 4 HG12 ILE 4 -17.439 -2.891 -2.030
28 HG13 ILE 4 HG11 ILE 4 -16.067 -2.590 -0.970
29 HG21 ILE 4 HG21 ILE 4 -16.202 -3.623 -3.883
30 HG22 ILE 4 HG22 ILE 4 -14.639 -3.482 -3.078
31 HG23 ILE 4 HG23 ILE 4 -14.922 -2.657 -4.610
32 HD11 ILE 4 HD11 ILE 4 -16.763 -0.266 -0.732
33 HD12 ILE 4 HD12 ILE 4 -18.033 -1.380 -0.234
34 HD13 ILE 4 HD13 ILE 4 -18.134 -0.569 -1.797
35 HA PRO 5 HA PRO 5 -11.849 -1.009 0.796
36 HB2 PRO 5 HB3 PRO 5 -13.933 -1.215 2.788
37 HB3 PRO 5 HB2 PRO 5 -12.681 0.014 2.617
38 HG2 PRO 5 HG3 PRO 5 -15.479 0.049 1.705
39 HG3 PRO 5 HG2 PRO 5 -14.381 1.404 2.018
40 HD2 PRO 5 HD3 PRO 5 -15.100 0.759 -0.467
41 HD3 PRO 5 HD2 PRO 5 -13.447 1.296 -0.105
42 H ARG 6 HN ARG 6 -11.126 -2.973 0.473
43 HA ARG 6 HA ARG 6 -12.709 -5.306 1.255
44 HB2 ARG 6 HB3 ARG 6 -10.249 -4.872 -0.393
45 HB3 ARG 6 HB2 ARG 6 -10.509 -6.435 0.354
46 HG2 ARG 6 HG3 ARG 6 -12.689 -6.573 -0.818
47 HG3 ARG 6 HG2 ARG 6 -12.286 -5.067 -1.648
48 HD2 ARG 6 HD3 ARG 6 -11.753 -7.070 -2.994
49 HD3 ARG 6 HD2 ARG 6 -10.336 -6.086 -2.645
50 HE ARG 6 HE ARG 6 -10.947 -8.731 -1.548
51 HH11 ARG 6 HH11 ARG 6 -8.768 -6.005 -1.777
52 HH12 ARG 6 HH12 ARG 6 -7.453 -6.820 -0.977
53 HH21 ARG 6 HH21 ARG 6 -9.191 -9.822 -0.535
54 HH22 ARG 6 HH22 ARG 6 -7.685 -8.983 -0.292
55 HA PRO 7 HA PRO 7 -10.163 -6.224 4.912
56 HB2 PRO 7 HB3 PRO 7 -9.202 -8.641 3.446
57 HB3 PRO 7 HB2 PRO 7 -9.851 -8.505 5.085
58 HG2 PRO 7 HG3 PRO 7 -11.347 -9.510 3.141
59 HG3 PRO 7 HG2 PRO 7 -12.055 -8.415 4.342
60 HD2 PRO 7 HD3 PRO 7 -11.266 -7.869 1.514
61 HD3 PRO 7 HD2 PRO 7 -12.656 -7.259 2.436
62 H ILE 8 HN ILE 8 -8.127 -5.758 5.527
63 HA ILE 8 HA ILE 8 -6.339 -4.571 3.729
64 HB ILE 8 HB ILE 8 -5.987 -5.498 6.574
65 HG12 ILE 8 HG12 ILE 8 -5.840 -2.982 6.939
66 HG13 ILE 8 HG11 ILE 8 -6.385 -2.800 5.279
67 HG21 ILE 8 HG21 ILE 8 -3.804 -5.603 5.531
68 HG22 ILE 8 HG22 ILE 8 -3.882 -4.227 6.632
69 HG23 ILE 8 HG23 ILE 8 -4.005 -3.973 4.891
70 HD11 ILE 8 HD11 ILE 8 -8.214 -2.545 6.851
71 HD12 ILE 8 HD12 ILE 8 -7.905 -4.159 7.490
72 HD13 ILE 8 HD13 ILE 8 -8.455 -3.959 5.826
73 H ASP 9 HN ASP 9 -4.750 -5.361 2.498
74 HA ASP 9 HA ASP 9 -4.063 -8.208 2.788
75 HB2 ASP 9 HB3 ASP 9 -3.744 -6.493 0.313
76 HB3 ASP 9 HB2 ASP 9 -3.473 -8.230 0.429
77 H THR 10 HN THR 10 -1.864 -8.774 2.189
78 HA THR 10 HA THR 10 0.097 -6.810 3.032
79 HB THR 10 HB THR 10 1.719 -8.675 2.842
80 HG1 THR 10 HG2 THR 10 1.184 -10.452 1.830
81 HG21 THR 10 HG21 THR 10 0.568 -8.308 4.951
82 HG22 THR 10 HG22 THR 10 0.812 -10.034 4.682
83 HG23 THR 10 HG23 THR 10 -0.776 -9.314 4.412
84 H CYS 11 HN CYS 11 2.280 -7.238 1.567
85 HA CYS 11 HA CYS 11 1.945 -5.841 -0.809
86 HB2 CYS 11 HB3 CYS 11 4.069 -6.145 0.486
87 HB3 CYS 11 HB2 CYS 11 4.182 -7.771 -0.165
88 H ARG 12 HN ARG 12 0.888 -8.934 -0.265
89 HA ARG 12 HA ARG 12 1.390 -10.390 -2.533
90 HB2 ARG 12 HB3 ARG 12 -0.858 -11.410 -2.178
91 HB3 ARG 12 HB2 ARG 12 0.207 -11.420 -0.785
92 HG2 ARG 12 HG3 ARG 12 -1.054 -9.257 -0.131
93 HG3 ARG 12 HG2 ARG 12 -2.279 -9.857 -1.257
94 HD2 ARG 12 HD3 ARG 12 -1.088 -11.456 0.974
95 HD3 ARG 12 HD2 ARG 12 -2.616 -10.581 1.107
96 HE ARG 12 HE ARG 12 -3.155 -12.088 -0.977
97 HH11 ARG 12 HH11 ARG 12 -1.437 -12.979 1.941
98 HH12 ARG 12 HH12 ARG 12 -1.936 -14.638 1.879
99 HH21 ARG 12 HH21 ARG 12 -3.812 -14.275 -1.062
100 HH22 ARG 12 HH22 ARG 12 -3.293 -15.375 0.173
101 H LEU 13 HN LEU 13 -1.069 -7.837 -2.114
102 HA LEU 13 HA LEU 13 -1.627 -7.893 -4.974
103 HB2 LEU 13 HB3 LEU 13 -2.647 -6.248 -2.671
104 HB3 LEU 13 HB2 LEU 13 -2.918 -5.728 -4.321
105 HG LEU 13 HG LEU 13 -4.099 -7.884 -4.751
106 HD11 LEU 13 HD11 LEU 13 -4.852 -9.190 -2.814
107 HD12 LEU 13 HD12 LEU 13 -3.790 -8.234 -1.778
108 HD13 LEU 13 HD13 LEU 13 -3.104 -9.258 -3.040
109 HD21 LEU 13 HD21 LEU 13 -5.199 -6.189 -2.515
110 HD22 LEU 13 HD22 LEU 13 -6.136 -7.263 -3.554
111 HD23 LEU 13 HD23 LEU 13 -5.332 -5.851 -4.240
112 H ARG 14 HN ARG 14 0.133 -7.229 -6.092
113 HA ARG 14 HA ARG 14 1.866 -5.278 -4.832
114 HB2 ARG 14 HB3 ARG 14 2.695 -7.536 -5.391
115 HB3 ARG 14 HB2 ARG 14 2.343 -7.227 -7.086
116 HG2 ARG 14 HG3 ARG 14 4.601 -6.829 -6.891
117 HG3 ARG 14 HG2 ARG 14 3.857 -5.230 -6.850
118 HD2 ARG 14 HD3 ARG 14 4.070 -5.116 -4.466
119 HD3 ARG 14 HD2 ARG 14 4.647 -6.780 -4.397
120 HE ARG 14 HE ARG 14 6.164 -4.605 -5.697
121 HH11 ARG 14 HH11 ARG 14 6.005 -7.465 -3.681
122 HH12 ARG 14 HH12 ARG 14 7.717 -7.543 -3.432
123 HH21 ARG 14 HH21 ARG 14 8.425 -4.709 -5.369
124 HH22 ARG 14 HH22 ARG 14 9.094 -5.978 -4.397
125 H ASN 15 HN ASN 15 3.114 -3.884 -6.332
126 HA ASN 15 HA ASN 15 3.495 -2.540 -8.102
127 HB2 ASN 15 HB3 ASN 15 2.821 -4.624 -9.426
128 HB3 ASN 15 HB2 ASN 15 1.245 -3.867 -9.584
129 HD21 ASN 15 HD21 ASN 15 3.166 -4.582 -11.624
130 HD22 ASN 15 HD22 ASN 15 3.539 -3.130 -12.478
131 H GLY 16 HN GLY 16 2.215 -1.426 -6.124
132 HA2 GLY 16 HA3 GLY 16 0.184 0.184 -7.537
133 HA3 GLY 16 HA2 GLY 16 0.215 -0.034 -5.791
134 H ILE 17 HN ILE 17 2.623 0.564 -4.915
135 HA ILE 17 HA ILE 17 4.370 1.818 -6.727
136 HB ILE 17 HB ILE 17 2.993 3.694 -4.839
137 HG12 ILE 17 HG12 ILE 17 4.140 3.835 -7.635
138 HG13 ILE 17 HG11 ILE 17 2.451 3.942 -7.155
139 HG21 ILE 17 HG21 ILE 17 5.888 3.953 -5.642
140 HG22 ILE 17 HG22 ILE 17 5.288 3.660 -4.011
141 HG23 ILE 17 HG23 ILE 17 4.933 5.187 -4.822
142 HD11 ILE 17 HD11 ILE 17 2.930 6.104 -6.078
143 HD12 ILE 17 HD12 ILE 17 3.261 6.105 -7.810
144 HD13 ILE 17 HD13 ILE 17 4.591 5.995 -6.657
145 H CYS 18 HN CYS 18 6.421 1.328 -6.097
146 HA CYS 18 HA CYS 18 6.824 0.518 -3.308
147 HB2 CYS 18 HB3 CYS 18 8.368 0.096 -5.841
148 HB3 CYS 18 HB2 CYS 18 9.199 -0.013 -4.294
149 H PHE 19 HN PHE 19 7.329 2.110 -1.946
150 HA PHE 19 HA PHE 19 8.890 4.386 -2.916
151 HB2 PHE 19 HB3 PHE 19 7.278 3.872 -0.434
152 HB3 PHE 19 HB2 PHE 19 8.458 5.167 -0.469
153 HD1 PHE 19 HD1 PHE 19 5.167 4.101 -1.385
154 HD2 PHE 19 HD2 PHE 19 8.168 7.023 -2.114
155 HE1 PHE 19 HE1 PHE 19 3.477 5.582 -2.393
156 HE2 PHE 19 HE2 PHE 19 6.489 8.513 -3.117
157 HZ PHE 19 HZ PHE 19 4.137 7.796 -3.253
158 HA PRO 20 HA PRO 20 12.374 2.729 -0.593
159 HB2 PRO 20 HB3 PRO 20 14.215 4.470 -1.522
160 HB3 PRO 20 HB2 PRO 20 13.704 3.062 -2.461
161 HG2 PRO 20 HG3 PRO 20 12.948 5.927 -2.770
162 HG3 PRO 20 HG2 PRO 20 13.185 4.686 -4.011
163 HD2 PRO 20 HD3 PRO 20 10.724 5.538 -3.026
164 HD3 PRO 20 HD2 PRO 20 11.011 4.020 -3.898
165 H GLY 21 HN GLY 21 11.691 3.342 1.420
166 HA2 GLY 21 HA3 GLY 21 12.370 5.154 3.107
167 HA3 GLY 21 HA2 GLY 21 11.503 6.224 2.010
168 H ILE 22 HN ILE 22 9.411 6.579 2.468
169 HA ILE 22 HA ILE 22 7.842 4.456 3.731
170 HB ILE 22 HB ILE 22 6.814 6.112 5.302
171 HG12 ILE 22 HG12 ILE 22 9.233 7.786 4.597
172 HG13 ILE 22 HG11 ILE 22 7.575 8.155 4.134
173 HG21 ILE 22 HG21 ILE 22 9.737 5.496 5.666
174 HG22 ILE 22 HG22 ILE 22 8.374 4.478 6.126
175 HG23 ILE 22 HG23 ILE 22 8.645 6.013 6.950
176 HD11 ILE 22 HD11 ILE 22 8.268 9.479 6.044
177 HD12 ILE 22 HD12 ILE 22 8.635 8.008 6.947
178 HD13 ILE 22 HD13 ILE 22 6.970 8.371 6.491
179 H CYS 23 HN CYS 23 5.588 4.692 3.530
180 HA CYS 23 HA CYS 23 4.659 6.606 1.487
181 HB2 CYS 23 HB3 CYS 23 3.081 4.264 2.539
182 HB3 CYS 23 HB2 CYS 23 2.882 5.095 1.023
183 H ARG 24 HN ARG 24 3.271 8.242 2.166
184 HA ARG 24 HA ARG 24 2.049 7.793 4.811
185 HB2 ARG 24 HB3 ARG 24 1.984 10.307 4.999
186 HB3 ARG 24 HB2 ARG 24 3.584 9.583 5.051
187 HG2 ARG 24 HG3 ARG 24 3.914 10.166 2.690
188 HG3 ARG 24 HG2 ARG 24 2.323 10.930 2.672
189 HD2 ARG 24 HD3 ARG 24 4.658 11.731 4.406
190 HD3 ARG 24 HD2 ARG 24 4.102 12.580 2.965
191 HE ARG 24 HE ARG 24 2.092 12.259 5.015
192 HH11 ARG 24 HH11 ARG 24 4.682 14.270 3.796
193 HH12 ARG 24 HH12 ARG 24 4.078 15.715 4.539
194 HH21 ARG 24 HH21 ARG 24 1.286 14.155 5.987
195 HH22 ARG 24 HH22 ARG 24 2.136 15.653 5.779
196 H ARG 25 HN ARG 25 1.532 9.356 1.638
197 HA ARG 25 HA ARG 25 -0.772 7.998 1.143
198 HB2 ARG 25 HB3 ARG 25 -2.546 9.768 1.336
199 HB3 ARG 25 HB2 ARG 25 -1.986 9.111 2.863
200 HG2 ARG 25 HG3 ARG 25 -0.483 11.458 2.134
201 HG3 ARG 25 HG2 ARG 25 -2.219 11.783 2.162
202 HD2 ARG 25 HD3 ARG 25 -0.551 10.587 4.361
203 HD3 ARG 25 HD2 ARG 25 -1.321 12.176 4.360
204 HE ARG 25 HE ARG 25 -3.152 9.965 4.021
205 HH11 ARG 25 HH11 ARG 25 -1.481 11.974 6.361
206 HH12 ARG 25 HH12 ARG 25 -2.650 11.708 7.614
207 HH21 ARG 25 HH21 ARG 25 -4.680 9.596 5.680
208 HH22 ARG 25 HH22 ARG 25 -4.468 10.349 7.227
209 HA PRO 26 HA PRO 26 -2.643 8.332 0.106
210 HB2 PRO 26 HB3 PRO 26 -3.434 7.960 -2.622
211 HB3 PRO 26 HB2 PRO 26 -4.237 8.947 -1.397
212 HG2 PRO 26 HG3 PRO 26 -3.006 9.951 -3.646
213 HG3 PRO 26 HG2 PRO 26 -3.264 10.872 -2.150
214 HD2 PRO 26 HD3 PRO 26 -0.794 9.473 -3.114
215 HD3 PRO 26 HD2 PRO 26 -0.956 11.051 -2.308
216 H TYR 27 HN TYR 27 -1.458 6.566 0.671
217 HA TYR 27 HA TYR 27 -1.200 4.400 -1.171
218 HB2 TYR 27 HB3 TYR 27 1.353 5.491 0.035
219 HB3 TYR 27 HB2 TYR 27 1.208 4.078 -0.995
220 HD1 TYR 27 HD1 TYR 27 0.792 4.348 -3.411
221 HD2 TYR 27 HD2 TYR 27 1.436 7.696 -0.872
222 HE1 TYR 27 HE1 TYR 27 1.164 5.772 -5.379
223 HE2 TYR 27 HE2 TYR 27 1.811 9.124 -2.832
224 HH TYR 27 HH TYR 27 2.436 8.955 -5.133
225 H TYR 28 HN TYR 28 -1.353 2.566 -0.019
226 HA TYR 28 HA TYR 28 -1.021 2.835 2.879
227 HB2 TYR 28 HB3 TYR 28 -2.492 0.806 3.040
228 HB3 TYR 28 HB2 TYR 28 -3.283 2.249 2.424
229 HD1 TYR 28 HD1 TYR 28 -2.542 -1.197 1.837
230 HD2 TYR 28 HD2 TYR 28 -3.613 2.427 -0.121
231 HE1 TYR 28 HE1 TYR 28 -3.343 -2.481 -0.097
232 HE2 TYR 28 HE2 TYR 28 -4.412 1.148 -2.061
233 HH TYR 28 HH TYR 28 -4.011 -1.107 -3.087
234 H TRP 29 HN TRP 29 0.522 1.805 3.824
235 HA TRP 29 HA TRP 29 2.483 0.354 2.455
236 HB2 TRP 29 HB3 TRP 29 2.898 1.600 4.544
237 HB3 TRP 29 HB2 TRP 29 1.908 0.455 5.427
238 HD1 TRP 29 HD1 TRP 29 5.371 0.838 3.871
239 HE1 TRP 29 HE1 TRP 29 6.864 -1.077 4.698
240 HE3 TRP 29 HE3 TRP 29 1.835 -1.960 6.237
241 HZ2 TRP 29 HZ2 TRP 29 6.580 -3.478 6.155
242 HZ3 TRP 29 HZ3 TRP 29 2.518 -4.064 7.322
243 HH2 TRP 29 HH2 TRP 29 4.846 -4.805 7.275
244 H ILE 30 HN ILE 30 2.249 -1.553 1.608
245 HA ILE 30 HA ILE 30 1.012 -3.686 3.211
246 HB ILE 30 HB ILE 30 0.575 -4.836 0.996
247 HG12 ILE 30 HG12 ILE 30 0.971 -2.057 -0.149
248 HG13 ILE 30 HG11 ILE 30 2.124 -3.371 -0.343
