Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
525613 | 2l7m RC | 17145 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -1 1H GLY -1 1.829 -6.856 21.367
2 H2 GLY -1 2H GLY -1 1.991 -6.585 22.973
3 H3 GLY -1 3H GLY -1 3.048 -7.570 22.198
4 HA2 GLY -1 2HA GLY -1 4.093 -5.456 22.638
5 HA3 GLY -1 3HA GLY -1 3.907 -5.740 20.898
6 H SER 0 H SER 0 4.145 -3.373 20.804
7 HA SER 0 HA SER 0 1.526 -2.034 20.716
8 HB2 SER 0 2HB SER 0 2.511 -1.590 23.020
9 HB3 SER 0 3HB SER 0 3.827 -0.721 22.209
10 HG SER 0 HG SER 0 2.062 0.644 22.865
11 H GLN 1 H GLN 1 1.821 0.216 19.722
12 HA GLN 1 HA GLN 1 3.249 -0.121 17.192
13 HB2 GLN 1 2HB GLN 1 1.547 2.163 18.278
14 HB3 GLN 1 3HB GLN 1 2.299 2.146 16.687
15 HG2 GLN 1 2HG GLN 1 0.048 1.501 16.358
16 HG3 GLN 1 3HG GLN 1 1.035 0.065 16.106
17 HE21 GLN 1 2HE2 GLN 1 -0.946 1.728 18.660
18 HE22 GLN 1 1HE2 GLN 1 -1.493 0.222 19.383
19 H ARG 2 H ARG 2 4.985 1.002 16.404
20 HA ARG 2 HA ARG 2 6.879 2.110 18.351
21 HB2 ARG 2 2HB ARG 2 7.065 1.700 15.337
22 HB3 ARG 2 3HB ARG 2 8.385 2.264 16.365
23 HG2 ARG 2 2HG ARG 2 8.247 0.145 17.697
24 HG3 ARG 2 3HG ARG 2 6.972 -0.429 16.615
25 HD2 ARG 2 2HD ARG 2 9.018 -1.435 15.907
26 HD3 ARG 2 3HD ARG 2 8.550 -0.238 14.687
27 HE ARG 2 HE ARG 2 10.331 0.935 16.633
28 HH11 ARG 2 2HH1 ARG 2 10.469 -1.259 13.906
29 HH12 ARG 2 1HH1 ARG 2 12.135 -0.878 13.566
30 HH21 ARG 2 2HH2 ARG 2 12.451 1.383 16.140
31 HH22 ARG 2 1HH2 ARG 2 13.223 0.577 14.807
32 H ARG 3 H ARG 3 4.512 3.527 16.357
33 HA ARG 3 HA ARG 3 5.472 6.277 16.998
34 HB2 ARG 3 2HB ARG 3 4.473 5.349 14.263
35 HB3 ARG 3 3HB ARG 3 4.718 7.034 14.735
36 HG2 ARG 3 2HG ARG 3 7.140 6.571 15.121
37 HG3 ARG 3 3HG ARG 3 6.897 4.905 14.557
38 HD2 ARG 3 2HD ARG 3 6.106 5.739 12.376
39 HD3 ARG 3 3HD ARG 3 6.341 7.406 12.901
40 HE ARG 3 HE ARG 3 8.394 5.452 12.104
41 HH11 ARG 3 2HH1 ARG 3 7.944 8.551 13.693
42 HH12 ARG 3 1HH1 ARG 3 9.598 9.022 13.421
43 HH21 ARG 3 2HH2 ARG 3 10.481 6.125 11.801
44 HH22 ARG 3 1HH2 ARG 3 10.989 7.682 12.383
45 H GLN 4 H GLN 4 3.821 7.843 17.146
46 HA GLN 4 HA GLN 4 1.238 6.801 18.051
47 HB2 GLN 4 2HB GLN 4 2.476 8.550 19.285
48 HB3 GLN 4 3HB GLN 4 2.316 9.645 17.914
49 HG2 GLN 4 2HG GLN 4 0.670 10.170 19.643
50 HG3 GLN 4 3HG GLN 4 -0.152 9.643 18.182
51 HE21 GLN 4 2HE2 GLN 4 0.803 8.609 21.495
52 HE22 GLN 4 1HE2 GLN 4 -0.406 7.335 21.587
53 H ARG 5 H ARG 5 0.479 5.900 16.113
54 HA ARG 5 HA ARG 5 -0.743 7.808 14.148
55 HB2 ARG 5 2HB ARG 5 0.786 5.234 13.549
56 HB3 ARG 5 3HB ARG 5 -0.234 6.076 12.377
57 HG2 ARG 5 2HG ARG 5 1.176 8.085 12.524
58 HG3 ARG 5 3HG ARG 5 2.219 7.292 13.724
59 HD2 ARG 5 2HD ARG 5 2.847 5.569 12.113
60 HD3 ARG 5 3HD ARG 5 1.740 6.254 10.905
61 HE ARG 5 HE ARG 5 3.478 8.335 11.684
62 HH11 ARG 5 2HH1 ARG 5 3.799 5.287 9.987
63 HH12 ARG 5 1HH1 ARG 5 5.157 5.847 9.051
64 HH21 ARG 5 2HH2 ARG 5 5.200 8.993 10.438
65 HH22 ARG 5 1HH2 ARG 5 5.927 7.890 9.311
66 H THR 6 H THR 6 -2.682 7.218 13.279
67 HA THR 6 HA THR 6 -4.254 5.192 14.744
68 HB THR 6 HB THR 6 -5.119 7.420 14.559
69 HG1 THR 6 1HG THR 6 -7.181 6.814 13.964
70 HG21 THR 6 1HG2 THR 6 -5.524 6.995 11.571
71 HG22 THR 6 2HG2 THR 6 -4.331 8.091 12.298
72 HG23 THR 6 3HG2 THR 6 -6.056 8.368 12.553
73 H HIS 7 H HIS 7 -2.516 3.794 13.616
74 HA HIS 7 HA HIS 7 -1.796 2.239 12.175
75 HB2 HIS 7 2HB HIS 7 -4.723 1.909 11.468
76 HB3 HIS 7 3HB HIS 7 -3.439 0.768 11.098
77 HD2 HIS 7 2HD HIS 7 -2.120 -0.353 13.295
78 HE1 HIS 7 1HE HIS 7 -5.388 0.215 15.977
79 HE2 HIS 7 2HE HIS 7 -3.177 -0.996 15.623
80 H PHE 8 H PHE 8 -3.068 5.020 10.752
81 HA PHE 8 HA PHE 8 -1.508 4.499 8.291
82 HB2 PHE 8 2HB PHE 8 -4.242 5.823 8.366
83 HB3 PHE 8 3HB PHE 8 -3.236 5.557 6.945
84 HD1 PHE 8 1HD PHE 8 -2.896 3.272 6.033
85 HD2 PHE 8 2HD PHE 8 -5.594 4.034 9.305
86 HE1 PHE 8 1HE PHE 8 -3.929 1.029 5.712
87 HE2 PHE 8 2HE PHE 8 -6.580 1.770 9.029
88 HZ PHE 8 HZ PHE 8 -5.728 0.259 7.257
89 H THR 9 H THR 9 -1.016 6.512 7.108
90 HA THR 9 HA THR 9 -0.807 8.956 8.826
91 HB THR 9 HB THR 9 1.021 9.700 7.603
92 HG1 THR 9 1HG THR 9 1.732 8.651 5.709
93 HG21 THR 9 1HG2 THR 9 2.700 7.962 7.696
94 HG22 THR 9 2HG2 THR 9 1.457 6.693 7.654
95 HG23 THR 9 3HG2 THR 9 1.587 7.761 9.067
96 H SER 10 H SER 10 -1.186 11.030 7.811
97 HA SER 10 HA SER 10 -3.491 11.237 6.207
98 HB2 SER 10 2HB SER 10 -1.323 13.329 6.436
99 HB3 SER 10 3HB SER 10 -3.057 13.556 6.101
100 HG SER 10 HG SER 10 -2.536 13.987 8.301
101 H GLN 11 H GLN 11 -0.366 10.363 5.092
102 HA GLN 11 HA GLN 11 -0.929 11.215 2.297
103 HB2 GLN 11 2HB GLN 11 1.294 11.673 3.320
104 HB3 GLN 11 3HB GLN 11 1.557 9.932 3.487
105 HG2 GLN 11 2HG GLN 11 1.392 9.668 1.022
106 HG3 GLN 11 3HG GLN 11 1.058 11.396 0.853
107 HE21 GLN 11 2HE2 GLN 11 2.840 12.939 1.456
108 HE22 GLN 11 1HE2 GLN 11 4.495 12.354 1.374
109 H GLN 12 H GLN 12 -0.440 8.226 4.270
110 HA GLN 12 HA GLN 12 -0.613 6.331 2.121
111 HB2 GLN 12 2HB GLN 12 -1.357 6.149 5.067
112 HB3 GLN 12 3HB GLN 12 -1.351 4.762 3.968
113 HG2 GLN 12 2HG GLN 12 0.998 5.012 3.512
114 HG3 GLN 12 3HG GLN 12 1.098 6.474 4.492
115 HE21 GLN 12 2HE2 GLN 12 2.427 3.766 4.753
116 HE22 GLN 12 1HE2 GLN 12 2.097 3.294 6.412
117 H LEU 13 H LEU 13 -3.093 7.778 4.199
118 HA LEU 13 HA LEU 13 -5.405 6.412 3.310
119 HB2 LEU 13 2HB LEU 13 -4.995 9.281 4.234
120 HB3 LEU 13 3HB LEU 13 -6.569 8.499 4.090
121 HG LEU 13 HG LEU 13 -4.358 7.384 5.896
122 HD11 LEU 13 1HD1 LEU 13 -6.622 9.261 6.650
123 HD12 LEU 13 2HD1 LEU 13 -5.448 8.491 7.755
124 HD13 LEU 13 3HD1 LEU 13 -4.895 9.681 6.572
125 HD21 LEU 13 3HD2 LEU 13 -6.025 5.766 5.372
126 HD22 LEU 13 1HD2 LEU 13 -6.237 6.301 7.040
127 HD23 LEU 13 2HD2 LEU 13 -7.338 6.920 5.787
128 H GLN 14 H GLN 14 -3.635 8.997 1.694
129 HA GLN 14 HA GLN 14 -5.749 9.669 -0.196
130 HB2 GLN 14 2HB GLN 14 -2.778 10.148 -0.583
131 HB3 GLN 14 3HB GLN 14 -4.123 11.000 -1.330
132 HG2 GLN 14 2HG GLN 14 -3.241 11.095 1.564
133 HG3 GLN 14 3HG GLN 14 -3.078 12.383 0.385
134 HE21 GLN 14 2HE2 GLN 14 -4.432 12.313 3.034
135 HE22 GLN 14 1HE2 GLN 14 -6.091 12.846 2.708
136 H GLU 15 H GLU 15 -2.900 7.491 -0.260
137 HA GLU 15 HA GLU 15 -3.312 6.675 -3.026
138 HB2 GLU 15 2HB GLU 15 -1.779 5.231 -0.838
139 HB3 GLU 15 3HB GLU 15 -1.641 4.980 -2.575
140 HG2 GLU 15 2HG GLU 15 -0.763 7.385 -0.951
141 HG3 GLU 15 3HG GLU 15 0.251 6.262 -1.834
142 H LEU 16 H LEU 16 -4.408 5.469 0.101
143 HA LEU 16 HA LEU 16 -5.677 3.068 -0.847
144 HB2 LEU 16 2HB LEU 16 -6.054 4.877 1.562
145 HB3 LEU 16 3HB LEU 16 -7.019 3.430 1.318
146 HG LEU 16 HG LEU 16 -3.992 3.227 1.234
147 HD11 LEU 16 1HD1 LEU 16 -4.490 4.374 3.320
148 HD12 LEU 16 2HD1 LEU 16 -5.718 3.156 3.724
149 HD13 LEU 16 3HD1 LEU 16 -4.004 2.701 3.627
150 HD21 LEU 16 3HD2 LEU 16 -4.485 0.941 2.028
151 HD22 LEU 16 1HD2 LEU 16 -6.224 1.308 2.029
152 HD23 LEU 16 2HD2 LEU 16 -5.316 1.288 0.501
153 H GLU 17 H GLU 17 -7.142 6.353 -0.191
154 HA GLU 17 HA GLU 17 -9.571 5.472 -1.472
155 HB2 GLU 17 2HB GLU 17 -10.539 7.465 -1.045
156 HB3 GLU 17 3HB GLU 17 -9.431 7.205 0.304
157 HG2 GLU 17 2HG GLU 17 -7.898 8.881 -0.563
158 HG3 GLU 17 3HG GLU 17 -8.861 9.053 -2.036
159 H ALA 18 H ALA 18 -6.704 6.812 -2.897
160 HA ALA 18 HA ALA 18 -7.955 7.373 -5.470
161 HB1 ALA 18 1HB ALA 18 -5.851 8.445 -4.807
162 HB2 ALA 18 2HB ALA 18 -5.044 6.861 -4.726
163 HB3 ALA 18 3HB ALA 18 -5.632 7.485 -6.281
164 H THR 19 H THR 19 -6.072 4.515 -4.192
165 HA THR 19 HA THR 19 -6.472 3.092 -6.651
166 HB THR 19 HB THR 19 -4.614 2.701 -5.020
167 HG1 THR 19 1HG THR 19 -6.083 0.468 -5.968
168 HG21 THR 19 1HG2 THR 19 -6.389 0.581 -3.795
169 HG22 THR 19 2HG2 THR 19 -6.292 2.199 -3.060
170 HG23 THR 19 3HG2 THR 19 -4.835 1.243 -3.221
171 H PHE 20 H PHE 20 -8.467 3.396 -3.810
172 HA PHE 20 HA PHE 20 -10.353 1.328 -4.223
173 HB2 PHE 20 2HB PHE 20 -10.221 2.671 -2.217
174 HB3 PHE 20 3HB PHE 20 -10.540 4.140 -3.120
175 HD1 PHE 20 2HD PHE 20 -12.448 0.872 -3.218
176 HD2 PHE 20 1HD PHE 20 -12.420 5.025 -2.060
177 HE1 PHE 20 2HE PHE 20 -14.826 0.702 -2.553
178 HE2 PHE 20 1HE PHE 20 -14.805 4.853 -1.402
179 HZ PHE 20 HZ PHE 20 -16.013 2.693 -1.645
180 H GLN 21 H GLN 21 -9.809 4.245 -6.142
181 HA GLN 21 HA GLN 21 -12.422 4.147 -7.431
182 HB2 GLN 21 2HB GLN 21 -9.901 5.558 -8.358
183 HB3 GLN 21 3HB GLN 21 -11.552 5.874 -8.898
184 HG2 GLN 21 2HG GLN 21 -10.250 6.537 -6.254
185 HG3 GLN 21 3HG GLN 21 -10.968 7.639 -7.410
186 HE21 GLN 21 2HE2 GLN 21 -11.450 6.552 -4.410
187 HE22 GLN 21 1HE2 GLN 21 -13.218 6.484 -4.377
188 H ARG 22 H ARG 22 -9.177 2.929 -8.238
189 HA ARG 22 HA ARG 22 -10.058 1.831 -10.844
190 HB2 ARG 22 2HB ARG 22 -7.749 1.008 -11.057
191 HB3 ARG 22 3HB ARG 22 -7.829 2.746 -10.768
192 HG2 ARG 22 2HG ARG 22 -7.225 2.466 -8.460
193 HG3 ARG 22 3HG ARG 22 -7.233 0.698 -8.578
194 HD2 ARG 22 2HD ARG 22 -5.374 2.474 -10.199
195 HD3 ARG 22 3HD ARG 22 -4.969 1.899 -8.588
196 HE ARG 22 HE ARG 22 -5.246 0.246 -11.047
197 HH11 ARG 22 2HH1 ARG 22 -4.387 0.177 -7.575
198 HH12 ARG 22 1HH1 ARG 22 -3.458 -1.302 -7.863
199 HH21 ARG 22 2HH2 ARG 22 -4.076 -1.679 -11.108
200 HH22 ARG 22 1HH2 ARG 22 -3.326 -2.239 -9.612
201 H ASN 23 H ASN 23 -9.692 0.687 -7.570
202 HA ASN 23 HA ASN 23 -10.703 -1.996 -8.396
203 HB2 ASN 23 2HB ASN 23 -8.188 -1.974 -8.127
204 HB3 ASN 23 3HB ASN 23 -8.407 -1.491 -6.441
205 HD21 ASN 23 1HD2 ASN 23 -7.051 -3.818 -7.070
206 HD22 ASN 23 2HD2 ASN 23 -8.038 -5.211 -6.652
207 H HIS 24 H HIS 24 -12.682 -2.022 -7.502
208 HA HIS 24 HA HIS 24 -13.212 -0.701 -4.909
209 HB2 HIS 24 2HB HIS 24 -14.976 -2.035 -6.988
210 HB3 HIS 24 3HB HIS 24 -15.579 -1.440 -5.449
211 HD2 HIS 24 2HD HIS 24 -13.380 0.239 -8.272
212 HE1 HIS 24 1HE HIS 24 -16.474 2.950 -7.173
213 HE2 HIS 24 2HE HIS 24 -14.451 2.588 -8.689
214 H TYR 25 H TYR 25 -12.065 -3.752 -5.737
215 HA TYR 25 HA TYR 25 -12.853 -4.960 -3.175
216 HB2 TYR 25 2HB TYR 25 -13.783 -7.007 -4.383
217 HB3 TYR 25 3HB TYR 25 -14.789 -5.594 -4.268
218 HD1 TYR 25 1HD TYR 25 -15.458 -4.291 -6.205
219 HD2 TYR 25 2HD TYR 25 -12.921 -7.753 -6.629
220 HE1 TYR 25 1HE TYR 25 -15.842 -4.268 -8.660
221 HE2 TYR 25 2HE TYR 25 -13.314 -7.735 -9.086
222 HH TYR 25 HH TYR 25 -15.392 -5.278 -10.669
223 HA PRO 26 HA PRO 26 -8.680 -6.100 -4.919
224 HB2 PRO 26 2HB PRO 26 -7.040 -5.294 -2.905
225 HB3 PRO 26 3HB PRO 26 -7.670 -4.176 -4.138
226 HG2 PRO 26 2HG PRO 26 -8.806 -4.713 -1.383
227 HG3 PRO 26 3HG PRO 26 -8.413 -3.121 -2.115
228 HD2 PRO 26 2HD PRO 26 -10.949 -4.105 -2.181
229 HD3 PRO 26 3HD PRO 26 -10.270 -3.237 -3.592
230 H ASP 27 H ASP 27 -7.243 -7.707 -4.281
231 HA ASP 27 HA ASP 27 -8.290 -9.732 -2.335
232 HB2 ASP 27 2HB ASP 27 -8.740 -10.186 -4.790
233 HB3 ASP 27 3HB ASP 27 -6.998 -10.261 -5.031
234 H MET 28 H MET 28 -6.388 -11.488 -2.027
235 HA MET 28 HA MET 28 -4.312 -10.305 -0.557
236 HB2 MET 28 2HB MET 28 -3.155 -12.426 -0.650
237 HB3 MET 28 3HB MET 28 -4.879 -12.684 -0.404
238 HG2 MET 28 2HG MET 28 -5.186 -13.379 -2.697
239 HG3 MET 28 3HG MET 28 -3.557 -12.901 -3.143
240 HE1 MET 28 3HE MET 28 -1.483 -14.121 -2.947
241 HE2 MET 28 1HE MET 28 -1.500 -13.973 -1.178
242 HE3 MET 28 2HE MET 28 -1.194 -15.553 -1.929
243 H SER 29 H SER 29 -4.284 -10.844 -4.065
244 HA SER 29 HA SER 29 -1.438 -10.236 -4.318
245 HB2 SER 29 2HB SER 29 -3.584 -10.406 -6.467
246 HB3 SER 29 3HB SER 29 -1.829 -10.364 -6.726
247 HG SER 29 HG SER 29 -2.653 -12.510 -6.754
248 H THR 30 H THR 30 -4.498 -8.431 -4.859
249 HA THR 30 HA THR 30 -3.065 -6.064 -5.840
250 HB THR 30 HB THR 30 -5.543 -5.131 -5.616
251 HG1 THR 30 1HG THR 30 -6.186 -7.698 -6.393
252 HG21 THR 30 1HG2 THR 30 -4.545 -7.051 -7.769
253 HG22 THR 30 2HG2 THR 30 -4.305 -5.293 -7.719
254 HG23 THR 30 3HG2 THR 30 -5.932 -5.954 -7.951
255 H ARG 31 H ARG 31 -4.687 -7.009 -2.804
256 HA ARG 31 HA ARG 31 -4.369 -4.541 -1.419
257 HB2 ARG 31 2HB ARG 31 -4.130 -7.441 -0.479
258 HB3 ARG 31 3HB ARG 31 -4.186 -6.065 0.635
259 HG2 ARG 31 2HG ARG 31 -6.456 -5.498 -0.061
260 HG3 ARG 31 3HG ARG 31 -6.413 -6.733 -1.317
261 HD2 ARG 31 2HD ARG 31 -5.894 -8.384 0.674
262 HD3 ARG 31 3HD ARG 31 -6.579 -7.093 1.666
263 HE ARG 31 HE ARG 31 -8.492 -7.370 -0.251
264 HH11 ARG 31 2HH2 ARG 31 -6.890 -9.950 1.517
265 HH12 ARG 31 1HH2 ARG 31 -8.181 -11.069 1.190
266 HH21 ARG 31 2HH1 ARG 31 -9.994 -8.821 -0.684
267 HH22 ARG 31 1HH1 ARG 31 -9.948 -10.427 0.002
268 H GLU 32 H GLU 32 -2.004 -7.238 -1.830
269 HA GLU 32 HA GLU 32 0.137 -5.845 -0.487
270 HB2 GLU 32 2HB GLU 32 0.146 -8.094 -2.540
271 HB3 GLU 32 3HB GLU 32 1.613 -7.400 -1.846
272 HG2 GLU 32 2HG GLU 32 0.700 -7.912 0.452
273 HG3 GLU 32 3HG GLU 32 -0.584 -8.838 -0.321
274 H GLU 33 H GLU 33 -0.809 -5.966 -3.958
275 HA GLU 33 HA GLU 33 1.316 -4.557 -5.076
276 HB2 GLU 33 2HB GLU 33 -0.563 -5.553 -6.377
277 HB3 GLU 33 3HB GLU 33 -1.638 -4.290 -5.780
278 HG2 GLU 33 2HG GLU 33 -0.169 -2.577 -6.931
279 HG3 GLU 33 3HG GLU 33 0.685 -3.926 -7.677
280 H ILE 34 H ILE 34 -1.512 -3.038 -3.433
281 HA ILE 34 HA ILE 34 -0.380 -0.373 -3.911
282 HB ILE 34 HB ILE 34 -2.291 0.567 -3.197
283 HG12 ILE 34 2HG1 ILE 34 -4.052 -0.843 -1.792
284 HG13 ILE 34 3HG1 ILE 34 -2.614 -1.695 -1.243
285 HG21 ILE 34 1HG2 ILE 34 -4.116 -0.578 -4.220
286 HG22 ILE 34 2HG2 ILE 34 -2.681 -1.128 -5.085
287 HG23 ILE 34 3HG2 ILE 34 -3.459 -2.149 -3.840
288 HD11 ILE 34 3HD1 ILE 34 -3.185 1.310 -1.030
289 HD12 ILE 34 1HD1 ILE 34 -1.691 0.549 -0.454
290 HD13 ILE 34 2HD1 ILE 34 -3.224 0.119 0.287
291 H ALA 35 H ALA 35 -0.297 -2.714 -1.292
292 HA ALA 35 HA ALA 35 0.516 -0.889 0.784
293 HB1 ALA 35 1HB ALA 35 0.944 -2.987 2.021
294 HB2 ALA 35 2HB ALA 35 -0.636 -3.006 1.236
295 HB3 ALA 35 3HB ALA 35 0.724 -3.916 0.536
296 H VAL 36 H VAL 36 2.193 -2.703 -1.655
297 HA VAL 36 HA VAL 36 4.740 -3.024 -0.567
298 HB VAL 36 HB VAL 36 3.422 -3.103 -3.246
299 HG11 VAL 36 1HG1 VAL 36 5.402 -3.676 -4.506
300 HG12 VAL 36 2HG1 VAL 36 5.415 -1.987 -4.013
301 HG13 VAL 36 3HG1 VAL 36 6.445 -3.169 -3.154
302 HG21 VAL 36 3HG2 VAL 36 3.574 -5.010 -1.604
303 HG22 VAL 36 1HG2 VAL 36 4.184 -5.378 -3.223
304 HG23 VAL 36 2HG2 VAL 36 5.324 -5.052 -1.892
305 H TRP 37 H TRP 37 3.506 -0.133 -2.169
306 HA TRP 37 HA TRP 37 6.162 1.176 -1.779
307 HB2 TRP 37 2HB TRP 37 5.391 2.722 -3.607
308 HB3 TRP 37 3HB TRP 37 5.782 1.085 -4.078
309 HD1 TRP 37 1HD TRP 37 3.810 -0.547 -4.759
310 HE1 TRP 37 1HE TRP 37 1.400 -0.228 -5.413
311 HE3 TRP 37 3HE TRP 37 3.373 4.384 -3.553
312 HZ2 TRP 37 2HZ TRP 37 -0.539 1.985 -5.513
313 HZ3 TRP 37 3HZ TRP 37 1.228 5.596 -3.949
314 HH2 TRP 37 2HH TRP 37 -0.732 4.406 -4.888
315 H THR 38 H THR 38 3.385 0.962 -0.185
316 HA THR 38 HA THR 38 3.345 3.851 0.628
317 HB THR 38 HB THR 38 1.040 3.477 1.402
318 HG1 THR 38 1HG THR 38 0.844 1.193 -0.130
319 HG21 THR 38 1HG2 THR 38 1.440 4.367 -0.875
320 HG22 THR 38 2HG2 THR 38 -0.005 3.333 -0.840
321 HG23 THR 38 3HG2 THR 38 1.519 2.722 -1.526
322 H ASN 39 H ASN 39 4.706 1.098 1.646
323 HA ASN 39 HA ASN 39 5.407 0.219 3.586
324 HB2 ASN 39 2HB ASN 39 6.304 2.603 3.736
325 HB3 ASN 39 3HB ASN 39 4.982 2.931 4.852
326 HD21 ASN 39 1HD2 ASN 39 6.964 3.480 6.223
327 HD22 ASN 39 2HD2 ASN 39 7.663 2.152 7.138
328 H LEU 40 H LEU 40 2.888 -0.422 3.049
329 HA LEU 40 HA LEU 40 1.602 -0.793 5.735
330 HB2 LEU 40 2HB LEU 40 0.359 -0.640 2.959
331 HB3 LEU 40 3HB LEU 40 -0.527 -1.115 4.393
332 HG LEU 40 HG LEU 40 0.730 1.624 3.944
333 HD11 LEU 40 1HD1 LEU 40 -1.207 1.165 2.490
334 HD12 LEU 40 2HD1 LEU 40 -2.172 0.695 3.910
335 HD13 LEU 40 3HD1 LEU 40 -1.593 2.369 3.726
336 HD21 LEU 40 3HD2 LEU 40 -0.645 2.237 5.944
337 HD22 LEU 40 1HD2 LEU 40 -1.031 0.523 6.181
338 HD23 LEU 40 2HD2 LEU 40 0.648 1.099 6.329
339 H THR 41 H THR 41 0.033 -2.835 5.438
340 HA THR 41 HA THR 41 1.329 -5.014 3.899
341 HB THR 41 HB THR 41 2.128 -5.299 6.202
342 HG1 THR 41 1HG THR 41 1.526 -7.431 6.322
343 HG21 THR 41 1HG2 THR 41 0.562 -6.022 7.977
344 HG22 THR 41 2HG2 THR 41 -0.818 -5.628 6.931
345 HG23 THR 41 3HG2 THR 41 0.276 -4.344 7.502
346 H GLU 42 H GLU 42 -0.247 -6.860 3.568
347 HA GLU 42 HA GLU 42 -2.525 -5.769 2.297
348 HB2 GLU 42 2HB GLU 42 -3.206 -8.038 1.829
349 HB3 GLU 42 3HB GLU 42 -1.471 -7.849 1.597
350 HG2 GLU 42 2HG GLU 42 -1.031 -8.974 3.749
351 HG3 GLU 42 3HG GLU 42 -2.763 -9.109 4.056
352 H ALA 43 H ALA 43 -2.274 -7.048 5.568
353 HA ALA 43 HA ALA 43 -5.083 -7.253 6.115
354 HB1 ALA 43 1HB ALA 43 -3.335 -8.369 7.451
355 HB2 ALA 43 2HB ALA 43 -2.731 -6.790 8.006
356 HB3 ALA 43 3HB ALA 43 -4.357 -7.335 8.465
357 H ARG 44 H ARG 44 -2.792 -4.516 6.450
358 HA ARG 44 HA ARG 44 -4.615 -2.625 7.678
359 HB2 ARG 44 2HB ARG 44 -2.270 -2.164 5.786
360 HB3 ARG 44 3HB ARG 44 -3.096 -0.897 6.659
361 HG2 ARG 44 2HG ARG 44 -1.707 -3.178 8.102
362 HG3 ARG 44 3HG ARG 44 -0.874 -1.695 7.618
363 HD2 ARG 44 2HD ARG 44 -2.417 -0.334 8.955
364 HD3 ARG 44 3HD ARG 44 -3.342 -1.779 9.377
365 HE ARG 44 HE ARG 44 -1.606 -2.560 10.771
366 HH11 ARG 44 1HH1 ARG 44 -0.797 0.687 9.643
367 HH12 ARG 44 2HH1 ARG 44 0.682 0.695 10.560
368 HH21 ARG 44 2HH2 ARG 44 0.207 -2.373 12.008
369 HH22 ARG 44 1HH2 ARG 44 1.169 -0.930 11.935
370 H VAL 45 H VAL 45 -3.810 -3.329 4.263
371 HA VAL 45 HA VAL 45 -5.664 -1.454 3.149
372 HB VAL 45 HB VAL 45 -4.737 -4.042 1.847
373 HG11 VAL 45 1HG1 VAL 45 -5.633 -1.359 0.703
374 HG12 VAL 45 2HG1 VAL 45 -5.003 -2.718 -0.242
375 HG13 VAL 45 3HG1 VAL 45 -6.538 -2.887 0.613
376 HG21 VAL 45 3HG2 VAL 45 -2.932 -2.568 0.866
377 HG22 VAL 45 1HG2 VAL 45 -3.369 -1.328 2.059
378 HG23 VAL 45 2HG2 VAL 45 -2.734 -2.900 2.577
379 H ARG 46 H ARG 46 -6.084 -4.962 3.871
380 HA ARG 46 HA ARG 46 -8.771 -5.188 2.993
381 HB2 ARG 46 2HB ARG 46 -7.047 -6.995 3.790
382 HB3 ARG 46 3HB ARG 46 -7.673 -6.688 5.408
383 HG2 ARG 46 2HG ARG 46 -9.974 -7.257 4.580
384 HG3 ARG 46 3HG ARG 46 -9.297 -7.525 2.961
385 HD2 ARG 46 2HD ARG 46 -7.760 -9.273 4.011
386 HD3 ARG 46 3HD ARG 46 -8.702 -9.084 5.503
387 HE ARG 46 HE ARG 46 -10.224 -9.664 3.037
388 HH11 ARG 46 2HH1 ARG 46 -8.683 -11.172 5.801
389 HH12 ARG 46 1HH1 ARG 46 -9.667 -12.604 5.685
390 HH21 ARG 46 2HH2 ARG 46 -11.504 -11.497 3.002
391 HH22 ARG 46 1HH2 ARG 46 -11.197 -12.785 4.125
392 H VAL 47 H VAL 47 -7.569 -4.338 6.241
393 HA VAL 47 HA VAL 47 -10.115 -3.914 7.497
394 HB VAL 47 HB VAL 47 -7.315 -2.867 8.060
395 HG11 VAL 47 1HG1 VAL 47 -8.810 -1.215 9.059
396 HG12 VAL 47 2HG1 VAL 47 -9.807 -2.505 9.776
397 HG13 VAL 47 3HG1 VAL 47 -8.133 -2.242 10.321
398 HG21 VAL 47 3HG2 VAL 47 -7.802 -5.324 8.363
399 HG22 VAL 47 1HG2 VAL 47 -7.358 -4.498 9.858
