Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611220 | 2nae RC | 25935 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -40.035 5.851 0.151
2 H2 GLY 1 H2 GLY 1 -39.725 5.209 -1.390
3 H3 GLY 1 H3 GLY 1 -38.478 5.955 -0.512
4 HA2 GLY 1 HA2 GLY 1 -37.976 4.096 0.566
5 HA3 GLY 1 HA1 GLY 1 -39.672 3.836 0.978
6 H THR 2 H THR 2 -40.096 1.783 0.386
7 HA THR 2 HA THR 2 -40.462 -0.047 -0.951
8 HB THR 2 HB THR 2 -41.090 0.327 -3.171
9 HG1 THR 2 HG1 THR 2 -39.706 2.720 -3.453
10 HG21 THR 2 HG21 THR 2 -41.260 3.190 -2.269
11 HG22 THR 2 HG22 THR 2 -42.144 1.952 -1.378
12 HG23 THR 2 HG23 THR 2 -42.472 2.209 -3.090
13 H ASN 3 H ASN 3 -39.294 -1.720 -1.918
14 HA ASN 3 HA ASN 3 -36.397 -1.323 -1.962
15 HB2 ASN 3 HB3 ASN 3 -37.837 -3.918 -2.537
16 HB3 ASN 3 HB2 ASN 3 -36.213 -3.678 -1.887
17 HD21 ASN 3 HD21 ASN 3 -36.014 -3.269 0.436
18 HD22 ASN 3 HD22 ASN 3 -37.355 -3.345 1.471
19 H SER 4 H SER 4 -36.320 -3.687 -3.971
20 HA SER 4 HA SER 4 -35.830 -3.871 -6.222
21 HB2 SER 4 HB3 SER 4 -37.537 -3.098 -7.755
22 HB3 SER 4 HB2 SER 4 -38.322 -3.749 -6.320
23 HG SER 4 HG SER 4 -37.666 -1.017 -6.469
24 H ARG 5 H ARG 5 -33.900 -2.542 -5.512
25 HA ARG 5 HA ARG 5 -33.689 0.210 -5.925
26 HB2 ARG 5 HB3 ARG 5 -31.617 -1.970 -6.275
27 HB3 ARG 5 HB2 ARG 5 -31.241 -0.248 -6.345
28 HG2 ARG 5 HG3 ARG 5 -32.159 0.049 -4.072
29 HG3 ARG 5 HG2 ARG 5 -32.528 -1.671 -3.990
30 HD2 ARG 5 HD3 ARG 5 -30.101 -2.161 -4.335
31 HD3 ARG 5 HD2 ARG 5 -29.779 -0.430 -4.266
32 HE ARG 5 HE ARG 5 -30.455 -2.163 -2.029
33 HH11 ARG 5 HH11 ARG 5 -30.352 -1.182 0.015
34 HH12 ARG 5 HH12 ARG 5 -30.221 0.540 0.138
35 HH21 ARG 5 HH21 ARG 5 -30.235 1.055 -3.288
36 HH22 ARG 5 HH22 ARG 5 -30.154 1.806 -1.729
37 H ARG 6 H ARG 6 -33.042 -2.411 -8.285
38 HA ARG 6 HA ARG 6 -32.696 -2.398 -10.544
39 HB2 ARG 6 HB3 ARG 6 -34.553 -1.468 -11.828
40 HB3 ARG 6 HB2 ARG 6 -35.141 -2.288 -10.387
41 HG2 ARG 6 HG3 ARG 6 -35.500 -0.188 -9.256
42 HG3 ARG 6 HG2 ARG 6 -34.704 0.708 -10.546
43 HD2 ARG 6 HD3 ARG 6 -37.073 0.931 -10.882
44 HD3 ARG 6 HD2 ARG 6 -36.481 -0.178 -12.114
45 HE ARG 6 HE ARG 6 -37.660 -1.907 -11.076
46 HH11 ARG 6 HH11 ARG 6 -39.224 -2.651 -9.595
47 HH12 ARG 6 HH12 ARG 6 -39.679 -1.653 -8.254
48 HH21 ARG 6 HH21 ARG 6 -37.529 0.933 -9.108
49 HH22 ARG 6 HH22 ARG 6 -38.717 0.378 -7.978
50 H ASN 7 H ASN 7 -31.512 -1.463 -12.165
51 HA ASN 7 HA ASN 7 -30.092 0.090 -13.124
52 HB2 ASN 7 HB3 ASN 7 -32.241 1.125 -13.742
53 HB3 ASN 7 HB2 ASN 7 -32.263 1.997 -12.207
54 HD21 ASN 7 HD21 ASN 7 -32.308 3.893 -14.016
55 HD22 ASN 7 HD22 ASN 7 -30.777 4.484 -14.447
56 H ARG 8 H ARG 8 -29.141 -0.688 -10.795
57 HA ARG 8 HA ARG 8 -28.810 0.861 -8.603
58 HB2 ARG 8 HB3 ARG 8 -27.519 -1.320 -9.271
59 HB3 ARG 8 HB2 ARG 8 -26.306 -0.213 -9.905
60 HG2 ARG 8 HG3 ARG 8 -25.539 -0.495 -7.720
61 HG3 ARG 8 HG2 ARG 8 -26.544 0.938 -7.528
62 HD2 ARG 8 HD3 ARG 8 -28.410 -0.441 -6.733
63 HD3 ARG 8 HD2 ARG 8 -27.479 -1.906 -7.018
64 HE ARG 8 HE ARG 8 -26.357 -1.515 -5.027
65 HH11 ARG 8 HH11 ARG 8 -26.015 -0.367 -3.093
66 HH12 ARG 8 HH12 ARG 8 -26.604 1.254 -2.938
67 HH21 ARG 8 HH21 ARG 8 -27.986 1.339 -6.118
68 HH22 ARG 8 HH22 ARG 8 -27.720 2.221 -4.650
69 H LEU 9 H LEU 9 -26.481 1.205 -11.307
70 HA LEU 9 HA LEU 9 -26.786 3.994 -11.546
71 HB2 LEU 9 HB3 LEU 9 -25.568 3.558 -9.197
72 HB3 LEU 9 HB2 LEU 9 -24.148 3.463 -10.225
73 HG LEU 9 HG LEU 9 -24.430 5.740 -9.396
74 HD11 LEU 9 HD11 LEU 9 -25.131 5.579 -12.339
75 HD12 LEU 9 HD12 LEU 9 -23.508 5.529 -11.653
76 HD13 LEU 9 HD13 LEU 9 -24.477 6.988 -11.514
77 HD21 LEU 9 HD21 LEU 9 -26.370 6.976 -9.471
78 HD22 LEU 9 HD22 LEU 9 -27.072 5.370 -9.344
79 HD23 LEU 9 HD23 LEU 9 -26.980 6.169 -10.910
80 H LEU 10 H LEU 10 -26.619 1.896 -13.349
81 HA LEU 10 HA LEU 10 -25.201 0.880 -14.977
82 HB2 LEU 10 HB3 LEU 10 -24.745 2.705 -16.701
83 HB3 LEU 10 HB2 LEU 10 -26.420 2.436 -16.240
84 HG LEU 10 HG LEU 10 -24.908 4.470 -14.631
85 HD11 LEU 10 HD11 LEU 10 -25.723 4.882 -17.512
86 HD12 LEU 10 HD12 LEU 10 -24.136 5.142 -16.791
87 HD13 LEU 10 HD13 LEU 10 -25.474 6.213 -16.384
88 HD21 LEU 10 HD21 LEU 10 -27.099 5.663 -14.826
89 HD22 LEU 10 HD22 LEU 10 -27.276 4.051 -14.147
90 HD23 LEU 10 HD23 LEU 10 -27.699 4.346 -15.830
91 H GLN 11 H GLN 11 -23.276 0.090 -14.324
92 HA GLN 11 HA GLN 11 -20.985 -0.004 -14.082
93 HB2 GLN 11 HB3 GLN 11 -20.008 0.983 -15.879
94 HB3 GLN 11 HB2 GLN 11 -21.477 1.897 -16.159
95 HG2 GLN 11 HG3 GLN 11 -20.652 3.668 -14.630
96 HG3 GLN 11 HG2 GLN 11 -19.168 2.747 -14.383
97 HE21 GLN 11 HE21 GLN 11 -19.633 5.455 -15.743
98 HE22 GLN 11 HE22 GLN 11 -18.925 5.277 -17.275
99 H SER 12 H SER 12 -19.288 0.880 -12.799
100 HA SER 12 HA SER 12 -18.531 1.740 -10.780
101 HB2 SER 12 HB3 SER 12 -18.651 4.080 -10.578
102 HB3 SER 12 HB2 SER 12 -18.735 3.792 -12.314
103 HG SER 12 HG SER 12 -20.349 5.268 -11.381
104 H ASP 13 H ASP 13 -19.620 0.324 -9.335
105 HA ASP 13 HA ASP 13 -22.331 0.693 -8.525
106 HB2 ASP 13 HB3 ASP 13 -21.781 -0.885 -6.722
107 HB3 ASP 13 HB2 ASP 13 -21.180 -1.466 -8.274
108 H TYR 14 H TYR 14 -23.085 1.403 -6.433
109 HA TYR 14 HA TYR 14 -21.952 3.853 -5.646
110 HB2 TYR 14 HB3 TYR 14 -24.361 3.320 -5.455
111 HB3 TYR 14 HB2 TYR 14 -23.984 2.148 -4.196
112 HD1 TYR 14 HD1 TYR 14 -24.258 5.709 -5.033
113 HD2 TYR 14 HD2 TYR 14 -23.178 2.874 -1.999
114 HE1 TYR 14 HE1 TYR 14 -24.291 7.518 -3.332
115 HE2 TYR 14 HE2 TYR 14 -23.210 4.678 -0.295
116 HH TYR 14 HH TYR 14 -23.580 8.050 -1.199
117 H MET 15 H MET 15 -20.920 0.790 -4.952
118 HA MET 15 HA MET 15 -20.002 -0.131 -2.930
119 HB2 MET 15 HB3 MET 15 -18.331 0.263 -4.707
120 HB3 MET 15 HB2 MET 15 -18.030 1.870 -4.050
121 HG2 MET 15 HG3 MET 15 -16.330 0.261 -3.270
122 HG3 MET 15 HG2 MET 15 -17.275 0.876 -1.926
123 HE1 MET 15 HE1 MET 15 -18.060 -2.152 -0.102
124 HE2 MET 15 HE2 MET 15 -18.767 -0.559 -0.373
125 HE3 MET 15 HE3 MET 15 -17.020 -0.725 -0.207
126 H ASN 16 H ASN 16 -21.475 0.911 -1.389
127 HA ASN 16 HA ASN 16 -21.349 3.293 -0.131
128 HB2 ASN 16 HB3 ASN 16 -22.850 1.440 0.599
129 HB3 ASN 16 HB2 ASN 16 -21.472 0.672 1.396
130 HD21 ASN 16 HD21 ASN 16 -21.609 4.174 1.419
131 HD22 ASN 16 HD22 ASN 16 -22.070 4.330 3.043
132 H MET 17 H MET 17 -20.235 4.268 1.561
133 HA MET 17 HA MET 17 -18.467 4.680 3.039
134 HB2 MET 17 HB3 MET 17 -16.969 2.265 1.990
135 HB3 MET 17 HB2 MET 17 -16.684 3.165 3.461
136 HG2 MET 17 HG3 MET 17 -18.043 1.754 4.605
137 HG3 MET 17 HG2 MET 17 -19.394 2.212 3.592
138 HE1 MET 17 HE1 MET 17 -19.351 -0.943 4.711
139 HE2 MET 17 HE2 MET 17 -20.193 -1.333 3.210
140 HE3 MET 17 HE3 MET 17 -20.472 0.217 3.990
141 H THR 18 H THR 18 -17.137 3.220 0.051
142 HA THR 18 HA THR 18 -16.525 5.673 -1.167
143 HB THR 18 HB THR 18 -14.773 5.157 0.954
144 HG1 THR 18 HG1 THR 18 -14.550 7.146 0.427
145 HG21 THR 18 HG21 THR 18 -12.590 4.785 -0.022
146 HG22 THR 18 HG22 THR 18 -13.276 4.721 -1.646
147 HG23 THR 18 HG23 THR 18 -13.630 3.439 -0.487
148 HA PRO 19 HA PRO 19 -15.954 2.847 -4.526
149 HB2 PRO 19 HB3 PRO 19 -14.337 4.253 -6.239
150 HB3 PRO 19 HB2 PRO 19 -16.048 4.661 -5.972
151 HG2 PRO 19 HG3 PRO 19 -13.605 5.877 -4.740
152 HG3 PRO 19 HG2 PRO 19 -15.033 6.678 -5.422
153 HD2 PRO 19 HD3 PRO 19 -14.743 6.348 -2.753
154 HD3 PRO 19 HD2 PRO 19 -16.341 6.252 -3.532
155 H ARG 20 H ARG 20 -14.603 1.168 -5.108
156 HA ARG 20 HA ARG 20 -12.524 0.313 -3.596
157 HB2 ARG 20 HB3 ARG 20 -11.790 -1.092 -5.435
158 HB3 ARG 20 HB2 ARG 20 -13.547 -1.025 -5.400
159 HG2 ARG 20 HG3 ARG 20 -13.486 -0.406 -7.595
160 HG3 ARG 20 HG2 ARG 20 -12.807 1.132 -7.080
161 HD2 ARG 20 HD3 ARG 20 -10.538 0.201 -7.262
162 HD3 ARG 20 HD2 ARG 20 -11.208 -1.347 -7.763
163 HE ARG 20 HE ARG 20 -11.574 -0.445 -9.874
164 HH11 ARG 20 HH11 ARG 20 -11.475 1.224 -11.409
165 HH12 ARG 20 HH12 ARG 20 -11.180 2.850 -10.895
166 HH21 ARG 20 HH21 ARG 20 -10.979 2.029 -7.530
167 HH22 ARG 20 HH22 ARG 20 -10.897 3.307 -8.696
168 H ARG 21 H ARG 21 -10.396 0.657 -3.349
169 HA ARG 21 HA ARG 21 -9.183 3.028 -3.755
170 HB2 ARG 21 HB3 ARG 21 -7.196 0.907 -4.168
171 HB3 ARG 21 HB2 ARG 21 -7.377 2.012 -2.812
172 HG2 ARG 21 HG3 ARG 21 -7.668 -0.209 -1.958
173 HG3 ARG 21 HG2 ARG 21 -9.260 0.546 -1.978
174 HD2 ARG 21 HD3 ARG 21 -10.040 -1.113 -3.327
175 HD3 ARG 21 HD2 ARG 21 -8.805 -0.758 -4.528
176 HE ARG 21 HE ARG 21 -7.792 -2.704 -3.842
177 HH11 ARG 21 HH11 ARG 21 -7.226 -4.335 -2.389
178 HH12 ARG 21 HH12 ARG 21 -7.767 -4.259 -0.745
179 HH21 ARG 21 HH21 ARG 21 -9.486 -1.275 -1.174
180 HH22 ARG 21 HH22 ARG 21 -9.048 -2.525 -0.057
181 HA PRO 22 HA PRO 22 -8.741 3.030 -8.254
182 HB2 PRO 22 HB3 PRO 22 -7.676 5.482 -8.616
183 HB3 PRO 22 HB2 PRO 22 -9.365 5.280 -8.095
184 HG2 PRO 22 HG3 PRO 22 -6.946 5.878 -6.443
185 HG3 PRO 22 HG2 PRO 22 -8.547 6.642 -6.398
186 HD2 PRO 22 HD3 PRO 22 -7.790 4.688 -4.627
187 HD3 PRO 22 HD2 PRO 22 -9.480 4.921 -5.139
188 H GLY 23 H GLY 23 -7.204 1.685 -8.998
189 HA2 GLY 23 HA2 GLY 23 -4.651 1.248 -8.060
190 HA3 GLY 23 HA1 GLY 23 -5.118 0.966 -9.735
191 H LEU 24 H LEU 24 -4.752 2.585 -11.290
192 HA LEU 24 HA LEU 24 -3.414 4.185 -12.313
193 HB2 LEU 24 HB3 LEU 24 -5.027 5.552 -10.864
194 HB3 LEU 24 HB2 LEU 24 -3.704 5.684 -9.710
195 HG LEU 24 HG LEU 24 -2.350 6.464 -11.902
196 HD11 LEU 24 HD11 LEU 24 -3.768 7.809 -13.384
197 HD12 LEU 24 HD12 LEU 24 -5.202 7.332 -12.476
198 HD13 LEU 24 HD13 LEU 24 -4.307 6.131 -13.406
199 HD21 LEU 24 HD21 LEU 24 -2.523 7.859 -9.937
200 HD22 LEU 24 HD22 LEU 24 -4.234 8.165 -10.238
201 HD23 LEU 24 HD23 LEU 24 -3.014 8.837 -11.319
202 H THR 25 H THR 25 -1.949 2.124 -11.206
203 HA THR 25 HA THR 25 0.412 3.482 -10.005
204 HB THR 25 HB THR 25 1.077 1.167 -9.252
205 HG1 THR 25 HG1 THR 25 -1.376 0.653 -10.473
206 HG21 THR 25 HG21 THR 25 -1.419 2.516 -8.229
207 HG22 THR 25 HG22 THR 25 0.165 2.375 -7.465
208 HG23 THR 25 HG23 THR 25 -0.908 0.979 -7.538
209 H ARG 26 H ARG 26 0.095 0.361 -11.661
210 HA ARG 26 HA ARG 26 1.267 -0.537 -13.421
211 HB2 ARG 26 HB3 ARG 26 1.067 2.334 -14.354
212 HB3 ARG 26 HB2 ARG 26 1.614 0.997 -15.364
213 HG2 ARG 26 HG3 ARG 26 -0.519 -0.148 -15.081
214 HG3 ARG 26 HG2 ARG 26 -1.070 1.095 -13.960
215 HD2 ARG 26 HD3 ARG 26 -2.019 1.533 -16.158
216 HD3 ARG 26 HD2 ARG 26 -0.842 2.784 -15.771
217 HE ARG 26 HE ARG 26 0.131 0.502 -17.330
218 HH11 ARG 26 HH11 ARG 26 1.020 1.059 -19.341
219 HH12 ARG 26 HH12 ARG 26 0.806 2.660 -19.966
220 HH21 ARG 26 HH21 ARG 26 -1.038 3.765 -17.250
221 HH22 ARG 26 HH22 ARG 26 -0.356 4.188 -18.783
222 H LYS 27 H LYS 27 3.351 -0.815 -14.296
223 HA LYS 27 HA LYS 27 5.632 -0.823 -14.238
224 HB2 LYS 27 HB3 LYS 27 5.447 2.087 -13.444
225 HB3 LYS 27 HB2 LYS 27 6.755 1.284 -14.313
226 HG2 LYS 27 HG3 LYS 27 5.065 0.755 -16.137
227 HG3 LYS 27 HG2 LYS 27 3.952 1.843 -15.310
228 HD2 LYS 27 HD3 LYS 27 5.422 3.719 -15.617
229 HD3 LYS 27 HD2 LYS 27 6.727 2.678 -16.184
230 HE2 LYS 27 HE3 LYS 27 5.635 2.223 -18.231
231 HE3 LYS 27 HE2 LYS 27 4.076 2.782 -17.625
232 HZ1 LYS 27 HZ1 LYS 27 4.692 4.975 -17.798
233 HZ2 LYS 27 HZ2 LYS 27 5.460 4.303 -19.156
234 HZ3 LYS 27 HZ3 LYS 27 6.355 4.640 -17.752
235 HA PRO 28 HA PRO 28 6.538 -1.418 -9.908
236 HB2 PRO 28 HB3 PRO 28 9.208 -1.871 -9.948
237 HB3 PRO 28 HB2 PRO 28 8.058 -3.022 -10.662
238 HG2 PRO 28 HG3 PRO 28 9.685 -0.906 -12.019
239 HG3 PRO 28 HG2 PRO 28 9.459 -2.607 -12.475
240 HD2 PRO 28 HD3 PRO 28 8.035 -0.599 -13.647
241 HD3 PRO 28 HD2 PRO 28 7.351 -2.226 -13.394
242 H TYR 29 H TYR 29 7.374 -0.309 -8.079
243 HA TYR 29 HA TYR 29 7.794 2.495 -8.448
244 HB2 TYR 29 HB3 TYR 29 6.632 1.440 -6.473
245 HB3 TYR 29 HB2 TYR 29 8.215 0.891 -5.921
246 HD1 TYR 29 HD1 TYR 29 6.114 3.850 -6.606
247 HD2 TYR 29 HD2 TYR 29 9.853 2.440 -5.033
248 HE1 TYR 29 HE1 TYR 29 6.534 6.080 -5.606
249 HE2 TYR 29 HE2 TYR 29 10.273 4.670 -4.031
250 HH TYR 29 HH TYR 29 9.008 7.337 -4.873
251 H GLN 30 H GLN 30 9.823 -0.134 -8.722
252 HA GLN 30 HA GLN 30 12.125 -0.478 -8.274
253 HB2 GLN 30 HB3 GLN 30 13.424 0.696 -9.916
254 HB3 GLN 30 HB2 GLN 30 11.849 0.341 -10.614
255 HG2 GLN 30 HG3 GLN 30 11.380 2.832 -9.550
256 HG3 GLN 30 HG2 GLN 30 13.084 2.971 -9.948
257 HE21 GLN 30 HE21 GLN 30 11.070 4.474 -11.330
258 HE22 GLN 30 HE22 GLN 30 11.015 3.929 -12.937
259 HA PRO 31 HA PRO 31 12.299 2.702 -4.851
260 HB2 PRO 31 HB3 PRO 31 13.542 0.252 -3.641
261 HB3 PRO 31 HB2 PRO 31 12.415 1.417 -2.914
262 HG2 PRO 31 HG3 PRO 31 11.563 -0.964 -3.707
263 HG3 PRO 31 HG2 PRO 31 10.571 0.485 -3.964
264 HD2 PRO 31 HD3 PRO 31 12.196 -1.063 -5.953
265 HD3 PRO 31 HD2 PRO 31 10.641 -0.224 -6.176
266 H TYR 32 H TYR 32 14.707 0.360 -5.954
267 HA TYR 32 HA TYR 32 17.030 0.453 -6.006
268 HB2 TYR 32 HB3 TYR 32 17.680 1.844 -7.726
269 HB3 TYR 32 HB2 TYR 32 15.941 1.990 -7.916
270 HD1 TYR 32 HD1 TYR 32 19.025 3.670 -6.929
271 HD2 TYR 32 HD2 TYR 32 14.747 4.008 -7.083
272 HE1 TYR 32 HE1 TYR 32 19.208 6.108 -6.527
273 HE2 TYR 32 HE2 TYR 32 14.926 6.450 -6.683
274 HH TYR 32 HH TYR 32 16.678 8.250 -7.035
275 H ALA 33 H ALA 33 18.032 0.455 -4.074
276 HA ALA 33 HA ALA 33 18.645 3.083 -2.862
277 HB1 ALA 33 HB1 ALA 33 17.806 0.732 -1.171
278 HB2 ALA 33 HB2 ALA 33 16.657 1.949 -1.725
279 HB3 ALA 33 HB3 ALA 33 18.006 2.417 -0.690
280 HA PRO 34 HA PRO 34 22.311 0.209 -3.378
281 HB2 PRO 34 HB3 PRO 34 23.578 2.891 -3.809
282 HB3 PRO 34 HB2 PRO 34 23.813 1.378 -4.709
283 HG2 PRO 34 HG3 PRO 34 22.387 3.383 -5.736
284 HG3 PRO 34 HG2 PRO 34 21.919 1.692 -5.992
285 HD2 PRO 34 HD3 PRO 34 20.705 3.723 -4.147
286 HD3 PRO 34 HD2 PRO 34 19.912 2.426 -5.075
287 H ALA 35 H ALA 35 22.641 -0.393 -1.309
288 HA ALA 35 HA ALA 35 23.351 1.667 0.703
289 HB1 ALA 35 HB1 ALA 35 21.562 0.338 1.533
290 HB2 ALA 35 HB2 ALA 35 23.008 -0.230 2.363
291 HB3 ALA 35 HB3 ALA 35 22.329 -1.170 1.038
292 H ARG 36 H ARG 36 24.296 -1.758 0.717
293 HA ARG 36 HA ARG 36 26.399 -2.699 1.031
294 HB2 ARG 36 HB3 ARG 36 26.983 -0.504 -0.971
295 HB3 ARG 36 HB2 ARG 36 28.170 -1.718 -0.492
296 HG2 ARG 36 HG3 ARG 36 26.683 -3.513 -1.254
297 HG3 ARG 36 HG2 ARG 36 25.446 -2.331 -1.679
298 HD2 ARG 36 HD3 ARG 36 26.958 -1.315 -3.325
299 HD3 ARG 36 HD2 ARG 36 28.215 -2.471 -2.894
300 HE ARG 36 HE ARG 36 26.087 -4.047 -3.575
301 HH11 ARG 36 HH11 ARG 36 25.733 -4.797 -5.684
302 HH12 ARG 36 HH12 ARG 36 26.353 -3.905 -7.031
303 HH21 ARG 36 HH21 ARG 36 27.780 -1.424 -5.074
304 HH22 ARG 36 HH22 ARG 36 27.512 -1.996 -6.686
305 H ASP 37 H ASP 37 26.625 -2.171 3.227
306 HA ASP 37 HA ASP 37 27.502 0.311 4.230
307 HB2 ASP 37 HB3 ASP 37 26.519 -1.343 5.716
308 HB3 ASP 37 HB2 ASP 37 27.848 -2.460 5.399
309 H PHE 38 H PHE 38 29.545 -2.418 4.825
310 HA PHE 38 HA PHE 38 31.681 -1.798 3.123
311 HB2 PHE 38 HB3 PHE 38 31.509 0.187 5.012
312 HB3 PHE 38 HB2 PHE 38 32.610 -0.924 5.812
313 HD1 PHE 38 HD1 PHE 38 32.152 1.408 3.031
314 HD2 PHE 38 HD2 PHE 38 34.780 -1.538 4.735
315 HE1 PHE 38 HE1 PHE 38 33.998 2.214 1.584
316 HE2 PHE 38 HE2 PHE 38 36.623 -0.725 3.291
317 HZ PHE 38 HZ PHE 38 36.231 1.148 1.714
318 H ALA 39 H ALA 39 30.197 -3.949 4.513
319 HA ALA 39 HA ALA 39 30.567 -5.991 5.517
320 HB1 ALA 39 HB1 ALA 39 32.001 -5.752 3.218
321 HB2 ALA 39 HB2 ALA 39 31.894 -7.247 4.142
322 HB3 ALA 39 HB3 ALA 39 33.288 -6.186 4.336
323 H ALA 40 H ALA 40 30.896 -4.356 7.500
324 HA ALA 40 HA ALA 40 31.864 -4.064 9.572
325 HB1 ALA 40 HB1 ALA 40 33.193 -6.668 8.797
326 HB2 ALA 40 HB2 ALA 40 31.780 -6.442 9.823
327 HB3 ALA 40 HB3 ALA 40 33.366 -5.916 10.380
328 H TYR 41 H TYR 41 32.873 -2.465 7.758
329 HA TYR 41 HA TYR 41 34.736 -1.232 7.046
330 HB2 TYR 41 HB3 TYR 41 34.383 -0.471 9.356
331 HB3 TYR 41 HB2 TYR 41 35.433 -1.759 9.950
332 HD1 TYR 41 HD1 TYR 41 35.377 1.157 7.603
333 HD2 TYR 41 HD2 TYR 41 37.758 -1.415 10.088
334 HE1 TYR 41 HE1 TYR 41 37.360 2.586 7.180
335 HE2 TYR 41 HE2 TYR 41 39.741 0.014 9.664
336 HH TYR 41 HH TYR 41 40.438 1.655 7.700
337 H ARG 42 H ARG 42 34.912 -4.259 6.972
338 HA ARG 42 HA ARG 42 36.612 -5.926 7.042
339 HB2 ARG 42 HB3 ARG 42 36.167 -4.368 4.655
340 HB3 ARG 42 HB2 ARG 42 37.819 -4.968 4.637
341 HG2 ARG 42 HG3 ARG 42 37.089 -7.248 4.841
342 HG3 ARG 42 HG2 ARG 42 35.435 -6.752 5.212
343 HD2 ARG 42 HD3 ARG 42 35.159 -5.836 2.975
344 HD3 ARG 42 HD2 ARG 42 36.842 -6.179 2.590
345 HE ARG 42 HE ARG 42 34.669 -8.037 2.488
346 HH11 ARG 42 HH11 ARG 42 35.167 -10.213 2.067
347 HH12 ARG 42 HH12 ARG 42 36.799 -10.770 2.235
348 HH21 ARG 42 HH21 ARG 42 38.039 -7.676 3.187
349 HH22 ARG 42 HH22 ARG 42 38.424 -9.333 2.866
350 HA PRO 43 HA PRO 43 40.311 -4.513 9.269
351 HB2 PRO 43 HB3 PRO 43 41.423 -6.870 7.763
352 HB3 PRO 43 HB2 PRO 43 41.718 -6.376 9.443
353 HG2 PRO 43 HG3 PRO 43 39.988 -8.324 8.856
354 HG3 PRO 43 HG2 PRO 43 39.685 -7.185 10.181
355 HD2 PRO 43 HD3 PRO 43 38.311 -7.403 7.561
356 HD3 PRO 43 HD2 PRO 43 37.746 -6.631 9.067
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -38.666 4.495 -2.383
2 H2 GLY 1 H2 GLY 1 -39.810 4.560 -3.639
3 H3 GLY 1 H3 GLY 1 -38.444 5.570 -3.676
4 HA2 GLY 1 HA2 GLY 1 -38.052 3.812 -5.205
5 HA3 GLY 1 HA1 GLY 1 -37.023 3.552 -3.795
6 H THR 2 H THR 2 -36.944 1.296 -4.197
7 HA THR 2 HA THR 2 -37.597 -0.890 -3.940
8 HB THR 2 HB THR 2 -38.968 -1.378 -2.101
9 HG1 THR 2 HG1 THR 2 -40.213 1.075 -1.931
10 HG21 THR 2 HG21 THR 2 -37.011 0.242 -1.638
11 HG22 THR 2 HG22 THR 2 -38.240 0.081 -0.387
12 HG23 THR 2 HG23 THR 2 -38.252 1.481 -1.458
13 H ASN 3 H ASN 3 -38.995 -2.434 -4.834
14 HA ASN 3 HA ASN 3 -40.575 -3.246 -6.306
15 HB2 ASN 3 HB3 ASN 3 -42.217 -0.789 -5.689
16 HB3 ASN 3 HB2 ASN 3 -42.776 -2.386 -6.168
17 HD21 ASN 3 HD21 ASN 3 -41.674 -0.471 -3.403
18 HD22 ASN 3 HD22 ASN 3 -41.961 -1.675 -2.242
19 H SER 4 H SER 4 -40.443 -3.219 -8.466
20 HA SER 4 HA SER 4 -40.018 -2.455 -10.618
21 HB2 SER 4 HB3 SER 4 -41.472 -0.776 -11.381
22 HB3 SER 4 HB2 SER 4 -42.328 -1.460 -10.002
23 HG SER 4 HG SER 4 -40.828 0.936 -10.165
24 H ARG 5 H ARG 5 -37.877 -2.059 -8.960
25 HA ARG 5 HA ARG 5 -36.908 0.568 -8.753
26 HB2 ARG 5 HB3 ARG 5 -35.439 -2.065 -9.004
27 HB3 ARG 5 HB2 ARG 5 -34.632 -0.527 -8.696
28 HG2 ARG 5 HG3 ARG 5 -35.977 -0.199 -6.667
29 HG3 ARG 5 HG2 ARG 5 -36.832 -1.710 -6.973
30 HD2 ARG 5 HD3 ARG 5 -34.690 -2.941 -6.811
31 HD3 ARG 5 HD2 ARG 5 -33.857 -1.428 -6.467
32 HE ARG 5 HE ARG 5 -35.444 -2.970 -4.622
33 HH11 ARG 5 HH11 ARG 5 -35.605 -2.138 -2.515
34 HH12 ARG 5 HH12 ARG 5 -35.170 -0.489 -2.206
35 HH21 ARG 5 HH21 ARG 5 -34.334 0.186 -5.501
36 HH22 ARG 5 HH22 ARG 5 -34.452 0.826 -3.896
37 H ARG 6 H ARG 6 -35.582 -1.800 -11.077
38 HA ARG 6 HA ARG 6 -34.713 -1.553 -13.166
39 HB2 ARG 6 HB3 ARG 6 -36.358 -0.998 -14.630
40 HB3 ARG 6 HB2 ARG 6 -37.332 -0.610 -13.220
41 HG2 ARG 6 HG3 ARG 6 -36.550 1.750 -13.355
42 HG3 ARG 6 HG2 ARG 6 -35.609 1.343 -14.788
43 HD2 ARG 6 HD3 ARG 6 -37.730 2.309 -15.474
44 HD3 ARG 6 HD2 ARG 6 -37.689 0.605 -15.915
45 HE ARG 6 HE ARG 6 -39.388 0.200 -14.371
46 HH11 ARG 6 HH11 ARG 6 -41.027 0.926 -12.964
47 HH12 ARG 6 HH12 ARG 6 -40.957 2.533 -12.318
48 HH21 ARG 6 HH21 ARG 6 -38.012 3.351 -13.954
49 HH22 ARG 6 HH22 ARG 6 -39.253 3.902 -12.878
50 H ASN 7 H ASN 7 -32.874 -0.661 -13.850
51 HA ASN 7 HA ASN 7 -31.134 0.826 -14.097
52 HB2 ASN 7 HB3 ASN 7 -33.043 2.245 -15.046
53 HB3 ASN 7 HB2 ASN 7 -33.069 3.051 -13.477
54 HD21 ASN 7 HD21 ASN 7 -32.334 5.042 -14.864
55 HD22 ASN 7 HD22 ASN 7 -30.674 5.184 -15.181
56 H ARG 8 H ARG 8 -30.565 -0.246 -12.031
57 HA ARG 8 HA ARG 8 -30.997 0.769 -9.486
58 HB2 ARG 8 HB3 ARG 8 -29.768 -1.374 -10.084
59 HB3 ARG 8 HB2 ARG 8 -28.359 -0.380 -10.434
60 HG2 ARG 8 HG3 ARG 8 -27.998 -1.033 -8.209
61 HG3 ARG 8 HG2 ARG 8 -28.702 0.573 -8.038
62 HD2 ARG 8 HD3 ARG 8 -30.855 -0.338 -7.484
63 HD3 ARG 8 HD2 ARG 8 -30.363 -1.962 -7.949
64 HE ARG 8 HE ARG 8 -29.365 -2.192 -5.872
65 HH11 ARG 8 HH11 ARG 8 -28.861 -1.467 -3.780
66 HH12 ARG 8 HH12 ARG 8 -28.963 0.220 -3.405
67 HH21 ARG 8 HH21 ARG 8 -29.982 1.137 -6.590
68 HH22 ARG 8 HH22 ARG 8 -29.597 1.695 -4.996
69 H LEU 9 H LEU 9 -28.044 1.384 -11.401
70 HA LEU 9 HA LEU 9 -28.086 4.195 -10.722
71 HB2 LEU 9 HB3 LEU 9 -26.972 2.625 -8.816
72 HB3 LEU 9 HB2 LEU 9 -25.563 2.848 -9.838
73 HG LEU 9 HG LEU 9 -25.591 4.557 -8.114
74 HD11 LEU 9 HD11 LEU 9 -24.748 5.257 -10.294
75 HD12 LEU 9 HD12 LEU 9 -25.566 6.598 -9.501
76 HD13 LEU 9 HD13 LEU 9 -26.370 5.725 -10.801
77 HD21 LEU 9 HD21 LEU 9 -27.393 5.854 -7.512
78 HD22 LEU 9 HD22 LEU 9 -28.263 4.425 -8.056
79 HD23 LEU 9 HD23 LEU 9 -28.116 5.827 -9.117
80 H LEU 10 H LEU 10 -28.069 2.447 -13.082
81 HA LEU 10 HA LEU 10 -26.769 1.933 -14.990
82 HB2 LEU 10 HB3 LEU 10 -26.332 4.127 -16.209
83 HB3 LEU 10 HB2 LEU 10 -27.996 3.789 -15.748
84 HG LEU 10 HG LEU 10 -26.323 5.333 -13.790
85 HD11 LEU 10 HD11 LEU 10 -27.355 6.467 -16.397
86 HD12 LEU 10 HD12 LEU 10 -25.701 6.507 -15.786
87 HD13 LEU 10 HD13 LEU 10 -26.957 7.460 -14.996
88 HD21 LEU 10 HD21 LEU 10 -28.383 6.297 -13.168
89 HD22 LEU 10 HD22 LEU 10 -28.824 4.642 -13.571