249 HG21 ILE 30 HG21 ILE 30 -1.179 -3.738 2.317
250 HG22 ILE 30 HG22 ILE 30 -1.490 -3.638 0.584
251 HG23 ILE 30 HG23 ILE 30 -0.868 -2.233 1.449
252 HD11 ILE 30 HD11 ILE 30 0.827 -3.199 -2.321
253 HD12 ILE 30 HD12 ILE 30 -0.681 -3.227 -1.401
254 HD13 ILE 30 HD13 ILE 30 0.335 -4.669 -1.477
255 H GLY 31 HN GLY 31 2.901 -4.432 4.141
256 HA2 GLY 31 HA3 GLY 31 4.851 -5.640 4.297
257 HA3 GLY 31 HA2 GLY 31 4.541 -6.181 2.660
258 H THR 32 HN THR 32 6.882 -6.096 2.358
259 HA THR 32 HA THR 32 7.906 -3.345 2.150
260 HB THR 32 HB THR 32 10.194 -4.412 2.443
261 HG1 THR 32 HG2 THR 32 9.143 -6.476 3.910
262 HG21 THR 32 HG21 THR 32 9.076 -3.089 4.178
263 HG22 THR 32 HG22 THR 32 10.006 -4.413 4.876
264 HG23 THR 32 HG23 THR 32 8.252 -4.538 4.751
265 H CYS 33 HN CYS 33 9.893 -3.233 0.719
266 HA CYS 33 HA CYS 33 9.643 -4.772 -1.750
267 HB2 CYS 33 HB3 CYS 33 8.088 -2.765 -1.865
268 HB3 CYS 33 HB2 CYS 33 9.516 -1.743 -1.751
269 H ASN 34 HN ASN 34 11.390 -3.457 -3.338
270 HA ASN 34 HA ASN 34 13.580 -3.055 -3.757
271 HB2 ASN 34 HB3 ASN 34 13.747 -2.268 -0.836
272 HB3 ASN 34 HB2 ASN 34 15.021 -2.020 -2.010
273 HD21 ASN 34 HD21 ASN 34 13.892 -0.079 -0.425
274 HD22 ASN 34 HD22 ASN 34 13.035 1.033 -1.406
275 H ASN 35 HN ASN 35 14.132 -4.022 -0.418
276 HA ASN 35 HA ASN 35 14.508 -6.711 -0.547
277 HB2 ASN 35 HB3 ASN 35 16.184 -6.227 -2.368
278 HB3 ASN 35 HB2 ASN 35 17.150 -5.370 -1.180
279 HD21 ASN 35 HD21 ASN 35 16.008 -8.455 -2.238
280 HD22 ASN 35 HD22 ASN 35 17.099 -9.398 -1.294
281 H GLY 36 HN GLY 36 13.692 -6.018 1.540
282 HA2 GLY 36 HA3 GLY 36 14.405 -6.263 3.832
283 HA3 GLY 36 HA2 GLY 36 15.882 -5.401 3.417
284 H ILE 37 HN ILE 37 15.292 -3.166 2.343
285 HA ILE 37 HA ILE 37 13.551 -1.711 4.141
286 HB ILE 37 HB ILE 37 14.358 -0.009 2.040
287 HG12 ILE 37 HG12 ILE 37 16.898 -0.283 2.350
288 HG13 ILE 37 HG11 ILE 37 16.523 -1.922 2.863
289 HG21 ILE 37 HG21 ILE 37 15.464 -0.332 4.816
290 HG22 ILE 37 HG22 ILE 37 14.052 0.621 4.361
291 HG23 ILE 37 HG23 ILE 37 15.653 1.090 3.791
292 HD11 ILE 37 HD11 ILE 37 15.862 -0.706 0.191
293 HD12 ILE 37 HD12 ILE 37 15.462 -2.348 0.700
294 HD13 ILE 37 HD13 ILE 37 17.150 -1.864 0.526
295 H GLY 38 HN GLY 38 12.948 0.117 1.598
296 HA2 GLY 38 HA3 GLY 38 11.351 0.286 -0.009
297 HA3 GLY 38 HA2 GLY 38 11.388 -1.463 -0.130
298 H SER 39 HN SER 39 9.509 1.164 0.636
299 HA SER 39 HA SER 39 7.729 -0.438 2.292
300 HB2 SER 39 HB3 SER 39 6.382 1.639 2.428
301 HB3 SER 39 HB2 SER 39 8.047 1.887 2.935
302 HG SER 39 HG SER 39 6.679 2.926 0.803
303 H CYS 40 HN CYS 40 6.879 -1.981 1.016
304 HA CYS 40 HA CYS 40 5.945 -1.504 -1.639
305 HB2 CYS 40 HB3 CYS 40 6.542 -3.778 -0.938
306 HB3 CYS 40 HB2 CYS 40 5.311 -3.740 0.317
307 H CYS 41 HN CYS 41 4.374 -0.060 -1.926
308 HA CYS 41 HA CYS 41 1.981 -0.366 -0.260
309 HB2 CYS 41 HB3 CYS 41 3.193 2.233 -1.229
310 HB3 CYS 41 HB2 CYS 41 1.679 2.080 -0.346
311 H ALA 42 HN ALA 42 0.062 0.739 -1.406
312 HA ALA 42 HA ALA 42 0.470 0.822 -4.291
313 HB1 ALA 42 HB1 ALA 42 -1.789 -0.627 -2.924
314 HB2 ALA 42 HB2 ALA 42 -0.492 -1.352 -3.887
315 HB3 ALA 42 HB3 ALA 42 -1.698 -0.315 -4.656
316 H ARG 43 HN ARG 43 -0.752 2.259 -5.424
317 HA ARG 43 HA ARG 43 -1.201 4.650 -4.031
318 HB2 ARG 43 HB3 ARG 43 -0.479 4.532 -6.377
319 HB3 ARG 43 HB2 ARG 43 -2.058 3.906 -6.826
320 HG2 ARG 43 HG3 ARG 43 -3.119 5.953 -6.303
321 HG3 ARG 43 HG2 ARG 43 -1.672 6.576 -5.508
322 HD2 ARG 43 HD3 ARG 43 -0.492 6.651 -7.589
323 HD3 ARG 43 HD2 ARG 43 -1.825 5.861 -8.429
324 HE ARG 43 HE ARG 43 -2.842 8.172 -7.280
325 HH11 ARG 43 HH11 ARG 43 -0.446 7.332 -9.682
326 HH12 ARG 43 HH12 ARG 43 -0.683 8.777 -10.613
327 HH21 ARG 43 HH21 ARG 43 -3.162 10.073 -8.495
328 HH22 ARG 43 HH22 ARG 43 -2.234 10.338 -9.935
329 H GLY 44 HN GLY 44 -2.761 5.063 -2.741
330 HA2 GLY 44 HA3 GLY 44 -5.261 5.635 -2.950
331 HA3 GLY 44 HA2 GLY 44 -5.425 3.906 -3.200
332 H TRP 45 HN TRP 45 -6.722 3.687 -1.357
333 HA TRP 45 HA TRP 45 -5.149 3.449 1.059
334 HB2 TRP 45 HB3 TRP 45 -6.264 5.782 0.976
335 HB3 TRP 45 HB2 TRP 45 -7.766 4.908 1.283
336 HD1 TRP 45 HD1 TRP 45 -8.267 4.329 3.766
337 HE1 TRP 45 HE1 TRP 45 -6.929 4.451 5.965
338 HE3 TRP 45 HE3 TRP 45 -3.720 5.543 1.830
339 HZ2 TRP 45 HZ2 TRP 45 -4.265 5.002 6.760
340 HZ3 TRP 45 HZ3 TRP 45 -1.817 5.856 3.372
341 HH2 TRP 45 HH2 TRP 45 -2.087 5.591 5.784
342 H ARG 46 HN ARG 46 -5.514 1.505 1.793
343 HA ARG 46 HA ARG 46 -7.879 0.027 1.138
344 HB2 ARG 46 HB3 ARG 46 -5.865 -1.188 1.292
345 HB3 ARG 46 HB2 ARG 46 -5.472 -0.520 2.867
346 HG2 ARG 46 HG3 ARG 46 -6.137 -2.748 3.223
347 HG3 ARG 46 HG2 ARG 46 -7.505 -1.757 3.727
348 HD2 ARG 46 HD3 ARG 46 -8.500 -3.459 2.497
349 HD3 ARG 46 HD2 ARG 46 -8.384 -2.137 1.338
350 HE ARG 46 HE ARG 46 -6.922 -4.651 1.304
351 HH11 ARG 46 HH11 ARG 46 -7.286 -1.461 -0.131
352 HH12 ARG 46 HH12 ARG 46 -6.453 -1.894 -1.589
353 HH21 ARG 46 HH21 ARG 46 -5.868 -5.210 -0.623
354 HH22 ARG 46 HH22 ARG 46 -5.652 -4.006 -1.867
355 H SER 47 HN SER 47 -9.568 -0.431 2.393
356 HA SER 47 HA SER 47 -11.230 -0.007 3.864
357 HB2 SER 47 HB3 SER 47 -10.592 -0.218 6.297
358 HB3 SER 47 HB2 SER 47 -10.081 -1.552 5.268
359 HG SER 47 HG SER 47 -8.271 0.529 5.554
Start of MODEL 7
1 H PCA 1 HT2 PCA 1 -14.975 6.573 -3.658
2 HA PCA 1 HA PCA 1 -13.802 4.795 -3.515
3 HB2 PCA 1 HB2 PCA 1 -14.530 3.091 -2.200
4 HB3 PCA 1 HB3 PCA 1 -15.888 2.745 -3.279
5 HG2 PCA 1 HG2 PCA 1 -15.808 4.477 -0.901
6 HG3 PCA 1 HG3 PCA 1 -17.226 3.844 -1.784
7 HT1 PCA 1 HT1 PCA 1 -16.167 5.852 -4.546
8 HA PRO 2 HA PRO 2 -14.478 3.671 -7.855
9 HB2 PRO 2 HB3 PRO 2 -11.621 3.260 -8.000
10 HB3 PRO 2 HB2 PRO 2 -12.580 4.538 -8.755
11 HG2 PRO 2 HG3 PRO 2 -10.773 4.969 -6.741
12 HG3 PRO 2 HG2 PRO 2 -12.161 6.017 -7.069
13 HD2 PRO 2 HD3 PRO 2 -11.838 3.886 -4.990
14 HD3 PRO 2 HD2 PRO 2 -12.620 5.479 -4.864
15 H PHE 3 HN PHE 3 -12.042 2.179 -5.786
16 HA PHE 3 HA PHE 3 -12.939 -0.486 -6.579
17 HB2 PHE 3 HB3 PHE 3 -10.920 -1.326 -5.666
18 HB3 PHE 3 HB2 PHE 3 -10.433 0.185 -6.426
19 HD1 PHE 3 HD1 PHE 3 -10.467 -1.721 -3.424
20 HD2 PHE 3 HD2 PHE 3 -10.288 2.260 -4.927
21 HE1 PHE 3 HE1 PHE 3 -9.585 -0.938 -1.265
22 HE2 PHE 3 HE2 PHE 3 -9.405 3.036 -2.773
23 HZ PHE 3 HZ PHE 3 -9.064 1.436 -0.940
24 H ILE 4 HN ILE 4 -13.231 -2.029 -4.679
25 HA ILE 4 HA ILE 4 -14.788 -0.659 -2.630
26 HB ILE 4 HB ILE 4 -14.513 -3.616 -3.199
27 HG12 ILE 4 HG12 ILE 4 -15.640 -2.459 -5.022
28 HG13 ILE 4 HG11 ILE 4 -16.796 -3.430 -4.115
29 HG21 ILE 4 HG21 ILE 4 -16.473 -3.869 -1.733
30 HG22 ILE 4 HG22 ILE 4 -16.387 -2.150 -1.349
31 HG23 ILE 4 HG23 ILE 4 -15.070 -3.224 -0.877
32 HD11 ILE 4 HD11 ILE 4 -17.529 -1.393 -2.940
33 HD12 ILE 4 HD12 ILE 4 -17.772 -1.310 -4.683
34 HD13 ILE 4 HD13 ILE 4 -16.425 -0.448 -3.939
35 HA PRO 5 HA PRO 5 -11.346 -0.866 0.252
36 HB2 PRO 5 HB3 PRO 5 -13.035 -0.599 2.472
37 HB3 PRO 5 HB2 PRO 5 -12.227 0.717 1.618
38 HG2 PRO 5 HG3 PRO 5 -15.021 -0.281 1.353
39 HG3 PRO 5 HG2 PRO 5 -14.404 1.379 1.251
40 HD2 PRO 5 HD3 PRO 5 -15.101 0.035 -0.945
41 HD3 PRO 5 HD2 PRO 5 -13.682 1.105 -0.941
42 H ARG 6 HN ARG 6 -10.600 -2.879 0.360
43 HA ARG 6 HA ARG 6 -12.232 -4.940 1.670
44 HB2 ARG 6 HB3 ARG 6 -9.761 -5.242 -0.053
45 HB3 ARG 6 HB2 ARG 6 -10.738 -6.553 0.588
46 HG2 ARG 6 HG3 ARG 6 -12.581 -5.964 -0.804
47 HG3 ARG 6 HG2 ARG 6 -11.790 -4.469 -1.310
48 HD2 ARG 6 HD3 ARG 6 -11.600 -6.149 -3.047
49 HD3 ARG 6 HD2 ARG 6 -10.013 -5.786 -2.370
50 HE ARG 6 HE ARG 6 -11.417 -8.069 -1.236
51 HH11 ARG 6 HH11 ARG 6 -8.975 -6.907 -3.457
52 HH12 ARG 6 HH12 ARG 6 -8.203 -8.451 -3.610
53 HH21 ARG 6 HH21 ARG 6 -10.398 -10.093 -1.413
54 HH22 ARG 6 HH22 ARG 6 -9.009 -10.268 -2.441
55 HA PRO 7 HA PRO 7 -9.468 -5.301 5.193
56 HB2 PRO 7 HB3 PRO 7 -8.827 -8.051 4.226
57 HB3 PRO 7 HB2 PRO 7 -9.322 -7.512 5.835
58 HG2 PRO 7 HG3 PRO 7 -11.052 -8.743 4.249
59 HG3 PRO 7 HG2 PRO 7 -11.561 -7.367 5.242
60 HD2 PRO 7 HD3 PRO 7 -11.013 -7.493 2.313
61 HD3 PRO 7 HD2 PRO 7 -12.230 -6.549 3.195
62 H ILE 8 HN ILE 8 -7.385 -4.842 5.569
63 HA ILE 8 HA ILE 8 -5.675 -4.253 3.423
64 HB ILE 8 HB ILE 8 -5.184 -4.374 6.389
65 HG12 ILE 8 HG12 ILE 8 -4.921 -1.867 6.024
66 HG13 ILE 8 HG11 ILE 8 -5.560 -2.126 4.408
67 HG21 ILE 8 HG21 ILE 8 -3.030 -3.269 5.998
68 HG22 ILE 8 HG22 ILE 8 -3.256 -3.456 4.259
69 HG23 ILE 8 HG23 ILE 8 -3.076 -4.881 5.283
70 HD11 ILE 8 HD11 ILE 8 -6.990 -2.742 6.981
71 HD12 ILE 8 HD12 ILE 8 -7.637 -2.962 5.356
72 HD13 ILE 8 HD13 ILE 8 -7.270 -1.341 5.948
73 H ASP 9 HN ASP 9 -4.617 -5.611 2.214
74 HA ASP 9 HA ASP 9 -3.682 -8.155 3.312
75 HB2 ASP 9 HB3 ASP 9 -3.941 -7.181 0.462
76 HB3 ASP 9 HB2 ASP 9 -3.152 -8.696 0.897
77 H THR 10 HN THR 10 -1.511 -8.864 2.594
78 HA THR 10 HA THR 10 0.428 -6.794 3.014
79 HB THR 10 HB THR 10 2.074 -8.681 2.717
80 HG1 THR 10 HG2 THR 10 1.357 -10.584 2.104
81 HG21 THR 10 HG21 THR 10 1.516 -9.710 4.863
82 HG22 THR 10 HG22 THR 10 -0.120 -9.061 4.752
83 HG23 THR 10 HG23 THR 10 1.254 -7.967 4.910
84 H CYS 11 HN CYS 11 2.525 -7.272 1.489
85 HA CYS 11 HA CYS 11 2.082 -5.981 -0.928
86 HB2 CYS 11 HB3 CYS 11 4.232 -6.244 0.394
87 HB3 CYS 11 HB2 CYS 11 4.387 -7.840 -0.319
88 H ARG 12 HN ARG 12 1.135 -9.093 -0.230
89 HA ARG 12 HA ARG 12 1.554 -10.591 -2.506
90 HB2 ARG 12 HB3 ARG 12 -0.670 -11.637 -1.987
91 HB3 ARG 12 HB2 ARG 12 0.517 -11.644 -0.694
92 HG2 ARG 12 HG3 ARG 12 -0.622 -9.628 0.243
93 HG3 ARG 12 HG2 ARG 12 -1.890 -9.877 -0.963
94 HD2 ARG 12 HD3 ARG 12 -0.987 -12.055 0.849
95 HD3 ARG 12 HD2 ARG 12 -2.222 -10.902 1.361
96 HE ARG 12 HE ARG 12 -2.838 -12.075 -1.166
97 HH11 ARG 12 HH11 ARG 12 -2.906 -12.665 2.283
98 HH12 ARG 12 HH12 ARG 12 -4.185 -13.833 2.187
99 HH21 ARG 12 HH21 ARG 12 -4.533 -13.602 -1.300
100 HH22 ARG 12 HH22 ARG 12 -5.124 -14.359 0.146
101 H LEU 13 HN LEU 13 -0.979 -8.149 -1.926
102 HA LEU 13 HA LEU 13 -1.771 -8.233 -4.729
103 HB2 LEU 13 HB3 LEU 13 -2.640 -6.625 -2.335
104 HB3 LEU 13 HB2 LEU 13 -3.084 -6.122 -3.950
105 HG LEU 13 HG LEU 13 -4.900 -7.343 -2.882
106 HD11 LEU 13 HD11 LEU 13 -3.644 -8.920 -5.117
107 HD12 LEU 13 HD12 LEU 13 -4.655 -7.489 -5.301
108 HD13 LEU 13 HD13 LEU 13 -5.337 -8.969 -4.630
109 HD21 LEU 13 HD21 LEU 13 -2.966 -9.649 -2.748
110 HD22 LEU 13 HD22 LEU 13 -4.692 -9.738 -2.399