400 HG23 VAL 47 2HG2 VAL 47 -9.068 -4.891 9.522
401 H TRP 48 H TRP 48 -7.938 -1.611 5.781
402 HA TRP 48 HA TRP 48 -9.544 0.685 6.264
403 HB2 TRP 48 2HB TRP 48 -7.164 0.636 5.454
404 HB3 TRP 48 3HB TRP 48 -7.762 0.175 3.863
405 HD1 TRP 48 1HD TRP 48 -7.429 3.095 6.237
406 HE1 TRP 48 1HE TRP 48 -8.118 5.279 5.088
407 HE3 TRP 48 3HE TRP 48 -9.441 1.165 1.938
408 HZ2 TRP 48 2HZ TRP 48 -9.288 6.094 2.590
409 HZ3 TRP 48 3HZ TRP 48 -10.408 2.661 0.223
410 HH2 TRP 48 2HH TRP 48 -10.385 5.112 0.552
411 H PHE 49 H PHE 49 -9.494 -1.472 3.367
412 HA PHE 49 HA PHE 49 -11.634 -0.152 2.001
413 HB2 PHE 49 2HB PHE 49 -10.278 -2.841 1.803
414 HB3 PHE 49 3HB PHE 49 -11.785 -2.585 0.953
415 HD1 PHE 49 2HD PHE 49 -8.368 -0.984 1.329
416 HD2 PHE 49 1HD PHE 49 -11.846 -1.581 -1.156
417 HE1 PHE 49 2HE PHE 49 -7.228 0.163 -0.541
418 HE2 PHE 49 1HE PHE 49 -10.684 -0.470 -3.011
419 HZ PHE 49 HZ PHE 49 -8.392 0.434 -2.720
420 H LYS 50 H LYS 50 -11.700 -2.681 4.490
421 HA LYS 50 HA LYS 50 -14.534 -3.300 4.291
422 HB2 LYS 50 2HB LYS 50 -12.779 -4.682 5.435
423 HB3 LYS 50 3HB LYS 50 -12.762 -3.492 6.749
424 HG2 LYS 50 2HG LYS 50 -15.308 -3.898 6.935
425 HG3 LYS 50 3HG LYS 50 -15.077 -5.248 5.818
426 HD2 LYS 50 2HD LYS 50 -13.849 -4.881 8.576
427 HD3 LYS 50 3HD LYS 50 -15.119 -6.028 8.114
428 HE2 LYS 50 2HE LYS 50 -13.480 -7.138 6.557
429 HE3 LYS 50 3HE LYS 50 -12.225 -6.033 7.142
430 HZ1 LYS 50 3HZ LYS 50 -13.707 -7.986 8.831
431 HZ2 LYS 50 1HZ LYS 50 -12.556 -6.968 9.381
432 HZ3 LYS 50 2HZ LYS 50 -12.165 -8.159 8.335
433 H ASN 51 H ASN 51 -12.713 -1.056 6.396
434 HA ASN 51 HA ASN 51 -15.060 0.142 7.599
435 HB2 ASN 51 2HB ASN 51 -12.138 0.965 7.355
436 HB3 ASN 51 3HB ASN 51 -13.341 2.050 8.045
437 HD21 ASN 51 1HD2 ASN 51 -11.687 -1.050 8.516
438 HD22 ASN 51 2HD2 ASN 51 -12.143 -1.171 10.216
439 H ARG 52 H ARG 52 -13.158 1.015 4.677
440 HA ARG 52 HA ARG 52 -14.593 3.416 4.225
441 HB2 ARG 52 2HB ARG 52 -12.327 2.708 3.222
442 HB3 ARG 52 3HB ARG 52 -13.226 1.726 2.082
443 HG2 ARG 52 2HG ARG 52 -12.651 3.891 1.060
444 HG3 ARG 52 3HG ARG 52 -14.390 3.686 1.162
445 HD2 ARG 52 2HD ARG 52 -14.503 5.176 3.112
446 HD3 ARG 52 3HD ARG 52 -12.745 5.308 3.148
447 HE ARG 52 HE ARG 52 -14.613 6.439 1.063
448 HH11 ARG 52 2HH2 ARG 52 -11.368 6.571 2.481
449 HH12 ARG 52 1HH2 ARG 52 -11.067 8.108 1.649
450 HH21 ARG 52 2HH1 ARG 52 -14.101 8.490 0.349
451 HH22 ARG 52 1HH1 ARG 52 -12.413 9.033 0.509
452 H ARG 53 H ARG 53 -15.284 0.142 2.993
453 HA ARG 53 HA ARG 53 -17.591 0.883 1.415
454 HB2 ARG 53 2HB ARG 53 -16.709 -1.650 2.844
455 HB3 ARG 53 3HB ARG 53 -18.262 -1.560 1.998
456 HG2 ARG 53 2HG ARG 53 -17.238 -1.066 -0.100
457 HG3 ARG 53 3HG ARG 53 -15.633 -0.846 0.623
458 HD2 ARG 53 2HD ARG 53 -15.376 -3.130 1.102
459 HD3 ARG 53 3HD ARG 53 -17.098 -3.461 0.977
460 HE ARG 53 HE ARG 53 -15.201 -3.011 -1.304
461 HH11 ARG 53 2HH1 ARG 53 -18.435 -4.008 -0.351
462 HH12 ARG 53 1HH1 ARG 53 -18.848 -4.483 -1.975
463 HH21 ARG 53 1HH2 ARG 53 -15.810 -3.563 -3.303
464 HH22 ARG 53 2HH2 ARG 53 -17.390 -4.261 -3.609
465 H ALA 54 H ALA 54 -17.305 0.011 4.853
466 HA ALA 54 HA ALA 54 -20.106 0.318 5.433
467 HB1 ALA 54 1HB ALA 54 -18.482 -0.906 6.884
468 HB2 ALA 54 2HB ALA 54 -17.704 0.645 7.296
469 HB3 ALA 54 3HB ALA 54 -19.379 0.337 7.785
470 H LYS 55 H LYS 55 -17.487 2.727 5.422
471 HA LYS 55 HA LYS 55 -19.206 4.894 6.381
472 HB2 LYS 55 2HB LYS 55 -16.398 4.791 5.208
473 HB3 LYS 55 3HB LYS 55 -17.173 6.293 5.729
474 HG2 LYS 55 2HG LYS 55 -17.364 5.518 8.006
475 HG3 LYS 55 3HG LYS 55 -16.788 3.902 7.578
476 HD2 LYS 55 2HD LYS 55 -14.617 4.899 6.825
477 HD3 LYS 55 3HD LYS 55 -15.160 6.482 7.399
478 HE2 LYS 55 2HE LYS 55 -14.913 3.969 9.117
479 HE3 LYS 55 3HE LYS 55 -13.654 5.201 8.974
480 HZ1 LYS 55 3HZ LYS 55 -16.377 5.676 10.071
481 HZ2 LYS 55 1HZ LYS 55 -15.223 6.825 9.901
482 HZ3 LYS 55 2HZ LYS 55 -15.002 5.589 10.939
483 H TRP 56 H TRP 56 -18.147 3.777 3.183
484 HA TRP 56 HA TRP 56 -18.901 5.934 1.549
485 HB2 TRP 56 2HB TRP 56 -17.734 4.255 0.445
486 HB3 TRP 56 3HB TRP 56 -18.633 2.964 1.225
487 HD1 TRP 56 1HD TRP 56 -19.589 5.735 -1.255
488 HE1 TRP 56 1HE TRP 56 -21.232 4.759 -3.024
489 HE3 TRP 56 3HE TRP 56 -19.856 0.963 0.477
490 HZ2 TRP 56 2HZ TRP 56 -22.628 2.311 -3.439
491 HZ3 TRP 56 3HZ TRP 56 -21.349 -0.706 -0.627
492 HH2 TRP 56 2HH TRP 56 -22.751 -0.038 -2.569
493 H ARG 57 H ARG 57 -20.894 3.248 2.744
494 HA ARG 57 HA ARG 57 -23.290 3.920 1.394
495 HB2 ARG 57 2HB ARG 57 -22.648 2.377 3.938
496 HB3 ARG 57 3HB ARG 57 -24.316 2.487 3.309
497 HG2 ARG 57 2HG ARG 57 -23.604 1.490 1.175
498 HG3 ARG 57 3HG ARG 57 -21.925 1.501 1.712
499 HD2 ARG 57 2HD ARG 57 -22.703 -0.739 2.001
500 HD3 ARG 57 3HD ARG 57 -22.476 -0.009 3.586
501 HE ARG 57 HE ARG 57 -24.751 -0.199 4.014
502 HH11 ARG 57 2HH2 ARG 57 -24.344 -0.756 0.574
503 HH12 ARG 57 1HH2 ARG 57 -25.996 -1.277 0.377
504 HH21 ARG 57 2HH1 ARG 57 -26.840 -0.859 3.681
505 HH22 ARG 57 1HH1 ARG 57 -27.364 -1.328 2.091
506 H LYS 58 H LYS 58 -22.034 5.440 4.253
507 HA LYS 58 HA LYS 58 -24.565 6.925 4.800
508 HB2 LYS 58 2HB LYS 58 -21.786 7.089 6.045
509 HB3 LYS 58 3HB LYS 58 -23.107 8.172 6.445
510 HG2 LYS 58 2HG LYS 58 -22.986 6.538 8.143
511 HG3 LYS 58 3HG LYS 58 -24.479 6.264 7.242
512 HD2 LYS 58 2HD LYS 58 -23.579 4.306 6.173
513 HD3 LYS 58 3HD LYS 58 -21.924 4.725 6.677
514 HE2 LYS 58 2HE LYS 58 -22.523 4.351 9.028
515 HE3 LYS 58 3HE LYS 58 -24.190 3.966 8.572
516 HZ1 LYS 58 3HZ LYS 58 -21.839 2.458 7.561
517 HZ2 LYS 58 1HZ LYS 58 -23.409 2.034 7.401
518 HZ3 LYS 58 2HZ LYS 58 -22.709 1.983 8.876
519 H ARG 59 H ARG 59 -21.533 7.403 3.141
520 HA ARG 59 HA ARG 59 -21.892 10.321 2.761
521 HB2 ARG 59 2HB ARG 59 -19.721 8.315 2.045
522 HB3 ARG 59 3HB ARG 59 -19.633 10.033 1.628
523 HG2 ARG 59 2HG ARG 59 -19.578 10.703 3.930
524 HG3 ARG 59 3HG ARG 59 -20.015 9.092 4.498
525 HD2 ARG 59 2HD ARG 59 -17.636 9.485 4.871
526 HD3 ARG 59 3HD ARG 59 -17.916 8.155 3.750
527 HE ARG 59 HE ARG 59 -16.755 9.293 2.110
528 HH11 ARG 59 2HH2 ARG 59 -17.528 11.753 4.501
529 HH12 ARG 59 1HH2 ARG 59 -16.585 12.945 3.647
530 HH21 ARG 59 2HH1 ARG 59 -15.690 10.740 1.128
531 HH22 ARG 59 1HH1 ARG 59 -15.530 12.388 1.741
532 H GLU 60 H GLU 60 -22.371 7.440 0.937
533 HA GLU 60 HA GLU 60 -22.862 6.879 -1.164
534 HB2 GLU 60 2HB GLU 60 -24.442 9.466 -1.085
535 HB3 GLU 60 3HB GLU 60 -24.558 8.263 -2.377
536 HG2 GLU 60 2HG GLU 60 -25.195 6.520 -0.757
537 HG3 GLU 60 3HG GLU 60 -25.102 7.685 0.566
538 H GLU 61 H GLU 61 -20.379 7.676 -0.946
539 HA GLU 61 HA GLU 61 -19.369 9.765 -2.511
540 HB2 GLU 61 2HB GLU 61 -18.015 7.054 -2.151
541 HB3 GLU 61 3HB GLU 61 -17.249 8.595 -2.508
542 HG2 GLU 61 2HG GLU 61 -18.168 9.448 -0.286
543 HG3 GLU 61 3HG GLU 61 -18.641 7.781 0.067
544 H PHE 62 H PHE 62 -20.132 6.480 -3.579
545 HA PHE 62 HA PHE 62 -20.243 7.393 -6.399
546 HB2 PHE 62 2HB PHE 62 -18.196 6.073 -6.119
547 HB3 PHE 62 3HB PHE 62 -19.098 4.770 -5.362
548 HD1 PHE 62 2HD PHE 62 -18.750 6.676 -8.578
549 HD2 PHE 62 1HD PHE 62 -20.188 3.087 -6.663
550 HE1 PHE 62 2HE PHE 62 -19.279 5.698 -10.800
551 HE2 PHE 62 1HE PHE 62 -20.706 2.110 -8.887
552 HZ PHE 62 HZ PHE 62 -20.260 3.417 -10.958
553 H ILE 63 H ILE 63 -22.032 6.787 -7.445
554 HA ILE 63 HA ILE 63 -23.822 4.639 -6.534
555 HB ILE 63 HB ILE 63 -24.710 7.523 -6.960
556 HG12 ILE 63 2HG1 ILE 63 -23.889 7.132 -4.675
557 HG13 ILE 63 3HG1 ILE 63 -25.592 7.512 -4.732
558 HG21 ILE 63 1HG2 ILE 63 -26.417 5.019 -6.677
559 HG22 ILE 63 2HG2 ILE 63 -27.032 6.675 -6.497
560 HG23 ILE 63 3HG2 ILE 63 -26.366 6.156 -8.040
561 HD11 ILE 63 3HD1 ILE 63 -25.047 5.735 -3.082
562 HD12 ILE 63 1HD1 ILE 63 -24.522 4.672 -4.394
563 HD13 ILE 63 2HD1 ILE 63 -26.217 5.194 -4.293
564 H VAL 64 H VAL 64 -24.746 3.622 -8.304
565 HA VAL 64 HA VAL 64 -23.699 4.294 -10.957
566 HB VAL 64 HB VAL 64 -25.691 2.147 -10.155
567 HG11 VAL 64 1HG1 VAL 64 -24.967 1.069 -12.288
568 HG12 VAL 64 2HG1 VAL 64 -25.803 2.594 -12.560
569 HG13 VAL 64 3HG1 VAL 64 -24.027 2.522 -12.688
570 HG21 VAL 64 3HG2 VAL 64 -23.506 1.807 -9.022
571 HG22 VAL 64 1HG2 VAL 64 -23.734 0.609 -10.299
572 HG23 VAL 64 2HG2 VAL 64 -22.666 2.004 -10.573
573 H THR 65 H THR 65 -24.622 5.644 -12.356
574 HA THR 65 HA THR 65 -27.391 6.582 -11.897
575 HB THR 65 HB THR 65 -26.719 8.460 -13.403
576 HG1 THR 65 1HG THR 65 -25.101 7.594 -14.626
577 HG21 THR 65 1HG2 THR 65 -25.206 9.535 -11.829
578 HG22 THR 65 2HG2 THR 65 -24.775 7.969 -11.110
579 HG23 THR 65 3HG2 THR 65 -26.426 8.605 -10.937
580 H ASP 66 H ASP 66 -25.941 4.368 -13.909
581 HA ASP 66 HA ASP 66 -27.357 4.762 -16.395
582 HB2 ASP 66 2HB ASP 66 -25.240 3.535 -16.226
583 HB3 ASP 66 3HB ASP 66 -26.005 2.305 -15.226
Start of MODEL 2
1 H1 GLY -1 1H GLY -1 -0.577 18.195 30.025
2 H2 GLY -1 2H GLY -1 -0.821 19.447 28.996
3 H3 GLY -1 3H GLY -1 0.275 19.583 30.206
4 HA2 GLY -1 2HA GLY -1 1.403 19.242 28.109
5 HA3 GLY -1 3HA GLY -1 1.682 17.902 29.236
6 H SER 0 H SER 0 1.778 17.947 26.270
7 HA SER 0 HA SER 0 -0.521 16.700 25.143
8 HB2 SER 0 2HB SER 0 2.363 16.597 24.188
9 HB3 SER 0 3HB SER 0 0.918 16.231 23.224
10 HG SER 0 HG SER 0 1.651 18.389 22.905
11 H GLN 1 H GLN 1 -1.037 14.609 24.632
12 HA GLN 1 HA GLN 1 0.034 12.471 26.296
13 HB2 GLN 1 2HB GLN 1 -2.066 12.459 24.090
14 HB3 GLN 1 3HB GLN 1 -1.662 11.080 25.123
15 HG2 GLN 1 2HG GLN 1 -2.302 12.391 27.137
16 HG3 GLN 1 3HG GLN 1 -2.759 13.751 26.111
17 HE21 GLN 1 2HE2 GLN 1 -4.760 13.099 27.639
18 HE22 GLN 1 1HE2 GLN 1 -5.939 12.087 26.821
19 H ARG 2 H ARG 2 0.991 10.536 25.605
20 HA ARG 2 HA ARG 2 2.816 10.906 23.271
21 HB2 ARG 2 2HB ARG 2 3.181 9.025 25.619
22 HB3 ARG 2 3HB ARG 2 4.396 9.563 24.461
23 HG2 ARG 2 2HG ARG 2 3.056 11.236 26.623
24 HG3 ARG 2 3HG ARG 2 4.719 10.670 26.608
25 HD2 ARG 2 2HD ARG 2 5.322 12.164 24.811
26 HD3 ARG 2 3HD ARG 2 3.638 12.539 24.464
27 HE ARG 2 HE ARG 2 3.454 13.935 26.298
28 HH11 ARG 2 2HH2 ARG 2 6.690 12.564 26.326
29 HH12 ARG 2 1HH2 ARG 2 7.257 13.716 27.502
30 HH21 ARG 2 2HH1 ARG 2 4.238 15.346 27.776
31 HH22 ARG 2 1HH1 ARG 2 5.897 15.259 28.302
32 H ARG 3 H ARG 3 0.114 9.093 23.897
33 HA ARG 3 HA ARG 3 0.791 6.644 22.463
34 HB2 ARG 3 2HB ARG 3 -1.612 6.167 22.575
35 HB3 ARG 3 3HB ARG 3 -0.962 6.624 24.148
36 HG2 ARG 3 2HG ARG 3 -1.925 8.883 23.932
37 HG3 ARG 3 3HG ARG 3 -2.513 8.507 22.302
38 HD2 ARG 3 2HD ARG 3 -3.979 6.771 23.185
39 HD3 ARG 3 3HD ARG 3 -3.347 7.020 24.825
40 HE ARG 3 HE ARG 3 -4.204 9.501 24.359
41 HH11 ARG 3 2HH2 ARG 3 -5.988 6.545 23.694
42 HH12 ARG 3 1HH2 ARG 3 -7.520 7.357 23.869
43 HH21 ARG 3 2HH1 ARG 3 -6.077 10.419 24.562
44 HH22 ARG 3 1HH1 ARG 3 -7.584 9.540 24.350
45 H GLN 4 H GLN 4 -0.240 5.941 20.497
46 HA GLN 4 HA GLN 4 -1.035 8.056 18.544
47 HB2 GLN 4 2HB GLN 4 0.981 5.826 18.073
48 HB3 GLN 4 3HB GLN 4 0.238 6.774 16.788
49 HG2 GLN 4 2HG GLN 4 1.960 7.970 19.009
50 HG3 GLN 4 3HG GLN 4 2.552 7.489 17.427
51 HE21 GLN 4 2HE2 GLN 4 0.449 9.867 19.102
52 HE22 GLN 4 1HE2 GLN 4 0.444 10.993 17.743
53 H ARG 5 H ARG 5 -3.156 7.590 18.596
54 HA ARG 5 HA ARG 5 -4.188 4.863 18.637
55 HB2 ARG 5 2HB ARG 5 -6.358 5.875 18.793
56 HB3 ARG 5 3HB ARG 5 -5.246 6.711 19.873
57 HG2 ARG 5 2HG ARG 5 -5.031 8.562 18.196
58 HG3 ARG 5 3HG ARG 5 -6.177 7.715 17.138
59 HD2 ARG 5 2HD ARG 5 -7.906 7.843 18.900
60 HD3 ARG 5 3HD ARG 5 -6.763 8.702 19.957
61 HE ARG 5 HE ARG 5 -6.911 10.107 17.491
62 HH11 ARG 5 2HH2 ARG 5 -9.037 9.483 20.206
63 HH12 ARG 5 1HH2 ARG 5 -9.928 10.962 19.967
64 HH21 ARG 5 2HH1 ARG 5 -8.087 11.976 17.243
65 HH22 ARG 5 1HH1 ARG 5 -9.398 12.332 18.329
66 H THR 6 H THR 6 -3.416 6.991 16.047
67 HA THR 6 HA THR 6 -5.289 5.757 14.146
68 HB THR 6 HB THR 6 -3.181 7.861 13.571
69 HG1 THR 6 1HG THR 6 -4.840 9.334 13.968
70 HG21 THR 6 1HG2 THR 6 -5.851 7.179 12.239
71 HG22 THR 6 2HG2 THR 6 -4.237 6.875 11.556
72 HG23 THR 6 3HG2 THR 6 -4.786 8.532 11.796
73 H HIS 7 H HIS 7 -4.813 4.283 12.609
74 HA HIS 7 HA HIS 7 -2.202 2.933 12.760
75 HB2 HIS 7 2HB HIS 7 -4.814 2.174 11.414
76 HB3 HIS 7 3HB HIS 7 -3.384 1.153 11.496
77 HD2 HIS 7 2HD HIS 7 -6.434 2.075 13.481
78 HE1 HIS 7 1HE HIS 7 -3.955 -0.068 16.212
79 HE2 HIS 7 2HE HIS 7 -6.277 0.908 15.840
80 H PHE 8 H PHE 8 -3.247 5.387 10.818
81 HA PHE 8 HA PHE 8 -1.514 4.642 8.505
82 HB2 PHE 8 2HB PHE 8 -4.252 5.949 8.361
83 HB3 PHE 8 3HB PHE 8 -3.177 5.631 7.006
84 HD1 PHE 8 1HD PHE 8 -5.517 4.115 9.434
85 HD2 PHE 8 2HD PHE 8 -2.915 3.392 6.074
86 HE1 PHE 8 1HE PHE 8 -6.537 1.867 9.131
87 HE2 PHE 8 2HE PHE 8 -3.979 1.171 5.735
88 HZ PHE 8 HZ PHE 8 -5.758 0.391 7.296
89 H THR 9 H THR 9 -0.923 6.532 7.180
90 HA THR 9 HA THR 9 -0.648 9.063 8.755
91 HB THR 9 HB THR 9 1.172 9.702 7.498
92 HG1 THR 9 1HG THR 9 1.817 8.617 5.609
93 HG21 THR 9 1HG2 THR 9 1.729 7.767 8.984
94 HG22 THR 9 2HG2 THR 9 2.809 7.927 7.582
95 HG23 THR 9 3HG2 THR 9 1.539 6.688 7.586
96 H SER 10 H SER 10 -1.025 11.099 7.690
97 HA SER 10 HA SER 10 -3.364 11.273 6.124
98 HB2 SER 10 2HB SER 10 -1.189 13.365 6.272
99 HB3 SER 10 3HB SER 10 -2.925 13.589 5.951
100 HG SER 10 HG SER 10 -2.376 14.073 8.134
101 H GLN 11 H GLN 11 -0.265 10.353 4.987
102 HA GLN 11 HA GLN 11 -0.847 11.159 2.184
103 HB2 GLN 11 2HB GLN 11 1.384 11.628 3.174
104 HB3 GLN 11 3HB GLN 11 1.643 9.890 3.379
105 HG2 GLN 11 2HG GLN 11 1.487 9.568 0.928
106 HG3 GLN 11 3HG GLN 11 1.105 11.280 0.712
107 HE21 GLN 11 2HE2 GLN 11 3.710 9.035 1.827
108 HE22 GLN 11 1HE2 GLN 11 5.002 10.179 1.493
109 H GLN 12 H GLN 12 -0.373 8.200 4.205
110 HA GLN 12 HA GLN 12 -0.568 6.265 2.096
111 HB2 GLN 12 2HB GLN 12 -1.345 6.157 5.041
112 HB3 GLN 12 3HB GLN 12 -1.350 4.748 3.964
113 HG2 GLN 12 2HG GLN 12 1.007 4.946 3.536
114 HG3 GLN 12 3HG GLN 12 1.129 6.419 4.491
115 HE21 GLN 12 2HE2 GLN 12 2.390 3.697 4.810
116 HE22 GLN 12 1HE2 GLN 12 2.008 3.225 6.457
117 H LEU 13 H LEU 13 -3.040 7.734 4.171
118 HA LEU 13 HA LEU 13 -5.369 6.425 3.278
119 HB2 LEU 13 2HB LEU 13 -4.919 9.307 4.141
120 HB3 LEU 13 3HB LEU 13 -6.503 8.544 4.015
121 HG LEU 13 HG LEU 13 -4.297 7.439 5.820
122 HD11 LEU 13 1HD1 LEU 13 -5.340 8.575 7.682
123 HD12 LEU 13 2HD1 LEU 13 -4.811 9.750 6.475
124 HD13 LEU 13 3HD1 LEU 13 -6.537 9.335 6.594
125 HD21 LEU 13 3HD2 LEU 13 -6.184 6.396 7.009
126 HD22 LEU 13 1HD2 LEU 13 -7.285 6.999 5.749
127 HD23 LEU 13 2HD2 LEU 13 -5.986 5.823 5.353
128 H GLN 14 H GLN 14 -3.567 8.967 1.626
129 HA GLN 14 HA GLN 14 -5.665 9.688 -0.250
130 HB2 GLN 14 2HB GLN 14 -2.680 10.042 -0.664
131 HB3 GLN 14 3HB GLN 14 -3.990 10.921 -1.440
132 HG2 GLN 14 2HG GLN 14 -3.135 11.058 1.460
133 HG3 GLN 14 3HG GLN 14 -2.901 12.307 0.249
134 HE21 GLN 14 2HE2 GLN 14 -4.324 12.316 2.888
135 HE22 GLN 14 1HE2 GLN 14 -5.948 12.919 2.512
136 H GLU 15 H GLU 15 -2.925 7.397 -0.325
137 HA GLU 15 HA GLU 15 -3.381 6.596 -3.092
138 HB2 GLU 15 2HB GLU 15 -1.830 5.135 -0.929
139 HB3 GLU 15 3HB GLU 15 -1.715 4.892 -2.669
140 HG2 GLU 15 2HG GLU 15 -0.803 7.293 -1.049
141 HG3 GLU 15 3HG GLU 15 0.196 6.164 -1.940
142 H LEU 16 H LEU 16 -4.516 5.471 0.046
143 HA LEU 16 HA LEU 16 -5.780 3.044 -0.875
144 HB2 LEU 16 2HB LEU 16 -6.127 4.848 1.541
145 HB3 LEU 16 3HB LEU 16 -7.078 3.390 1.308
146 HG LEU 16 HG LEU 16 -4.049 3.224 1.186
147 HD11 LEU 16 1HD1 LEU 16 -4.559 4.362 3.290
148 HD12 LEU 16 2HD1 LEU 16 -5.738 3.095 3.697
149 HD13 LEU 16 3HD1 LEU 16 -4.014 2.703 3.574
150 HD21 LEU 16 3HD2 LEU 16 -6.247 1.277 2.014
151 HD22 LEU 16 1HD2 LEU 16 -5.361 1.265 0.472
152 HD23 LEU 16 2HD2 LEU 16 -4.505 0.934 1.988
153 H GLU 17 H GLU 17 -7.201 6.334 -0.208
154 HA GLU 17 HA GLU 17 -9.700 5.563 -1.436
155 HB2 GLU 17 2HB GLU 17 -10.442 7.760 -1.172
156 HB3 GLU 17 3HB GLU 17 -9.459 7.393 0.242
157 HG2 GLU 17 2HG GLU 17 -7.593 8.708 -0.710
158 HG3 GLU 17 3HG GLU 17 -8.533 9.027 -2.164
159 H ALA 18 H ALA 18 -6.742 6.782 -2.923
160 HA ALA 18 HA ALA 18 -7.990 7.328 -5.484
161 HB1 ALA 18 1HB ALA 18 -5.089 6.753 -4.761
162 HB2 ALA 18 2HB ALA 18 -5.673 7.381 -6.315
163 HB3 ALA 18 3HB ALA 18 -5.864 8.354 -4.847
164 H THR 19 H THR 19 -6.156 4.442 -4.222
165 HA THR 19 HA THR 19 -6.581 2.991 -6.669
166 HB THR 19 HB THR 19 -4.744 2.611 -4.969
167 HG1 THR 19 1HG THR 19 -6.191 0.363 -5.904
168 HG21 THR 19 1HG2 THR 19 -5.029 1.129 -3.185
169 HG22 THR 19 2HG2 THR 19 -6.584 0.511 -3.799
170 HG23 THR 19 3HG2 THR 19 -6.465 2.122 -3.046
171 H PHE 20 H PHE 20 -8.542 3.335 -3.793
172 HA PHE 20 HA PHE 20 -10.459 1.283 -4.163
173 HB2 PHE 20 2HB PHE 20 -10.258 2.709 -2.184
174 HB3 PHE 20 3HB PHE 20 -10.703 4.130 -3.099
175 HD1 PHE 20 1HD PHE 20 -13.087 4.335 -3.976
176 HD2 PHE 20 2HD PHE 20 -11.888 1.299 -1.180
177 HE1 PHE 20 1HE PHE 20 -15.471 3.933 -3.392
178 HE2 PHE 20 2HE PHE 20 -14.265 0.865 -0.618
179 HZ PHE 20 HZ PHE 20 -16.064 2.191 -1.719
180 H GLN 21 H GLN 21 -9.985 4.306 -6.009
181 HA GLN 21 HA GLN 21 -12.589 4.228 -7.268
182 HB2 GLN 21 2HB GLN 21 -10.060 5.562 -8.295
183 HB3 GLN 21 3HB GLN 21 -11.714 5.919 -8.788
184 HG2 GLN 21 2HG GLN 21 -10.315 6.574 -6.198
185 HG3 GLN 21 3HG GLN 21 -10.992 7.687 -7.366
186 HE21 GLN 21 2HE2 GLN 21 -11.473 6.761 -4.340
187 HE22 GLN 21 1HE2 GLN 21 -13.239 6.810 -4.266
188 H ARG 22 H ARG 22 -9.388 2.948 -8.212
189 HA ARG 22 HA ARG 22 -10.444 1.926 -10.785
190 HB2 ARG 22 2HB ARG 22 -8.238 1.111 -11.243
191 HB3 ARG 22 3HB ARG 22 -8.142 2.796 -10.735
192 HG2 ARG 22 2HG ARG 22 -7.285 2.176 -8.569
193 HG3 ARG 22 3HG ARG 22 -7.622 0.461 -8.840
194 HD2 ARG 22 2HD ARG 22 -5.959 0.437 -10.684
195 HD3 ARG 22 3HD ARG 22 -5.533 2.114 -10.289
196 HE ARG 22 HE ARG 22 -5.146 1.133 -7.894
197 HH11 ARG 22 2HH1 ARG 22 -4.212 -0.767 -10.758
198 HH12 ARG 22 1HH1 ARG 22 -3.185 -1.763 -9.715
199 HH21 ARG 22 2HH2 ARG 22 -3.876 -0.220 -6.834
200 HH22 ARG 22 1HH2 ARG 22 -2.978 -1.471 -7.736
201 H ASN 23 H ASN 23 -9.910 0.702 -7.555
202 HA ASN 23 HA ASN 23 -10.945 -1.963 -8.399
203 HB2 ASN 23 2HB ASN 23 -8.419 -1.889 -8.220
204 HB3 ASN 23 3HB ASN 23 -8.589 -1.484 -6.512
205 HD21 ASN 23 1HD2 ASN 23 -7.208 -3.747 -7.244
206 HD22 ASN 23 2HD2 ASN 23 -8.157 -5.176 -6.864
207 H HIS 24 H HIS 24 -12.932 -1.851 -7.492
208 HA HIS 24 HA HIS 24 -13.366 -0.696 -4.817
209 HB2 HIS 24 2HB HIS 24 -15.207 -1.892 -6.917
210 HB3 HIS 24 3HB HIS 24 -15.761 -1.348 -5.342
211 HD2 HIS 24 2HD HIS 24 -13.652 0.356 -8.216
212 HE1 HIS 24 1HE HIS 24 -16.482 3.183 -6.764
213 HE2 HIS 24 2HE HIS 24 -14.611 2.773 -8.453
214 H TYR 25 H TYR 25 -12.275 -3.697 -5.805
215 HA TYR 25 HA TYR 25 -13.009 -5.022 -3.294
216 HB2 TYR 25 2HB TYR 25 -13.921 -7.027 -4.589