90 HD23 LEU 10 HD23 LEU 10 -29.130 5.934 -14.723
91 H GLN 11 H GLN 11 -24.839 0.959 -14.612
92 HA GLN 11 HA GLN 11 -22.546 0.750 -14.385
93 HB2 GLN 11 HB3 GLN 11 -21.810 1.859 -16.233
94 HB3 GLN 11 HB2 GLN 11 -23.055 3.087 -16.070
95 HG2 GLN 11 HG3 GLN 11 -21.668 4.338 -14.490
96 HG3 GLN 11 HG2 GLN 11 -20.450 3.064 -14.512
97 HE21 GLN 11 HE21 GLN 11 -20.316 5.984 -15.442
98 HE22 GLN 11 HE22 GLN 11 -19.753 5.883 -17.039
99 H SER 12 H SER 12 -20.750 1.426 -13.079
100 HA SER 12 HA SER 12 -19.837 2.116 -11.059
101 HB2 SER 12 HB3 SER 12 -20.064 4.384 -10.505
102 HB3 SER 12 HB2 SER 12 -20.331 4.354 -12.246
103 HG SER 12 HG SER 12 -21.903 5.543 -10.888
104 H ASP 13 H ASP 13 -20.606 0.534 -9.621
105 HA ASP 13 HA ASP 13 -23.306 0.612 -8.618
106 HB2 ASP 13 HB3 ASP 13 -22.549 -1.230 -7.146
107 HB3 ASP 13 HB2 ASP 13 -22.159 -1.528 -8.839
108 H TYR 14 H TYR 14 -23.858 0.893 -6.339
109 HA TYR 14 HA TYR 14 -22.919 3.268 -5.273
110 HB2 TYR 14 HB3 TYR 14 -25.102 2.165 -4.737
111 HB3 TYR 14 HB2 TYR 14 -24.217 1.012 -3.743
112 HD1 TYR 14 HD1 TYR 14 -25.452 4.440 -4.021
113 HD2 TYR 14 HD2 TYR 14 -23.047 1.753 -1.694
114 HE1 TYR 14 HE1 TYR 14 -25.474 6.055 -2.129
115 HE2 TYR 14 HE2 TYR 14 -23.067 3.358 0.193
116 HH TYR 14 HH TYR 14 -24.019 6.565 -0.134
117 H MET 15 H MET 15 -21.355 0.326 -5.309
118 HA MET 15 HA MET 15 -19.870 -0.666 -3.716
119 HB2 MET 15 HB3 MET 15 -18.711 0.248 -5.701
120 HB3 MET 15 HB2 MET 15 -18.472 1.770 -4.845
121 HG2 MET 15 HG3 MET 15 -16.450 0.378 -4.699
122 HG3 MET 15 HG2 MET 15 -17.166 0.572 -3.106
123 HE1 MET 15 HE1 MET 15 -17.664 -2.796 -1.825
124 HE2 MET 15 HE2 MET 15 -18.472 -1.230 -1.818
125 HE3 MET 15 HE3 MET 15 -16.718 -1.309 -1.668
126 H ASN 16 H ASN 16 -21.140 -0.082 -1.791
127 HA ASN 16 HA ASN 16 -21.130 2.022 -0.147
128 HB2 ASN 16 HB3 ASN 16 -22.025 -0.192 0.536
129 HB3 ASN 16 HB2 ASN 16 -20.376 -0.743 0.846
130 HD21 ASN 16 HD21 ASN 16 -21.252 2.594 1.574
131 HD22 ASN 16 HD22 ASN 16 -21.250 2.410 3.262
132 H MET 17 H MET 17 -19.860 2.929 1.497
133 HA MET 17 HA MET 17 -17.922 3.598 2.594
134 HB2 MET 17 HB3 MET 17 -16.307 1.590 0.995
135 HB3 MET 17 HB2 MET 17 -15.851 2.422 2.464
136 HG2 MET 17 HG3 MET 17 -16.529 0.538 3.554
137 HG3 MET 17 HG2 MET 17 -18.170 1.081 3.253
138 HE1 MET 17 HE1 MET 17 -18.983 -1.097 3.578
139 HE2 MET 17 HE2 MET 17 -17.554 -2.122 3.632
140 HE3 MET 17 HE3 MET 17 -18.853 -2.493 2.502
141 H THR 18 H THR 18 -16.924 2.636 -0.684
142 HA THR 18 HA THR 18 -17.046 5.178 -1.807
143 HB THR 18 HB THR 18 -14.926 5.069 0.016
144 HG1 THR 18 HG1 THR 18 -14.978 7.084 -0.490
145 HG21 THR 18 HG21 THR 18 -12.891 5.233 -1.283
146 HG22 THR 18 HG22 THR 18 -13.779 5.002 -2.787
147 HG23 THR 18 HG23 THR 18 -13.643 3.677 -1.632
148 HA PRO 19 HA PRO 19 -16.285 2.620 -5.322
149 HB2 PRO 19 HB3 PRO 19 -15.455 4.397 -7.206
150 HB3 PRO 19 HB2 PRO 19 -17.118 4.395 -6.579
151 HG2 PRO 19 HG3 PRO 19 -14.808 6.130 -5.792
152 HG3 PRO 19 HG2 PRO 19 -16.488 6.589 -6.134
153 HD2 PRO 19 HD3 PRO 19 -15.569 6.274 -3.593
154 HD3 PRO 19 HD2 PRO 19 -17.247 5.894 -4.044
155 H ARG 20 H ARG 20 -14.674 1.431 -6.328
156 HA ARG 20 HA ARG 20 -12.284 0.918 -5.269
157 HB2 ARG 20 HB3 ARG 20 -11.452 0.121 -7.411
158 HB3 ARG 20 HB2 ARG 20 -13.163 -0.264 -7.263
159 HG2 ARG 20 HG3 ARG 20 -13.758 1.619 -8.713
160 HG3 ARG 20 HG2 ARG 20 -12.082 2.151 -8.763
161 HD2 ARG 20 HD3 ARG 20 -11.403 0.182 -9.950
162 HD3 ARG 20 HD2 ARG 20 -12.973 -0.578 -9.703
163 HE ARG 20 HE ARG 20 -13.710 0.552 -11.574
164 HH11 ARG 20 HH11 ARG 20 -13.580 2.084 -13.235
165 HH12 ARG 20 HH12 ARG 20 -12.363 3.315 -13.185
166 HH21 ARG 20 HH21 ARG 20 -11.005 2.228 -10.187
167 HH22 ARG 20 HH22 ARG 20 -10.910 3.397 -11.462
168 H ARG 21 H ARG 21 -10.105 1.534 -5.481
169 HA ARG 21 HA ARG 21 -9.729 4.397 -5.861
170 HB2 ARG 21 HB3 ARG 21 -7.250 3.574 -5.244
171 HB3 ARG 21 HB2 ARG 21 -8.490 3.768 -4.009
172 HG2 ARG 21 HG3 ARG 21 -7.297 1.602 -3.813
173 HG3 ARG 21 HG2 ARG 21 -9.017 1.384 -4.108
174 HD2 ARG 21 HD3 ARG 21 -8.681 0.680 -6.319
175 HD3 ARG 21 HD2 ARG 21 -7.104 1.459 -6.437
176 HE ARG 21 HE ARG 21 -7.600 -1.206 -5.564
177 HH11 ARG 21 HH11 ARG 21 -5.859 -2.378 -4.698
178 HH12 ARG 21 HH12 ARG 21 -4.444 -1.543 -4.150
179 HH21 ARG 21 HH21 ARG 21 -5.660 1.602 -4.955
180 HH22 ARG 21 HH22 ARG 21 -4.334 0.707 -4.293
181 HA PRO 22 HA PRO 22 -8.070 4.005 -9.939
182 HB2 PRO 22 HB3 PRO 22 -6.310 6.079 -10.071
183 HB3 PRO 22 HB2 PRO 22 -8.068 6.334 -9.999
184 HG2 PRO 22 HG3 PRO 22 -6.047 6.485 -7.799
185 HG3 PRO 22 HG2 PRO 22 -7.392 7.584 -8.162
186 HD2 PRO 22 HD3 PRO 22 -7.556 5.667 -6.221
187 HD3 PRO 22 HD2 PRO 22 -8.974 6.200 -7.154
188 H GLY 23 H GLY 23 -6.502 2.780 -10.893
189 HA2 GLY 23 HA2 GLY 23 -4.504 1.530 -9.295
190 HA3 GLY 23 HA1 GLY 23 -4.634 1.404 -11.048
191 H LEU 24 H LEU 24 -2.574 2.289 -8.702
192 HA LEU 24 HA LEU 24 -0.839 3.692 -10.468
193 HB2 LEU 24 HB3 LEU 24 -2.569 5.462 -9.800
194 HB3 LEU 24 HB2 LEU 24 -1.878 5.360 -8.184
195 HG LEU 24 HG LEU 24 0.423 5.701 -9.495
196 HD11 LEU 24 HD11 LEU 24 0.195 7.124 -11.454
197 HD12 LEU 24 HD12 LEU 24 -1.561 7.127 -11.295
198 HD13 LEU 24 HD13 LEU 24 -0.718 5.645 -11.740
199 HD21 LEU 24 HD21 LEU 24 -0.300 7.264 -7.818
200 HD22 LEU 24 HD22 LEU 24 -1.606 7.857 -8.845
201 HD23 LEU 24 HD23 LEU 24 0.071 8.207 -9.260
202 H THR 25 H THR 25 -0.469 1.428 -9.007
203 HA THR 25 HA THR 25 1.468 2.290 -6.918
204 HB THR 25 HB THR 25 1.004 0.132 -5.758
205 HG1 THR 25 HG1 THR 25 -1.134 -0.009 -7.613
206 HG21 THR 25 HG21 THR 25 -1.173 2.186 -6.106
207 HG22 THR 25 HG22 THR 25 -0.178 1.839 -4.690
208 HG23 THR 25 HG23 THR 25 -1.483 0.745 -5.141
209 H ARG 26 H ARG 26 0.759 -0.885 -8.285
210 HA ARG 26 HA ARG 26 2.315 -2.488 -8.969
211 HB2 ARG 26 HB3 ARG 26 3.240 -1.767 -11.254
212 HB3 ARG 26 HB2 ARG 26 1.489 -1.793 -11.065
213 HG2 ARG 26 HG3 ARG 26 1.446 0.612 -10.690
214 HG3 ARG 26 HG2 ARG 26 3.209 0.684 -10.736
215 HD2 ARG 26 HD3 ARG 26 1.448 -0.241 -13.025
216 HD3 ARG 26 HD2 ARG 26 2.167 1.364 -12.896
217 HE ARG 26 HE ARG 26 3.537 -1.098 -13.599
218 HH11 ARG 26 HH11 ARG 26 5.717 -0.845 -14.196
219 HH12 ARG 26 HH12 ARG 26 6.532 0.646 -13.862
220 HH21 ARG 26 HH21 ARG 26 3.768 2.134 -12.387
221 HH22 ARG 26 HH22 ARG 26 5.429 2.332 -12.839
222 H LYS 27 H LYS 27 3.654 -1.839 -6.978
223 HA LYS 27 HA LYS 27 5.687 -1.517 -6.025
224 HB2 LYS 27 HB3 LYS 27 7.237 -2.788 -7.110
225 HB3 LYS 27 HB2 LYS 27 6.104 -2.876 -8.452
226 HG2 LYS 27 HG3 LYS 27 7.120 -0.757 -9.368
227 HG3 LYS 27 HG2 LYS 27 8.315 -0.834 -8.078
228 HD2 LYS 27 HD3 LYS 27 9.467 -1.953 -9.761
229 HD3 LYS 27 HD2 LYS 27 8.660 -3.314 -8.987
230 HE2 LYS 27 HE3 LYS 27 8.357 -3.473 -11.400
231 HE3 LYS 27 HE2 LYS 27 6.805 -3.099 -10.656
232 HZ1 LYS 27 HZ1 LYS 27 8.644 -1.079 -11.823
233 HZ2 LYS 27 HZ2 LYS 27 7.086 -0.797 -11.206
234 HZ3 LYS 27 HZ3 LYS 27 7.289 -1.722 -12.616
235 HA PRO 28 HA PRO 28 6.475 2.795 -6.432
236 HB2 PRO 28 HB3 PRO 28 9.024 3.056 -5.432
237 HB3 PRO 28 HB2 PRO 28 7.605 2.737 -4.416
238 HG2 PRO 28 HG3 PRO 28 9.665 0.834 -5.428
239 HG3 PRO 28 HG2 PRO 28 8.900 0.915 -3.833
240 HD2 PRO 28 HD3 PRO 28 8.132 -0.889 -5.737
241 HD3 PRO 28 HD2 PRO 28 7.000 -0.225 -4.535
242 H TYR 29 H TYR 29 7.262 0.944 -8.709
243 HA TYR 29 HA TYR 29 8.421 0.954 -10.702
244 HB2 TYR 29 HB3 TYR 29 8.662 3.274 -11.718
245 HB3 TYR 29 HB2 TYR 29 7.033 2.785 -11.264
246 HD1 TYR 29 HD1 TYR 29 9.925 4.905 -10.327
247 HD2 TYR 29 HD2 TYR 29 5.846 3.872 -9.469
248 HE1 TYR 29 HE1 TYR 29 9.734 6.890 -8.858
249 HE2 TYR 29 HE2 TYR 29 5.655 5.861 -7.999
250 HH TYR 29 HH TYR 29 7.281 8.348 -8.051
251 H GLN 30 H GLN 30 10.426 0.505 -11.236
252 HA GLN 30 HA GLN 30 12.712 0.181 -10.704
253 HB2 GLN 30 HB3 GLN 30 14.012 1.897 -11.771
254 HB3 GLN 30 HB2 GLN 30 12.519 1.703 -12.678
255 HG2 GLN 30 HG3 GLN 30 11.792 3.680 -10.914
256 HG3 GLN 30 HG2 GLN 30 13.495 4.038 -11.102
257 HE21 GLN 30 HE21 GLN 30 13.087 5.987 -12.336
258 HE22 GLN 30 HE22 GLN 30 12.475 5.931 -13.919
259 HA PRO 31 HA PRO 31 12.345 1.958 -6.403
260 HB2 PRO 31 HB3 PRO 31 14.030 -0.495 -6.027
261 HB3 PRO 31 HB2 PRO 31 12.700 0.122 -5.026
262 HG2 PRO 31 HG3 PRO 31 12.332 -1.942 -6.657
263 HG3 PRO 31 HG2 PRO 31 11.073 -0.713 -6.445
264 HD2 PRO 31 HD3 PRO 31 12.918 -1.134 -8.762
265 HD3 PRO 31 HD2 PRO 31 11.248 -0.520 -8.746
266 H TYR 32 H TYR 32 15.226 0.528 -7.896
267 HA TYR 32 HA TYR 32 17.465 1.090 -7.778
268 HB2 TYR 32 HB3 TYR 32 17.889 3.142 -8.737
269 HB3 TYR 32 HB2 TYR 32 16.163 3.038 -9.052
270 HD1 TYR 32 HD1 TYR 32 14.606 4.547 -7.997
271 HD2 TYR 32 HD2 TYR 32 18.739 4.508 -6.821
272 HE1 TYR 32 HE1 TYR 32 14.265 6.645 -6.713
273 HE2 TYR 32 HE2 TYR 32 18.397 6.602 -5.542
274 HH TYR 32 HH TYR 32 15.815 8.602 -5.946
275 H ALA 33 H ALA 33 18.612 0.657 -6.020
276 HA ALA 33 HA ALA 33 18.820 2.627 -3.896
277 HB1 ALA 33 HB1 ALA 33 17.956 -0.164 -3.136
278 HB2 ALA 33 HB2 ALA 33 16.818 1.172 -3.306
279 HB3 ALA 33 HB3 ALA 33 18.097 1.252 -2.095
280 HA PRO 34 HA PRO 34 22.614 0.064 -5.106
281 HB2 PRO 34 HB3 PRO 34 23.743 2.818 -4.733
282 HB3 PRO 34 HB2 PRO 34 24.127 1.599 -5.964
283 HG2 PRO 34 HG3 PRO 34 22.628 3.698 -6.568
284 HG3 PRO 34 HG2 PRO 34 22.242 2.095 -7.224
285 HD2 PRO 34 HD3 PRO 34 20.895 3.595 -5.000
286 HD3 PRO 34 HD2 PRO 34 20.183 2.538 -6.242
287 H ALA 35 H ALA 35 22.107 -0.849 -2.979
288 HA ALA 35 HA ALA 35 23.146 0.510 -0.621
289 HB1 ALA 35 HB1 ALA 35 21.150 -0.877 -0.322
290 HB2 ALA 35 HB2 ALA 35 22.485 -1.509 0.633
291 HB3 ALA 35 HB3 ALA 35 22.027 -2.308 -0.867
292 H ARG 36 H ARG 36 23.794 -2.813 -1.775
293 HA ARG 36 HA ARG 36 25.770 -3.992 -0.991
294 HB2 ARG 36 HB3 ARG 36 27.340 -3.681 -3.030
295 HB3 ARG 36 HB2 ARG 36 25.725 -4.301 -3.302
296 HG2 ARG 36 HG3 ARG 36 25.957 -2.684 -4.989
297 HG3 ARG 36 HG2 ARG 36 25.059 -1.818 -3.757
298 HD2 ARG 36 HD3 ARG 36 28.072 -1.685 -3.852
299 HD3 ARG 36 HD2 ARG 36 27.077 -0.625 -4.842
300 HE ARG 36 HE ARG 36 26.350 -0.655 -2.049
301 HH11 ARG 36 HH11 ARG 36 26.743 1.298 -0.915
302 HH12 ARG 36 HH12 ARG 36 27.725 2.525 -1.645
303 HH21 ARG 36 HH21 ARG 36 28.304 0.719 -4.545
304 HH22 ARG 36 HH22 ARG 36 28.607 2.197 -3.695
305 H ASP 37 H ASP 37 26.003 -2.258 0.839
306 HA ASP 37 HA ASP 37 27.635 -0.160 1.027
307 HB2 ASP 37 HB3 ASP 37 26.695 -1.226 3.010
308 HB3 ASP 37 HB2 ASP 37 27.830 -2.568 2.845
309 H PHE 38 H PHE 38 29.425 -2.884 2.147
310 HA PHE 38 HA PHE 38 31.263 -3.190 0.052
311 HB2 PHE 38 HB3 PHE 38 31.618 -0.684 1.207
312 HB3 PHE 38 HB2 PHE 38 32.795 -1.651 2.078
313 HD1 PHE 38 HD1 PHE 38 31.949 -0.065 -1.073
314 HD2 PHE 38 HD2 PHE 38 34.524 -2.973 0.771
315 HE1 PHE 38 HE1 PHE 38 33.463 0.027 -3.034
316 HE2 PHE 38 HE2 PHE 38 36.036 -2.875 -1.193
317 HZ PHE 38 HZ PHE 38 35.505 -1.375 -3.095
318 H ALA 39 H ALA 39 29.864 -4.463 2.414
319 HA ALA 39 HA ALA 39 30.259 -6.176 3.916
320 HB1 ALA 39 HB1 ALA 39 32.746 -6.454 2.209
321 HB2 ALA 39 HB2 ALA 39 31.226 -7.330 2.025
322 HB3 ALA 39 HB3 ALA 39 32.244 -7.618 3.435
323 H ALA 40 H ALA 40 30.720 -3.787 4.940
324 HA ALA 40 HA ALA 40 31.930 -2.518 6.466
325 HB1 ALA 40 HB1 ALA 40 31.021 -4.067 7.995
326 HB2 ALA 40 HB2 ALA 40 32.736 -4.001 8.400
327 HB3 ALA 40 HB3 ALA 40 32.101 -5.356 7.465
328 H TYR 41 H TYR 41 33.476 -3.062 4.155
329 HA TYR 41 HA TYR 41 35.684 -3.195 3.378
330 HB2 TYR 41 HB3 TYR 41 35.584 -0.984 4.499
331 HB3 TYR 41 HB2 TYR 41 36.141 -1.734 5.995
332 HD1 TYR 41 HD1 TYR 41 37.056 -1.276 2.395
333 HD2 TYR 41 HD2 TYR 41 38.451 -2.034 6.387
334 HE1 TYR 41 HE1 TYR 41 39.401 -1.075 1.614
335 HE2 TYR 41 HE2 TYR 41 40.796 -1.833 5.604
336 HH TYR 41 HH TYR 41 41.978 -2.182 3.228
337 H ARG 42 H ARG 42 34.690 -5.245 5.479
338 HA ARG 42 HA ARG 42 36.630 -6.169 7.170
339 HB2 ARG 42 HB3 ARG 42 34.615 -7.614 5.471
340 HB3 ARG 42 HB2 ARG 42 35.882 -8.582 6.201
341 HG2 ARG 42 HG3 ARG 42 35.273 -7.915 8.412
342 HG3 ARG 42 HG2 ARG 42 34.209 -6.642 7.818
343 HD2 ARG 42 HD3 ARG 42 32.660 -8.250 6.918
344 HD3 ARG 42 HD2 ARG 42 33.779 -9.577 7.217
345 HE ARG 42 HE ARG 42 31.976 -8.425 9.118
346 HH11 ARG 42 HH11 ARG 42 32.109 -9.186 11.255
347 HH12 ARG 42 HH12 ARG 42 33.517 -10.052 11.773
348 HH21 ARG 42 HH21 ARG 42 35.110 -9.829 8.701
349 HH22 ARG 42 HH22 ARG 42 35.217 -10.415 10.328
350 HA PRO 43 HA PRO 43 40.491 -7.175 5.288
351 HB2 PRO 43 HB3 PRO 43 39.696 -10.039 5.792
352 HB3 PRO 43 HB2 PRO 43 41.278 -9.262 6.021
353 HG2 PRO 43 HG3 PRO 43 39.645 -9.662 8.084
354 HG3 PRO 43 HG2 PRO 43 40.617 -8.181 7.956
355 HD2 PRO 43 HD3 PRO 43 37.683 -8.512 7.645
356 HD3 PRO 43 HD2 PRO 43 38.616 -7.047 8.026
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -38.144 7.366 -8.573
2 H2 GLY 1 H2 GLY 1 -38.155 6.679 -10.126
3 H3 GLY 1 H3 GLY 1 -36.687 7.157 -9.416
4 HA2 GLY 1 HA2 GLY 1 -36.608 5.380 -7.985
5 HA3 GLY 1 HA1 GLY 1 -38.356 5.155 -8.056
6 H THR 2 H THR 2 -38.537 3.090 -8.795
7 HA THR 2 HA THR 2 -38.586 1.356 -10.298
8 HB THR 2 HB THR 2 -38.671 1.865 -12.572
9 HG1 THR 2 HG1 THR 2 -37.194 4.207 -12.422
10 HG21 THR 2 HG21 THR 2 -38.958 4.716 -11.697
11 HG22 THR 2 HG22 THR 2 -40.026 3.522 -10.957
12 HG23 THR 2 HG23 THR 2 -40.027 3.745 -12.706
13 H ASN 3 H ASN 3 -37.204 -0.286 -11.082
14 HA ASN 3 HA ASN 3 -34.466 -0.072 -10.203
15 HB2 ASN 3 HB3 ASN 3 -35.780 -2.301 -11.805
16 HB3 ASN 3 HB2 ASN 3 -34.247 -2.391 -10.937
17 HD21 ASN 3 HD21 ASN 3 -37.391 -0.950 -9.914
18 HD22 ASN 3 HD22 ASN 3 -37.530 -1.905 -8.520
19 H SER 4 H SER 4 -34.313 -1.880 -13.014
20 HA SER 4 HA SER 4 -33.038 -1.545 -14.925
21 HB2 SER 4 HB3 SER 4 -33.934 0.094 -16.411
22 HB3 SER 4 HB2 SER 4 -35.292 -0.517 -15.471
23 HG SER 4 HG SER 4 -33.807 1.728 -14.629
24 H ARG 5 H ARG 5 -31.620 -0.852 -12.678
25 HA ARG 5 HA ARG 5 -30.625 1.751 -12.535
26 HB2 ARG 5 HB3 ARG 5 -29.243 -0.878 -11.952
27 HB3 ARG 5 HB2 ARG 5 -28.554 0.695 -11.560
28 HG2 ARG 5 HG3 ARG 5 -30.540 1.224 -10.187
29 HG3 ARG 5 HG2 ARG 5 -31.220 -0.357 -10.558
30 HD2 ARG 5 HD3 ARG 5 -29.142 -1.389 -9.556
31 HD3 ARG 5 HD2 ARG 5 -28.671 0.224 -9.029
32 HE ARG 5 HE ARG 5 -30.779 -1.423 -7.898
33 HH11 ARG 5 HH11 ARG 5 -31.809 -0.558 -6.064
34 HH12 ARG 5 HH12 ARG 5 -31.560 1.103 -5.637
35 HH21 ARG 5 HH21 ARG 5 -29.429 1.743 -8.297
36 HH22 ARG 5 HH22 ARG 5 -30.212 2.403 -6.901
37 H ARG 6 H ARG 6 -29.363 -0.977 -14.489
38 HA ARG 6 HA ARG 6 -27.823 -1.089 -16.163
39 HB2 ARG 6 HB3 ARG 6 -28.280 0.376 -18.080
40 HB3 ARG 6 HB2 ARG 6 -29.762 -0.273 -17.389
41 HG2 ARG 6 HG3 ARG 6 -30.245 1.823 -16.288
42 HG3 ARG 6 HG2 ARG 6 -28.673 2.483 -16.736
43 HD2 ARG 6 HD3 ARG 6 -30.316 3.360 -18.273
44 HD3 ARG 6 HD2 ARG 6 -29.350 2.176 -19.149
45 HE ARG 6 HE ARG 6 -31.229 0.785 -19.275
46 HH11 ARG 6 HH11 ARG 6 -33.482 0.475 -19.118
47 HH12 ARG 6 HH12 ARG 6 -34.423 1.510 -18.098
48 HH21 ARG 6 HH21 ARG 6 -31.713 3.406 -17.064
49 HH22 ARG 6 HH22 ARG 6 -33.424 3.166 -16.937
50 H ASN 7 H ASN 7 -25.737 -0.619 -16.621
51 HA ASN 7 HA ASN 7 -23.663 0.312 -16.136
52 HB2 ASN 7 HB3 ASN 7 -23.492 2.688 -16.931
53 HB3 ASN 7 HB2 ASN 7 -24.252 1.600 -18.086
54 HD21 ASN 7 HD21 ASN 7 -25.028 4.191 -15.693
55 HD22 ASN 7 HD22 ASN 7 -26.552 4.528 -16.357
56 H ARG 8 H ARG 8 -24.215 -0.157 -13.809
57 HA ARG 8 HA ARG 8 -25.292 1.521 -11.959
58 HB2 ARG 8 HB3 ARG 8 -23.976 -0.765 -11.615
59 HB3 ARG 8 HB2 ARG 8 -22.631 0.302 -11.242
60 HG2 ARG 8 HG3 ARG 8 -23.644 -0.092 -9.140
61 HG3 ARG 8 HG2 ARG 8 -24.248 1.490 -9.615
62 HD2 ARG 8 HD3 ARG 8 -26.392 0.661 -10.118
63 HD3 ARG 8 HD2 ARG 8 -25.823 -0.994 -10.300
64 HE ARG 8 HE ARG 8 -26.148 -1.272 -8.031
65 HH11 ARG 8 HH11 ARG 8 -26.613 -0.567 -5.919
66 HH12 ARG 8 HH12 ARG 8 -26.628 1.128 -5.562
67 HH21 ARG 8 HH21 ARG 8 -25.846 2.083 -8.804
68 HH22 ARG 8 HH22 ARG 8 -26.195 2.629 -7.197
69 H LEU 9 H LEU 9 -21.962 1.727 -13.195
70 HA LEU 9 HA LEU 9 -21.936 4.553 -13.116
71 HB2 LEU 9 HB3 LEU 9 -21.695 3.678 -10.592
72 HB3 LEU 9 HB2 LEU 9 -20.010 3.525 -11.061
73 HG LEU 9 HG LEU 9 -20.384 5.700 -10.028
74 HD11 LEU 9 HD11 LEU 9 -18.746 5.657 -11.837
75 HD12 LEU 9 HD12 LEU 9 -19.585 7.200 -11.809
76 HD13 LEU 9 HD13 LEU 9 -20.012 5.994 -13.019
77 HD21 LEU 9 HD21 LEU 9 -22.073 7.173 -10.537
78 HD22 LEU 9 HD22 LEU 9 -22.897 5.672 -10.940
79 HD23 LEU 9 HD23 LEU 9 -22.193 6.657 -12.218
80 H LEU 10 H LEU 10 -21.289 2.467 -14.945
81 HA LEU 10 HA LEU 10 -19.436 1.474 -16.092
82 HB2 LEU 10 HB3 LEU 10 -18.360 3.397 -17.407
83 HB3 LEU 10 HB2 LEU 10 -20.095 3.172 -17.577
84 HG LEU 10 HG LEU 10 -19.189 5.021 -15.395
85 HD11 LEU 10 HD11 LEU 10 -17.714 5.803 -17.119
86 HD12 LEU 10 HD12 LEU 10 -19.078 6.916 -17.061
87 HD13 LEU 10 HD13 LEU 10 -18.986 5.702 -18.336
88 HD21 LEU 10 HD21 LEU 10 -21.321 5.557 -17.463
89 HD22 LEU 10 HD22 LEU 10 -21.249 6.084 -15.782
90 HD23 LEU 10 HD23 LEU 10 -21.630 4.410 -16.164
91 H GLN 11 H GLN 11 -17.858 0.555 -14.824
92 HA GLN 11 HA GLN 11 -15.769 0.362 -13.844
93 HB2 GLN 11 HB3 GLN 11 -14.235 1.401 -15.165
94 HB3 GLN 11 HB2 GLN 11 -15.479 2.459 -15.802
95 HG2 GLN 11 HG3 GLN 11 -15.107 4.024 -13.918
96 HG3 GLN 11 HG2 GLN 11 -13.860 2.954 -13.281
97 HE21 GLN 11 HE21 GLN 11 -13.659 5.788 -14.399
98 HE22 GLN 11 HE22 GLN 11 -12.482 5.681 -15.617
99 H SER 12 H SER 12 -14.727 0.975 -11.923
100 HA SER 12 HA SER 12 -14.658 1.771 -9.746
101 HB2 SER 12 HB3 SER 12 -14.775 4.088 -9.473
102 HB3 SER 12 HB2 SER 12 -14.382 3.919 -11.181
103 HG SER 12 HG SER 12 -16.137 5.387 -10.693
104 H ASP 13 H ASP 13 -16.158 0.292 -8.845
105 HA ASP 13 HA ASP 13 -18.986 0.552 -8.979
106 HB2 ASP 13 HB3 ASP 13 -17.936 -1.568 -8.319
107 HB3 ASP 13 HB2 ASP 13 -17.299 -0.810 -6.857
108 H TYR 14 H TYR 14 -20.481 1.370 -7.490
109 HA TYR 14 HA TYR 14 -19.812 3.765 -6.242
110 HB2 TYR 14 HB3 TYR 14 -22.096 3.109 -7.024
111 HB3 TYR 14 HB2 TYR 14 -22.194 2.007 -5.651
112 HD1 TYR 14 HD1 TYR 14 -22.277 5.495 -6.738
113 HD2 TYR 14 HD2 TYR 14 -22.223 2.873 -3.340
114 HE1 TYR 14 HE1 TYR 14 -22.957 7.379 -5.270
115 HE2 TYR 14 HE2 TYR 14 -22.902 4.746 -1.873
116 HH TYR 14 HH TYR 14 -22.972 8.038 -3.018
117 H MET 15 H MET 15 -19.216 0.638 -5.186
118 HA MET 15 HA MET 15 -19.174 -0.241 -2.948
119 HB2 MET 15 HB3 MET 15 -16.935 -0.040 -3.933
120 HB3 MET 15 HB2 MET 15 -16.800 1.595 -3.302
121 HG2 MET 15 HG3 MET 15 -15.625 -0.018 -1.849
122 HG3 MET 15 HG2 MET 15 -16.955 0.742 -0.994
123 HE1 MET 15 HE1 MET 15 -17.414 -0.778 0.798
124 HE2 MET 15 HE2 MET 15 -18.540 -2.116 0.581
125 HE3 MET 15 HE3 MET 15 -18.973 -0.505 0.007
126 H ASN 16 H ASN 16 -21.020 0.832 -2.026
127 HA ASN 16 HA ASN 16 -21.453 3.190 -0.879
128 HB2 ASN 16 HB3 ASN 16 -22.904 1.187 -0.455
129 HB3 ASN 16 HB2 ASN 16 -21.749 0.662 0.773
130 HD21 ASN 16 HD21 ASN 16 -22.112 4.104 0.524
131 HD22 ASN 16 HD22 ASN 16 -23.112 4.305 1.880
132 H MET 17 H MET 17 -20.920 4.380 0.912
133 HA MET 17 HA MET 17 -19.692 5.072 2.776
134 HB2 MET 17 HB3 MET 17 -17.813 2.710 2.460
135 HB3 MET 17 HB2 MET 17 -18.004 3.767 3.841
136 HG2 MET 17 HG3 MET 17 -19.509 2.311 4.728
137 HG3 MET 17 HG2 MET 17 -20.589 2.628 3.385
138 HE1 MET 17 HE1 MET 17 -20.699 -0.514 4.667
139 HE2 MET 17 HE2 MET 17 -21.139 -0.962 3.020
140 HE3 MET 17 HE3 MET 17 -21.651 0.591 3.668
141 H THR 18 H THR 18 -17.977 3.729 -0.026
142 HA THR 18 HA THR 18 -16.996 6.163 -0.903
143 HB THR 18 HB THR 18 -15.471 5.031 1.311
144 HG1 THR 18 HG1 THR 18 -14.832 7.137 1.442
145 HG21 THR 18 HG21 THR 18 -13.232 5.647 0.360
146 HG22 THR 18 HG22 THR 18 -13.981 5.728 -1.235
147 HG23 THR 18 HG23 THR 18 -13.930 4.197 -0.362
148 HA PRO 19 HA PRO 19 -16.259 3.512 -4.470
149 HB2 PRO 19 HB3 PRO 19 -13.901 5.271 -5.041
150 HB3 PRO 19 HB2 PRO 19 -15.232 4.790 -6.109
151 HG2 PRO 19 HG3 PRO 19 -15.069 7.240 -5.002
152 HG3 PRO 19 HG2 PRO 19 -16.613 6.443 -5.352
153 HD2 PRO 19 HD3 PRO 19 -15.336 6.951 -2.716
154 HD3 PRO 19 HD2 PRO 19 -17.045 6.669 -3.124
155 H ARG 20 H ARG 20 -15.046 1.689 -4.798
156 HA ARG 20 HA ARG 20 -13.469 0.454 -3.010
157 HB2 ARG 20 HB3 ARG 20 -12.306 -0.750 -4.863
158 HB3 ARG 20 HB2 ARG 20 -14.056 -0.697 -5.057
159 HG2 ARG 20 HG3 ARG 20 -13.950 0.671 -6.920
160 HG3 ARG 20 HG2 ARG 20 -12.544 1.554 -6.326
161 HD2 ARG 20 HD3 ARG 20 -11.052 -0.176 -7.014
162 HD3 ARG 20 HD2 ARG 20 -12.374 -1.309 -7.285
163 HE ARG 20 HE ARG 20 -12.615 -0.388 -9.390
164 HH11 ARG 20 HH11 ARG 20 -12.263 1.165 -11.010
165 HH12 ARG 20 HH12 ARG 20 -11.460 2.650 -10.618
166 HH21 ARG 20 HH21 ARG 20 -11.027 1.848 -7.274
167 HH22 ARG 20 HH22 ARG 20 -10.762 3.034 -8.507
168 H ARG 21 H ARG 21 -11.281 0.278 -2.467
169 HA ARG 21 HA ARG 21 -9.784 2.497 -2.072
170 HB2 ARG 21 HB3 ARG 21 -7.729 0.819 -2.369
171 HB3 ARG 21 HB2 ARG 21 -8.855 0.647 -1.027
172 HG2 ARG 21 HG3 ARG 21 -8.431 -1.516 -2.143
173 HG3 ARG 21 HG2 ARG 21 -10.122 -1.048 -2.283
174 HD2 ARG 21 HD3 ARG 21 -9.935 -0.567 -4.559
175 HD3 ARG 21 HD2 ARG 21 -8.202 -0.264 -4.461
176 HE ARG 21 HE ARG 21 -9.441 -2.772 -5.000
177 HH11 ARG 21 HH11 ARG 21 -8.095 -4.605 -5.103