111 HD23 LEU 13 HD23 LEU 13 -3.636 -8.761 -1.380
112 H ARG 14 HN ARG 14 -0.190 -7.419 -6.052
113 HA ARG 14 HA ARG 14 1.721 -5.717 -4.701
114 HB2 ARG 14 HB3 ARG 14 2.439 -7.920 -5.464
115 HB3 ARG 14 HB2 ARG 14 1.998 -7.492 -7.115
116 HG2 ARG 14 HG3 ARG 14 4.254 -7.111 -7.080
117 HG3 ARG 14 HG2 ARG 14 3.559 -5.513 -6.773
118 HD2 ARG 14 HD3 ARG 14 5.419 -5.932 -5.257
119 HD3 ARG 14 HD2 ARG 14 3.888 -5.812 -4.377
120 HE ARG 14 HE ARG 14 3.986 -8.094 -3.912
121 HH11 ARG 14 HH11 ARG 14 6.706 -7.094 -5.883
122 HH12 ARG 14 HH12 ARG 14 7.637 -8.519 -5.552
123 HH21 ARG 14 HH21 ARG 14 5.213 -9.971 -3.469
124 HH22 ARG 14 HH22 ARG 14 6.780 -10.161 -4.183
125 H ASN 15 HN ASN 15 2.767 -4.055 -5.688
126 HA ASN 15 HA ASN 15 3.440 -2.547 -7.197
127 HB2 ASN 15 HB3 ASN 15 3.474 -4.458 -8.781
128 HB3 ASN 15 HB2 ASN 15 1.832 -4.039 -9.248
129 HD21 ASN 15 HD21 ASN 15 2.387 -3.590 -11.367
130 HD22 ASN 15 HD22 ASN 15 3.300 -2.195 -11.811
131 H GLY 16 HN GLY 16 1.823 -1.386 -5.717
132 HA2 GLY 16 HA3 GLY 16 0.051 0.036 -7.585
133 HA3 GLY 16 HA2 GLY 16 -0.036 0.155 -5.833
134 H ILE 17 HN ILE 17 2.473 0.638 -5.019
135 HA ILE 17 HA ILE 17 4.213 1.748 -6.966
136 HB ILE 17 HB ILE 17 2.968 3.674 -5.035
137 HG12 ILE 17 HG12 ILE 17 3.988 3.833 -7.881
138 HG13 ILE 17 HG11 ILE 17 2.310 3.856 -7.352
139 HG21 ILE 17 HG21 ILE 17 5.806 3.916 -6.039
140 HG22 ILE 17 HG22 ILE 17 5.339 3.562 -4.374
141 HG23 ILE 17 HG23 ILE 17 4.924 5.120 -5.097
142 HD11 ILE 17 HD11 ILE 17 2.706 6.026 -6.275
143 HD12 ILE 17 HD12 ILE 17 3.021 6.063 -8.008
144 HD13 ILE 17 HD13 ILE 17 4.364 5.998 -6.867
145 H CYS 18 HN CYS 18 6.277 1.235 -6.386
146 HA CYS 18 HA CYS 18 6.699 0.211 -3.683
147 HB2 CYS 18 HB3 CYS 18 7.553 -1.215 -5.412
148 HB3 CYS 18 HB2 CYS 18 8.399 0.122 -6.183
149 H PHE 19 HN PHE 19 7.211 1.689 -2.185
150 HA PHE 19 HA PHE 19 8.681 4.083 -2.991
151 HB2 PHE 19 HB3 PHE 19 6.927 3.382 -0.688
152 HB3 PHE 19 HB2 PHE 19 8.157 4.612 -0.440
153 HD1 PHE 19 HD1 PHE 19 4.918 3.878 -1.754
154 HD2 PHE 19 HD2 PHE 19 8.152 6.624 -1.963
155 HE1 PHE 19 HE1 PHE 19 3.427 5.549 -2.768
156 HE2 PHE 19 HE2 PHE 19 6.674 8.299 -2.975
157 HZ PHE 19 HZ PHE 19 4.290 7.784 -3.326
158 HA PRO 20 HA PRO 20 12.247 2.582 -0.719
159 HB2 PRO 20 HB3 PRO 20 13.998 4.359 -1.728
160 HB3 PRO 20 HB2 PRO 20 13.493 2.930 -2.642
161 HG2 PRO 20 HG3 PRO 20 12.643 5.773 -2.938
162 HG3 PRO 20 HG2 PRO 20 12.888 4.537 -4.183
163 HD2 PRO 20 HD3 PRO 20 10.430 5.308 -3.122
164 HD3 PRO 20 HD2 PRO 20 10.743 3.806 -4.014
165 H GLY 21 HN GLY 21 11.559 3.220 1.296
166 HA2 GLY 21 HA3 GLY 21 12.281 5.065 2.927
167 HA3 GLY 21 HA2 GLY 21 11.354 6.100 1.848
168 H ILE 22 HN ILE 22 9.352 6.518 2.557
169 HA ILE 22 HA ILE 22 7.851 4.361 3.868
170 HB ILE 22 HB ILE 22 6.926 6.035 5.494
171 HG12 ILE 22 HG12 ILE 22 9.343 7.666 4.683
172 HG13 ILE 22 HG11 ILE 22 7.687 8.044 4.220
173 HG21 ILE 22 HG21 ILE 22 9.865 5.397 5.687
174 HG22 ILE 22 HG22 ILE 22 8.528 4.365 6.195
175 HG23 ILE 22 HG23 ILE 22 8.835 5.886 7.033
176 HD11 ILE 22 HD11 ILE 22 8.445 9.394 6.098
177 HD12 ILE 22 HD12 ILE 22 8.731 7.930 7.037
178 HD13 ILE 22 HD13 ILE 22 7.092 8.358 6.549
179 H CYS 23 HN CYS 23 5.586 4.555 3.754
180 HA CYS 23 HA CYS 23 4.567 6.387 1.741
181 HB2 CYS 23 HB3 CYS 23 3.571 3.820 2.966
182 HB3 CYS 23 HB2 CYS 23 2.561 4.817 1.967
183 H ARG 24 HN ARG 24 2.990 7.891 2.255
184 HA ARG 24 HA ARG 24 1.994 7.826 5.012
185 HB2 ARG 24 HB3 ARG 24 2.299 10.319 5.124
186 HB3 ARG 24 HB2 ARG 24 3.784 9.383 5.137
187 HG2 ARG 24 HG3 ARG 24 4.124 9.863 2.772
188 HG3 ARG 24 HG2 ARG 24 2.618 10.783 2.737
189 HD2 ARG 24 HD3 ARG 24 4.984 11.437 4.485
190 HD3 ARG 24 HD2 ARG 24 4.660 12.189 2.926
191 HE ARG 24 HE ARG 24 2.451 12.397 4.742
192 HH11 ARG 24 HH11 ARG 24 5.521 13.800 3.829
193 HH12 ARG 24 HH12 ARG 24 5.131 15.377 4.437
194 HH21 ARG 24 HH21 ARG 24 1.925 14.481 5.541
195 HH22 ARG 24 HH22 ARG 24 3.083 15.766 5.405
196 H ARG 25 HN ARG 25 1.558 9.190 1.751
197 HA ARG 25 HA ARG 25 -1.164 8.664 1.601
198 HB2 ARG 25 HB3 ARG 25 -0.530 11.369 2.713
199 HB3 ARG 25 HB2 ARG 25 -1.821 11.250 1.535
200 HG2 ARG 25 HG3 ARG 25 -1.715 9.741 4.136
201 HG3 ARG 25 HG2 ARG 25 -2.622 11.225 3.856
202 HD2 ARG 25 HD3 ARG 25 -3.964 10.099 2.169
203 HD3 ARG 25 HD2 ARG 25 -3.033 8.621 2.390
204 HE ARG 25 HE ARG 25 -3.907 8.944 4.844
205 HH11 ARG 25 HH11 ARG 25 -5.679 9.461 1.862
206 HH12 ARG 25 HH12 ARG 25 -7.205 9.009 2.551
207 HH21 ARG 25 HH21 ARG 25 -5.915 8.372 5.748
208 HH22 ARG 25 HH22 ARG 25 -7.342 8.389 4.762
209 HA PRO 26 HA PRO 26 -2.533 8.523 0.417
210 HB2 PRO 26 HB3 PRO 26 -3.354 8.075 -2.298
211 HB3 PRO 26 HB2 PRO 26 -4.173 9.051 -1.074
212 HG2 PRO 26 HG3 PRO 26 -3.039 10.092 -3.334
213 HG3 PRO 26 HG2 PRO 26 -3.213 10.993 -1.813
214 HD2 PRO 26 HD3 PRO 26 -0.805 9.541 -2.879
215 HD3 PRO 26 HD2 PRO 26 -0.904 11.161 -2.146
216 H TYR 27 HN TYR 27 -1.281 6.742 0.964
217 HA TYR 27 HA TYR 27 -1.081 4.607 -0.935
218 HB2 TYR 27 HB3 TYR 27 1.466 5.777 0.200
219 HB3 TYR 27 HB2 TYR 27 1.359 4.267 -0.683
220 HD1 TYR 27 HD1 TYR 27 0.844 4.286 -3.104
221 HD2 TYR 27 HD2 TYR 27 1.512 7.879 -0.934
222 HE1 TYR 27 HE1 TYR 27 1.150 5.501 -5.215
223 HE2 TYR 27 HE2 TYR 27 1.820 9.102 -3.036
224 HH TYR 27 HH TYR 27 2.521 8.556 -5.389
225 H TYR 28 HN TYR 28 -1.248 2.775 0.119
226 HA TYR 28 HA TYR 28 -0.936 2.906 3.024
227 HB2 TYR 28 HB3 TYR 28 -2.591 1.113 3.212
228 HB3 TYR 28 HB2 TYR 28 -3.254 2.511 2.384
229 HD1 TYR 28 HD1 TYR 28 -2.626 -1.050 2.200
230 HD2 TYR 28 HD2 TYR 28 -3.483 2.432 -0.119
231 HE1 TYR 28 HE1 TYR 28 -3.314 -2.467 0.310
232 HE2 TYR 28 HE2 TYR 28 -4.175 1.014 -1.996
233 HH TYR 28 HH TYR 28 -4.558 -2.409 -1.699
234 H TRP 29 HN TRP 29 0.487 1.679 3.948
235 HA TRP 29 HA TRP 29 2.405 0.356 2.339
236 HB2 TRP 29 HB3 TRP 29 3.053 1.585 4.324
237 HB3 TRP 29 HB2 TRP 29 2.084 0.542 5.337
238 HD1 TRP 29 HD1 TRP 29 5.428 0.697 3.520
239 HE1 TRP 29 HE1 TRP 29 6.902 -1.243 4.320
240 HE3 TRP 29 HE3 TRP 29 1.974 -1.847 6.265
241 HZ2 TRP 29 HZ2 TRP 29 6.636 -3.565 5.902
242 HZ3 TRP 29 HZ3 TRP 29 2.657 -3.929 7.391
243 HH2 TRP 29 HH2 TRP 29 4.940 -4.768 7.203
244 H ILE 30 HN ILE 30 2.241 -1.580 1.538
245 HA ILE 30 HA ILE 30 0.947 -3.695 3.118
246 HB ILE 30 HB ILE 30 0.519 -4.816 0.876
247 HG12 ILE 30 HG12 ILE 30 0.883 -2.017 -0.227
248 HG13 ILE 30 HG11 ILE 30 2.079 -3.293 -0.420
249 HG21 ILE 30 HG21 ILE 30 -1.521 -3.523 0.459
250 HG22 ILE 30 HG22 ILE 30 -0.896 -2.229 1.481
251 HG23 ILE 30 HG23 ILE 30 -1.253 -3.810 2.178
252 HD11 ILE 30 HD11 ILE 30 0.385 -4.629 -1.612
253 HD12 ILE 30 HD12 ILE 30 0.770 -3.104 -2.407
254 HD13 ILE 30 HD13 ILE 30 -0.731 -3.263 -1.483
255 H GLY 31 HN GLY 31 2.791 -4.493 4.067
256 HA2 GLY 31 HA3 GLY 31 4.711 -5.735 4.259
257 HA3 GLY 31 HA2 GLY 31 4.389 -6.304 2.635
258 H THR 32 HN THR 32 6.778 -6.298 2.459
259 HA THR 32 HA THR 32 7.873 -3.585 2.179
260 HB THR 32 HB THR 32 10.122 -4.953 2.339
261 HG1 THR 32 HG2 THR 32 9.079 -7.003 2.464
262 HG21 THR 32 HG21 THR 32 8.396 -4.347 4.743
263 HG22 THR 32 HG22 THR 32 9.404 -3.185 3.880
264 HG23 THR 32 HG23 THR 32 10.151 -4.528 4.745
265 H CYS 33 HN CYS 33 9.267 -3.084 0.550
266 HA CYS 33 HA CYS 33 9.377 -4.868 -1.794
267 HB2 CYS 33 HB3 CYS 33 7.873 -2.915 -2.161
268 HB3 CYS 33 HB2 CYS 33 9.189 -1.833 -1.737
269 H ASN 34 HN ASN 34 11.362 -3.692 -3.256
270 HA ASN 34 HA ASN 34 13.636 -3.512 -3.381
271 HB2 ASN 34 HB3 ASN 34 13.062 -2.001 -0.838
272 HB3 ASN 34 HB2 ASN 34 14.706 -2.191 -1.424
273 HD21 ASN 34 HD21 ASN 34 12.989 0.205 -1.113
274 HD22 ASN 34 HD22 ASN 34 12.990 0.955 -2.665
275 H ASN 35 HN ASN 35 15.620 -3.626 -1.339
276 HA ASN 35 HA ASN 35 15.271 -6.422 -0.493
277 HB2 ASN 35 HB3 ASN 35 17.786 -4.874 -1.144
278 HB3 ASN 35 HB2 ASN 35 17.783 -6.494 -0.456
279 HD21 ASN 35 HD21 ASN 35 18.846 -5.570 -2.997
280 HD22 ASN 35 HD22 ASN 35 18.050 -6.501 -4.217
281 H GLY 36 HN GLY 36 14.115 -5.566 1.396
282 HA2 GLY 36 HA3 GLY 36 14.594 -5.913 3.755
283 HA3 GLY 36 HA2 GLY 36 16.064 -4.972 3.537
284 H ILE 37 HN ILE 37 15.405 -2.791 2.338
285 HA ILE 37 HA ILE 37 13.642 -1.311 4.045
286 HB ILE 37 HB ILE 37 14.101 0.497 2.284
287 HG12 ILE 37 HG12 ILE 37 16.198 -1.498 1.429
288 HG13 ILE 37 HG11 ILE 37 14.754 -1.105 0.500
289 HG21 ILE 37 HG21 ILE 37 16.376 -0.724 3.833
290 HG22 ILE 37 HG22 ILE 37 15.212 0.456 4.435
291 HG23 ILE 37 HG23 ILE 37 16.359 0.911 3.175
292 HD11 ILE 37 HD11 ILE 37 16.905 0.840 1.268
293 HD12 ILE 37 HD12 ILE 37 15.493 1.177 0.268
294 HD13 ILE 37 HD13 ILE 37 16.738 0.067 -0.309
295 H GLY 38 HN GLY 38 12.621 0.354 1.758
296 HA2 GLY 38 HA3 GLY 38 11.222 0.295 -0.069
297 HA3 GLY 38 HA2 GLY 38 11.363 -1.454 -0.078
298 H SER 39 HN SER 39 9.495 1.219 0.813
299 HA SER 39 HA SER 39 7.597 -0.346 2.324
300 HB2 SER 39 HB3 SER 39 7.670 2.497 1.318
301 HB3 SER 39 HB2 SER 39 6.244 1.821 2.112
302 HG SER 39 HG SER 39 8.609 2.684 3.183
303 H CYS 40 HN CYS 40 6.807 -1.932 1.033
304 HA CYS 40 HA CYS 40 5.937 -1.473 -1.660
305 HB2 CYS 40 HB3 CYS 40 6.576 -3.742 -0.957
306 HB3 CYS 40 HB2 CYS 40 5.336 -3.731 0.286
307 H CYS 41 HN CYS 41 4.362 0.006 -1.890
308 HA CYS 41 HA CYS 41 1.943 -0.419 -0.286
309 HB2 CYS 41 HB3 CYS 41 2.950 2.228 -1.341
310 HB3 CYS 41 HB2 CYS 41 1.560 1.962 -0.290
311 H ALA 42 HN ALA 42 0.016 0.643 -1.437
312 HA ALA 42 HA ALA 42 0.429 0.605 -4.310
313 HB1 ALA 42 HB1 ALA 42 -1.892 -0.649 -2.857
314 HB2 ALA 42 HB2 ALA 42 -0.659 -1.482 -3.819
315 HB3 ALA 42 HB3 ALA 42 -1.823 -0.411 -4.604
316 H ARG 43 HN ARG 43 -0.644 2.117 -5.497
317 HA ARG 43 HA ARG 43 -0.976 4.550 -4.155
318 HB2 ARG 43 HB3 ARG 43 -0.251 4.355 -6.509
319 HB3 ARG 43 HB2 ARG 43 -1.874 3.834 -6.950
320 HG2 ARG 43 HG3 ARG 43 -2.765 5.981 -6.189
321 HG3 ARG 43 HG2 ARG 43 -1.130 6.503 -5.774
322 HD2 ARG 43 HD3 ARG 43 -1.807 7.391 -7.925
323 HD3 ARG 43 HD2 ARG 43 -0.462 6.268 -8.111
324 HE ARG 43 HE ARG 43 -2.979 4.972 -8.450
325 HH11 ARG 43 HH11 ARG 43 -0.645 7.003 -10.089
326 HH12 ARG 43 HH12 ARG 43 -1.106 6.469 -11.672
327 HH21 ARG 43 HH21 ARG 43 -3.590 4.266 -10.518
328 HH22 ARG 43 HH22 ARG 43 -2.795 4.912 -11.921
329 H GLY 44 HN GLY 44 -2.528 5.048 -2.879
330 HA2 GLY 44 HA3 GLY 44 -4.978 5.746 -3.104