217 HB3 TYR 25 3HB TYR 25 -14.946 -5.634 -4.388
218 HD1 TYR 25 2HD TYR 25 -13.041 -7.612 -6.888
219 HD2 TYR 25 1HD TYR 25 -15.685 -4.265 -6.238
220 HE1 TYR 25 2HE TYR 25 -13.473 -7.472 -9.335
221 HE2 TYR 25 1HE TYR 25 -16.109 -4.123 -8.684
222 HH TYR 25 HH TYR 25 -15.658 -5.007 -10.752
223 HA PRO 26 HA PRO 26 -8.831 -6.029 -5.095
224 HB2 PRO 26 2HB PRO 26 -7.183 -5.204 -3.104
225 HB3 PRO 26 3HB PRO 26 -7.867 -4.079 -4.301
226 HG2 PRO 26 2HG PRO 26 -8.940 -4.702 -1.536
227 HG3 PRO 26 3HG PRO 26 -8.595 -3.088 -2.239
228 HD2 PRO 26 2HD PRO 26 -11.109 -4.131 -2.294
229 HD3 PRO 26 3HD PRO 26 -10.470 -3.213 -3.691
230 H ASP 27 H ASP 27 -7.320 -7.593 -4.446
231 HA ASP 27 HA ASP 27 -8.370 -9.665 -2.552
232 HB2 ASP 27 2HB ASP 27 -8.793 -10.068 -5.023
233 HB3 ASP 27 3HB ASP 27 -7.048 -10.127 -5.248
234 H MET 28 H MET 28 -6.482 -11.415 -2.256
235 HA MET 28 HA MET 28 -4.450 -10.243 -0.729
236 HB2 MET 28 2HB MET 28 -3.304 -12.370 -0.779
237 HB3 MET 28 3HB MET 28 -5.037 -12.619 -0.592
238 HG2 MET 28 2HG MET 28 -5.271 -13.315 -2.892
239 HG3 MET 28 3HG MET 28 -3.635 -12.830 -3.291
240 HE1 MET 28 3HE MET 28 -1.620 -13.894 -1.293
241 HE2 MET 28 1HE MET 28 -1.291 -15.474 -2.035
242 HE3 MET 28 2HE MET 28 -1.565 -14.045 -3.062
243 H SER 29 H SER 29 -4.356 -10.735 -4.225
244 HA SER 29 HA SER 29 -1.497 -10.156 -4.426
245 HB2 SER 29 2HB SER 29 -3.605 -10.316 -6.610
246 HB3 SER 29 3HB SER 29 -1.846 -10.272 -6.841
247 HG SER 29 HG SER 29 -2.670 -12.418 -6.888
248 H THR 30 H THR 30 -4.548 -8.350 -5.032
249 HA THR 30 HA THR 30 -3.110 -5.985 -5.993
250 HB THR 30 HB THR 30 -5.585 -5.039 -5.784
251 HG1 THR 30 1HG THR 30 -6.248 -7.602 -6.544
252 HG21 THR 30 1HG2 THR 30 -5.975 -5.869 -8.108
253 HG22 THR 30 2HG2 THR 30 -4.604 -6.988 -7.919
254 HG23 THR 30 3HG2 THR 30 -4.338 -5.231 -7.882
255 H ARG 31 H ARG 31 -4.779 -6.898 -2.963
256 HA ARG 31 HA ARG 31 -4.443 -4.445 -1.570
257 HB2 ARG 31 2HB ARG 31 -4.173 -7.343 -0.631
258 HB3 ARG 31 3HB ARG 31 -4.266 -5.971 0.480
259 HG2 ARG 31 2HG ARG 31 -6.551 -5.497 -0.117
260 HG3 ARG 31 3HG ARG 31 -6.476 -6.581 -1.509
261 HD2 ARG 31 2HD ARG 31 -5.905 -8.445 0.186
262 HD3 ARG 31 3HD ARG 31 -6.519 -7.328 1.422
263 HE ARG 31 HE ARG 31 -8.525 -7.385 -0.483
264 HH11 ARG 31 2HH1 ARG 31 -6.861 -10.098 1.074
265 HH12 ARG 31 1HH1 ARG 31 -8.287 -11.094 0.932
266 HH21 ARG 31 2HH2 ARG 31 -10.127 -8.764 -0.783
267 HH22 ARG 31 1HH2 ARG 31 -10.118 -10.353 -0.051
268 H GLU 32 H GLU 32 -2.081 -7.149 -1.930
269 HA GLU 32 HA GLU 32 0.036 -5.761 -0.548
270 HB2 GLU 32 2HB GLU 32 0.074 -8.065 -2.526
271 HB3 GLU 32 3HB GLU 32 1.527 -7.388 -1.774
272 HG2 GLU 32 2HG GLU 32 0.487 -7.777 0.484
273 HG3 GLU 32 3HG GLU 32 -0.808 -8.667 -0.304
274 H GLU 33 H GLU 33 -0.813 -5.906 -4.043
275 HA GLU 33 HA GLU 33 1.354 -4.510 -5.099
276 HB2 GLU 33 2HB GLU 33 -0.474 -5.504 -6.458
277 HB3 GLU 33 3HB GLU 33 -1.578 -4.245 -5.904
278 HG2 GLU 33 2HG GLU 33 -0.129 -2.519 -6.997
279 HG3 GLU 33 3HG GLU 33 0.860 -3.823 -7.648
280 H ILE 34 H ILE 34 -1.485 -2.997 -3.473
281 HA ILE 34 HA ILE 34 -0.346 -0.323 -3.931
282 HB ILE 34 HB ILE 34 -2.266 0.615 -3.198
283 HG12 ILE 34 2HG1 ILE 34 -4.061 -0.868 -1.898
284 HG13 ILE 34 3HG1 ILE 34 -2.630 -1.719 -1.338
285 HG21 ILE 34 1HG2 ILE 34 -3.429 -2.069 -3.963
286 HG22 ILE 34 2HG2 ILE 34 -4.052 -0.476 -4.314
287 HG23 ILE 34 3HG2 ILE 34 -2.588 -1.028 -5.147
288 HD11 ILE 34 3HD1 ILE 34 -1.760 0.470 -0.419
289 HD12 ILE 34 1HD1 ILE 34 -3.342 0.040 0.218
290 HD13 ILE 34 2HD1 ILE 34 -3.217 1.272 -1.049
291 H ALA 35 H ALA 35 -0.296 -2.687 -1.341
292 HA ALA 35 HA ALA 35 0.496 -0.873 0.752
293 HB1 ALA 35 1HB ALA 35 0.870 -2.978 1.998
294 HB2 ALA 35 2HB ALA 35 -0.690 -2.989 1.175
295 HB3 ALA 35 3HB ALA 35 0.684 -3.903 0.509
296 H VAL 36 H VAL 36 2.194 -2.684 -1.664
297 HA VAL 36 HA VAL 36 4.720 -3.050 -0.534
298 HB VAL 36 HB VAL 36 3.450 -3.101 -3.237
299 HG11 VAL 36 1HG1 VAL 36 5.482 -2.017 -3.956
300 HG12 VAL 36 2HG1 VAL 36 6.470 -3.222 -3.080
301 HG13 VAL 36 3HG1 VAL 36 5.445 -3.704 -4.457
302 HG21 VAL 36 3HG2 VAL 36 4.172 -5.388 -3.204
303 HG22 VAL 36 1HG2 VAL 36 5.298 -5.086 -1.856
304 HG23 VAL 36 2HG2 VAL 36 3.546 -5.019 -1.593
305 H TRP 37 H TRP 37 3.549 -0.138 -2.142
306 HA TRP 37 HA TRP 37 6.218 1.136 -1.713
307 HB2 TRP 37 2HB TRP 37 5.481 2.703 -3.544
308 HB3 TRP 37 3HB TRP 37 5.874 1.067 -4.013
309 HD1 TRP 37 1HD TRP 37 3.910 -0.559 -4.733
310 HE1 TRP 37 1HE TRP 37 1.518 -0.223 -5.451
311 HE3 TRP 37 3HE TRP 37 3.465 4.377 -3.536
312 HZ2 TRP 37 2HZ TRP 37 -0.389 2.003 -5.637
313 HZ3 TRP 37 3HZ TRP 37 1.343 5.605 -4.016
314 HH2 TRP 37 2HH TRP 37 -0.586 4.425 -5.036
315 H THR 38 H THR 38 3.434 0.957 -0.135
316 HA THR 38 HA THR 38 3.412 3.853 0.656
317 HB THR 38 HB THR 38 1.088 3.490 1.408
318 HG1 THR 38 1HG THR 38 0.872 1.223 -0.134
319 HG21 THR 38 1HG2 THR 38 1.598 2.739 -1.517
320 HG22 THR 38 2HG2 THR 38 1.522 4.385 -0.863
321 HG23 THR 38 3HG2 THR 38 0.071 3.359 -0.846
322 H ASN 39 H ASN 39 4.770 1.132 1.722
323 HA ASN 39 HA ASN 39 5.414 0.250 3.685
324 HB2 ASN 39 2HB ASN 39 6.293 2.630 3.888
325 HB3 ASN 39 3HB ASN 39 4.913 2.960 4.932
326 HD21 ASN 39 1HD2 ASN 39 6.686 3.512 6.495
327 HD22 ASN 39 2HD2 ASN 39 7.393 2.191 7.413
328 H LEU 40 H LEU 40 2.899 -0.387 3.042
329 HA LEU 40 HA LEU 40 1.531 -0.792 5.683
330 HB2 LEU 40 2HB LEU 40 0.359 -0.662 2.880
331 HB3 LEU 40 3HB LEU 40 -0.556 -1.105 4.304
332 HG LEU 40 HG LEU 40 0.713 1.623 3.816
333 HD11 LEU 40 1HD1 LEU 40 -2.196 0.711 3.735
334 HD12 LEU 40 2HD1 LEU 40 -1.595 2.372 3.509
335 HD13 LEU 40 3HD1 LEU 40 -1.196 1.122 2.325
336 HD21 LEU 40 3HD2 LEU 40 -0.687 2.309 5.752
337 HD22 LEU 40 1HD2 LEU 40 -1.155 0.626 6.010
338 HD23 LEU 40 2HD2 LEU 40 0.540 1.127 6.223
339 H THR 41 H THR 41 0.021 -2.847 5.354
340 HA THR 41 HA THR 41 1.346 -5.024 3.826
341 HB THR 41 HB THR 41 2.143 -5.267 6.134
342 HG1 THR 41 1HG THR 41 1.569 -7.400 6.298
343 HG21 THR 41 1HG2 THR 41 0.268 -4.299 7.409
344 HG22 THR 41 2HG2 THR 41 0.597 -5.956 7.929
345 HG23 THR 41 3HG2 THR 41 -0.795 -5.625 6.879
346 H GLU 42 H GLU 42 -0.265 -6.956 3.647
347 HA GLU 42 HA GLU 42 -2.618 -6.083 2.331
348 HB2 GLU 42 2HB GLU 42 -1.819 -8.300 1.905
349 HB3 GLU 42 3HB GLU 42 -1.938 -8.763 3.617
350 HG2 GLU 42 2HG GLU 42 -4.367 -8.622 3.566
351 HG3 GLU 42 3HG GLU 42 -4.330 -7.922 1.947
352 H ALA 43 H ALA 43 -2.212 -7.037 5.749
353 HA ALA 43 HA ALA 43 -4.983 -7.143 6.385
354 HB1 ALA 43 1HB ALA 43 -2.590 -6.621 8.203
355 HB2 ALA 43 2HB ALA 43 -4.207 -7.152 8.714
356 HB3 ALA 43 3HB ALA 43 -3.207 -8.215 7.704
357 H ARG 44 H ARG 44 -2.694 -4.399 6.516
358 HA ARG 44 HA ARG 44 -4.484 -2.429 7.659
359 HB2 ARG 44 2HB ARG 44 -2.133 -2.235 5.721
360 HB3 ARG 44 3HB ARG 44 -3.012 -0.829 6.256
361 HG2 ARG 44 2HG ARG 44 -1.497 -2.707 8.112
362 HG3 ARG 44 3HG ARG 44 -0.926 -1.148 7.506
363 HD2 ARG 44 2HD ARG 44 -3.337 -0.373 8.487
364 HD3 ARG 44 3HD ARG 44 -3.040 -1.756 9.533
365 HE ARG 44 HE ARG 44 -1.754 0.870 9.533
366 HH11 ARG 44 2HH1 ARG 44 -1.125 -2.425 10.590
367 HH12 ARG 44 1HH1 ARG 44 0.056 -1.890 11.754
368 HH21 ARG 44 2HH2 ARG 44 -0.324 1.451 10.964
369 HH22 ARG 44 1HH2 ARG 44 0.518 0.283 11.966
370 H VAL 45 H VAL 45 -3.826 -3.365 4.274
371 HA VAL 45 HA VAL 45 -5.692 -1.463 3.169
372 HB VAL 45 HB VAL 45 -4.733 -4.036 1.858
373 HG11 VAL 45 1HG1 VAL 45 -6.588 -2.941 0.647
374 HG12 VAL 45 2HG1 VAL 45 -5.730 -1.386 0.720
375 HG13 VAL 45 3HG1 VAL 45 -5.072 -2.728 -0.232
376 HG21 VAL 45 3HG2 VAL 45 -2.994 -2.497 0.841
377 HG22 VAL 45 1HG2 VAL 45 -3.453 -1.278 2.051
378 HG23 VAL 45 2HG2 VAL 45 -2.757 -2.827 2.550
379 H ARG 46 H ARG 46 -6.053 -4.952 3.916
380 HA ARG 46 HA ARG 46 -8.765 -5.262 3.121
381 HB2 ARG 46 2HB ARG 46 -7.039 -7.045 3.767
382 HB3 ARG 46 3HB ARG 46 -7.370 -6.647 5.457
383 HG2 ARG 46 2HG ARG 46 -9.831 -7.159 4.962
384 HG3 ARG 46 3HG ARG 46 -9.318 -7.766 3.384
385 HD2 ARG 46 2HD ARG 46 -8.344 -8.787 6.090
386 HD3 ARG 46 3HD ARG 46 -9.635 -9.526 5.131
387 HE ARG 46 HE ARG 46 -7.284 -9.373 3.511
388 HH11 ARG 46 2HH1 ARG 46 -8.460 -11.173 6.279
389 HH12 ARG 46 1HH1 ARG 46 -7.477 -12.562 5.909
390 HH21 ARG 46 2HH2 ARG 46 -6.027 -11.189 3.106
391 HH22 ARG 46 1HH2 ARG 46 -6.156 -12.566 4.170
392 H VAL 47 H VAL 47 -7.450 -4.306 6.319
393 HA VAL 47 HA VAL 47 -9.959 -3.868 7.630
394 HB VAL 47 HB VAL 47 -7.149 -2.818 8.083
395 HG11 VAL 47 1HG1 VAL 47 -8.568 -1.079 9.037
396 HG12 VAL 47 2HG1 VAL 47 -9.561 -2.307 9.865
397 HG13 VAL 47 3HG1 VAL 47 -7.861 -2.054 10.321
398 HG21 VAL 47 3HG2 VAL 47 -7.160 -4.356 9.952
399 HG22 VAL 47 1HG2 VAL 47 -8.895 -4.703 9.732
400 HG23 VAL 47 2HG2 VAL 47 -7.713 -5.253 8.535
401 H TRP 48 H TRP 48 -7.889 -1.554 5.784
402 HA TRP 48 HA TRP 48 -9.521 0.711 6.309
403 HB2 TRP 48 2HB TRP 48 -7.161 0.685 5.426
404 HB3 TRP 48 3HB TRP 48 -7.806 0.212 3.858
405 HD1 TRP 48 1HD TRP 48 -7.360 3.147 6.183
406 HE1 TRP 48 1HE TRP 48 -8.045 5.333 5.033
407 HE3 TRP 48 3HE TRP 48 -9.573 1.215 1.979
408 HZ2 TRP 48 2HZ TRP 48 -9.367 6.149 2.604
409 HZ3 TRP 48 3HZ TRP 48 -10.580 2.719 0.294
410 HH2 TRP 48 2HH TRP 48 -10.523 5.179 0.612
411 H PHE 49 H PHE 49 -9.555 -1.523 3.503
412 HA PHE 49 HA PHE 49 -11.774 -0.254 2.147
413 HB2 PHE 49 2HB PHE 49 -10.296 -2.876 1.898
414 HB3 PHE 49 3HB PHE 49 -11.817 -2.655 1.068
415 HD1 PHE 49 2HD PHE 49 -8.437 -0.976 1.402
416 HD2 PHE 49 1HD PHE 49 -11.931 -1.645 -1.047
417 HE1 PHE 49 2HE PHE 49 -7.332 0.164 -0.499
418 HE2 PHE 49 1HE PHE 49 -10.820 -0.518 -2.918
419 HZ PHE 49 HZ PHE 49 -8.533 0.408 -2.660
420 H LYS 50 H LYS 50 -11.610 -2.819 4.613
421 HA LYS 50 HA LYS 50 -14.427 -3.527 4.491
422 HB2 LYS 50 2HB LYS 50 -12.707 -4.981 5.490
423 HB3 LYS 50 3HB LYS 50 -12.451 -3.807 6.793
424 HG2 LYS 50 2HG LYS 50 -14.782 -4.140 7.561
425 HG3 LYS 50 3HG LYS 50 -15.105 -5.187 6.174
426 HD2 LYS 50 2HD LYS 50 -14.790 -6.552 8.128
427 HD3 LYS 50 3HD LYS 50 -13.434 -6.825 7.024
428 HE2 LYS 50 2HE LYS 50 -12.005 -5.331 8.385
429 HE3 LYS 50 3HE LYS 50 -13.374 -4.954 9.441
430 HZ1 LYS 50 3HZ LYS 50 -12.173 -7.657 9.119
431 HZ2 LYS 50 1HZ LYS 50 -13.433 -7.300 10.095
432 HZ3 LYS 50 2HZ LYS 50 -11.960 -6.679 10.409
433 H ASN 51 H ASN 51 -12.626 -1.236 6.557
434 HA ASN 51 HA ASN 51 -14.926 -0.111 7.872
435 HB2 ASN 51 2HB ASN 51 -12.094 0.847 7.334
436 HB3 ASN 51 3HB ASN 51 -13.296 1.952 7.994
437 HD21 ASN 51 1HD2 ASN 51 -11.504 -1.035 8.648
438 HD22 ASN 51 2HD2 ASN 51 -11.837 -0.996 10.381
439 H ARG 52 H ARG 52 -13.479 0.598 4.680
440 HA ARG 52 HA ARG 52 -15.046 2.920 4.171
441 HB2 ARG 52 2HB ARG 52 -13.008 1.512 2.855
442 HB3 ARG 52 3HB ARG 52 -14.343 1.178 1.815
443 HG2 ARG 52 2HG ARG 52 -13.036 3.162 1.116
444 HG3 ARG 52 3HG ARG 52 -14.699 3.622 1.477
445 HD2 ARG 52 2HD ARG 52 -12.782 5.149 2.339
446 HD3 ARG 52 3HD ARG 52 -14.101 4.750 3.448
447 HE ARG 52 HE ARG 52 -11.906 2.863 3.650
448 HH11 ARG 52 2HH1 ARG 52 -12.654 6.096 4.730
449 HH12 ARG 52 1HH1 ARG 52 -11.825 5.871 6.244
450 HH21 ARG 52 2HH2 ARG 52 -11.023 2.575 5.558
451 HH22 ARG 52 1HH2 ARG 52 -10.868 3.893 6.703
452 H ARG 53 H ARG 53 -15.780 -0.456 3.375
453 HA ARG 53 HA ARG 53 -18.402 0.093 2.221
454 HB2 ARG 53 2HB ARG 53 -16.999 -2.365 3.312
455 HB3 ARG 53 3HB ARG 53 -18.721 -2.415 2.966
456 HG2 ARG 53 2HG ARG 53 -17.378 -3.285 1.132
457 HG3 ARG 53 3HG ARG 53 -18.411 -1.949 0.645
458 HD2 ARG 53 2HD ARG 53 -16.663 -0.548 0.146
459 HD3 ARG 53 3HD ARG 53 -15.607 -1.209 1.374
460 HE ARG 53 HE ARG 53 -15.801 -2.115 -1.378
461 HH11 ARG 53 2HH1 ARG 53 -14.711 -3.031 1.820
462 HH12 ARG 53 1HH1 ARG 53 -13.905 -4.469 1.236
463 HH21 ARG 53 2HH2 ARG 53 -14.515 -3.751 -2.072
464 HH22 ARG 53 1HH2 ARG 53 -13.769 -4.848 -0.920
465 H ALA 54 H ALA 54 -17.296 -0.587 5.533
466 HA ALA 54 HA ALA 54 -19.921 -0.631 6.703
467 HB1 ALA 54 1HB ALA 54 -17.276 0.151 8.001
468 HB2 ALA 54 2HB ALA 54 -18.743 -0.391 8.826
469 HB3 ALA 54 3HB ALA 54 -17.852 -1.523 7.786
470 H LYS 55 H LYS 55 -17.729 2.076 5.980
471 HA LYS 55 HA LYS 55 -19.406 4.102 7.234
472 HB2 LYS 55 2HB LYS 55 -16.988 4.163 5.387
473 HB3 LYS 55 3HB LYS 55 -17.802 5.638 5.924
474 HG2 LYS 55 2HG LYS 55 -17.355 5.180 8.225
475 HG3 LYS 55 3HG LYS 55 -16.752 3.559 7.883
476 HD2 LYS 55 2HD LYS 55 -14.895 4.549 6.539
477 HD3 LYS 55 3HD LYS 55 -15.446 6.173 6.981
478 HE2 LYS 55 2HE LYS 55 -14.631 3.994 8.958
479 HE3 LYS 55 3HE LYS 55 -13.534 5.244 8.360
480 HZ1 LYS 55 3HZ LYS 55 -15.007 6.924 9.348
481 HZ2 LYS 55 1HZ LYS 55 -14.471 5.891 10.490
482 HZ3 LYS 55 2HZ LYS 55 -15.999 5.765 9.939
483 H TRP 56 H TRP 56 -19.046 2.920 3.896
484 HA TRP 56 HA TRP 56 -20.563 4.843 2.494
485 HB2 TRP 56 2HB TRP 56 -19.452 3.344 1.136
486 HB3 TRP 56 3HB TRP 56 -19.838 1.962 2.140
487 HD1 TRP 56 1HD TRP 56 -21.963 4.322 -0.066
488 HE1 TRP 56 1HE TRP 56 -23.673 2.869 -1.401
489 HE3 TRP 56 3HE TRP 56 -20.757 -0.288 1.768
490 HZ2 TRP 56 2HZ TRP 56 -24.353 0.119 -1.652
491 HZ3 TRP 56 3HZ TRP 56 -21.944 -2.320 0.965
492 HH2 TRP 56 2HH TRP 56 -23.738 -2.132 -0.746
493 H ARG 57 H ARG 57 -21.724 1.910 4.119
494 HA ARG 57 HA ARG 57 -24.419 2.001 3.327
495 HB2 ARG 57 2HB ARG 57 -22.961 0.851 5.728
496 HB3 ARG 57 3HB ARG 57 -24.701 0.562 5.481
497 HG2 ARG 57 2HG ARG 57 -24.255 -0.498 3.310
498 HG3 ARG 57 3HG ARG 57 -22.541 -0.097 3.445
499 HD2 ARG 57 2HD ARG 57 -22.735 -2.396 4.052
500 HD3 ARG 57 3HD ARG 57 -22.371 -1.467 5.504
501 HE ARG 57 HE ARG 57 -24.429 -2.044 6.410
502 HH11 ARG 57 1HH2 ARG 57 -24.554 -2.931 3.019
503 HH12 ARG 57 2HH2 ARG 57 -26.053 -3.795 3.211
504 HH21 ARG 57 2HH1 ARG 57 -26.345 -3.150 6.574
505 HH22 ARG 57 1HH1 ARG 57 -27.036 -3.909 5.171
506 H LYS 58 H LYS 58 -22.970 4.000 5.762
507 HA LYS 58 HA LYS 58 -25.445 4.783 7.120
508 HB2 LYS 58 2HB LYS 58 -22.634 5.939 7.031
509 HB3 LYS 58 3HB LYS 58 -23.950 6.813 7.787
510 HG2 LYS 58 2HG LYS 58 -22.721 5.631 9.463
511 HG3 LYS 58 3HG LYS 58 -24.371 5.009 9.370
512 HD2 LYS 58 2HD LYS 58 -23.625 3.002 8.229
513 HD3 LYS 58 3HD LYS 58 -21.991 3.681 8.024
514 HE2 LYS 58 2HE LYS 58 -21.654 3.672 10.453
515 HE3 LYS 58 3HE LYS 58 -23.302 3.082 10.715
516 HZ1 LYS 58 3HZ LYS 58 -22.728 1.034 9.619
517 HZ2 LYS 58 1HZ LYS 58 -21.564 1.306 10.734
518 HZ3 LYS 58 2HZ LYS 58 -21.270 1.599 9.140
519 H ARG 59 H ARG 59 -24.084 5.712 4.077
520 HA ARG 59 HA ARG 59 -26.164 7.862 3.771
521 HB2 ARG 59 2HB ARG 59 -23.272 7.883 2.801
522 HB3 ARG 59 3HB ARG 59 -24.477 9.106 2.400
523 HG2 ARG 59 2HG ARG 59 -23.428 8.512 5.204
524 HG3 ARG 59 3HG ARG 59 -22.950 9.860 4.175
525 HD2 ARG 59 2HD ARG 59 -25.229 10.761 4.204
526 HD3 ARG 59 3HD ARG 59 -25.799 9.401 5.163
527 HE ARG 59 HE ARG 59 -24.047 11.623 6.072
528 HH11 ARG 59 2HH1 ARG 59 -25.777 8.700 7.039
529 HH12 ARG 59 1HH1 ARG 59 -25.715 9.149 8.723
530 HH21 ARG 59 2HH2 ARG 59 -23.983 12.069 8.234
531 HH22 ARG 59 1HH2 ARG 59 -24.703 10.973 9.376
532 H GLU 60 H GLU 60 -24.744 5.065 2.356
533 HA GLU 60 HA GLU 60 -25.123 3.914 0.460
534 HB2 GLU 60 2HB GLU 60 -27.870 5.197 0.518
535 HB3 GLU 60 3HB GLU 60 -27.392 3.766 -0.404
536 HG2 GLU 60 2HG GLU 60 -26.797 2.604 1.723
537 HG3 GLU 60 3HG GLU 60 -27.382 4.000 2.632
538 H GLU 61 H GLU 61 -23.582 6.088 0.061
539 HA GLU 61 HA GLU 61 -24.260 7.824 -2.081
540 HB2 GLU 61 2HB GLU 61 -21.590 6.702 -1.137
541 HB3 GLU 61 3HB GLU 61 -21.717 7.946 -2.374
542 HG2 GLU 61 2HG GLU 61 -22.860 8.256 0.436
543 HG3 GLU 61 3HG GLU 61 -21.242 8.760 -0.024
544 H PHE 62 H PHE 62 -22.841 4.586 -2.202
545 HA PHE 62 HA PHE 62 -23.213 4.448 -5.161
546 HB2 PHE 62 2HB PHE 62 -20.988 3.819 -4.393
547 HB3 PHE 62 3HB PHE 62 -21.661 2.685 -3.231
548 HD1 PHE 62 1HD PHE 62 -21.452 3.402 -6.912
549 HD2 PHE 62 2HD PHE 62 -22.090 0.426 -3.852
550 HE1 PHE 62 1HE PHE 62 -21.429 1.616 -8.640
551 HE2 PHE 62 2HE PHE 62 -22.049 -1.355 -5.582
552 HZ PHE 62 HZ PHE 62 -21.729 -0.763 -7.976
553 H ILE 63 H ILE 63 -24.457 2.738 -6.038
554 HA ILE 63 HA ILE 63 -26.339 1.315 -4.211
555 HB ILE 63 HB ILE 63 -27.057 2.820 -6.750
556 HG12 ILE 63 2HG1 ILE 63 -26.873 4.331 -4.814
557 HG13 ILE 63 3HG1 ILE 63 -28.507 4.207 -5.425
558 HG21 ILE 63 1HG2 ILE 63 -29.413 2.101 -6.252
559 HG22 ILE 63 2HG2 ILE 63 -28.349 0.790 -6.752
560 HG23 ILE 63 3HG2 ILE 63 -28.770 0.974 -5.038
561 HD11 ILE 63 3HD1 ILE 63 -28.447 4.277 -2.966
562 HD12 ILE 63 1HD1 ILE 63 -27.491 2.787 -2.920
563 HD13 ILE 63 2HD1 ILE 63 -29.159 2.762 -3.536
564 H VAL 64 H VAL 64 -26.547 -0.774 -4.645
565 HA VAL 64 HA VAL 64 -24.965 -1.999 -6.799
566 HB VAL 64 HB VAL 64 -26.695 -3.284 -4.652
567 HG11 VAL 64 1HG1 VAL 64 -25.364 -5.323 -5.156
568 HG12 VAL 64 2HG1 VAL 64 -26.334 -4.822 -6.541
569 HG13 VAL 64 3HG1 VAL 64 -24.588 -4.477 -6.513
570 HG21 VAL 64 3HG2 VAL 64 -24.790 -2.030 -3.663
571 HG22 VAL 64 1HG2 VAL 64 -24.553 -3.772 -3.518
572 HG23 VAL 64 2HG2 VAL 64 -23.674 -2.864 -4.765
573 H THR 65 H THR 65 -25.736 -2.552 -8.735
574 HA THR 65 HA THR 65 -28.689 -2.630 -9.210
575 HB THR 65 HB THR 65 -28.118 -1.923 -11.517
576 HG1 THR 65 1HG THR 65 -26.022 -1.180 -11.898
577 HG21 THR 65 1HG2 THR 65 -28.695 -0.246 -9.759
578 HG22 THR 65 2HG2 THR 65 -27.599 0.395 -10.997
579 HG23 THR 65 3HG2 THR 65 -26.965 -0.057 -9.400
580 H ASP 66 H ASP 66 -25.942 -4.636 -9.304
581 HA ASP 66 HA ASP 66 -27.438 -6.813 -10.641
582 HB2 ASP 66 2HB ASP 66 -26.201 -5.710 -12.462
583 HB3 ASP 66 3HB ASP 66 -24.696 -5.863 -11.562
Start of MODEL 3
1 H1 GLY -1 1H GLY -1 11.066 4.794 24.568
2 H2 GLY -1 2H GLY -1 10.632 3.984 25.927
3 H3 GLY -1 3H GLY -1 12.045 4.815 25.880
4 HA2 GLY -1 2HA GLY -1 9.344 5.999 25.753
5 HA3 GLY -1 3HA GLY -1 10.420 6.038 27.161
6 H SER 0 H SER 0 10.313 8.341 27.121
7 HA SER 0 HA SER 0 10.936 10.452 26.645
8 HB2 SER 0 2HB SER 0 13.435 9.155 25.524
9 HB3 SER 0 3HB SER 0 13.263 10.838 26.046
10 HG SER 0 HG SER 0 13.000 8.506 27.668
11 H GLN 1 H GLN 1 9.301 9.265 24.552
12 HA GLN 1 HA GLN 1 9.791 11.242 22.392
13 HB2 GLN 1 2HB GLN 1 9.311 8.261 21.958
14 HB3 GLN 1 3HB GLN 1 9.156 9.495 20.700
15 HG2 GLN 1 2HG GLN 1 11.544 10.119 21.008
16 HG3 GLN 1 3HG GLN 1 11.721 8.837 22.208
17 HE21 GLN 1 2HE2 GLN 1 13.493 8.559 20.290
18 HE22 GLN 1 1HE2 GLN 1 13.004 7.347 19.113
19 H ARG 2 H ARG 2 7.908 11.758 21.166
20 HA ARG 2 HA ARG 2 5.430 11.821 22.680
21 HB2 ARG 2 2HB ARG 2 6.280 13.650 21.197
22 HB3 ARG 2 3HB ARG 2 5.978 12.626 19.788
23 HG2 ARG 2 2HG ARG 2 3.555 12.613 20.306
24 HG3 ARG 2 3HG ARG 2 3.857 13.562 21.779
25 HD2 ARG 2 2HD ARG 2 4.747 15.412 20.395