178 HH12 ARG 21 HH12 ARG 21 -6.509 -4.547 -4.409
179 HH21 ARG 21 HH21 ARG 21 -6.808 -1.263 -3.340
180 HH22 ARG 21 HH22 ARG 21 -5.781 -2.656 -3.413
181 HA PRO 22 HA PRO 22 -8.354 3.934 -5.998
182 HB2 PRO 22 HB3 PRO 22 -5.981 5.124 -5.380
183 HB3 PRO 22 HB2 PRO 22 -7.542 5.789 -4.850
184 HG2 PRO 22 HG3 PRO 22 -5.613 4.079 -3.334
185 HG3 PRO 22 HG2 PRO 22 -6.442 5.559 -2.814
186 HD2 PRO 22 HD3 PRO 22 -7.344 3.100 -2.103
187 HD3 PRO 22 HD2 PRO 22 -8.461 4.449 -2.417
188 H GLY 23 H GLY 23 -7.837 2.383 -7.433
189 HA2 GLY 23 HA2 GLY 23 -6.011 0.289 -7.125
190 HA3 GLY 23 HA1 GLY 23 -6.535 0.922 -8.686
191 H LEU 24 H LEU 24 -3.990 0.706 -6.440
192 HA LEU 24 HA LEU 24 -2.364 2.682 -7.954
193 HB2 LEU 24 HB3 LEU 24 -2.193 1.766 -5.070
194 HB3 LEU 24 HB2 LEU 24 -0.841 2.549 -5.877
195 HG LEU 24 HG LEU 24 -3.547 3.859 -6.054
196 HD11 LEU 24 HD11 LEU 24 -3.023 5.098 -3.938
197 HD12 LEU 24 HD12 LEU 24 -1.718 3.951 -3.637
198 HD13 LEU 24 HD13 LEU 24 -3.389 3.392 -3.682
199 HD21 LEU 24 HD21 LEU 24 -1.364 4.648 -7.216
200 HD22 LEU 24 HD22 LEU 24 -0.834 5.125 -5.607
201 HD23 LEU 24 HD23 LEU 24 -2.278 5.851 -6.309
202 H THR 25 H THR 25 -2.985 -0.186 -8.540
203 HA THR 25 HA THR 25 -0.326 -1.443 -8.303
204 HB THR 25 HB THR 25 -1.568 -3.400 -9.446
205 HG1 THR 25 HG1 THR 25 -3.640 -1.572 -8.931
206 HG21 THR 25 HG21 THR 25 -2.223 -2.407 -6.660
207 HG22 THR 25 HG22 THR 25 -1.160 -3.730 -7.144
208 HG23 THR 25 HG23 THR 25 -2.904 -3.908 -7.284
209 H ARG 26 H ARG 26 -2.688 -0.709 -10.876
210 HA ARG 26 HA ARG 26 -1.270 -1.482 -13.096
211 HB2 ARG 26 HB3 ARG 26 -2.430 0.365 -14.328
212 HB3 ARG 26 HB2 ARG 26 -3.518 -0.611 -13.343
213 HG2 ARG 26 HG3 ARG 26 -3.382 1.087 -11.537
214 HG3 ARG 26 HG2 ARG 26 -2.324 2.067 -12.553
215 HD2 ARG 26 HD3 ARG 26 -4.547 2.943 -12.813
216 HD3 ARG 26 HD2 ARG 26 -4.157 2.074 -14.292
217 HE ARG 26 HE ARG 26 -5.756 0.453 -13.729
218 HH11 ARG 26 HH11 ARG 26 -7.564 -0.214 -12.517
219 HH12 ARG 26 HH12 ARG 26 -7.907 0.542 -10.996
220 HH21 ARG 26 HH21 ARG 26 -5.188 2.686 -11.145
221 HH22 ARG 26 HH22 ARG 26 -6.563 2.183 -10.220
222 H LYS 27 H LYS 27 0.182 -0.492 -14.517
223 HA LYS 27 HA LYS 27 1.989 0.725 -15.137
224 HB2 LYS 27 HB3 LYS 27 0.165 2.555 -14.416
225 HB3 LYS 27 HB2 LYS 27 1.365 2.914 -13.189
226 HG2 LYS 27 HG3 LYS 27 2.962 3.623 -14.749
227 HG3 LYS 27 HG2 LYS 27 2.251 2.711 -16.071
228 HD2 LYS 27 HD3 LYS 27 0.682 4.946 -14.798
229 HD3 LYS 27 HD2 LYS 27 1.926 5.315 -15.989
230 HE2 LYS 27 HE3 LYS 27 0.824 3.816 -17.611
231 HE3 LYS 27 HE2 LYS 27 -0.427 3.443 -16.430
232 HZ1 LYS 27 HZ1 LYS 27 -1.416 5.422 -16.708
233 HZ2 LYS 27 HZ2 LYS 27 -0.621 5.412 -18.209
234 HZ3 LYS 27 HZ3 LYS 27 0.043 6.265 -16.898
235 HA PRO 28 HA PRO 28 4.796 -0.438 -11.826
236 HB2 PRO 28 HB3 PRO 28 7.187 0.142 -12.959
237 HB3 PRO 28 HB2 PRO 28 6.181 -1.202 -13.545
238 HG2 PRO 28 HG3 PRO 28 6.434 1.576 -14.635
239 HG3 PRO 28 HG2 PRO 28 6.473 0.025 -15.499
240 HD2 PRO 28 HD3 PRO 28 4.218 1.553 -15.370
241 HD3 PRO 28 HD2 PRO 28 4.157 -0.228 -15.434
242 H TYR 29 H TYR 29 6.080 0.536 -10.191
243 HA TYR 29 HA TYR 29 6.055 3.502 -10.187
244 HB2 TYR 29 HB3 TYR 29 4.624 2.296 -8.461
245 HB3 TYR 29 HB2 TYR 29 6.129 1.712 -7.748
246 HD1 TYR 29 HD1 TYR 29 7.553 3.164 -6.466
247 HD2 TYR 29 HD2 TYR 29 4.186 4.763 -8.605
248 HE1 TYR 29 HE1 TYR 29 7.835 5.335 -5.295
249 HE2 TYR 29 HE2 TYR 29 4.469 6.929 -7.432
250 HH TYR 29 HH TYR 29 6.331 8.173 -6.300
251 H GLN 30 H GLN 30 8.051 0.899 -10.577
252 HA GLN 30 HA GLN 30 10.279 0.419 -9.899
253 HB2 GLN 30 HB3 GLN 30 11.787 1.799 -11.168
254 HB3 GLN 30 HB2 GLN 30 10.323 1.557 -12.112
255 HG2 GLN 30 HG3 GLN 30 9.721 3.893 -10.747
256 HG3 GLN 30 HG2 GLN 30 11.453 4.063 -10.977
257 HE21 GLN 30 HE21 GLN 30 9.460 5.712 -12.320
258 HE22 GLN 30 HE22 GLN 30 9.589 5.396 -13.983
259 HA PRO 31 HA PRO 31 10.106 3.160 -6.103
260 HB2 PRO 31 HB3 PRO 31 11.041 0.538 -4.994
261 HB3 PRO 31 HB2 PRO 31 9.855 1.682 -4.334
262 HG2 PRO 31 HG3 PRO 31 9.065 -0.573 -5.495
263 HG3 PRO 31 HG2 PRO 31 8.161 0.936 -5.730
264 HD2 PRO 31 HD3 PRO 31 10.018 -0.465 -7.625
265 HD3 PRO 31 HD2 PRO 31 8.536 0.456 -7.971
266 H TYR 32 H TYR 32 12.527 0.970 -7.388
267 HA TYR 32 HA TYR 32 14.847 0.927 -7.176
268 HB2 TYR 32 HB3 TYR 32 15.784 2.702 -8.344
269 HB3 TYR 32 HB2 TYR 32 14.092 2.878 -8.790
270 HD1 TYR 32 HD1 TYR 32 12.689 4.644 -7.723
271 HD2 TYR 32 HD2 TYR 32 16.894 4.296 -6.929
272 HE1 TYR 32 HE1 TYR 32 12.686 6.908 -6.719
273 HE2 TYR 32 HE2 TYR 32 16.893 6.564 -5.925
274 HH TYR 32 HH TYR 32 14.289 8.722 -6.261
275 H ALA 33 H ALA 33 15.595 0.400 -5.225
276 HA ALA 33 HA ALA 33 15.744 2.465 -3.095
277 HB1 ALA 33 HB1 ALA 33 15.791 0.685 -1.512
278 HB2 ALA 33 HB2 ALA 33 16.078 -0.518 -2.767
279 HB3 ALA 33 HB3 ALA 33 14.511 0.281 -2.654
280 HA PRO 34 HA PRO 34 20.119 2.085 -4.594
281 HB2 PRO 34 HB3 PRO 34 20.371 4.368 -2.664
282 HB3 PRO 34 HB2 PRO 34 21.038 4.199 -4.299
283 HG2 PRO 34 HG3 PRO 34 18.931 5.759 -3.828
284 HG3 PRO 34 HG2 PRO 34 19.058 4.804 -5.316
285 HD2 PRO 34 HD3 PRO 34 17.344 4.316 -2.911
286 HD3 PRO 34 HD2 PRO 34 17.020 3.962 -4.622
287 H ALA 35 H ALA 35 21.129 0.417 -3.658
288 HA ALA 35 HA ALA 35 21.304 0.319 -0.687
289 HB1 ALA 35 HB1 ALA 35 20.075 -1.605 -1.318
290 HB2 ALA 35 HB2 ALA 35 21.718 -2.184 -1.063
291 HB3 ALA 35 HB3 ALA 35 21.117 -1.938 -2.699
292 H ARG 36 H ARG 36 23.089 -1.280 -3.317
293 HA ARG 36 HA ARG 36 25.388 -1.913 -3.108
294 HB2 ARG 36 HB3 ARG 36 26.607 -0.096 -4.282
295 HB3 ARG 36 HB2 ARG 36 25.064 -0.492 -5.029
296 HG2 ARG 36 HG3 ARG 36 24.060 1.440 -3.703
297 HG3 ARG 36 HG2 ARG 36 25.711 1.911 -3.303
298 HD2 ARG 36 HD3 ARG 36 25.039 3.155 -5.267
299 HD3 ARG 36 HD2 ARG 36 26.248 1.965 -5.743
300 HE ARG 36 HE ARG 36 24.605 0.836 -6.965
301 HH11 ARG 36 HH11 ARG 36 22.534 0.728 -7.910
302 HH12 ARG 36 HH12 ARG 36 21.264 1.745 -7.314
303 HH21 ARG 36 HH21 ARG 36 23.245 3.262 -4.908
304 HH22 ARG 36 HH22 ARG 36 21.668 3.178 -5.620
305 H ASP 37 H ASP 37 26.441 -2.317 -1.260
306 HA ASP 37 HA ASP 37 26.701 -0.510 0.897
307 HB2 ASP 37 HB3 ASP 37 27.054 -3.070 0.942
308 HB3 ASP 37 HB2 ASP 37 28.683 -2.724 0.362
309 H PHE 38 H PHE 38 28.055 -0.402 -2.105
310 HA PHE 38 HA PHE 38 29.867 0.654 -3.040
311 HB2 PHE 38 HB3 PHE 38 28.896 2.711 -2.596
312 HB3 PHE 38 HB2 PHE 38 28.846 2.428 -0.860
313 HD1 PHE 38 HD1 PHE 38 31.183 3.229 -3.688
314 HD2 PHE 38 HD2 PHE 38 30.537 3.280 0.565
315 HE1 PHE 38 HE1 PHE 38 33.243 4.569 -3.387
316 HE2 PHE 38 HE2 PHE 38 32.599 4.624 0.858
317 HZ PHE 38 HZ PHE 38 33.950 5.271 -1.115
318 H ALA 39 H ALA 39 31.685 -0.510 -2.966
319 HA ALA 39 HA ALA 39 33.724 -1.315 -2.264
320 HB1 ALA 39 HB1 ALA 39 34.465 0.926 -2.284
321 HB2 ALA 39 HB2 ALA 39 34.976 0.305 -0.716
322 HB3 ALA 39 HB3 ALA 39 33.548 1.332 -0.835
323 H ALA 40 H ALA 40 31.447 -2.330 -0.868
324 HA ALA 40 HA ALA 40 30.839 -3.454 1.069
325 HB1 ALA 40 HB1 ALA 40 32.601 -4.941 0.397
326 HB2 ALA 40 HB2 ALA 40 32.761 -4.694 2.135
327 HB3 ALA 40 HB3 ALA 40 33.840 -3.854 1.021
328 H TYR 41 H TYR 41 31.069 -0.707 1.371
329 HA TYR 41 HA TYR 41 31.364 1.004 2.957
330 HB2 TYR 41 HB3 TYR 41 29.547 -0.314 3.956
331 HB3 TYR 41 HB2 TYR 41 30.725 -1.340 4.773
332 HD1 TYR 41 HD1 TYR 41 29.626 2.219 4.422
333 HD2 TYR 41 HD2 TYR 41 31.611 -0.701 6.869
334 HE1 TYR 41 HE1 TYR 41 29.751 3.859 6.278
335 HE2 TYR 41 HE2 TYR 41 31.737 0.939 8.724
336 HH TYR 41 HH TYR 41 31.629 3.240 9.147
337 H ARG 42 H ARG 42 33.693 -0.989 2.361
338 HA ARG 42 HA ARG 42 35.416 -1.499 4.366
339 HB2 ARG 42 HB3 ARG 42 36.043 -1.774 1.999
340 HB3 ARG 42 HB2 ARG 42 36.213 -0.023 1.848
341 HG2 ARG 42 HG3 ARG 42 38.116 0.046 3.212
342 HG3 ARG 42 HG2 ARG 42 37.744 -1.493 3.987
343 HD2 ARG 42 HD3 ARG 42 38.446 -1.262 1.053
344 HD3 ARG 42 HD2 ARG 42 39.654 -1.549 2.304
345 HE ARG 42 HE ARG 42 37.836 -3.482 1.228
346 HH11 ARG 42 HH11 ARG 42 37.847 -5.548 2.180
347 HH12 ARG 42 HH12 ARG 42 38.543 -5.768 3.750
348 HH21 ARG 42 HH21 ARG 42 39.447 -2.438 4.105
349 HH22 ARG 42 HH22 ARG 42 39.449 -4.005 4.841
350 HA PRO 43 HA PRO 43 35.279 2.582 6.517
351 HB2 PRO 43 HB3 PRO 43 37.420 1.116 8.040
352 HB3 PRO 43 HB2 PRO 43 36.099 2.135 8.654
353 HG2 PRO 43 HG3 PRO 43 35.930 -0.506 8.786
354 HG3 PRO 43 HG2 PRO 43 34.510 0.473 8.375
355 HD2 PRO 43 HD3 PRO 43 36.192 -1.239 6.592
356 HD3 PRO 43 HD2 PRO 43 34.456 -0.858 6.483
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -40.097 5.797 -3.925
2 H2 GLY 1 H2 GLY 1 -40.409 5.306 -5.521
3 H3 GLY 1 H3 GLY 1 -38.859 5.849 -5.083
4 HA2 GLY 1 HA2 GLY 1 -38.308 3.930 -4.000
5 HA3 GLY 1 HA1 GLY 1 -39.999 3.537 -3.678
6 H THR 2 H THR 2 -40.556 1.752 -4.747
7 HA THR 2 HA THR 2 -40.818 0.202 -6.418
8 HB THR 2 HB THR 2 -41.348 1.019 -8.537
9 HG1 THR 2 HG1 THR 2 -39.843 3.353 -8.270
10 HG21 THR 2 HG21 THR 2 -41.475 3.629 -7.033
11 HG22 THR 2 HG22 THR 2 -42.498 2.267 -6.576
12 HG23 THR 2 HG23 THR 2 -42.628 2.966 -8.189
13 H ASN 3 H ASN 3 -39.578 -1.316 -7.458
14 HA ASN 3 HA ASN 3 -36.733 -1.080 -7.210
15 HB2 ASN 3 HB3 ASN 3 -38.318 -3.190 -8.721
16 HB3 ASN 3 HB2 ASN 3 -36.639 -3.308 -8.194
17 HD21 ASN 3 HD21 ASN 3 -39.566 -2.119 -6.451
18 HD22 ASN 3 HD22 ASN 3 -39.385 -3.186 -5.144
19 H SER 4 H SER 4 -37.023 -2.614 -10.135
20 HA SER 4 HA SER 4 -36.182 -2.014 -12.218
21 HB2 SER 4 HB3 SER 4 -37.511 -0.381 -13.351
22 HB3 SER 4 HB2 SER 4 -38.584 -1.196 -12.219
23 HG SER 4 HG SER 4 -37.179 1.104 -11.424
24 H ARG 5 H ARG 5 -34.446 -1.341 -10.202
25 HA ARG 5 HA ARG 5 -33.640 1.309 -9.968
26 HB2 ARG 5 HB3 ARG 5 -31.990 -1.226 -9.953
27 HB3 ARG 5 HB2 ARG 5 -31.349 0.357 -9.517
28 HG2 ARG 5 HG3 ARG 5 -33.037 0.571 -7.737
29 HG3 ARG 5 HG2 ARG 5 -33.711 -0.999 -8.168
30 HD2 ARG 5 HD3 ARG 5 -31.460 -2.015 -7.713
31 HD3 ARG 5 HD2 ARG 5 -30.925 -0.448 -7.117
32 HE ARG 5 HE ARG 5 -32.598 -2.325 -5.724
33 HH11 ARG 5 HH11 ARG 5 -33.346 -1.688 -3.681
34 HH12 ARG 5 HH12 ARG 5 -33.279 -0.020 -3.219
35 HH21 ARG 5 HH21 ARG 5 -31.884 1.029 -6.216
36 HH22 ARG 5 HH22 ARG 5 -32.453 1.519 -4.656
37 H ARG 6 H ARG 6 -32.425 -1.085 -12.354
38 HA ARG 6 HA ARG 6 -31.171 -0.856 -14.245
39 HB2 ARG 6 HB3 ARG 6 -32.172 0.571 -15.952
40 HB3 ARG 6 HB2 ARG 6 -33.415 -0.288 -15.051
41 HG2 ARG 6 HG3 ARG 6 -33.959 1.692 -13.781
42 HG3 ARG 6 HG2 ARG 6 -32.579 2.565 -14.447
43 HD2 ARG 6 HD3 ARG 6 -34.578 3.256 -15.629
44 HD3 ARG 6 HD2 ARG 6 -33.585 2.294 -16.720
45 HE ARG 6 HE ARG 6 -35.201 0.596 -16.650
46 HH11 ARG 6 HH11 ARG 6 -37.302 -0.124 -16.186
47 HH12 ARG 6 HH12 ARG 6 -38.277 0.738 -15.043
48 HH21 ARG 6 HH21 ARG 6 -35.853 3.119 -14.369
49 HH22 ARG 6 HH22 ARG 6 -37.459 2.572 -14.018
50 H ASN 7 H ASN 7 -29.286 -0.032 -14.982
51 HA ASN 7 HA ASN 7 -27.381 1.286 -14.974
52 HB2 ASN 7 HB3 ASN 7 -28.861 2.755 -16.285
53 HB3 ASN 7 HB2 ASN 7 -29.446 3.497 -14.792
54 HD21 ASN 7 HD21 ASN 7 -28.290 5.371 -16.414
55 HD22 ASN 7 HD22 ASN 7 -26.708 5.733 -15.920
56 H ARG 8 H ARG 8 -26.779 0.441 -12.899
57 HA ARG 8 HA ARG 8 -27.573 1.563 -10.436
58 HB2 ARG 8 HB3 ARG 8 -26.174 -0.626 -10.946
59 HB3 ARG 8 HB2 ARG 8 -24.794 0.452 -10.784
60 HG2 ARG 8 HG3 ARG 8 -25.058 -0.305 -8.591
61 HG3 ARG 8 HG2 ARG 8 -25.977 1.197 -8.555
62 HD2 ARG 8 HD3 ARG 8 -28.069 -0.015 -8.833
63 HD3 ARG 8 HD2 ARG 8 -27.207 -1.527 -9.085
64 HE ARG 8 HE ARG 8 -26.932 -1.698 -6.783
65 HH11 ARG 8 HH11 ARG 8 -27.323 -1.014 -4.652
66 HH12 ARG 8 HH12 ARG 8 -27.863 0.605 -4.352
67 HH21 ARG 8 HH21 ARG 8 -27.879 1.504 -7.698
68 HH22 ARG 8 HH22 ARG 8 -28.176 2.030 -6.075
69 H LEU 9 H LEU 9 -24.732 2.268 -12.467
70 HA LEU 9 HA LEU 9 -24.738 5.022 -11.979
71 HB2 LEU 9 HB3 LEU 9 -23.910 3.846 -9.673
72 HB3 LEU 9 HB2 LEU 9 -22.370 3.928 -10.504
73 HG LEU 9 HG LEU 9 -22.664 5.914 -9.132
74 HD11 LEU 9 HD11 LEU 9 -21.481 6.240 -11.238
75 HD12 LEU 9 HD12 LEU 9 -22.425 7.675 -10.853
76 HD13 LEU 9 HD13 LEU 9 -23.001 6.550 -12.077
77 HD21 LEU 9 HD21 LEU 9 -24.541 7.251 -9.065
78 HD22 LEU 9 HD22 LEU 9 -25.314 5.721 -9.470
79 HD23 LEU 9 HD23 LEU 9 -24.997 6.912 -10.733
80 H LEU 10 H LEU 10 -24.404 3.235 -14.133
81 HA LEU 10 HA LEU 10 -22.854 2.470 -15.746
82 HB2 LEU 10 HB3 LEU 10 -22.027 4.489 -17.016
83 HB3 LEU 10 HB2 LEU 10 -23.765 4.372 -16.787
84 HG LEU 10 HG LEU 10 -22.264 5.879 -14.672
85 HD11 LEU 10 HD11 LEU 10 -22.243 7.943 -16.061
86 HD12 LEU 10 HD12 LEU 10 -22.697 6.979 -17.466
87 HD13 LEU 10 HD13 LEU 10 -21.143 6.712 -16.679
88 HD21 LEU 10 HD21 LEU 10 -24.245 7.219 -14.632
89 HD22 LEU 10 HD22 LEU 10 -24.797 5.557 -14.822
90 HD23 LEU 10 HD23 LEU 10 -24.758 6.635 -16.216
91 H GLN 11 H GLN 11 -21.067 1.401 -15.296
92 HA GLN 11 HA GLN 11 -18.837 0.990 -14.909
93 HB2 GLN 11 HB3 GLN 11 -17.579 2.380 -16.185
94 HB3 GLN 11 HB2 GLN 11 -18.941 3.486 -16.281
95 HG2 GLN 11 HG3 GLN 11 -18.172 4.595 -14.196
96 HG3 GLN 11 HG2 GLN 11 -16.798 3.491 -14.131
97 HE21 GLN 11 HE21 GLN 11 -16.999 6.547 -14.631
98 HE22 GLN 11 HE22 GLN 11 -16.078 6.772 -16.041
99 H SER 12 H SER 12 -17.741 0.652 -13.140
100 HA SER 12 HA SER 12 -17.070 0.702 -10.927
101 HB2 SER 12 HB3 SER 12 -16.458 2.755 -10.055
102 HB3 SER 12 HB2 SER 12 -16.584 3.172 -11.762
103 HG SER 12 HG SER 12 -17.792 4.662 -10.700
104 H ASP 13 H ASP 13 -20.193 1.296 -11.948
105 HA ASP 13 HA ASP 13 -22.261 1.362 -10.913
106 HB2 ASP 13 HB3 ASP 13 -22.526 -0.469 -9.228
107 HB3 ASP 13 HB2 ASP 13 -21.779 -0.991 -10.735
108 H TYR 14 H TYR 14 -23.208 1.109 -8.402
109 HA TYR 14 HA TYR 14 -22.519 3.599 -7.243
110 HB2 TYR 14 HB3 TYR 14 -24.804 2.683 -7.192
111 HB3 TYR 14 HB2 TYR 14 -24.242 1.347 -6.193
112 HD1 TYR 14 HD1 TYR 14 -25.066 4.921 -6.293
113 HD2 TYR 14 HD2 TYR 14 -23.585 1.705 -3.870
114 HE1 TYR 14 HE1 TYR 14 -25.406 6.301 -4.259
115 HE2 TYR 14 HE2 TYR 14 -23.924 3.082 -1.829
116 HH TYR 14 HH TYR 14 -24.589 6.442 -1.975
117 H MET 15 H MET 15 -20.846 0.816 -7.165
118 HA MET 15 HA MET 15 -19.781 -0.337 -5.315
119 HB2 MET 15 HB3 MET 15 -18.226 0.671 -6.930
120 HB3 MET 15 HB2 MET 15 -18.231 2.168 -6.002
121 HG2 MET 15 HG3 MET 15 -16.253 0.828 -5.438
122 HG3 MET 15 HG2 MET 15 -17.314 0.941 -4.045
123 HE1 MET 15 HE1 MET 15 -16.931 -0.951 -2.626
124 HE2 MET 15 HE2 MET 15 -17.735 -2.486 -2.945
125 HE3 MET 15 HE3 MET 15 -18.659 -0.987 -3.010
126 H ASN 16 H ASN 16 -21.325 -0.002 -3.630
127 HA ASN 16 HA ASN 16 -21.917 1.874 -1.888
128 HB2 ASN 16 HB3 ASN 16 -22.425 -0.528 -1.482
129 HB3 ASN 16 HB2 ASN 16 -20.778 -0.749 -0.888
130 HD21 ASN 16 HD21 ASN 16 -22.210 2.338 -0.175
131 HD22 ASN 16 HD22 ASN 16 -22.572 2.020 1.452
132 H MET 17 H MET 17 -21.138 2.985 -0.122
133 HA MET 17 HA MET 17 -19.604 4.032 1.266
134 HB2 MET 17 HB3 MET 17 -17.439 2.171 0.229
135 HB3 MET 17 HB2 MET 17 -17.404 3.160 1.672
136 HG2 MET 17 HG3 MET 17 -17.963 1.162 2.667
137 HG3 MET 17 HG2 MET 17 -19.595 1.669 2.253
138 HE1 MET 17 HE1 MET 17 -18.615 -1.464 2.740
139 HE2 MET 17 HE2 MET 17 -19.810 -2.089 1.606
140 HE3 MET 17 HE3 MET 17 -20.212 -0.713 2.629
141 H THR 18 H THR 18 -17.705 3.075 -1.595
142 HA THR 18 HA THR 18 -17.949 5.509 -2.930
143 HB THR 18 HB THR 18 -16.419 5.991 -0.747
144 HG1 THR 18 HG1 THR 18 -16.497 7.797 -1.754
145 HG21 THR 18 HG21 THR 18 -14.088 5.888 -1.197
146 HG22 THR 18 HG22 THR 18 -14.355 5.492 -2.895
147 HG23 THR 18 HG23 THR 18 -14.710 4.296 -1.648
148 HA PRO 19 HA PRO 19 -16.057 3.084 -6.135
149 HB2 PRO 19 HB3 PRO 19 -14.091 5.229 -6.815
150 HB3 PRO 19 HB2 PRO 19 -15.316 4.460 -7.843
151 HG2 PRO 19 HG3 PRO 19 -15.618 6.955 -6.941
152 HG3 PRO 19 HG2 PRO 19 -16.997 5.852 -7.107
153 HD2 PRO 19 HD3 PRO 19 -15.540 6.687 -4.615
154 HD3 PRO 19 HD2 PRO 19 -17.273 6.391 -4.873
155 H ARG 20 H ARG 20 -14.406 1.605 -6.356
156 HA ARG 20 HA ARG 20 -12.840 0.697 -4.436
157 HB2 ARG 20 HB3 ARG 20 -11.178 -0.133 -6.056
158 HB3 ARG 20 HB2 ARG 20 -12.826 -0.364 -6.630
159 HG2 ARG 20 HG3 ARG 20 -12.638 1.463 -8.182
160 HG3 ARG 20 HG2 ARG 20 -11.151 2.035 -7.434
161 HD2 ARG 20 HD3 ARG 20 -9.890 0.238 -8.299
162 HD3 ARG 20 HD2 ARG 20 -11.324 -0.729 -8.628
163 HE ARG 20 HE ARG 20 -11.419 0.293 -10.694
164 HH11 ARG 20 HH11 ARG 20 -10.885 1.869 -12.237
165 HH12 ARG 20 HH12 ARG 20 -9.970 3.262 -11.767
166 HH21 ARG 20 HH21 ARG 20 -9.710 2.307 -8.448
167 HH22 ARG 20 HH22 ARG 20 -9.309 3.512 -9.625
168 H ARG 21 H ARG 21 -10.809 0.945 -3.521
169 HA ARG 21 HA ARG 21 -9.898 3.655 -3.325
170 HB2 ARG 21 HB3 ARG 21 -7.980 2.363 -1.975
171 HB3 ARG 21 HB2 ARG 21 -9.585 2.596 -1.289
172 HG2 ARG 21 HG3 ARG 21 -8.762 0.250 -1.060
173 HG3 ARG 21 HG2 ARG 21 -10.260 0.356 -1.976
174 HD2 ARG 21 HD3 ARG 21 -9.189 -0.088 -4.017
175 HD3 ARG 21 HD2 ARG 21 -7.610 0.408 -3.410
176 HE ARG 21 HE ARG 21 -8.722 -2.221 -3.261
177 HH11 ARG 21 HH11 ARG 21 -7.511 -3.771 -2.127
178 HH12 ARG 21 HH12 ARG 21 -6.285 -3.261 -1.014
179 HH21 ARG 21 HH21 ARG 21 -6.814 0.119 -1.568
180 HH22 ARG 21 HH22 ARG 21 -5.890 -1.060 -0.698
181 HA PRO 22 HA PRO 22 -6.818 3.485 -6.500
182 HB2 PRO 22 HB3 PRO 22 -4.975 5.281 -5.630
183 HB3 PRO 22 HB2 PRO 22 -6.599 5.779 -6.149
184 HG2 PRO 22 HG3 PRO 22 -5.562 5.338 -3.376
185 HG3 PRO 22 HG2 PRO 22 -6.546 6.674 -4.004
186 HD2 PRO 22 HD3 PRO 22 -7.638 4.582 -2.627
187 HD3 PRO 22 HD2 PRO 22 -8.521 5.447 -3.907
188 H GLY 23 H GLY 23 -4.872 2.406 -7.029
189 HA2 GLY 23 HA2 GLY 23 -3.881 0.508 -5.167
190 HA3 GLY 23 HA1 GLY 23 -3.120 0.918 -6.706
191 H LEU 24 H LEU 24 -2.732 0.971 -3.407
192 HA LEU 24 HA LEU 24 -0.638 3.070 -3.570
193 HB2 LEU 24 HB3 LEU 24 -2.880 3.228 -1.958
194 HB3 LEU 24 HB2 LEU 24 -1.724 2.488 -0.861
195 HG LEU 24 HG LEU 24 -1.681 4.918 -0.638
196 HD11 LEU 24 HD11 LEU 24 0.447 3.522 -0.490
197 HD12 LEU 24 HD12 LEU 24 0.663 5.252 -0.747
198 HD13 LEU 24 HD13 LEU 24 0.846 4.132 -2.095
199 HD21 LEU 24 HD21 LEU 24 -0.533 5.386 -3.360
200 HD22 LEU 24 HD22 LEU 24 -1.554 6.418 -2.365
201 HD23 LEU 24 HD23 LEU 24 -2.275 5.097 -3.277
202 H THR 25 H THR 25 -1.255 -0.133 -3.318
203 HA THR 25 HA THR 25 1.028 -0.757 -1.554
204 HB THR 25 HB THR 25 0.246 -3.173 -2.046
205 HG1 THR 25 HG1 THR 25 -1.679 -1.610 -3.324
206 HG21 THR 25 HG21 THR 25 -1.903 -2.812 -0.582
207 HG22 THR 25 HG22 THR 25 -1.338 -1.150 -0.454
208 HG23 THR 25 HG23 THR 25 -0.322 -2.477 0.119
209 H ARG 26 H ARG 26 -0.135 -1.918 -4.716
210 HA ARG 26 HA ARG 26 2.235 -3.086 -5.574
211 HB2 ARG 26 HB3 ARG 26 0.217 -3.430 -6.866
212 HB3 ARG 26 HB2 ARG 26 0.103 -1.710 -7.245
213 HG2 ARG 26 HG3 ARG 26 2.698 -2.956 -8.013
214 HG3 ARG 26 HG2 ARG 26 1.304 -3.599 -8.876
215 HD2 ARG 26 HD3 ARG 26 1.901 -0.639 -8.632
216 HD3 ARG 26 HD2 ARG 26 2.386 -1.629 -10.003
217 HE ARG 26 HE ARG 26 -0.286 -2.097 -9.837
218 HH11 ARG 26 HH11 ARG 26 -1.857 -0.811 -10.862
219 HH12 ARG 26 HH12 ARG 26 -1.518 0.854 -11.202
220 HH21 ARG 26 HH21 ARG 26 1.670 0.758 -9.839
221 HH22 ARG 26 HH22 ARG 26 0.478 1.742 -10.622
222 H LYS 27 H LYS 27 4.172 -2.344 -6.033
223 HA LYS 27 HA LYS 27 5.136 0.182 -5.699
224 HB2 LYS 27 HB3 LYS 27 6.423 -1.984 -6.180
225 HB3 LYS 27 HB2 LYS 27 6.203 -1.598 -7.880
226 HG2 LYS 27 HG3 LYS 27 7.303 0.584 -6.131
227 HG3 LYS 27 HG2 LYS 27 8.363 -0.775 -6.462
228 HD2 LYS 27 HD3 LYS 27 6.946 0.852 -8.599
229 HD3 LYS 27 HD2 LYS 27 8.615 1.089 -8.104
230 HE2 LYS 27 HE3 LYS 27 8.659 -1.594 -8.628
231 HE3 LYS 27 HE2 LYS 27 7.444 -1.059 -9.790
232 HZ1 LYS 27 HZ1 LYS 27 9.317 0.831 -10.056
233 HZ2 LYS 27 HZ2 LYS 27 9.223 -0.564 -11.024
234 HZ3 LYS 27 HZ3 LYS 27 10.282 -0.517 -9.694
235 HA PRO 28 HA PRO 28 2.830 2.141 -9.208
236 HB2 PRO 28 HB3 PRO 28 4.225 4.569 -8.145
237 HB3 PRO 28 HB2 PRO 28 2.511 4.335 -8.545
238 HG2 PRO 28 HG3 PRO 28 3.310 4.411 -6.024
239 HG3 PRO 28 HG2 PRO 28 2.061 3.261 -6.544
240 HD2 PRO 28 HD3 PRO 28 4.970 2.752 -5.968
241 HD3 PRO 28 HD2 PRO 28 3.541 1.771 -5.564
242 H TYR 29 H TYR 29 4.973 0.762 -10.075
243 HA TYR 29 HA TYR 29 6.782 0.655 -11.509
244 HB2 TYR 29 HB3 TYR 29 6.445 2.009 -13.553
245 HB3 TYR 29 HB2 TYR 29 4.996 1.147 -13.041
246 HD1 TYR 29 HD1 TYR 29 6.654 4.460 -13.170
247 HD2 TYR 29 HD2 TYR 29 3.046 2.318 -12.255
248 HE1 TYR 29 HE1 TYR 29 5.405 6.602 -13.077
249 HE2 TYR 29 HE2 TYR 29 1.799 4.459 -12.160
250 HH TYR 29 HH TYR 29 3.064 7.311 -11.752
251 H GLN 30 H GLN 30 8.779 1.196 -11.651
252 HA GLN 30 HA GLN 30 10.476 2.894 -12.213
253 HB2 GLN 30 HB3 GLN 30 10.728 4.894 -10.908
254 HB3 GLN 30 HB2 GLN 30 9.097 4.855 -11.549
255 HG2 GLN 30 HG3 GLN 30 8.698 3.621 -9.126
256 HG3 GLN 30 HG2 GLN 30 10.050 4.671 -8.723
257 HE21 GLN 30 HE21 GLN 30 8.858 6.189 -7.452
258 HE22 GLN 30 HE22 GLN 30 7.661 7.194 -8.114
259 HA PRO 31 HA PRO 31 11.948 -0.052 -8.948
260 HB2 PRO 31 HB3 PRO 31 14.143 -0.286 -10.966
261 HB3 PRO 31 HB2 PRO 31 13.274 -1.564 -10.089
262 HG2 PRO 31 HG3 PRO 31 12.773 -1.101 -12.652
263 HG3 PRO 31 HG2 PRO 31 11.458 -1.496 -11.527
264 HD2 PRO 31 HD3 PRO 31 12.232 1.179 -12.660
265 HD3 PRO 31 HD2 PRO 31 10.612 0.505 -12.368
266 H TYR 32 H TYR 32 13.993 2.139 -10.852