331 HA3 GLY 44 HA2 GLY 44 -5.236 4.036 -3.400
332 H TRP 45 HN TRP 45 -6.632 4.072 -1.582
333 HA TRP 45 HA TRP 45 -5.151 3.669 0.895
334 HB2 TRP 45 HB3 TRP 45 -6.124 6.068 0.699
335 HB3 TRP 45 HB2 TRP 45 -7.685 5.288 0.943
336 HD1 TRP 45 HD1 TRP 45 -8.400 5.179 3.409
337 HE1 TRP 45 HE1 TRP 45 -7.176 5.210 5.676
338 HE3 TRP 45 HE3 TRP 45 -3.606 5.259 1.699
339 HZ2 TRP 45 HZ2 TRP 45 -4.503 5.260 6.609
340 HZ3 TRP 45 HZ3 TRP 45 -1.763 5.304 3.343
341 HH2 TRP 45 HH2 TRP 45 -2.206 5.303 5.741
342 H ARG 46 HN ARG 46 -5.692 1.692 1.527
343 HA ARG 46 HA ARG 46 -8.239 0.573 0.700
344 HB2 ARG 46 HB3 ARG 46 -5.976 -0.638 0.676
345 HB3 ARG 46 HB2 ARG 46 -6.187 -0.769 2.417
346 HG2 ARG 46 HG3 ARG 46 -8.281 -1.965 2.106
347 HG3 ARG 46 HG2 ARG 46 -8.090 -1.846 0.357
348 HD2 ARG 46 HD3 ARG 46 -5.982 -3.097 2.063
349 HD3 ARG 46 HD2 ARG 46 -7.389 -4.022 1.549
350 HE ARG 46 HE ARG 46 -5.777 -2.681 -0.498
351 HH11 ARG 46 HH11 ARG 46 -6.815 -5.629 1.079
352 HH12 ARG 46 HH12 ARG 46 -6.172 -6.677 -0.151
353 HH21 ARG 46 HH21 ARG 46 -4.935 -4.035 -2.130
354 HH22 ARG 46 HH22 ARG 46 -5.104 -5.755 -1.985
355 H SER 47 HN SER 47 -9.899 0.113 1.997
356 HA SER 47 HA SER 47 -11.344 0.282 3.726
357 HB2 SER 47 HB3 SER 47 -9.609 -1.290 4.741
358 HB3 SER 47 HB2 SER 47 -8.954 0.121 5.570
359 HG SER 47 HG SER 47 -10.578 0.088 6.913
Start of MODEL 8
1 H PCA 1 HT2 PCA 1 -13.443 7.091 -1.146
2 HA PCA 1 HA PCA 1 -12.857 5.044 -1.201
3 HB2 PCA 1 HB2 PCA 1 -13.761 3.656 0.357
4 HB3 PCA 1 HB3 PCA 1 -15.344 3.696 -0.435
5 HG2 PCA 1 HG2 PCA 1 -14.323 5.381 1.759
6 HG3 PCA 1 HG3 PCA 1 -16.006 5.137 1.215
7 HT1 PCA 1 HT1 PCA 1 -14.908 6.789 -1.846
8 HA PRO 2 HA PRO 2 -14.763 4.374 -5.267
9 HB2 PRO 2 HB3 PRO 2 -12.249 3.138 -6.017
10 HB3 PRO 2 HB2 PRO 2 -12.940 4.655 -6.597
11 HG2 PRO 2 HG3 PRO 2 -10.699 4.517 -5.046
12 HG3 PRO 2 HG2 PRO 2 -11.794 5.911 -5.066
13 HD2 PRO 2 HD3 PRO 2 -11.617 3.661 -3.089
14 HD3 PRO 2 HD2 PRO 2 -11.854 5.404 -2.800
15 H PHE 3 HN PHE 3 -12.986 2.252 -3.196
16 HA PHE 3 HA PHE 3 -14.742 0.050 -3.986
17 HB2 PHE 3 HB3 PHE 3 -13.016 -1.529 -3.757
18 HB3 PHE 3 HB2 PHE 3 -12.202 -0.184 -4.544
19 HD1 PHE 3 HD1 PHE 3 -11.983 -2.504 -1.939
20 HD2 PHE 3 HD2 PHE 3 -11.139 1.568 -2.866
21 HE1 PHE 3 HE1 PHE 3 -10.296 -2.446 -0.148
22 HE2 PHE 3 HE2 PHE 3 -9.457 1.627 -1.078
23 HZ PHE 3 HZ PHE 3 -9.118 -0.398 0.357
24 H ILE 4 HN ILE 4 -15.140 -1.449 -2.096
25 HA ILE 4 HA ILE 4 -15.377 0.116 0.343
26 HB ILE 4 HB ILE 4 -17.345 -1.136 -0.285
27 HG12 ILE 4 HG12 ILE 4 -17.638 -2.568 1.777
28 HG13 ILE 4 HG11 ILE 4 -15.948 -2.244 2.148
29 HG21 ILE 4 HG21 ILE 4 -15.624 -3.599 -0.156
30 HG22 ILE 4 HG22 ILE 4 -16.388 -2.910 -1.590
31 HG23 ILE 4 HG23 ILE 4 -17.380 -3.598 -0.305
32 HD11 ILE 4 HD11 ILE 4 -16.441 0.147 2.250
33 HD12 ILE 4 HD12 ILE 4 -17.409 -0.777 3.396
34 HD13 ILE 4 HD13 ILE 4 -18.134 -0.194 1.899
35 HA PRO 5 HA PRO 5 -11.299 -1.139 1.761
36 HB2 PRO 5 HB3 PRO 5 -12.817 -0.548 4.272
37 HB3 PRO 5 HB2 PRO 5 -11.162 -0.113 3.838
38 HG2 PRO 5 HG3 PRO 5 -13.178 1.647 3.641
39 HG3 PRO 5 HG2 PRO 5 -11.830 1.633 2.492
40 HD2 PRO 5 HD3 PRO 5 -14.633 0.872 2.081
41 HD3 PRO 5 HD2 PRO 5 -13.390 1.279 0.890
42 H ARG 6 HN ARG 6 -11.037 -3.275 1.549
43 HA ARG 6 HA ARG 6 -12.523 -5.134 3.241
44 HB2 ARG 6 HB3 ARG 6 -10.413 -5.702 1.143
45 HB3 ARG 6 HB2 ARG 6 -11.478 -6.877 1.898
46 HG2 ARG 6 HG3 ARG 6 -13.402 -5.848 0.827
47 HG3 ARG 6 HG2 ARG 6 -12.354 -4.630 0.096
48 HD2 ARG 6 HD3 ARG 6 -12.249 -7.606 -0.396
49 HD3 ARG 6 HD2 ARG 6 -12.881 -6.386 -1.500
50 HE ARG 6 HE ARG 6 -10.656 -5.580 -1.822
51 HH11 ARG 6 HH11 ARG 6 -10.847 -8.584 -0.024
52 HH12 ARG 6 HH12 ARG 6 -9.205 -9.031 -0.350
53 HH21 ARG 6 HH21 ARG 6 -8.518 -6.174 -2.279
54 HH22 ARG 6 HH22 ARG 6 -7.868 -7.650 -1.621
55 HA PRO 7 HA PRO 7 -9.246 -5.957 6.248
56 HB2 PRO 7 HB3 PRO 7 -9.059 -8.636 4.915
57 HB3 PRO 7 HB2 PRO 7 -9.098 -8.245 6.639
58 HG2 PRO 7 HG3 PRO 7 -11.275 -9.161 5.409
59 HG3 PRO 7 HG2 PRO 7 -11.390 -7.896 6.645
60 HD2 PRO 7 HD3 PRO 7 -11.688 -7.694 3.699
61 HD3 PRO 7 HD2 PRO 7 -12.418 -6.707 4.981
62 H ILE 8 HN ILE 8 -7.189 -5.369 6.134
63 HA ILE 8 HA ILE 8 -6.103 -4.686 3.644
64 HB ILE 8 HB ILE 8 -4.819 -4.781 6.365
65 HG12 ILE 8 HG12 ILE 8 -6.013 -2.530 4.735
66 HG13 ILE 8 HG11 ILE 8 -6.695 -3.234 6.195
67 HG21 ILE 8 HG21 ILE 8 -3.087 -4.893 4.661
68 HG22 ILE 8 HG22 ILE 8 -3.091 -3.300 5.420
69 HG23 ILE 8 HG23 ILE 8 -3.801 -3.516 3.821
70 HD11 ILE 8 HD11 ILE 8 -4.779 -2.406 7.472
71 HD12 ILE 8 HD12 ILE 8 -5.657 -1.105 6.664
72 HD13 ILE 8 HD13 ILE 8 -4.126 -1.681 6.001
73 H ASP 9 HN ASP 9 -5.145 -5.873 2.198
74 HA ASP 9 HA ASP 9 -4.092 -8.490 2.861
75 HB2 ASP 9 HB3 ASP 9 -4.266 -7.000 0.225
76 HB3 ASP 9 HB2 ASP 9 -3.593 -8.621 0.395
77 H THR 10 HN THR 10 -1.950 -9.095 2.102
78 HA THR 10 HA THR 10 0.021 -7.127 2.831
79 HB THR 10 HB THR 10 1.592 -9.098 2.363
80 HG1 THR 10 HG2 THR 10 0.446 -11.141 2.402
81 HG21 THR 10 HG21 THR 10 1.035 -10.133 4.509
82 HG22 THR 10 HG22 THR 10 -0.555 -9.371 4.467
83 HG23 THR 10 HG23 THR 10 0.893 -8.376 4.602
84 H CYS 11 HN CYS 11 2.164 -7.520 1.339
85 HA CYS 11 HA CYS 11 1.784 -6.093 -1.015
86 HB2 CYS 11 HB3 CYS 11 3.921 -6.362 0.242
87 HB3 CYS 11 HB2 CYS 11 4.044 -7.998 -0.386
88 H ARG 12 HN ARG 12 0.726 -9.194 -0.520
89 HA ARG 12 HA ARG 12 1.158 -10.520 -2.905
90 HB2 ARG 12 HB3 ARG 12 -0.995 -11.640 -2.533
91 HB3 ARG 12 HB2 ARG 12 0.057 -11.646 -1.135
92 HG2 ARG 12 HG3 ARG 12 -1.288 -9.681 -0.293
93 HG3 ARG 12 HG2 ARG 12 -2.445 -10.073 -1.575
94 HD2 ARG 12 HD3 ARG 12 -2.633 -12.338 -0.740
95 HD3 ARG 12 HD2 ARG 12 -1.428 -11.983 0.492
96 HE ARG 12 HE ARG 12 -3.969 -10.499 0.443
97 HH11 ARG 12 HH11 ARG 12 -1.792 -12.710 2.065
98 HH12 ARG 12 HH12 ARG 12 -2.695 -12.711 3.545
99 HH21 ARG 12 HH21 ARG 12 -5.165 -10.500 2.377
100 HH22 ARG 12 HH22 ARG 12 -4.611 -11.454 3.729
101 H LEU 13 HN LEU 13 -1.138 -7.927 -2.175
102 HA LEU 13 HA LEU 13 -1.857 -7.720 -4.995
103 HB2 LEU 13 HB3 LEU 13 -2.666 -6.264 -2.495
104 HB3 LEU 13 HB2 LEU 13 -2.941 -5.526 -4.055
105 HG LEU 13 HG LEU 13 -4.963 -6.585 -3.295
106 HD11 LEU 13 HD11 LEU 13 -5.437 -8.024 -5.182
107 HD12 LEU 13 HD12 LEU 13 -3.715 -8.205 -5.503
108 HD13 LEU 13 HD13 LEU 13 -4.484 -6.631 -5.692
109 HD21 LEU 13 HD21 LEU 13 -3.371 -9.138 -3.161
110 HD22 LEU 13 HD22 LEU 13 -5.112 -8.993 -2.927
111 HD23 LEU 13 HD23 LEU 13 -4.003 -8.233 -1.786
112 H ARG 14 HN ARG 14 -0.111 -7.022 -6.161
113 HA ARG 14 HA ARG 14 1.663 -5.123 -4.842
114 HB2 ARG 14 HB3 ARG 14 2.621 -7.302 -5.199
115 HB3 ARG 14 HB2 ARG 14 2.141 -7.283 -6.890
116 HG2 ARG 14 HG3 ARG 14 4.391 -6.798 -6.928
117 HG3 ARG 14 HG2 ARG 14 3.580 -5.239 -7.098
118 HD2 ARG 14 HD3 ARG 14 3.881 -4.843 -4.684
119 HD3 ARG 14 HD2 ARG 14 4.786 -6.357 -4.577
120 HE ARG 14 HE ARG 14 5.694 -4.232 -6.394
121 HH11 ARG 14 HH11 ARG 14 6.243 -6.215 -3.561
122 HH12 ARG 14 HH12 ARG 14 7.943 -5.879 -3.506
123 HH21 ARG 14 HH21 ARG 14 7.921 -3.791 -6.326
124 HH22 ARG 14 HH22 ARG 14 8.896 -4.489 -5.071
125 H ASN 15 HN ASN 15 2.990 -3.814 -6.381
126 HA ASN 15 HA ASN 15 3.392 -2.458 -8.122
127 HB2 ASN 15 HB3 ASN 15 1.318 -4.176 -9.471
128 HB3 ASN 15 HB2 ASN 15 2.070 -2.802 -10.278
129 HD21 ASN 15 HD21 ASN 15 2.196 -5.674 -10.866
130 HD22 ASN 15 HD22 ASN 15 3.874 -6.076 -10.863
131 H GLY 16 HN GLY 16 1.999 -1.482 -6.095
132 HA2 GLY 16 HA3 GLY 16 0.078 0.267 -7.482
133 HA3 GLY 16 HA2 GLY 16 0.163 0.042 -5.739
134 H ILE 17 HN ILE 17 2.649 0.510 -4.966
135 HA ILE 17 HA ILE 17 4.357 1.773 -6.826
136 HB ILE 17 HB ILE 17 3.154 3.589 -4.761
137 HG12 ILE 17 HG12 ILE 17 4.107 3.875 -7.618
138 HG13 ILE 17 HG11 ILE 17 2.452 3.950 -7.027
139 HG21 ILE 17 HG21 ILE 17 5.500 3.461 -4.114
140 HG22 ILE 17 HG22 ILE 17 5.129 5.034 -4.825
141 HG23 ILE 17 HG23 ILE 17 5.987 3.816 -5.771
142 HD11 ILE 17 HD11 ILE 17 3.232 6.153 -7.596
143 HD12 ILE 17 HD12 ILE 17 4.626 5.970 -6.533
144 HD13 ILE 17 HD13 ILE 17 3.002 6.041 -5.851
145 H CYS 18 HN CYS 18 6.474 1.328 -6.268
146 HA CYS 18 HA CYS 18 6.959 0.308 -3.564
147 HB2 CYS 18 HB3 CYS 18 7.791 -1.176 -5.246
148 HB3 CYS 18 HB2 CYS 18 8.572 0.141 -6.114
149 H PHE 19 HN PHE 19 7.355 1.956 -2.197
150 HA PHE 19 HA PHE 19 8.909 4.254 -3.101
151 HB2 PHE 19 HB3 PHE 19 7.243 3.674 -0.675
152 HB3 PHE 19 HB2 PHE 19 8.415 4.978 -0.636
153 HD1 PHE 19 HD1 PHE 19 5.114 4.080 -1.371
154 HD2 PHE 19 HD2 PHE 19 8.231 6.712 -2.574
155 HE1 PHE 19 HE1 PHE 19 3.451 5.574 -2.401
156 HE2 PHE 19 HE2 PHE 19 6.577 8.216 -3.601
157 HZ PHE 19 HZ PHE 19 4.181 7.652 -3.511
158 HA PRO 20 HA PRO 20 12.341 2.805 -0.604
159 HB2 PRO 20 HB3 PRO 20 14.177 4.541 -1.533
160 HB3 PRO 20 HB2 PRO 20 13.696 3.109 -2.451
161 HG2 PRO 20 HG3 PRO 20 12.994 5.959 -2.889
162 HG3 PRO 20 HG2 PRO 20 13.148 4.645 -4.065
163 HD2 PRO 20 HD3 PRO 20 10.754 5.666 -2.948
164 HD3 PRO 20 HD2 PRO 20 10.928 4.215 -3.956
165 H GLY 21 HN GLY 21 11.504 3.480 1.351
166 HA2 GLY 21 HA3 GLY 21 12.306 5.352 2.966
167 HA3 GLY 21 HA2 GLY 21 11.355 6.357 1.883
168 H ILE 22 HN ILE 22 9.298 6.697 2.461
169 HA ILE 22 HA ILE 22 7.882 4.607 3.943
170 HB ILE 22 HB ILE 22 6.888 6.391 5.438
171 HG12 ILE 22 HG12 ILE 22 9.344 7.928 4.564
172 HG13 ILE 22 HG11 ILE 22 7.689 8.336 4.126
173 HG21 ILE 22 HG21 ILE 22 9.807 5.725 5.758
174 HG22 ILE 22 HG22 ILE 22 8.442 4.722 6.250
175 HG23 ILE 22 HG23 ILE 22 8.728 6.273 7.042
176 HD11 ILE 22 HD11 ILE 22 7.166 8.720 6.481
177 HD12 ILE 22 HD12 ILE 22 8.493 9.743 5.930
178 HD13 ILE 22 HD13 ILE 22 8.828 8.318 6.913
179 H CYS 23 HN CYS 23 5.760 4.441 3.503
180 HA CYS 23 HA CYS 23 4.543 6.268 1.614
181 HB2 CYS 23 HB3 CYS 23 3.614 3.648 2.808
182 HB3 CYS 23 HB2 CYS 23 2.777 4.544 1.579
183 H ARG 24 HN ARG 24 2.950 7.682 2.207
184 HA ARG 24 HA ARG 24 1.788 7.330 4.873
185 HB2 ARG 24 HB3 ARG 24 1.969 9.838 5.183
186 HB3 ARG 24 HB2 ARG 24 3.466 8.924 5.306
187 HG2 ARG 24 HG3 ARG 24 4.071 9.566 3.040
188 HG3 ARG 24 HG2 ARG 24 2.548 10.443 2.873
189 HD2 ARG 24 HD3 ARG 24 4.726 11.051 4.868
190 HD3 ARG 24 HD2 ARG 24 4.406 11.951 3.384
191 HE ARG 24 HE ARG 24 2.048 11.901 4.873
192 HH11 ARG 24 HH11 ARG 24 5.273 13.205 5.111
193 HH12 ARG 24 HH12 ARG 24 4.794 14.562 6.076