26 HD3 ARG 2 3HD ARG 2 4.454 14.454 18.926
27 HE ARG 2 HE ARG 2 2.014 14.621 20.377
28 HH11 ARG 2 2HH1 ARG 2 4.076 16.792 18.557
29 HH12 ARG 2 1HH1 ARG 2 2.753 17.847 18.139
30 HH21 ARG 2 2HH2 ARG 2 0.373 16.010 19.812
31 HH22 ARG 2 1HH2 ARG 2 0.713 17.408 18.836
32 H ARG 3 H ARG 3 3.480 10.821 22.268
33 HA ARG 3 HA ARG 3 3.488 8.127 21.222
34 HB2 ARG 3 2HB ARG 3 1.179 9.975 21.984
35 HB3 ARG 3 3HB ARG 3 1.004 8.266 21.579
36 HG2 ARG 3 2HG ARG 3 2.498 7.652 23.476
37 HG3 ARG 3 3HG ARG 3 2.637 9.364 23.917
38 HD2 ARG 3 2HD ARG 3 0.180 9.481 24.238
39 HD3 ARG 3 3HD ARG 3 0.032 7.773 23.834
40 HE ARG 3 HE ARG 3 1.053 8.966 26.330
41 HH11 ARG 3 2HH1 ARG 3 0.829 5.955 24.540
42 HH12 ARG 3 1HH1 ARG 3 1.113 4.992 25.963
43 HH21 ARG 3 2HH2 ARG 3 1.409 7.675 28.090
44 HH22 ARG 3 1HH2 ARG 3 1.431 5.944 27.915
45 H GLN 4 H GLN 4 2.336 7.242 19.498
46 HA GLN 4 HA GLN 4 1.354 9.040 17.334
47 HB2 GLN 4 2HB GLN 4 3.283 6.711 16.984
48 HB3 GLN 4 3HB GLN 4 2.396 7.466 15.663
49 HG2 GLN 4 2HG GLN 4 4.387 8.952 17.440
50 HG3 GLN 4 3HG GLN 4 4.779 8.206 15.902
51 HE21 GLN 4 2HE2 GLN 4 2.906 10.875 17.395
52 HE22 GLN 4 1HE2 GLN 4 2.748 11.768 15.880
53 H ARG 5 H ARG 5 -0.697 8.614 17.195
54 HA ARG 5 HA ARG 5 -1.779 5.848 17.547
55 HB2 ARG 5 2HB ARG 5 -3.903 6.857 17.984
56 HB3 ARG 5 3HB ARG 5 -2.692 7.500 19.072
57 HG2 ARG 5 2HG ARG 5 -2.759 9.631 18.179
58 HG3 ARG 5 3HG ARG 5 -3.226 9.097 16.561
59 HD2 ARG 5 2HD ARG 5 -5.064 8.889 18.963
60 HD3 ARG 5 3HD ARG 5 -5.030 10.299 17.878
61 HE ARG 5 HE ARG 5 -5.334 8.237 16.105
62 HH11 ARG 5 2HH2 ARG 5 -7.271 9.094 18.905
63 HH12 ARG 5 1HH2 ARG 5 -8.695 8.347 18.231
64 HH21 ARG 5 2HH1 ARG 5 -7.087 7.354 15.334
65 HH22 ARG 5 1HH1 ARG 5 -8.601 7.372 16.219
66 H THR 6 H THR 6 -3.826 5.474 16.305
67 HA THR 6 HA THR 6 -4.891 4.913 14.418
68 HB THR 6 HB THR 6 -3.694 7.333 13.050
69 HG1 THR 6 1HG THR 6 -5.522 8.364 13.756
70 HG21 THR 6 1HG2 THR 6 -4.849 5.908 11.432
71 HG22 THR 6 2HG2 THR 6 -5.859 7.301 11.797
72 HG23 THR 6 3HG2 THR 6 -6.240 5.731 12.533
73 H HIS 7 H HIS 7 -4.717 3.646 12.578
74 HA HIS 7 HA HIS 7 -2.116 2.365 12.258
75 HB2 HIS 7 2HB HIS 7 -4.867 1.767 11.121
76 HB3 HIS 7 3HB HIS 7 -3.445 0.765 10.851
77 HD2 HIS 7 2HD HIS 7 -6.219 1.249 13.307
78 HE1 HIS 7 1HE HIS 7 -3.371 -1.196 15.336
79 HE2 HIS 7 2HE HIS 7 -5.748 -0.283 15.401
80 H PHE 8 H PHE 8 -3.183 5.081 10.737
81 HA PHE 8 HA PHE 8 -1.616 4.545 8.285
82 HB2 PHE 8 2HB PHE 8 -4.337 5.887 8.278
83 HB3 PHE 8 3HB PHE 8 -3.305 5.558 6.888
84 HD1 PHE 8 1HD PHE 8 -3.009 3.250 6.042
85 HD2 PHE 8 2HD PHE 8 -5.728 4.152 9.261
86 HE1 PHE 8 1HE PHE 8 -4.078 1.015 5.772
87 HE2 PHE 8 2HE PHE 8 -6.756 1.900 9.032
88 HZ PHE 8 HZ PHE 8 -5.912 0.324 7.318
89 H THR 9 H THR 9 -1.024 6.484 7.121
90 HA THR 9 HA THR 9 -0.802 8.953 8.794
91 HB THR 9 HB THR 9 1.055 9.629 7.588
92 HG1 THR 9 1HG THR 9 1.741 8.570 5.694
93 HG21 THR 9 1HG2 THR 9 2.682 7.841 7.682
94 HG22 THR 9 2HG2 THR 9 1.402 6.610 7.629
95 HG23 THR 9 3HG2 THR 9 1.563 7.660 9.051
96 H SER 10 H SER 10 -1.134 11.027 7.757
97 HA SER 10 HA SER 10 -3.437 11.250 6.149
98 HB2 SER 10 2HB SER 10 -1.248 13.320 6.366
99 HB3 SER 10 3HB SER 10 -2.978 13.563 6.028
100 HG SER 10 HG SER 10 -2.450 14.005 8.226
101 H GLN 11 H GLN 11 -0.322 10.330 5.049
102 HA GLN 11 HA GLN 11 -0.858 11.175 2.248
103 HB2 GLN 11 2HB GLN 11 1.372 11.583 3.282
104 HB3 GLN 11 3HB GLN 11 1.590 9.835 3.453
105 HG2 GLN 11 2HG GLN 11 1.425 9.576 0.984
106 HG3 GLN 11 3HG GLN 11 1.145 11.313 0.818
107 HE21 GLN 11 2HE2 GLN 11 2.973 12.798 1.447
108 HE22 GLN 11 1HE2 GLN 11 4.609 12.161 1.364
109 H GLN 12 H GLN 12 -0.445 8.181 4.232
110 HA GLN 12 HA GLN 12 -0.641 6.285 2.087
111 HB2 GLN 12 2HB GLN 12 -1.411 6.125 5.027
112 HB3 GLN 12 3HB GLN 12 -1.412 4.733 3.929
113 HG2 GLN 12 2HG GLN 12 0.940 4.942 3.499
114 HG3 GLN 12 3HG GLN 12 1.058 6.411 4.465
115 HE21 GLN 12 2HE2 GLN 12 2.350 3.708 4.775
116 HE22 GLN 12 1HE2 GLN 12 1.983 3.246 6.432
117 H LEU 13 H LEU 13 -3.107 7.759 4.166
118 HA LEU 13 HA LEU 13 -5.439 6.442 3.278
119 HB2 LEU 13 2HB LEU 13 -4.968 9.308 4.187
120 HB3 LEU 13 3HB LEU 13 -6.560 8.567 4.045
121 HG LEU 13 HG LEU 13 -4.376 7.405 5.851
122 HD11 LEU 13 1HD1 LEU 13 -6.603 9.324 6.613
123 HD12 LEU 13 2HD1 LEU 13 -5.434 8.535 7.711
124 HD13 LEU 13 3HD1 LEU 13 -4.869 9.714 6.525
125 HD21 LEU 13 3HD2 LEU 13 -6.066 5.813 5.341
126 HD22 LEU 13 1HD2 LEU 13 -6.298 6.372 6.998
127 HD23 LEU 13 2HD2 LEU 13 -7.367 6.994 5.720
128 H GLN 14 H GLN 14 -3.629 8.989 1.650
129 HA GLN 14 HA GLN 14 -5.728 9.708 -0.235
130 HB2 GLN 14 2HB GLN 14 -2.744 10.091 -0.637
131 HB3 GLN 14 3HB GLN 14 -4.061 10.978 -1.390
132 HG2 GLN 14 2HG GLN 14 -3.185 11.068 1.509
133 HG3 GLN 14 3HG GLN 14 -2.959 12.335 0.318
134 HE21 GLN 14 2HE2 GLN 14 -4.350 12.330 2.959
135 HE22 GLN 14 1HE2 GLN 14 -5.979 12.935 2.608
136 H GLU 15 H GLU 15 -2.930 7.466 -0.319
137 HA GLU 15 HA GLU 15 -3.374 6.649 -3.082
138 HB2 GLU 15 2HB GLU 15 -1.843 5.200 -0.896
139 HB3 GLU 15 3HB GLU 15 -1.724 4.933 -2.632
140 HG2 GLU 15 2HG GLU 15 -0.809 7.351 -1.041
141 HG3 GLU 15 3HG GLU 15 0.190 6.206 -1.912
142 H LEU 16 H LEU 16 -4.463 5.459 0.061
143 HA LEU 16 HA LEU 16 -5.748 3.062 -0.879
144 HB2 LEU 16 2HB LEU 16 -6.110 4.862 1.542
145 HB3 LEU 16 3HB LEU 16 -7.040 3.390 1.307
146 HG LEU 16 HG LEU 16 -4.006 3.277 1.199
147 HD11 LEU 16 1HD1 LEU 16 -5.710 3.095 3.697
148 HD12 LEU 16 2HD1 LEU 16 -3.978 2.734 3.581
149 HD13 LEU 16 3HD1 LEU 16 -4.555 4.385 3.308
150 HD21 LEU 16 3HD2 LEU 16 -4.419 0.972 1.976
151 HD22 LEU 16 1HD2 LEU 16 -6.170 1.277 1.980
152 HD23 LEU 16 2HD2 LEU 16 -5.261 1.302 0.451
153 H GLU 17 H GLU 17 -7.171 6.354 -0.184
154 HA GLU 17 HA GLU 17 -9.635 5.490 -1.412
155 HB2 GLU 17 2HB GLU 17 -10.589 7.471 -0.944
156 HB3 GLU 17 3HB GLU 17 -9.461 7.205 0.386
157 HG2 GLU 17 2HG GLU 17 -7.934 8.884 -0.538
158 HG3 GLU 17 3HG GLU 17 -8.972 9.083 -1.954
159 H ALA 18 H ALA 18 -6.801 6.845 -2.887
160 HA ALA 18 HA ALA 18 -8.140 7.497 -5.393
161 HB1 ALA 18 1HB ALA 18 -6.022 8.558 -4.774
162 HB2 ALA 18 2HB ALA 18 -5.204 6.977 -4.768
163 HB3 ALA 18 3HB ALA 18 -5.845 7.647 -6.283
164 H THR 19 H THR 19 -6.216 4.616 -4.280
165 HA THR 19 HA THR 19 -6.657 3.240 -6.773
166 HB THR 19 HB THR 19 -4.783 2.886 -5.092
167 HG1 THR 19 1HG THR 19 -4.510 0.884 -5.958
168 HG21 THR 19 1HG2 THR 19 -6.539 0.660 -4.023
169 HG22 THR 19 2HG2 THR 19 -6.442 2.230 -3.185
170 HG23 THR 19 3HG2 THR 19 -4.987 1.280 -3.398
171 H PHE 20 H PHE 20 -8.526 3.419 -3.826
172 HA PHE 20 HA PHE 20 -10.443 1.380 -4.215
173 HB2 PHE 20 2HB PHE 20 -10.284 2.652 -2.178
174 HB3 PHE 20 3HB PHE 20 -10.584 4.157 -3.030
175 HD1 PHE 20 2HD PHE 20 -12.437 0.849 -2.913
176 HD2 PHE 20 1HD PHE 20 -12.557 5.111 -2.288
177 HE1 PHE 20 2HE PHE 20 -14.836 0.690 -2.327
178 HE2 PHE 20 1HE PHE 20 -14.973 4.953 -1.730
179 HZ PHE 20 HZ PHE 20 -16.112 2.743 -1.737
180 H GLN 21 H GLN 21 -10.080 4.458 -5.982
181 HA GLN 21 HA GLN 21 -12.740 4.393 -7.107
182 HB2 GLN 21 2HB GLN 21 -10.257 5.770 -8.197
183 HB3 GLN 21 3HB GLN 21 -11.927 6.120 -8.647
184 HG2 GLN 21 2HG GLN 21 -10.481 6.740 -6.074
185 HG3 GLN 21 3HG GLN 21 -11.218 7.865 -7.193
186 HE21 GLN 21 2HE2 GLN 21 -11.602 6.751 -4.185
187 HE22 GLN 21 1HE2 GLN 21 -13.371 6.750 -4.074
188 H ARG 22 H ARG 22 -9.611 3.146 -8.208
189 HA ARG 22 HA ARG 22 -10.768 2.141 -10.754
190 HB2 ARG 22 2HB ARG 22 -8.492 1.474 -11.310
191 HB3 ARG 22 3HB ARG 22 -8.617 3.192 -10.909
192 HG2 ARG 22 2HG ARG 22 -7.645 2.760 -8.679
193 HG3 ARG 22 3HG ARG 22 -7.585 1.023 -9.020
194 HD2 ARG 22 2HD ARG 22 -5.391 1.918 -9.320
195 HD3 ARG 22 3HD ARG 22 -6.031 1.483 -10.915
196 HE ARG 22 HE ARG 22 -6.590 4.249 -10.343
197 HH11 ARG 22 2HH1 ARG 22 -3.856 2.242 -11.217
198 HH12 ARG 22 1HH1 ARG 22 -3.012 3.565 -11.976
199 HH21 ARG 22 2HH2 ARG 22 -5.464 5.890 -11.334
200 HH22 ARG 22 1HH2 ARG 22 -3.903 5.573 -12.031
201 H ASN 23 H ASN 23 -9.998 0.894 -7.608
202 HA ASN 23 HA ASN 23 -11.034 -1.772 -8.443
203 HB2 ASN 23 2HB ASN 23 -8.508 -1.767 -8.369
204 HB3 ASN 23 3HB ASN 23 -8.590 -1.328 -6.665
205 HD21 ASN 23 1HD2 ASN 23 -7.272 -3.618 -7.317
206 HD22 ASN 23 2HD2 ASN 23 -8.238 -5.025 -6.898
207 H HIS 24 H HIS 24 -12.992 -1.648 -7.423
208 HA HIS 24 HA HIS 24 -13.297 -0.379 -4.798
209 HB2 HIS 24 2HB HIS 24 -15.202 -1.749 -6.722
210 HB3 HIS 24 3HB HIS 24 -15.697 -1.194 -5.130
211 HD2 HIS 24 2HD HIS 24 -13.812 0.552 -8.127
212 HE1 HIS 24 1HE HIS 24 -16.787 3.221 -6.660
213 HE2 HIS 24 2HE HIS 24 -14.937 2.898 -8.392
214 H TYR 25 H TYR 25 -12.307 -3.487 -5.721
215 HA TYR 25 HA TYR 25 -12.861 -4.650 -3.082
216 HB2 TYR 25 2HB TYR 25 -13.929 -6.691 -4.203
217 HB3 TYR 25 3HB TYR 25 -14.890 -5.260 -3.961
218 HD1 TYR 25 1HD TYR 25 -13.260 -7.363 -6.562
219 HD2 TYR 25 2HD TYR 25 -15.801 -3.968 -5.772
220 HE1 TYR 25 1HE TYR 25 -13.925 -7.299 -8.958
221 HE2 TYR 25 2HE TYR 25 -16.462 -3.903 -8.168
222 HH TYR 25 HH TYR 25 -16.217 -4.856 -10.241
223 HA PRO 26 HA PRO 26 -8.833 -5.888 -5.094
224 HB2 PRO 26 2HB PRO 26 -7.088 -5.113 -3.155
225 HB3 PRO 26 3HB PRO 26 -7.745 -3.982 -4.364
226 HG2 PRO 26 2HG PRO 26 -8.789 -4.482 -1.561
227 HG3 PRO 26 3HG PRO 26 -8.372 -2.906 -2.313
228 HD2 PRO 26 2HD PRO 26 -10.929 -3.812 -2.279
229 HD3 PRO 26 3HD PRO 26 -10.282 -2.982 -3.727
230 H ASP 27 H ASP 27 -7.351 -7.505 -4.452
231 HA ASP 27 HA ASP 27 -8.440 -9.516 -2.518
232 HB2 ASP 27 2HB ASP 27 -8.881 -9.940 -4.985
233 HB3 ASP 27 3HB ASP 27 -7.139 -10.051 -5.211
234 H MET 28 H MET 28 -6.601 -11.312 -2.205
235 HA MET 28 HA MET 28 -4.532 -10.179 -0.699
236 HB2 MET 28 2HB MET 28 -3.443 -12.337 -0.728
237 HB3 MET 28 3HB MET 28 -5.182 -12.538 -0.535
238 HG2 MET 28 2HG MET 28 -5.441 -13.251 -2.827
239 HG3 MET 28 3HG MET 28 -3.791 -12.816 -3.235
240 HE1 MET 28 3HE MET 28 -1.757 -14.084 -2.996
241 HE2 MET 28 1HE MET 28 -1.804 -13.912 -1.228
242 HE3 MET 28 2HE MET 28 -1.519 -15.508 -1.954
243 H SER 29 H SER 29 -4.454 -10.719 -4.190
244 HA SER 29 HA SER 29 -1.582 -10.209 -4.396
245 HB2 SER 29 2HB SER 29 -3.695 -10.332 -6.579
246 HB3 SER 29 3HB SER 29 -1.935 -10.334 -6.811
247 HG SER 29 HG SER 29 -2.812 -12.458 -6.844
248 H THR 30 H THR 30 -4.590 -8.337 -5.045
249 HA THR 30 HA THR 30 -3.098 -6.019 -6.017
250 HB THR 30 HB THR 30 -5.548 -5.004 -5.784
251 HG1 THR 30 1HG THR 30 -6.294 -7.535 -6.552
252 HG21 THR 30 1HG2 THR 30 -5.985 -5.819 -8.097
253 HG22 THR 30 2HG2 THR 30 -4.647 -6.981 -7.925
254 HG23 THR 30 3HG2 THR 30 -4.326 -5.235 -7.892
255 H ARG 31 H ARG 31 -4.754 -6.871 -2.968
256 HA ARG 31 HA ARG 31 -4.399 -4.410 -1.594
257 HB2 ARG 31 2HB ARG 31 -4.177 -7.303 -0.633
258 HB3 ARG 31 3HB ARG 31 -4.239 -5.924 0.470
259 HG2 ARG 31 2HG ARG 31 -6.515 -5.409 -0.118
260 HG3 ARG 31 3HG ARG 31 -6.469 -6.494 -1.511
261 HD2 ARG 31 2HD ARG 31 -5.926 -8.370 0.182
262 HD3 ARG 31 3HD ARG 31 -6.505 -7.241 1.422
263 HE ARG 31 HE ARG 31 -8.525 -7.259 -0.473
264 HH11 ARG 31 2HH2 ARG 31 -6.906 -9.998 1.083
265 HH12 ARG 31 1HH2 ARG 31 -8.353 -10.966 0.957
266 HH21 ARG 31 2HH1 ARG 31 -10.167 -8.593 -0.731
267 HH22 ARG 31 1HH1 ARG 31 -10.179 -10.186 -0.009
268 H GLU 32 H GLU 32 -2.078 -7.155 -1.879
269 HA GLU 32 HA GLU 32 0.052 -5.790 -0.492
270 HB2 GLU 32 2HB GLU 32 0.075 -8.103 -2.462
271 HB3 GLU 32 3HB GLU 32 1.526 -7.449 -1.689
272 HG2 GLU 32 2HG GLU 32 0.438 -7.827 0.555
273 HG3 GLU 32 3HG GLU 32 -0.847 -8.707 -0.261
274 H GLU 33 H GLU 33 -0.763 -5.980 -3.994
275 HA GLU 33 HA GLU 33 1.441 -4.581 -4.991
276 HB2 GLU 33 2HB GLU 33 -0.174 -5.749 -6.384
277 HB3 GLU 33 3HB GLU 33 -1.428 -4.563 -6.001
278 HG2 GLU 33 2HG GLU 33 -0.293 -2.818 -7.186
279 HG3 GLU 33 3HG GLU 33 1.170 -3.784 -7.344
280 H ILE 34 H ILE 34 -1.440 -3.077 -3.431
281 HA ILE 34 HA ILE 34 -0.305 -0.400 -3.958
282 HB ILE 34 HB ILE 34 -2.187 0.579 -3.221
283 HG12 ILE 34 2HG1 ILE 34 -4.019 -0.850 -1.914
284 HG13 ILE 34 3HG1 ILE 34 -2.604 -1.727 -1.350
285 HG21 ILE 34 1HG2 ILE 34 -2.576 -1.004 -5.187
286 HG22 ILE 34 2HG2 ILE 34 -3.402 -2.071 -4.021
287 HG23 ILE 34 3HG2 ILE 34 -4.027 -0.461 -4.319
288 HD11 ILE 34 3HD1 ILE 34 -3.133 1.277 -1.073
289 HD12 ILE 34 1HD1 ILE 34 -1.681 0.459 -0.463
290 HD13 ILE 34 2HD1 ILE 34 -3.251 0.048 0.206
291 H ALA 35 H ALA 35 -0.278 -2.738 -1.328
292 HA ALA 35 HA ALA 35 0.482 -0.910 0.756
293 HB1 ALA 35 1HB ALA 35 0.867 -2.985 2.021
294 HB2 ALA 35 2HB ALA 35 -0.664 -3.062 1.151
295 HB3 ALA 35 3HB ALA 35 0.761 -3.933 0.537
296 H VAL 36 H VAL 36 2.223 -2.732 -1.609
297 HA VAL 36 HA VAL 36 4.768 -3.038 -0.523
298 HB VAL 36 HB VAL 36 3.480 -3.066 -3.222
299 HG11 VAL 36 1HG1 VAL 36 5.496 -1.952 -3.931
300 HG12 VAL 36 2HG1 VAL 36 6.502 -3.141 -3.055
301 HG13 VAL 36 3HG1 VAL 36 5.500 -3.636 -4.442
302 HG21 VAL 36 3HG2 VAL 36 3.597 -5.009 -1.610
303 HG22 VAL 36 1HG2 VAL 36 4.226 -5.347 -3.228
304 HG23 VAL 36 2HG2 VAL 36 5.349 -5.053 -1.875
305 H TRP 37 H TRP 37 3.532 -0.151 -2.163
306 HA TRP 37 HA TRP 37 6.176 1.170 -1.742
307 HB2 TRP 37 2HB TRP 37 5.418 2.706 -3.586
308 HB3 TRP 37 3HB TRP 37 5.820 1.067 -4.040
309 HD1 TRP 37 1HD TRP 37 3.868 -0.574 -4.747
310 HE1 TRP 37 1HE TRP 37 1.467 -0.268 -5.441
311 HE3 TRP 37 3HE TRP 37 3.385 4.355 -3.548
312 HZ2 TRP 37 2HZ TRP 37 -0.480 1.933 -5.572
313 HZ3 TRP 37 3HZ TRP 37 1.240 5.555 -3.982
314 HH2 TRP 37 2HH TRP 37 -0.697 4.353 -4.954
315 H THR 38 H THR 38 3.400 0.950 -0.162
316 HA THR 38 HA THR 38 3.335 3.841 0.641
317 HB THR 38 HB THR 38 1.025 3.452 1.397
318 HG1 THR 38 1HG THR 38 0.862 1.168 -0.142
319 HG21 THR 38 1HG2 THR 38 1.530 2.699 -1.528
320 HG22 THR 38 2HG2 THR 38 1.440 4.344 -0.879
321 HG23 THR 38 3HG2 THR 38 -0.001 3.306 -0.854
322 H ASN 39 H ASN 39 4.723 1.112 1.669
323 HA ASN 39 HA ASN 39 5.431 0.250 3.619
324 HB2 ASN 39 2HB ASN 39 6.179 2.736 3.732
325 HB3 ASN 39 3HB ASN 39 4.951 2.896 4.983
326 HD21 ASN 39 1HD2 ASN 39 5.157 1.133 6.785
327 HD22 ASN 39 2HD2 ASN 39 6.815 0.809 7.313
328 H LEU 40 H LEU 40 2.897 -0.401 3.030
329 HA LEU 40 HA LEU 40 1.603 -0.829 5.704
330 HB2 LEU 40 2HB LEU 40 0.368 -0.653 2.928
331 HB3 LEU 40 3HB LEU 40 -0.514 -1.148 4.355
332 HG LEU 40 HG LEU 40 0.721 1.604 3.926
333 HD11 LEU 40 1HD1 LEU 40 -2.179 0.660 3.892
334 HD12 LEU 40 2HD1 LEU 40 -1.604 2.334 3.706
335 HD13 LEU 40 3HD1 LEU 40 -1.217 1.133 2.470
336 HD21 LEU 40 3HD2 LEU 40 0.641 1.072 6.310
337 HD22 LEU 40 1HD2 LEU 40 -0.670 2.194 5.929
338 HD23 LEU 40 2HD2 LEU 40 -1.028 0.477 6.157
339 H THR 41 H THR 41 0.075 -2.873 5.398
340 HA THR 41 HA THR 41 1.357 -5.046 3.837
341 HB THR 41 HB THR 41 2.195 -5.315 6.128
342 HG1 THR 41 1HG THR 41 1.610 -7.448 6.275
343 HG21 THR 41 1HG2 THR 41 0.364 -4.357 7.453
344 HG22 THR 41 2HG2 THR 41 0.664 -6.031 7.935
345 HG23 THR 41 3HG2 THR 41 -0.736 -5.648 6.912
346 H GLU 42 H GLU 42 -0.262 -6.954 3.668
347 HA GLU 42 HA GLU 42 -2.605 -6.052 2.370
348 HB2 GLU 42 2HB GLU 42 -1.831 -8.275 1.923
349 HB3 GLU 42 3HB GLU 42 -1.957 -8.752 3.630
350 HG2 GLU 42 2HG GLU 42 -4.387 -8.576 3.578
351 HG3 GLU 42 3HG GLU 42 -4.336 -7.869 1.959
352 H ALA 43 H ALA 43 -2.212 -7.033 5.780
353 HA ALA 43 HA ALA 43 -4.987 -7.151 6.399
354 HB1 ALA 43 1HB ALA 43 -4.217 -7.164 8.735
355 HB2 ALA 43 2HB ALA 43 -3.215 -8.222 7.721
356 HB3 ALA 43 3HB ALA 43 -2.599 -6.629 8.225
357 H ARG 44 H ARG 44 -2.709 -4.413 6.543
358 HA ARG 44 HA ARG 44 -4.516 -2.462 7.704
359 HB2 ARG 44 2HB ARG 44 -2.180 -2.105 5.781
360 HB3 ARG 44 3HB ARG 44 -2.981 -0.799 6.630
361 HG2 ARG 44 2HG ARG 44 -1.565 -3.065 8.085
362 HG3 ARG 44 3HG ARG 44 -0.769 -1.561 7.611
363 HD2 ARG 44 2HD ARG 44 -2.318 -0.242 8.967
364 HD3 ARG 44 3HD ARG 44 -3.245 -1.694 9.355
365 HE ARG 44 HE ARG 44 -1.503 -2.515 10.734
366 HH11 ARG 44 2HH1 ARG 44 -0.817 0.824 9.795
367 HH12 ARG 44 1HH1 ARG 44 0.571 0.884 10.841
368 HH21 ARG 44 2HH2 ARG 44 0.179 -2.265 12.123
369 HH22 ARG 44 1HH2 ARG 44 1.055 -0.765 12.180
370 H VAL 45 H VAL 45 -3.773 -3.337 4.296
371 HA VAL 45 HA VAL 45 -5.635 -1.438 3.188
372 HB VAL 45 HB VAL 45 -4.663 -4.012 1.889
373 HG11 VAL 45 1HG1 VAL 45 -4.992 -2.717 -0.209
374 HG12 VAL 45 2HG1 VAL 45 -6.514 -2.922 0.662
375 HG13 VAL 45 3HG1 VAL 45 -5.653 -1.368 0.730
376 HG21 VAL 45 3HG2 VAL 45 -3.389 -1.250 2.072
377 HG22 VAL 45 1HG2 VAL 45 -2.693 -2.796 2.588
378 HG23 VAL 45 2HG2 VAL 45 -2.923 -2.477 0.874
379 H ARG 46 H ARG 46 -6.008 -4.926 3.945
380 HA ARG 46 HA ARG 46 -8.703 -5.240 3.094
381 HB2 ARG 46 2HB ARG 46 -6.999 -7.029 3.760
382 HB3 ARG 46 3HB ARG 46 -7.342 -6.629 5.446
383 HG2 ARG 46 2HG ARG 46 -9.799 -7.138 4.937
384 HG3 ARG 46 3HG ARG 46 -9.278 -7.747 3.363
385 HD2 ARG 46 2HD ARG 46 -8.317 -8.768 6.074
386 HD3 ARG 46 3HD ARG 46 -9.613 -9.501 5.115
387 HE ARG 46 HE ARG 46 -7.250 -9.360 3.505
388 HH11 ARG 46 2HH1 ARG 46 -8.470 -11.166 6.250
389 HH12 ARG 46 1HH1 ARG 46 -7.513 -12.571 5.866
390 HH21 ARG 46 2HH2 ARG 46 -6.036 -11.188 3.079
391 HH22 ARG 46 1HH2 ARG 46 -6.186 -12.578 4.126
392 H VAL 47 H VAL 47 -7.448 -4.294 6.318
393 HA VAL 47 HA VAL 47 -9.985 -3.852 7.581
394 HB VAL 47 HB VAL 47 -7.189 -2.780 8.090
395 HG11 VAL 47 1HG1 VAL 47 -9.674 -2.280 9.777
396 HG12 VAL 47 2HG1 VAL 47 -7.997 -2.023 10.315
397 HG13 VAL 47 3HG1 VAL 47 -8.647 -1.053 8.995
398 HG21 VAL 47 3HG2 VAL 47 -8.956 -4.677 9.700
399 HG22 VAL 47 1HG2 VAL 47 -7.739 -5.219 8.533
400 HG23 VAL 47 2HG2 VAL 47 -7.229 -4.311 9.959
401 H TRP 48 H TRP 48 -7.867 -1.558 5.763
402 HA TRP 48 HA TRP 48 -9.514 0.714 6.218
403 HB2 TRP 48 2HB TRP 48 -7.143 0.682 5.349
404 HB3 TRP 48 3HB TRP 48 -7.779 0.199 3.783
405 HD1 TRP 48 1HD TRP 48 -7.399 3.146 6.111
406 HE1 TRP 48 1HE TRP 48 -8.133 5.314 4.957
407 HE3 TRP 48 3HE TRP 48 -9.561 1.156 1.914
408 HZ2 TRP 48 2HZ TRP 48 -9.400 6.090 2.493
409 HZ3 TRP 48 3HZ TRP 48 -10.600 2.625 0.219
410 HH2 TRP 48 2HH TRP 48 -10.578 5.084 0.519
411 H PHE 49 H PHE 49 -9.481 -1.528 3.386
412 HA PHE 49 HA PHE 49 -11.696 -0.252 2.061
413 HB2 PHE 49 2HB PHE 49 -10.266 -2.898 1.788
414 HB3 PHE 49 3HB PHE 49 -11.776 -2.629 0.943
415 HD1 PHE 49 1HD PHE 49 -8.373 -1.004 1.376
416 HD2 PHE 49 2HD PHE 49 -11.831 -1.569 -1.147
417 HE1 PHE 49 1HE PHE 49 -7.234 0.197 -0.455
418 HE2 PHE 49 2HE PHE 49 -10.654 -0.419 -2.974
419 HZ PHE 49 HZ PHE 49 -8.381 0.507 -2.639
420 H LYS 50 H LYS 50 -11.586 -2.796 4.536
421 HA LYS 50 HA LYS 50 -14.404 -3.462 4.430
422 HB2 LYS 50 2HB LYS 50 -12.712 -4.926 5.440
423 HB3 LYS 50 3HB LYS 50 -12.404 -3.729 6.711
424 HG2 LYS 50 2HG LYS 50 -14.698 -4.003 7.564
425 HG3 LYS 50 3HG LYS 50 -15.107 -5.046 6.198