267 HA TYR 32 HA TYR 32 16.049 3.118 -10.216
268 HB2 TYR 32 HB3 TYR 32 15.376 5.242 -9.738
269 HB3 TYR 32 HB2 TYR 32 13.749 4.580 -9.775
270 HD1 TYR 32 HD1 TYR 32 16.545 5.620 -7.591
271 HD2 TYR 32 HD2 TYR 32 12.471 4.267 -7.743
272 HE1 TYR 32 HE1 TYR 32 16.260 6.214 -5.201
273 HE2 TYR 32 HE2 TYR 32 12.185 4.867 -5.351
274 HH TYR 32 HH TYR 32 13.527 6.714 -3.745
275 H ALA 33 H ALA 33 17.496 1.828 -9.218
276 HA ALA 33 HA ALA 33 17.613 1.962 -6.288
277 HB1 ALA 33 HB1 ALA 33 17.738 -0.690 -7.718
278 HB2 ALA 33 HB2 ALA 33 16.293 -0.092 -6.900
279 HB3 ALA 33 HB3 ALA 33 17.766 -0.402 -5.980
280 HA PRO 34 HA PRO 34 21.714 2.315 -8.501
281 HB2 PRO 34 HB3 PRO 34 22.171 4.098 -6.140
282 HB3 PRO 34 HB2 PRO 34 22.569 4.372 -7.848
283 HG2 PRO 34 HG3 PRO 34 20.525 5.633 -6.680
284 HG3 PRO 34 HG2 PRO 34 20.436 5.093 -8.367
285 HD2 PRO 34 HD3 PRO 34 19.167 3.887 -5.931
286 HD3 PRO 34 HD2 PRO 34 18.541 3.992 -7.596
287 H ALA 35 H ALA 35 23.254 0.834 -8.018
288 HA ALA 35 HA ALA 35 23.273 -0.317 -5.284
289 HB1 ALA 35 HB1 ALA 35 22.802 -2.045 -6.841
290 HB2 ALA 35 HB2 ALA 35 24.488 -2.255 -6.379
291 HB3 ALA 35 HB3 ALA 35 24.087 -1.534 -7.936
292 H ARG 36 H ARG 36 25.917 -0.681 -7.584
293 HA ARG 36 HA ARG 36 28.191 -0.358 -7.206
294 HB2 ARG 36 HB3 ARG 36 27.361 1.856 -8.022
295 HB3 ARG 36 HB2 ARG 36 27.138 2.352 -6.352
296 HG2 ARG 36 HG3 ARG 36 29.258 3.232 -6.958
297 HG3 ARG 36 HG2 ARG 36 29.628 1.802 -6.006
298 HD2 ARG 36 HD3 ARG 36 30.952 2.089 -8.169
299 HD3 ARG 36 HD2 ARG 36 30.177 0.527 -7.947
300 HE ARG 36 HE ARG 36 28.808 1.010 -9.766
301 HH11 ARG 36 HH11 ARG 36 28.163 2.297 -11.519
302 HH12 ARG 36 HH12 ARG 36 28.634 3.963 -11.585
303 HH21 ARG 36 HH21 ARG 36 30.376 3.863 -8.589
304 HH22 ARG 36 HH22 ARG 36 29.886 4.849 -9.926
305 H ASP 37 H ASP 37 28.012 -1.906 -5.363
306 HA ASP 37 HA ASP 37 27.719 -1.089 -2.692
307 HB2 ASP 37 HB3 ASP 37 27.726 -3.472 -3.428
308 HB3 ASP 37 HB2 ASP 37 29.466 -3.345 -3.696
309 H PHE 38 H PHE 38 30.579 -1.435 -4.681
310 HA PHE 38 HA PHE 38 32.727 -0.672 -4.462
311 HB2 PHE 38 HB3 PHE 38 32.365 1.542 -4.826
312 HB3 PHE 38 HB2 PHE 38 30.868 1.500 -3.905
313 HD1 PHE 38 HD1 PHE 38 34.582 1.680 -3.513
314 HD2 PHE 38 HD2 PHE 38 30.745 2.530 -1.782
315 HE1 PHE 38 HE1 PHE 38 35.685 2.941 -1.685
316 HE2 PHE 38 HE2 PHE 38 31.847 3.792 0.046
317 HZ PHE 38 HZ PHE 38 34.319 3.996 0.095
318 H ALA 39 H ALA 39 34.088 -1.732 -3.213
319 HA ALA 39 HA ALA 39 35.230 -2.481 -1.358
320 HB1 ALA 39 HB1 ALA 39 35.471 0.034 -1.112
321 HB2 ALA 39 HB2 ALA 39 35.639 -0.900 0.377
322 HB3 ALA 39 HB3 ALA 39 34.137 -0.038 0.040
323 H ALA 40 H ALA 40 32.539 -3.445 -1.733
324 HA ALA 40 HA ALA 40 30.868 -4.577 -0.605
325 HB1 ALA 40 HB1 ALA 40 31.729 -6.147 0.863
326 HB2 ALA 40 HB2 ALA 40 32.720 -4.962 1.718
327 HB3 ALA 40 HB3 ALA 40 33.228 -5.567 0.144
328 H TYR 41 H TYR 41 29.767 -4.778 1.696
329 HA TYR 41 HA TYR 41 28.481 -3.681 3.295
330 HB2 TYR 41 HB3 TYR 41 30.654 -3.483 4.416
331 HB3 TYR 41 HB2 TYR 41 30.994 -2.004 3.522
332 HD1 TYR 41 HD1 TYR 41 28.345 -3.515 5.706
333 HD2 TYR 41 HD2 TYR 41 30.410 0.052 4.491
334 HE1 TYR 41 HE1 TYR 41 27.104 -2.213 7.413
335 HE2 TYR 41 HE2 TYR 41 29.167 1.352 6.197
336 HH TYR 41 HH TYR 41 27.430 1.306 7.633
337 H ARG 42 H ARG 42 27.915 -3.002 0.739
338 HA ARG 42 HA ARG 42 27.917 -0.590 -0.361
339 HB2 ARG 42 HB3 ARG 42 25.657 -0.849 -1.128
340 HB3 ARG 42 HB2 ARG 42 26.325 -2.469 -0.986
341 HG2 ARG 42 HG3 ARG 42 25.307 -2.339 1.469
342 HG3 ARG 42 HG2 ARG 42 24.296 -1.085 0.755
343 HD2 ARG 42 HD3 ARG 42 24.424 -4.013 0.093
344 HD3 ARG 42 HD2 ARG 42 23.012 -3.004 0.392
345 HE ARG 42 HE ARG 42 24.245 -3.459 -2.134
346 HH11 ARG 42 HH11 ARG 42 23.489 -2.252 -3.897
347 HH12 ARG 42 HH12 ARG 42 22.587 -0.798 -3.624
348 HH21 ARG 42 HH21 ARG 42 22.743 -1.040 -0.168
349 HH22 ARG 42 HH22 ARG 42 22.166 -0.112 -1.512
350 HA PRO 43 HA PRO 43 26.991 2.822 2.336
351 HB2 PRO 43 HB3 PRO 43 24.705 3.347 0.448
352 HB3 PRO 43 HB2 PRO 43 25.868 4.492 1.148
353 HG2 PRO 43 HG3 PRO 43 26.123 3.584 -1.360
354 HG3 PRO 43 HG2 PRO 43 27.530 3.926 -0.339
355 HD2 PRO 43 HD3 PRO 43 26.489 1.305 -1.244
356 HD3 PRO 43 HD2 PRO 43 28.104 1.722 -0.625
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -39.914 4.908 1.148
2 H2 GLY 1 H2 GLY 1 -39.971 4.283 -0.431
3 H3 GLY 1 H3 GLY 1 -38.475 4.612 0.302
4 HA2 GLY 1 HA2 GLY 1 -38.555 2.786 1.668
5 HA3 GLY 1 HA1 GLY 1 -40.314 2.694 1.562
6 H THR 2 H THR 2 -40.651 0.704 0.709
7 HA THR 2 HA THR 2 -40.720 -1.007 -0.823
8 HB THR 2 HB THR 2 -40.971 -0.391 -3.045
9 HG1 THR 2 HG1 THR 2 -39.283 1.830 -2.864
10 HG21 THR 2 HG21 THR 2 -41.029 2.424 -1.985
11 HG22 THR 2 HG22 THR 2 -42.181 1.237 -1.372
12 HG23 THR 2 HG23 THR 2 -42.146 1.629 -3.090
13 H ASN 3 H ASN 3 -39.370 -2.667 -1.489
14 HA ASN 3 HA ASN 3 -36.483 -2.151 -1.231
15 HB2 ASN 3 HB3 ASN 3 -37.770 -4.847 -1.706
16 HB3 ASN 3 HB2 ASN 3 -36.219 -4.486 -0.947
17 HD21 ASN 3 HD21 ASN 3 -36.244 -3.752 1.335
18 HD22 ASN 3 HD22 ASN 3 -37.659 -3.853 2.264
19 H SER 4 H SER 4 -35.920 -4.503 -3.038
20 HA SER 4 HA SER 4 -35.347 -4.787 -5.266
21 HB2 SER 4 HB3 SER 4 -37.046 -4.479 -6.851
22 HB3 SER 4 HB2 SER 4 -37.953 -4.675 -5.357
23 HG SER 4 HG SER 4 -37.282 -2.110 -5.634
24 H ARG 5 H ARG 5 -33.599 -3.333 -4.490
25 HA ARG 5 HA ARG 5 -33.509 -0.585 -4.834
26 HB2 ARG 5 HB3 ARG 5 -31.289 -2.606 -5.215
27 HB3 ARG 5 HB2 ARG 5 -31.044 -0.868 -5.064
28 HG2 ARG 5 HG3 ARG 5 -32.114 -0.902 -2.838
29 HG3 ARG 5 HG2 ARG 5 -32.356 -2.640 -2.976
30 HD2 ARG 5 HD3 ARG 5 -29.874 -2.899 -3.253
31 HD3 ARG 5 HD2 ARG 5 -29.710 -1.180 -2.902
32 HE ARG 5 HE ARG 5 -30.356 -3.289 -1.003
33 HH11 ARG 5 HH11 ARG 5 -30.408 -2.627 1.168
34 HH12 ARG 5 HH12 ARG 5 -30.439 -0.939 1.554
35 HH21 ARG 5 HH21 ARG 5 -30.378 0.088 -1.759
36 HH22 ARG 5 HH22 ARG 5 -30.421 0.600 -0.106
37 H ARG 6 H ARG 6 -32.652 -3.085 -7.249
38 HA ARG 6 HA ARG 6 -32.201 -2.975 -9.482
39 HB2 ARG 6 HB3 ARG 6 -34.038 -2.099 -10.819
40 HB3 ARG 6 HB2 ARG 6 -34.653 -2.968 -9.421
41 HG2 ARG 6 HG3 ARG 6 -35.136 -0.901 -8.267
42 HG3 ARG 6 HG2 ARG 6 -34.340 0.046 -9.523
43 HD2 ARG 6 HD3 ARG 6 -36.720 0.145 -9.909
44 HD3 ARG 6 HD2 ARG 6 -36.012 -0.875 -11.155
45 HE ARG 6 HE ARG 6 -37.051 -2.744 -10.185
46 HH11 ARG 6 HH11 ARG 6 -38.621 -3.652 -8.828
47 HH12 ARG 6 HH12 ARG 6 -39.305 -2.708 -7.545
48 HH21 ARG 6 HH21 ARG 6 -37.424 0.117 -8.265
49 HH22 ARG 6 HH22 ARG 6 -38.627 -0.571 -7.228
50 H ASN 7 H ASN 7 -30.978 -1.978 -10.992
51 HA ASN 7 HA ASN 7 -29.585 -0.363 -11.886
52 HB2 ASN 7 HB3 ASN 7 -31.893 0.573 -12.417
53 HB3 ASN 7 HB2 ASN 7 -31.699 1.602 -10.995
54 HD21 ASN 7 HD21 ASN 7 -31.699 3.515 -12.599
55 HD22 ASN 7 HD22 ASN 7 -30.261 3.859 -13.428
56 H ARG 8 H ARG 8 -28.804 -1.139 -9.452
57 HA ARG 8 HA ARG 8 -28.589 0.359 -7.252
58 HB2 ARG 8 HB3 ARG 8 -27.147 -1.716 -7.955
59 HB3 ARG 8 HB2 ARG 8 -25.980 -0.515 -8.484
60 HG2 ARG 8 HG3 ARG 8 -25.329 -0.960 -6.263
61 HG3 ARG 8 HG2 ARG 8 -26.268 0.524 -6.126
62 HD2 ARG 8 HD3 ARG 8 -28.132 -0.593 -5.207
63 HD3 ARG 8 HD2 ARG 8 -27.604 -2.165 -5.794
64 HE ARG 8 HE ARG 8 -26.209 -2.355 -3.936
65 HH11 ARG 8 HH11 ARG 8 -25.581 -1.706 -1.853
66 HH12 ARG 8 HH12 ARG 8 -25.915 -0.094 -1.315
67 HH21 ARG 8 HH21 ARG 8 -27.460 0.856 -4.270
68 HH22 ARG 8 HH22 ARG 8 -26.977 1.357 -2.684
69 H LEU 9 H LEU 9 -26.301 0.960 -9.945
70 HA LEU 9 HA LEU 9 -26.662 3.787 -9.782
71 HB2 LEU 9 HB3 LEU 9 -25.043 2.872 -7.804
72 HB3 LEU 9 HB2 LEU 9 -23.845 3.083 -9.072
73 HG LEU 9 HG LEU 9 -23.965 5.108 -7.742
74 HD11 LEU 9 HD11 LEU 9 -23.575 5.431 -10.130
75 HD12 LEU 9 HD12 LEU 9 -24.519 6.770 -9.480
76 HD13 LEU 9 HD13 LEU 9 -25.312 5.516 -10.428
77 HD21 LEU 9 HD21 LEU 9 -25.890 6.225 -7.126
78 HD22 LEU 9 HD22 LEU 9 -26.514 4.583 -7.178
79 HD23 LEU 9 HD23 LEU 9 -26.808 5.681 -8.527
80 H LEU 10 H LEU 10 -26.536 1.478 -11.671
81 HA LEU 10 HA LEU 10 -25.378 0.758 -13.599
82 HB2 LEU 10 HB3 LEU 10 -25.620 2.555 -15.361
83 HB3 LEU 10 HB2 LEU 10 -27.094 2.075 -14.528
84 HG LEU 10 HG LEU 10 -25.569 4.377 -13.345
85 HD11 LEU 10 HD11 LEU 10 -25.449 5.009 -15.671
86 HD12 LEU 10 HD12 LEU 10 -26.753 5.941 -14.936
87 HD13 LEU 10 HD13 LEU 10 -27.128 4.540 -15.937
88 HD21 LEU 10 HD21 LEU 10 -27.732 3.457 -12.422
89 HD22 LEU 10 HD22 LEU 10 -28.524 3.989 -13.902
90 HD23 LEU 10 HD23 LEU 10 -27.793 5.173 -12.818
91 H GLN 11 H GLN 11 -23.289 0.292 -13.744
92 HA GLN 11 HA GLN 11 -21.016 0.589 -14.063
93 HB2 GLN 11 HB3 GLN 11 -20.706 1.966 -15.851
94 HB3 GLN 11 HB2 GLN 11 -22.315 2.620 -15.598
95 HG2 GLN 11 HG3 GLN 11 -21.376 4.304 -14.031
96 HG3 GLN 11 HG2 GLN 11 -19.764 3.651 -14.313
97 HE21 GLN 11 HE21 GLN 11 -21.191 6.343 -15.051
98 HE22 GLN 11 HE22 GLN 11 -20.797 6.542 -16.691
99 H SER 12 H SER 12 -19.393 1.016 -12.724
100 HA SER 12 HA SER 12 -18.206 1.863 -10.914
101 HB2 SER 12 HB3 SER 12 -18.346 4.128 -10.458
102 HB3 SER 12 HB2 SER 12 -19.073 4.088 -12.061
103 HG SER 12 HG SER 12 -20.393 5.243 -10.653
104 H ASP 13 H ASP 13 -18.742 0.248 -9.421
105 HA ASP 13 HA ASP 13 -21.308 0.079 -8.198
106 HB2 ASP 13 HB3 ASP 13 -20.277 -1.607 -6.741
107 HB3 ASP 13 HB2 ASP 13 -19.873 -1.891 -8.431
108 H TYR 14 H TYR 14 -22.019 0.709 -6.228
109 HA TYR 14 HA TYR 14 -21.159 3.081 -5.133
110 HB2 TYR 14 HB3 TYR 14 -23.386 1.918 -4.842
111 HB3 TYR 14 HB2 TYR 14 -22.602 0.887 -3.650
112 HD1 TYR 14 HD1 TYR 14 -23.958 4.186 -4.359
113 HD2 TYR 14 HD2 TYR 14 -21.697 1.865 -1.544
114 HE1 TYR 14 HE1 TYR 14 -24.324 5.929 -2.626
115 HE2 TYR 14 HE2 TYR 14 -22.055 3.600 0.187
116 HH TYR 14 HH TYR 14 -23.122 6.685 -0.491
117 H MET 15 H MET 15 -19.647 0.127 -4.910
118 HA MET 15 HA MET 15 -18.436 -0.849 -3.074
119 HB2 MET 15 HB3 MET 15 -17.005 -0.238 -4.968
120 HB3 MET 15 HB2 MET 15 -16.800 1.380 -4.311
121 HG2 MET 15 HG3 MET 15 -14.878 -0.199 -3.848
122 HG3 MET 15 HG2 MET 15 -15.566 0.540 -2.413
123 HE1 MET 15 HE1 MET 15 -15.142 -0.830 -0.553
124 HE2 MET 15 HE2 MET 15 -16.070 -2.280 -0.182
125 HE3 MET 15 HE3 MET 15 -16.910 -0.774 -0.534
126 H ASN 16 H ASN 16 -19.807 -0.058 -1.330
127 HA ASN 16 HA ASN 16 -20.077 1.974 0.214
128 HB2 ASN 16 HB3 ASN 16 -20.571 -0.203 1.144
129 HB3 ASN 16 HB2 ASN 16 -18.853 -0.573 1.302
130 HD21 ASN 16 HD21 ASN 16 -20.208 2.624 2.040
131 HD22 ASN 16 HD22 ASN 16 -19.927 2.541 3.711
132 H MET 17 H MET 17 -19.102 3.587 1.185
133 HA MET 17 HA MET 17 -17.401 4.708 2.406
134 HB2 MET 17 HB3 MET 17 -15.328 2.975 1.035
135 HB3 MET 17 HB2 MET 17 -15.093 4.079 2.372
136 HG2 MET 17 HG3 MET 17 -15.684 2.520 3.925
137 HG3 MET 17 HG2 MET 17 -17.096 2.007 3.021
138 HE1 MET 17 HE1 MET 17 -16.913 -0.226 3.741
139 HE2 MET 17 HE2 MET 17 -15.371 -0.267 4.591
140 HE3 MET 17 HE3 MET 17 -15.691 -1.427 3.307
141 H THR 18 H THR 18 -16.906 3.619 -0.900
142 HA THR 18 HA THR 18 -17.210 6.106 -2.083
143 HB THR 18 HB THR 18 -14.614 5.785 -0.879
144 HG1 THR 18 HG1 THR 18 -14.799 7.858 -0.975
145 HG21 THR 18 HG21 THR 18 -13.206 6.450 -2.814
146 HG22 THR 18 HG22 THR 18 -14.563 6.152 -3.895
147 HG23 THR 18 HG23 THR 18 -13.841 4.818 -2.995
148 HA PRO 19 HA PRO 19 -17.494 3.273 -5.544
149 HB2 PRO 19 HB3 PRO 19 -16.241 5.379 -7.261
150 HB3 PRO 19 HB2 PRO 19 -17.776 4.520 -7.479
151 HG2 PRO 19 HG3 PRO 19 -17.660 7.084 -6.666
152 HG3 PRO 19 HG2 PRO 19 -18.933 5.972 -6.133
153 HD2 PRO 19 HD3 PRO 19 -16.600 7.028 -4.603
154 HD3 PRO 19 HD2 PRO 19 -18.195 6.491 -4.031
155 H ARG 20 H ARG 20 -16.087 1.915 -6.829
156 HA ARG 20 HA ARG 20 -13.749 1.085 -5.839
157 HB2 ARG 20 HB3 ARG 20 -13.393 -0.078 -7.808
158 HB3 ARG 20 HB2 ARG 20 -15.080 0.376 -8.022
159 HG2 ARG 20 HG3 ARG 20 -14.237 2.442 -9.268
160 HG3 ARG 20 HG2 ARG 20 -12.640 1.698 -9.246
161 HD2 ARG 20 HD3 ARG 20 -14.001 -0.394 -10.215
162 HD3 ARG 20 HD2 ARG 20 -15.081 0.885 -10.767
163 HE ARG 20 HE ARG 20 -12.555 0.239 -11.883
164 HH11 ARG 20 HH11 ARG 20 -11.637 1.655 -13.395
165 HH12 ARG 20 HH12 ARG 20 -12.200 3.290 -13.502
166 HH21 ARG 20 HH21 ARG 20 -14.552 2.927 -10.980
167 HH22 ARG 20 HH22 ARG 20 -13.851 4.007 -12.137
168 H ARG 21 H ARG 21 -11.507 1.406 -6.238
169 HA ARG 21 HA ARG 21 -10.841 4.227 -6.569
170 HB2 ARG 21 HB3 ARG 21 -8.450 2.870 -6.014
171 HB3 ARG 21 HB2 ARG 21 -9.472 3.683 -4.835
172 HG2 ARG 21 HG3 ARG 21 -9.081 1.438 -4.056
173 HG3 ARG 21 HG2 ARG 21 -10.761 1.524 -4.569
174 HD2 ARG 21 HD3 ARG 21 -9.934 0.652 -6.842
175 HD3 ARG 21 HD2 ARG 21 -8.423 0.280 -6.027
176 HE ARG 21 HE ARG 21 -10.840 -1.225 -5.865
177 HH11 ARG 21 HH11 ARG 21 -10.890 -2.950 -4.386
178 HH12 ARG 21 HH12 ARG 21 -9.725 -3.020 -3.107
179 HH21 ARG 21 HH21 ARG 21 -8.129 -0.088 -4.046
180 HH22 ARG 21 HH22 ARG 21 -8.163 -1.398 -2.914
181 HA PRO 22 HA PRO 22 -9.246 3.646 -10.677
182 HB2 PRO 22 HB3 PRO 22 -7.486 5.698 -10.882
183 HB3 PRO 22 HB2 PRO 22 -9.235 5.980 -10.741
184 HG2 PRO 22 HG3 PRO 22 -7.130 6.090 -8.614
185 HG3 PRO 22 HG2 PRO 22 -8.438 7.238 -8.958
186 HD2 PRO 22 HD3 PRO 22 -8.638 5.353 -6.990
187 HD3 PRO 22 HD2 PRO 22 -10.049 5.934 -7.906
188 H GLY 23 H GLY 23 -7.397 2.877 -11.867
189 HA2 GLY 23 HA2 GLY 23 -5.626 1.203 -10.415
190 HA3 GLY 23 HA1 GLY 23 -5.464 1.618 -12.120
191 H LEU 24 H LEU 24 -4.214 2.093 -8.982
192 HA LEU 24 HA LEU 24 -2.109 3.827 -10.021
193 HB2 LEU 24 HB3 LEU 24 -4.066 5.276 -9.156
194 HB3 LEU 24 HB2 LEU 24 -3.609 4.704 -7.553
195 HG LEU 24 HG LEU 24 -1.176 5.485 -8.311
196 HD11 LEU 24 HD11 LEU 24 -1.222 7.437 -9.777
197 HD12 LEU 24 HD12 LEU 24 -2.971 7.299 -9.957
198 HD13 LEU 24 HD13 LEU 24 -1.915 6.064 -10.637
199 HD21 LEU 24 HD21 LEU 24 -2.307 6.459 -6.406
200 HD22 LEU 24 HD22 LEU 24 -3.427 7.329 -7.456
201 HD23 LEU 24 HD23 LEU 24 -1.723 7.784 -7.415
202 H THR 25 H THR 25 -2.123 1.139 -9.125
203 HA THR 25 HA THR 25 -0.823 1.226 -6.467
204 HB THR 25 HB THR 25 -0.906 -1.351 -6.808
205 HG1 THR 25 HG1 THR 25 -2.256 -0.345 -9.011
206 HG21 THR 25 HG21 THR 25 -3.302 0.434 -6.356
207 HG22 THR 25 HG22 THR 25 -2.416 -0.557 -5.193
208 HG23 THR 25 HG23 THR 25 -3.483 -1.318 -6.367
209 H ARG 26 H ARG 26 -0.256 -0.477 -9.528
210 HA ARG 26 HA ARG 26 2.045 -1.555 -9.663
211 HB2 ARG 26 HB3 ARG 26 2.730 -0.209 -11.729
212 HB3 ARG 26 HB2 ARG 26 1.139 -0.965 -11.764
213 HG2 ARG 26 HG3 ARG 26 0.145 1.204 -10.988
214 HG3 ARG 26 HG2 ARG 26 1.746 1.934 -11.106
215 HD2 ARG 26 HD3 ARG 26 0.279 0.606 -13.400
216 HD3 ARG 26 HD2 ARG 26 0.353 2.344 -13.131
217 HE ARG 26 HE ARG 26 2.497 0.646 -14.123
218 HH11 ARG 26 HH11 ARG 26 4.355 1.751 -14.799
219 HH12 ARG 26 HH12 ARG 26 4.555 3.426 -14.403
220 HH21 ARG 26 HH21 ARG 26 1.546 3.650 -12.693
221 HH22 ARG 26 HH22 ARG 26 2.963 4.502 -13.210
222 H LYS 27 H LYS 27 3.982 -1.444 -8.827
223 HA LYS 27 HA LYS 27 5.037 0.365 -7.155
224 HB2 LYS 27 HB3 LYS 27 7.066 -0.772 -7.348
225 HB3 LYS 27 HB2 LYS 27 5.958 -1.939 -8.032
226 HG2 LYS 27 HG3 LYS 27 6.508 -1.037 -10.312
227 HG3 LYS 27 HG2 LYS 27 7.729 -0.017 -9.551
228 HD2 LYS 27 HD3 LYS 27 8.546 -2.293 -8.474
229 HD3 LYS 27 HD2 LYS 27 7.667 -3.015 -9.819
230 HE2 LYS 27 HE3 LYS 27 9.694 -0.820 -10.244
231 HE3 LYS 27 HE2 LYS 27 10.161 -2.514 -10.177
232 HZ1 LYS 27 HZ1 LYS 27 9.603 -1.501 -12.444
233 HZ2 LYS 27 HZ2 LYS 27 7.980 -1.623 -11.952
234 HZ3 LYS 27 HZ3 LYS 27 8.946 -3.018 -12.064
235 HA PRO 28 HA PRO 28 5.980 4.097 -9.332
236 HB2 PRO 28 HB3 PRO 28 8.266 4.965 -8.052
237 HB3 PRO 28 HB2 PRO 28 6.639 5.076 -7.352
238 HG2 PRO 28 HG3 PRO 28 8.774 3.046 -6.861
239 HG3 PRO 28 HG2 PRO 28 7.675 3.829 -5.709
240 HD2 PRO 28 HD3 PRO 28 7.248 1.310 -6.620
241 HD3 PRO 28 HD2 PRO 28 5.908 2.397 -6.214
242 H TYR 29 H TYR 29 7.202 1.507 -10.322
243 HA TYR 29 HA TYR 29 8.863 0.749 -11.757
244 HB2 TYR 29 HB3 TYR 29 8.991 2.104 -13.795
245 HB3 TYR 29 HB2 TYR 29 7.335 1.966 -13.217
246 HD1 TYR 29 HD1 TYR 29 10.119 4.224 -13.880
247 HD2 TYR 29 HD2 TYR 29 6.244 3.897 -12.056
248 HE1 TYR 29 HE1 TYR 29 9.925 6.693 -13.851
249 HE2 TYR 29 HE2 TYR 29 6.053 6.372 -12.020
250 HH TYR 29 HH TYR 29 8.012 8.386 -13.817
251 H GLN 30 H GLN 30 10.769 0.469 -10.873
252 HA GLN 30 HA GLN 30 13.102 0.815 -11.083
253 HB2 GLN 30 HB3 GLN 30 14.146 2.847 -11.423
254 HB3 GLN 30 HB2 GLN 30 12.619 3.075 -12.252
255 HG2 GLN 30 HG3 GLN 30 11.878 4.094 -9.886
256 HG3 GLN 30 HG2 GLN 30 13.614 4.295 -9.692
257 HE21 GLN 30 HE21 GLN 30 12.288 6.646 -9.782
258 HE22 GLN 30 HE22 GLN 30 12.479 7.403 -11.286
259 HA PRO 31 HA PRO 31 12.314 0.645 -6.537
260 HB2 PRO 31 HB3 PRO 31 14.262 -1.595 -6.744
261 HB3 PRO 31 HB2 PRO 31 12.664 -1.560 -5.976
262 HG2 PRO 31 HG3 PRO 31 13.098 -2.850 -8.283
263 HG3 PRO 31 HG2 PRO 31 11.564 -2.023 -7.948
264 HD2 PRO 31 HD3 PRO 31 13.840 -1.137 -9.694
265 HD3 PRO 31 HD2 PRO 31 12.088 -0.948 -9.937
266 H TYR 32 H TYR 32 15.534 -0.339 -7.657
267 HA TYR 32 HA TYR 32 17.633 0.144 -6.808
268 HB2 TYR 32 HB3 TYR 32 18.396 2.227 -7.486
269 HB3 TYR 32 HB2 TYR 32 16.940 2.055 -8.458
270 HD1 TYR 32 HD1 TYR 32 14.963 3.404 -8.010
271 HD2 TYR 32 HD2 TYR 32 18.477 3.757 -5.571
272 HE1 TYR 32 HE1 TYR 32 14.080 5.512 -7.046
273 HE2 TYR 32 HE2 TYR 32 17.592 5.859 -4.599
274 HH TYR 32 HH TYR 32 15.748 7.726 -5.642
275 H ALA 33 H ALA 33 18.060 -0.397 -4.783
276 HA ALA 33 HA ALA 33 17.349 1.504 -2.633
277 HB1 ALA 33 HB1 ALA 33 16.782 -0.308 -1.157
278 HB2 ALA 33 HB2 ALA 33 17.227 -1.499 -2.379
279 HB3 ALA 33 HB3 ALA 33 15.822 -0.464 -2.629
280 HA PRO 34 HA PRO 34 21.819 0.579 -2.284
281 HB2 PRO 34 HB3 PRO 34 22.615 2.843 -1.009
282 HB3 PRO 34 HB2 PRO 34 22.264 2.811 -2.749
283 HG2 PRO 34 HG3 PRO 34 20.587 3.819 -0.500
284 HG3 PRO 34 HG2 PRO 34 20.801 4.478 -2.132
285 HD2 PRO 34 HD3 PRO 34 18.625 2.939 -1.330
286 HD3 PRO 34 HD2 PRO 34 19.147 3.133 -3.021
287 H ALA 35 H ALA 35 22.153 -0.986 -0.827
288 HA ALA 35 HA ALA 35 21.301 -0.610 1.974
289 HB1 ALA 35 HB1 ALA 35 20.797 -2.772 0.686
290 HB2 ALA 35 HB2 ALA 35 21.529 -2.943 2.277
291 HB3 ALA 35 HB3 ALA 35 22.519 -3.134 0.834
292 H ARG 36 H ARG 36 24.210 -1.884 0.313
293 HA ARG 36 HA ARG 36 26.425 -1.889 1.011
294 HB2 ARG 36 HB3 ARG 36 26.050 0.497 0.330
295 HB3 ARG 36 HB2 ARG 36 25.651 0.867 2.003
296 HG2 ARG 36 HG3 ARG 36 27.987 1.429 1.588
297 HG3 ARG 36 HG2 ARG 36 27.897 0.072 2.704
298 HD2 ARG 36 HD3 ARG 36 29.559 -0.000 0.642
299 HD3 ARG 36 HD2 ARG 36 28.698 -1.452 1.141
300 HE ARG 36 HE ARG 36 27.459 -1.340 -0.829
301 HH11 ARG 36 HH11 ARG 36 27.056 -0.494 -2.895
302 HH12 ARG 36 HH12 ARG 36 27.658 1.075 -3.319
303 HH21 ARG 36 HH21 ARG 36 29.156 1.617 -0.236
304 HH22 ARG 36 HH22 ARG 36 28.846 2.271 -1.809
305 H ASP 37 H ASP 37 25.620 -3.527 2.637
306 HA ASP 37 HA ASP 37 25.409 -4.344 4.808
307 HB2 ASP 37 HB3 ASP 37 27.341 -3.800 6.218
308 HB3 ASP 37 HB2 ASP 37 27.839 -4.113 4.559
309 H PHE 38 H PHE 38 23.398 -3.539 5.509
310 HA PHE 38 HA PHE 38 23.553 -1.533 7.598
311 HB2 PHE 38 HB3 PHE 38 23.034 -0.579 5.089
312 HB3 PHE 38 HB2 PHE 38 21.398 -0.907 5.632
313 HD1 PHE 38 HD1 PHE 38 24.229 1.318 5.837
314 HD2 PHE 38 HD2 PHE 38 20.637 0.115 7.869
315 HE1 PHE 38 HE1 PHE 38 24.266 3.418 7.152
316 HE2 PHE 38 HE2 PHE 38 20.681 2.212 9.186
317 HZ PHE 38 HZ PHE 38 22.495 3.865 8.828
318 H ALA 39 H ALA 39 22.497 -4.376 6.475
319 HA ALA 39 HA ALA 39 19.773 -4.365 7.448
320 HB1 ALA 39 HB1 ALA 39 21.454 -6.821 6.920
321 HB2 ALA 39 HB2 ALA 39 20.622 -5.928 5.643
322 HB3 ALA 39 HB3 ALA 39 19.698 -6.689 6.933
323 H ALA 40 H ALA 40 22.820 -4.627 8.994
324 HA ALA 40 HA ALA 40 21.485 -5.216 11.506
325 HB1 ALA 40 HB1 ALA 40 23.821 -6.966 10.708
326 HB2 ALA 40 HB2 ALA 40 22.147 -7.436 10.434
327 HB3 ALA 40 HB3 ALA 40 22.720 -7.161 12.076
328 H TYR 41 H TYR 41 24.627 -4.685 9.912
329 HA TYR 41 HA TYR 41 26.536 -3.519 10.656
330 HB2 TYR 41 HB3 TYR 41 25.339 -1.719 9.764
331 HB3 TYR 41 HB2 TYR 41 24.120 -1.768 11.031
332 HD1 TYR 41 HD1 TYR 41 27.725 -0.978 10.396
333 HD2 TYR 41 HD2 TYR 41 24.315 -0.417 12.950
334 HE1 TYR 41 HE1 TYR 41 28.960 0.756 11.672
335 HE2 TYR 41 HE2 TYR 41 25.549 1.313 14.222
336 HH TYR 41 HH TYR 41 27.372 2.685 14.157
337 H ARG 42 H ARG 42 24.799 -5.008 12.960
338 HA ARG 42 HA ARG 42 24.986 -5.266 15.250
339 HB2 ARG 42 HB3 ARG 42 27.731 -4.072 15.327
340 HB3 ARG 42 HB2 ARG 42 27.151 -5.602 15.977
341 HG2 ARG 42 HG3 ARG 42 27.043 -6.446 13.581
342 HG3 ARG 42 HG2 ARG 42 27.945 -4.997 13.124
343 HD2 ARG 42 HD3 ARG 42 29.545 -5.742 15.098
344 HD3 ARG 42 HD2 ARG 42 28.816 -7.318 14.820
345 HE ARG 42 HE ARG 42 29.898 -7.422 12.741
346 HH11 ARG 42 HH11 ARG 42 31.607 -6.756 11.395
347 HH12 ARG 42 HH12 ARG 42 32.295 -5.180 11.595
348 HH21 ARG 42 HH21 ARG 42 30.217 -4.309 14.227
349 HH22 ARG 42 HH22 ARG 42 31.509 -3.796 13.194
350 HA PRO 43 HA PRO 43 24.216 -1.538 17.518
351 HB2 PRO 43 HB3 PRO 43 26.671 -1.754 19.221
352 HB3 PRO 43 HB2 PRO 43 24.968 -1.635 19.710
353 HG2 PRO 43 HG3 PRO 43 26.245 -3.940 19.888
354 HG3 PRO 43 HG2 PRO 43 24.568 -3.889 19.310
355 HD2 PRO 43 HD3 PRO 43 27.099 -4.168 17.715