194 HH21 ARG 24 HH21 ARG 24 1.399 13.685 6.142
195 HH22 ARG 24 HH22 ARG 24 2.584 14.834 6.670
196 H ARG 25 HN ARG 25 1.508 8.977 1.712
197 HA ARG 25 HA ARG 25 -1.127 8.224 1.342
198 HB2 ARG 25 HB3 ARG 25 -0.897 10.603 2.997
199 HB3 ARG 25 HB2 ARG 25 -1.823 10.908 1.535
200 HG2 ARG 25 HG3 ARG 25 -3.291 9.021 2.079
201 HG3 ARG 25 HG2 ARG 25 -2.372 8.744 3.559
202 HD2 ARG 25 HD3 ARG 25 -2.954 11.033 4.288
203 HD3 ARG 25 HD2 ARG 25 -3.955 11.203 2.849
204 HE ARG 25 HE ARG 25 -4.472 9.087 4.834
205 HH11 ARG 25 HH11 ARG 25 -5.568 11.806 2.917
206 HH12 ARG 25 HH12 ARG 25 -7.215 11.667 3.436
207 HH21 ARG 25 HH21 ARG 25 -6.651 8.903 5.511
208 HH22 ARG 25 HH22 ARG 25 -7.831 10.021 4.905
209 HA PRO 26 HA PRO 26 -2.642 8.368 0.258
210 HB2 PRO 26 HB3 PRO 26 -3.420 7.988 -2.489
211 HB3 PRO 26 HB2 PRO 26 -4.255 8.931 -1.249
212 HG2 PRO 26 HG3 PRO 26 -3.076 10.036 -3.455
213 HG3 PRO 26 HG2 PRO 26 -3.280 10.893 -1.913
214 HD2 PRO 26 HD3 PRO 26 -0.849 9.490 -2.989
215 HD3 PRO 26 HD2 PRO 26 -0.969 11.070 -2.180
216 H TYR 27 HN TYR 27 -1.430 6.603 0.824
217 HA TYR 27 HA TYR 27 -1.128 4.449 -1.031
218 HB2 TYR 27 HB3 TYR 27 1.384 5.666 0.143
219 HB3 TYR 27 HB2 TYR 27 1.307 4.181 -0.783
220 HD1 TYR 27 HD1 TYR 27 0.826 4.262 -3.210
221 HD2 TYR 27 HD2 TYR 27 1.434 7.801 -0.934
222 HE1 TYR 27 HE1 TYR 27 1.253 5.509 -5.279
223 HE2 TYR 27 HE2 TYR 27 1.861 9.058 -3.000
224 HH TYR 27 HH TYR 27 2.565 8.653 -5.301
225 H TYR 28 HN TYR 28 -1.243 2.619 0.078
226 HA TYR 28 HA TYR 28 -0.900 2.818 2.977
227 HB2 TYR 28 HB3 TYR 28 -2.366 0.752 3.076
228 HB3 TYR 28 HB2 TYR 28 -3.168 2.242 2.596
229 HD1 TYR 28 HD1 TYR 28 -2.522 -1.175 1.757
230 HD2 TYR 28 HD2 TYR 28 -3.555 2.600 0.060
231 HE1 TYR 28 HE1 TYR 28 -3.408 -2.307 -0.237
232 HE2 TYR 28 HE2 TYR 28 -4.439 1.466 -1.926
233 HH TYR 28 HH TYR 28 -4.210 -0.639 -3.106
234 H TRP 29 HN TRP 29 0.628 1.731 3.890
235 HA TRP 29 HA TRP 29 2.583 0.387 2.351
236 HB2 TRP 29 HB3 TRP 29 3.163 1.673 4.335
237 HB3 TRP 29 HB2 TRP 29 2.187 0.633 5.340
238 HD1 TRP 29 HD1 TRP 29 5.603 0.890 3.731
239 HE1 TRP 29 HE1 TRP 29 7.090 -1.028 4.575
240 HE3 TRP 29 HE3 TRP 29 2.068 -1.829 6.180
241 HZ2 TRP 29 HZ2 TRP 29 6.796 -3.391 6.088
242 HZ3 TRP 29 HZ3 TRP 29 2.741 -3.914 7.305
243 HH2 TRP 29 HH2 TRP 29 5.060 -4.677 7.254
244 H ILE 30 HN ILE 30 2.336 -1.582 1.545
245 HA ILE 30 HA ILE 30 1.105 -3.635 3.260
246 HB ILE 30 HB ILE 30 0.509 -4.823 1.104
247 HG12 ILE 30 HG12 ILE 30 1.059 -2.099 -0.113
248 HG13 ILE 30 HG11 ILE 30 2.025 -3.539 -0.397
249 HG21 ILE 30 HG21 ILE 30 -0.773 -2.137 1.570
250 HG22 ILE 30 HG22 ILE 30 -1.129 -3.615 2.467
251 HG23 ILE 30 HG23 ILE 30 -1.509 -3.514 0.748
252 HD11 ILE 30 HD11 ILE 30 -0.070 -4.586 -1.324
253 HD12 ILE 30 HD12 ILE 30 0.644 -3.278 -2.267
254 HD13 ILE 30 HD13 ILE 30 -0.787 -2.973 -1.268
255 H GLY 31 HN GLY 31 2.966 -4.406 4.146
256 HA2 GLY 31 HA3 GLY 31 4.927 -5.581 4.310
257 HA3 GLY 31 HA2 GLY 31 4.634 -6.145 2.675
258 H THR 32 HN THR 32 7.079 -5.969 2.734
259 HA THR 32 HA THR 32 8.003 -3.196 2.428
260 HB THR 32 HB THR 32 10.305 -4.242 2.733
261 HG1 THR 32 HG2 THR 32 8.948 -6.399 3.953
262 HG21 THR 32 HG21 THR 32 10.096 -4.332 5.162
263 HG22 THR 32 HG22 THR 32 8.344 -4.477 5.019
264 HG23 THR 32 HG23 THR 32 9.151 -2.995 4.508
265 H CYS 33 HN CYS 33 9.633 -2.742 0.822
266 HA CYS 33 HA CYS 33 9.543 -4.537 -1.509
267 HB2 CYS 33 HB3 CYS 33 8.220 -2.457 -1.853
268 HB3 CYS 33 HB2 CYS 33 9.666 -1.505 -1.553
269 H ASN 34 HN ASN 34 11.474 -3.507 -3.075
270 HA ASN 34 HA ASN 34 13.693 -3.810 -3.454
271 HB2 ASN 34 HB3 ASN 34 14.224 -2.628 -0.723
272 HB3 ASN 34 HB2 ASN 34 15.242 -2.563 -2.152
273 HD21 ASN 34 HD21 ASN 34 14.431 -0.439 -0.503
274 HD22 ASN 34 HD22 ASN 34 13.471 0.632 -1.436
275 H ASN 35 HN ASN 35 15.672 -4.205 -1.205
276 HA ASN 35 HA ASN 35 15.229 -7.039 -0.859
277 HB2 ASN 35 HB3 ASN 35 17.496 -5.195 -0.152
278 HB3 ASN 35 HB2 ASN 35 17.441 -6.844 0.456
279 HD21 ASN 35 HD21 ASN 35 17.783 -4.837 -2.362
280 HD22 ASN 35 HD22 ASN 35 18.377 -6.078 -3.412
281 H GLY 36 HN GLY 36 14.076 -4.402 0.751
282 HA2 GLY 36 HA3 GLY 36 12.722 -5.654 2.672
283 HA3 GLY 36 HA2 GLY 36 14.306 -5.559 3.412
284 H ILE 37 HN ILE 37 14.897 -2.884 2.310
285 HA ILE 37 HA ILE 37 13.674 -1.528 4.514
286 HB ILE 37 HB ILE 37 15.122 0.373 3.109
287 HG12 ILE 37 HG12 ILE 37 17.367 -0.842 2.946
288 HG13 ILE 37 HG11 ILE 37 16.426 -2.326 2.911
289 HG21 ILE 37 HG21 ILE 37 15.038 0.125 5.515
290 HG22 ILE 37 HG22 ILE 37 16.714 0.139 4.963
291 HG23 ILE 37 HG23 ILE 37 15.944 -1.384 5.409
292 HD11 ILE 37 HD11 ILE 37 17.043 -1.605 0.679
293 HD12 ILE 37 HD12 ILE 37 16.221 -0.067 0.937
294 HD13 ILE 37 HD13 ILE 37 15.294 -1.565 0.895
295 H GLY 38 HN GLY 38 13.318 -1.365 1.005
296 HA2 GLY 38 HA3 GLY 38 11.807 1.020 0.975
297 HA3 GLY 38 HA2 GLY 38 11.841 -0.204 -0.289
298 H SER 39 HN SER 39 9.505 0.924 0.077
299 HA SER 39 HA SER 39 8.009 -0.885 1.835
300 HB2 SER 39 HB3 SER 39 6.382 0.981 2.041
301 HB3 SER 39 HB2 SER 39 7.989 1.385 2.644
302 HG SER 39 HG SER 39 6.570 2.599 0.745
303 H CYS 40 HN CYS 40 6.706 -2.233 0.846
304 HA CYS 40 HA CYS 40 5.895 -1.788 -1.904
305 HB2 CYS 40 HB3 CYS 40 6.444 -4.081 -1.228
306 HB3 CYS 40 HB2 CYS 40 5.257 -4.011 0.069
307 H CYS 41 HN CYS 41 4.414 -0.171 -2.036
308 HA CYS 41 HA CYS 41 2.033 -0.480 -0.346
309 HB2 CYS 41 HB3 CYS 41 3.163 2.132 -1.344
310 HB3 CYS 41 HB2 CYS 41 1.839 1.905 -0.201
311 H ALA 42 HN ALA 42 0.121 0.763 -1.397
312 HA ALA 42 HA ALA 42 0.442 0.863 -4.288
313 HB1 ALA 42 HB1 ALA 42 -0.586 -1.286 -3.858
314 HB2 ALA 42 HB2 ALA 42 -1.756 -0.205 -4.627
315 HB3 ALA 42 HB3 ALA 42 -1.850 -0.507 -2.892
316 H ARG 43 HN ARG 43 -0.710 2.356 -5.378
317 HA ARG 43 HA ARG 43 -1.237 4.734 -4.000
318 HB2 ARG 43 HB3 ARG 43 -0.564 4.477 -6.434
319 HB3 ARG 43 HB2 ARG 43 -2.233 4.048 -6.771
320 HG2 ARG 43 HG3 ARG 43 -1.473 6.645 -5.462
321 HG3 ARG 43 HG2 ARG 43 -1.546 6.446 -7.211
322 HD2 ARG 43 HD3 ARG 43 -3.895 5.839 -7.066
323 HD3 ARG 43 HD2 ARG 43 -3.833 5.948 -5.308
324 HE ARG 43 HE ARG 43 -3.012 8.396 -6.442
325 HH11 ARG 43 HH11 ARG 43 -5.877 6.452 -5.926
326 HH12 ARG 43 HH12 ARG 43 -6.955 7.809 -5.949
327 HH21 ARG 43 HH21 ARG 43 -4.440 10.189 -6.474
328 HH22 ARG 43 HH22 ARG 43 -6.142 9.926 -6.263
329 H GLY 44 HN GLY 44 -2.813 5.034 -2.667
330 HA2 GLY 44 HA3 GLY 44 -5.329 5.560 -3.001
331 HA3 GLY 44 HA2 GLY 44 -5.428 3.811 -3.162
332 H TRP 45 HN TRP 45 -6.824 3.875 -1.304
333 HA TRP 45 HA TRP 45 -5.257 3.712 1.124
334 HB2 TRP 45 HB3 TRP 45 -6.223 6.092 0.871
335 HB3 TRP 45 HB2 TRP 45 -7.781 5.341 1.219
336 HD1 TRP 45 HD1 TRP 45 -8.372 5.285 3.731
337 HE1 TRP 45 HE1 TRP 45 -7.027 5.343 5.927
338 HE3 TRP 45 HE3 TRP 45 -3.674 5.326 1.771
339 HZ2 TRP 45 HZ2 TRP 45 -4.304 5.388 6.709
340 HZ3 TRP 45 HZ3 TRP 45 -1.745 5.382 3.306
341 HH2 TRP 45 HH2 TRP 45 -2.059 5.415 5.727
342 H ARG 46 HN ARG 46 -5.712 1.811 1.922
343 HA ARG 46 HA ARG 46 -8.498 0.902 1.832
344 HB2 ARG 46 HB3 ARG 46 -6.950 -0.669 0.869
345 HB3 ARG 46 HB2 ARG 46 -5.943 -0.629 2.307
346 HG2 ARG 46 HG3 ARG 46 -7.812 -1.613 3.584
347 HG3 ARG 46 HG2 ARG 46 -8.753 -1.699 2.095
348 HD2 ARG 46 HD3 ARG 46 -6.130 -3.081 2.612
349 HD3 ARG 46 HD2 ARG 46 -7.719 -3.842 2.640
350 HE ARG 46 HE ARG 46 -6.971 -2.518 0.165
351 HH11 ARG 46 HH11 ARG 46 -7.309 -5.511 1.944
352 HH12 ARG 46 HH12 ARG 46 -7.048 -6.521 0.548
353 HH21 ARG 46 HH21 ARG 46 -6.653 -3.832 -1.673
354 HH22 ARG 46 HH22 ARG 46 -6.680 -5.559 -1.503
355 H SER 47 HN SER 47 -9.502 0.230 3.660
356 HA SER 47 HA SER 47 -10.183 0.329 5.818
357 HB2 SER 47 HB3 SER 47 -8.095 -1.015 6.220
358 HB3 SER 47 HB2 SER 47 -7.251 0.494 6.552
359 HG SER 47 HG SER 47 -7.902 0.086 8.518
Start of MODEL 9
1 H PCA 1 HT2 PCA 1 -17.571 5.592 -1.911
2 HA PCA 1 HA PCA 1 -15.776 4.453 -2.080
3 HB2 PCA 1 HB2 PCA 1 -15.756 2.372 -1.149
4 HB3 PCA 1 HB3 PCA 1 -16.878 1.743 -2.361
5 HG2 PCA 1 HG2 PCA 1 -17.462 2.975 0.269
6 HG3 PCA 1 HG3 PCA 1 -18.477 1.891 -0.725
7 HT1 PCA 1 HT1 PCA 1 -18.334 4.734 -3.100
8 HA PRO 2 HA PRO 2 -15.852 3.996 -6.567
9 HB2 PRO 2 HB3 PRO 2 -12.974 4.179 -6.537
10 HB3 PRO 2 HB2 PRO 2 -14.139 5.394 -7.069
11 HG2 PRO 2 HG3 PRO 2 -12.538 5.648 -4.849
12 HG3 PRO 2 HG2 PRO 2 -14.076 6.499 -5.078
13 HD2 PRO 2 HD3 PRO 2 -13.480 4.048 -3.469
14 HD3 PRO 2 HD2 PRO 2 -14.571 5.408 -3.105
15 H PHE 3 HN PHE 3 -13.969 2.312 -4.242
16 HA PHE 3 HA PHE 3 -13.990 -0.093 -5.910
17 HB2 PHE 3 HB3 PHE 3 -11.834 -0.725 -5.163
18 HB3 PHE 3 HB2 PHE 3 -11.669 0.990 -5.519
19 HD1 PHE 3 HD1 PHE 3 -11.111 -1.533 -3.136
20 HD2 PHE 3 HD2 PHE 3 -12.052 2.601 -3.490
21 HE1 PHE 3 HE1 PHE 3 -10.324 -1.161 -0.838
22 HE2 PHE 3 HE2 PHE 3 -11.266 2.979 -1.191
23 HZ PHE 3 HZ PHE 3 -10.406 1.095 0.137
24 H ILE 4 HN ILE 4 -13.965 -2.097 -4.455
25 HA ILE 4 HA ILE 4 -15.615 -1.552 -2.110
26 HB ILE 4 HB ILE 4 -16.529 -3.236 -3.574
27 HG12 ILE 4 HG12 ILE 4 -16.628 -5.200 -1.998
28 HG13 ILE 4 HG11 ILE 4 -15.415 -4.387 -1.015
29 HG21 ILE 4 HG21 ILE 4 -15.381 -5.379 -3.984
30 HG22 ILE 4 HG22 ILE 4 -13.933 -4.718 -3.224
31 HG23 ILE 4 HG23 ILE 4 -14.557 -3.999 -4.708
32 HD11 ILE 4 HD11 ILE 4 -18.156 -3.326 -1.664
33 HD12 ILE 4 HD12 ILE 4 -16.943 -2.517 -0.673
34 HD13 ILE 4 HD13 ILE 4 -17.648 -4.039 -0.132
35 HA PRO 5 HA PRO 5 -11.921 -1.725 0.510
36 HB2 PRO 5 HB3 PRO 5 -13.640 -2.321 2.709
37 HB3 PRO 5 HB2 PRO 5 -12.861 -0.787 2.328
38 HG2 PRO 5 HG3 PRO 5 -15.619 -1.697 1.761
39 HG3 PRO 5 HG2 PRO 5 -14.999 -0.052 1.988
40 HD2 PRO 5 HD3 PRO 5 -15.716 -0.948 -0.426
41 HD3 PRO 5 HD2 PRO 5 -14.325 0.132 -0.223
42 H ARG 6 HN ARG 6 -10.690 -3.431 0.726
43 HA ARG 6 HA ARG 6 -11.904 -6.068 1.222
44 HB2 ARG 6 HB3 ARG 6 -9.595 -5.384 -0.618
45 HB3 ARG 6 HB2 ARG 6 -10.131 -7.017 -0.246
46 HG2 ARG 6 HG3 ARG 6 -12.187 -6.699 -1.365
47 HG3 ARG 6 HG2 ARG 6 -11.932 -4.958 -1.483
48 HD2 ARG 6 HD3 ARG 6 -11.511 -5.957 -3.627
49 HD3 ARG 6 HD2 ARG 6 -9.988 -5.385 -2.947
50 HE ARG 6 HE ARG 6 -10.464 -8.127 -2.332
51 HH11 ARG 6 HH11 ARG 6 -9.364 -5.963 -4.848
52 HH12 ARG 6 HH12 ARG 6 -8.403 -7.169 -5.643
53 HH21 ARG 6 HH21 ARG 6 -9.215 -9.722 -3.369
54 HH22 ARG 6 HH22 ARG 6 -8.322 -9.322 -4.800
55 HA PRO 7 HA PRO 7 -9.086 -6.761 4.586