426 HD2 LYS 50 2HD LYS 50 -14.761 -6.406 8.152
427 HD3 LYS 50 3HD LYS 50 -13.461 -6.733 6.995
428 HE2 LYS 50 2HE LYS 50 -11.927 -5.281 8.281
429 HE3 LYS 50 3HE LYS 50 -13.237 -4.846 9.389
430 HZ1 LYS 50 3HZ LYS 50 -12.146 -7.593 9.049
431 HZ2 LYS 50 1HZ LYS 50 -13.353 -7.182 10.071
432 HZ3 LYS 50 2HZ LYS 50 -11.847 -6.610 10.318
433 H ASN 51 H ASN 51 -12.585 -1.030 6.333
434 HA ASN 51 HA ASN 51 -14.981 0.065 7.579
435 HB2 ASN 51 2HB ASN 51 -12.126 1.050 7.211
436 HB3 ASN 51 3HB ASN 51 -13.384 2.109 7.845
437 HD21 ASN 51 1HD2 ASN 51 -11.588 -0.894 8.488
438 HD22 ASN 51 2HD2 ASN 51 -11.973 -0.885 10.210
439 H ARG 52 H ARG 52 -13.180 0.968 4.594
440 HA ARG 52 HA ARG 52 -14.744 3.247 4.026
441 HB2 ARG 52 2HB ARG 52 -12.491 2.463 2.982
442 HB3 ARG 52 3HB ARG 52 -13.464 1.460 1.916
443 HG2 ARG 52 2HG ARG 52 -12.944 3.481 0.737
444 HG3 ARG 52 3HG ARG 52 -14.665 3.525 1.109
445 HD2 ARG 52 2HD ARG 52 -14.220 5.061 3.011
446 HD3 ARG 52 3HD ARG 52 -12.483 4.940 2.698
447 HE ARG 52 HE ARG 52 -14.348 5.974 0.595
448 HH11 ARG 52 2HH1 ARG 52 -11.661 6.773 2.751
449 HH12 ARG 52 1HH1 ARG 52 -11.314 8.225 1.800
450 HH21 ARG 52 2HH2 ARG 52 -13.797 7.952 -0.397
451 HH22 ARG 52 1HH2 ARG 52 -12.391 8.808 0.239
452 H ARG 53 H ARG 53 -15.335 -0.123 2.961
453 HA ARG 53 HA ARG 53 -17.705 0.598 1.448
454 HB2 ARG 53 2HB ARG 53 -18.098 -1.707 1.143
455 HB3 ARG 53 3HB ARG 53 -16.359 -1.446 1.052
456 HG2 ARG 53 2HG ARG 53 -16.225 -2.218 3.479
457 HG3 ARG 53 3HG ARG 53 -17.936 -2.666 3.360
458 HD2 ARG 53 2HD ARG 53 -17.347 -4.148 1.417
459 HD3 ARG 53 3HD ARG 53 -15.639 -3.732 1.674
460 HE ARG 53 HE ARG 53 -16.999 -4.779 4.052
461 HH11 ARG 53 2HH1 ARG 53 -15.233 -5.789 1.201
462 HH12 ARG 53 1HH1 ARG 53 -14.810 -7.329 1.898
463 HH21 ARG 53 2HH2 ARG 53 -16.459 -6.779 4.861
464 HH22 ARG 53 1HH2 ARG 53 -15.484 -7.863 3.917
465 H ALA 54 H ALA 54 -17.243 -0.207 4.866
466 HA ALA 54 HA ALA 54 -20.076 -0.298 5.478
467 HB1 ALA 54 1HB ALA 54 -19.311 -0.170 7.807
468 HB2 ALA 54 2HB ALA 54 -18.319 -1.335 6.905
469 HB3 ALA 54 3HB ALA 54 -17.682 0.286 7.280
470 H LYS 55 H LYS 55 -17.686 2.330 5.317
471 HA LYS 55 HA LYS 55 -19.514 4.370 6.321
472 HB2 LYS 55 2HB LYS 55 -16.798 4.474 4.947
473 HB3 LYS 55 3HB LYS 55 -17.681 5.919 5.457
474 HG2 LYS 55 2HG LYS 55 -17.691 5.180 7.779
475 HG3 LYS 55 3HG LYS 55 -16.893 3.663 7.354
476 HD2 LYS 55 2HD LYS 55 -14.903 4.920 6.563
477 HD3 LYS 55 3HD LYS 55 -15.710 6.449 6.983
478 HE2 LYS 55 2HE LYS 55 -15.886 5.672 9.355
479 HE3 LYS 55 3HE LYS 55 -15.019 4.193 8.924
480 HZ1 LYS 55 3HZ LYS 55 -13.107 5.591 8.296
481 HZ2 LYS 55 1HZ LYS 55 -13.517 5.860 9.853
482 HZ3 LYS 55 2HZ LYS 55 -13.919 6.949 8.710
483 H TRP 56 H TRP 56 -18.524 3.344 3.050
484 HA TRP 56 HA TRP 56 -19.680 5.371 1.482
485 HB2 TRP 56 2HB TRP 56 -18.403 3.870 0.275
486 HB3 TRP 56 3HB TRP 56 -19.027 2.474 1.132
487 HD1 TRP 56 1HD TRP 56 -20.630 5.014 -1.312
488 HE1 TRP 56 1HE TRP 56 -22.170 3.694 -2.957
489 HE3 TRP 56 3HE TRP 56 -19.945 0.292 0.502
490 HZ2 TRP 56 2HZ TRP 56 -22.901 0.989 -3.441
491 HZ3 TRP 56 3HZ TRP 56 -21.069 -1.653 -0.568
492 HH2 TRP 56 2HH TRP 56 -22.545 -1.317 -2.540
493 H ARG 57 H ARG 57 -21.259 2.448 2.740
494 HA ARG 57 HA ARG 57 -23.744 2.713 1.450
495 HB2 ARG 57 2HB ARG 57 -22.803 1.416 4.032
496 HB3 ARG 57 3HB ARG 57 -24.493 1.250 3.502
497 HG2 ARG 57 2HG ARG 57 -23.780 0.171 1.418
498 HG3 ARG 57 3HG ARG 57 -22.087 0.491 1.804
499 HD2 ARG 57 2HD ARG 57 -22.497 -1.797 2.316
500 HD3 ARG 57 3HD ARG 57 -22.274 -0.912 3.837
501 HE ARG 57 HE ARG 57 -25.071 -1.049 3.155
502 HH11 ARG 57 2HH2 ARG 57 -22.558 -3.165 4.369
503 HH12 ARG 57 1HH2 ARG 57 -23.697 -4.192 5.197
504 HH21 ARG 57 2HH1 ARG 57 -26.469 -2.395 4.238
505 HH22 ARG 57 1HH1 ARG 57 -25.851 -3.764 5.116
506 H LYS 58 H LYS 58 -22.686 4.554 4.204
507 HA LYS 58 HA LYS 58 -25.367 5.488 5.000
508 HB2 LYS 58 2HB LYS 58 -22.544 6.410 5.671
509 HB3 LYS 58 3HB LYS 58 -23.963 7.305 6.174
510 HG2 LYS 58 2HG LYS 58 -23.217 5.944 7.985
511 HG3 LYS 58 3HG LYS 58 -24.813 5.405 7.457
512 HD2 LYS 58 2HD LYS 58 -23.882 3.446 6.385
513 HD3 LYS 58 3HD LYS 58 -22.224 4.065 6.591
514 HE2 LYS 58 2HE LYS 58 -22.433 3.888 9.027
515 HE3 LYS 58 3HE LYS 58 -24.114 3.353 8.879
516 HZ1 LYS 58 3HZ LYS 58 -22.470 1.506 9.148
517 HZ2 LYS 58 1HZ LYS 58 -21.826 1.887 7.681
518 HZ3 LYS 58 2HZ LYS 58 -23.368 1.356 7.792
519 H ARG 59 H ARG 59 -23.109 6.403 2.535
520 HA ARG 59 HA ARG 59 -24.568 8.975 1.982
521 HB2 ARG 59 2HB ARG 59 -21.720 8.157 1.283
522 HB3 ARG 59 3HB ARG 59 -22.463 9.721 0.949
523 HG2 ARG 59 2HG ARG 59 -21.824 8.577 3.703
524 HG3 ARG 59 3HG ARG 59 -20.955 9.855 2.854
525 HD2 ARG 59 2HD ARG 59 -22.995 11.281 2.918
526 HD3 ARG 59 3HD ARG 59 -23.835 10.011 3.833
527 HE ARG 59 HE ARG 59 -21.397 10.654 5.169
528 HH11 ARG 59 2HH1 ARG 59 -24.530 12.120 4.608
529 HH12 ARG 59 1HH1 ARG 59 -24.449 13.069 6.066
530 HH21 ARG 59 2HH2 ARG 59 -21.360 11.892 7.016
531 HH22 ARG 59 1HH2 ARG 59 -22.698 12.938 7.389
532 H GLU 60 H GLU 60 -23.690 5.925 0.592
533 HA GLU 60 HA GLU 60 -24.094 4.918 -1.383
534 HB2 GLU 60 2HB GLU 60 -26.511 6.747 -1.520
535 HB3 GLU 60 3HB GLU 60 -26.258 5.262 -2.448
536 HG2 GLU 60 2HG GLU 60 -26.122 3.968 -0.316
537 HG3 GLU 60 3HG GLU 60 -26.492 5.443 0.585
538 H GLU 61 H GLU 61 -22.129 6.803 -1.554
539 HA GLU 61 HA GLU 61 -22.382 8.646 -3.732
540 HB2 GLU 61 2HB GLU 61 -19.903 7.325 -2.552
541 HB3 GLU 61 3HB GLU 61 -19.881 8.652 -3.719
542 HG2 GLU 61 2HG GLU 61 -21.206 10.053 -2.119
543 HG3 GLU 61 3HG GLU 61 -21.107 8.748 -0.935
544 H PHE 62 H PHE 62 -21.157 5.317 -3.696
545 HA PHE 62 HA PHE 62 -21.252 5.170 -6.674
546 HB2 PHE 62 2HB PHE 62 -19.177 4.381 -5.684
547 HB3 PHE 62 3HB PHE 62 -20.049 3.323 -4.584
548 HD1 PHE 62 1HD PHE 62 -19.477 3.964 -8.247
549 HD2 PHE 62 2HD PHE 62 -20.533 1.089 -5.207
550 HE1 PHE 62 1HE PHE 62 -19.421 2.146 -9.942
551 HE2 PHE 62 2HE PHE 62 -20.466 -0.722 -6.900
552 HZ PHE 62 HZ PHE 62 -19.914 -0.198 -9.269
553 H ILE 63 H ILE 63 -22.637 3.676 -7.691
554 HA ILE 63 HA ILE 63 -24.790 2.436 -6.043
555 HB ILE 63 HB ILE 63 -25.235 4.348 -8.363
556 HG12 ILE 63 2HG1 ILE 63 -25.895 4.550 -5.388
557 HG13 ILE 63 3HG1 ILE 63 -24.720 5.522 -6.277
558 HG21 ILE 63 1HG2 ILE 63 -27.655 3.958 -8.000
559 HG22 ILE 63 2HG2 ILE 63 -26.861 2.481 -8.468
560 HG23 ILE 63 3HG2 ILE 63 -27.282 2.745 -6.757
561 HD11 ILE 63 3HD1 ILE 63 -26.597 6.464 -7.652
562 HD12 ILE 63 1HD1 ILE 63 -26.613 6.889 -5.927
563 HD13 ILE 63 2HD1 ILE 63 -27.729 5.659 -6.531
564 H VAL 64 H VAL 64 -25.616 0.585 -6.823
565 HA VAL 64 HA VAL 64 -24.859 -0.388 -9.547
566 HB VAL 64 HB VAL 64 -25.121 -2.114 -7.057
567 HG11 VAL 64 1HG1 VAL 64 -24.356 -2.805 -9.931
568 HG12 VAL 64 2HG1 VAL 64 -24.238 -3.911 -8.547
569 HG13 VAL 64 3HG1 VAL 64 -25.819 -3.335 -9.059
570 HG21 VAL 64 3HG2 VAL 64 -23.003 -0.877 -6.974
571 HG22 VAL 64 1HG2 VAL 64 -22.691 -2.565 -7.374
572 HG23 VAL 64 2HG2 VAL 64 -22.642 -1.332 -8.654
573 H THR 65 H THR 65 -26.556 -0.948 -10.779
574 HA THR 65 HA THR 65 -29.284 -0.879 -9.585
575 HB THR 65 HB THR 65 -30.007 -0.309 -11.894
576 HG1 THR 65 1HG THR 65 -28.402 0.211 -13.389
577 HG21 THR 65 1HG2 THR 65 -27.776 1.500 -10.863
578 HG22 THR 65 2HG2 THR 65 -29.438 1.469 -10.232
579 HG23 THR 65 3HG2 THR 65 -29.139 1.965 -11.908
580 H ASP 66 H ASP 66 -27.156 -3.161 -10.788
581 HA ASP 66 HA ASP 66 -28.941 -4.953 -12.187
582 HB2 ASP 66 2HB ASP 66 -26.512 -4.923 -12.534
583 HB3 ASP 66 3HB ASP 66 -26.245 -5.437 -10.872
Start of MODEL 4
1 H1 GLY -1 1H GLY -1 1.370 3.437 35.527
2 H2 GLY -1 2H GLY -1 2.990 3.460 35.770
3 H3 GLY -1 3H GLY -1 2.247 2.072 35.315
4 HA2 GLY -1 2HA GLY -1 2.476 4.515 33.677
5 HA3 GLY -1 3HA GLY -1 3.415 3.029 33.443
6 H SER 0 H SER 0 2.450 3.287 31.232
7 HA SER 0 HA SER 0 0.077 1.559 30.965
8 HB2 SER 0 2HB SER 0 -0.914 3.803 31.037
9 HB3 SER 0 3HB SER 0 0.180 4.351 29.751
10 HG SER 0 HG SER 0 -2.004 3.654 29.100
11 H GLN 1 H GLN 1 -0.059 0.508 28.998
12 HA GLN 1 HA GLN 1 2.343 0.357 27.309
13 HB2 GLN 1 2HB GLN 1 -0.378 -1.007 27.143
14 HB3 GLN 1 3HB GLN 1 0.981 -1.324 26.056
15 HG2 GLN 1 2HG GLN 1 2.379 -2.022 27.997
16 HG3 GLN 1 3HG GLN 1 0.999 -1.784 29.072
17 HE21 GLN 1 2HE2 GLN 1 -0.938 -3.214 28.746
18 HE22 GLN 1 1HE2 GLN 1 -0.677 -4.782 27.998
19 H ARG 2 H ARG 2 -0.502 2.240 27.335
20 HA ARG 2 HA ARG 2 -1.452 3.819 26.068
21 HB2 ARG 2 2HB ARG 2 1.293 3.959 24.790
22 HB3 ARG 2 3HB ARG 2 0.015 5.158 24.584
23 HG2 ARG 2 2HG ARG 2 0.001 5.651 26.983
24 HG3 ARG 2 3HG ARG 2 1.205 4.388 27.288
25 HD2 ARG 2 2HD ARG 2 2.852 5.582 25.882
26 HD3 ARG 2 3HD ARG 2 1.648 6.815 25.510
27 HE ARG 2 HE ARG 2 1.991 7.815 27.556
28 HH11 ARG 2 2HH1 ARG 2 3.468 4.634 27.818
29 HH12 ARG 2 1HH1 ARG 2 4.377 5.087 29.229
30 HH21 ARG 2 2HH2 ARG 2 3.121 8.282 29.395
31 HH22 ARG 2 1HH2 ARG 2 4.148 7.081 30.120
32 H ARG 3 H ARG 3 0.178 1.653 23.805
33 HA ARG 3 HA ARG 3 -0.303 0.810 21.768
34 HB2 ARG 3 2HB ARG 3 -3.225 1.376 22.384
35 HB3 ARG 3 3HB ARG 3 -2.615 0.358 21.083
36 HG2 ARG 3 2HG ARG 3 -1.550 -1.151 22.746
37 HG3 ARG 3 3HG ARG 3 -2.215 -0.161 24.063
38 HD2 ARG 3 2HD ARG 3 -4.506 -0.613 23.261
39 HD3 ARG 3 3HD ARG 3 -3.852 -1.601 21.936
40 HE ARG 3 HE ARG 3 -2.816 -2.623 24.372
41 HH11 ARG 3 2HH1 ARG 3 -5.935 -2.463 22.782
42 HH12 ARG 3 1HH1 ARG 3 -6.513 -3.903 23.575
43 HH21 ARG 3 2HH2 ARG 3 -3.616 -4.454 25.345
44 HH22 ARG 3 1HH2 ARG 3 -5.229 -4.995 24.986
45 H GLN 4 H GLN 4 -1.090 1.229 19.555
46 HA GLN 4 HA GLN 4 -0.072 3.831 18.814
47 HB2 GLN 4 2HB GLN 4 -1.242 1.566 17.134
48 HB3 GLN 4 3HB GLN 4 -0.417 2.978 16.484
49 HG2 GLN 4 2HG GLN 4 0.814 0.821 18.255
50 HG3 GLN 4 3HG GLN 4 1.109 1.089 16.538
51 HE21 GLN 4 2HE2 GLN 4 1.808 3.582 16.104
52 HE22 GLN 4 1HE2 GLN 4 3.085 4.123 17.189
53 H ARG 5 H ARG 5 -3.284 2.485 18.843
54 HA ARG 5 HA ARG 5 -5.396 3.240 18.541
55 HB2 ARG 5 2HB ARG 5 -4.305 6.046 18.902
56 HB3 ARG 5 3HB ARG 5 -5.961 5.512 19.144
57 HG2 ARG 5 2HG ARG 5 -3.557 4.689 20.827
58 HG3 ARG 5 3HG ARG 5 -4.790 5.861 21.272
59 HD2 ARG 5 2HD ARG 5 -6.512 4.150 21.317
60 HD3 ARG 5 3HD ARG 5 -5.377 2.921 20.727
61 HE ARG 5 HE ARG 5 -4.058 3.708 22.924
62 HH11 ARG 5 2HH1 ARG 5 -7.457 2.844 22.677
63 HH12 ARG 5 1HH1 ARG 5 -7.500 2.274 24.324
64 HH21 ARG 5 2HH2 ARG 5 -4.171 2.983 24.903
65 HH22 ARG 5 1HH2 ARG 5 -5.663 2.361 25.588
66 H THR 6 H THR 6 -3.143 4.726 16.350
67 HA THR 6 HA THR 6 -5.250 4.765 14.220
68 HB THR 6 HB THR 6 -2.987 6.771 14.568
69 HG1 THR 6 1HG THR 6 -4.642 8.201 15.058
70 HG21 THR 6 1HG2 THR 6 -3.567 6.506 12.200
71 HG22 THR 6 2HG2 THR 6 -4.212 8.035 12.791
72 HG23 THR 6 3HG2 THR 6 -5.303 6.647 12.577
73 H HIS 7 H HIS 7 -4.691 3.835 12.314
74 HA HIS 7 HA HIS 7 -2.079 2.385 12.247
75 HB2 HIS 7 2HB HIS 7 -4.816 1.639 11.173
76 HB3 HIS 7 3HB HIS 7 -3.354 0.678 10.970
77 HD2 HIS 7 2HD HIS 7 -6.126 1.302 13.438
78 HE1 HIS 7 1HE HIS 7 -3.239 -1.013 15.562
79 HE2 HIS 7 2HE HIS 7 -5.614 -0.091 15.616
80 H PHE 8 H PHE 8 -3.209 5.051 10.734
81 HA PHE 8 HA PHE 8 -1.647 4.497 8.281
82 HB2 PHE 8 2HB PHE 8 -4.349 5.875 8.276
83 HB3 PHE 8 3HB PHE 8 -3.320 5.543 6.884
84 HD1 PHE 8 2HD PHE 8 -3.013 3.214 6.057
85 HD2 PHE 8 1HD PHE 8 -5.789 4.165 9.215
86 HE1 PHE 8 2HE PHE 8 -4.101 0.991 5.778
87 HE2 PHE 8 1HE PHE 8 -6.844 1.927 8.970
88 HZ PHE 8 HZ PHE 8 -5.985 0.335 7.279
89 H THR 9 H THR 9 -1.067 6.451 7.094
90 HA THR 9 HA THR 9 -0.820 8.915 8.778
91 HB THR 9 HB THR 9 1.032 9.598 7.568
92 HG1 THR 9 1HG THR 9 1.718 8.548 5.671
93 HG21 THR 9 1HG2 THR 9 2.666 7.816 7.658
94 HG22 THR 9 2HG2 THR 9 1.391 6.582 7.611
95 HG23 THR 9 3HG2 THR 9 1.553 7.635 9.031
96 H SER 10 H SER 10 -1.152 10.987 7.739
97 HA SER 10 HA SER 10 -3.463 11.209 6.144
98 HB2 SER 10 2HB SER 10 -1.276 13.282 6.347
99 HB3 SER 10 3HB SER 10 -3.009 13.522 6.021
100 HG SER 10 HG SER 10 -2.465 13.966 8.215
101 H GLN 11 H GLN 11 -0.348 10.297 5.029
102 HA GLN 11 HA GLN 11 -0.910 11.130 2.229
103 HB2 GLN 11 2HB GLN 11 1.324 11.559 3.238
104 HB3 GLN 11 3HB GLN 11 1.556 9.812 3.421
105 HG2 GLN 11 2HG GLN 11 1.368 9.534 0.956
106 HG3 GLN 11 3HG GLN 11 1.064 11.264 0.779
107 HE21 GLN 11 2HE2 GLN 11 3.045 10.572 -0.766
108 HE22 GLN 11 1HE2 GLN 11 4.615 10.907 -0.048
109 H GLN 12 H GLN 12 -0.474 8.147 4.224
110 HA GLN 12 HA GLN 12 -0.662 6.238 2.092
111 HB2 GLN 12 2HB GLN 12 -1.435 6.096 5.034
112 HB3 GLN 12 3HB GLN 12 -1.433 4.695 3.947
113 HG2 GLN 12 2HG GLN 12 0.914 4.901 3.509
114 HG3 GLN 12 3HG GLN 12 1.036 6.376 4.467
115 HE21 GLN 12 2HE2 GLN 12 2.343 3.697 4.796
116 HE22 GLN 12 1HE2 GLN 12 1.985 3.239 6.455
117 H LEU 13 H LEU 13 -3.136 7.717 4.157
118 HA LEU 13 HA LEU 13 -5.464 6.397 3.255
119 HB2 LEU 13 2HB LEU 13 -5.007 9.265 4.164
120 HB3 LEU 13 3HB LEU 13 -6.594 8.511 4.016
121 HG LEU 13 HG LEU 13 -4.410 7.368 5.836
122 HD11 LEU 13 1HD1 LEU 13 -4.909 9.677 6.499
123 HD12 LEU 13 2HD1 LEU 13 -6.643 9.287 6.579
124 HD13 LEU 13 3HD1 LEU 13 -5.481 8.502 7.688
125 HD21 LEU 13 3HD2 LEU 13 -6.104 5.772 5.319
126 HD22 LEU 13 1HD2 LEU 13 -6.320 6.325 6.980
127 HD23 LEU 13 2HD2 LEU 13 -7.401 6.950 5.714
128 H GLN 14 H GLN 14 -3.651 8.955 1.636
129 HA GLN 14 HA GLN 14 -5.748 9.659 -0.258
130 HB2 GLN 14 2HB GLN 14 -2.765 10.065 -0.649
131 HB3 GLN 14 3HB GLN 14 -4.088 10.943 -1.404
132 HG2 GLN 14 2HG GLN 14 -3.214 11.038 1.494
133 HG3 GLN 14 3HG GLN 14 -3.006 12.310 0.304
134 HE21 GLN 14 2HE2 GLN 14 -4.390 12.284 2.949
135 HE22 GLN 14 1HE2 GLN 14 -6.027 12.870 2.603
136 H GLU 15 H GLU 15 -2.944 7.430 -0.318
137 HA GLU 15 HA GLU 15 -3.369 6.613 -3.082
138 HB2 GLU 15 2HB GLU 15 -1.835 5.160 -0.901
139 HB3 GLU 15 3HB GLU 15 -1.697 4.922 -2.638
140 HG2 GLU 15 2HG GLU 15 -0.818 7.319 -1.000
141 HG3 GLU 15 3HG GLU 15 0.198 6.199 -1.884
142 H LEU 16 H LEU 16 -4.485 5.433 0.050
143 HA LEU 16 HA LEU 16 -5.763 3.021 -0.884
144 HB2 LEU 16 2HB LEU 16 -6.130 4.833 1.524
145 HB3 LEU 16 3HB LEU 16 -7.067 3.365 1.287
146 HG LEU 16 HG LEU 16 -4.034 3.231 1.185
147 HD11 LEU 16 1HD1 LEU 16 -3.994 2.711 3.567
148 HD12 LEU 16 2HD1 LEU 16 -4.582 4.357 3.293
149 HD13 LEU 16 3HD1 LEU 16 -5.727 3.062 3.693
150 HD21 LEU 16 3HD2 LEU 16 -6.216 1.259 1.995
151 HD22 LEU 16 1HD2 LEU 16 -5.321 1.262 0.458
152 HD23 LEU 16 2HD2 LEU 16 -4.469 0.933 1.978
153 H GLU 17 H GLU 17 -7.171 6.335 -0.247
154 HA GLU 17 HA GLU 17 -9.602 5.485 -1.558
155 HB2 GLU 17 2HB GLU 17 -10.556 7.477 -1.173
156 HB3 GLU 17 3HB GLU 17 -9.508 7.191 0.217
157 HG2 GLU 17 2HG GLU 17 -7.925 8.865 -0.585
158 HG3 GLU 17 3HG GLU 17 -8.851 9.068 -2.078
159 H ALA 18 H ALA 18 -6.705 6.697 -2.955
160 HA ALA 18 HA ALA 18 -7.913 7.314 -5.543
161 HB1 ALA 18 1HB ALA 18 -5.585 7.351 -6.339
162 HB2 ALA 18 2HB ALA 18 -5.782 8.317 -4.867
163 HB3 ALA 18 3HB ALA 18 -5.027 6.708 -4.782
164 H THR 19 H THR 19 -6.129 4.393 -4.270
165 HA THR 19 HA THR 19 -6.601 2.941 -6.718
166 HB THR 19 HB THR 19 -4.775 2.498 -5.036
167 HG1 THR 19 1HG THR 19 -6.320 0.283 -5.891
168 HG21 THR 19 1HG2 THR 19 -5.100 1.078 -3.210
169 HG22 THR 19 2HG2 THR 19 -6.680 0.502 -3.793
170 HG23 THR 19 3HG2 THR 19 -6.493 2.126 -3.086
171 H PHE 20 H PHE 20 -8.540 3.376 -3.849
172 HA PHE 20 HA PHE 20 -10.563 1.438 -4.176
173 HB2 PHE 20 2HB PHE 20 -10.396 2.845 -2.231
174 HB3 PHE 20 3HB PHE 20 -10.556 4.293 -3.204
175 HD1 PHE 20 2HD PHE 20 -12.668 1.159 -2.918
176 HD2 PHE 20 1HD PHE 20 -12.456 5.450 -2.596
177 HE1 PHE 20 2HE PHE 20 -15.090 1.236 -2.422
178 HE2 PHE 20 1HE PHE 20 -14.895 5.528 -2.127
179 HZ PHE 20 HZ PHE 20 -16.211 3.421 -2.025
180 H GLN 21 H GLN 21 -9.923 4.341 -6.140
181 HA GLN 21 HA GLN 21 -12.531 4.369 -7.381
182 HB2 GLN 21 2HB GLN 21 -9.915 5.522 -8.419
183 HB3 GLN 21 3HB GLN 21 -11.537 5.948 -8.970
184 HG2 GLN 21 2HG GLN 21 -10.189 6.610 -6.346
185 HG3 GLN 21 3HG GLN 21 -10.768 7.723 -7.569
186 HE21 GLN 21 2HE2 GLN 21 -11.408 6.852 -4.537
187 HE22 GLN 21 1HE2 GLN 21 -13.176 6.957 -4.538
188 H ARG 22 H ARG 22 -9.448 2.812 -8.245
189 HA ARG 22 HA ARG 22 -10.590 1.734 -10.772
190 HB2 ARG 22 2HB ARG 22 -8.422 0.791 -11.206
191 HB3 ARG 22 3HB ARG 22 -8.269 2.510 -10.837
192 HG2 ARG 22 2HG ARG 22 -7.382 2.041 -8.641
193 HG3 ARG 22 3HG ARG 22 -7.770 0.318 -8.775
194 HD2 ARG 22 2HD ARG 22 -6.155 0.126 -10.660
195 HD3 ARG 22 3HD ARG 22 -5.666 1.809 -10.373
196 HE ARG 22 HE ARG 22 -5.293 0.914 -7.917
197 HH11 ARG 22 1HH1 ARG 22 -4.353 -1.016 -10.757
198 HH12 ARG 22 2HH1 ARG 22 -3.309 -1.989 -9.708
199 HH21 ARG 22 2HH2 ARG 22 -3.996 -0.416 -6.841
200 HH22 ARG 22 1HH2 ARG 22 -3.097 -1.670 -7.733
201 H ASN 23 H ASN 23 -10.041 0.673 -7.505
202 HA ASN 23 HA ASN 23 -11.197 -2.008 -8.131
203 HB2 ASN 23 2HB ASN 23 -8.647 -2.015 -8.118
204 HB3 ASN 23 3HB ASN 23 -8.704 -1.516 -6.433
205 HD21 ASN 23 1HD2 ASN 23 -7.447 -3.865 -7.158
206 HD22 ASN 23 2HD2 ASN 23 -8.400 -5.233 -6.604
207 H HIS 24 H HIS 24 -13.099 -1.847 -7.041
208 HA HIS 24 HA HIS 24 -13.306 -0.403 -4.493
209 HB2 HIS 24 2HB HIS 24 -15.275 -1.873 -6.269
210 HB3 HIS 24 3HB HIS 24 -15.715 -1.253 -4.685
211 HD2 HIS 24 2HD HIS 24 -13.828 0.471 -7.702
212 HE1 HIS 24 1HE HIS 24 -16.928 3.069 -6.375
213 HE2 HIS 24 2HE HIS 24 -15.025 2.773 -8.043
214 H TYR 25 H TYR 25 -12.357 -3.570 -5.263
215 HA TYR 25 HA TYR 25 -12.758 -4.543 -2.522
216 HB2 TYR 25 2HB TYR 25 -13.896 -6.654 -3.434
217 HB3 TYR 25 3HB TYR 25 -14.839 -5.205 -3.221
218 HD1 TYR 25 2HD TYR 25 -13.390 -7.480 -5.782
219 HD2 TYR 25 1HD TYR 25 -15.859 -4.020 -5.048
220 HE1 TYR 25 2HE TYR 25 -14.207 -7.569 -8.124
221 HE2 TYR 25 1HE TYR 25 -16.673 -4.107 -7.403
222 HH TYR 25 HH TYR 25 -15.559 -6.616 -9.711
223 HA PRO 26 HA PRO 26 -8.872 -5.928 -4.686
224 HB2 PRO 26 2HB PRO 26 -7.007 -5.039 -2.909
225 HB3 PRO 26 3HB PRO 26 -7.740 -3.989 -4.145
226 HG2 PRO 26 2HG PRO 26 -8.602 -4.298 -1.253
227 HG3 PRO 26 3HG PRO 26 -8.244 -2.777 -2.139
228 HD2 PRO 26 2HD PRO 26 -10.785 -3.687 -1.870
229 HD3 PRO 26 3HD PRO 26 -10.242 -2.947 -3.408
230 H ASP 27 H ASP 27 -7.355 -7.510 -4.080
231 HA ASP 27 HA ASP 27 -8.318 -9.427 -1.988
232 HB2 ASP 27 2HB ASP 27 -8.903 -9.934 -4.407
233 HB3 ASP 27 3HB ASP 27 -7.178 -10.074 -4.729
234 H MET 28 H MET 28 -6.472 -11.230 -1.722
235 HA MET 28 HA MET 28 -4.331 -10.071 -0.347
236 HB2 MET 28 2HB MET 28 -3.265 -12.239 -0.364
237 HB3 MET 28 3HB MET 28 -4.999 -12.427 -0.112
238 HG2 MET 28 2HG MET 28 -5.337 -13.189 -2.374
239 HG3 MET 28 3HG MET 28 -3.713 -12.750 -2.858
240 HE1 MET 28 3HE MET 28 -1.622 -13.793 -0.931
241 HE2 MET 28 1HE MET 28 -1.353 -15.390 -1.660