356 HD3 PRO 43 HD2 PRO 43 25.554 -5.037 17.529
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -37.506 4.201 -1.398
2 H2 GLY 1 H2 GLY 1 -38.656 4.306 -2.646
3 H3 GLY 1 H3 GLY 1 -37.350 5.393 -2.595
4 HA2 GLY 1 HA2 GLY 1 -36.781 3.842 -4.249
5 HA3 GLY 1 HA1 GLY 1 -35.840 3.407 -2.821
6 H THR 2 H THR 2 -35.685 1.214 -3.091
7 HA THR 2 HA THR 2 -36.318 -0.999 -3.088
8 HB THR 2 HB THR 2 -38.013 -1.578 -1.595
9 HG1 THR 2 HG1 THR 2 -39.412 0.821 -1.938
10 HG21 THR 2 HG21 THR 2 -36.374 0.277 -0.722
11 HG22 THR 2 HG22 THR 2 -37.789 -0.139 0.242
12 HG23 THR 2 HG23 THR 2 -37.805 1.307 -0.764
13 H ASN 3 H ASN 3 -37.695 -2.583 -4.178
14 HA ASN 3 HA ASN 3 -38.697 -3.331 -6.092
15 HB2 ASN 3 HB3 ASN 3 -40.953 -2.507 -6.506
16 HB3 ASN 3 HB2 ASN 3 -40.682 -2.716 -4.781
17 HD21 ASN 3 HD21 ASN 3 -40.531 -0.133 -7.306
18 HD22 ASN 3 HD22 ASN 3 -41.023 1.106 -6.256
19 H SER 4 H SER 4 -38.044 -3.185 -8.118
20 HA SER 4 HA SER 4 -37.385 -2.292 -10.153
21 HB2 SER 4 HB3 SER 4 -38.728 -0.629 -11.034
22 HB3 SER 4 HB2 SER 4 -39.738 -1.140 -9.684
23 HG SER 4 HG SER 4 -38.708 1.247 -10.142
24 H ARG 5 H ARG 5 -35.615 -2.068 -7.993
25 HA ARG 5 HA ARG 5 -34.563 0.447 -7.450
26 HB2 ARG 5 HB3 ARG 5 -33.156 -2.214 -7.757
27 HB3 ARG 5 HB2 ARG 5 -32.361 -0.758 -7.160
28 HG2 ARG 5 HG3 ARG 5 -34.006 -0.592 -5.333
29 HG3 ARG 5 HG2 ARG 5 -34.819 -2.042 -5.922
30 HD2 ARG 5 HD3 ARG 5 -32.712 -3.321 -5.604
31 HD3 ARG 5 HD2 ARG 5 -31.955 -1.874 -4.945
32 HE ARG 5 HE ARG 5 -33.774 -3.629 -3.574
33 HH11 ARG 5 HH11 ARG 5 -34.297 -3.062 -1.441
34 HH12 ARG 5 HH12 ARG 5 -33.988 -1.454 -0.876
35 HH21 ARG 5 HH21 ARG 5 -32.666 -0.366 -3.891
36 HH22 ARG 5 HH22 ARG 5 -33.066 0.072 -2.263
37 H ARG 6 H ARG 6 -33.790 -1.694 -10.225
38 HA ARG 6 HA ARG 6 -32.778 -1.258 -12.230
39 HB2 ARG 6 HB3 ARG 6 -34.699 0.393 -12.259
40 HB3 ARG 6 HB2 ARG 6 -33.550 1.618 -11.727
41 HG2 ARG 6 HG3 ARG 6 -32.196 1.301 -13.711
42 HG3 ARG 6 HG2 ARG 6 -33.181 -0.072 -14.215
43 HD2 ARG 6 HD3 ARG 6 -34.264 2.731 -13.845
44 HD3 ARG 6 HD2 ARG 6 -33.735 2.087 -15.396
45 HE ARG 6 HE ARG 6 -35.498 0.220 -14.725
46 HH11 ARG 6 HH11 ARG 6 -37.762 0.297 -14.868
47 HH12 ARG 6 HH12 ARG 6 -38.581 1.820 -14.764
48 HH21 ARG 6 HH21 ARG 6 -35.676 3.669 -14.387
49 HH22 ARG 6 HH22 ARG 6 -37.403 3.722 -14.492
50 H ASN 7 H ASN 7 -30.703 -1.754 -11.502
51 HA ASN 7 HA ASN 7 -28.471 -1.411 -11.090
52 HB2 ASN 7 HB3 ASN 7 -27.414 0.254 -12.331
53 HB3 ASN 7 HB2 ASN 7 -28.912 0.009 -13.215
54 HD21 ASN 7 HD21 ASN 7 -30.186 1.960 -13.558
55 HD22 ASN 7 HD22 ASN 7 -29.924 3.398 -12.701
56 H ARG 8 H ARG 8 -27.415 -1.044 -9.250
57 HA ARG 8 HA ARG 8 -28.618 0.437 -7.146
58 HB2 ARG 8 HB3 ARG 8 -26.895 -1.528 -6.981
59 HB3 ARG 8 HB2 ARG 8 -25.684 -0.251 -7.107
60 HG2 ARG 8 HG3 ARG 8 -25.996 -0.422 -4.789
61 HG3 ARG 8 HG2 ARG 8 -27.062 0.916 -5.215
62 HD2 ARG 8 HD3 ARG 8 -28.674 -0.279 -4.109
63 HD3 ARG 8 HD2 ARG 8 -28.728 -1.286 -5.551
64 HE ARG 8 HE ARG 8 -27.641 -2.966 -4.359
65 HH11 ARG 8 HH11 ARG 8 -26.768 -3.850 -2.455
66 HH12 ARG 8 HH12 ARG 8 -26.404 -2.816 -1.114
67 HH21 ARG 8 HH21 ARG 8 -27.470 0.071 -2.706
68 HH22 ARG 8 HH22 ARG 8 -26.801 -0.599 -1.255
69 H LEU 9 H LEU 9 -25.883 1.205 -9.313
70 HA LEU 9 HA LEU 9 -26.380 4.027 -8.953
71 HB2 LEU 9 HB3 LEU 9 -24.778 3.019 -7.036
72 HB3 LEU 9 HB2 LEU 9 -23.559 3.294 -8.271
73 HG LEU 9 HG LEU 9 -23.704 5.244 -6.827
74 HD11 LEU 9 HD11 LEU 9 -23.242 5.704 -9.182
75 HD12 LEU 9 HD12 LEU 9 -24.210 7.000 -8.491
76 HD13 LEU 9 HD13 LEU 9 -24.970 5.797 -9.524
77 HD21 LEU 9 HD21 LEU 9 -25.643 6.307 -6.182
78 HD22 LEU 9 HD22 LEU 9 -26.291 4.686 -6.400
79 HD23 LEU 9 HD23 LEU 9 -26.508 5.900 -7.660
80 H LEU 10 H LEU 10 -26.468 2.310 -11.174
81 HA LEU 10 HA LEU 10 -25.421 1.801 -13.220
82 HB2 LEU 10 HB3 LEU 10 -25.304 3.919 -14.565
83 HB3 LEU 10 HB2 LEU 10 -26.846 3.573 -13.793
84 HG LEU 10 HG LEU 10 -24.905 5.263 -12.240
85 HD11 LEU 10 HD11 LEU 10 -25.659 7.303 -13.427
86 HD12 LEU 10 HD12 LEU 10 -26.512 6.296 -14.599
87 HD13 LEU 10 HD13 LEU 10 -24.753 6.231 -14.493
88 HD21 LEU 10 HD21 LEU 10 -27.239 4.578 -11.463
89 HD22 LEU 10 HD22 LEU 10 -27.874 5.622 -12.732
90 HD23 LEU 10 HD23 LEU 10 -26.908 6.307 -11.424
91 H GLN 11 H GLN 11 -23.480 1.002 -13.563
92 HA GLN 11 HA GLN 11 -21.202 0.924 -13.926
93 HB2 GLN 11 HB3 GLN 11 -20.554 2.651 -15.252
94 HB3 GLN 11 HB2 GLN 11 -22.000 3.529 -14.786
95 HG2 GLN 11 HG3 GLN 11 -20.770 4.451 -12.818
96 HG3 GLN 11 HG2 GLN 11 -19.322 3.605 -13.357
97 HE21 GLN 11 HE21 GLN 11 -19.880 6.576 -13.137
98 HE22 GLN 11 HE22 GLN 11 -19.548 7.189 -14.684
99 H SER 12 H SER 12 -19.472 0.724 -12.660
100 HA SER 12 HA SER 12 -18.311 0.539 -10.662
101 HB2 SER 12 HB3 SER 12 -17.941 2.695 -9.488
102 HB3 SER 12 HB2 SER 12 -17.677 2.813 -11.226
103 HG SER 12 HG SER 12 -19.008 4.503 -10.227
104 H ASP 13 H ASP 13 -21.598 0.778 -10.665
105 HA ASP 13 HA ASP 13 -23.253 0.729 -9.039
106 HB2 ASP 13 HB3 ASP 13 -23.052 -1.199 -7.629
107 HB3 ASP 13 HB2 ASP 13 -22.302 -1.586 -9.175
108 H TYR 14 H TYR 14 -23.105 0.147 -6.291
109 HA TYR 14 HA TYR 14 -22.549 2.724 -5.275
110 HB2 TYR 14 HB3 TYR 14 -24.332 1.187 -4.410
111 HB3 TYR 14 HB2 TYR 14 -23.056 0.190 -3.712
112 HD1 TYR 14 HD1 TYR 14 -24.944 3.298 -3.447
113 HD2 TYR 14 HD2 TYR 14 -21.609 1.083 -1.909
114 HE1 TYR 14 HE1 TYR 14 -24.852 4.808 -1.476
115 HE2 TYR 14 HE2 TYR 14 -21.509 2.586 0.060
116 HH TYR 14 HH TYR 14 -23.200 5.536 0.205
117 H MET 15 H MET 15 -20.506 0.147 -5.891
118 HA MET 15 HA MET 15 -18.568 -0.599 -4.672
119 HB2 MET 15 HB3 MET 15 -18.013 0.481 -6.793
120 HB3 MET 15 HB2 MET 15 -17.973 2.050 -5.999
121 HG2 MET 15 HG3 MET 15 -15.702 1.129 -6.310
122 HG3 MET 15 HG2 MET 15 -16.086 1.291 -4.605
123 HE1 MET 15 HE1 MET 15 -14.706 -0.210 -3.432
124 HE2 MET 15 HE2 MET 15 -15.129 -1.908 -3.232
125 HE3 MET 15 HE3 MET 15 -16.340 -0.665 -2.928
126 H ASN 16 H ASN 16 -19.357 -0.331 -2.485
127 HA ASN 16 HA ASN 16 -19.412 1.770 -0.810
128 HB2 ASN 16 HB3 ASN 16 -19.693 -0.585 -0.053
129 HB3 ASN 16 HB2 ASN 16 -17.942 -0.789 -0.107
130 HD21 ASN 16 HD21 ASN 16 -19.057 2.361 0.864
131 HD22 ASN 16 HD22 ASN 16 -18.772 2.166 2.526
132 H MET 17 H MET 17 -18.038 3.036 0.398
133 HA MET 17 HA MET 17 -16.059 4.087 1.047
134 HB2 MET 17 HB3 MET 17 -14.451 2.383 -0.867
135 HB3 MET 17 HB2 MET 17 -13.888 3.315 0.503
136 HG2 MET 17 HG3 MET 17 -14.023 1.432 1.769
137 HG3 MET 17 HG2 MET 17 -15.768 1.487 1.599
138 HE1 MET 17 HE1 MET 17 -16.071 -0.777 1.959
139 HE2 MET 17 HE2 MET 17 -14.444 -1.450 1.996
140 HE3 MET 17 HE3 MET 17 -15.649 -2.135 0.908
141 H THR 18 H THR 18 -15.640 3.212 -2.410
142 HA THR 18 HA THR 18 -16.459 5.744 -3.357
143 HB THR 18 HB THR 18 -14.212 6.252 -2.165
144 HG1 THR 18 HG1 THR 18 -14.350 7.927 -3.379
145 HG21 THR 18 HG21 THR 18 -12.198 5.737 -3.295
146 HG22 THR 18 HG22 THR 18 -13.044 5.255 -4.767
147 HG23 THR 18 HG23 THR 18 -13.106 4.226 -3.336
148 HA PRO 19 HA PRO 19 -16.543 3.391 -7.184
149 HB2 PRO 19 HB3 PRO 19 -15.477 5.814 -8.578
150 HB3 PRO 19 HB2 PRO 19 -16.922 4.851 -8.944
151 HG2 PRO 19 HG3 PRO 19 -17.052 7.278 -7.774
152 HG3 PRO 19 HG2 PRO 19 -18.225 5.991 -7.446
153 HD2 PRO 19 HD3 PRO 19 -16.056 7.038 -5.696
154 HD3 PRO 19 HD2 PRO 19 -17.576 6.225 -5.262
155 H ARG 20 H ARG 20 -15.071 2.216 -8.412
156 HA ARG 20 HA ARG 20 -12.820 1.228 -7.852
157 HB2 ARG 20 HB3 ARG 20 -13.674 1.100 -10.154
158 HB3 ARG 20 HB2 ARG 20 -12.975 2.683 -10.495
159 HG2 ARG 20 HG3 ARG 20 -10.731 1.837 -10.050
160 HG3 ARG 20 HG2 ARG 20 -11.389 0.273 -9.562
161 HD2 ARG 20 HD3 ARG 20 -12.286 -0.084 -11.786
162 HD3 ARG 20 HD2 ARG 20 -11.750 1.512 -12.289
163 HE ARG 20 HE ARG 20 -10.122 -0.856 -12.104
164 HH11 ARG 20 HH11 ARG 20 -7.936 -0.589 -12.675
165 HH12 ARG 20 HH12 ARG 20 -7.258 1.002 -12.759
166 HH21 ARG 20 HH21 ARG 20 -10.204 2.592 -11.869
167 HH22 ARG 20 HH22 ARG 20 -8.541 2.804 -12.302
168 H ARG 21 H ARG 21 -11.165 1.804 -6.689
169 HA ARG 21 HA ARG 21 -10.251 4.539 -6.607
170 HB2 ARG 21 HB3 ARG 21 -8.459 3.310 -5.019
171 HB3 ARG 21 HB2 ARG 21 -10.089 3.682 -4.470
172 HG2 ARG 21 HG3 ARG 21 -9.450 1.346 -3.950
173 HG3 ARG 21 HG2 ARG 21 -10.832 1.419 -5.038
174 HD2 ARG 21 HD3 ARG 21 -9.575 0.716 -6.888
175 HD3 ARG 21 HD2 ARG 21 -8.047 1.215 -6.168
176 HE ARG 21 HE ARG 21 -9.291 -1.337 -5.879
177 HH11 ARG 21 HH11 ARG 21 -8.348 -2.797 -4.422
178 HH12 ARG 21 HH12 ARG 21 -7.246 -2.224 -3.216
179 HH21 ARG 21 HH21 ARG 21 -7.470 1.093 -4.207
180 HH22 ARG 21 HH22 ARG 21 -6.747 -0.021 -3.093
181 HA PRO 22 HA PRO 22 -6.947 4.038 -9.521
182 HB2 PRO 22 HB3 PRO 22 -5.219 5.975 -8.744
183 HB3 PRO 22 HB2 PRO 22 -6.818 6.372 -9.413
184 HG2 PRO 22 HG3 PRO 22 -5.971 6.211 -6.547
185 HG3 PRO 22 HG2 PRO 22 -6.884 7.492 -7.368
186 HD2 PRO 22 HD3 PRO 22 -8.124 5.573 -5.895
187 HD3 PRO 22 HD2 PRO 22 -8.872 6.267 -7.356
188 H GLY 23 H GLY 23 -5.594 2.336 -9.496
189 HA2 GLY 23 HA2 GLY 23 -4.548 1.032 -7.302
190 HA3 GLY 23 HA1 GLY 23 -3.812 0.961 -8.902
191 H LEU 24 H LEU 24 -2.765 1.198 -6.034
192 HA LEU 24 HA LEU 24 -0.578 2.971 -6.670
193 HB2 LEU 24 HB3 LEU 24 -2.486 4.426 -5.732
194 HB3 LEU 24 HB2 LEU 24 -2.175 3.617 -4.198
195 HG LEU 24 HG LEU 24 0.361 4.313 -4.747
196 HD11 LEU 24 HD11 LEU 24 0.475 6.494 -5.859
197 HD12 LEU 24 HD12 LEU 24 -1.268 6.478 -6.122
198 HD13 LEU 24 HD13 LEU 24 -0.240 5.313 -6.955
199 HD21 LEU 24 HD21 LEU 24 -0.820 5.022 -2.738
200 HD22 LEU 24 HD22 LEU 24 -1.773 6.183 -3.663
201 HD23 LEU 24 HD23 LEU 24 -0.038 6.428 -3.460
202 H THR 25 H THR 25 -0.707 0.228 -6.214
203 HA THR 25 HA THR 25 0.415 -0.141 -3.494
204 HB THR 25 HB THR 25 0.196 -2.620 -4.092
205 HG1 THR 25 HG1 THR 25 -0.717 -1.411 -6.367
206 HG21 THR 25 HG21 THR 25 -2.173 -0.780 -3.737
207 HG22 THR 25 HG22 THR 25 -1.453 -1.901 -2.581
208 HG23 THR 25 HG23 THR 25 -2.413 -2.514 -3.924
209 H ARG 26 H ARG 26 1.030 -1.676 -6.645
210 HA ARG 26 HA ARG 26 3.627 -2.442 -6.214
211 HB2 ARG 26 HB3 ARG 26 3.921 -1.996 -8.776
212 HB3 ARG 26 HB2 ARG 26 2.750 -3.198 -8.248
213 HG2 ARG 26 HG3 ARG 26 1.746 -1.769 -9.954
214 HG3 ARG 26 HG2 ARG 26 0.951 -1.482 -8.411
215 HD2 ARG 26 HD3 ARG 26 1.919 0.618 -8.153
216 HD3 ARG 26 HD2 ARG 26 3.301 0.229 -9.175
217 HE ARG 26 HE ARG 26 1.266 0.157 -10.945
218 HH11 ARG 26 HH11 ARG 26 0.444 1.976 -12.035
219 HH12 ARG 26 HH12 ARG 26 0.562 3.542 -11.304
220 HH21 ARG 26 HH21 ARG 26 2.170 2.375 -8.458
221 HH22 ARG 26 HH22 ARG 26 1.541 3.769 -9.273
222 H LYS 27 H LYS 27 5.664 -1.501 -7.091
223 HA LYS 27 HA LYS 27 6.009 1.107 -6.005
224 HB2 LYS 27 HB3 LYS 27 7.692 -1.044 -6.427
225 HB3 LYS 27 HB2 LYS 27 8.221 0.061 -7.683
226 HG2 LYS 27 HG3 LYS 27 9.538 0.981 -6.048
227 HG3 LYS 27 HG2 LYS 27 8.071 1.754 -5.475
228 HD2 LYS 27 HD3 LYS 27 8.825 0.713 -3.519
229 HD3 LYS 27 HD2 LYS 27 7.745 -0.533 -4.144
230 HE2 LYS 27 HE3 LYS 27 9.736 -1.688 -3.599
231 HE3 LYS 27 HE2 LYS 27 9.819 -1.476 -5.349
232 HZ1 LYS 27 HZ1 LYS 27 11.015 0.718 -4.686
233 HZ2 LYS 27 HZ2 LYS 27 11.873 -0.748 -4.702
234 HZ3 LYS 27 HZ3 LYS 27 11.318 -0.102 -3.231
235 HA PRO 28 HA PRO 28 4.522 3.304 -9.701
236 HB2 PRO 28 HB3 PRO 28 6.381 5.385 -8.574
237 HB3 PRO 28 HB2 PRO 28 4.732 5.572 -9.205
238 HG2 PRO 28 HG3 PRO 28 5.219 5.517 -6.586
239 HG3 PRO 28 HG2 PRO 28 3.764 4.772 -7.273
240 HD2 PRO 28 HD3 PRO 28 6.191 3.458 -6.154
241 HD3 PRO 28 HD2 PRO 28 4.525 2.845 -6.270
242 H TYR 29 H TYR 29 5.842 1.739 -10.998
243 HA TYR 29 HA TYR 29 7.553 1.171 -12.473
244 HB2 TYR 29 HB3 TYR 29 8.159 3.355 -13.897
245 HB3 TYR 29 HB2 TYR 29 6.580 2.590 -14.026
246 HD1 TYR 29 HD1 TYR 29 8.426 5.528 -12.890
247 HD2 TYR 29 HD2 TYR 29 4.626 3.525 -12.794
248 HE1 TYR 29 HE1 TYR 29 7.351 7.608 -12.084
249 HE2 TYR 29 HE2 TYR 29 3.550 5.611 -11.993
250 HH TYR 29 HH TYR 29 5.476 8.531 -11.317
251 H GLN 30 H GLN 30 9.845 1.814 -13.307
252 HA GLN 30 HA GLN 30 12.046 1.627 -12.423
253 HB2 GLN 30 HB3 GLN 30 13.035 3.822 -12.371
254 HB3 GLN 30 HB2 GLN 30 11.792 3.811 -13.614
255 HG2 GLN 30 HG3 GLN 30 10.329 4.674 -11.451
256 HG3 GLN 30 HG2 GLN 30 11.903 5.336 -11.052
257 HE21 GLN 30 HE21 GLN 30 10.746 7.477 -11.407
258 HE22 GLN 30 HE22 GLN 30 10.633 8.069 -12.995
259 HA PRO 31 HA PRO 31 10.707 1.553 -7.960
260 HB2 PRO 31 HB3 PRO 31 12.408 -0.897 -8.052
261 HB3 PRO 31 HB2 PRO 31 10.798 -0.671 -7.339
262 HG2 PRO 31 HG3 PRO 31 11.132 -2.004 -9.632
263 HG3 PRO 31 HG2 PRO 31 9.717 -0.972 -9.354
264 HD2 PRO 31 HD3 PRO 31 12.149 -0.424 -11.024
265 HD3 PRO 31 HD2 PRO 31 10.455 0.035 -11.315
266 H TYR 32 H TYR 32 13.914 0.385 -8.968
267 HA TYR 32 HA TYR 32 15.995 0.719 -7.974
268 HB2 TYR 32 HB3 TYR 32 16.830 2.676 -8.825
269 HB3 TYR 32 HB2 TYR 32 15.238 2.791 -9.564
270 HD1 TYR 32 HD1 TYR 32 13.556 4.339 -8.693
271 HD2 TYR 32 HD2 TYR 32 17.442 4.038 -6.901
272 HE1 TYR 32 HE1 TYR 32 13.134 6.436 -7.442
273 HE2 TYR 32 HE2 TYR 32 17.028 6.138 -5.649
274 HH TYR 32 HH TYR 32 14.633 8.286 -6.406
275 H ALA 33 H ALA 33 16.351 0.167 -5.907
276 HA ALA 33 HA ALA 33 15.939 2.183 -3.830
277 HB1 ALA 33 HB1 ALA 33 14.745 -0.564 -3.456
278 HB2 ALA 33 HB2 ALA 33 13.799 0.817 -4.008
279 HB3 ALA 33 HB3 ALA 33 14.564 0.852 -2.420
280 HA PRO 34 HA PRO 34 19.770 -0.542 -3.593
281 HB2 PRO 34 HB3 PRO 34 20.895 2.117 -2.790
282 HB3 PRO 34 HB2 PRO 34 21.573 0.890 -3.882
283 HG2 PRO 34 HG3 PRO 34 20.505 3.139 -4.834
284 HG3 PRO 34 HG2 PRO 34 20.299 1.593 -5.677
285 HD2 PRO 34 HD3 PRO 34 18.321 3.098 -3.995
286 HD3 PRO 34 HD2 PRO 34 18.046 2.131 -5.464
287 H ALA 35 H ALA 35 19.168 -1.658 -1.804
288 HA ALA 35 HA ALA 35 19.309 -0.262 0.818
289 HB1 ALA 35 HB1 ALA 35 17.028 -1.221 0.155
290 HB2 ALA 35 HB2 ALA 35 17.675 -1.719 1.716
291 HB3 ALA 35 HB3 ALA 35 17.756 -2.816 0.342
292 H ARG 36 H ARG 36 19.477 -3.620 -0.393
293 HA ARG 36 HA ARG 36 20.726 -5.321 0.823
294 HB2 ARG 36 HB3 ARG 36 22.921 -5.351 -0.530
295 HB3 ARG 36 HB2 ARG 36 21.410 -5.456 -1.412
296 HG2 ARG 36 HG3 ARG 36 22.602 -3.872 -2.659
297 HG3 ARG 36 HG2 ARG 36 21.614 -2.847 -1.632
298 HD2 ARG 36 HD3 ARG 36 24.387 -3.648 -0.755
299 HD3 ARG 36 HD2 ARG 36 24.145 -2.305 -1.865
300 HE ARG 36 HE ARG 36 22.556 -2.251 0.582
301 HH11 ARG 36 HH11 ARG 36 22.914 -0.465 1.909
302 HH12 ARG 36 HH12 ARG 36 24.258 0.585 1.607
303 HH21 ARG 36 HH21 ARG 36 25.367 -1.201 -1.153
304 HH22 ARG 36 HH22 ARG 36 25.645 0.168 -0.132
305 H ASP 37 H ASP 37 20.691 -3.681 2.809
306 HA ASP 37 HA ASP 37 22.077 -2.226 4.205
307 HB2 ASP 37 HB3 ASP 37 21.245 -4.214 5.340
308 HB3 ASP 37 HB2 ASP 37 22.625 -5.146 4.761
309 H PHE 38 H PHE 38 24.262 -4.886 4.152
310 HA PHE 38 HA PHE 38 26.201 -3.805 2.434
311 HB2 PHE 38 HB3 PHE 38 26.159 -2.644 5.074
312 HB3 PHE 38 HB2 PHE 38 27.633 -3.585 4.914
313 HD1 PHE 38 HD1 PHE 38 25.937 -0.528 4.016
314 HD2 PHE 38 HD2 PHE 38 29.134 -3.168 2.867
315 HE1 PHE 38 HE1 PHE 38 26.923 1.266 2.618
316 HE2 PHE 38 HE2 PHE 38 30.110 -1.373 1.469
317 HZ PHE 38 HZ PHE 38 29.005 0.843 1.341
318 H ALA 39 H ALA 39 24.873 -6.104 4.317
319 HA ALA 39 HA ALA 39 25.361 -8.317 4.771
320 HB1 ALA 39 HB1 ALA 39 26.842 -9.425 3.073
321 HB2 ALA 39 HB2 ALA 39 27.136 -7.834 2.372
322 HB3 ALA 39 HB3 ALA 39 25.505 -8.507 2.378
323 H ALA 40 H ALA 40 26.663 -6.634 6.488
324 HA ALA 40 HA ALA 40 28.224 -6.957 8.188
325 HB1 ALA 40 HB1 ALA 40 29.948 -8.748 6.506
326 HB2 ALA 40 HB2 ALA 40 28.419 -9.373 7.123
327 HB3 ALA 40 HB3 ALA 40 29.646 -8.785 8.245
328 H TYR 41 H TYR 41 28.253 -4.784 6.731
329 HA TYR 41 HA TYR 41 29.582 -3.018 5.923
330 HB2 TYR 41 HB3 TYR 41 30.497 -3.236 8.195
331 HB3 TYR 41 HB2 TYR 41 31.649 -4.442 7.617
332 HD1 TYR 41 HD1 TYR 41 30.508 -0.926 7.025
333 HD2 TYR 41 HD2 TYR 41 33.717 -3.762 6.700
334 HE1 TYR 41 HE1 TYR 41 32.035 0.886 6.291
335 HE2 TYR 41 HE2 TYR 41 35.243 -1.951 5.967
336 HH TYR 41 HH TYR 41 35.192 0.222 5.024
337 H ARG 42 H ARG 42 29.657 -5.859 4.676
338 HA ARG 42 HA ARG 42 31.915 -6.673 3.476
339 HB2 ARG 42 HB3 ARG 42 29.585 -7.445 2.853
340 HB3 ARG 42 HB2 ARG 42 29.499 -6.055 1.768
341 HG2 ARG 42 HG3 ARG 42 31.343 -6.852 0.460
342 HG3 ARG 42 HG2 ARG 42 31.732 -8.097 1.646
343 HD2 ARG 42 HD3 ARG 42 28.949 -8.281 0.666
344 HD3 ARG 42 HD2 ARG 42 30.148 -8.491 -0.604
345 HE ARG 42 HE ARG 42 29.523 -10.379 1.410
346 HH11 ARG 42 HH11 ARG 42 30.851 -12.206 1.605
347 HH12 ARG 42 HH12 ARG 42 32.455 -12.180 0.953
348 HH21 ARG 42 HH21 ARG 42 32.193 -8.934 -0.246
349 HH22 ARG 42 HH22 ARG 42 33.217 -10.324 -0.097
350 HA PRO 43 HA PRO 43 33.452 -2.549 2.085
351 HB2 PRO 43 HB3 PRO 43 35.629 -4.401 1.155
352 HB3 PRO 43 HB2 PRO 43 35.762 -2.813 1.943
353 HG2 PRO 43 HG3 PRO 43 36.178 -5.024 3.331
354 HG3 PRO 43 HG2 PRO 43 35.279 -3.672 4.044
355 HD2 PRO 43 HD3 PRO 43 34.244 -6.280 3.000
356 HD3 PRO 43 HD2 PRO 43 33.664 -5.304 4.365
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -32.641 5.459 -2.198
2 H2 GLY 1 H2 GLY 1 -34.002 5.440 -3.212
3 H3 GLY 1 H3 GLY 1 -32.718 6.503 -3.531
4 HA2 GLY 1 HA2 GLY 1 -32.510 4.740 -5.072
5 HA3 GLY 1 HA1 GLY 1 -31.256 4.521 -3.851
6 H THR 2 H THR 2 -31.086 2.306 -3.931
7 HA THR 2 HA THR 2 -31.596 0.102 -3.526
8 HB THR 2 HB THR 2 -32.771 -0.322 -1.565
9 HG1 THR 2 HG1 THR 2 -34.357 1.952 -1.660
10 HG21 THR 2 HG21 THR 2 -31.079 1.671 -1.391
11 HG22 THR 2 HG22 THR 2 -32.158 1.346 -0.036
12 HG23 THR 2 HG23 THR 2 -32.527 2.650 -1.162
13 H ASN 3 H ASN 3 -33.111 -1.628 -4.012
14 HA ASN 3 HA ASN 3 -34.653 -2.634 -5.374
15 HB2 ASN 3 HB3 ASN 3 -36.875 -1.984 -5.069
16 HB3 ASN 3 HB2 ASN 3 -36.091 -1.338 -3.635
17 HD21 ASN 3 HD21 ASN 3 -36.890 -0.285 -6.998
18 HD22 ASN 3 HD22 ASN 3 -37.261 1.309 -6.560
19 H SER 4 H SER 4 -34.866 -2.846 -7.518
20 HA SER 4 HA SER 4 -34.953 -2.299 -9.777
21 HB2 SER 4 HB3 SER 4 -35.980 -0.334 -10.404
22 HB3 SER 4 HB2 SER 4 -36.439 -0.347 -8.704
23 HG SER 4 HG SER 4 -35.497 1.560 -8.809
24 H ARG 5 H ARG 5 -32.429 -2.446 -8.318
25 HA ARG 5 HA ARG 5 -30.717 -0.313 -9.114
26 HB2 ARG 5 HB3 ARG 5 -30.106 -3.146 -8.252
27 HB3 ARG 5 HB2 ARG 5 -28.870 -1.928 -8.570
28 HG2 ARG 5 HG3 ARG 5 -29.846 -0.465 -6.849
29 HG3 ARG 5 HG2 ARG 5 -31.102 -1.663 -6.530
30 HD2 ARG 5 HD3 ARG 5 -29.334 -3.308 -5.922
31 HD3 ARG 5 HD2 ARG 5 -28.118 -2.056 -6.160
32 HE ARG 5 HE ARG 5 -29.827 -2.364 -3.873
33 HH11 ARG 5 HH11 ARG 5 -29.604 -0.801 -2.236
34 HH12 ARG 5 HH12 ARG 5 -28.814 0.702 -2.581
35 HH21 ARG 5 HH21 ARG 5 -28.174 -0.087 -5.893
36 HH22 ARG 5 HH22 ARG 5 -28.004 1.103 -4.648
37 H ARG 6 H ARG 6 -29.643 0.052 -10.972
38 HA ARG 6 HA ARG 6 -28.876 -2.022 -12.772
39 HB2 ARG 6 HB3 ARG 6 -30.267 -1.634 -14.645
40 HB3 ARG 6 HB2 ARG 6 -31.363 -1.744 -13.281
41 HG2 ARG 6 HG3 ARG 6 -30.398 0.981 -14.194
42 HG3 ARG 6 HG2 ARG 6 -31.689 0.166 -15.057
43 HD2 ARG 6 HD3 ARG 6 -32.609 1.638 -13.333
44 HD3 ARG 6 HD2 ARG 6 -32.967 -0.049 -12.973
45 HE ARG 6 HE ARG 6 -31.490 0.039 -11.158
46 HH11 ARG 6 HH11 ARG 6 -30.303 1.271 -9.623
47 HH12 ARG 6 HH12 ARG 6 -29.879 2.908 -9.977
48 HH21 ARG 6 HH21 ARG 6 -31.376 2.922 -13.092
49 HH22 ARG 6 HH22 ARG 6 -30.480 3.836 -11.926
50 H ASN 7 H ASN 7 -27.251 -1.379 -14.133
51 HA ASN 7 HA ASN 7 -25.437 -0.060 -14.704
52 HB2 ASN 7 HB3 ASN 7 -27.148 0.604 -16.350
53 HB3 ASN 7 HB2 ASN 7 -27.669 1.902 -15.276
54 HD21 ASN 7 HD21 ASN 7 -26.061 3.726 -14.911
55 HD22 ASN 7 HD22 ASN 7 -24.796 3.949 -16.016
56 H ARG 8 H ARG 8 -25.166 -0.046 -12.200
57 HA ARG 8 HA ARG 8 -25.655 1.877 -10.405
58 HB2 ARG 8 HB3 ARG 8 -23.473 0.051 -10.778
59 HB3 ARG 8 HB2 ARG 8 -22.762 1.598 -10.371
60 HG2 ARG 8 HG3 ARG 8 -23.136 0.485 -8.297
61 HG3 ARG 8 HG2 ARG 8 -24.404 1.703 -8.418
62 HD2 ARG 8 HD3 ARG 8 -26.051 0.081 -8.998
63 HD3 ARG 8 HD2 ARG 8 -24.836 -1.142 -9.352
64 HE ARG 8 HE ARG 8 -24.836 -1.678 -7.109
65 HH11 ARG 8 HH11 ARG 8 -25.454 -1.415 -4.946
66 HH12 ARG 8 HH12 ARG 8 -26.187 0.067 -4.433
67 HH21 ARG 8 HH21 ARG 8 -26.053 1.532 -7.571
68 HH22 ARG 8 HH22 ARG 8 -26.525 1.734 -5.917
69 H LEU 9 H LEU 9 -22.757 2.304 -12.460
70 HA LEU 9 HA LEU 9 -23.459 4.918 -13.309
71 HB2 LEU 9 HB3 LEU 9 -22.960 5.231 -10.805
72 HB3 LEU 9 HB2 LEU 9 -21.282 4.893 -11.222
73 HG LEU 9 HG LEU 9 -21.637 6.758 -13.052
74 HD11 LEU 9 HD11 LEU 9 -24.037 7.076 -12.779
75 HD12 LEU 9 HD12 LEU 9 -23.213 8.531 -12.228
76 HD13 LEU 9 HD13 LEU 9 -23.837 7.375 -11.053
77 HD21 LEU 9 HD21 LEU 9 -20.056 7.113 -11.298
78 HD22 LEU 9 HD22 LEU 9 -21.323 7.223 -10.077
79 HD23 LEU 9 HD23 LEU 9 -21.120 8.520 -11.255
80 H LEU 10 H LEU 10 -22.547 2.697 -14.622
81 HA LEU 10 HA LEU 10 -20.762 1.737 -15.799
82 HB2 LEU 10 HB3 LEU 10 -20.017 3.369 -17.576
83 HB3 LEU 10 HB2 LEU 10 -21.749 3.094 -17.447
84 HG LEU 10 HG LEU 10 -20.577 5.371 -15.872
85 HD11 LEU 10 HD11 LEU 10 -20.853 6.864 -17.868
86 HD12 LEU 10 HD12 LEU 10 -21.048 5.425 -18.867
87 HD13 LEU 10 HD13 LEU 10 -19.522 5.716 -18.033
88 HD21 LEU 10 HD21 LEU 10 -22.730 6.266 -16.010
89 HD22 LEU 10 HD22 LEU 10 -23.089 4.544 -16.027
90 HD23 LEU 10 HD23 LEU 10 -23.092 5.453 -17.532