56 HB2 PRO 7 HB3 PRO 7 -7.941 -9.047 3.047
57 HB3 PRO 7 HB2 PRO 7 -8.540 -8.996 4.709
58 HG2 PRO 7 HG3 PRO 7 -9.999 -10.102 2.781
59 HG3 PRO 7 HG2 PRO 7 -10.760 -9.132 4.057
60 HD2 PRO 7 HD3 PRO 7 -10.214 -8.435 1.212
61 HD3 PRO 7 HD2 PRO 7 -11.570 -7.958 2.250
62 H ILE 8 HN ILE 8 -7.347 -5.688 5.046
63 HA ILE 8 HA ILE 8 -5.421 -4.957 3.025
64 HB ILE 8 HB ILE 8 -5.488 -4.321 5.979
65 HG12 ILE 8 HG12 ILE 8 -6.362 -2.615 3.642
66 HG13 ILE 8 HG11 ILE 8 -7.463 -3.506 4.685
67 HG21 ILE 8 HG21 ILE 8 -3.909 -3.059 3.734
68 HG22 ILE 8 HG22 ILE 8 -3.257 -4.081 5.015
69 HG23 ILE 8 HG23 ILE 8 -3.939 -2.504 5.409
70 HD11 ILE 8 HD11 ILE 8 -6.728 -2.181 6.592
71 HD12 ILE 8 HD12 ILE 8 -7.360 -1.164 5.297
72 HD13 ILE 8 HD13 ILE 8 -5.618 -1.293 5.549
73 H ASP 9 HN ASP 9 -3.766 -6.252 2.554
74 HA ASP 9 HA ASP 9 -2.497 -7.724 4.752
75 HB2 ASP 9 HB3 ASP 9 -3.975 -9.106 3.025
76 HB3 ASP 9 HB2 ASP 9 -2.513 -8.982 2.043
77 H THR 10 HN THR 10 -0.293 -8.436 4.177
78 HA THR 10 HA THR 10 1.341 -6.344 3.357
79 HB THR 10 HB THR 10 3.097 -8.214 3.166
80 HG1 THR 10 HG2 THR 10 0.761 -9.642 3.612
81 HG21 THR 10 HG21 THR 10 3.171 -8.436 5.624
82 HG22 THR 10 HG22 THR 10 1.545 -7.757 5.711
83 HG23 THR 10 HG23 THR 10 2.876 -6.775 5.104
84 H CYS 11 HN CYS 11 3.230 -7.138 1.702
85 HA CYS 11 HA CYS 11 2.277 -6.226 -0.741
86 HB2 CYS 11 HB3 CYS 11 4.592 -6.006 0.183
87 HB3 CYS 11 HB2 CYS 11 4.867 -7.686 -0.247
88 H ARG 12 HN ARG 12 1.767 -9.283 0.395
89 HA ARG 12 HA ARG 12 1.916 -10.875 -1.894
90 HB2 ARG 12 HB3 ARG 12 0.517 -12.344 -0.833
91 HB3 ARG 12 HB2 ARG 12 1.134 -11.432 0.531
92 HG2 ARG 12 HG3 ARG 12 -0.877 -10.208 0.736
93 HG3 ARG 12 HG2 ARG 12 -1.477 -10.831 -0.809
94 HD2 ARG 12 HD3 ARG 12 -2.554 -12.121 0.842
95 HD3 ARG 12 HD2 ARG 12 -1.257 -13.122 0.180
96 HE ARG 12 HE ARG 12 -0.961 -11.641 2.719
97 HH11 ARG 12 HH11 ARG 12 -0.648 -14.587 0.831
98 HH12 ARG 12 HH12 ARG 12 0.071 -15.484 2.128
99 HH21 ARG 12 HH21 ARG 12 -0.024 -12.833 4.416
100 HH22 ARG 12 HH22 ARG 12 0.429 -14.488 4.163
101 H LEU 13 HN LEU 13 -0.399 -8.385 -0.918
102 HA LEU 13 HA LEU 13 -1.526 -8.329 -3.603
103 HB2 LEU 13 HB3 LEU 13 -1.928 -6.689 -1.110
104 HB3 LEU 13 HB2 LEU 13 -2.455 -6.076 -2.661
105 HG LEU 13 HG LEU 13 -4.353 -7.033 -1.609
106 HD11 LEU 13 HD11 LEU 13 -3.375 -9.090 -3.576
107 HD12 LEU 13 HD12 LEU 13 -4.032 -7.517 -4.023
108 HD13 LEU 13 HD13 LEU 13 -5.048 -8.690 -3.184
109 HD21 LEU 13 HD21 LEU 13 -2.743 -9.543 -1.224
110 HD22 LEU 13 HD22 LEU 13 -4.438 -9.320 -0.793
111 HD23 LEU 13 HD23 LEU 13 -3.186 -8.402 0.043
112 H ARG 14 HN ARG 14 -0.488 -7.193 -5.220
113 HA ARG 14 HA ARG 14 1.690 -5.449 -4.362
114 HB2 ARG 14 HB3 ARG 14 2.518 -7.661 -4.821
115 HB3 ARG 14 HB2 ARG 14 1.682 -7.702 -6.363
116 HG2 ARG 14 HG3 ARG 14 3.898 -7.268 -6.885
117 HG3 ARG 14 HG2 ARG 14 3.051 -5.722 -7.004
118 HD2 ARG 14 HD3 ARG 14 3.839 -5.118 -4.765
119 HD3 ARG 14 HD2 ARG 14 4.728 -6.642 -4.676
120 HE ARG 14 HE ARG 14 5.358 -4.931 -6.936
121 HH11 ARG 14 HH11 ARG 14 6.220 -5.949 -3.702
122 HH12 ARG 14 HH12 ARG 14 7.873 -5.442 -3.848
123 HH21 ARG 14 HH21 ARG 14 7.506 -4.238 -7.127
124 HH22 ARG 14 HH22 ARG 14 8.602 -4.444 -5.799
125 H ASN 15 HN ASN 15 2.605 -4.162 -6.137
126 HA ASN 15 HA ASN 15 2.722 -2.994 -8.046
127 HB2 ASN 15 HB3 ASN 15 0.506 -4.840 -8.902
128 HB3 ASN 15 HB2 ASN 15 1.135 -3.569 -9.947
129 HD21 ASN 15 HD21 ASN 15 1.199 -6.450 -10.306
130 HD22 ASN 15 HD22 ASN 15 2.865 -6.878 -10.460
131 H GLY 16 HN GLY 16 1.856 -1.480 -6.242
132 HA2 GLY 16 HA3 GLY 16 -0.192 0.017 -7.740
133 HA3 GLY 16 HA2 GLY 16 -0.190 -0.001 -5.983
134 H ILE 17 HN ILE 17 2.309 0.459 -5.193
135 HA ILE 17 HA ILE 17 4.063 1.641 -7.062
136 HB ILE 17 HB ILE 17 2.710 3.573 -5.209
137 HG12 ILE 17 HG12 ILE 17 3.898 3.748 -7.995
138 HG13 ILE 17 HG11 ILE 17 2.189 3.664 -7.589
139 HG21 ILE 17 HG21 ILE 17 5.584 3.849 -6.085
140 HG22 ILE 17 HG22 ILE 17 5.045 3.506 -4.440
141 HG23 ILE 17 HG23 ILE 17 4.637 5.047 -5.200
142 HD11 ILE 17 HD11 ILE 17 4.028 5.933 -6.864
143 HD12 ILE 17 HD12 ILE 17 2.291 5.855 -6.581
144 HD13 ILE 17 HD13 ILE 17 2.911 5.916 -8.228
145 H CYS 18 HN CYS 18 6.129 1.169 -6.414
146 HA CYS 18 HA CYS 18 6.548 0.391 -3.626
147 HB2 CYS 18 HB3 CYS 18 7.429 -1.222 -5.117
148 HB3 CYS 18 HB2 CYS 18 8.135 0.005 -6.162
149 H PHE 19 HN PHE 19 7.441 1.760 -2.219
150 HA PHE 19 HA PHE 19 8.778 4.165 -3.264
151 HB2 PHE 19 HB3 PHE 19 7.206 3.587 -0.790
152 HB3 PHE 19 HB2 PHE 19 8.436 4.838 -0.732
153 HD1 PHE 19 HD1 PHE 19 5.174 3.888 -1.951
154 HD2 PHE 19 HD2 PHE 19 8.204 6.860 -2.092
155 HE1 PHE 19 HE1 PHE 19 3.555 5.484 -2.898
156 HE2 PHE 19 HE2 PHE 19 6.598 8.470 -3.033
157 HZ PHE 19 HZ PHE 19 4.267 7.783 -3.433
158 HA PRO 20 HA PRO 20 12.483 2.611 -1.219
159 HB2 PRO 20 HB3 PRO 20 14.095 4.647 -1.981
160 HB3 PRO 20 HB2 PRO 20 13.710 3.293 -3.050
161 HG2 PRO 20 HG3 PRO 20 12.566 6.054 -3.002
162 HG3 PRO 20 HG2 PRO 20 12.988 5.040 -4.392
163 HD2 PRO 20 HD3 PRO 20 10.434 5.355 -3.453
164 HD3 PRO 20 HD2 PRO 20 10.991 3.915 -4.330
165 H GLY 21 HN GLY 21 11.875 2.897 0.873
166 HA2 GLY 21 HA3 GLY 21 12.486 4.486 2.764
167 HA3 GLY 21 HA2 GLY 21 11.513 5.645 1.864
168 H ILE 22 HN ILE 22 9.573 5.908 2.792
169 HA ILE 22 HA ILE 22 8.018 3.529 3.484
170 HB ILE 22 HB ILE 22 7.185 4.699 5.570
171 HG12 ILE 22 HG12 ILE 22 9.750 6.269 5.239
172 HG13 ILE 22 HG11 ILE 22 8.128 6.927 5.039
173 HG21 ILE 22 HG21 ILE 22 10.042 3.753 5.524
174 HG22 ILE 22 HG22 ILE 22 8.605 2.743 5.672
175 HG23 ILE 22 HG23 ILE 22 9.023 3.877 6.957
176 HD11 ILE 22 HD11 ILE 22 9.055 7.492 7.210
177 HD12 ILE 22 HD12 ILE 22 9.265 5.780 7.580
178 HD13 ILE 22 HD13 ILE 22 7.645 6.448 7.379
179 H CYS 23 HN CYS 23 5.806 3.777 3.309
180 HA CYS 23 HA CYS 23 4.851 6.025 1.812
181 HB2 CYS 23 HB3 CYS 23 3.776 3.350 2.634
182 HB3 CYS 23 HB2 CYS 23 2.698 4.574 2.027
183 H ARG 24 HN ARG 24 3.250 7.435 2.453
184 HA ARG 24 HA ARG 24 2.200 7.168 5.167
185 HB2 ARG 24 HB3 ARG 24 2.591 9.630 5.531
186 HB3 ARG 24 HB2 ARG 24 4.036 8.626 5.528
187 HG2 ARG 24 HG3 ARG 24 4.585 9.331 3.294
188 HG3 ARG 24 HG2 ARG 24 3.069 10.224 3.163
189 HD2 ARG 24 HD3 ARG 24 5.255 10.804 5.156
190 HD3 ARG 24 HD2 ARG 24 5.011 11.673 3.640
191 HE ARG 24 HE ARG 24 2.605 11.758 5.017
192 HH11 ARG 24 HH11 ARG 24 5.878 12.907 5.471
193 HH12 ARG 24 HH12 ARG 24 5.397 14.287 6.405
194 HH21 ARG 24 HH21 ARG 24 1.966 13.562 6.231
195 HH22 ARG 24 HH22 ARG 24 3.163 14.663 6.839
196 H ARG 25 HN ARG 25 1.951 8.818 2.013
197 HA ARG 25 HA ARG 25 -0.798 8.485 1.763
198 HB2 ARG 25 HB3 ARG 25 -0.041 10.957 3.213
199 HB3 ARG 25 HB2 ARG 25 -1.187 11.168 1.902
200 HG2 ARG 25 HG3 ARG 25 -1.521 9.401 4.321
201 HG3 ARG 25 HG2 ARG 25 -2.362 10.914 3.988
202 HD2 ARG 25 HD3 ARG 25 -3.361 9.862 1.977
203 HD3 ARG 25 HD2 ARG 25 -2.588 8.343 2.427
204 HE ARG 25 HE ARG 25 -4.013 9.033 4.637
205 HH11 ARG 25 HH11 ARG 25 -4.812 8.592 1.257
206 HH12 ARG 25 HH12 ARG 25 -6.429 8.063 1.576
207 HH21 ARG 25 HH21 ARG 25 -6.156 8.324 5.056
208 HH22 ARG 25 HH22 ARG 25 -7.193 7.919 3.726
209 HA PRO 26 HA PRO 26 -2.229 8.698 0.626
210 HB2 PRO 26 HB3 PRO 26 -3.578 8.571 -1.624
211 HB3 PRO 26 HB2 PRO 26 -3.279 10.140 -0.883
212 HG2 PRO 26 HG3 PRO 26 -1.788 8.857 -3.126
213 HG3 PRO 26 HG2 PRO 26 -2.484 10.493 -3.051
214 HD2 PRO 26 HD3 PRO 26 0.133 9.929 -2.470
215 HD3 PRO 26 HD2 PRO 26 -0.752 11.300 -1.781
216 H TYR 27 HN TYR 27 -1.278 6.720 1.114
217 HA TYR 27 HA TYR 27 -1.252 4.648 -0.865
218 HB2 TYR 27 HB3 TYR 27 1.403 5.497 0.346
219 HB3 TYR 27 HB2 TYR 27 1.146 4.094 -0.684
220 HD1 TYR 27 HD1 TYR 27 0.875 4.359 -3.099
221 HD2 TYR 27 HD2 TYR 27 1.404 7.732 -0.564
222 HE1 TYR 27 HE1 TYR 27 1.259 5.785 -5.061
223 HE2 TYR 27 HE2 TYR 27 1.763 9.160 -2.506
224 HH TYR 27 HH TYR 27 2.548 8.907 -4.856
225 H TYR 28 HN TYR 28 -1.277 2.667 0.105
226 HA TYR 28 HA TYR 28 -1.081 2.709 3.023
227 HB2 TYR 28 HB3 TYR 28 -2.546 0.667 2.975
228 HB3 TYR 28 HB2 TYR 28 -3.328 2.149 2.448
229 HD1 TYR 28 HD1 TYR 28 -2.596 -1.247 1.640
230 HD2 TYR 28 HD2 TYR 28 -3.549 2.528 -0.107
231 HE1 TYR 28 HE1 TYR 28 -3.359 -2.379 -0.406
232 HE2 TYR 28 HE2 TYR 28 -4.304 1.396 -2.143
233 HH TYR 28 HH TYR 28 -4.019 -0.691 -3.313
234 H TRP 29 HN TRP 29 0.422 1.569 3.929
235 HA TRP 29 HA TRP 29 2.447 0.358 2.373
236 HB2 TRP 29 HB3 TRP 29 2.923 1.495 4.480
237 HB3 TRP 29 HB2 TRP 29 1.947 0.343 5.358
238 HD1 TRP 29 HD1 TRP 29 5.389 0.796 3.817
239 HE1 TRP 29 HE1 TRP 29 6.908 -1.134 4.562
240 HE3 TRP 29 HE3 TRP 29 1.885 -2.146 6.050
241 HZ2 TRP 29 HZ2 TRP 29 6.646 -3.597 5.925
242 HZ3 TRP 29 HZ3 TRP 29 2.591 -4.283 7.055
243 HH2 TRP 29 HH2 TRP 29 4.927 -4.992 6.985
244 H ILE 30 HN ILE 30 2.214 -1.519 1.396
245 HA ILE 30 HA ILE 30 1.008 -3.730 2.917
246 HB ILE 30 HB ILE 30 0.602 -4.776 0.610
247 HG12 ILE 30 HG12 ILE 30 0.845 -1.899 -0.293
248 HG13 ILE 30 HG11 ILE 30 2.052 -3.130 -0.635
249 HG21 ILE 30 HG21 ILE 30 -0.934 -2.281 1.311
250 HG22 ILE 30 HG22 ILE 30 -1.170 -3.868 2.044
251 HG23 ILE 30 HG23 ILE 30 -1.519 -3.627 0.332
252 HD11 ILE 30 HD11 ILE 30 0.377 -4.380 -1.907
253 HD12 ILE 30 HD12 ILE 30 0.624 -2.753 -2.543
254 HD13 ILE 30 HD13 ILE 30 -0.806 -3.112 -1.571
255 H GLY 31 HN GLY 31 2.876 -4.472 3.828
256 HA2 GLY 31 HA3 GLY 31 4.835 -5.657 3.980
257 HA3 GLY 31 HA2 GLY 31 4.612 -6.103 2.300
258 H THR 32 HN THR 32 7.073 -5.898 2.526
259 HA THR 32 HA THR 32 7.914 -3.092 2.267
260 HB THR 32 HB THR 32 10.248 -4.199 2.649
261 HG1 THR 32 HG2 THR 32 9.049 -6.011 4.318
262 HG21 THR 32 HG21 THR 32 8.240 -3.965 4.886
263 HG22 THR 32 HG22 THR 32 9.134 -2.625 4.171
264 HG23 THR 32 HG23 THR 32 9.995 -3.890 5.049
265 H CYS 33 HN CYS 33 9.739 -2.670 0.795
266 HA CYS 33 HA CYS 33 9.715 -4.424 -1.560
267 HB2 CYS 33 HB3 CYS 33 8.158 -2.498 -1.847
268 HB3 CYS 33 HB2 CYS 33 9.507 -1.397 -1.622
269 H ASN 34 HN ASN 34 11.455 -3.345 -3.174
270 HA ASN 34 HA ASN 34 13.639 -3.280 -3.693
271 HB2 ASN 34 HB3 ASN 34 14.351 -2.086 -1.026
272 HB3 ASN 34 HB2 ASN 34 15.083 -1.809 -2.594
273 HD21 ASN 34 HD21 ASN 34 14.163 0.030 -0.613
274 HD22 ASN 34 HD22 ASN 34 12.955 0.998 -1.351
275 H ASN 35 HN ASN 35 14.154 -3.650 -0.209
276 HA ASN 35 HA ASN 35 14.826 -6.443 -0.469