242 HE3 MET 28 2HE MET 28 -1.660 -13.975 -2.697
243 H SER 29 H SER 29 -4.446 -10.643 -3.844
244 HA SER 29 HA SER 29 -1.605 -10.169 -4.273
245 HB2 SER 29 2HB SER 29 -2.349 -10.237 -6.680
246 HB3 SER 29 3HB SER 29 -2.751 -11.680 -5.720
247 HG SER 29 HG SER 29 -4.524 -10.972 -6.999
248 H THR 30 H THR 30 -4.639 -8.380 -4.974
249 HA THR 30 HA THR 30 -3.237 -6.037 -5.948
250 HB THR 30 HB THR 30 -5.687 -5.043 -5.637
251 HG1 THR 30 1HG THR 30 -6.382 -7.657 -6.227
252 HG21 THR 30 1HG2 THR 30 -4.850 -7.083 -7.746
253 HG22 THR 30 2HG2 THR 30 -4.564 -5.331 -7.791
254 HG23 THR 30 3HG2 THR 30 -6.218 -5.956 -7.904
255 H ARG 31 H ARG 31 -4.699 -6.807 -2.796
256 HA ARG 31 HA ARG 31 -4.272 -4.277 -1.535
257 HB2 ARG 31 2HB ARG 31 -4.017 -7.124 -0.467
258 HB3 ARG 31 3HB ARG 31 -4.007 -5.702 0.567
259 HG2 ARG 31 2HG ARG 31 -6.318 -5.191 0.070
260 HG3 ARG 31 3HG ARG 31 -6.353 -6.376 -1.237
261 HD2 ARG 31 2HD ARG 31 -5.698 -8.120 0.534
262 HD3 ARG 31 3HD ARG 31 -6.174 -6.911 1.742
263 HE ARG 31 HE ARG 31 -8.319 -7.072 -0.051
264 HH11 ARG 31 2HH1 ARG 31 -6.635 -9.549 1.814
265 HH12 ARG 31 1HH1 ARG 31 -8.027 -10.607 1.750
266 HH21 ARG 31 2HH2 ARG 31 -9.938 -8.453 -0.141
267 HH22 ARG 31 1HH2 ARG 31 -9.902 -9.972 0.725
268 H GLU 32 H GLU 32 -2.015 -7.073 -1.873
269 HA GLU 32 HA GLU 32 0.185 -5.749 -0.593
270 HB2 GLU 32 2HB GLU 32 0.051 -8.053 -2.570
271 HB3 GLU 32 3HB GLU 32 1.577 -7.417 -1.930
272 HG2 GLU 32 2HG GLU 32 0.820 -7.822 0.374
273 HG3 GLU 32 3HG GLU 32 -0.706 -8.463 -0.218
274 H GLU 33 H GLU 33 -0.769 -5.911 -4.061
275 HA GLU 33 HA GLU 33 1.371 -4.488 -5.152
276 HB2 GLU 33 2HB GLU 33 -0.432 -5.562 -6.477
277 HB3 GLU 33 3HB GLU 33 -1.578 -4.341 -5.929
278 HG2 GLU 33 2HG GLU 33 -0.220 -2.575 -7.077
279 HG3 GLU 33 3HG GLU 33 0.820 -3.848 -7.714
280 H ILE 34 H ILE 34 -1.427 -3.008 -3.432
281 HA ILE 34 HA ILE 34 -0.292 -0.330 -3.936
282 HB ILE 34 HB ILE 34 -2.188 0.636 -3.189
283 HG12 ILE 34 2HG1 ILE 34 -4.024 -0.850 -1.935
284 HG13 ILE 34 3HG1 ILE 34 -2.601 -1.706 -1.361
285 HG21 ILE 34 1HG2 ILE 34 -3.373 -2.011 -4.043
286 HG22 ILE 34 2HG2 ILE 34 -3.989 -0.399 -4.335
287 HG23 ILE 34 3HG2 ILE 34 -2.522 -0.925 -5.179
288 HD11 ILE 34 3HD1 ILE 34 -1.729 0.486 -0.442
289 HD12 ILE 34 1HD1 ILE 34 -3.300 0.030 0.207
290 HD13 ILE 34 2HD1 ILE 34 -3.201 1.275 -1.050
291 H ALA 35 H ALA 35 -0.276 -2.702 -1.341
292 HA ALA 35 HA ALA 35 0.524 -0.894 0.755
293 HB1 ALA 35 1HB ALA 35 0.891 -2.992 2.001
294 HB2 ALA 35 2HB ALA 35 -0.667 -3.003 1.174
295 HB3 ALA 35 3HB ALA 35 0.708 -3.921 0.513
296 H VAL 36 H VAL 36 2.223 -2.695 -1.676
297 HA VAL 36 HA VAL 36 4.763 -3.033 -0.568
298 HB VAL 36 HB VAL 36 3.470 -3.067 -3.262
299 HG11 VAL 36 1HG1 VAL 36 6.490 -3.163 -3.134
300 HG12 VAL 36 2HG1 VAL 36 5.454 -3.636 -4.507
301 HG13 VAL 36 3HG1 VAL 36 5.483 -1.956 -3.984
302 HG21 VAL 36 3HG2 VAL 36 3.607 -4.999 -1.630
303 HG22 VAL 36 1HG2 VAL 36 4.199 -5.347 -3.260
304 HG23 VAL 36 2HG2 VAL 36 5.353 -5.054 -1.931
305 H TRP 37 H TRP 37 3.540 -0.118 -2.142
306 HA TRP 37 HA TRP 37 6.193 1.183 -1.710
307 HB2 TRP 37 2HB TRP 37 5.444 2.749 -3.533
308 HB3 TRP 37 3HB TRP 37 5.847 1.117 -4.012
309 HD1 TRP 37 1HD TRP 37 3.892 -0.516 -4.738
310 HE1 TRP 37 1HE TRP 37 1.498 -0.190 -5.458
311 HE3 TRP 37 3HE TRP 37 3.420 4.407 -3.510
312 HZ2 TRP 37 2HZ TRP 37 -0.427 2.024 -5.612
313 HZ3 TRP 37 3HZ TRP 37 1.290 5.626 -3.973
314 HH2 TRP 37 2HH TRP 37 -0.637 4.441 -4.990
315 H THR 38 H THR 38 3.408 0.950 -0.144
316 HA THR 38 HA THR 38 3.358 3.831 0.695
317 HB THR 38 HB THR 38 1.039 3.463 1.424
318 HG1 THR 38 1HG THR 38 0.858 1.194 -0.133
319 HG21 THR 38 1HG2 THR 38 1.560 2.744 -1.504
320 HG22 THR 38 2HG2 THR 38 1.478 4.381 -0.830
321 HG23 THR 38 3HG2 THR 38 0.029 3.354 -0.832
322 H ASN 39 H ASN 39 4.726 1.094 1.706
323 HA ASN 39 HA ASN 39 5.408 0.203 3.649
324 HB2 ASN 39 2HB ASN 39 6.252 2.600 3.855
325 HB3 ASN 39 3HB ASN 39 4.890 2.893 4.933
326 HD21 ASN 39 1HD2 ASN 39 6.699 3.459 6.453
327 HD22 ASN 39 2HD2 ASN 39 7.445 2.139 7.343
328 H LEU 40 H LEU 40 2.886 -0.467 3.050
329 HA LEU 40 HA LEU 40 1.571 -0.887 5.715
330 HB2 LEU 40 2HB LEU 40 0.345 -0.702 2.934
331 HB3 LEU 40 3HB LEU 40 -0.543 -1.190 4.360
332 HG LEU 40 HG LEU 40 0.715 1.552 3.936
333 HD11 LEU 40 1HD1 LEU 40 -1.603 2.302 3.703
334 HD12 LEU 40 2HD1 LEU 40 -1.215 1.099 2.468
335 HD13 LEU 40 3HD1 LEU 40 -2.190 0.631 3.882
336 HD21 LEU 40 3HD2 LEU 40 -1.052 0.438 6.158
337 HD22 LEU 40 1HD2 LEU 40 0.620 1.024 6.317
338 HD23 LEU 40 2HD2 LEU 40 -0.682 2.153 5.930
339 H THR 41 H THR 41 0.037 -2.915 5.419
340 HA THR 41 HA THR 41 1.301 -5.100 3.862
341 HB THR 41 HB THR 41 2.134 -5.378 6.155
342 HG1 THR 41 1HG THR 41 1.529 -7.508 6.297
343 HG21 THR 41 1HG2 THR 41 0.301 -4.410 7.478
344 HG22 THR 41 2HG2 THR 41 0.601 -6.083 7.961
345 HG23 THR 41 3HG2 THR 41 -0.800 -5.703 6.938
346 H GLU 42 H GLU 42 -0.330 -6.976 3.629
347 HA GLU 42 HA GLU 42 -2.561 -5.836 2.333
348 HB2 GLU 42 2HB GLU 42 -3.077 -7.898 1.564
349 HB3 GLU 42 3HB GLU 42 -1.386 -8.095 1.962
350 HG2 GLU 42 2HG GLU 42 -2.292 -10.054 2.723
351 HG3 GLU 42 3HG GLU 42 -2.237 -9.116 4.208
352 H ALA 43 H ALA 43 -2.342 -7.091 5.593
353 HA ALA 43 HA ALA 43 -5.128 -7.176 6.206
354 HB1 ALA 43 1HB ALA 43 -2.726 -6.775 8.044
355 HB2 ALA 43 2HB ALA 43 -4.357 -7.268 8.540
356 HB3 ALA 43 3HB ALA 43 -3.390 -8.337 7.508
357 H ARG 44 H ARG 44 -2.775 -4.484 6.385
358 HA ARG 44 HA ARG 44 -4.553 -2.556 7.660
359 HB2 ARG 44 2HB ARG 44 -2.189 -2.151 5.768
360 HB3 ARG 44 3HB ARG 44 -3.007 -0.861 6.621
361 HG2 ARG 44 2HG ARG 44 -1.652 -3.151 8.088
362 HG3 ARG 44 3HG ARG 44 -0.815 -1.661 7.633
363 HD2 ARG 44 2HD ARG 44 -2.385 -0.314 8.947
364 HD3 ARG 44 3HD ARG 44 -3.326 -1.756 9.334
365 HE ARG 44 HE ARG 44 -1.603 -2.576 10.742
366 HH11 ARG 44 2HH1 ARG 44 -0.888 0.750 9.779
367 HH12 ARG 44 1HH1 ARG 44 0.492 0.810 10.834
368 HH21 ARG 44 2HH2 ARG 44 0.066 -2.322 12.147
369 HH22 ARG 44 1HH2 ARG 44 0.952 -0.829 12.195
370 H VAL 45 H VAL 45 -3.826 -3.351 4.248
371 HA VAL 45 HA VAL 45 -5.685 -1.441 3.163
372 HB VAL 45 HB VAL 45 -4.826 -4.027 1.830
373 HG11 VAL 45 1HG1 VAL 45 -5.095 -2.659 -0.239
374 HG12 VAL 45 2HG1 VAL 45 -6.615 -2.802 0.649
375 HG13 VAL 45 3HG1 VAL 45 -5.664 -1.302 0.746
376 HG21 VAL 45 3HG2 VAL 45 -2.996 -2.623 0.817
377 HG22 VAL 45 1HG2 VAL 45 -3.357 -1.371 2.028
378 HG23 VAL 45 2HG2 VAL 45 -2.771 -2.971 2.522
379 H ARG 46 H ARG 46 -6.085 -4.933 3.934
380 HA ARG 46 HA ARG 46 -8.806 -5.257 3.203
381 HB2 ARG 46 2HB ARG 46 -7.147 -7.043 3.905
382 HB3 ARG 46 3HB ARG 46 -7.332 -6.494 5.571
383 HG2 ARG 46 2HG ARG 46 -9.865 -6.975 5.253
384 HG3 ARG 46 3HG ARG 46 -9.390 -7.840 3.787
385 HD2 ARG 46 2HD ARG 46 -8.391 -8.387 6.623
386 HD3 ARG 46 3HD ARG 46 -9.644 -9.297 5.795
387 HE ARG 46 HE ARG 46 -6.747 -9.201 4.929
388 HH11 ARG 46 2HH1 ARG 46 -9.673 -11.145 5.256
389 HH12 ARG 46 1HH1 ARG 46 -8.838 -12.578 4.725
390 HH21 ARG 46 2HH2 ARG 46 -5.832 -10.933 4.303
391 HH22 ARG 46 1HH2 ARG 46 -6.671 -12.483 4.184
392 H VAL 47 H VAL 47 -7.473 -4.207 6.362
393 HA VAL 47 HA VAL 47 -9.976 -3.704 7.655
394 HB VAL 47 HB VAL 47 -7.161 -2.660 8.115
395 HG11 VAL 47 1HG1 VAL 47 -7.933 -1.895 10.351
396 HG12 VAL 47 2HG1 VAL 47 -8.614 -0.927 9.046
397 HG13 VAL 47 3HG1 VAL 47 -9.617 -2.160 9.849
398 HG21 VAL 47 3HG2 VAL 47 -8.916 -4.552 9.746
399 HG22 VAL 47 1HG2 VAL 47 -7.704 -5.094 8.575
400 HG23 VAL 47 2HG2 VAL 47 -7.190 -4.186 9.998
401 H TRP 48 H TRP 48 -7.883 -1.461 5.738
402 HA TRP 48 HA TRP 48 -9.533 0.824 6.175
403 HB2 TRP 48 2HB TRP 48 -7.178 0.790 5.271
404 HB3 TRP 48 3HB TRP 48 -7.833 0.254 3.731
405 HD1 TRP 48 1HD TRP 48 -7.465 3.275 5.967
406 HE1 TRP 48 1HE TRP 48 -8.227 5.400 4.750
407 HE3 TRP 48 3HE TRP 48 -9.651 1.137 1.853
408 HZ2 TRP 48 2HZ TRP 48 -9.509 6.088 2.271
409 HZ3 TRP 48 3HZ TRP 48 -10.707 2.544 0.118
410 HH2 TRP 48 2HH TRP 48 -10.674 5.015 0.323
411 H PHE 49 H PHE 49 -9.550 -1.510 3.427
412 HA PHE 49 HA PHE 49 -11.798 -0.276 2.111
413 HB2 PHE 49 2HB PHE 49 -10.286 -2.872 1.827
414 HB3 PHE 49 3HB PHE 49 -11.811 -2.659 0.995
415 HD1 PHE 49 1HD PHE 49 -8.369 -1.127 1.293
416 HD2 PHE 49 2HD PHE 49 -12.038 -1.346 -0.973
417 HE1 PHE 49 1HE PHE 49 -7.298 0.111 -0.556
418 HE2 PHE 49 2HE PHE 49 -10.951 -0.140 -2.803
419 HZ PHE 49 HZ PHE 49 -8.606 0.639 -2.605
420 H LYS 50 H LYS 50 -11.649 -2.633 4.728
421 HA LYS 50 HA LYS 50 -14.510 -3.231 4.696
422 HB2 LYS 50 2HB LYS 50 -12.796 -4.723 5.687
423 HB3 LYS 50 3HB LYS 50 -12.477 -3.515 6.943
424 HG2 LYS 50 2HG LYS 50 -14.806 -3.735 7.759
425 HG3 LYS 50 3HG LYS 50 -15.189 -4.817 6.415
426 HD2 LYS 50 2HD LYS 50 -14.891 -6.125 8.408
427 HD3 LYS 50 3HD LYS 50 -13.561 -6.482 7.297
428 HE2 LYS 50 2HE LYS 50 -12.063 -4.990 8.587
429 HE3 LYS 50 3HE LYS 50 -13.405 -4.534 9.647
430 HZ1 LYS 50 3HZ LYS 50 -13.531 -6.854 10.381
431 HZ2 LYS 50 1HZ LYS 50 -12.035 -6.270 10.655
432 HZ3 LYS 50 2HZ LYS 50 -12.296 -7.283 9.402
433 H ASN 51 H ASN 51 -12.486 -0.808 6.387
434 HA ASN 51 HA ASN 51 -14.735 0.428 7.755
435 HB2 ASN 51 2HB ASN 51 -11.870 1.243 7.183
436 HB3 ASN 51 3HB ASN 51 -13.026 2.425 7.786
437 HD21 ASN 51 1HD2 ASN 51 -11.450 -0.669 8.565
438 HD22 ASN 51 2HD2 ASN 51 -11.740 -0.510 10.298
439 H ARG 52 H ARG 52 -13.216 1.102 4.559
440 HA ARG 52 HA ARG 52 -14.729 3.432 4.032
441 HB2 ARG 52 2HB ARG 52 -12.658 2.414 2.776
442 HB3 ARG 52 3HB ARG 52 -13.858 1.479 1.883
443 HG2 ARG 52 2HG ARG 52 -13.254 3.411 0.584
444 HG3 ARG 52 3HG ARG 52 -14.930 3.596 1.105
445 HD2 ARG 52 2HD ARG 52 -14.230 5.178 2.869
446 HD3 ARG 52 3HD ARG 52 -12.531 4.890 2.466
447 HE ARG 52 HE ARG 52 -14.326 5.915 0.329
448 HH11 ARG 52 2HH1 ARG 52 -11.773 6.819 2.609
449 HH12 ARG 52 1HH1 ARG 52 -11.385 8.240 1.629
450 HH21 ARG 52 2HH2 ARG 52 -13.742 7.874 -0.690
451 HH22 ARG 52 1HH2 ARG 52 -12.378 8.761 -0.008
452 H ARG 53 H ARG 53 -15.569 0.056 3.230
453 HA ARG 53 HA ARG 53 -18.120 0.776 2.045
454 HB2 ARG 53 2HB ARG 53 -18.636 -1.556 1.993
455 HB3 ARG 53 3HB ARG 53 -16.963 -1.308 1.503
456 HG2 ARG 53 2HG ARG 53 -16.284 -1.942 3.874
457 HG3 ARG 53 3HG ARG 53 -17.973 -2.365 4.185
458 HD2 ARG 53 2HD ARG 53 -16.815 -4.382 3.652
459 HD3 ARG 53 3HD ARG 53 -17.833 -3.980 2.254
460 HE ARG 53 HE ARG 53 -15.165 -2.864 1.999
461 HH11 ARG 53 2HH2 ARG 53 -16.760 -5.975 1.736
462 HH12 ARG 53 1HH2 ARG 53 -15.618 -6.569 0.564
463 HH21 ARG 53 1HH1 ARG 53 -13.836 -3.629 0.403
464 HH22 ARG 53 2HH1 ARG 53 -13.964 -5.286 -0.120
465 H ALA 54 H ALA 54 -17.176 0.087 5.402
466 HA ALA 54 HA ALA 54 -19.871 0.138 6.439
467 HB1 ALA 54 1HB ALA 54 -17.245 0.841 7.818
468 HB2 ALA 54 2HB ALA 54 -18.791 0.476 8.604
469 HB3 ALA 54 3HB ALA 54 -17.949 -0.786 7.686
470 H LYS 55 H LYS 55 -17.436 2.723 5.881
471 HA LYS 55 HA LYS 55 -19.047 4.892 6.904
472 HB2 LYS 55 2HB LYS 55 -16.662 4.765 5.013
473 HB3 LYS 55 3HB LYS 55 -17.429 6.290 5.477
474 HG2 LYS 55 2HG LYS 55 -16.963 5.915 7.821
475 HG3 LYS 55 3HG LYS 55 -16.327 4.296 7.498
476 HD2 LYS 55 2HD LYS 55 -14.543 5.293 6.065
477 HD3 LYS 55 3HD LYS 55 -15.119 6.913 6.477
478 HE2 LYS 55 2HE LYS 55 -14.161 4.825 8.487
479 HE3 LYS 55 3HE LYS 55 -13.128 6.082 7.796
480 HZ1 LYS 55 3HZ LYS 55 -13.988 6.776 9.944
481 HZ2 LYS 55 1HZ LYS 55 -15.535 6.593 9.465
482 HZ3 LYS 55 2HZ LYS 55 -14.600 7.755 8.793
483 H TRP 56 H TRP 56 -18.781 3.469 3.613
484 HA TRP 56 HA TRP 56 -20.690 5.233 2.383
485 HB2 TRP 56 2HB TRP 56 -19.574 3.921 0.845
486 HB3 TRP 56 3HB TRP 56 -19.636 2.487 1.858
487 HD1 TRP 56 1HD TRP 56 -22.359 4.642 0.108
488 HE1 TRP 56 1HE TRP 56 -24.185 3.047 -0.820
489 HE3 TRP 56 3HE TRP 56 -20.320 0.158 1.443
490 HZ2 TRP 56 2HZ TRP 56 -24.700 0.252 -0.918
491 HZ3 TRP 56 3HZ TRP 56 -21.504 -1.966 0.949
492 HH2 TRP 56 2HH TRP 56 -23.699 -1.939 -0.232
493 H ARG 57 H ARG 57 -21.224 2.059 4.019
494 HA ARG 57 HA ARG 57 -24.045 2.062 3.820
495 HB2 ARG 57 2HB ARG 57 -22.076 0.729 5.702
496 HB3 ARG 57 3HB ARG 57 -23.819 0.482 5.897
497 HG2 ARG 57 2HG ARG 57 -24.024 -0.416 3.654
498 HG3 ARG 57 3HG ARG 57 -22.329 -0.039 3.303
499 HD2 ARG 57 2HD ARG 57 -21.569 -1.594 5.020
500 HD3 ARG 57 3HD ARG 57 -23.250 -1.955 5.476
501 HE ARG 57 HE ARG 57 -23.043 -2.478 2.724
502 HH11 ARG 57 2HH1 ARG 57 -21.655 -3.838 5.639
503 HH12 ARG 57 1HH1 ARG 57 -21.457 -5.414 4.923
504 HH21 ARG 57 2HH2 ARG 57 -22.779 -4.525 1.875
505 HH22 ARG 57 1HH2 ARG 57 -22.076 -5.782 2.847
506 H LYS 58 H LYS 58 -22.088 3.791 6.205
507 HA LYS 58 HA LYS 58 -24.293 4.537 7.951
508 HB2 LYS 58 2HB LYS 58 -21.462 5.491 7.527
509 HB3 LYS 58 3HB LYS 58 -22.589 6.624 8.246
510 HG2 LYS 58 2HG LYS 58 -21.570 5.587 10.060
511 HG3 LYS 58 3HG LYS 58 -23.195 4.905 9.975
512 HD2 LYS 58 2HD LYS 58 -22.234 2.852 8.876
513 HD3 LYS 58 3HD LYS 58 -20.634 3.613 8.954
514 HE2 LYS 58 2HE LYS 58 -20.745 2.058 10.737
515 HE3 LYS 58 3HE LYS 58 -20.756 3.687 11.416
516 HZ1 LYS 58 3HZ LYS 58 -22.407 2.237 12.479
517 HZ2 LYS 58 1HZ LYS 58 -23.165 1.970 11.062
518 HZ3 LYS 58 2HZ LYS 58 -23.170 3.465 11.729
519 H ARG 59 H ARG 59 -23.312 5.756 4.828
520 HA ARG 59 HA ARG 59 -25.138 8.126 5.084
521 HB2 ARG 59 2HB ARG 59 -22.849 7.589 3.150
522 HB3 ARG 59 3HB ARG 59 -23.820 9.057 3.215
523 HG2 ARG 59 2HG ARG 59 -21.922 8.053 5.378
524 HG3 ARG 59 3HG ARG 59 -21.643 9.390 4.272
525 HD2 ARG 59 2HD ARG 59 -23.772 9.274 6.453
526 HD3 ARG 59 3HD ARG 59 -22.271 10.178 6.526
527 HE ARG 59 HE ARG 59 -24.721 10.901 5.090
528 HH11 ARG 59 2HH1 ARG 59 -21.294 11.625 5.292
529 HH12 ARG 59 1HH1 ARG 59 -21.493 13.181 4.532
530 HH21 ARG 59 2HH2 ARG 59 -24.892 12.886 4.124
531 HH22 ARG 59 1HH2 ARG 59 -23.477 13.868 3.894
532 H GLU 60 H GLU 60 -24.715 5.198 3.265
533 HA GLU 60 HA GLU 60 -25.878 4.189 1.614
534 HB2 GLU 60 2HB GLU 60 -28.252 5.686 2.768
535 HB3 GLU 60 3HB GLU 60 -28.321 4.291 1.684
536 HG2 GLU 60 2HG GLU 60 -27.065 2.935 3.356
537 HG3 GLU 60 3HG GLU 60 -27.118 4.304 4.475
538 H GLU 61 H GLU 61 -24.438 6.335 0.708
539 HA GLU 61 HA GLU 61 -25.872 8.082 -1.075
540 HB2 GLU 61 2HB GLU 61 -22.974 7.134 -1.064
541 HB3 GLU 61 3HB GLU 61 -23.605 8.395 -2.127
542 HG2 GLU 61 2HG GLU 61 -24.328 9.701 -0.110
543 HG3 GLU 61 3HG GLU 61 -23.570 8.481 0.915
544 H PHE 62 H PHE 62 -24.862 4.811 -1.433
545 HA PHE 62 HA PHE 62 -26.162 4.574 -4.083
546 HB2 PHE 62 2HB PHE 62 -23.714 4.619 -4.423
547 HB3 PHE 62 3HB PHE 62 -23.505 3.331 -3.250
548 HD1 PHE 62 2HD PHE 62 -24.988 4.140 -6.586
549 HD2 PHE 62 1HD PHE 62 -23.794 1.029 -3.848
550 HE1 PHE 62 2HE PHE 62 -25.335 2.437 -8.367
551 HE2 PHE 62 1HE PHE 62 -24.147 -0.669 -5.628
552 HZ PHE 62 HZ PHE 62 -24.916 0.032 -7.887
553 H ILE 63 H ILE 63 -27.120 2.453 -4.397
554 HA ILE 63 HA ILE 63 -27.607 0.919 -1.871
555 HB ILE 63 HB ILE 63 -29.620 1.640 -4.024
556 HG12 ILE 63 2HG1 ILE 63 -29.169 3.593 -2.619
557 HG13 ILE 63 3HG1 ILE 63 -30.787 2.971 -2.384
558 HG21 ILE 63 1HG2 ILE 63 -29.943 -0.026 -1.493
559 HG22 ILE 63 2HG2 ILE 63 -31.292 0.608 -2.460
560 HG23 ILE 63 3HG2 ILE 63 -30.174 -0.548 -3.174
561 HD11 ILE 63 3HD1 ILE 63 -29.780 3.690 -0.267
562 HD12 ILE 63 1HD1 ILE 63 -28.462 2.523 -0.458
563 HD13 ILE 63 2HD1 ILE 63 -30.132 1.957 -0.227
564 H VAL 64 H VAL 64 -27.391 -1.189 -1.952
565 HA VAL 64 HA VAL 64 -27.048 -2.612 -4.566
566 HB VAL 64 HB VAL 64 -26.115 -3.413 -1.788
567 HG11 VAL 64 1HG1 VAL 64 -26.644 -5.412 -3.109
568 HG12 VAL 64 2HG1 VAL 64 -25.717 -4.777 -4.490
569 HG13 VAL 64 3HG1 VAL 64 -24.898 -5.230 -2.982
570 HG21 VAL 64 3HG2 VAL 64 -23.836 -3.107 -2.697
571 HG22 VAL 64 1HG2 VAL 64 -24.512 -2.556 -4.242
572 HG23 VAL 64 2HG2 VAL 64 -24.728 -1.586 -2.770
573 H THR 65 H THR 65 -28.573 -4.052 -5.142
574 HA THR 65 HA THR 65 -30.791 -4.618 -3.229
575 HB THR 65 HB THR 65 -32.173 -4.879 -5.278
576 HG1 THR 65 1HG THR 65 -31.285 -4.184 -7.229
577 HG21 THR 65 1HG2 THR 65 -32.314 -2.514 -5.832
578 HG22 THR 65 2HG2 THR 65 -30.684 -2.217 -5.188
579 HG23 THR 65 3HG2 THR 65 -32.007 -2.682 -4.094
580 H ASP 66 H ASP 66 -28.331 -6.264 -4.941
581 HA ASP 66 HA ASP 66 -29.404 -8.902 -4.136
582 HB2 ASP 66 2HB ASP 66 -30.265 -8.574 -6.418
583 HB3 ASP 66 3HB ASP 66 -28.643 -8.232 -7.005
Start of MODEL 5
1 H1 GLY -1 1H GLY -1 -0.507 16.156 22.769
2 H2 GLY -1 2H GLY -1 -1.113 17.678 22.793
3 H3 GLY -1 3H GLY -1 -2.129 16.393 22.766
4 HA2 GLY -1 2HA GLY -1 -0.305 17.074 24.983
5 HA3 GLY -1 3HA GLY -1 -2.055 17.363 24.975
6 H SER 0 H SER 0 0.018 15.480 26.447
7 HA SER 0 HA SER 0 -0.448 12.821 25.758
8 HB2 SER 0 2HB SER 0 0.268 13.897 28.508
9 HB3 SER 0 3HB SER 0 0.610 12.274 27.874
10 HG SER 0 HG SER 0 2.426 13.669 27.692
11 H GLN 1 H GLN 1 -2.715 14.802 27.443
12 HA GLN 1 HA GLN 1 -4.122 12.717 28.870
13 HB2 GLN 1 2HB GLN 1 -4.230 15.117 29.433
14 HB3 GLN 1 3HB GLN 1 -4.988 15.464 27.881
15 HG2 GLN 1 2HG GLN 1 -6.620 15.496 29.687
16 HG3 GLN 1 3HG GLN 1 -7.005 14.225 28.544
17 HE21 GLN 1 2HE2 GLN 1 -6.592 11.956 29.216
18 HE22 GLN 1 1HE2 GLN 1 -6.513 11.587 30.943
19 H ARG 2 H ARG 2 -4.018 13.600 25.493
20 HA ARG 2 HA ARG 2 -6.574 12.213 24.845
21 HB2 ARG 2 2HB ARG 2 -4.603 13.657 23.026
22 HB3 ARG 2 3HB ARG 2 -6.177 13.030 22.559
23 HG2 ARG 2 2HG ARG 2 -5.624 15.328 24.486
24 HG3 ARG 2 3HG ARG 2 -6.264 15.455 22.855
25 HD2 ARG 2 2HD ARG 2 -7.673 14.137 25.216
26 HD3 ARG 2 3HD ARG 2 -8.002 15.751 24.575
27 HE ARG 2 HE ARG 2 -8.291 14.028 22.390
28 HH11 ARG 2 2HH2 ARG 2 -9.939 14.457 25.452
29 HH12 ARG 2 1HH2 ARG 2 -11.450 13.857 24.825
30 HH21 ARG 2 2HH1 ARG 2 -10.244 13.262 21.660
31 HH22 ARG 2 1HH1 ARG 2 -11.610 13.202 22.733
32 H ARG 3 H ARG 3 -6.722 10.459 23.493
33 HA ARG 3 HA ARG 3 -4.417 8.582 23.498
34 HB2 ARG 3 2HB ARG 3 -7.340 8.190 22.727
35 HB3 ARG 3 3HB ARG 3 -6.102 6.929 22.707
36 HG2 ARG 3 2HG ARG 3 -5.737 7.224 25.148
37 HG3 ARG 3 3HG ARG 3 -6.999 8.470 25.187
38 HD2 ARG 3 2HD ARG 3 -8.658 6.816 24.381
39 HD3 ARG 3 3HD ARG 3 -7.399 5.562 24.377
40 HE ARG 3 HE ARG 3 -7.441 6.714 26.964
41 HH11 ARG 3 2HH1 ARG 3 -9.599 4.748 25.027
42 HH12 ARG 3 1HH1 ARG 3 -10.360 4.041 26.428
43 HH21 ARG 3 2HH2 ARG 3 -8.454 5.774 28.707
44 HH22 ARG 3 1HH2 ARG 3 -9.721 4.611 28.452
45 H GLN 4 H GLN 4 -3.451 7.731 21.690
46 HA GLN 4 HA GLN 4 -3.711 9.295 19.211
47 HB2 GLN 4 2HB GLN 4 -1.490 8.766 20.137
48 HB3 GLN 4 3HB GLN 4 -1.805 7.043 19.932
49 HG2 GLN 4 2HG GLN 4 -0.420 7.850 18.102
50 HG3 GLN 4 3HG GLN 4 -1.982 7.368 17.461
51 HE21 GLN 4 2HE2 GLN 4 -3.143 8.946 16.211
52 HE22 GLN 4 1HE2 GLN 4 -2.623 10.624 16.147