91 H GLN 11 H GLN 11 -18.900 1.075 -15.146
92 HA GLN 11 HA GLN 11 -16.642 1.040 -14.724
93 HB2 GLN 11 HB3 GLN 11 -15.407 2.637 -15.736
94 HB3 GLN 11 HB2 GLN 11 -16.906 3.453 -16.131
95 HG2 GLN 11 HG3 GLN 11 -16.737 4.753 -14.019
96 HG3 GLN 11 HG2 GLN 11 -15.222 3.927 -13.648
97 HE21 GLN 11 HE21 GLN 11 -15.933 6.864 -14.434
98 HE22 GLN 11 HE22 GLN 11 -14.812 7.210 -15.660
99 H SER 12 H SER 12 -16.077 0.472 -12.821
100 HA SER 12 HA SER 12 -15.578 0.544 -10.554
101 HB2 SER 12 HB3 SER 12 -15.267 2.584 -9.500
102 HB3 SER 12 HB2 SER 12 -15.208 3.109 -11.179
103 HG SER 12 HG SER 12 -16.718 4.406 -10.365
104 H ASP 13 H ASP 13 -16.800 0.308 -8.543
105 HA ASP 13 HA ASP 13 -19.719 0.157 -9.029
106 HB2 ASP 13 HB3 ASP 13 -19.755 -1.541 -7.258
107 HB3 ASP 13 HB2 ASP 13 -18.680 -2.000 -8.573
108 H TYR 14 H TYR 14 -21.142 1.089 -7.676
109 HA TYR 14 HA TYR 14 -20.445 3.369 -6.283
110 HB2 TYR 14 HB3 TYR 14 -22.712 2.740 -7.186
111 HB3 TYR 14 HB2 TYR 14 -22.884 1.651 -5.811
112 HD1 TYR 14 HD1 TYR 14 -22.878 5.122 -6.933
113 HD2 TYR 14 HD2 TYR 14 -23.030 2.536 -3.520
114 HE1 TYR 14 HE1 TYR 14 -23.659 7.021 -5.533
115 HE2 TYR 14 HE2 TYR 14 -23.803 4.427 -2.109
116 HH TYR 14 HH TYR 14 -23.623 7.645 -3.097
117 H MET 15 H MET 15 -19.821 0.264 -5.367
118 HA MET 15 HA MET 15 -19.880 -0.784 -3.219
119 HB2 MET 15 HB3 MET 15 -17.588 -0.378 -4.023
120 HB3 MET 15 HB2 MET 15 -17.594 1.200 -3.253
121 HG2 MET 15 HG3 MET 15 -16.418 -0.619 -1.944
122 HG3 MET 15 HG2 MET 15 -17.670 0.230 -1.054
123 HE1 MET 15 HE1 MET 15 -19.930 -0.845 -0.252
124 HE2 MET 15 HE2 MET 15 -18.454 -1.153 0.661
125 HE3 MET 15 HE3 MET 15 -19.612 -2.457 0.407
126 H ASN 16 H ASN 16 -21.896 0.259 -2.498
127 HA ASN 16 HA ASN 16 -22.718 2.341 -1.240
128 HB2 ASN 16 HB3 ASN 16 -23.928 0.301 -0.847
129 HB3 ASN 16 HB2 ASN 16 -22.637 -0.332 0.174
130 HD21 ASN 16 HD21 ASN 16 -23.754 3.053 0.318
131 HD22 ASN 16 HD22 ASN 16 -24.426 2.932 1.872
132 H MET 17 H MET 17 -22.253 3.837 0.175
133 HA MET 17 HA MET 17 -21.378 4.764 2.196
134 HB2 MET 17 HB3 MET 17 -19.083 2.786 2.011
135 HB3 MET 17 HB2 MET 17 -19.430 3.902 3.313
136 HG2 MET 17 HG3 MET 17 -20.957 2.511 4.291
137 HG3 MET 17 HG2 MET 17 -21.670 2.033 2.762
138 HE1 MET 17 HE1 MET 17 -20.911 -1.501 3.586
139 HE2 MET 17 HE2 MET 17 -21.985 -0.297 2.876
140 HE3 MET 17 HE3 MET 17 -21.660 -0.263 4.606
141 H THR 18 H THR 18 -19.545 3.643 -0.532
142 HA THR 18 HA THR 18 -18.803 6.117 -1.513
143 HB THR 18 HB THR 18 -17.131 5.179 0.702
144 HG1 THR 18 HG1 THR 18 -16.679 7.322 0.779
145 HG21 THR 18 HG21 THR 18 -14.981 5.961 -0.366
146 HG22 THR 18 HG22 THR 18 -15.798 5.892 -1.927
147 HG23 THR 18 HG23 THR 18 -15.576 4.419 -0.983
148 HA PRO 19 HA PRO 19 -18.047 2.990 -4.681
149 HB2 PRO 19 HB3 PRO 19 -16.271 4.995 -6.013
150 HB3 PRO 19 HB2 PRO 19 -17.645 4.092 -6.679
151 HG2 PRO 19 HG3 PRO 19 -17.846 6.683 -6.083
152 HG3 PRO 19 HG2 PRO 19 -19.197 5.563 -5.831
153 HD2 PRO 19 HD3 PRO 19 -17.348 6.771 -3.796
154 HD3 PRO 19 HD2 PRO 19 -19.083 6.377 -3.680
155 H ARG 20 H ARG 20 -16.469 1.430 -5.069
156 HA ARG 20 HA ARG 20 -14.502 0.833 -3.359
157 HB2 ARG 20 HB3 ARG 20 -13.334 -0.421 -5.098
158 HB3 ARG 20 HB2 ARG 20 -15.077 -0.626 -5.234
159 HG2 ARG 20 HG3 ARG 20 -15.160 0.393 -7.303
160 HG3 ARG 20 HG2 ARG 20 -14.014 1.646 -6.843
161 HD2 ARG 20 HD3 ARG 20 -12.146 0.202 -7.256
162 HD3 ARG 20 HD2 ARG 20 -13.192 -1.206 -7.421
163 HE ARG 20 HE ARG 20 -13.565 -0.583 -9.619
164 HH11 ARG 20 HH11 ARG 20 -13.327 0.773 -11.419
165 HH12 ARG 20 HH12 ARG 20 -12.755 2.394 -11.209
166 HH21 ARG 20 HH21 ARG 20 -12.440 2.119 -7.768
167 HH22 ARG 20 HH22 ARG 20 -12.255 3.155 -9.143
168 H ARG 21 H ARG 21 -12.145 0.921 -3.393
169 HA ARG 21 HA ARG 21 -11.194 3.580 -3.556
170 HB2 ARG 21 HB3 ARG 21 -8.893 2.298 -3.346
171 HB3 ARG 21 HB2 ARG 21 -10.022 2.312 -1.992
172 HG2 ARG 21 HG3 ARG 21 -10.785 0.122 -2.440
173 HG3 ARG 21 HG2 ARG 21 -10.134 0.133 -4.078
174 HD2 ARG 21 HD3 ARG 21 -7.943 -0.228 -3.356
175 HD3 ARG 21 HD2 ARG 21 -8.247 0.440 -1.755
176 HE ARG 21 HE ARG 21 -8.762 -2.294 -2.624
177 HH11 ARG 21 HH11 ARG 21 -9.386 -3.711 -0.959
178 HH12 ARG 21 HH12 ARG 21 -9.854 -3.077 0.583
179 HH21 ARG 21 HH21 ARG 21 -9.357 0.233 -0.336
180 HH22 ARG 21 HH22 ARG 21 -9.837 -0.840 0.936
181 HA PRO 22 HA PRO 22 -10.196 3.421 -7.932
182 HB2 PRO 22 HB3 PRO 22 -8.894 5.758 -8.234
183 HB3 PRO 22 HB2 PRO 22 -10.622 5.719 -7.823
184 HG2 PRO 22 HG3 PRO 22 -8.268 6.109 -6.013
185 HG3 PRO 22 HG2 PRO 22 -9.780 7.036 -6.094
186 HD2 PRO 22 HD3 PRO 22 -9.366 5.043 -4.253
187 HD3 PRO 22 HD2 PRO 22 -10.976 5.447 -4.896
188 H GLY 23 H GLY 23 -8.715 1.536 -7.234
189 HA2 GLY 23 HA2 GLY 23 -6.624 0.495 -7.143
190 HA3 GLY 23 HA1 GLY 23 -6.299 1.536 -8.527
191 H LEU 24 H LEU 24 -4.508 2.694 -8.311
192 HA LEU 24 HA LEU 24 -2.969 4.164 -7.391
193 HB2 LEU 24 HB3 LEU 24 -5.190 4.800 -6.011
194 HB3 LEU 24 HB2 LEU 24 -4.256 4.123 -4.689
195 HG LEU 24 HG LEU 24 -3.904 6.526 -4.787
196 HD11 LEU 24 HD11 LEU 24 -1.445 6.620 -5.033
197 HD12 LEU 24 HD12 LEU 24 -1.468 5.025 -5.776
198 HD13 LEU 24 HD13 LEU 24 -1.971 5.221 -4.099
199 HD21 LEU 24 HD21 LEU 24 -2.540 6.443 -7.452
200 HD22 LEU 24 HD22 LEU 24 -3.410 7.752 -6.664
201 HD23 LEU 24 HD23 LEU 24 -4.307 6.449 -7.434
202 H THR 25 H THR 25 -2.623 1.344 -7.416
203 HA THR 25 HA THR 25 -1.038 0.899 -4.929
204 HB THR 25 HB THR 25 -1.197 -1.540 -5.557
205 HG1 THR 25 HG1 THR 25 -2.851 -0.379 -7.506
206 HG21 THR 25 HG21 THR 25 -3.577 0.120 -4.756
207 HG22 THR 25 HG22 THR 25 -2.707 -1.109 -3.837
208 HG23 THR 25 HG23 THR 25 -3.824 -1.586 -5.111
209 H ARG 26 H ARG 26 -0.995 -0.509 -8.180
210 HA ARG 26 HA ARG 26 1.175 -1.328 -9.033
211 HB2 ARG 26 HB3 ARG 26 1.534 0.634 -10.764
212 HB3 ARG 26 HB2 ARG 26 0.074 -0.350 -10.825
213 HG2 ARG 26 HG3 ARG 26 -0.035 2.050 -9.034
214 HG3 ARG 26 HG2 ARG 26 0.011 2.371 -10.765
215 HD2 ARG 26 HD3 ARG 26 -1.966 0.513 -9.410
216 HD3 ARG 26 HD2 ARG 26 -2.313 2.169 -9.895
217 HE ARG 26 HE ARG 26 -2.045 -0.140 -11.655
218 HH11 ARG 26 HH11 ARG 26 -2.616 0.249 -13.822
219 HH12 ARG 26 HH12 ARG 26 -2.833 1.877 -14.374
220 HH21 ARG 26 HH21 ARG 26 -2.125 3.298 -11.291
221 HH22 ARG 26 HH22 ARG 26 -2.555 3.603 -12.940
222 H LYS 27 H LYS 27 2.366 -0.999 -6.873
223 HA LYS 27 HA LYS 27 3.868 1.313 -6.370
224 HB2 LYS 27 HB3 LYS 27 3.491 -0.535 -4.737
225 HB3 LYS 27 HB2 LYS 27 4.646 -1.517 -5.622
226 HG2 LYS 27 HG3 LYS 27 5.553 1.219 -4.784
227 HG3 LYS 27 HG2 LYS 27 5.363 0.019 -3.513
228 HD2 LYS 27 HD3 LYS 27 6.817 -1.538 -4.948
229 HD3 LYS 27 HD2 LYS 27 7.189 -0.121 -5.925
230 HE2 LYS 27 HE3 LYS 27 7.959 -0.724 -3.092
231 HE3 LYS 27 HE2 LYS 27 8.924 -0.016 -4.386
232 HZ1 LYS 27 HZ1 LYS 27 8.215 1.544 -2.581
233 HZ2 LYS 27 HZ2 LYS 27 6.621 1.377 -3.147
234 HZ3 LYS 27 HZ3 LYS 27 7.820 2.035 -4.155
235 HA PRO 28 HA PRO 28 7.460 -0.940 -8.827
236 HB2 PRO 28 HB3 PRO 28 5.836 -1.836 -11.173
237 HB3 PRO 28 HB2 PRO 28 7.207 -2.635 -10.377
238 HG2 PRO 28 HG3 PRO 28 4.737 -3.531 -10.024
239 HG3 PRO 28 HG2 PRO 28 5.887 -3.491 -8.675
240 HD2 PRO 28 HD3 PRO 28 3.626 -1.609 -9.278
241 HD3 PRO 28 HD2 PRO 28 4.147 -2.276 -7.715
242 H TYR 29 H TYR 29 8.676 0.320 -10.124
243 HA TYR 29 HA TYR 29 7.929 1.753 -12.396
244 HB2 TYR 29 HB3 TYR 29 6.470 3.132 -11.111
245 HB3 TYR 29 HB2 TYR 29 7.642 3.290 -9.807
246 HD1 TYR 29 HD1 TYR 29 7.286 3.986 -13.487
247 HD2 TYR 29 HD2 TYR 29 8.981 5.209 -9.732
248 HE1 TYR 29 HE1 TYR 29 8.202 6.025 -14.560
249 HE2 TYR 29 HE2 TYR 29 9.894 7.246 -10.807
250 HH TYR 29 HH TYR 29 9.615 8.607 -12.702
251 H GLN 30 H GLN 30 10.030 0.365 -12.188
252 HA GLN 30 HA GLN 30 12.341 0.203 -11.895
253 HB2 GLN 30 HB3 GLN 30 13.526 2.004 -13.185
254 HB3 GLN 30 HB2 GLN 30 12.230 1.202 -14.066
255 HG2 GLN 30 HG3 GLN 30 10.742 3.066 -13.724
256 HG3 GLN 30 HG2 GLN 30 11.853 3.819 -12.583
257 HE21 GLN 30 HE21 GLN 30 11.908 5.744 -14.024
258 HE22 GLN 30 HE22 GLN 30 12.851 5.711 -15.434
259 HA PRO 31 HA PRO 31 12.372 3.028 -8.107
260 HB2 PRO 31 HB3 PRO 31 13.404 0.451 -6.986
261 HB3 PRO 31 HB2 PRO 31 12.245 1.599 -6.285
262 HG2 PRO 31 HG3 PRO 31 11.447 -0.730 -7.319
263 HG3 PRO 31 HG2 PRO 31 10.470 0.742 -7.479
264 HD2 PRO 31 HD3 PRO 31 12.150 -0.638 -9.541
265 HD3 PRO 31 HD2 PRO 31 10.633 0.265 -9.737
266 H TYR 32 H TYR 32 14.649 0.559 -9.205
267 HA TYR 32 HA TYR 32 16.962 0.429 -9.102
268 HB2 TYR 32 HB3 TYR 32 17.937 1.869 -10.615
269 HB3 TYR 32 HB2 TYR 32 16.243 2.136 -10.997
270 HD1 TYR 32 HD1 TYR 32 15.126 4.233 -10.372
271 HD2 TYR 32 HD2 TYR 32 19.260 3.539 -9.442
272 HE1 TYR 32 HE1 TYR 32 15.432 6.653 -9.928
273 HE2 TYR 32 HE2 TYR 32 19.567 5.958 -8.992
274 HH TYR 32 HH TYR 32 17.437 8.289 -9.986
275 H ALA 33 H ALA 33 17.609 0.144 -7.078
276 HA ALA 33 HA ALA 33 18.079 2.525 -5.375
277 HB1 ALA 33 HB1 ALA 33 17.699 1.151 -3.478
278 HB2 ALA 33 HB2 ALA 33 17.716 -0.318 -4.454
279 HB3 ALA 33 HB3 ALA 33 16.385 0.829 -4.609
280 HA PRO 34 HA PRO 34 22.289 0.741 -5.935
281 HB2 PRO 34 HB3 PRO 34 23.704 3.059 -6.013
282 HB3 PRO 34 HB2 PRO 34 22.837 2.440 -7.434
283 HG2 PRO 34 HG3 PRO 34 22.074 4.625 -5.553
284 HG3 PRO 34 HG2 PRO 34 21.834 4.512 -7.307
285 HD2 PRO 34 HD3 PRO 34 19.874 3.986 -5.396
286 HD3 PRO 34 HD2 PRO 34 19.825 3.403 -7.076
287 H ALA 35 H ALA 35 23.044 -0.097 -4.061
288 HA ALA 35 HA ALA 35 23.538 1.737 -1.777
289 HB1 ALA 35 HB1 ALA 35 21.449 0.552 -1.294
290 HB2 ALA 35 HB2 ALA 35 22.734 -0.008 -0.223
291 HB3 ALA 35 HB3 ALA 35 22.237 -0.996 -1.597
292 H ARG 36 H ARG 36 24.052 -1.556 -3.019
293 HA ARG 36 HA ARG 36 25.822 -2.966 -2.036
294 HB2 ARG 36 HB3 ARG 36 27.467 -2.889 -3.909
295 HB3 ARG 36 HB2 ARG 36 25.792 -2.949 -4.447
296 HG2 ARG 36 HG3 ARG 36 25.892 -0.401 -4.642
297 HG3 ARG 36 HG2 ARG 36 27.629 -0.538 -4.399
298 HD2 ARG 36 HD3 ARG 36 27.263 -0.506 -6.764
299 HD3 ARG 36 HD2 ARG 36 27.693 -2.155 -6.327
300 HE ARG 36 HE ARG 36 25.498 -2.830 -6.825
301 HH11 ARG 36 HH11 ARG 36 23.489 -2.463 -7.814
302 HH12 ARG 36 HH12 ARG 36 22.992 -0.845 -8.181
303 HH21 ARG 36 HH21 ARG 36 25.869 0.613 -6.918
304 HH22 ARG 36 HH22 ARG 36 24.339 0.895 -7.677
305 H ASP 37 H ASP 37 27.047 -2.752 -0.278
306 HA ASP 37 HA ASP 37 28.190 -0.543 0.817
307 HB2 ASP 37 HB3 ASP 37 28.248 -2.712 1.943
308 HB3 ASP 37 HB2 ASP 37 29.429 -3.305 0.776
309 H PHE 38 H PHE 38 30.608 -2.691 -0.405
310 HA PHE 38 HA PHE 38 31.480 -1.353 -2.639
311 HB2 PHE 38 HB3 PHE 38 32.166 0.098 -0.194
312 HB3 PHE 38 HB2 PHE 38 33.627 -0.357 -1.054
313 HD1 PHE 38 HD1 PHE 38 31.050 2.080 -0.831
314 HD2 PHE 38 HD2 PHE 38 33.591 0.090 -3.692
315 HE1 PHE 38 HE1 PHE 38 30.642 3.893 -2.469
316 HE2 PHE 38 HE2 PHE 38 33.169 1.907 -5.315
317 HZ PHE 38 HZ PHE 38 31.703 3.808 -4.707
318 H ALA 39 H ALA 39 31.201 -3.871 -1.884
319 HA ALA 39 HA ALA 39 32.406 -5.846 -1.169
320 HB1 ALA 39 HB1 ALA 39 31.732 -6.032 -3.473
321 HB2 ALA 39 HB2 ALA 39 33.366 -6.675 -3.325
322 HB3 ALA 39 HB3 ALA 39 33.110 -5.068 -4.004
323 H ALA 40 H ALA 40 33.892 -4.545 0.373
324 HA ALA 40 HA ALA 40 36.018 -4.830 1.312
325 HB1 ALA 40 HB1 ALA 40 36.454 -6.483 -0.683
326 HB2 ALA 40 HB2 ALA 40 37.815 -5.778 0.184
327 HB3 ALA 40 HB3 ALA 40 37.329 -5.119 -1.377
328 H TYR 41 H TYR 41 34.927 -2.578 1.154
329 HA TYR 41 HA TYR 41 35.124 -0.250 0.766
330 HB2 TYR 41 HB3 TYR 41 36.602 -0.732 2.684
331 HB3 TYR 41 HB2 TYR 41 37.950 -0.984 1.576
332 HD1 TYR 41 HD1 TYR 41 35.343 1.554 2.492
333 HD2 TYR 41 HD2 TYR 41 39.284 0.848 0.933
334 HE1 TYR 41 HE1 TYR 41 35.777 3.995 2.477
335 HE2 TYR 41 HE2 TYR 41 39.716 3.288 0.919
336 HH TYR 41 HH TYR 41 38.223 5.417 0.789
337 H ARG 42 H ARG 42 35.759 -1.998 -1.634
338 HA ARG 42 HA ARG 42 37.912 -1.068 -3.115
339 HB2 ARG 42 HB3 ARG 42 35.149 -1.953 -3.949
340 HB3 ARG 42 HB2 ARG 42 36.205 -1.234 -5.153
341 HG2 ARG 42 HG3 ARG 42 37.915 -2.907 -4.763
342 HG3 ARG 42 HG2 ARG 42 37.011 -3.588 -3.413
343 HD2 ARG 42 HD3 ARG 42 35.248 -4.336 -4.855
344 HD3 ARG 42 HD2 ARG 42 35.893 -3.424 -6.217
345 HE ARG 42 HE ARG 42 36.728 -6.027 -5.373
346 HH11 ARG 42 HH11 ARG 42 38.484 -6.948 -6.475
347 HH12 ARG 42 HH12 ARG 42 39.519 -5.947 -7.435
348 HH21 ARG 42 HH21 ARG 42 37.782 -3.028 -6.741
349 HH22 ARG 42 HH22 ARG 42 39.121 -3.728 -7.588
350 HA PRO 43 HA PRO 43 37.713 3.288 -3.881
351 HB2 PRO 43 HB3 PRO 43 37.188 2.511 -6.747
352 HB3 PRO 43 HB2 PRO 43 38.254 3.780 -6.107
353 HG2 PRO 43 HG3 PRO 43 39.232 1.426 -6.878
354 HG3 PRO 43 HG2 PRO 43 39.882 2.273 -5.461
355 HD2 PRO 43 HD3 PRO 43 38.237 -0.199 -5.559
356 HD3 PRO 43 HD2 PRO 43 39.316 0.386 -4.274
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -43.461 4.927 -2.516
2 H2 GLY 1 H2 GLY 1 -42.998 4.649 -4.127
3 H3 GLY 1 H3 GLY 1 -41.828 5.045 -2.961
4 HA2 GLY 1 HA2 GLY 1 -41.631 2.958 -2.245
5 HA3 GLY 1 HA1 GLY 1 -43.379 2.725 -2.267
6 H THR 2 H THR 2 -43.726 0.945 -3.468
7 HA THR 2 HA THR 2 -43.823 -0.443 -5.297
8 HB THR 2 HB THR 2 -43.915 0.541 -7.409
9 HG1 THR 2 HG1 THR 2 -42.404 2.777 -6.853
10 HG21 THR 2 HG21 THR 2 -44.106 3.135 -5.917
11 HG22 THR 2 HG22 THR 2 -45.229 1.842 -5.493
12 HG23 THR 2 HG23 THR 2 -45.186 2.469 -7.141
13 H ASN 3 H ASN 3 -42.491 -2.015 -6.096
14 HA ASN 3 HA ASN 3 -39.596 -1.630 -5.699
15 HB2 ASN 3 HB3 ASN 3 -40.957 -4.215 -6.476
16 HB3 ASN 3 HB2 ASN 3 -39.426 -3.985 -5.630
17 HD21 ASN 3 HD21 ASN 3 -39.511 -3.606 -3.295
18 HD22 ASN 3 HD22 ASN 3 -40.967 -3.708 -2.430
19 H SER 4 H SER 4 -39.309 -3.944 -7.732
20 HA SER 4 HA SER 4 -38.922 -4.192 -9.997
21 HB2 SER 4 HB3 SER 4 -40.375 -3.202 -11.499
22 HB3 SER 4 HB2 SER 4 -41.300 -3.010 -10.014
23 HG SER 4 HG SER 4 -39.728 -0.955 -10.081
24 H ARG 5 H ARG 5 -36.900 -3.215 -8.611
25 HA ARG 5 HA ARG 5 -35.833 -0.721 -9.137
26 HB2 ARG 5 HB3 ARG 5 -34.451 -3.395 -8.826
27 HB3 ARG 5 HB2 ARG 5 -33.587 -1.864 -8.905
28 HG2 ARG 5 HG3 ARG 5 -34.829 -1.044 -6.944
29 HG3 ARG 5 HG2 ARG 5 -35.712 -2.566 -6.857
30 HD2 ARG 5 HD3 ARG 5 -33.571 -3.776 -6.553
31 HD3 ARG 5 HD2 ARG 5 -32.711 -2.239 -6.590
32 HE ARG 5 HE ARG 5 -34.184 -3.323 -4.367
33 HH11 ARG 5 HH11 ARG 5 -34.240 -2.044 -2.490
34 HH12 ARG 5 HH12 ARG 5 -33.813 -0.367 -2.577
35 HH21 ARG 5 HH21 ARG 5 -33.162 -0.437 -5.982
36 HH22 ARG 5 HH22 ARG 5 -33.204 0.542 -4.553
37 H ARG 6 H ARG 6 -33.403 -1.096 -10.490
38 HA ARG 6 HA ARG 6 -33.772 -2.210 -13.092
39 HB2 ARG 6 HB3 ARG 6 -33.692 0.167 -14.209
40 HB3 ARG 6 HB2 ARG 6 -35.237 -0.491 -13.678
41 HG2 ARG 6 HG3 ARG 6 -34.921 1.873 -12.981
42 HG3 ARG 6 HG2 ARG 6 -35.128 0.800 -11.605
43 HD2 ARG 6 HD3 ARG 6 -32.387 1.536 -12.645
44 HD3 ARG 6 HD2 ARG 6 -33.231 2.552 -11.491
45 HE ARG 6 HE ARG 6 -32.602 -0.312 -10.933
46 HH11 ARG 6 HH11 ARG 6 -31.872 -0.705 -8.857
47 HH12 ARG 6 HH12 ARG 6 -31.636 0.599 -7.741
48 HH21 ARG 6 HH21 ARG 6 -32.630 3.060 -9.963
49 HH22 ARG 6 HH22 ARG 6 -32.063 2.717 -8.367
50 H ASN 7 H ASN 7 -31.805 -1.983 -10.914
51 HA ASN 7 HA ASN 7 -29.490 -2.189 -10.930
52 HB2 ASN 7 HB3 ASN 7 -28.244 -1.979 -12.843
53 HB3 ASN 7 HB2 ASN 7 -29.825 -2.049 -13.602
54 HD21 ASN 7 HD21 ASN 7 -30.136 -0.287 -15.143
55 HD22 ASN 7 HD22 ASN 7 -29.354 1.213 -15.015
56 H ARG 8 H ARG 8 -28.062 -0.956 -9.808
57 HA ARG 8 HA ARG 8 -28.770 1.256 -8.421
58 HB2 ARG 8 HB3 ARG 8 -26.123 0.167 -9.242
59 HB3 ARG 8 HB2 ARG 8 -26.100 1.865 -8.794
60 HG2 ARG 8 HG3 ARG 8 -25.664 0.372 -6.856
61 HG3 ARG 8 HG2 ARG 8 -27.095 1.371 -6.635
62 HD2 ARG 8 HD3 ARG 8 -28.553 -0.435 -6.830
63 HD3 ARG 8 HD2 ARG 8 -27.434 -1.368 -7.823
64 HE ARG 8 HE ARG 8 -26.681 -2.316 -5.861
65 HH11 ARG 8 HH11 ARG 8 -26.206 -2.381 -3.644
66 HH12 ARG 8 HH12 ARG 8 -26.616 -1.036 -2.633
67 HH21 ARG 8 HH21 ARG 8 -27.980 0.832 -5.211
68 HH22 ARG 8 HH22 ARG 8 -27.611 0.781 -3.520
69 H LEU 9 H LEU 9 -26.352 1.955 -10.921
70 HA LEU 9 HA LEU 9 -28.081 3.888 -12.227
71 HB2 LEU 9 HB3 LEU 9 -26.399 4.677 -10.023
72 HB3 LEU 9 HB2 LEU 9 -25.739 5.415 -11.470
73 HG LEU 9 HG LEU 9 -28.676 5.583 -10.759
74 HD11 LEU 9 HD11 LEU 9 -26.380 7.420 -10.031
75 HD12 LEU 9 HD12 LEU 9 -27.515 6.638 -8.932
76 HD13 LEU 9 HD13 LEU 9 -28.067 7.927 -10.002
77 HD21 LEU 9 HD21 LEU 9 -28.744 7.303 -12.411
78 HD22 LEU 9 HD22 LEU 9 -27.785 6.017 -13.139
79 HD23 LEU 9 HD23 LEU 9 -26.986 7.432 -12.459
80 H LEU 10 H LEU 10 -27.355 1.964 -13.640
81 HA LEU 10 HA LEU 10 -25.745 0.969 -15.091
82 HB2 LEU 10 HB3 LEU 10 -25.645 2.481 -17.139
83 HB3 LEU 10 HB2 LEU 10 -27.239 1.980 -16.587
84 HG LEU 10 HG LEU 10 -26.190 4.545 -15.443
85 HD11 LEU 10 HD11 LEU 10 -25.532 4.872 -17.749
86 HD12 LEU 10 HD12 LEU 10 -27.006 5.797 -17.466
87 HD13 LEU 10 HD13 LEU 10 -27.083 4.261 -18.327
88 HD21 LEU 10 HD21 LEU 10 -28.493 3.487 -15.015
89 HD22 LEU 10 HD22 LEU 10 -28.888 3.932 -16.672
90 HD23 LEU 10 HD23 LEU 10 -28.492 5.182 -15.495
91 H GLN 11 H GLN 11 -23.686 0.644 -14.675
92 HA GLN 11 HA GLN 11 -21.403 0.978 -14.746
93 HB2 GLN 11 HB3 GLN 11 -20.686 2.398 -16.364
94 HB3 GLN 11 HB2 GLN 11 -22.340 2.946 -16.558
95 HG2 GLN 11 HG3 GLN 11 -21.916 4.664 -14.764
96 HG3 GLN 11 HG2 GLN 11 -20.234 4.151 -14.735
97 HE21 GLN 11 HE21 GLN 11 -21.510 6.787 -15.624
98 HE22 GLN 11 HE22 GLN 11 -20.916 7.027 -17.196
99 H SER 12 H SER 12 -19.902 1.676 -13.281
100 HA SER 12 HA SER 12 -19.174 2.426 -11.203
101 HB2 SER 12 HB3 SER 12 -19.542 4.682 -10.698
102 HB3 SER 12 HB2 SER 12 -19.725 4.641 -12.448
103 HG SER 12 HG SER 12 -21.429 5.768 -11.397
104 H ASP 13 H ASP 13 -19.991 0.756 -9.895
105 HA ASP 13 HA ASP 13 -22.754 0.695 -9.097
106 HB2 ASP 13 HB3 ASP 13 -21.989 -1.146 -7.602
107 HB3 ASP 13 HB2 ASP 13 -21.518 -1.383 -9.286
108 H TYR 14 H TYR 14 -23.367 0.680 -6.750
109 HA TYR 14 HA TYR 14 -22.673 3.115 -5.560
110 HB2 TYR 14 HB3 TYR 14 -24.853 1.978 -5.278
111 HB3 TYR 14 HB2 TYR 14 -24.054 0.733 -4.322
112 HD1 TYR 14 HD1 TYR 14 -25.252 4.191 -4.393
113 HD2 TYR 14 HD2 TYR 14 -23.121 1.250 -2.106
114 HE1 TYR 14 HE1 TYR 14 -25.461 5.614 -2.372
115 HE2 TYR 14 HE2 TYR 14 -23.327 2.669 -0.080
116 HH TYR 14 HH TYR 14 -24.406 5.940 -0.240
117 H MET 15 H MET 15 -20.891 0.343 -5.642
118 HA MET 15 HA MET 15 -19.564 -0.675 -3.873
119 HB2 MET 15 HB3 MET 15 -18.277 0.185 -5.759
120 HB3 MET 15 HB2 MET 15 -18.225 1.778 -5.017
121 HG2 MET 15 HG3 MET 15 -16.119 0.505 -4.663
122 HG3 MET 15 HG2 MET 15 -16.912 0.888 -3.144
123 HE1 MET 15 HE1 MET 15 -15.896 -0.760 -1.651
124 HE2 MET 15 HE2 MET 15 -16.731 -2.295 -1.414
125 HE3 MET 15 HE3 MET 15 -17.652 -0.791 -1.420
126 H ASN 16 H ASN 16 -20.825 -0.215 -1.975
127 HA ASN 16 HA ASN 16 -21.138 1.830 -0.333
128 HB2 ASN 16 HB3 ASN 16 -21.602 -0.498 0.388
129 HB3 ASN 16 HB2 ASN 16 -19.879 -0.733 0.693
130 HD21 ASN 16 HD21 ASN 16 -21.056 2.458 1.370
131 HD22 ASN 16 HD22 ASN 16 -21.143 2.291 3.058
132 H MET 17 H MET 17 -20.089 3.277 0.858
133 HA MET 17 HA MET 17 -18.328 4.344 1.987
134 HB2 MET 17 HB3 MET 17 -16.331 2.492 0.664
135 HB3 MET 17 HB2 MET 17 -16.086 3.551 2.034
136 HG2 MET 17 HG3 MET 17 -16.654 1.879 3.461
137 HG3 MET 17 HG2 MET 17 -18.247 1.768 2.722
138 HE1 MET 17 HE1 MET 17 -18.494 -0.450 3.335
139 HE2 MET 17 HE2 MET 17 -16.937 -1.079 3.865
140 HE3 MET 17 HE3 MET 17 -17.798 -1.872 2.550
141 H THR 18 H THR 18 -17.129 3.194 -1.172
142 HA THR 18 HA THR 18 -17.681 5.538 -2.550
143 HB THR 18 HB THR 18 -15.565 5.978 -0.758
144 HG1 THR 18 HG1 THR 18 -15.935 7.916 -1.445
145 HG21 THR 18 HG21 THR 18 -13.623 6.448 -2.131
146 HG22 THR 18 HG22 THR 18 -14.462 5.905 -3.582
147 HG23 THR 18 HG23 THR 18 -14.046 4.749 -2.317
148 HA PRO 19 HA PRO 19 -16.561 2.972 -6.027
149 HB2 PRO 19 HB3 PRO 19 -14.947 5.208 -7.175
150 HB3 PRO 19 HB2 PRO 19 -16.285 4.296 -7.901
151 HG2 PRO 19 HG3 PRO 19 -16.551 6.828 -6.978
152 HG3 PRO 19 HG2 PRO 19 -17.879 5.656 -6.991
153 HD2 PRO 19 HD3 PRO 19 -16.339 6.705 -4.678
154 HD3 PRO 19 HD2 PRO 19 -17.962 5.988 -4.736
155 H ARG 20 H ARG 20 -14.928 1.589 -6.577
156 HA ARG 20 HA ARG 20 -12.869 0.882 -5.052
157 HB2 ARG 20 HB3 ARG 20 -11.746 -0.112 -6.945
158 HB3 ARG 20 HB2 ARG 20 -13.483 -0.230 -7.203
159 HG2 ARG 20 HG3 ARG 20 -13.382 1.799 -8.662
160 HG3 ARG 20 HG2 ARG 20 -11.639 1.853 -8.428
161 HD2 ARG 20 HD3 ARG 20 -11.258 0.082 -9.841
162 HD3 ARG 20 HD2 ARG 20 -12.730 -0.758 -9.362
163 HE ARG 20 HE ARG 20 -13.674 0.138 -11.256
164 HH11 ARG 20 HH11 ARG 20 -14.110 1.757 -12.774
165 HH12 ARG 20 HH12 ARG 20 -13.194 3.227 -12.758
166 HH21 ARG 20 HH21 ARG 20 -11.215 2.272 -10.077
167 HH22 ARG 20 HH22 ARG 20 -11.555 3.516 -11.229
168 H ARG 21 H ARG 21 -10.672 1.295 -4.778
169 HA ARG 21 HA ARG 21 -9.973 4.071 -5.006
170 HB2 ARG 21 HB3 ARG 21 -7.682 3.016 -4.099
171 HB3 ARG 21 HB2 ARG 21 -9.078 3.247 -3.046
172 HG2 ARG 21 HG3 ARG 21 -8.078 0.976 -2.830
173 HG3 ARG 21 HG2 ARG 21 -9.757 0.926 -3.356
174 HD2 ARG 21 HD3 ARG 21 -9.172 0.346 -5.562
175 HD3 ARG 21 HD2 ARG 21 -7.522 0.932 -5.380
176 HE ARG 21 HE ARG 21 -8.465 -1.693 -4.762
177 HH11 ARG 21 HH11 ARG 21 -7.000 -3.120 -3.771