277 HB2 ASN 35 HB3 ASN 35 16.926 -4.365 0.188
278 HB3 ASN 35 HB2 ASN 35 17.100 -6.059 0.621
279 HD21 ASN 35 HD21 ASN 35 17.236 -3.721 -1.895
280 HD22 ASN 35 HD22 ASN 35 17.811 -4.774 -3.138
281 H GLY 36 HN GLY 36 12.934 -4.676 0.938
282 HA2 GLY 36 HA3 GLY 36 11.949 -5.353 3.036
283 HA3 GLY 36 HA2 GLY 36 13.569 -5.580 3.673
284 H ILE 37 HN ILE 37 14.270 -2.921 2.298
285 HA ILE 37 HA ILE 37 13.750 -1.346 4.634
286 HB ILE 37 HB ILE 37 14.944 -0.028 2.270
287 HG12 ILE 37 HG12 ILE 37 17.182 -1.193 3.165
288 HG13 ILE 37 HG11 ILE 37 16.057 -2.510 3.482
289 HG21 ILE 37 HG21 ILE 37 16.460 0.829 3.978
290 HG22 ILE 37 HG22 ILE 37 15.709 -0.231 5.168
291 HG23 ILE 37 HG23 ILE 37 14.772 1.066 4.427
292 HD11 ILE 37 HD11 ILE 37 16.485 -1.175 0.821
293 HD12 ILE 37 HD12 ILE 37 15.396 -2.522 1.143
294 HD13 ILE 37 HD13 ILE 37 17.137 -2.736 1.313
295 H GLY 38 HN GLY 38 13.146 -0.817 1.148
296 HA2 GLY 38 HA3 GLY 38 11.499 1.432 1.584
297 HA3 GLY 38 HA2 GLY 38 11.667 0.542 0.077
298 H SER 39 HN SER 39 9.278 1.387 0.416
299 HA SER 39 HA SER 39 7.775 -0.633 1.912
300 HB2 SER 39 HB3 SER 39 5.986 1.076 1.986
301 HB3 SER 39 HB2 SER 39 7.493 1.628 2.711
302 HG SER 39 HG SER 39 6.189 2.523 0.454
303 H CYS 40 HN CYS 40 6.688 -2.070 0.797
304 HA CYS 40 HA CYS 40 5.987 -1.622 -1.979
305 HB2 CYS 40 HB3 CYS 40 6.602 -3.899 -1.240
306 HB3 CYS 40 HB2 CYS 40 5.303 -3.877 -0.055
307 H CYS 41 HN CYS 41 4.323 -0.289 -2.364
308 HA CYS 41 HA CYS 41 2.005 -0.478 -0.586
309 HB2 CYS 41 HB3 CYS 41 3.023 2.070 -1.823
310 HB3 CYS 41 HB2 CYS 41 1.726 1.895 -0.645
311 H ALA 42 HN ALA 42 0.076 0.639 -1.640
312 HA ALA 42 HA ALA 42 0.331 0.753 -4.537
313 HB1 ALA 42 HB1 ALA 42 -1.950 -0.210 -4.777
314 HB2 ALA 42 HB2 ALA 42 -1.937 -0.563 -3.048
315 HB3 ALA 42 HB3 ALA 42 -0.770 -1.352 -4.120
316 H ARG 43 HN ARG 43 -0.686 2.400 -5.524
317 HA ARG 43 HA ARG 43 -0.995 4.710 -3.970
318 HB2 ARG 43 HB3 ARG 43 -0.268 4.781 -6.302
319 HB3 ARG 43 HB2 ARG 43 -1.835 4.190 -6.826
320 HG2 ARG 43 HG3 ARG 43 -1.714 6.710 -5.249
321 HG3 ARG 43 HG2 ARG 43 -1.234 6.737 -6.947
322 HD2 ARG 43 HD3 ARG 43 -3.412 5.699 -7.525
323 HD3 ARG 43 HD2 ARG 43 -3.882 5.822 -5.832
324 HE ARG 43 HE ARG 43 -3.132 8.369 -6.726
325 HH11 ARG 43 HH11 ARG 43 -5.629 5.978 -7.259
326 HH12 ARG 43 HH12 ARG 43 -6.839 7.145 -7.696
327 HH21 ARG 43 HH21 ARG 43 -4.728 9.915 -7.321
328 HH22 ARG 43 HH22 ARG 43 -6.318 9.373 -7.758
329 H GLY 44 HN GLY 44 -2.545 5.086 -2.617
330 HA2 GLY 44 HA3 GLY 44 -4.946 5.946 -2.869
331 HA3 GLY 44 HA2 GLY 44 -5.281 4.281 -3.310
332 H TRP 45 HN TRP 45 -6.685 4.022 -1.610
333 HA TRP 45 HA TRP 45 -5.343 3.431 0.902
334 HB2 TRP 45 HB3 TRP 45 -6.401 5.811 0.882
335 HB3 TRP 45 HB2 TRP 45 -7.936 4.950 0.970
336 HD1 TRP 45 HD1 TRP 45 -8.764 4.566 3.366
337 HE1 TRP 45 HE1 TRP 45 -7.663 4.424 5.690
338 HE3 TRP 45 HE3 TRP 45 -3.888 5.016 1.949
339 HZ2 TRP 45 HZ2 TRP 45 -5.050 4.494 6.774
340 HZ3 TRP 45 HZ3 TRP 45 -2.142 4.973 3.692
341 HH2 TRP 45 HH2 TRP 45 -2.717 4.718 6.049
342 H ARG 46 HN ARG 46 -5.947 1.451 1.499
343 HA ARG 46 HA ARG 46 -8.483 0.432 0.456
344 HB2 ARG 46 HB3 ARG 46 -6.737 -0.992 -0.147
345 HB3 ARG 46 HB2 ARG 46 -6.006 -0.949 1.450
346 HG2 ARG 46 HG3 ARG 46 -7.898 -2.234 2.327
347 HG3 ARG 46 HG2 ARG 46 -8.630 -2.252 0.723
348 HD2 ARG 46 HD3 ARG 46 -5.942 -3.439 1.414
349 HD3 ARG 46 HD2 ARG 46 -7.443 -4.354 1.275
350 HE ARG 46 HE ARG 46 -6.605 -2.789 -1.046
351 HH11 ARG 46 HH11 ARG 46 -6.834 -5.944 0.486
352 HH12 ARG 46 HH12 ARG 46 -6.611 -6.814 -0.999
353 HH21 ARG 46 HH21 ARG 46 -6.290 -3.934 -2.987
354 HH22 ARG 46 HH22 ARG 46 -6.299 -5.669 -2.976
355 H SER 47 HN SER 47 -10.096 0.077 1.657
356 HA SER 47 HA SER 47 -11.520 0.153 3.429
357 HB2 SER 47 HB3 SER 47 -9.350 -1.546 4.667
358 HB3 SER 47 HB2 SER 47 -11.056 -1.533 5.117
359 HG SER 47 HG SER 47 -10.184 -3.204 3.534
Start of MODEL 10
1 H PCA 1 HT2 PCA 1 -13.114 9.098 1.430
2 HA PCA 1 HA PCA 1 -12.896 7.147 0.607
3 HB2 PCA 1 HB2 PCA 1 -13.516 5.421 1.945
4 HB3 PCA 1 HB3 PCA 1 -15.229 5.751 1.662
5 HG2 PCA 1 HG2 PCA 1 -13.532 6.619 3.888
6 HG3 PCA 1 HG3 PCA 1 -15.310 6.691 3.737
7 HT1 PCA 1 HT1 PCA 1 -14.738 9.141 1.133
8 HA PRO 2 HA PRO 2 -15.930 7.559 -2.727
9 HB2 PRO 2 HB3 PRO 2 -14.086 6.189 -4.453
10 HB3 PRO 2 HB2 PRO 2 -14.475 7.913 -4.434
11 HG2 PRO 2 HG3 PRO 2 -12.026 6.853 -3.736
12 HG3 PRO 2 HG2 PRO 2 -12.629 8.434 -3.211
13 HD2 PRO 2 HD3 PRO 2 -12.582 5.834 -1.732
14 HD3 PRO 2 HD2 PRO 2 -12.286 7.482 -1.136
15 H PHE 3 HN PHE 3 -14.252 4.861 -1.498
16 HA PHE 3 HA PHE 3 -16.482 3.094 -2.152
17 HB2 PHE 3 HB3 PHE 3 -15.052 1.297 -2.782
18 HB3 PHE 3 HB2 PHE 3 -14.399 2.690 -3.637
19 HD1 PHE 3 HD1 PHE 3 -13.693 0.024 -1.414
20 HD2 PHE 3 HD2 PHE 3 -12.450 3.942 -2.510
21 HE1 PHE 3 HE1 PHE 3 -11.529 -0.361 -0.321
22 HE2 PHE 3 HE2 PHE 3 -10.277 3.561 -1.420
23 HZ PHE 3 HZ PHE 3 -9.826 1.408 -0.314
24 H ILE 4 HN ILE 4 -16.539 1.256 -0.536
25 HA ILE 4 HA ILE 4 -15.667 2.233 2.048
26 HB ILE 4 HB ILE 4 -17.936 1.399 1.945
27 HG12 ILE 4 HG12 ILE 4 -17.794 -0.433 3.713
28 HG13 ILE 4 HG11 ILE 4 -16.046 -0.316 3.550
29 HG21 ILE 4 HG21 ILE 4 -18.445 -0.970 1.534
30 HG22 ILE 4 HG22 ILE 4 -16.756 -1.237 1.093
31 HG23 ILE 4 HG23 ILE 4 -17.765 -0.166 0.119
32 HD11 ILE 4 HD11 ILE 4 -16.805 0.975 5.437
33 HD12 ILE 4 HD12 ILE 4 -17.909 1.884 4.408
34 HD13 ILE 4 HD13 ILE 4 -16.171 2.050 4.195
35 HA PRO 5 HA PRO 5 -11.791 0.025 1.736
36 HB2 PRO 5 HB3 PRO 5 -11.325 0.210 4.490
37 HB3 PRO 5 HB2 PRO 5 -10.788 1.357 3.259
38 HG2 PRO 5 HG3 PRO 5 -13.188 1.470 5.033
39 HG3 PRO 5 HG2 PRO 5 -12.112 2.780 4.514
40 HD2 PRO 5 HD3 PRO 5 -14.497 2.503 3.400
41 HD3 PRO 5 HD2 PRO 5 -13.092 2.907 2.398
42 H ARG 6 HN ARG 6 -11.355 -2.044 1.809
43 HA ARG 6 HA ARG 6 -12.975 -3.807 3.522
44 HB2 ARG 6 HB3 ARG 6 -11.516 -4.380 0.930
45 HB3 ARG 6 HB2 ARG 6 -12.467 -5.544 1.833
46 HG2 ARG 6 HG3 ARG 6 -14.480 -4.496 1.306
47 HG3 ARG 6 HG2 ARG 6 -13.678 -2.997 0.834
48 HD2 ARG 6 HD3 ARG 6 -14.496 -4.259 -1.105
49 HD3 ARG 6 HD2 ARG 6 -12.744 -4.077 -1.120
50 HE ARG 6 HE ARG 6 -13.719 -6.547 0.033
51 HH11 ARG 6 HH11 ARG 6 -12.562 -4.897 -2.826
52 HH12 ARG 6 HH12 ARG 6 -12.145 -6.358 -3.660
53 HH21 ARG 6 HH21 ARG 6 -13.169 -8.481 -1.064
54 HH22 ARG 6 HH22 ARG 6 -12.501 -8.401 -2.663
55 HA PRO 7 HA PRO 7 -9.491 -5.576 5.762
56 HB2 PRO 7 HB3 PRO 7 -9.711 -7.964 3.966
57 HB3 PRO 7 HB2 PRO 7 -9.501 -7.897 5.720
58 HG2 PRO 7 HG3 PRO 7 -11.891 -8.400 4.665
59 HG3 PRO 7 HG2 PRO 7 -11.729 -7.373 6.101
60 HD2 PRO 7 HD3 PRO 7 -12.368 -6.623 3.309
61 HD3 PRO 7 HD2 PRO 7 -12.821 -5.822 4.823
62 H ILE 8 HN ILE 8 -7.411 -5.182 5.553
63 HA ILE 8 HA ILE 8 -6.331 -4.402 3.061
64 HB ILE 8 HB ILE 8 -4.988 -4.793 5.730
65 HG12 ILE 8 HG12 ILE 8 -6.018 -2.312 4.336
66 HG13 ILE 8 HG11 ILE 8 -6.733 -3.079 5.748
67 HG21 ILE 8 HG21 ILE 8 -3.355 -4.913 3.914
68 HG22 ILE 8 HG22 ILE 8 -3.163 -3.421 4.836
69 HG23 ILE 8 HG23 ILE 8 -3.957 -3.390 3.262
70 HD11 ILE 8 HD11 ILE 8 -4.011 -1.804 5.634
71 HD12 ILE 8 HD12 ILE 8 -4.760 -2.536 7.053
72 HD13 ILE 8 HD13 ILE 8 -5.463 -1.089 6.333
73 H ASP 9 HN ASP 9 -5.545 -5.609 1.546
74 HA ASP 9 HA ASP 9 -4.661 -8.319 1.984
75 HB2 ASP 9 HB3 ASP 9 -4.678 -6.556 -0.476
76 HB3 ASP 9 HB2 ASP 9 -4.075 -8.208 -0.473
77 H THR 10 HN THR 10 -2.515 -9.014 1.133
78 HA THR 10 HA THR 10 -0.415 -7.210 2.035
79 HB THR 10 HB THR 10 1.095 -9.139 1.482
80 HG1 THR 10 HG2 THR 10 -1.035 -10.901 1.347
81 HG21 THR 10 HG21 THR 10 0.219 -8.813 3.742
82 HG22 THR 10 HG22 THR 10 0.366 -10.530 3.362
83 HG23 THR 10 HG23 THR 10 -1.215 -9.749 3.326
84 H CYS 11 HN CYS 11 1.679 -7.541 0.379
85 HA CYS 11 HA CYS 11 1.269 -6.305 -2.058
86 HB2 CYS 11 HB3 CYS 11 3.285 -8.497 -1.544
87 HB3 CYS 11 HB2 CYS 11 3.370 -7.280 -2.807
88 H ARG 12 HN ARG 12 0.031 -9.261 -1.118
89 HA ARG 12 HA ARG 12 -0.592 -10.925 -3.070
90 HB2 ARG 12 HB3 ARG 12 -1.799 -10.233 -0.833
91 HB3 ARG 12 HB2 ARG 12 -2.840 -9.326 -1.916
92 HG2 ARG 12 HG3 ARG 12 -2.960 -11.671 -3.141
93 HG3 ARG 12 HG2 ARG 12 -2.578 -12.222 -1.503
94 HD2 ARG 12 HD3 ARG 12 -4.479 -11.044 -0.614
95 HD3 ARG 12 HD2 ARG 12 -4.818 -10.359 -2.201
96 HE ARG 12 HE ARG 12 -4.844 -13.138 -2.447
97 HH11 ARG 12 HH11 ARG 12 -6.706 -10.653 -0.799
98 HH12 ARG 12 HH12 ARG 12 -8.195 -11.547 -0.905
99 HH21 ARG 12 HH21 ARG 12 -6.809 -14.292 -2.564
100 HH22 ARG 12 HH22 ARG 12 -8.251 -13.601 -1.896
101 H LEU 13 HN LEU 13 -1.715 -7.577 -2.959
102 HA LEU 13 HA LEU 13 -2.247 -7.667 -5.847
103 HB2 LEU 13 HB3 LEU 13 -3.460 -6.016 -3.636
104 HB3 LEU 13 HB2 LEU 13 -3.590 -5.547 -5.315
105 HG LEU 13 HG LEU 13 -4.742 -7.724 -5.767
106 HD11 LEU 13 HD11 LEU 13 -3.929 -9.011 -3.881
107 HD12 LEU 13 HD12 LEU 13 -5.692 -8.933 -3.857
108 HD13 LEU 13 HD13 LEU 13 -4.749 -7.922 -2.760
109 HD21 LEU 13 HD21 LEU 13 -6.872 -7.016 -4.807
110 HD22 LEU 13 HD22 LEU 13 -5.981 -5.651 -5.479
111 HD23 LEU 13 HD23 LEU 13 -6.021 -5.904 -3.734
112 H ARG 14 HN ARG 14 -0.562 -6.767 -6.919
113 HA ARG 14 HA ARG 14 0.842 -4.592 -5.562
114 HB2 ARG 14 HB3 ARG 14 1.899 -6.902 -7.069
115 HB3 ARG 14 HB2 ARG 14 2.793 -5.402 -7.112
116 HG2 ARG 14 HG3 ARG 14 1.914 -6.659 -4.549
117 HG3 ARG 14 HG2 ARG 14 3.433 -7.094 -5.342
118 HD2 ARG 14 HD3 ARG 14 3.931 -5.413 -3.760
119 HD3 ARG 14 HD2 ARG 14 3.994 -4.674 -5.355
120 HE ARG 14 HE ARG 14 1.495 -4.390 -3.915
121 HH11 ARG 14 HH11 ARG 14 4.642 -3.030 -4.558
122 HH12 ARG 14 HH12 ARG 14 4.138 -1.388 -4.302
123 HH21 ARG 14 HH21 ARG 14 0.798 -2.231 -3.615
124 HH22 ARG 14 HH22 ARG 14 1.955 -0.941 -3.723
125 H ASN 15 HN ASN 15 2.525 -3.785 -7.475
126 HA ASN 15 HA ASN 15 2.709 -2.247 -9.104
127 HB2 ASN 15 HB3 ASN 15 1.443 -4.033 -10.455
128 HB3 ASN 15 HB2 ASN 15 0.022 -3.036 -10.173
129 HD21 ASN 15 HD21 ASN 15 3.167 -3.169 -11.678
130 HD22 ASN 15 HD22 ASN 15 2.903 -1.873 -12.793
131 H GLY 16 HN GLY 16 1.703 -1.558 -6.573
132 HA2 GLY 16 HA3 GLY 16 -0.200 0.570 -7.305
133 HA3 GLY 16 HA2 GLY 16 0.125 0.015 -5.665
134 H ILE 17 HN ILE 17 2.652 0.255 -5.142
135 HA ILE 17 HA ILE 17 4.301 1.640 -6.916
136 HB ILE 17 HB ILE 17 3.216 3.333 -4.700
137 HG12 ILE 17 HG12 ILE 17 4.294 3.841 -7.482
138 HG13 ILE 17 HG11 ILE 17 2.609 3.866 -6.977