53 H ARG 5 H ARG 5 -5.540 8.803 18.176
54 HA ARG 5 HA ARG 5 -6.215 6.011 17.396
55 HB2 ARG 5 2HB ARG 5 -7.531 8.640 16.589
56 HB3 ARG 5 3HB ARG 5 -8.162 7.025 16.301
57 HG2 ARG 5 2HG ARG 5 -7.856 8.416 18.993
58 HG3 ARG 5 3HG ARG 5 -9.350 8.079 18.138
59 HD2 ARG 5 2HD ARG 5 -7.464 5.997 19.326
60 HD3 ARG 5 3HD ARG 5 -8.975 6.532 20.038
61 HE ARG 5 HE ARG 5 -8.623 4.632 17.850
62 HH11 ARG 5 2HH1 ARG 5 -11.005 6.749 19.320
63 HH12 ARG 5 1HH1 ARG 5 -12.338 5.849 18.652
64 HH21 ARG 5 2HH2 ARG 5 -10.370 3.552 17.023
65 HH22 ARG 5 1HH2 ARG 5 -11.981 4.095 17.387
66 H THR 6 H THR 6 -6.639 5.590 15.111
67 HA THR 6 HA THR 6 -5.957 5.180 13.008
68 HB THR 6 HB THR 6 -5.474 8.166 12.873
69 HG1 THR 6 1HG THR 6 -7.647 8.216 12.321
70 HG21 THR 6 1HG2 THR 6 -4.711 7.010 10.830
71 HG22 THR 6 2HG2 THR 6 -6.212 7.878 10.513
72 HG23 THR 6 3HG2 THR 6 -6.248 6.116 10.739
73 H HIS 7 H HIS 7 -4.250 3.869 12.869
74 HA HIS 7 HA HIS 7 -1.501 4.703 13.294
75 HB2 HIS 7 2HB HIS 7 -2.655 2.247 11.925
76 HB3 HIS 7 3HB HIS 7 -0.978 2.449 12.412
77 HD2 HIS 7 2HD HIS 7 -1.114 3.393 15.359
78 HE1 HIS 7 1HE HIS 7 -3.714 0.099 16.124
79 HE2 HIS 7 2HE HIS 7 -2.174 1.824 17.190
80 H PHE 8 H PHE 8 -3.573 4.832 10.491
81 HA PHE 8 HA PHE 8 -1.508 4.858 8.475
82 HB2 PHE 8 2HB PHE 8 -4.333 5.952 8.366
83 HB3 PHE 8 3HB PHE 8 -3.255 5.696 6.999
84 HD1 PHE 8 2HD PHE 8 -5.402 4.014 9.518
85 HD2 PHE 8 1HD PHE 8 -2.845 3.472 6.086
86 HE1 PHE 8 2HE PHE 8 -6.261 1.703 9.243
87 HE2 PHE 8 1HE PHE 8 -3.733 1.173 5.796
88 HZ PHE 8 HZ PHE 8 -5.427 0.278 7.387
89 H THR 9 H THR 9 -0.897 6.643 7.133
90 HA THR 9 HA THR 9 -0.664 9.235 8.593
91 HB THR 9 HB THR 9 1.154 9.822 7.304
92 HG1 THR 9 1HG THR 9 1.790 8.653 5.463
93 HG21 THR 9 1HG2 THR 9 1.484 6.811 7.532
94 HG22 THR 9 2HG2 THR 9 1.694 7.956 8.873
95 HG23 THR 9 3HG2 THR 9 2.772 8.031 7.463
96 H SER 10 H SER 10 -1.030 11.241 7.495
97 HA SER 10 HA SER 10 -3.362 11.394 5.903
98 HB2 SER 10 2HB SER 10 -1.198 13.495 6.032
99 HB3 SER 10 3HB SER 10 -2.938 13.710 5.739
100 HG SER 10 HG SER 10 -3.346 13.102 7.876
101 H GLN 11 H GLN 11 -0.294 10.389 4.815
102 HA GLN 11 HA GLN 11 -0.845 11.169 1.994
103 HB2 GLN 11 2HB GLN 11 1.396 11.629 2.986
104 HB3 GLN 11 3HB GLN 11 1.633 9.888 3.201
105 HG2 GLN 11 2HG GLN 11 1.441 9.559 0.747
106 HG3 GLN 11 3HG GLN 11 1.100 11.281 0.534
107 HE21 GLN 11 2HE2 GLN 11 3.658 8.967 1.611
108 HE22 GLN 11 1HE2 GLN 11 4.976 10.080 1.270
109 H GLN 12 H GLN 12 -0.384 8.249 4.080
110 HA GLN 12 HA GLN 12 -0.616 6.264 2.028
111 HB2 GLN 12 2HB GLN 12 -1.373 6.252 4.976
112 HB3 GLN 12 3HB GLN 12 -1.412 4.809 3.945
113 HG2 GLN 12 2HG GLN 12 0.938 4.938 3.491
114 HG3 GLN 12 3HG GLN 12 1.105 6.444 4.386
115 HE21 GLN 12 2HE2 GLN 12 2.337 3.750 4.810
116 HE22 GLN 12 1HE2 GLN 12 1.982 3.363 6.489
117 H LEU 13 H LEU 13 -3.061 7.822 4.072
118 HA LEU 13 HA LEU 13 -5.405 6.504 3.223
119 HB2 LEU 13 2HB LEU 13 -4.924 9.391 4.056
120 HB3 LEU 13 3HB LEU 13 -6.515 8.641 3.952
121 HG LEU 13 HG LEU 13 -4.302 7.526 5.746
122 HD11 LEU 13 1HD1 LEU 13 -6.508 9.456 6.533
123 HD12 LEU 13 2HD1 LEU 13 -5.298 8.695 7.608
124 HD13 LEU 13 3HD1 LEU 13 -4.780 9.855 6.382
125 HD21 LEU 13 3HD2 LEU 13 -6.188 6.519 6.962
126 HD22 LEU 13 1HD2 LEU 13 -7.296 7.121 5.706
127 HD23 LEU 13 2HD2 LEU 13 -6.014 5.930 5.309
128 H GLN 14 H GLN 14 -3.597 9.009 1.522
129 HA GLN 14 HA GLN 14 -5.714 9.682 -0.363
130 HB2 GLN 14 2HB GLN 14 -2.735 10.073 -0.794
131 HB3 GLN 14 3HB GLN 14 -4.064 10.936 -1.556
132 HG2 GLN 14 2HG GLN 14 -3.162 11.091 1.328
133 HG3 GLN 14 3HG GLN 14 -2.961 12.339 0.111
134 HE21 GLN 14 2HE2 GLN 14 -4.313 12.386 2.764
135 HE22 GLN 14 1HE2 GLN 14 -5.956 12.961 2.426
136 H GLU 15 H GLU 15 -2.915 7.446 -0.399
137 HA GLU 15 HA GLU 15 -3.364 6.576 -3.144
138 HB2 GLU 15 2HB GLU 15 -1.822 5.156 -0.947
139 HB3 GLU 15 3HB GLU 15 -1.692 4.892 -2.683
140 HG2 GLU 15 2HG GLU 15 -0.795 7.307 -1.080
141 HG3 GLU 15 3HG GLU 15 0.210 6.176 -1.961
142 H LEU 16 H LEU 16 -4.445 5.456 0.021
143 HA LEU 16 HA LEU 16 -5.742 3.045 -0.864
144 HB2 LEU 16 2HB LEU 16 -6.080 4.899 1.519
145 HB3 LEU 16 3HB LEU 16 -7.032 3.437 1.317
146 HG LEU 16 HG LEU 16 -4.003 3.268 1.211
147 HD11 LEU 16 1HD1 LEU 16 -3.992 2.785 3.613
148 HD12 LEU 16 2HD1 LEU 16 -4.520 4.443 3.287
149 HD13 LEU 16 3HD1 LEU 16 -5.714 3.200 3.711
150 HD21 LEU 16 3HD2 LEU 16 -5.309 1.301 0.519
151 HD22 LEU 16 1HD2 LEU 16 -4.455 0.990 2.041
152 HD23 LEU 16 2HD2 LEU 16 -6.200 1.330 2.056
153 H GLU 17 H GLU 17 -7.140 6.366 -0.254
154 HA GLU 17 HA GLU 17 -9.606 5.491 -1.482
155 HB2 GLU 17 2HB GLU 17 -10.547 7.483 -1.079
156 HB3 GLU 17 3HB GLU 17 -9.444 7.224 0.276
157 HG2 GLU 17 2HG GLU 17 -7.898 8.888 -0.628
158 HG3 GLU 17 3HG GLU 17 -8.894 9.068 -2.076
159 H ALA 18 H ALA 18 -6.745 6.744 -2.965
160 HA ALA 18 HA ALA 18 -8.020 7.316 -5.522
161 HB1 ALA 18 1HB ALA 18 -5.114 6.732 -4.821
162 HB2 ALA 18 2HB ALA 18 -5.709 7.353 -6.374
163 HB3 ALA 18 3HB ALA 18 -5.880 8.337 -4.911
164 H THR 19 H THR 19 -6.193 4.418 -4.261
165 HA THR 19 HA THR 19 -6.682 2.949 -6.690
166 HB THR 19 HB THR 19 -4.832 2.543 -5.017
167 HG1 THR 19 1HG THR 19 -6.336 0.297 -5.858
168 HG21 THR 19 1HG2 THR 19 -6.682 0.500 -3.774
169 HG22 THR 19 2HG2 THR 19 -6.543 2.125 -3.063
170 HG23 THR 19 3HG2 THR 19 -5.118 1.122 -3.190
171 H PHE 20 H PHE 20 -8.595 3.369 -3.799
172 HA PHE 20 HA PHE 20 -10.587 1.390 -4.123
173 HB2 PHE 20 2HB PHE 20 -10.405 2.767 -2.152
174 HB3 PHE 20 3HB PHE 20 -10.629 4.229 -3.092
175 HD1 PHE 20 2HD PHE 20 -12.634 1.019 -2.811
176 HD2 PHE 20 1HD PHE 20 -12.560 5.311 -2.434
177 HE1 PHE 20 2HE PHE 20 -15.042 1.006 -2.241
178 HE2 PHE 20 1HE PHE 20 -14.985 5.297 -1.889
179 HZ PHE 20 HZ PHE 20 -16.226 3.144 -1.781
180 H GLN 21 H GLN 21 -10.018 4.310 -6.066
181 HA GLN 21 HA GLN 21 -12.649 4.307 -7.273
182 HB2 GLN 21 2HB GLN 21 -10.074 5.518 -8.343
183 HB3 GLN 21 3HB GLN 21 -11.714 5.920 -8.853
184 HG2 GLN 21 2HG GLN 21 -10.317 6.583 -6.257
185 HG3 GLN 21 3HG GLN 21 -10.947 7.695 -7.454
186 HE21 GLN 21 2HE2 GLN 21 -11.499 6.774 -4.414
187 HE22 GLN 21 1HE2 GLN 21 -13.266 6.861 -4.374
188 H ARG 22 H ARG 22 -9.529 2.846 -8.198
189 HA ARG 22 HA ARG 22 -10.667 1.768 -10.720
190 HB2 ARG 22 2HB ARG 22 -8.492 0.852 -11.173
191 HB3 ARG 22 3HB ARG 22 -8.353 2.565 -10.780
192 HG2 ARG 22 2HG ARG 22 -7.447 2.077 -8.601
193 HG3 ARG 22 3HG ARG 22 -7.832 0.355 -8.743
194 HD2 ARG 22 2HD ARG 22 -6.224 0.161 -10.622
195 HD3 ARG 22 3HD ARG 22 -5.748 1.853 -10.362
196 HE ARG 22 HE ARG 22 -5.360 0.976 -7.892
197 HH11 ARG 22 2HH1 ARG 22 -4.363 -0.921 -10.734
198 HH12 ARG 22 1HH1 ARG 22 -3.278 -1.851 -9.688
199 HH21 ARG 22 2HH2 ARG 22 -4.010 -0.295 -6.822
200 HH22 ARG 22 1HH2 ARG 22 -3.067 -1.518 -7.713
201 H ASN 23 H ASN 23 -10.087 0.667 -7.467
202 HA ASN 23 HA ASN 23 -11.216 -2.018 -8.126
203 HB2 ASN 23 2HB ASN 23 -8.667 -1.970 -8.110
204 HB3 ASN 23 3HB ASN 23 -8.736 -1.505 -6.414
205 HD21 ASN 23 1HD2 ASN 23 -7.438 -3.814 -7.224
206 HD22 ASN 23 2HD2 ASN 23 -8.355 -5.213 -6.691
207 H HIS 24 H HIS 24 -13.130 -1.881 -7.058
208 HA HIS 24 HA HIS 24 -13.380 -0.446 -4.511
209 HB2 HIS 24 2HB HIS 24 -15.317 -1.958 -6.291
210 HB3 HIS 24 3HB HIS 24 -15.776 -1.308 -4.725
211 HD2 HIS 24 2HD HIS 24 -13.847 0.397 -7.725
212 HE1 HIS 24 1HE HIS 24 -17.090 2.911 -6.595
213 HE2 HIS 24 2HE HIS 24 -15.106 2.646 -8.174
214 H TYR 25 H TYR 25 -12.411 -3.612 -5.282
215 HA TYR 25 HA TYR 25 -12.804 -4.586 -2.539
216 HB2 TYR 25 2HB TYR 25 -13.925 -6.703 -3.431
217 HB3 TYR 25 3HB TYR 25 -14.882 -5.259 -3.246
218 HD1 TYR 25 1HD TYR 25 -13.432 -7.588 -5.748
219 HD2 TYR 25 2HD TYR 25 -15.874 -4.090 -5.111
220 HE1 TYR 25 1HE TYR 25 -14.237 -7.716 -8.099
221 HE2 TYR 25 2HE TYR 25 -16.671 -4.216 -7.463
222 HH TYR 25 HH TYR 25 -16.560 -5.346 -9.455
223 HA PRO 26 HA PRO 26 -8.933 -5.825 -4.801
224 HB2 PRO 26 2HB PRO 26 -7.039 -4.989 -3.019
225 HB3 PRO 26 3HB PRO 26 -7.820 -3.904 -4.195
226 HG2 PRO 26 2HG PRO 26 -8.630 -4.353 -1.304
227 HG3 PRO 26 3HG PRO 26 -8.311 -2.795 -2.135
228 HD2 PRO 26 2HD PRO 26 -10.829 -3.756 -1.860
229 HD3 PRO 26 3HD PRO 26 -10.327 -2.970 -3.389
230 H ASP 27 H ASP 27 -7.405 -7.412 -4.416
231 HA ASP 27 HA ASP 27 -8.377 -9.543 -2.551
232 HB2 ASP 27 2HB ASP 27 -8.876 -9.780 -5.005
233 HB3 ASP 27 3HB ASP 27 -7.136 -9.830 -5.301
234 H MET 28 H MET 28 -6.528 -11.366 -2.420
235 HA MET 28 HA MET 28 -4.440 -10.339 -0.835
236 HB2 MET 28 2HB MET 28 -3.411 -12.515 -0.962
237 HB3 MET 28 3HB MET 28 -5.156 -12.705 -0.819
238 HG2 MET 28 2HG MET 28 -5.377 -13.299 -3.140
239 HG3 MET 28 3HG MET 28 -3.739 -12.811 -3.518
240 HE1 MET 28 3HE MET 28 -1.404 -15.522 -2.431
241 HE2 MET 28 1HE MET 28 -1.683 -14.038 -3.374
242 HE3 MET 28 2HE MET 28 -1.719 -13.984 -1.600
243 H SER 29 H SER 29 -4.480 -10.528 -4.321
244 HA SER 29 HA SER 29 -1.579 -10.097 -4.584
245 HB2 SER 29 2HB SER 29 -2.786 -11.555 -6.165
246 HB3 SER 29 3HB SER 29 -3.750 -10.167 -6.709
247 HG SER 29 HG SER 29 -1.903 -10.592 -8.048
248 H THR 30 H THR 30 -4.636 -8.251 -5.187
249 HA THR 30 HA THR 30 -3.190 -5.874 -6.030
250 HB THR 30 HB THR 30 -5.641 -4.897 -5.750
251 HG1 THR 30 1HG THR 30 -6.376 -7.423 -6.563
252 HG21 THR 30 1HG2 THR 30 -4.726 -6.811 -7.946
253 HG22 THR 30 2HG2 THR 30 -4.441 -5.060 -7.875
254 HG23 THR 30 3HG2 THR 30 -6.088 -5.674 -8.088
255 H ARG 31 H ARG 31 -4.771 -6.829 -2.974
256 HA ARG 31 HA ARG 31 -4.373 -4.349 -1.604
257 HB2 ARG 31 2HB ARG 31 -4.328 -7.246 -0.629
258 HB3 ARG 31 3HB ARG 31 -4.274 -5.849 0.462
259 HG2 ARG 31 2HG ARG 31 -6.443 -5.049 -0.535
260 HG3 ARG 31 3HG ARG 31 -6.552 -6.575 -1.413
261 HD2 ARG 31 2HD ARG 31 -6.503 -6.211 1.592
262 HD3 ARG 31 3HD ARG 31 -7.912 -6.615 0.621
263 HE ARG 31 HE ARG 31 -5.616 -8.386 1.346
264 HH11 ARG 31 2HH1 ARG 31 -8.699 -8.309 -0.397
265 HH12 ARG 31 1HH1 ARG 31 -8.914 -10.019 -0.131
266 HH21 ARG 31 2HH2 ARG 31 -5.882 -10.381 1.492
267 HH22 ARG 31 1HH2 ARG 31 -7.289 -11.233 0.842
268 H GLU 32 H GLU 32 -2.158 -7.143 -1.946
269 HA GLU 32 HA GLU 32 0.066 -5.927 -0.589
270 HB2 GLU 32 2HB GLU 32 -0.087 -8.051 -2.770
271 HB3 GLU 32 3HB GLU 32 1.441 -7.484 -2.080
272 HG2 GLU 32 2HG GLU 32 0.700 -8.138 0.170
273 HG3 GLU 32 3HG GLU 32 -0.819 -8.742 -0.488
274 H GLU 33 H GLU 33 -0.878 -5.871 -4.055
275 HA GLU 33 HA GLU 33 1.319 -4.509 -5.091
276 HB2 GLU 33 2HB GLU 33 -0.513 -5.469 -6.467
277 HB3 GLU 33 3HB GLU 33 -1.604 -4.200 -5.911
278 HG2 GLU 33 2HG GLU 33 -0.142 -2.485 -6.994
279 HG3 GLU 33 3HG GLU 33 0.854 -3.791 -7.632
280 H ILE 34 H ILE 34 -1.490 -2.968 -3.452
281 HA ILE 34 HA ILE 34 -0.306 -0.314 -3.893
282 HB ILE 34 HB ILE 34 -2.200 0.662 -3.140
283 HG12 ILE 34 2HG1 ILE 34 -4.038 -0.799 -1.883
284 HG13 ILE 34 3HG1 ILE 34 -2.633 -1.704 -1.336
285 HG21 ILE 34 1HG2 ILE 34 -3.999 -0.361 -4.299
286 HG22 ILE 34 2HG2 ILE 34 -2.540 -0.921 -5.130
287 HG23 ILE 34 3HG2 ILE 34 -3.408 -1.980 -3.985
288 HD11 ILE 34 3HD1 ILE 34 -1.709 0.433 -0.350
289 HD12 ILE 34 1HD1 ILE 34 -3.309 0.047 0.261
290 HD13 ILE 34 2HD1 ILE 34 -3.127 1.300 -0.980
291 H ALA 35 H ALA 35 -0.314 -2.694 -1.309
292 HA ALA 35 HA ALA 35 0.499 -0.937 0.817
293 HB1 ALA 35 1HB ALA 35 -0.634 -3.101 1.165
294 HB2 ALA 35 2HB ALA 35 0.764 -3.954 0.479
295 HB3 ALA 35 3HB ALA 35 0.923 -3.062 1.996
296 H VAL 36 H VAL 36 2.189 -2.704 -1.644
297 HA VAL 36 HA VAL 36 4.731 -3.041 -0.547
298 HB VAL 36 HB VAL 36 3.426 -3.080 -3.240
299 HG11 VAL 36 1HG1 VAL 36 5.451 -2.003 -3.973
300 HG12 VAL 36 2HG1 VAL 36 6.446 -3.209 -3.107
301 HG13 VAL 36 3HG1 VAL 36 5.411 -3.689 -4.478
302 HG21 VAL 36 3HG2 VAL 36 3.529 -5.008 -1.606
303 HG22 VAL 36 1HG2 VAL 36 4.118 -5.369 -3.233
304 HG23 VAL 36 2HG2 VAL 36 5.274 -5.092 -1.903
305 H TRP 37 H TRP 37 3.509 -0.128 -2.120
306 HA TRP 37 HA TRP 37 6.167 1.168 -1.699
307 HB2 TRP 37 2HB TRP 37 5.422 2.730 -3.528
308 HB3 TRP 37 3HB TRP 37 5.826 1.097 -3.999
309 HD1 TRP 37 1HD TRP 37 3.871 -0.540 -4.725
310 HE1 TRP 37 1HE TRP 37 1.485 -0.210 -5.466
311 HE3 TRP 37 3HE TRP 37 3.402 4.395 -3.531
312 HZ2 TRP 37 2HZ TRP 37 -0.427 2.010 -5.666
313 HZ3 TRP 37 3HZ TRP 37 1.284 5.617 -4.034
314 HH2 TRP 37 2HH TRP 37 -0.634 4.432 -5.067
315 H THR 38 H THR 38 3.401 0.942 -0.110
316 HA THR 38 HA THR 38 3.343 3.835 0.694
317 HB THR 38 HB THR 38 1.032 3.456 1.455
318 HG1 THR 38 1HG THR 38 0.860 1.177 -0.094
319 HG21 THR 38 1HG2 THR 38 1.553 2.749 -1.477
320 HG22 THR 38 2HG2 THR 38 1.437 4.379 -0.795
321 HG23 THR 38 3HG2 THR 38 0.009 3.323 -0.802
322 H ASN 39 H ASN 39 4.760 1.145 1.731
323 HA ASN 39 HA ASN 39 5.478 0.298 3.679
324 HB2 ASN 39 2HB ASN 39 6.244 2.732 3.864
325 HB3 ASN 39 3HB ASN 39 4.889 2.976 4.961
326 HD21 ASN 39 1HD2 ASN 39 6.700 3.601 6.456
327 HD22 ASN 39 2HD2 ASN 39 7.501 2.306 7.335
328 H LEU 40 H LEU 40 2.931 -0.397 3.077
329 HA LEU 40 HA LEU 40 1.648 -0.847 5.754
330 HB2 LEU 40 2HB LEU 40 0.403 -0.648 2.982
331 HB3 LEU 40 3HB LEU 40 -0.474 -1.154 4.410
332 HG LEU 40 HG LEU 40 0.751 1.603 3.992
333 HD11 LEU 40 1HD1 LEU 40 -1.588 2.324 3.807
334 HD12 LEU 40 2HD1 LEU 40 -1.193 1.143 2.551
335 HD13 LEU 40 3HD1 LEU 40 -2.141 0.639 3.970
336 HD21 LEU 40 3HD2 LEU 40 -0.607 2.188 6.007
337 HD22 LEU 40 1HD2 LEU 40 -0.987 0.470 6.229
338 HD23 LEU 40 2HD2 LEU 40 0.691 1.048 6.374
339 H THR 41 H THR 41 0.150 -2.887 5.508
340 HA THR 41 HA THR 41 1.430 -5.037 3.893
341 HB THR 41 HB THR 41 2.172 -5.386 6.201
342 HG1 THR 41 1HG THR 41 1.525 -7.508 6.263
343 HG21 THR 41 1HG2 THR 41 0.315 -4.420 7.483
344 HG22 THR 41 2HG2 THR 41 0.556 -6.114 7.930
345 HG23 THR 41 3HG2 THR 41 -0.794 -5.669 6.864
346 H GLU 42 H GLU 42 -0.166 -6.829 3.439
347 HA GLU 42 HA GLU 42 -2.396 -5.606 2.190
348 HB2 GLU 42 2HB GLU 42 -2.920 -7.690 1.310
349 HB3 GLU 42 3HB GLU 42 -1.184 -7.648 1.500
350 HG2 GLU 42 2HG GLU 42 -1.653 -9.778 2.187
351 HG3 GLU 42 3HG GLU 42 -1.572 -8.939 3.730
352 H ALA 43 H ALA 43 -2.205 -7.121 5.343
353 HA ALA 43 HA ALA 43 -5.004 -7.300 5.893
354 HB1 ALA 43 1HB ALA 43 -3.266 -8.496 7.168
355 HB2 ALA 43 2HB ALA 43 -2.647 -6.951 7.799
356 HB3 ALA 43 3HB ALA 43 -4.277 -7.503 8.234
357 H ARG 44 H ARG 44 -2.703 -4.578 6.316
358 HA ARG 44 HA ARG 44 -4.538 -2.750 7.634
359 HB2 ARG 44 2HB ARG 44 -2.125 -2.239 5.820
360 HB3 ARG 44 3HB ARG 44 -3.017 -0.974 6.616
361 HG2 ARG 44 2HG ARG 44 -1.598 -3.191 8.147
362 HG3 ARG 44 3HG ARG 44 -0.909 -1.593 7.793
363 HD2 ARG 44 2HD ARG 44 -2.911 -0.549 8.904
364 HD3 ARG 44 3HD ARG 44 -3.424 -2.186 9.380
365 HE ARG 44 HE ARG 44 -0.768 -1.821 10.296
366 HH11 ARG 44 2HH2 ARG 44 -3.954 -0.523 11.005
367 HH12 ARG 44 1HH2 ARG 44 -3.484 -0.056 12.628
368 HH21 ARG 44 2HH1 ARG 44 -0.298 -1.232 12.430
369 HH22 ARG 44 1HH1 ARG 44 -1.541 -0.467 13.389
370 H VAL 45 H VAL 45 -3.764 -3.362 4.222
371 HA VAL 45 HA VAL 45 -5.605 -1.423 3.161
372 HB VAL 45 HB VAL 45 -4.750 -4.001 1.794
373 HG11 VAL 45 1HG1 VAL 45 -6.534 -2.765 0.625
374 HG12 VAL 45 2HG1 VAL 45 -5.576 -1.271 0.721
375 HG13 VAL 45 3HG1 VAL 45 -5.011 -2.635 -0.260
376 HG21 VAL 45 3HG2 VAL 45 -3.281 -1.348 2.059
377 HG22 VAL 45 1HG2 VAL 45 -2.697 -2.962 2.508
378 HG23 VAL 45 2HG2 VAL 45 -2.914 -2.562 0.814
379 H ARG 46 H ARG 46 -5.991 -4.934 3.845
380 HA ARG 46 HA ARG 46 -8.700 -5.151 3.038
381 HB2 ARG 46 2HB ARG 46 -6.887 -6.939 3.745
382 HB3 ARG 46 3HB ARG 46 -7.568 -6.751 5.362
383 HG2 ARG 46 2HG ARG 46 -9.802 -7.393 4.471
384 HG3 ARG 46 3HG ARG 46 -9.126 -7.447 2.828
385 HD2 ARG 46 2HD ARG 46 -7.476 -9.197 3.672
386 HD3 ARG 46 3HD ARG 46 -8.425 -9.253 5.172
387 HE ARG 46 HE ARG 46 -10.117 -9.563 2.860
388 HH11 ARG 46 2HH2 ARG 46 -7.784 -11.430 4.685
389 HH12 ARG 46 1HH2 ARG 46 -8.524 -12.951 4.265
390 HH21 ARG 46 2HH1 ARG 46 -11.050 -11.547 2.401
391 HH22 ARG 46 1HH1 ARG 46 -10.312 -13.005 2.987
392 H VAL 47 H VAL 47 -7.417 -4.330 6.271
393 HA VAL 47 HA VAL 47 -9.948 -3.925 7.570
394 HB VAL 47 HB VAL 47 -7.157 -2.843 8.102
395 HG11 VAL 47 1HG1 VAL 47 -8.660 -1.188 9.088
396 HG12 VAL 47 2HG1 VAL 47 -9.656 -2.475 9.811
397 HG13 VAL 47 3HG1 VAL 47 -7.987 -2.199 10.365
398 HG21 VAL 47 3HG2 VAL 47 -7.196 -4.436 9.944
399 HG22 VAL 47 1HG2 VAL 47 -8.894 -4.857 9.590
400 HG23 VAL 47 2HG2 VAL 47 -7.598 -5.292 8.456
401 H TRP 48 H TRP 48 -7.815 -1.580 5.842
402 HA TRP 48 HA TRP 48 -9.462 0.682 6.360
403 HB2 TRP 48 2HB TRP 48 -7.088 0.694 5.546
404 HB3 TRP 48 3HB TRP 48 -7.677 0.207 3.956
405 HD1 TRP 48 1HD TRP 48 -7.376 3.161 6.290
406 HE1 TRP 48 1HE TRP 48 -8.096 5.323 5.115
407 HE3 TRP 48 3HE TRP 48 -9.394 1.150 2.035
408 HZ2 TRP 48 2HZ TRP 48 -9.291 6.090 2.601
409 HZ3 TRP 48 3HZ TRP 48 -10.366 2.609 0.291
410 HH2 TRP 48 2HH TRP 48 -10.362 5.071 0.579
411 H PHE 49 H PHE 49 -9.420 -1.502 3.486
412 HA PHE 49 HA PHE 49 -11.645 -0.234 2.178
413 HB2 PHE 49 2HB PHE 49 -10.190 -2.862 1.894
414 HB3 PHE 49 3HB PHE 49 -11.730 -2.642 1.091
415 HD1 PHE 49 2HD PHE 49 -8.314 -1.051 1.362
416 HD2 PHE 49 1HD PHE 49 -11.948 -1.449 -0.931
417 HE1 PHE 49 2HE PHE 49 -7.273 0.201 -0.498
418 HE2 PHE 49 1HE PHE 49 -10.884 -0.245 -2.782
419 HZ PHE 49 HZ PHE 49 -8.577 0.633 -2.573
420 H LYS 50 H LYS 50 -11.530 -2.775 4.647
421 HA LYS 50 HA LYS 50 -14.342 -3.465 4.522
422 HB2 LYS 50 2HB LYS 50 -12.658 -4.927 5.536
423 HB3 LYS 50 3HB LYS 50 -12.357 -3.739 6.815
424 HG2 LYS 50 2HG LYS 50 -14.646 -4.025 7.664
425 HG3 LYS 50 3HG LYS 50 -15.057 -5.050 6.285
426 HD2 LYS 50 2HD LYS 50 -14.712 -6.435 8.225
427 HD3 LYS 50 3HD LYS 50 -13.421 -6.753 7.058
428 HE2 LYS 50 2HE LYS 50 -11.878 -5.311 8.355
429 HE3 LYS 50 3HE LYS 50 -13.182 -4.906 9.481
430 HZ1 LYS 50 3HZ LYS 50 -11.780 -6.681 10.365
431 HZ2 LYS 50 1HZ LYS 50 -12.072 -7.636 9.074
432 HZ3 LYS 50 2HZ LYS 50 -13.281 -7.262 10.108
433 H ASN 51 H ASN 51 -12.561 -1.018 6.424
434 HA ASN 51 HA ASN 51 -14.996 0.080 7.614
435 HB2 ASN 51 2HB ASN 51 -12.147 1.108 7.304
436 HB3 ASN 51 3HB ASN 51 -13.439 2.098 7.983
437 HD21 ASN 51 1HD2 ASN 51 -11.548 -0.883 8.497
438 HD22 ASN 51 2HD2 ASN 51 -11.920 -0.953 10.215
439 H ARG 52 H ARG 52 -13.096 0.991 4.694
440 HA ARG 52 HA ARG 52 -14.625 3.271 4.040
441 HB2 ARG 52 2HB ARG 52 -12.346 2.499 3.086
442 HB3 ARG 52 3HB ARG 52 -13.265 1.443 2.020
443 HG2 ARG 52 2HG ARG 52 -12.733 3.425 0.786
444 HG3 ARG 52 3HG ARG 52 -14.464 3.457 1.095
445 HD2 ARG 52 2HD ARG 52 -14.101 5.060 2.966
446 HD3 ARG 52 3HD ARG 52 -12.357 4.966 2.697
447 HE ARG 52 HE ARG 52 -14.189 5.879 0.512
448 HH11 ARG 52 2HH2 ARG 52 -11.558 6.812 2.691
449 HH12 ARG 52 1HH2 ARG 52 -11.243 8.252 1.709
450 HH21 ARG 52 2HH1 ARG 52 -13.694 7.856 -0.506