178 HH12 ARG 21 HH12 ARG 21 -5.572 -2.497 -3.012
179 HH21 ARG 21 HH21 ARG 21 -6.292 0.809 -3.751
180 HH22 ARG 21 HH22 ARG 21 -5.173 -0.280 -3.000
181 HA PRO 22 HA PRO 22 -7.734 3.785 -8.821
182 HB2 PRO 22 HB3 PRO 22 -6.001 5.848 -8.621
183 HB3 PRO 22 HB2 PRO 22 -7.754 6.122 -8.704
184 HG2 PRO 22 HG3 PRO 22 -5.980 6.042 -6.297
185 HG3 PRO 22 HG2 PRO 22 -7.211 7.241 -6.736
186 HD2 PRO 22 HD3 PRO 22 -7.721 5.222 -4.971
187 HD3 PRO 22 HD2 PRO 22 -8.971 5.881 -6.050
188 H GLY 23 H GLY 23 -6.367 2.123 -9.204
189 HA2 GLY 23 HA2 GLY 23 -4.536 0.945 -7.540
190 HA3 GLY 23 HA1 GLY 23 -4.358 0.937 -9.293
191 H LEU 24 H LEU 24 -3.011 1.939 -6.381
192 HA LEU 24 HA LEU 24 -0.879 3.382 -7.771
193 HB2 LEU 24 HB3 LEU 24 -2.732 5.022 -6.934
194 HB3 LEU 24 HB2 LEU 24 -2.102 4.664 -5.328
195 HG LEU 24 HG LEU 24 0.242 5.204 -6.484
196 HD11 LEU 24 HD11 LEU 24 0.162 6.758 -8.275
197 HD12 LEU 24 HD12 LEU 24 -1.568 7.031 -8.072
198 HD13 LEU 24 HD13 LEU 24 -0.990 5.506 -8.736
199 HD21 LEU 24 HD21 LEU 24 -0.568 6.481 -4.605
200 HD22 LEU 24 HD22 LEU 24 -1.810 7.250 -5.591
201 HD23 LEU 24 HD23 LEU 24 -0.111 7.634 -5.857
202 H THR 25 H THR 25 -1.318 0.833 -6.261
203 HA THR 25 HA THR 25 0.465 1.220 -3.930
204 HB THR 25 HB THR 25 -0.112 -1.261 -3.543
205 HG1 THR 25 HG1 THR 25 -1.815 -0.558 -5.666
206 HG21 THR 25 HG21 THR 25 -2.538 -0.647 -2.829
207 HG22 THR 25 HG22 THR 25 -2.128 0.985 -3.349
208 HG23 THR 25 HG23 THR 25 -1.204 0.207 -2.062
209 H ARG 26 H ARG 26 0.165 -1.127 -6.606
210 HA ARG 26 HA ARG 26 2.490 -2.490 -6.472
211 HB2 ARG 26 HB3 ARG 26 2.558 -2.338 -9.058
212 HB3 ARG 26 HB2 ARG 26 1.107 -3.015 -8.321
213 HG2 ARG 26 HG3 ARG 26 -0.008 -0.821 -8.481
214 HG3 ARG 26 HG2 ARG 26 1.448 -0.127 -9.194
215 HD2 ARG 26 HD3 ARG 26 -0.129 -2.426 -10.385
216 HD3 ARG 26 HD2 ARG 26 -0.259 -0.748 -10.901
217 HE ARG 26 HE ARG 26 1.929 -2.572 -11.473
218 HH11 ARG 26 HH11 ARG 26 3.494 -1.766 -12.904
219 HH12 ARG 26 HH12 ARG 26 3.532 -0.075 -13.278
220 HH21 ARG 26 HH21 ARG 26 0.837 0.706 -11.240
221 HH22 ARG 26 HH22 ARG 26 2.027 1.325 -12.334
222 H LYS 27 H LYS 27 4.645 -2.141 -6.665
223 HA LYS 27 HA LYS 27 5.967 0.099 -6.166
224 HB2 LYS 27 HB3 LYS 27 7.011 -2.159 -6.636
225 HB3 LYS 27 HB2 LYS 27 6.965 -1.731 -8.347
226 HG2 LYS 27 HG3 LYS 27 8.293 0.308 -7.861
227 HG3 LYS 27 HG2 LYS 27 8.358 -0.158 -6.164
228 HD2 LYS 27 HD3 LYS 27 10.385 -1.030 -6.902
229 HD3 LYS 27 HD2 LYS 27 9.340 -2.429 -7.145
230 HE2 LYS 27 HE3 LYS 27 10.528 -2.223 -9.187
231 HE3 LYS 27 HE2 LYS 27 8.963 -1.482 -9.527
232 HZ1 LYS 27 HZ1 LYS 27 9.840 0.640 -9.382
233 HZ2 LYS 27 HZ2 LYS 27 11.067 -0.219 -10.181
234 HZ3 LYS 27 HZ3 LYS 27 11.216 0.135 -8.527
235 HA PRO 28 HA PRO 28 4.901 2.712 -9.665
236 HB2 PRO 28 HB3 PRO 28 6.191 4.979 -9.010
237 HB3 PRO 28 HB2 PRO 28 4.809 4.398 -8.057
238 HG2 PRO 28 HG3 PRO 28 7.736 4.083 -7.510
239 HG3 PRO 28 HG2 PRO 28 6.442 4.597 -6.410
240 HD2 PRO 28 HD3 PRO 28 7.380 2.020 -6.479
241 HD3 PRO 28 HD2 PRO 28 5.701 2.421 -6.048
242 H TYR 29 H TYR 29 6.892 0.805 -10.147
243 HA TYR 29 HA TYR 29 8.734 0.287 -11.445
244 HB2 TYR 29 HB3 TYR 29 8.732 1.470 -13.637
245 HB3 TYR 29 HB2 TYR 29 7.145 0.869 -13.161
246 HD1 TYR 29 HD1 TYR 29 9.272 3.905 -13.393
247 HD2 TYR 29 HD2 TYR 29 5.329 2.357 -12.680
248 HE1 TYR 29 HE1 TYR 29 8.351 6.205 -13.496
249 HE2 TYR 29 HE2 TYR 29 4.407 4.658 -12.783
250 HH TYR 29 HH TYR 29 5.989 7.275 -12.332
251 H GLN 30 H GLN 30 10.762 0.492 -11.263
252 HA GLN 30 HA GLN 30 12.848 1.612 -11.657
253 HB2 GLN 30 HB3 GLN 30 13.251 3.873 -11.245
254 HB3 GLN 30 HB2 GLN 30 11.667 3.828 -11.994
255 HG2 GLN 30 HG3 GLN 30 10.929 3.748 -9.365
256 HG3 GLN 30 HG2 GLN 30 12.458 4.591 -9.209
257 HE21 GLN 30 HE21 GLN 30 10.769 6.365 -8.499
258 HE22 GLN 30 HE22 GLN 30 10.204 7.376 -9.739
259 HA PRO 31 HA PRO 31 12.896 -0.300 -7.452
260 HB2 PRO 31 HB3 PRO 31 15.501 -1.227 -8.599
261 HB3 PRO 31 HB2 PRO 31 14.284 -2.142 -7.687
262 HG2 PRO 31 HG3 PRO 31 14.510 -2.433 -10.313
263 HG3 PRO 31 HG2 PRO 31 12.916 -2.416 -9.535
264 HD2 PRO 31 HD3 PRO 31 14.258 -0.260 -11.132
265 HD3 PRO 31 HD2 PRO 31 12.538 -0.702 -11.055
266 H TYR 32 H TYR 32 15.645 1.205 -9.104
267 HA TYR 32 HA TYR 32 17.444 2.437 -8.249
268 HB2 TYR 32 HB3 TYR 32 16.259 4.383 -8.451
269 HB3 TYR 32 HB2 TYR 32 14.848 3.709 -7.648
270 HD1 TYR 32 HD1 TYR 32 18.286 5.036 -6.967
271 HD2 TYR 32 HD2 TYR 32 14.344 4.303 -5.417
272 HE1 TYR 32 HE1 TYR 32 18.866 6.269 -4.894
273 HE2 TYR 32 HE2 TYR 32 14.928 5.539 -3.348
274 HH TYR 32 HH TYR 32 16.494 7.181 -2.568
275 H ALA 33 H ALA 33 18.781 1.325 -6.917
276 HA ALA 33 HA ALA 33 18.444 1.724 -4.051
277 HB1 ALA 33 HB1 ALA 33 18.516 -0.586 -3.429
278 HB2 ALA 33 HB2 ALA 33 18.684 -1.091 -5.111
279 HB3 ALA 33 HB3 ALA 33 17.173 -0.373 -4.552
280 HA PRO 34 HA PRO 34 22.834 1.861 -5.689
281 HB2 PRO 34 HB3 PRO 34 22.971 3.771 -3.380
282 HB3 PRO 34 HB2 PRO 34 23.651 3.929 -5.013
283 HG2 PRO 34 HG3 PRO 34 21.481 5.295 -4.289
284 HG3 PRO 34 HG2 PRO 34 21.645 4.628 -5.923
285 HD2 PRO 34 HD3 PRO 34 19.971 3.637 -3.644
286 HD3 PRO 34 HD2 PRO 34 19.628 3.610 -5.391
287 H ALA 35 H ALA 35 23.589 -0.079 -5.035
288 HA ALA 35 HA ALA 35 23.523 -0.839 -2.206
289 HB1 ALA 35 HB1 ALA 35 22.944 -2.606 -3.737
290 HB2 ALA 35 HB2 ALA 35 24.498 -3.003 -3.010
291 HB3 ALA 35 HB3 ALA 35 24.435 -2.385 -4.655
292 H ARG 36 H ARG 36 26.131 -1.027 -4.644
293 HA ARG 36 HA ARG 36 28.442 -0.978 -4.295
294 HB2 ARG 36 HB3 ARG 36 27.911 1.329 -4.766
295 HB3 ARG 36 HB2 ARG 36 27.443 1.611 -3.092
296 HG2 ARG 36 HG3 ARG 36 29.724 2.467 -3.606
297 HG3 ARG 36 HG2 ARG 36 29.744 1.238 -2.346
298 HD2 ARG 36 HD3 ARG 36 31.470 1.078 -4.309
299 HD3 ARG 36 HD2 ARG 36 30.657 -0.387 -3.764
300 HE ARG 36 HE ARG 36 29.598 -0.487 -5.822
301 HH11 ARG 36 HH11 ARG 36 29.143 0.265 -7.915
302 HH12 ARG 36 HH12 ARG 36 29.533 1.895 -8.346
303 HH21 ARG 36 HH21 ARG 36 30.842 2.686 -5.232
304 HH22 ARG 36 HH22 ARG 36 30.496 3.269 -6.826
305 H ASP 37 H ASP 37 29.047 -2.594 -2.915
306 HA ASP 37 HA ASP 37 28.556 -2.733 -0.163
307 HB2 ASP 37 HB3 ASP 37 30.372 -4.359 -0.075
308 HB3 ASP 37 HB2 ASP 37 29.383 -4.636 -1.508
309 H PHE 38 H PHE 38 30.259 -2.613 1.571
310 HA PHE 38 HA PHE 38 32.389 -0.672 1.162
311 HB2 PHE 38 HB3 PHE 38 30.093 0.520 1.649
312 HB3 PHE 38 HB2 PHE 38 30.371 -0.009 3.304
313 HD1 PHE 38 HD1 PHE 38 31.482 2.226 0.607
314 HD2 PHE 38 HD2 PHE 38 32.300 0.851 4.601
315 HE1 PHE 38 HE1 PHE 38 33.028 4.130 0.952
316 HE2 PHE 38 HE2 PHE 38 33.848 2.753 4.935
317 HZ PHE 38 HZ PHE 38 34.212 4.394 3.113
318 H ALA 39 H ALA 39 31.302 -3.436 2.506
319 HA ALA 39 HA ALA 39 32.220 -3.335 5.174
320 HB1 ALA 39 HB1 ALA 39 30.864 -5.205 4.659
321 HB2 ALA 39 HB2 ALA 39 32.467 -5.867 4.962
322 HB3 ALA 39 HB3 ALA 39 31.888 -5.697 3.307
323 H ALA 40 H ALA 40 33.993 -3.808 2.174
324 HA ALA 40 HA ALA 40 36.471 -4.291 3.730
325 HB1 ALA 40 HB1 ALA 40 36.139 -5.922 1.958
326 HB2 ALA 40 HB2 ALA 40 37.485 -4.867 1.530
327 HB3 ALA 40 HB3 ALA 40 35.914 -4.639 0.768
328 H TYR 41 H TYR 41 34.916 -2.160 1.443
329 HA TYR 41 HA TYR 41 35.663 -0.134 0.462
330 HB2 TYR 41 HB3 TYR 41 34.669 0.541 2.574
331 HB3 TYR 41 HB2 TYR 41 36.181 0.215 3.421
332 HD1 TYR 41 HD1 TYR 41 34.930 2.175 0.465
333 HD2 TYR 41 HD2 TYR 41 37.621 2.016 3.812
334 HE1 TYR 41 HE1 TYR 41 35.701 4.476 -0.045
335 HE2 TYR 41 HE2 TYR 41 38.392 4.315 3.299
336 HH TYR 41 HH TYR 41 38.073 6.126 2.037
337 H ARG 42 H ARG 42 37.529 -1.549 -0.403
338 HA ARG 42 HA ARG 42 40.056 -1.798 0.396
339 HB2 ARG 42 HB3 ARG 42 40.870 -1.562 -1.836
340 HB3 ARG 42 HB2 ARG 42 39.235 -2.203 -1.971
341 HG2 ARG 42 HG3 ARG 42 38.560 0.356 -2.137
342 HG3 ARG 42 HG2 ARG 42 40.252 0.571 -2.580
343 HD2 ARG 42 HD3 ARG 42 38.092 -0.920 -4.037
344 HD3 ARG 42 HD2 ARG 42 39.277 0.219 -4.668
345 HE ARG 42 HE ARG 42 39.608 -2.605 -4.456
346 HH11 ARG 42 HH11 ARG 42 41.658 -3.460 -4.931
347 HH12 ARG 42 HH12 ARG 42 43.044 -2.421 -4.939
348 HH21 ARG 42 HH21 ARG 42 41.243 0.428 -4.120
349 HH22 ARG 42 HH22 ARG 42 42.807 -0.218 -4.479
350 HA PRO 43 HA PRO 43 41.700 2.059 2.029
351 HB2 PRO 43 HB3 PRO 43 44.047 1.276 0.309
352 HB3 PRO 43 HB2 PRO 43 44.038 1.929 1.962
353 HG2 PRO 43 HG3 PRO 43 44.366 -0.670 1.532
354 HG3 PRO 43 HG2 PRO 43 43.398 -0.088 2.898
355 HD2 PRO 43 HD3 PRO 43 42.485 -1.404 0.389
356 HD3 PRO 43 HD2 PRO 43 41.691 -1.325 1.978
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -36.938 -0.274 7.493
2 H2 GLY 1 H2 GLY 1 -37.891 -0.680 6.146
3 H3 GLY 1 H3 GLY 1 -36.369 0.039 5.927
4 HA2 GLY 1 HA2 GLY 1 -35.215 -1.868 6.546
5 HA3 GLY 1 HA1 GLY 1 -36.651 -2.562 7.298
6 H THR 2 H THR 2 -37.267 -4.292 6.147
7 HA THR 2 HA THR 2 -37.975 -5.591 4.386
8 HB THR 2 HB THR 2 -39.174 -4.549 2.678
9 HG1 THR 2 HG1 THR 2 -37.856 -2.111 2.823
10 HG21 THR 2 HG21 THR 2 -39.060 -2.094 4.389
11 HG22 THR 2 HG22 THR 2 -39.617 -3.591 5.137
12 HG23 THR 2 HG23 THR 2 -40.464 -2.936 3.737
13 H ASN 3 H ASN 3 -36.981 -6.807 2.792
14 HA ASN 3 HA ASN 3 -34.255 -6.007 2.082
15 HB2 ASN 3 HB3 ASN 3 -35.677 -8.535 1.211
16 HB3 ASN 3 HB2 ASN 3 -33.944 -8.255 1.388
17 HD21 ASN 3 HD21 ASN 3 -33.013 -8.447 3.548
18 HD22 ASN 3 HD22 ASN 3 -33.937 -8.963 4.875
19 H SER 4 H SER 4 -34.620 -7.671 -0.482
20 HA SER 4 HA SER 4 -34.962 -7.210 -2.719
21 HB2 SER 4 HB3 SER 4 -37.083 -6.416 -3.341
22 HB3 SER 4 HB2 SER 4 -37.371 -7.159 -1.771
23 HG SER 4 HG SER 4 -36.600 -4.629 -1.415
24 H ARG 5 H ARG 5 -32.895 -6.006 -2.281
25 HA ARG 5 HA ARG 5 -32.692 -3.275 -1.867
26 HB2 ARG 5 HB3 ARG 5 -31.021 -5.065 -3.644
27 HB3 ARG 5 HB2 ARG 5 -30.589 -3.403 -3.246
28 HG2 ARG 5 HG3 ARG 5 -30.602 -3.970 -0.841
29 HG3 ARG 5 HG2 ARG 5 -31.026 -5.635 -1.231
30 HD2 ARG 5 HD3 ARG 5 -28.930 -5.766 -2.619
31 HD3 ARG 5 HD2 ARG 5 -28.489 -4.175 -2.005
32 HE ARG 5 HE ARG 5 -28.315 -6.675 -0.581
33 HH11 ARG 5 HH11 ARG 5 -27.482 -6.564 1.524
34 HH12 ARG 5 HH12 ARG 5 -27.403 -5.039 2.342
35 HH21 ARG 5 HH21 ARG 5 -28.762 -3.252 -0.299
36 HH22 ARG 5 HH22 ARG 5 -28.128 -3.167 1.310
37 H ARG 6 H ARG 6 -33.204 -4.952 -5.002
38 HA ARG 6 HA ARG 6 -33.856 -4.146 -7.052
39 HB2 ARG 6 HB3 ARG 6 -35.962 -3.929 -5.923
40 HB3 ARG 6 HB2 ARG 6 -35.453 -2.441 -5.129
41 HG2 ARG 6 HG3 ARG 6 -35.455 -1.235 -7.215
42 HG3 ARG 6 HG2 ARG 6 -35.691 -2.719 -8.138
43 HD2 ARG 6 HD3 ARG 6 -37.720 -1.002 -7.160
44 HD3 ARG 6 HD2 ARG 6 -37.947 -2.584 -7.890
45 HE ARG 6 HE ARG 6 -38.263 -3.493 -5.752
46 HH11 ARG 6 HH11 ARG 6 -38.745 -3.236 -3.546
47 HH12 ARG 6 HH12 ARG 6 -38.424 -1.724 -2.763
48 HH21 ARG 6 HH21 ARG 6 -37.162 -0.212 -5.620
49 HH22 ARG 6 HH22 ARG 6 -37.529 -0.011 -3.939
50 H ASN 7 H ASN 7 -32.170 -3.234 -8.133
51 HA ASN 7 HA ASN 7 -30.795 -1.605 -9.006
52 HB2 ASN 7 HB3 ASN 7 -32.899 -0.485 -9.546
53 HB3 ASN 7 HB2 ASN 7 -32.948 0.236 -7.937
54 HD21 ASN 7 HD21 ASN 7 -32.946 2.287 -9.567
55 HD22 ASN 7 HD22 ASN 7 -31.404 2.907 -9.896
56 H ARG 8 H ARG 8 -29.075 -1.994 -7.662
57 HA ARG 8 HA ARG 8 -28.818 -1.061 -5.007
58 HB2 ARG 8 HB3 ARG 8 -27.356 -2.805 -6.279
59 HB3 ARG 8 HB2 ARG 8 -26.445 -1.407 -6.842
60 HG2 ARG 8 HG3 ARG 8 -25.360 -2.198 -4.849
61 HG3 ARG 8 HG2 ARG 8 -26.193 -0.704 -4.428
62 HD2 ARG 8 HD3 ARG 8 -27.659 -1.780 -3.017
63 HD3 ARG 8 HD2 ARG 8 -27.811 -3.184 -4.065
64 HE ARG 8 HE ARG 8 -26.093 -4.199 -2.876
65 HH11 ARG 8 HH11 ARG 8 -24.588 -4.272 -1.169
66 HH12 ARG 8 HH12 ARG 8 -24.141 -2.811 -0.354
67 HH21 ARG 8 HH21 ARG 8 -26.207 -0.792 -2.267
68 HH22 ARG 8 HH22 ARG 8 -25.056 -0.844 -0.975
69 H LEU 9 H LEU 9 -27.697 0.358 -8.091
70 HA LEU 9 HA LEU 9 -28.171 3.007 -7.360
71 HB2 LEU 9 HB3 LEU 9 -25.948 2.098 -5.942
72 HB3 LEU 9 HB2 LEU 9 -25.207 2.870 -7.331
73 HG LEU 9 HG LEU 9 -27.294 4.191 -5.562
74 HD11 LEU 9 HD11 LEU 9 -25.337 3.897 -4.224
75 HD12 LEU 9 HD12 LEU 9 -25.269 5.553 -4.826
76 HD13 LEU 9 HD13 LEU 9 -24.272 4.302 -5.569
77 HD21 LEU 9 HD21 LEU 9 -26.620 6.232 -6.733
78 HD22 LEU 9 HD22 LEU 9 -27.130 5.026 -7.916
79 HD23 LEU 9 HD23 LEU 9 -25.414 5.335 -7.656
80 H LEU 10 H LEU 10 -28.241 1.147 -9.616
81 HA LEU 10 HA LEU 10 -27.492 0.894 -11.825
82 HB2 LEU 10 HB3 LEU 10 -28.096 2.951 -13.134
83 HB3 LEU 10 HB2 LEU 10 -29.368 2.287 -12.112
84 HG LEU 10 HG LEU 10 -27.619 4.418 -10.915
85 HD11 LEU 10 HD11 LEU 10 -28.064 5.415 -13.072
86 HD12 LEU 10 HD12 LEU 10 -29.126 6.170 -11.883
87 HD13 LEU 10 HD13 LEU 10 -29.763 4.945 -12.979
88 HD21 LEU 10 HD21 LEU 10 -29.602 3.159 -9.805
89 HD22 LEU 10 HD22 LEU 10 -30.622 4.176 -10.819
90 HD23 LEU 10 HD23 LEU 10 -29.542 4.912 -9.635
91 H GLN 11 H GLN 11 -25.540 0.554 -12.511
92 HA GLN 11 HA GLN 11 -23.435 0.958 -13.352
93 HB2 GLN 11 HB3 GLN 11 -23.395 2.822 -14.642
94 HB3 GLN 11 HB2 GLN 11 -24.869 3.362 -13.860
95 HG2 GLN 11 HG3 GLN 11 -23.498 4.469 -12.095
96 HG3 GLN 11 HG2 GLN 11 -22.035 3.970 -12.947
97 HE21 GLN 11 HE21 GLN 11 -23.221 6.737 -12.447
98 HE22 GLN 11 HE22 GLN 11 -23.307 7.439 -13.991
99 H SER 12 H SER 12 -21.535 0.872 -12.435
100 HA SER 12 HA SER 12 -19.985 0.765 -10.698
101 HB2 SER 12 HB3 SER 12 -19.427 2.960 -9.746
102 HB3 SER 12 HB2 SER 12 -19.677 3.084 -11.485
103 HG SER 12 HG SER 12 -20.800 4.725 -10.383
104 H ASP 13 H ASP 13 -23.077 0.531 -10.096
105 HA ASP 13 HA ASP 13 -24.476 0.650 -8.201
106 HB2 ASP 13 HB3 ASP 13 -24.038 -1.300 -6.856
107 HB3 ASP 13 HB2 ASP 13 -23.610 -1.665 -8.524
108 H TYR 14 H TYR 14 -23.285 -0.249 -5.540
109 HA TYR 14 HA TYR 14 -22.786 2.446 -4.566
110 HB2 TYR 14 HB3 TYR 14 -24.352 1.227 -3.265
111 HB3 TYR 14 HB2 TYR 14 -23.349 -0.220 -3.275
112 HD1 TYR 14 HD1 TYR 14 -23.825 3.130 -1.771
113 HD2 TYR 14 HD2 TYR 14 -21.460 -0.452 -1.818
114 HE1 TYR 14 HE1 TYR 14 -22.738 3.823 0.344
115 HE2 TYR 14 HE2 TYR 14 -20.364 0.234 0.296
116 HH TYR 14 HH TYR 14 -20.806 3.421 1.635
117 H MET 15 H MET 15 -20.819 0.472 -6.059
118 HA MET 15 HA MET 15 -18.677 -0.488 -5.129
119 HB2 MET 15 HB3 MET 15 -18.492 0.371 -7.320
120 HB3 MET 15 HB2 MET 15 -18.659 2.031 -6.772
121 HG2 MET 15 HG3 MET 15 -16.265 1.099 -7.384
122 HG3 MET 15 HG2 MET 15 -16.463 2.150 -5.989
123 HE1 MET 15 HE1 MET 15 -15.601 -2.164 -6.500
124 HE2 MET 15 HE2 MET 15 -16.903 -1.261 -7.256
125 HE3 MET 15 HE3 MET 15 -17.215 -2.158 -5.771
126 H ASN 16 H ASN 16 -18.616 -0.354 -2.927
127 HA ASN 16 HA ASN 16 -18.381 1.787 -1.240
128 HB2 ASN 16 HB3 ASN 16 -18.320 -0.590 -0.477
129 HB3 ASN 16 HB2 ASN 16 -16.638 -0.680 -0.999
130 HD21 ASN 16 HD21 ASN 16 -18.231 2.118 0.574
131 HD22 ASN 16 HD22 ASN 16 -17.255 2.083 1.964
132 H MET 17 H MET 17 -16.565 2.787 -0.174
133 HA MET 17 HA MET 17 -14.556 3.939 -0.091
134 HB2 MET 17 HB3 MET 17 -13.636 2.396 -2.538
135 HB3 MET 17 HB2 MET 17 -12.650 3.317 -1.423
136 HG2 MET 17 HG3 MET 17 -12.265 1.232 -0.530
137 HG3 MET 17 HG2 MET 17 -13.756 1.568 0.340
138 HE1 MET 17 HE1 MET 17 -14.107 -1.014 0.730
139 HE2 MET 17 HE2 MET 17 -12.553 -1.214 -0.071
140 HE3 MET 17 HE3 MET 17 -13.918 -2.216 -0.551
141 H THR 18 H THR 18 -15.152 3.393 -3.556
142 HA THR 18 HA THR 18 -16.330 5.780 -4.192
143 HB THR 18 HB THR 18 -13.472 6.071 -3.570
144 HG1 THR 18 HG1 THR 18 -14.279 8.328 -3.683
145 HG21 THR 18 HG21 THR 18 -13.084 7.758 -5.394
146 HG22 THR 18 HG22 THR 18 -14.514 7.130 -6.209
147 HG23 THR 18 HG23 THR 18 -13.117 6.086 -5.950
148 HA PRO 19 HA PRO 19 -16.358 3.371 -8.005
149 HB2 PRO 19 HB3 PRO 19 -16.404 5.999 -9.445
150 HB3 PRO 19 HB2 PRO 19 -17.478 4.598 -9.627
151 HG2 PRO 19 HG3 PRO 19 -18.261 6.809 -8.345
152 HG3 PRO 19 HG2 PRO 19 -18.783 5.194 -7.832
153 HD2 PRO 19 HD3 PRO 19 -16.803 7.025 -6.547
154 HD3 PRO 19 HD2 PRO 19 -17.866 5.802 -5.817
155 H ARG 20 H ARG 20 -14.770 2.590 -9.322
156 HA ARG 20 HA ARG 20 -12.542 2.193 -9.791
157 HB2 ARG 20 HB3 ARG 20 -13.532 3.220 -11.802
158 HB3 ARG 20 HB2 ARG 20 -13.003 4.804 -11.235
159 HG2 ARG 20 HG3 ARG 20 -10.770 4.391 -11.689
160 HG3 ARG 20 HG2 ARG 20 -10.902 2.668 -11.338
161 HD2 ARG 20 HD3 ARG 20 -12.069 2.292 -13.424
162 HD3 ARG 20 HD2 ARG 20 -12.045 4.013 -13.790
163 HE ARG 20 HE ARG 20 -9.829 2.149 -14.049
164 HH11 ARG 20 HH11 ARG 20 -7.975 3.011 -15.038
165 HH12 ARG 20 HH12 ARG 20 -7.815 4.726 -15.218
166 HH21 ARG 20 HH21 ARG 20 -10.853 5.432 -13.699
167 HH22 ARG 20 HH22 ARG 20 -9.446 6.100 -14.457
168 H ARG 21 H ARG 21 -11.224 2.293 -8.091
169 HA ARG 21 HA ARG 21 -10.327 4.893 -7.079
170 HB2 ARG 21 HB3 ARG 21 -9.041 3.227 -5.446
171 HB3 ARG 21 HB2 ARG 21 -10.748 3.587 -5.220
172 HG2 ARG 21 HG3 ARG 21 -10.348 1.168 -5.079
173 HG3 ARG 21 HG2 ARG 21 -11.355 1.543 -6.473
174 HD2 ARG 21 HD3 ARG 21 -9.651 1.068 -7.992
175 HD3 ARG 21 HD2 ARG 21 -8.370 1.409 -6.829
176 HE ARG 21 HE ARG 21 -9.588 -1.125 -7.297
177 HH11 ARG 21 HH11 ARG 21 -9.036 -2.826 -5.909
178 HH12 ARG 21 HH12 ARG 21 -8.315 -2.488 -4.370
179 HH21 ARG 21 HH21 ARG 21 -8.345 0.953 -4.821
180 HH22 ARG 21 HH22 ARG 21 -7.924 -0.346 -3.754
181 HA PRO 22 HA PRO 22 -6.471 4.584 -9.250
182 HB2 PRO 22 HB3 PRO 22 -4.856 6.164 -7.767
183 HB3 PRO 22 HB2 PRO 22 -6.242 6.834 -8.654
184 HG2 PRO 22 HG3 PRO 22 -6.036 6.101 -5.762
185 HG3 PRO 22 HG2 PRO 22 -6.709 7.569 -6.498
186 HD2 PRO 22 HD3 PRO 22 -8.282 5.480 -5.677
187 HD3 PRO 22 HD2 PRO 22 -8.718 6.537 -7.040
188 H GLY 23 H GLY 23 -5.176 2.834 -9.290
189 HA2 GLY 23 HA2 GLY 23 -4.658 1.181 -7.045
190 HA3 GLY 23 HA1 GLY 23 -3.829 1.074 -8.598
191 H LEU 24 H LEU 24 -2.758 0.849 -5.853
192 HA LEU 24 HA LEU 24 -0.632 2.893 -6.085
193 HB2 LEU 24 HB3 LEU 24 -2.201 2.182 -3.591
194 HB3 LEU 24 HB2 LEU 24 -0.612 2.936 -3.518
195 HG LEU 24 HG LEU 24 -2.724 4.185 -5.272
196 HD11 LEU 24 HD11 LEU 24 -3.486 5.544 -3.343
197 HD12 LEU 24 HD12 LEU 24 -2.505 4.548 -2.266
198 HD13 LEU 24 HD13 LEU 24 -3.870 3.836 -3.127
199 HD21 LEU 24 HD21 LEU 24 -0.247 4.940 -5.077
200 HD22 LEU 24 HD22 LEU 24 -0.684 5.523 -3.477
201 HD23 LEU 24 HD23 LEU 24 -1.484 6.181 -4.903
202 H THR 25 H THR 25 -0.951 0.004 -6.760
203 HA THR 25 HA THR 25 0.994 -1.261 -4.930
204 HB THR 25 HB THR 25 0.473 -3.300 -6.438
205 HG1 THR 25 HG1 THR 25 -0.886 -1.366 -7.660
206 HG21 THR 25 HG21 THR 25 -1.895 -3.526 -5.371
207 HG22 THR 25 HG22 THR 25 -1.519 -2.005 -4.564
208 HG23 THR 25 HG23 THR 25 -0.502 -3.425 -4.298
209 H ARG 26 H ARG 26 0.530 -1.061 -8.458
210 HA ARG 26 HA ARG 26 3.022 -1.899 -9.279
211 HB2 ARG 26 HB3 ARG 26 1.325 -1.412 -10.943
212 HB3 ARG 26 HB2 ARG 26 1.325 0.299 -10.514
213 HG2 ARG 26 HG3 ARG 26 4.001 -0.784 -11.268
214 HG3 ARG 26 HG2 ARG 26 2.815 -0.787 -12.569
215 HD2 ARG 26 HD3 ARG 26 3.368 1.656 -10.869
216 HD3 ARG 26 HD2 ARG 26 4.212 1.324 -12.377
217 HE ARG 26 HE ARG 26 1.640 1.156 -13.153
218 HH11 ARG 26 HH11 ARG 26 0.373 2.924 -13.807
219 HH12 ARG 26 HH12 ARG 26 0.694 4.498 -13.160
220 HH21 ARG 26 HH21 ARG 26 3.332 3.433 -11.175
221 HH22 ARG 26 HH22 ARG 26 2.368 4.786 -11.666
222 H LYS 27 H LYS 27 5.024 -1.134 -9.294
223 HA LYS 27 HA LYS 27 5.724 1.123 -7.675
224 HB2 LYS 27 HB3 LYS 27 7.042 -0.970 -7.753
225 HB3 LYS 27 HB2 LYS 27 7.466 -0.605 -9.422
226 HG2 LYS 27 HG3 LYS 27 7.993 1.619 -7.513
227 HG3 LYS 27 HG2 LYS 27 8.959 0.179 -7.225
228 HD2 LYS 27 HD3 LYS 27 8.724 1.531 -9.934
229 HD3 LYS 27 HD2 LYS 27 10.027 1.841 -8.793
230 HE2 LYS 27 HE3 LYS 27 10.208 -0.849 -8.872
231 HE3 LYS 27 HE2 LYS 27 9.516 -0.581 -10.472
232 HZ1 LYS 27 HZ1 LYS 27 11.555 -0.094 -11.120
233 HZ2 LYS 27 HZ2 LYS 27 12.145 -0.046 -9.527
234 HZ3 LYS 27 HZ3 LYS 27 11.440 1.337 -10.218
235 HA PRO 28 HA PRO 28 5.382 3.788 -11.424
236 HB2 PRO 28 HB3 PRO 28 6.349 5.925 -9.579
237 HB3 PRO 28 HB2 PRO 28 4.912 5.895 -10.617
238 HG2 PRO 28 HG3 PRO 28 4.709 5.630 -7.979
239 HG3 PRO 28 HG2 PRO 28 3.667 4.707 -9.078
240 HD2 PRO 28 HD3 PRO 28 6.100 3.782 -7.566
241 HD3 PRO 28 HD2 PRO 28 4.545 2.964 -7.839
242 H TYR 29 H TYR 29 7.481 2.277 -11.696
243 HA TYR 29 HA TYR 29 9.685 2.045 -12.350
244 HB2 TYR 29 HB3 TYR 29 10.382 3.683 -14.011
245 HB3 TYR 29 HB2 TYR 29 8.679 3.277 -14.222
246 HD1 TYR 29 HD1 TYR 29 11.036 5.849 -12.958
247 HD2 TYR 29 HD2 TYR 29 6.945 4.899 -13.859
248 HE1 TYR 29 HE1 TYR 29 10.420 8.237 -12.688
249 HE2 TYR 29 HE2 TYR 29 6.331 7.286 -13.590
250 HH TYR 29 HH TYR 29 8.142 9.476 -12.041
251 H GLN 30 H GLN 30 11.562 2.103 -11.512
252 HA GLN 30 HA GLN 30 13.581 3.247 -10.870
253 HB2 GLN 30 HB3 GLN 30 13.664 5.160 -9.515
254 HB3 GLN 30 HB2 GLN 30 12.430 5.487 -10.715
255 HG2 GLN 30 HG3 GLN 30 10.865 4.449 -8.739
256 HG3 GLN 30 HG2 GLN 30 12.169 5.099 -7.757
257 HE21 GLN 30 HE21 GLN 30 11.015 6.883 -6.883
258 HE22 GLN 30 HE22 GLN 30 10.452 8.170 -7.835
259 HA PRO 31 HA PRO 31 12.598 -0.030 -7.775
260 HB2 PRO 31 HB3 PRO 31 15.475 -0.630 -8.323
261 HB3 PRO 31 HB2 PRO 31 14.086 -1.734 -8.261
262 HG2 PRO 31 HG3 PRO 31 15.179 -1.034 -10.586
263 HG3 PRO 31 HG2 PRO 31 13.423 -1.234 -10.421
264 HD2 PRO 31 HD3 PRO 31 15.026 1.300 -10.565
265 HD3 PRO 31 HD2 PRO 31 13.423 0.939 -11.245
266 H TYR 32 H TYR 32 15.862 1.395 -7.840
267 HA TYR 32 HA TYR 32 17.229 2.030 -6.045