139 HG21 ILE 17 HG21 ILE 17 5.542 3.055 -4.017
140 HG22 ILE 17 HG22 ILE 17 5.243 4.692 -4.599
141 HG23 ILE 17 HG23 ILE 17 6.079 3.529 -5.628
142 HD11 ILE 17 HD11 ILE 17 3.077 5.832 -5.587
143 HD12 ILE 17 HD12 ILE 17 3.428 6.109 -7.292
144 HD13 ILE 17 HD13 ILE 17 4.744 5.817 -6.156
145 H CYS 18 HN CYS 18 6.517 1.318 -6.338
146 HA CYS 18 HA CYS 18 6.972 0.076 -3.698
147 HB2 CYS 18 HB3 CYS 18 7.767 -1.406 -5.392
148 HB3 CYS 18 HB2 CYS 18 8.521 -0.094 -6.292
149 H PHE 19 HN PHE 19 7.542 1.591 -2.256
150 HA PHE 19 HA PHE 19 8.965 3.963 -3.194
151 HB2 PHE 19 HB3 PHE 19 7.521 3.276 -0.650
152 HB3 PHE 19 HB2 PHE 19 8.594 4.657 -0.736
153 HD1 PHE 19 HD1 PHE 19 5.301 3.480 -1.206
154 HD2 PHE 19 HD2 PHE 19 8.079 6.408 -2.553
155 HE1 PHE 19 HE1 PHE 19 3.441 4.871 -2.014
156 HE2 PHE 19 HE2 PHE 19 6.224 7.801 -3.363
157 HZ PHE 19 HZ PHE 19 3.901 7.037 -3.090
158 HA PRO 20 HA PRO 20 12.524 2.743 -0.766
159 HB2 PRO 20 HB3 PRO 20 14.190 4.658 -1.720
160 HB3 PRO 20 HB2 PRO 20 13.926 3.127 -2.561
161 HG2 PRO 20 HG3 PRO 20 12.941 5.832 -3.223
162 HG3 PRO 20 HG2 PRO 20 13.225 4.447 -4.285
163 HD2 PRO 20 HD3 PRO 20 10.736 5.344 -3.255
164 HD3 PRO 20 HD2 PRO 20 11.045 3.860 -4.175
165 H GLY 21 HN GLY 21 11.644 3.383 1.151
166 HA2 GLY 21 HA3 GLY 21 11.939 5.352 2.762
167 HA3 GLY 21 HA2 GLY 21 11.045 6.239 1.531
168 H ILE 22 HN ILE 22 9.013 6.571 2.269
169 HA ILE 22 HA ILE 22 7.579 4.257 3.377
170 HB ILE 22 HB ILE 22 6.494 5.787 5.046
171 HG12 ILE 22 HG12 ILE 22 8.835 7.594 4.399
172 HG13 ILE 22 HG11 ILE 22 7.169 7.909 3.930
173 HG21 ILE 22 HG21 ILE 22 8.169 4.168 5.699
174 HG22 ILE 22 HG22 ILE 22 8.333 5.644 6.653
175 HG23 ILE 22 HG23 ILE 22 9.455 5.318 5.331
176 HD11 ILE 22 HD11 ILE 22 7.793 9.192 5.890
177 HD12 ILE 22 HD12 ILE 22 8.200 7.707 6.748
178 HD13 ILE 22 HD13 ILE 22 6.530 8.026 6.281
179 H CYS 23 HN CYS 23 5.420 4.165 2.998
180 HA CYS 23 HA CYS 23 4.179 6.050 1.188
181 HB2 CYS 23 HB3 CYS 23 2.218 4.360 2.013
182 HB3 CYS 23 HB2 CYS 23 3.286 4.004 0.668
183 H ARG 24 HN ARG 24 3.081 7.815 1.948
184 HA ARG 24 HA ARG 24 2.023 7.583 4.683
185 HB2 ARG 24 HB3 ARG 24 2.421 10.080 4.853
186 HB3 ARG 24 HB2 ARG 24 3.846 9.052 4.872
187 HG2 ARG 24 HG3 ARG 24 4.150 9.530 2.452
188 HG3 ARG 24 HG2 ARG 24 2.817 10.679 2.558
189 HD2 ARG 24 HD3 ARG 24 5.414 10.789 4.083
190 HD3 ARG 24 HD2 ARG 24 4.942 11.833 2.742
191 HE ARG 24 HE ARG 24 2.980 12.343 4.430
192 HH11 ARG 24 HH11 ARG 24 6.409 12.025 5.046
193 HH12 ARG 24 HH12 ARG 24 6.401 13.120 6.390
194 HH21 ARG 24 HH21 ARG 24 2.953 13.770 6.209
195 HH22 ARG 24 HH22 ARG 24 4.427 14.110 7.058
196 H ARG 25 HN ARG 25 1.535 9.156 1.508
197 HA ARG 25 HA ARG 25 -1.107 8.399 1.333
198 HB2 ARG 25 HB3 ARG 25 -0.815 10.841 2.894
199 HB3 ARG 25 HB2 ARG 25 -1.859 11.050 1.494
200 HG2 ARG 25 HG3 ARG 25 -3.214 9.147 2.216
201 HG3 ARG 25 HG2 ARG 25 -2.167 8.937 3.620
202 HD2 ARG 25 HD3 ARG 25 -2.771 11.204 4.367
203 HD3 ARG 25 HD2 ARG 25 -3.867 11.342 2.997
204 HE ARG 25 HE ARG 25 -4.238 9.168 4.933
205 HH11 ARG 25 HH11 ARG 25 -5.396 12.112 3.426
206 HH12 ARG 25 HH12 ARG 25 -6.983 11.985 4.117
207 HH21 ARG 25 HH21 ARG 25 -6.336 9.000 5.830
208 HH22 ARG 25 HH22 ARG 25 -7.512 10.227 5.487
209 HA PRO 26 HA PRO 26 -2.617 8.379 0.288
210 HB2 PRO 26 HB3 PRO 26 -3.464 7.854 -2.406
211 HB3 PRO 26 HB2 PRO 26 -4.296 8.823 -1.186
212 HG2 PRO 26 HG3 PRO 26 -3.227 9.854 -3.488
213 HG3 PRO 26 HG2 PRO 26 -3.435 10.790 -1.992
214 HD2 PRO 26 HD3 PRO 26 -0.970 9.436 -3.053
215 HD3 PRO 26 HD2 PRO 26 -1.141 11.051 -2.324
216 H TYR 27 HN TYR 27 -1.287 6.657 0.859
217 HA TYR 27 HA TYR 27 -1.081 4.461 -0.969
218 HB2 TYR 27 HB3 TYR 27 1.498 5.635 0.085
219 HB3 TYR 27 HB2 TYR 27 1.341 4.176 -0.869
220 HD1 TYR 27 HD1 TYR 27 0.826 4.306 -3.271
221 HD2 TYR 27 HD2 TYR 27 1.476 7.807 -0.942
222 HE1 TYR 27 HE1 TYR 27 1.195 5.596 -5.328
223 HE2 TYR 27 HE2 TYR 27 1.844 9.103 -2.997
224 HH TYR 27 HH TYR 27 1.071 7.919 -6.090
225 H TYR 28 HN TYR 28 -1.289 2.677 0.199
226 HA TYR 28 HA TYR 28 -0.796 2.923 3.077
227 HB2 TYR 28 HB3 TYR 28 -2.392 1.030 3.373
228 HB3 TYR 28 HB2 TYR 28 -3.124 2.491 2.722
229 HD1 TYR 28 HD1 TYR 28 -2.508 -1.034 2.228
230 HD2 TYR 28 HD2 TYR 28 -3.670 2.556 0.243
231 HE1 TYR 28 HE1 TYR 28 -3.479 -2.358 0.401
232 HE2 TYR 28 HE2 TYR 28 -4.639 1.232 -1.588
233 HH TYR 28 HH TYR 28 -4.405 -1.012 -2.575
234 H TRP 29 HN TRP 29 0.617 1.741 4.017
235 HA TRP 29 HA TRP 29 2.547 0.287 2.601
236 HB2 TRP 29 HB3 TRP 29 2.929 1.515 4.720
237 HB3 TRP 29 HB2 TRP 29 1.954 0.338 5.569
238 HD1 TRP 29 HD1 TRP 29 5.423 0.843 4.077
239 HE1 TRP 29 HE1 TRP 29 6.956 -1.043 4.899
240 HE3 TRP 29 HE3 TRP 29 1.925 -2.115 6.315
241 HZ2 TRP 29 HZ2 TRP 29 6.717 -3.481 6.308
242 HZ3 TRP 29 HZ3 TRP 29 2.653 -4.216 7.380
243 HH2 TRP 29 HH2 TRP 29 5.002 -4.881 7.371
244 H ILE 30 HN ILE 30 2.197 -1.618 1.686
245 HA ILE 30 HA ILE 30 0.994 -3.729 3.349
246 HB ILE 30 HB ILE 30 0.615 -4.903 1.082
247 HG12 ILE 30 HG12 ILE 30 0.860 -2.038 0.104
248 HG13 ILE 30 HG11 ILE 30 1.914 -3.372 -0.343
249 HG21 ILE 30 HG21 ILE 30 -1.022 -2.494 1.822
250 HG22 ILE 30 HG22 ILE 30 -1.185 -4.123 2.480
251 HG23 ILE 30 HG23 ILE 30 -1.552 -3.817 0.782
252 HD11 ILE 30 HD11 ILE 30 0.412 -2.968 -2.138
253 HD12 ILE 30 HD12 ILE 30 -0.984 -3.005 -1.053
254 HD13 ILE 30 HD13 ILE 30 -0.068 -4.485 -1.370
255 H GLY 31 HN GLY 31 2.938 -4.393 4.266
256 HA2 GLY 31 HA3 GLY 31 4.908 -5.577 4.392
257 HA3 GLY 31 HA2 GLY 31 4.605 -6.117 2.753
258 H THR 32 HN THR 32 6.967 -5.950 2.548
259 HA THR 32 HA THR 32 7.920 -3.173 2.317
260 HB THR 32 HB THR 32 10.226 -4.489 2.492
261 HG1 THR 32 HG2 THR 32 9.605 -6.550 2.797
262 HG21 THR 32 HG21 THR 32 10.251 -3.988 4.882
263 HG22 THR 32 HG22 THR 32 8.495 -3.831 4.878
264 HG23 THR 32 HG23 THR 32 9.486 -2.684 3.975
265 H CYS 33 HN CYS 33 9.534 -2.734 0.714
266 HA CYS 33 HA CYS 33 9.654 -4.612 -1.546
267 HB2 CYS 33 HB3 CYS 33 8.135 -2.676 -2.046
268 HB3 CYS 33 HB2 CYS 33 9.491 -1.590 -1.765
269 H ASN 34 HN ASN 34 11.626 -3.457 -3.062
270 HA ASN 34 HA ASN 34 13.898 -3.259 -3.181
271 HB2 ASN 34 HB3 ASN 34 13.411 -1.801 -0.573
272 HB3 ASN 34 HB2 ASN 34 15.000 -1.906 -1.314
273 HD21 ASN 34 HD21 ASN 34 13.303 0.428 -0.766
274 HD22 ASN 34 HD22 ASN 34 13.101 1.213 -2.286
275 H ASN 35 HN ASN 35 15.805 -3.366 -0.960
276 HA ASN 35 HA ASN 35 15.450 -6.201 -0.242
277 HB2 ASN 35 HB3 ASN 35 18.013 -4.624 -0.565
278 HB3 ASN 35 HB2 ASN 35 17.919 -6.308 -0.063
279 HD21 ASN 35 HD21 ASN 35 17.690 -4.086 -2.688
280 HD22 ASN 35 HD22 ASN 35 17.623 -5.267 -3.952
281 H GLY 36 HN GLY 36 14.272 -5.726 1.663
282 HA2 GLY 36 HA3 GLY 36 14.492 -5.999 4.001
283 HA3 GLY 36 HA2 GLY 36 16.067 -5.215 3.918
284 H ILE 37 HN ILE 37 15.641 -2.965 2.680
285 HA ILE 37 HA ILE 37 14.010 -1.313 4.359
286 HB ILE 37 HB ILE 37 14.643 0.390 2.513
287 HG12 ILE 37 HG12 ILE 37 16.638 -1.784 1.897
288 HG13 ILE 37 HG11 ILE 37 15.274 -1.359 0.867
289 HG21 ILE 37 HG21 ILE 37 15.616 0.416 4.722
290 HG22 ILE 37 HG22 ILE 37 16.869 0.709 3.516
291 HG23 ILE 37 HG23 ILE 37 16.728 -0.877 4.272
292 HD11 ILE 37 HD11 ILE 37 17.379 -0.373 0.113
293 HD12 ILE 37 HD12 ILE 37 17.501 0.492 1.644
294 HD13 ILE 37 HD13 ILE 37 16.177 0.846 0.536
295 H GLY 38 HN GLY 38 13.138 0.463 2.181
296 HA2 GLY 38 HA3 GLY 38 11.715 0.675 0.399
297 HA3 GLY 38 HA2 GLY 38 11.777 -1.067 0.194
298 H SER 39 HN SER 39 9.488 0.470 -0.147
299 HA SER 39 HA SER 39 7.849 -0.833 1.877
300 HB2 SER 39 HB3 SER 39 6.385 1.295 1.786
301 HB3 SER 39 HB2 SER 39 7.861 1.311 2.736
302 HG SER 39 HG SER 39 8.559 2.856 1.556
303 H CYS 40 HN CYS 40 6.722 -2.220 0.856
304 HA CYS 40 HA CYS 40 5.744 -1.899 -1.835
305 HB2 CYS 40 HB3 CYS 40 6.367 -4.111 -1.003
306 HB3 CYS 40 HB2 CYS 40 5.285 -3.948 0.367
307 H CYS 41 HN CYS 41 4.304 -0.189 -1.934
308 HA CYS 41 HA CYS 41 2.026 -0.289 -0.071
309 HB2 CYS 41 HB3 CYS 41 3.357 2.286 -0.922
310 HB3 CYS 41 HB2 CYS 41 2.146 2.059 0.337
311 H ALA 42 HN ALA 42 0.040 0.332 -0.975
312 HA ALA 42 HA ALA 42 0.154 0.480 -3.898
313 HB1 ALA 42 HB1 ALA 42 -1.099 -1.397 -2.900
314 HB2 ALA 42 HB2 ALA 42 -2.088 -0.372 -3.939
315 HB3 ALA 42 HB3 ALA 42 -2.214 -0.229 -2.184
316 H ARG 43 HN ARG 43 -0.755 2.044 -5.072
317 HA ARG 43 HA ARG 43 -1.088 4.589 -3.951
318 HB2 ARG 43 HB3 ARG 43 -0.470 3.994 -6.341
319 HB3 ARG 43 HB2 ARG 43 -2.173 3.667 -6.614
320 HG2 ARG 43 HG3 ARG 43 -1.218 6.319 -5.598
321 HG3 ARG 43 HG2 ARG 43 -1.256 5.937 -7.314
322 HD2 ARG 43 HD3 ARG 43 -3.660 5.508 -7.167
323 HD3 ARG 43 HD2 ARG 43 -3.618 5.877 -5.443
324 HE ARG 43 HE ARG 43 -2.542 8.045 -6.860
325 HH11 ARG 43 HH11 ARG 43 -5.613 6.440 -6.378
326 HH12 ARG 43 HH12 ARG 43 -6.549 7.879 -6.610
327 HH21 ARG 43 HH21 ARG 43 -3.757 9.942 -7.166
328 HH22 ARG 43 HH22 ARG 43 -5.488 9.886 -7.055
329 H GLY 44 HN GLY 44 -2.617 5.056 -2.581
330 HA2 GLY 44 HA3 GLY 44 -5.103 5.695 -2.799
331 HA3 GLY 44 HA2 GLY 44 -5.315 3.955 -2.951
332 H TRP 45 HN TRP 45 -6.703 4.509 -0.996
333 HA TRP 45 HA TRP 45 -5.008 4.105 1.352
334 HB2 TRP 45 HB3 TRP 45 -5.875 6.524 1.098
335 HB3 TRP 45 HB2 TRP 45 -7.448 5.850 1.529
336 HD1 TRP 45 HD1 TRP 45 -7.915 6.055 4.048
337 HE1 TRP 45 HE1 TRP 45 -6.484 6.021 6.193
338 HE3 TRP 45 HE3 TRP 45 -3.332 5.399 1.923
339 HZ2 TRP 45 HZ2 TRP 45 -3.753 5.735 6.875
340 HZ3 TRP 45 HZ3 TRP 45 -1.355 5.259 3.390
341 HH2 TRP 45 HH2 TRP 45 -1.565 5.425 5.816
342 H ARG 46 HN ARG 46 -5.515 2.236 2.212
343 HA ARG 46 HA ARG 46 -8.337 1.410 2.171
344 HB2 ARG 46 HB3 ARG 46 -6.534 -0.027 1.061
345 HB3 ARG 46 HB2 ARG 46 -5.984 -0.380 2.692
346 HG2 ARG 46 HG3 ARG 46 -8.236 -1.240 3.232
347 HG3 ARG 46 HG2 ARG 46 -8.691 -0.997 1.543
348 HD2 ARG 46 HD3 ARG 46 -6.441 -2.730 2.514
349 HD3 ARG 46 HD2 ARG 46 -8.030 -3.315 2.033
350 HE ARG 46 HE ARG 46 -6.514 -1.801 0.058
351 HH11 ARG 46 HH11 ARG 46 -7.659 -4.886 1.234
352 HH12 ARG 46 HH12 ARG 46 -7.195 -5.760 -0.200
353 HH21 ARG 46 HH21 ARG 46 -5.869 -2.927 -1.818
354 HH22 ARG 46 HH22 ARG 46 -6.190 -4.631 -1.940
355 H SER 47 HN SER 47 -9.300 0.720 4.035
356 HA SER 47 HA SER 47 -9.836 0.668 6.222
357 HB2 SER 47 HB3 SER 47 -7.960 -0.993 6.276
358 HB3 SER 47 HB2 SER 47 -6.878 0.319 6.738
359 HG SER 47 HG SER 47 -7.978 0.560 8.642