268 HB2 TYR 32 HB3 TYR 32 16.451 4.177 -6.364
269 HB3 TYR 32 HB2 TYR 32 14.768 3.712 -6.156
270 HD1 TYR 32 HD1 TYR 32 17.965 4.085 -4.216
271 HD2 TYR 32 HD2 TYR 32 13.671 4.208 -4.148
272 HE1 TYR 32 HE1 TYR 32 18.020 4.898 -1.871
273 HE2 TYR 32 HE2 TYR 32 13.726 5.020 -1.812
274 HH TYR 32 HH TYR 32 15.159 6.059 -0.266
275 H ALA 33 H ALA 33 17.527 0.247 -4.724
276 HA ALA 33 HA ALA 33 16.032 0.289 -2.199
277 HB1 ALA 33 HB1 ALA 33 16.395 -2.315 -3.674
278 HB2 ALA 33 HB2 ALA 33 14.913 -1.363 -3.782
279 HB3 ALA 33 HB3 ALA 33 15.440 -2.004 -2.225
280 HA PRO 34 HA PRO 34 20.675 -0.270 -1.845
281 HB2 PRO 34 HB3 PRO 34 20.022 1.220 0.675
282 HB3 PRO 34 HB2 PRO 34 21.371 1.458 -0.455
283 HG2 PRO 34 HG3 PRO 34 19.308 3.139 -0.408
284 HG3 PRO 34 HG2 PRO 34 20.087 2.683 -1.935
285 HD2 PRO 34 HD3 PRO 34 17.462 1.764 -0.811
286 HD3 PRO 34 HD2 PRO 34 17.924 2.059 -2.505
287 H ALA 35 H ALA 35 20.748 -2.423 -1.407
288 HA ALA 35 HA ALA 35 19.710 -3.368 1.220
289 HB1 ALA 35 HB1 ALA 35 18.771 -4.408 -0.938
290 HB2 ALA 35 HB2 ALA 35 19.372 -5.512 0.296
291 HB3 ALA 35 HB3 ALA 35 20.355 -5.165 -1.122
292 H ARG 36 H ARG 36 22.276 -4.087 -1.142
293 HA ARG 36 HA ARG 36 24.315 -5.188 -0.777
294 HB2 ARG 36 HB3 ARG 36 25.916 -3.611 0.215
295 HB3 ARG 36 HB2 ARG 36 24.831 -2.822 -0.909
296 HG2 ARG 36 HG3 ARG 36 24.858 -1.303 0.869
297 HG3 ARG 36 HG2 ARG 36 23.415 -2.225 1.218
298 HD2 ARG 36 HD3 ARG 36 26.003 -3.190 2.400
299 HD3 ARG 36 HD2 ARG 36 25.246 -1.765 3.100
300 HE ARG 36 HE ARG 36 24.202 -4.499 3.164
301 HH11 ARG 36 HH11 ARG 36 22.434 -4.784 4.565
302 HH12 ARG 36 HH12 ARG 36 21.652 -3.403 5.259
303 HH21 ARG 36 HH21 ARG 36 23.698 -1.105 3.667
304 HH22 ARG 36 HH22 ARG 36 22.370 -1.326 4.757
305 H ASP 37 H ASP 37 26.113 -4.981 1.401
306 HA ASP 37 HA ASP 37 24.715 -6.374 3.604
307 HB2 ASP 37 HB3 ASP 37 25.678 -8.050 2.029
308 HB3 ASP 37 HB2 ASP 37 27.266 -7.334 2.287
309 H PHE 38 H PHE 38 27.983 -6.741 3.811
310 HA PHE 38 HA PHE 38 28.894 -4.221 4.654
311 HB2 PHE 38 HB3 PHE 38 27.169 -5.461 6.551
312 HB3 PHE 38 HB2 PHE 38 28.792 -5.660 7.201
313 HD1 PHE 38 HD1 PHE 38 26.034 -3.418 6.839
314 HD2 PHE 38 HD2 PHE 38 30.321 -3.520 7.201
315 HE1 PHE 38 HE1 PHE 38 26.036 -1.047 7.561
316 HE2 PHE 38 HE2 PHE 38 30.314 -1.152 7.922
317 HZ PHE 38 HZ PHE 38 28.174 0.086 8.103
318 H ALA 39 H ALA 39 29.506 -6.830 3.326
319 HA ALA 39 HA ALA 39 31.247 -8.341 3.099
320 HB1 ALA 39 HB1 ALA 39 32.303 -6.284 2.359
321 HB2 ALA 39 HB2 ALA 39 33.469 -7.254 3.259
322 HB3 ALA 39 HB3 ALA 39 32.705 -5.861 4.023
323 H ALA 40 H ALA 40 29.974 -8.186 5.839
324 HA ALA 40 HA ALA 40 30.283 -9.547 7.713
325 HB1 ALA 40 HB1 ALA 40 32.245 -10.587 6.205
326 HB2 ALA 40 HB2 ALA 40 32.112 -10.952 7.926
327 HB3 ALA 40 HB3 ALA 40 33.258 -9.732 7.369
328 H TYR 41 H TYR 41 30.036 -6.935 7.811
329 HA TYR 41 HA TYR 41 30.499 -4.972 8.996
330 HB2 TYR 41 HB3 TYR 41 29.796 -6.499 10.812
331 HB3 TYR 41 HB2 TYR 41 31.481 -6.972 11.042
332 HD1 TYR 41 HD1 TYR 41 29.260 -3.955 10.933
333 HD2 TYR 41 HD2 TYR 41 32.880 -5.698 12.455
334 HE1 TYR 41 HE1 TYR 41 29.619 -1.960 12.366
335 HE2 TYR 41 HE2 TYR 41 33.237 -3.704 13.887
336 HH TYR 41 HH TYR 41 32.503 -1.217 13.787
337 H ARG 42 H ARG 42 32.832 -6.576 7.536
338 HA ARG 42 HA ARG 42 35.275 -6.103 8.673
339 HB2 ARG 42 HB3 ARG 42 34.352 -5.990 5.816
340 HB3 ARG 42 HB2 ARG 42 35.928 -5.301 6.163
341 HG2 ARG 42 HG3 ARG 42 36.637 -7.405 7.231
342 HG3 ARG 42 HG2 ARG 42 35.060 -8.115 6.894
343 HD2 ARG 42 HD3 ARG 42 35.422 -7.833 4.488
344 HD3 ARG 42 HD2 ARG 42 36.978 -7.066 4.797
345 HE ARG 42 HE ARG 42 36.445 -9.878 4.802
346 HH11 ARG 42 HH11 ARG 42 38.149 -11.245 5.414
347 HH12 ARG 42 HH12 ARG 42 39.517 -10.594 6.255
348 HH21 ARG 42 HH21 ARG 42 38.285 -7.350 6.284
349 HH22 ARG 42 HH22 ARG 42 39.594 -8.386 6.748
350 HA PRO 43 HA PRO 43 36.136 -1.896 9.683
351 HB2 PRO 43 HB3 PRO 43 38.065 -1.979 7.367
352 HB3 PRO 43 HB2 PRO 43 38.288 -1.278 8.985
353 HG2 PRO 43 HG3 PRO 43 39.286 -3.675 8.370
354 HG3 PRO 43 HG2 PRO 43 38.622 -3.336 9.978
355 HD2 PRO 43 HD3 PRO 43 37.508 -5.057 7.835
356 HD3 PRO 43 HD2 PRO 43 37.156 -5.059 9.577
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -34.938 5.688 -3.322
2 H2 GLY 1 H2 GLY 1 -36.273 5.740 -4.373
3 H3 GLY 1 H3 GLY 1 -34.925 6.735 -4.657
4 HA2 GLY 1 HA2 GLY 1 -34.867 4.896 -6.184
5 HA3 GLY 1 HA1 GLY 1 -33.548 4.749 -5.021
6 H THR 2 H THR 2 -33.398 2.504 -5.102
7 HA THR 2 HA THR 2 -33.883 0.328 -4.545
8 HB THR 2 HB THR 2 -35.062 -0.031 -2.518
9 HG1 THR 2 HG1 THR 2 -36.191 2.506 -2.470
10 HG21 THR 2 HG21 THR 2 -33.011 1.531 -2.468
11 HG22 THR 2 HG22 THR 2 -34.062 1.537 -1.050
12 HG23 THR 2 HG23 THR 2 -34.172 2.838 -2.235
13 H ASN 3 H ASN 3 -35.223 -1.366 -5.221
14 HA ASN 3 HA ASN 3 -36.939 -2.385 -6.378
15 HB2 ASN 3 HB3 ASN 3 -38.780 -0.053 -5.946
16 HB3 ASN 3 HB2 ASN 3 -39.109 -1.780 -5.849
17 HD21 ASN 3 HD21 ASN 3 -38.136 1.023 -3.982
18 HD22 ASN 3 HD22 ASN 3 -37.975 0.210 -2.502
19 H SER 4 H SER 4 -36.984 -2.520 -8.545
20 HA SER 4 HA SER 4 -36.889 -1.903 -10.781
21 HB2 SER 4 HB3 SER 4 -38.543 -0.415 -11.465
22 HB3 SER 4 HB2 SER 4 -39.140 -0.890 -9.877
23 HG SER 4 HG SER 4 -38.240 1.530 -10.772
24 H ARG 5 H ARG 5 -34.573 -1.359 -9.501
25 HA ARG 5 HA ARG 5 -33.699 1.323 -9.564
26 HB2 ARG 5 HB3 ARG 5 -32.145 -1.263 -9.805
27 HB3 ARG 5 HB2 ARG 5 -31.397 0.325 -9.643
28 HG2 ARG 5 HG3 ARG 5 -32.585 0.687 -7.516
29 HG3 ARG 5 HG2 ARG 5 -33.352 -0.892 -7.667
30 HD2 ARG 5 HD3 ARG 5 -31.102 -1.953 -7.680
31 HD3 ARG 5 HD2 ARG 5 -30.376 -0.366 -7.443
32 HE ARG 5 HE ARG 5 -31.651 -1.984 -5.431
33 HH11 ARG 5 HH11 ARG 5 -31.701 -1.106 -3.338
34 HH12 ARG 5 HH12 ARG 5 -31.423 0.587 -3.107
35 HH21 ARG 5 HH21 ARG 5 -30.960 1.242 -6.481
36 HH22 ARG 5 HH22 ARG 5 -31.004 1.917 -4.887
37 H ARG 6 H ARG 6 -32.603 -1.201 -11.849
38 HA ARG 6 HA ARG 6 -31.929 -1.104 -14.017
39 HB2 ARG 6 HB3 ARG 6 -33.669 -0.635 -15.408
40 HB3 ARG 6 HB2 ARG 6 -34.554 -0.262 -13.939
41 HG2 ARG 6 HG3 ARG 6 -33.921 2.137 -14.193
42 HG3 ARG 6 HG2 ARG 6 -33.077 1.741 -15.686
43 HD2 ARG 6 HD3 ARG 6 -35.338 2.588 -16.163
44 HD3 ARG 6 HD2 ARG 6 -35.169 0.909 -16.670
45 HE ARG 6 HE ARG 6 -36.716 0.304 -15.036
46 HH11 ARG 6 HH11 ARG 6 -38.257 0.805 -13.449
47 HH12 ARG 6 HH12 ARG 6 -38.250 2.368 -12.703
48 HH21 ARG 6 HH21 ARG 6 -35.537 3.521 -14.532
49 HH22 ARG 6 HH22 ARG 6 -36.708 3.907 -13.316
50 H ASN 7 H ASN 7 -30.283 -0.201 -15.131
51 HA ASN 7 HA ASN 7 -28.584 1.282 -15.626
52 HB2 ASN 7 HB3 ASN 7 -30.485 2.539 -16.617
53 HB3 ASN 7 HB2 ASN 7 -30.702 3.371 -15.076
54 HD21 ASN 7 HD21 ASN 7 -30.166 5.335 -16.687
55 HD22 ASN 7 HD22 ASN 7 -28.521 5.723 -16.825
56 H ARG 8 H ARG 8 -28.149 0.324 -13.258
57 HA ARG 8 HA ARG 8 -28.283 1.738 -10.938
58 HB2 ARG 8 HB3 ARG 8 -26.928 -0.491 -11.546
59 HB3 ARG 8 HB2 ARG 8 -25.575 0.624 -11.604
60 HG2 ARG 8 HG3 ARG 8 -25.586 -0.114 -9.365
61 HG3 ARG 8 HG2 ARG 8 -26.403 1.444 -9.287
62 HD2 ARG 8 HD3 ARG 8 -28.549 0.427 -9.089
63 HD3 ARG 8 HD2 ARG 8 -27.948 -1.141 -9.609
64 HE ARG 8 HE ARG 8 -27.299 -1.543 -7.423
65 HH11 ARG 8 HH11 ARG 8 -27.132 -1.005 -5.228
66 HH12 ARG 8 HH12 ARG 8 -27.288 0.646 -4.731
67 HH21 ARG 8 HH21 ARG 8 -27.795 1.840 -7.949
68 HH22 ARG 8 HH22 ARG 8 -27.662 2.258 -6.273
69 H LEU 9 H LEU 9 -25.311 2.032 -12.919
70 HA LEU 9 HA LEU 9 -25.471 4.867 -13.043
71 HB2 LEU 9 HB3 LEU 9 -24.654 4.003 -10.568
72 HB3 LEU 9 HB2 LEU 9 -23.107 4.166 -11.374
73 HG LEU 9 HG LEU 9 -23.584 6.238 -10.245
74 HD11 LEU 9 HD11 LEU 9 -22.605 6.381 -12.554
75 HD12 LEU 9 HD12 LEU 9 -23.436 7.835 -12.017
76 HD13 LEU 9 HD13 LEU 9 -24.218 6.751 -13.159
77 HD21 LEU 9 HD21 LEU 9 -25.586 7.431 -10.317
78 HD22 LEU 9 HD22 LEU 9 -26.147 5.765 -10.294
79 HD23 LEU 9 HD23 LEU 9 -26.120 6.666 -11.810
80 H LEU 10 H LEU 10 -24.982 2.642 -14.817
81 HA LEU 10 HA LEU 10 -23.319 1.668 -16.203
82 HB2 LEU 10 HB3 LEU 10 -22.560 3.470 -17.838
83 HB3 LEU 10 HB2 LEU 10 -24.294 3.216 -17.677
84 HG LEU 10 HG LEU 10 -23.051 5.271 -15.871
85 HD11 LEU 10 HD11 LEU 10 -23.456 5.663 -18.852
86 HD12 LEU 10 HD12 LEU 10 -21.957 5.869 -17.946
87 HD13 LEU 10 HD13 LEU 10 -23.297 6.990 -17.703
88 HD21 LEU 10 HD21 LEU 10 -25.176 6.301 -16.035
89 HD22 LEU 10 HD22 LEU 10 -25.550 4.580 -16.041
90 HD23 LEU 10 HD23 LEU 10 -25.557 5.487 -17.551
91 H GLN 11 H GLN 11 -21.485 0.860 -15.425
92 HA GLN 11 HA GLN 11 -19.244 0.742 -14.877
93 HB2 GLN 11 HB3 GLN 11 -17.999 1.963 -16.341
94 HB3 GLN 11 HB2 GLN 11 -19.434 2.884 -16.759
95 HG2 GLN 11 HG3 GLN 11 -18.936 4.466 -14.908
96 HG3 GLN 11 HG2 GLN 11 -17.484 3.540 -14.526
97 HE21 GLN 11 HE21 GLN 11 -17.775 6.385 -15.574
98 HE22 GLN 11 HE22 GLN 11 -16.822 6.419 -16.980
99 H SER 12 H SER 12 -17.866 1.325 -13.161
100 HA SER 12 HA SER 12 -17.409 2.031 -10.991
101 HB2 SER 12 HB3 SER 12 -17.668 4.305 -10.531
102 HB3 SER 12 HB2 SER 12 -17.626 4.282 -12.291
103 HG SER 12 HG SER 12 -19.378 5.518 -11.340
104 H ASP 13 H ASP 13 -18.508 0.479 -9.752
105 HA ASP 13 HA ASP 13 -21.345 0.414 -9.474
106 HB2 ASP 13 HB3 ASP 13 -20.915 -1.219 -7.685
107 HB3 ASP 13 HB2 ASP 13 -19.962 -1.580 -9.121
108 H TYR 14 H TYR 14 -22.671 1.141 -7.822
109 HA TYR 14 HA TYR 14 -21.996 3.533 -6.574
110 HB2 TYR 14 HB3 TYR 14 -24.317 2.748 -7.088
111 HB3 TYR 14 HB2 TYR 14 -24.173 1.612 -5.748
112 HD1 TYR 14 HD1 TYR 14 -24.625 5.102 -6.717
113 HD2 TYR 14 HD2 TYR 14 -23.961 2.434 -3.423
114 HE1 TYR 14 HE1 TYR 14 -25.260 6.902 -5.127
115 HE2 TYR 14 HE2 TYR 14 -24.594 4.223 -1.832
116 HH TYR 14 HH TYR 14 -24.909 7.494 -2.785
117 H MET 15 H MET 15 -21.091 0.432 -5.735
118 HA MET 15 HA MET 15 -20.754 -0.503 -3.528
119 HB2 MET 15 HB3 MET 15 -18.710 -0.291 -4.841
120 HB3 MET 15 HB2 MET 15 -18.507 1.363 -4.285
121 HG2 MET 15 HG3 MET 15 -17.065 -0.244 -3.047
122 HG3 MET 15 HG2 MET 15 -18.184 0.599 -1.988
123 HE1 MET 15 HE1 MET 15 -18.309 -0.763 -0.089
124 HE2 MET 15 HE2 MET 15 -19.384 -2.151 0.040
125 HE3 MET 15 HE3 MET 15 -20.018 -0.604 -0.518
126 H ASN 16 H ASN 16 -22.446 0.547 -2.320
127 HA ASN 16 HA ASN 16 -22.730 2.893 -1.109
128 HB2 ASN 16 HB3 ASN 16 -24.106 0.925 -0.483
129 HB3 ASN 16 HB2 ASN 16 -22.769 0.322 0.499
130 HD21 ASN 16 HD21 ASN 16 -23.230 3.785 0.388
131 HD22 ASN 16 HD22 ASN 16 -23.902 3.940 1.939
132 H MET 17 H MET 17 -21.944 4.131 0.530
133 HA MET 17 HA MET 17 -20.491 4.828 2.247
134 HB2 MET 17 HB3 MET 17 -18.620 2.533 1.598
135 HB3 MET 17 HB2 MET 17 -18.602 3.569 3.006
136 HG2 MET 17 HG3 MET 17 -20.004 2.164 4.112
137 HG3 MET 17 HG2 MET 17 -21.215 2.308 2.853
138 HE1 MET 17 HE1 MET 17 -21.503 -1.336 2.778
139 HE2 MET 17 HE2 MET 17 -22.127 0.239 3.256
140 HE3 MET 17 HE3 MET 17 -21.049 -0.638 4.338
141 H THR 18 H THR 18 -18.661 3.343 -0.429
142 HA THR 18 HA THR 18 -18.120 5.766 -1.720
143 HB THR 18 HB THR 18 -16.602 5.538 0.620
144 HG1 THR 18 HG1 THR 18 -16.466 7.508 0.003
145 HG21 THR 18 HG21 THR 18 -14.289 5.343 -0.081
146 HG22 THR 18 HG22 THR 18 -14.774 5.095 -1.758
147 HG23 THR 18 HG23 THR 18 -15.136 3.868 -0.545
148 HA PRO 19 HA PRO 19 -16.808 2.829 -4.762
149 HB2 PRO 19 HB3 PRO 19 -15.270 4.323 -6.420
150 HB3 PRO 19 HB2 PRO 19 -17.020 4.593 -6.265
151 HG2 PRO 19 HG3 PRO 19 -14.768 6.048 -4.925
152 HG3 PRO 19 HG2 PRO 19 -16.184 6.710 -5.768
153 HD2 PRO 19 HD3 PRO 19 -16.108 6.504 -3.068
154 HD3 PRO 19 HD2 PRO 19 -17.619 6.279 -3.982
155 H ARG 20 H ARG 20 -15.155 1.380 -5.250
156 HA ARG 20 HA ARG 20 -13.238 0.659 -3.540
157 HB2 ARG 20 HB3 ARG 20 -11.915 -0.317 -5.375
158 HB3 ARG 20 HB2 ARG 20 -13.636 -0.616 -5.581
159 HG2 ARG 20 HG3 ARG 20 -13.822 0.933 -7.362
160 HG3 ARG 20 HG2 ARG 20 -12.334 1.764 -6.921
161 HD2 ARG 20 HD3 ARG 20 -10.981 0.040 -7.788
162 HD3 ARG 20 HD2 ARG 20 -12.300 -1.128 -7.781
163 HE ARG 20 HE ARG 20 -12.851 -0.371 -9.891
164 HH11 ARG 20 HH11 ARG 20 -12.802 1.067 -11.641
165 HH12 ARG 20 HH12 ARG 20 -12.021 2.604 -11.472
166 HH21 ARG 20 HH21 ARG 20 -11.077 2.056 -8.180
167 HH22 ARG 20 HH22 ARG 20 -11.042 3.164 -9.510
168 H ARG 21 H ARG 21 -10.986 0.963 -3.226
169 HA ARG 21 HA ARG 21 -10.193 3.737 -3.470
170 HB2 ARG 21 HB3 ARG 21 -8.004 2.618 -2.384
171 HB3 ARG 21 HB2 ARG 21 -9.444 2.952 -1.428
172 HG2 ARG 21 HG3 ARG 21 -8.576 0.652 -1.055
173 HG3 ARG 21 HG2 ARG 21 -10.215 0.649 -1.693
174 HD2 ARG 21 HD3 ARG 21 -9.515 -0.057 -3.822
175 HD3 ARG 21 HD2 ARG 21 -7.856 0.476 -3.562
176 HE ARG 21 HE ARG 21 -8.942 -2.080 -2.888
177 HH11 ARG 21 HH11 ARG 21 -7.595 -3.518 -1.760
178 HH12 ARG 21 HH12 ARG 21 -6.190 -2.919 -0.943
179 HH21 ARG 21 HH21 ARG 21 -6.734 0.378 -1.866
180 HH22 ARG 21 HH22 ARG 21 -5.702 -0.715 -1.004
181 HA PRO 22 HA PRO 22 -7.801 3.162 -7.150
182 HB2 PRO 22 HB3 PRO 22 -5.903 5.098 -6.918
183 HB3 PRO 22 HB2 PRO 22 -7.616 5.489 -7.188
184 HG2 PRO 22 HG3 PRO 22 -6.063 5.486 -4.627
185 HG3 PRO 22 HG2 PRO 22 -7.206 6.696 -5.244
186 HD2 PRO 22 HD3 PRO 22 -7.932 4.822 -3.396
187 HD3 PRO 22 HD2 PRO 22 -9.075 5.458 -4.603
188 H GLY 23 H GLY 23 -6.075 1.889 -7.800
189 HA2 GLY 23 HA2 GLY 23 -4.675 0.348 -5.912
190 HA3 GLY 23 HA1 GLY 23 -4.215 0.507 -7.607
191 H LEU 24 H LEU 24 -2.750 0.589 -4.872
192 HA LEU 24 HA LEU 24 -0.974 2.805 -5.611
193 HB2 LEU 24 HB3 LEU 24 -2.802 3.047 -3.495
194 HB3 LEU 24 HB2 LEU 24 -1.302 2.617 -2.688
195 HG LEU 24 HG LEU 24 -1.545 5.048 -2.838
196 HD11 LEU 24 HD11 LEU 24 0.637 5.526 -3.494
197 HD12 LEU 24 HD12 LEU 24 0.604 4.387 -4.835
198 HD13 LEU 24 HD13 LEU 24 0.718 3.795 -3.177
199 HD21 LEU 24 HD21 LEU 24 -2.027 6.233 -4.745
200 HD22 LEU 24 HD22 LEU 24 -2.831 4.727 -5.178
201 HD23 LEU 24 HD23 LEU 24 -1.226 5.089 -5.817
202 H THR 25 H THR 25 -0.937 -0.126 -5.777
203 HA THR 25 HA THR 25 1.310 -0.792 -3.961
204 HB THR 25 HB THR 25 0.881 -3.156 -4.885
205 HG1 THR 25 HG1 THR 25 -1.027 -1.648 -6.161
206 HG21 THR 25 HG21 THR 25 -1.332 -3.360 -3.527
207 HG22 THR 25 HG22 THR 25 -1.085 -1.660 -3.142
208 HG23 THR 25 HG23 THR 25 0.125 -2.858 -2.674
209 H ARG 26 H ARG 26 0.380 -1.590 -7.293
210 HA ARG 26 HA ARG 26 2.517 -2.448 -8.552
211 HB2 ARG 26 HB3 ARG 26 0.585 -1.710 -9.847
212 HB3 ARG 26 HB2 ARG 26 0.980 -0.021 -9.531
213 HG2 ARG 26 HG3 ARG 26 3.268 -1.465 -10.708
214 HG3 ARG 26 HG2 ARG 26 1.843 -1.551 -11.737
215 HD2 ARG 26 HD3 ARG 26 3.005 1.008 -10.608
216 HD3 ARG 26 HD2 ARG 26 3.230 0.435 -12.256
217 HE ARG 26 HE ARG 26 0.532 0.505 -12.018
218 HH11 ARG 26 HH11 ARG 26 -0.727 2.350 -12.430
219 HH12 ARG 26 HH12 ARG 26 -0.036 3.925 -12.230
220 HH21 ARG 26 HH21 ARG 26 3.060 2.731 -11.233
221 HH22 ARG 26 HH22 ARG 26 2.108 4.144 -11.551
222 H LYS 27 H LYS 27 4.583 -2.126 -8.073
223 HA LYS 27 HA LYS 27 5.898 -0.200 -6.886
224 HB2 LYS 27 HB3 LYS 27 7.814 -1.251 -7.544
225 HB3 LYS 27 HB2 LYS 27 6.736 -2.358 -8.358
226 HG2 LYS 27 HG3 LYS 27 7.949 0.085 -9.711
227 HG3 LYS 27 HG2 LYS 27 8.666 -1.513 -9.744
228 HD2 LYS 27 HD3 LYS 27 5.905 -0.846 -10.815
229 HD3 LYS 27 HD2 LYS 27 7.349 -1.073 -11.784
230 HE2 LYS 27 HE3 LYS 27 7.472 -3.392 -10.479
231 HE3 LYS 27 HE2 LYS 27 5.737 -3.117 -10.301
232 HZ1 LYS 27 HZ1 LYS 27 5.374 -3.351 -12.502
233 HZ2 LYS 27 HZ2 LYS 27 6.789 -4.288 -12.418
234 HZ3 LYS 27 HZ3 LYS 27 6.866 -2.677 -12.950
235 HA PRO 28 HA PRO 28 5.578 3.567 -9.126
236 HB2 PRO 28 HB3 PRO 28 7.742 4.949 -8.264
237 HB3 PRO 28 HB2 PRO 28 6.421 4.502 -7.163
238 HG2 PRO 28 HG3 PRO 28 9.056 3.136 -7.590
239 HG3 PRO 28 HG2 PRO 28 8.257 3.576 -6.068
240 HD2 PRO 28 HD3 PRO 28 8.118 1.056 -7.101
241 HD3 PRO 28 HD2 PRO 28 6.792 1.777 -6.155
242 H TYR 29 H TYR 29 6.648 1.484 -10.754
243 HA TYR 29 HA TYR 29 7.901 1.060 -12.643
244 HB2 TYR 29 HB3 TYR 29 8.025 2.911 -14.259
245 HB3 TYR 29 HB2 TYR 29 6.426 2.783 -13.536
246 HD1 TYR 29 HD1 TYR 29 9.535 4.760 -13.675
247 HD2 TYR 29 HD2 TYR 29 5.585 4.490 -12.014
248 HE1 TYR 29 HE1 TYR 29 9.685 7.124 -12.945
249 HE2 TYR 29 HE2 TYR 29 5.732 6.858 -11.279
250 HH TYR 29 HH TYR 29 7.242 8.569 -10.886
251 H GLN 30 H GLN 30 9.941 0.658 -13.132
252 HA GLN 30 HA GLN 30 12.196 0.467 -12.504
253 HB2 GLN 30 HB3 GLN 30 13.496 1.980 -13.735
254 HB3 GLN 30 HB2 GLN 30 11.959 1.957 -14.584
255 HG2 GLN 30 HG3 GLN 30 11.535 4.026 -12.822
256 HG3 GLN 30 HG2 GLN 30 13.263 4.170 -13.072
257 HE21 GLN 30 HE21 GLN 30 12.050 6.321 -14.040
258 HE22 GLN 30 HE22 GLN 30 11.813 6.250 -15.719
259 HA PRO 31 HA PRO 31 11.416 2.623 -8.394
260 HB2 PRO 31 HB3 PRO 31 12.819 0.065 -7.675
261 HB3 PRO 31 HB2 PRO 31 11.476 0.883 -6.846
262 HG2 PRO 31 HG3 PRO 31 11.040 -1.258 -8.353
263 HG3 PRO 31 HG2 PRO 31 9.903 0.103 -8.351
264 HD2 PRO 31 HD3 PRO 31 11.876 -0.692 -10.455
265 HD3 PRO 31 HD2 PRO 31 10.295 0.095 -10.632
266 H TYR 32 H TYR 32 14.245 0.900 -9.610
267 HA TYR 32 HA TYR 32 16.515 1.247 -9.315
268 HB2 TYR 32 HB3 TYR 32 17.179 3.185 -10.369
269 HB3 TYR 32 HB2 TYR 32 15.474 3.208 -10.800
270 HD1 TYR 32 HD1 TYR 32 13.944 4.834 -9.797
271 HD2 TYR 32 HD2 TYR 32 18.079 4.664 -8.650
272 HE1 TYR 32 HE1 TYR 32 13.722 7.034 -8.673
273 HE2 TYR 32 HE2 TYR 32 17.860 6.860 -7.522
274 HH TYR 32 HH TYR 32 15.190 8.906 -7.996
275 H ALA 33 H ALA 33 17.310 0.735 -7.397
276 HA ALA 33 HA ALA 33 17.511 2.824 -5.347
277 HB1 ALA 33 HB1 ALA 33 15.453 1.606 -4.791
278 HB2 ALA 33 HB2 ALA 33 16.712 1.335 -3.586
279 HB3 ALA 33 HB3 ALA 33 16.356 0.091 -4.785
280 HA PRO 34 HA PRO 34 21.364 0.284 -6.075
281 HB2 PRO 34 HB3 PRO 34 22.499 2.914 -5.190
282 HB3 PRO 34 HB2 PRO 34 23.023 1.850 -6.510
283 HG2 PRO 34 HG3 PRO 34 21.684 4.108 -6.998
284 HG3 PRO 34 HG2 PRO 34 21.422 2.648 -7.968
285 HD2 PRO 34 HD3 PRO 34 19.675 3.838 -5.847
286 HD3 PRO 34 HD2 PRO 34 19.218 2.949 -7.320
287 H ALA 35 H ALA 35 21.610 -1.059 -4.413
288 HA ALA 35 HA ALA 35 21.716 0.032 -1.645
289 HB1 ALA 35 HB1 ALA 35 19.809 -1.558 -2.200
290 HB2 ALA 35 HB2 ALA 35 20.822 -2.016 -0.833
291 HB3 ALA 35 HB3 ALA 35 21.031 -2.818 -2.387
292 H ARG 36 H ARG 36 22.887 -2.755 -3.541
293 HA ARG 36 HA ARG 36 24.730 -4.132 -3.040
294 HB2 ARG 36 HB3 ARG 36 26.760 -3.002 -3.929
295 HB3 ARG 36 HB2 ARG 36 25.349 -2.822 -4.950
296 HG2 ARG 36 HG3 ARG 36 26.183 -0.640 -4.971
297 HG3 ARG 36 HG2 ARG 36 25.020 -0.529 -3.662
298 HD2 ARG 36 HD3 ARG 36 27.878 -1.288 -3.048
299 HD3 ARG 36 HD2 ARG 36 27.457 0.394 -3.322
300 HE ARG 36 HE ARG 36 26.601 -1.270 -1.074
301 HH11 ARG 36 HH11 ARG 36 25.677 -0.113 0.645
302 HH12 ARG 36 HH12 ARG 36 25.294 1.565 0.452
303 HH21 ARG 36 HH21 ARG 36 26.395 1.721 -2.829
304 HH22 ARG 36 HH22 ARG 36 25.702 2.602 -1.508
305 H ASP 37 H ASP 37 27.392 -3.162 -2.273
306 HA ASP 37 HA ASP 37 26.967 -2.457 0.568
307 HB2 ASP 37 HB3 ASP 37 27.268 -4.885 0.453
308 HB3 ASP 37 HB2 ASP 37 28.754 -4.665 -0.469
309 H PHE 38 H PHE 38 30.050 -3.446 -0.465
310 HA PHE 38 HA PHE 38 31.024 -1.034 -1.554
311 HB2 PHE 38 HB3 PHE 38 30.644 -0.933 1.253
312 HB3 PHE 38 HB2 PHE 38 32.376 -1.127 1.034
313 HD1 PHE 38 HD1 PHE 38 29.595 1.155 0.877
314 HD2 PHE 38 HD2 PHE 38 33.579 0.482 -0.599
315 HE1 PHE 38 HE1 PHE 38 29.769 3.546 0.248
316 HE2 PHE 38 HE2 PHE 38 33.746 2.875 -1.223
317 HZ PHE 38 HZ PHE 38 31.844 4.405 -0.801
318 H ALA 39 H ALA 39 31.129 -4.130 -0.716
319 HA ALA 39 HA ALA 39 32.587 -5.901 -0.985
320 HB1 ALA 39 HB1 ALA 39 33.576 -3.948 -3.059
321 HB2 ALA 39 HB2 ALA 39 32.477 -5.308 -3.285
322 HB3 ALA 39 HB3 ALA 39 34.179 -5.600 -2.928
323 H ALA 40 H ALA 40 33.300 -4.391 1.228
324 HA ALA 40 HA ALA 40 35.076 -4.553 2.726
325 HB1 ALA 40 HB1 ALA 40 37.132 -4.794 0.550
326 HB2 ALA 40 HB2 ALA 40 36.096 -6.177 0.893
327 HB3 ALA 40 HB3 ALA 40 37.116 -5.506 2.163
328 H TYR 41 H TYR 41 33.946 -2.281 1.796
329 HA TYR 41 HA TYR 41 34.281 0.042 1.567
330 HB2 TYR 41 HB3 TYR 41 35.187 -0.341 3.836
331 HB3 TYR 41 HB2 TYR 41 36.781 -0.625 3.135
332 HD1 TYR 41 HD1 TYR 41 34.004 1.905 3.031
333 HD2 TYR 41 HD2 TYR 41 38.244 1.202 2.927
334 HE1 TYR 41 HE1 TYR 41 34.410 4.350 2.990
335 HE2 TYR 41 HE2 TYR 41 38.645 3.650 2.886
336 HH TYR 41 HH TYR 41 37.291 5.722 2.126
337 H ARG 42 H ARG 42 35.774 -2.027 -0.262
338 HA ARG 42 HA ARG 42 38.163 -1.149 -1.224
339 HB2 ARG 42 HB3 ARG 42 35.768 -2.308 -2.612
340 HB3 ARG 42 HB2 ARG 42 36.985 -1.574 -3.643
341 HG2 ARG 42 HG3 ARG 42 38.727 -2.990 -2.615
342 HG3 ARG 42 HG2 ARG 42 37.513 -3.749 -1.586
343 HD2 ARG 42 HD3 ARG 42 36.370 -4.681 -3.483
344 HD3 ARG 42 HD2 ARG 42 37.340 -3.732 -4.608
345 HE ARG 42 HE ARG 42 38.085 -6.229 -3.424
346 HH11 ARG 42 HH11 ARG 42 40.190 -6.977 -3.827
347 HH12 ARG 42 HH12 ARG 42 41.392 -5.883 -4.426
348 HH21 ARG 42 HH21 ARG 42 39.256 -3.155 -4.495
349 HH22 ARG 42 HH22 ARG 42 40.862 -3.719 -4.804
350 HA PRO 43 HA PRO 43 38.325 3.028 -2.643
351 HB2 PRO 43 HB3 PRO 43 38.442 1.838 -5.408
352 HB3 PRO 43 HB2 PRO 43 39.387 3.179 -4.727
353 HG2 PRO 43 HG3 PRO 43 40.412 0.718 -4.903
354 HG3 PRO 43 HG2 PRO 43 40.768 1.776 -3.524
355 HD2 PRO 43 HD3 PRO 43 39.114 -0.681 -3.596
356 HD3 PRO 43 HD2 PRO 43 39.864 0.130 -2.203