451 HH22 ARG 52 1HH1 ARG 52 -12.320 8.767 0.124
452 H ARG 53 H ARG 53 -15.181 -0.111 2.993
453 HA ARG 53 HA ARG 53 -17.386 0.570 1.281
454 HB2 ARG 53 2HB ARG 53 -17.815 -1.741 1.055
455 HB3 ARG 53 3HB ARG 53 -16.067 -1.531 1.135
456 HG2 ARG 53 2HG ARG 53 -16.214 -2.168 3.599
457 HG3 ARG 53 3HG ARG 53 -17.920 -2.568 3.327
458 HD2 ARG 53 2HD ARG 53 -17.191 -4.176 1.539
459 HD3 ARG 53 3HD ARG 53 -15.502 -3.815 1.961
460 HE ARG 53 HE ARG 53 -17.046 -4.612 4.283
461 HH11 ARG 53 2HH1 ARG 53 -15.426 -6.028 1.518
462 HH12 ARG 53 1HH1 ARG 53 -15.250 -7.575 2.299
463 HH21 ARG 53 2HH2 ARG 53 -16.826 -6.625 5.201
464 HH22 ARG 53 1HH2 ARG 53 -16.015 -7.891 4.333
465 H ALA 54 H ALA 54 -17.299 -0.071 4.768
466 HA ALA 54 HA ALA 54 -20.177 -0.057 5.102
467 HB1 ALA 54 1HB ALA 54 -18.624 -1.008 6.772
468 HB2 ALA 54 2HB ALA 54 -17.951 0.607 7.083
469 HB3 ALA 54 3HB ALA 54 -19.646 0.260 7.475
470 H LYS 55 H LYS 55 -17.660 2.511 5.300
471 HA LYS 55 HA LYS 55 -19.479 4.664 5.916
472 HB2 LYS 55 2HB LYS 55 -16.680 4.614 4.704
473 HB3 LYS 55 3HB LYS 55 -17.546 6.104 5.107
474 HG2 LYS 55 2HG LYS 55 -17.718 5.432 7.462
475 HG3 LYS 55 3HG LYS 55 -16.894 3.903 7.120
476 HD2 LYS 55 2HD LYS 55 -14.867 5.142 6.402
477 HD3 LYS 55 3HD LYS 55 -15.695 6.682 6.734
478 HE2 LYS 55 2HE LYS 55 -15.990 5.980 9.116
479 HE3 LYS 55 3HE LYS 55 -15.113 4.484 8.775
480 HZ1 LYS 55 3HZ LYS 55 -13.650 6.174 9.728
481 HZ2 LYS 55 1HZ LYS 55 -13.982 7.225 8.527
482 HZ3 LYS 55 2HZ LYS 55 -13.163 5.847 8.205
483 H TRP 56 H TRP 56 -18.403 3.311 2.802
484 HA TRP 56 HA TRP 56 -19.786 5.195 1.123
485 HB2 TRP 56 2HB TRP 56 -18.240 3.875 -0.004
486 HB3 TRP 56 3HB TRP 56 -18.707 2.412 0.850
487 HD1 TRP 56 1HD TRP 56 -20.614 4.781 -1.562
488 HE1 TRP 56 1HE TRP 56 -22.022 3.321 -3.187
489 HE3 TRP 56 3HE TRP 56 -19.285 0.144 0.104
490 HZ2 TRP 56 2HZ TRP 56 -22.473 0.558 -3.698
491 HZ3 TRP 56 3HZ TRP 56 -20.272 -1.896 -0.917
492 HH2 TRP 56 2HH TRP 56 -21.850 -1.707 -2.832
493 H ARG 57 H ARG 57 -20.837 1.966 2.358
494 HA ARG 57 HA ARG 57 -23.462 2.070 1.304
495 HB2 ARG 57 2HB ARG 57 -22.223 0.590 3.652
496 HB3 ARG 57 3HB ARG 57 -23.926 0.370 3.215
497 HG2 ARG 57 2HG ARG 57 -23.341 -0.404 0.986
498 HG3 ARG 57 3HG ARG 57 -21.644 -0.019 1.255
499 HD2 ARG 57 2HD ARG 57 -21.893 -2.398 1.507
500 HD3 ARG 57 3HD ARG 57 -21.521 -1.688 3.073
501 HE ARG 57 HE ARG 57 -23.597 -2.337 3.884
502 HH11 ARG 57 2HH1 ARG 57 -23.710 -2.759 0.404
503 HH12 ARG 57 1HH1 ARG 57 -25.227 -3.614 0.470
504 HH21 ARG 57 2HH2 ARG 57 -25.529 -3.425 3.888
505 HH22 ARG 57 1HH2 ARG 57 -26.222 -3.976 2.393
506 H LYS 58 H LYS 58 -22.298 3.590 4.258
507 HA LYS 58 HA LYS 58 -24.870 4.313 5.369
508 HB2 LYS 58 2HB LYS 58 -22.026 5.227 5.729
509 HB3 LYS 58 3HB LYS 58 -23.268 6.395 6.126
510 HG2 LYS 58 2HG LYS 58 -22.799 5.317 8.138
511 HG3 LYS 58 3HG LYS 58 -24.370 4.706 7.617
512 HD2 LYS 58 2HD LYS 58 -23.234 2.615 6.783
513 HD3 LYS 58 3HD LYS 58 -21.685 3.305 7.299
514 HE2 LYS 58 2HE LYS 58 -22.340 1.751 8.966
515 HE3 LYS 58 3HE LYS 58 -22.459 3.377 9.639
516 HZ1 LYS 58 3HZ LYS 58 -24.875 3.270 9.291
517 HZ2 LYS 58 1HZ LYS 58 -24.397 2.008 10.203
518 HZ3 LYS 58 2HZ LYS 58 -24.761 1.777 8.631
519 H ARG 59 H ARG 59 -23.124 5.662 2.653
520 HA ARG 59 HA ARG 59 -25.055 7.967 2.482
521 HB2 ARG 59 2HB ARG 59 -22.203 7.734 1.440
522 HB3 ARG 59 3HB ARG 59 -23.249 9.146 1.291
523 HG2 ARG 59 2HG ARG 59 -22.152 8.012 3.901
524 HG3 ARG 59 3HG ARG 59 -21.586 9.447 3.050
525 HD2 ARG 59 2HD ARG 59 -23.873 10.478 3.354
526 HD3 ARG 59 3HD ARG 59 -24.338 9.070 4.306
527 HE ARG 59 HE ARG 59 -23.039 9.781 6.094
528 HH11 ARG 59 2HH1 ARG 59 -22.368 11.931 3.402
529 HH12 ARG 59 1HH1 ARG 59 -21.546 13.083 4.417
530 HH21 ARG 59 2HH2 ARG 59 -21.979 11.293 7.319
531 HH22 ARG 59 1HH2 ARG 59 -21.334 12.726 6.572
532 H GLU 60 H GLU 60 -23.840 5.236 0.733
533 HA GLU 60 HA GLU 60 -24.254 4.339 -1.285
534 HB2 GLU 60 2HB GLU 60 -26.944 5.723 -1.087
535 HB3 GLU 60 3HB GLU 60 -26.524 4.374 -2.152
536 HG2 GLU 60 2HG GLU 60 -25.981 2.982 -0.145
537 HG3 GLU 60 3HG GLU 60 -26.524 4.301 0.895
538 H GLU 61 H GLU 61 -22.663 6.561 -1.396
539 HA GLU 61 HA GLU 61 -23.311 8.477 -3.418
540 HB2 GLU 61 2HB GLU 61 -20.684 7.395 -2.325
541 HB3 GLU 61 3HB GLU 61 -20.739 8.697 -3.505
542 HG2 GLU 61 2HG GLU 61 -22.173 8.835 -0.822
543 HG3 GLU 61 3HG GLU 61 -20.524 9.384 -1.068
544 H PHE 62 H PHE 62 -22.072 5.247 -3.708
545 HA PHE 62 HA PHE 62 -22.204 5.368 -6.685
546 HB2 PHE 62 2HB PHE 62 -19.877 5.160 -6.019
547 HB3 PHE 62 3HB PHE 62 -20.253 3.856 -4.908
548 HD1 PHE 62 1HD PHE 62 -20.391 4.739 -8.564
549 HD2 PHE 62 2HD PHE 62 -20.128 1.604 -5.609
550 HE1 PHE 62 1HE PHE 62 -20.030 3.064 -10.365
551 HE2 PHE 62 2HE PHE 62 -19.748 -0.058 -7.409
552 HZ PHE 62 HZ PHE 62 -19.711 0.664 -9.790
553 H ILE 63 H ILE 63 -23.160 3.535 -7.678
554 HA ILE 63 HA ILE 63 -24.534 1.558 -5.922
555 HB ILE 63 HB ILE 63 -25.919 3.218 -8.057
556 HG12 ILE 63 2HG1 ILE 63 -26.242 3.118 -5.018
557 HG13 ILE 63 3HG1 ILE 63 -25.618 4.470 -5.966
558 HG21 ILE 63 1HG2 ILE 63 -27.016 0.959 -6.312
559 HG22 ILE 63 2HG2 ILE 63 -27.948 1.934 -7.470
560 HG23 ILE 63 3HG2 ILE 63 -26.710 0.855 -8.061
561 HD11 ILE 63 3HD1 ILE 63 -28.475 3.479 -5.907
562 HD12 ILE 63 1HD1 ILE 63 -27.856 4.671 -7.084
563 HD13 ILE 63 2HD1 ILE 63 -27.830 5.025 -5.342
564 H VAL 64 H VAL 64 -24.430 -0.454 -6.688
565 HA VAL 64 HA VAL 64 -23.251 -1.025 -9.352
566 HB VAL 64 HB VAL 64 -24.031 -2.904 -7.091
567 HG11 VAL 64 1HG1 VAL 64 -24.035 -4.070 -9.265
568 HG12 VAL 64 2HG1 VAL 64 -22.429 -3.404 -9.641
569 HG13 VAL 64 3HG1 VAL 64 -22.638 -4.559 -8.309
570 HG21 VAL 64 3HG2 VAL 64 -21.589 -3.112 -6.718
571 HG22 VAL 64 1HG2 VAL 64 -21.292 -1.874 -7.958
572 HG23 VAL 64 2HG2 VAL 64 -22.127 -1.454 -6.446
573 H THR 65 H THR 65 -24.502 -1.419 -11.076
574 HA THR 65 HA THR 65 -27.417 -1.975 -10.682
575 HB THR 65 HB THR 65 -27.737 -0.708 -12.785
576 HG1 THR 65 1HG THR 65 -25.998 0.495 -13.566
577 HG21 THR 65 1HG2 THR 65 -27.887 0.429 -10.563
578 HG22 THR 65 2HG2 THR 65 -27.368 1.511 -11.868
579 HG23 THR 65 3HG2 THR 65 -26.174 0.886 -10.708
580 H ASP 66 H ASP 66 -24.621 -3.310 -12.111
581 HA ASP 66 HA ASP 66 -26.048 -4.829 -14.195
582 HB2 ASP 66 2HB ASP 66 -23.915 -5.578 -14.915
583 HB3 ASP 66 3HB ASP 66 -23.850 -3.844 -14.673
Start of MODEL 6
1 H1 GLY -1 1H GLY -1 -13.343 0.507 24.490
2 H2 GLY -1 2H GLY -1 -12.004 -0.097 25.212
3 H3 GLY -1 3H GLY -1 -13.038 -1.100 24.430
4 HA2 GLY -1 2HA GLY -1 -12.519 -0.082 22.304
5 HA3 GLY -1 3HA GLY -1 -11.415 1.011 23.153
6 H SER 0 H SER 0 -11.740 -2.039 21.616
7 HA SER 0 HA SER 0 -9.680 -3.515 22.938
8 HB2 SER 0 2HB SER 0 -10.709 -3.827 20.093
9 HB3 SER 0 3HB SER 0 -9.876 -5.056 21.059
10 HG SER 0 HG SER 0 -11.637 -5.092 22.481
11 H GLN 1 H GLN 1 -9.504 -1.202 20.254
12 HA GLN 1 HA GLN 1 -6.652 -1.751 19.730
13 HB2 GLN 1 2HB GLN 1 -8.484 0.476 18.749
14 HB3 GLN 1 3HB GLN 1 -6.792 0.248 18.279
15 HG2 GLN 1 2HG GLN 1 -7.362 -2.014 17.374
16 HG3 GLN 1 3HG GLN 1 -9.058 -1.732 17.771
17 HE21 GLN 1 2HE2 GLN 1 -9.020 -2.283 15.282
18 HE22 GLN 1 1HE2 GLN 1 -8.935 -0.871 14.239
19 H ARG 2 H ARG 2 -5.017 -0.887 20.832
20 HA ARG 2 HA ARG 2 -5.637 0.974 23.073
21 HB2 ARG 2 2HB ARG 2 -3.227 -0.835 22.697
22 HB3 ARG 2 3HB ARG 2 -3.684 0.035 24.155
23 HG2 ARG 2 2HG ARG 2 -5.102 -2.341 22.896
24 HG3 ARG 2 3HG ARG 2 -4.268 -2.279 24.440
25 HD2 ARG 2 2HD ARG 2 -6.880 -0.879 23.737
26 HD3 ARG 2 3HD ARG 2 -6.694 -2.308 24.752
27 HE ARG 2 HE ARG 2 -5.126 -0.580 26.097
28 HH11 ARG 2 2HH2 ARG 2 -8.423 -0.117 24.941
29 HH12 ARG 2 1HH2 ARG 2 -8.743 1.098 26.153
30 HH21 ARG 2 2HH1 ARG 2 -5.641 0.952 27.607
31 HH22 ARG 2 1HH1 ARG 2 -7.228 1.658 27.630
32 H ARG 3 H ARG 3 -4.562 1.495 20.105
33 HA ARG 3 HA ARG 3 -2.269 3.206 20.424
34 HB2 ARG 3 2HB ARG 3 -2.754 3.922 18.127
35 HB3 ARG 3 3HB ARG 3 -2.854 2.169 18.289
36 HG2 ARG 3 2HG ARG 3 -5.365 2.367 18.450
37 HG3 ARG 3 3HG ARG 3 -5.213 4.107 18.165
38 HD2 ARG 3 2HD ARG 3 -4.228 3.681 15.951
39 HD3 ARG 3 3HD ARG 3 -4.223 1.942 16.267
40 HE ARG 3 HE ARG 3 -6.519 1.818 15.887
41 HH11 ARG 3 2HH1 ARG 3 -5.723 5.243 16.018
42 HH12 ARG 3 1HH1 ARG 3 -7.352 5.689 15.556
43 HH21 ARG 3 2HH2 ARG 3 -8.455 2.428 15.360
44 HH22 ARG 3 1HH2 ARG 3 -8.875 4.115 15.116
45 H GLN 4 H GLN 4 -2.065 5.429 20.376
46 HA GLN 4 HA GLN 4 -4.229 6.931 21.707
47 HB2 GLN 4 2HB GLN 4 -1.934 6.915 22.589
48 HB3 GLN 4 3HB GLN 4 -1.329 7.602 21.085
49 HG2 GLN 4 2HG GLN 4 -1.438 9.286 22.834
50 HG3 GLN 4 3HG GLN 4 -2.523 9.710 21.526
51 HE21 GLN 4 2HE2 GLN 4 -4.880 9.457 21.902
52 HE22 GLN 4 1HE2 GLN 4 -5.475 9.455 23.567
53 H ARG 5 H ARG 5 -2.910 6.694 18.496
54 HA ARG 5 HA ARG 5 -4.469 9.057 17.529
55 HB2 ARG 5 2HB ARG 5 -1.533 8.456 16.926
56 HB3 ARG 5 3HB ARG 5 -2.502 9.688 16.113
57 HG2 ARG 5 2HG ARG 5 -2.897 10.806 18.323
58 HG3 ARG 5 3HG ARG 5 -1.759 9.675 19.069
59 HD2 ARG 5 2HD ARG 5 -1.094 11.564 16.774
60 HD3 ARG 5 3HD ARG 5 -0.772 11.889 18.485
61 HE ARG 5 HE ARG 5 0.423 9.396 17.882
62 HH11 ARG 5 2HH1 ARG 5 0.930 12.751 17.007
63 HH12 ARG 5 1HH1 ARG 5 2.637 12.519 16.740
64 HH21 ARG 5 2HH2 ARG 5 2.605 9.168 17.516
65 HH22 ARG 5 1HH2 ARG 5 3.552 10.541 17.024
66 H THR 6 H THR 6 -4.373 9.117 15.045
67 HA THR 6 HA THR 6 -5.526 6.788 13.885
68 HB THR 6 HB THR 6 -4.149 9.072 12.424
69 HG1 THR 6 1HG THR 6 -6.173 10.057 12.524
70 HG21 THR 6 1HG2 THR 6 -6.469 7.236 11.646
71 HG22 THR 6 2HG2 THR 6 -4.849 7.250 10.912
72 HG23 THR 6 3HG2 THR 6 -5.911 8.641 10.711
73 H HIS 7 H HIS 7 -4.679 5.045 12.828
74 HA HIS 7 HA HIS 7 -1.779 4.630 13.084
75 HB2 HIS 7 2HB HIS 7 -4.116 3.015 13.377
76 HB3 HIS 7 3HB HIS 7 -3.215 2.333 12.042
77 HD2 HIS 7 2HD HIS 7 -1.782 3.897 15.346
78 HE1 HIS 7 1HE HIS 7 -0.592 -0.196 15.236
79 HE2 HIS 7 2HE HIS 7 -0.394 1.992 16.521
80 H PHE 8 H PHE 8 -3.503 5.888 10.615
81 HA PHE 8 HA PHE 8 -1.519 5.007 8.556
82 HB2 PHE 8 2HB PHE 8 -4.378 5.930 8.153
83 HB3 PHE 8 3HB PHE 8 -3.204 5.649 6.875
84 HD1 PHE 8 2HD PHE 8 -5.189 3.943 9.553
85 HD2 PHE 8 1HD PHE 8 -2.882 3.489 5.938
86 HE1 PHE 8 2HE PHE 8 -5.989 1.603 9.336
87 HE2 PHE 8 1HE PHE 8 -3.725 1.168 5.697
88 HZ PHE 8 HZ PHE 8 -5.275 0.218 7.403
89 H THR 9 H THR 9 -0.847 6.673 7.075
90 HA THR 9 HA THR 9 -0.728 9.364 8.345
91 HB THR 9 HB THR 9 1.143 9.866 7.078
92 HG1 THR 9 1HG THR 9 1.848 8.522 5.369
93 HG21 THR 9 1HG2 THR 9 1.473 6.879 7.537
94 HG22 THR 9 2HG2 THR 9 1.614 8.114 8.807
95 HG23 THR 9 3HG2 THR 9 2.753 8.104 7.446
96 H SER 10 H SER 10 -1.068 11.310 7.117
97 HA SER 10 HA SER 10 -3.285 11.319 5.342
98 HB2 SER 10 2HB SER 10 -1.187 13.483 5.532
99 HB3 SER 10 3HB SER 10 -2.903 13.627 5.076
100 HG SER 10 HG SER 10 -2.528 14.280 7.253
101 H GLN 11 H GLN 11 -0.132 10.309 4.574
102 HA GLN 11 HA GLN 11 -0.440 10.929 1.682
103 HB2 GLN 11 2HB GLN 11 1.772 11.198 2.868
104 HB3 GLN 11 3HB GLN 11 1.807 9.441 3.089
105 HG2 GLN 11 2HG GLN 11 1.671 9.156 0.606
106 HG3 GLN 11 3HG GLN 11 1.643 10.915 0.422
107 HE21 GLN 11 2HE2 GLN 11 3.639 12.134 1.115
108 HE22 GLN 11 1HE2 GLN 11 5.171 11.272 1.100
109 H GLN 12 H GLN 12 -0.354 8.123 3.960
110 HA GLN 12 HA GLN 12 -0.675 6.066 1.978
111 HB2 GLN 12 2HB GLN 12 -1.398 6.198 4.931
112 HB3 GLN 12 3HB GLN 12 -1.476 4.721 3.952
113 HG2 GLN 12 2HG GLN 12 0.865 4.766 3.491
114 HG3 GLN 12 3HG GLN 12 1.088 6.308 4.304
115 HE21 GLN 12 2HE2 GLN 12 2.263 3.637 4.843
116 HE22 GLN 12 1HE2 GLN 12 1.905 3.309 6.535
117 H LEU 13 H LEU 13 -3.021 7.800 4.024
118 HA LEU 13 HA LEU 13 -5.412 6.519 3.252
119 HB2 LEU 13 2HB LEU 13 -4.843 9.402 4.051
120 HB3 LEU 13 3HB LEU 13 -6.458 8.697 3.976
121 HG LEU 13 HG LEU 13 -4.263 7.526 5.750
122 HD11 LEU 13 1HD1 LEU 13 -6.384 9.552 6.535
123 HD12 LEU 13 2HD1 LEU 13 -5.211 8.744 7.614
124 HD13 LEU 13 3HD1 LEU 13 -4.639 9.874 6.384
125 HD21 LEU 13 3HD2 LEU 13 -7.270 7.213 5.681
126 HD22 LEU 13 1HD2 LEU 13 -6.007 5.978 5.363
127 HD23 LEU 13 2HD2 LEU 13 -6.223 6.626 6.991
128 H GLN 14 H GLN 14 -3.611 9.018 1.511
129 HA GLN 14 HA GLN 14 -5.778 9.565 -0.370
130 HB2 GLN 14 2HB GLN 14 -2.841 10.340 -0.412
131 HB3 GLN 14 3HB GLN 14 -4.040 10.860 -1.600
132 HG2 GLN 14 2HG GLN 14 -4.111 11.444 1.378
133 HG3 GLN 14 3HG GLN 14 -3.716 12.593 0.104
134 HE21 GLN 14 2HE2 GLN 14 -6.232 11.312 2.035
135 HE22 GLN 14 1HE2 GLN 14 -7.605 11.665 1.002
136 H GLU 15 H GLU 15 -2.889 7.475 -0.418
137 HA GLU 15 HA GLU 15 -3.359 6.603 -3.170
138 HB2 GLU 15 2HB GLU 15 -1.816 5.175 -0.982
139 HB3 GLU 15 3HB GLU 15 -1.732 4.870 -2.714
140 HG2 GLU 15 2HG GLU 15 -0.765 7.317 -1.201
141 HG3 GLU 15 3HG GLU 15 0.209 6.140 -2.045
142 H LEU 16 H LEU 16 -4.461 5.494 0.004
143 HA LEU 16 HA LEU 16 -5.801 3.116 -0.904
144 HB2 LEU 16 2HB LEU 16 -6.083 4.928 1.516
145 HB3 LEU 16 3HB LEU 16 -7.046 3.475 1.303
146 HG LEU 16 HG LEU 16 -4.020 3.298 1.157
147 HD11 LEU 16 1HD1 LEU 16 -5.707 3.166 3.671
148 HD12 LEU 16 2HD1 LEU 16 -3.979 2.780 3.544
149 HD13 LEU 16 3HD1 LEU 16 -4.538 4.437 3.259
150 HD21 LEU 16 3HD2 LEU 16 -4.462 1.007 1.948
151 HD22 LEU 16 1HD2 LEU 16 -6.208 1.341 1.970
152 HD23 LEU 16 2HD2 LEU 16 -5.313 1.345 0.432
153 H GLU 17 H GLU 17 -7.157 6.436 -0.206
154 HA GLU 17 HA GLU 17 -9.686 5.649 -1.327
155 HB2 GLU 17 2HB GLU 17 -10.508 7.749 -0.979
156 HB3 GLU 17 3HB GLU 17 -9.370 7.509 0.339
157 HG2 GLU 17 2HG GLU 17 -7.750 8.977 -0.737
158 HG3 GLU 17 3HG GLU 17 -8.737 9.102 -2.189
159 H ALA 18 H ALA 18 -6.823 6.850 -2.953
160 HA ALA 18 HA ALA 18 -8.202 7.427 -5.446
161 HB1 ALA 18 1HB ALA 18 -5.262 6.889 -4.862
162 HB2 ALA 18 2HB ALA 18 -5.925 7.519 -6.384
163 HB3 ALA 18 3HB ALA 18 -6.062 8.479 -4.901
164 H THR 19 H THR 19 -6.268 4.563 -4.301
165 HA THR 19 HA THR 19 -6.772 3.110 -6.734
166 HB THR 19 HB THR 19 -4.890 2.773 -5.025
167 HG1 THR 19 1HG THR 19 -4.933 1.484 -6.738
168 HG21 THR 19 1HG2 THR 19 -6.557 2.204 -3.106
169 HG22 THR 19 2HG2 THR 19 -5.127 1.208 -3.300
170 HG23 THR 19 3HG2 THR 19 -6.692 0.616 -3.907
171 H PHE 20 H PHE 20 -8.595 3.407 -3.764
172 HA PHE 20 HA PHE 20 -10.550 1.386 -4.081
173 HB2 PHE 20 2HB PHE 20 -10.340 2.658 -2.056
174 HB3 PHE 20 3HB PHE 20 -10.598 4.168 -2.906
175 HD1 PHE 20 1HD PHE 20 -12.579 0.935 -2.740
176 HD2 PHE 20 2HD PHE 20 -12.517 5.201 -2.137
177 HE1 PHE 20 1HE PHE 20 -14.968 0.876 -2.100
178 HE2 PHE 20 2HE PHE 20 -14.922 5.143 -1.523
179 HZ PHE 20 HZ PHE 20 -16.149 2.981 -1.494
180 H GLN 21 H GLN 21 -10.185 4.427 -5.907
181 HA GLN 21 HA GLN 21 -12.876 4.370 -6.956
182 HB2 GLN 21 2HB GLN 21 -10.408 5.700 -8.139
183 HB3 GLN 21 3HB GLN 21 -12.085 6.053 -8.560
184 HG2 GLN 21 2HG GLN 21 -10.576 6.729 -6.041
185 HG3 GLN 21 3HG GLN 21 -11.340 7.827 -7.169
186 HE21 GLN 21 2HE2 GLN 21 -11.651 6.728 -4.126
187 HE22 GLN 21 1HE2 GLN 21 -13.415 6.759 -3.966
188 H ARG 22 H ARG 22 -9.793 3.070 -8.117
189 HA ARG 22 HA ARG 22 -11.044 2.041 -10.611
190 HB2 ARG 22 2HB ARG 22 -8.818 1.382 -11.268
191 HB3 ARG 22 3HB ARG 22 -8.880 3.096 -10.835
192 HG2 ARG 22 2HG ARG 22 -7.844 2.605 -8.655
193 HG3 ARG 22 3HG ARG 22 -7.781 0.878 -9.040
194 HD2 ARG 22 2HD ARG 22 -6.347 3.105 -10.551
195 HD3 ARG 22 3HD ARG 22 -5.620 2.049 -9.350
196 HE ARG 22 HE ARG 22 -5.847 0.155 -10.800
197 HH11 ARG 22 2HH1 ARG 22 -6.558 3.150 -12.492
198 HH12 ARG 22 1HH1 ARG 22 -6.312 2.418 -14.054
199 HH21 ARG 22 1HH2 ARG 22 -5.554 -0.695 -12.820
200 HH22 ARG 22 2HH2 ARG 22 -5.758 0.306 -14.227
201 H ASN 23 H ASN 23 -10.157 0.833 -7.485
202 HA ASN 23 HA ASN 23 -11.190 -1.857 -8.248
203 HB2 ASN 23 2HB ASN 23 -8.657 -1.812 -8.263
204 HB3 ASN 23 3HB ASN 23 -8.692 -1.364 -6.562
205 HD21 ASN 23 1HD2 ASN 23 -7.372 -3.647 -7.285
206 HD22 ASN 23 2HD2 ASN 23 -8.299 -5.061 -6.807
207 H HIS 24 H HIS 24 -13.101 -1.767 -7.162
208 HA HIS 24 HA HIS 24 -13.352 -0.409 -4.579
209 HB2 HIS 24 2HB HIS 24 -15.281 -1.916 -6.374
210 HB3 HIS 24 3HB HIS 24 -15.737 -1.291 -4.797
211 HD2 HIS 24 2HD HIS 24 -13.851 0.463 -7.793
212 HE1 HIS 24 1HE HIS 24 -17.115 2.931 -6.617
213 HE2 HIS 24 2HE HIS 24 -15.128 2.706 -8.208
214 H TYR 25 H TYR 25 -12.359 -3.545 -5.441
215 HA TYR 25 HA TYR 25 -12.730 -4.591 -2.719
216 HB2 TYR 25 2HB TYR 25 -13.827 -6.700 -3.672
217 HB3 TYR 25 3HB TYR 25 -14.796 -5.274 -3.436
218 HD1 TYR 25 2HD TYR 25 -13.296 -7.472 -6.035
219 HD2 TYR 25 1HD TYR 25 -15.844 -4.083 -5.241
220 HE1 TYR 25 2HE TYR 25 -14.115 -7.532 -8.385
221 HE2 TYR 25 1HE TYR 25 -16.658 -4.142 -7.590
222 HH TYR 25 HH TYR 25 -16.532 -5.192 -9.626
223 HA PRO 26 HA PRO 26 -8.809 -5.847 -4.919
224 HB2 PRO 26 2HB PRO 26 -6.973 -4.993 -3.095
225 HB3 PRO 26 3HB PRO 26 -7.692 -3.923 -4.321
226 HG2 PRO 26 2HG PRO 26 -8.603 -4.292 -1.448
227 HG3 PRO 26 3HG PRO 26 -8.236 -2.757 -2.301
228 HD2 PRO 26 2HD PRO 26 -10.777 -3.681 -2.088
229 HD3 PRO 26 3HD PRO 26 -10.214 -2.923 -3.609
230 H ASP 27 H ASP 27 -7.348 -7.460 -4.396
231 HA ASP 27 HA ASP 27 -8.371 -9.461 -2.413
232 HB2 ASP 27 2HB ASP 27 -8.896 -9.842 -4.850
233 HB3 ASP 27 3HB ASP 27 -7.162 -9.947 -5.154
234 H MET 28 H MET 28 -6.542 -11.308 -2.200
235 HA MET 28 HA MET 28 -4.433 -10.237 -0.696
236 HB2 MET 28 2HB MET 28 -3.420 -12.422 -0.737
237 HB3 MET 28 3HB MET 28 -5.166 -12.592 -0.581
238 HG2 MET 28 2HG MET 28 -5.399 -13.272 -2.880
239 HG3 MET 28 3HG MET 28 -3.755 -12.821 -3.276
240 HE1 MET 28 3HE MET 28 -1.715 -14.058 -3.080
241 HE2 MET 28 1HE MET 28 -1.749 -13.946 -1.310
242 HE3 MET 28 2HE MET 28 -1.453 -15.514 -2.089
243 H SER 29 H SER 29 -4.477 -10.585 -4.185
244 HA SER 29 HA SER 29 -1.573 -10.169 -4.450
245 HB2 SER 29 2HB SER 29 -2.781 -11.673 -5.985
246 HB3 SER 29 3HB SER 29 -3.738 -10.301 -6.579
247 HG SER 29 HG SER 29 -1.889 -10.781 -7.897
248 H THR 30 H THR 30 -4.606 -8.321 -5.154
249 HA THR 30 HA THR 30 -3.139 -5.987 -6.065
250 HB THR 30 HB THR 30 -5.584 -4.976 -5.797
251 HG1 THR 30 1HG THR 30 -6.391 -7.473 -6.559
252 HG21 THR 30 1HG2 THR 30 -6.061 -5.801 -8.099
253 HG22 THR 30 2HG2 THR 30 -4.726 -6.969 -7.943
254 HG23 THR 30 3HG2 THR 30 -4.396 -5.225 -7.926
255 H ARG 31 H ARG 31 -4.724 -6.834 -2.979
256 HA ARG 31 HA ARG 31 -4.318 -4.328 -1.665
257 HB2 ARG 31 2HB ARG 31 -4.313 -7.197 -0.623
258 HB3 ARG 31 3HB ARG 31 -4.230 -5.779 0.429
259 HG2 ARG 31 2HG ARG 31 -6.386 -4.957 -0.601
260 HG3 ARG 31 3HG ARG 31 -6.535 -6.515 -1.416
261 HD2 ARG 31 2HD ARG 31 -6.367 -6.075 1.576
262 HD3 ARG 31 3HD ARG 31 -7.854 -6.378 0.679
263 HE ARG 31 HE ARG 31 -5.664 -8.328 1.281
264 HH11 ARG 31 2HH1 ARG 31 -8.822 -8.020 -0.303
265 HH12 ARG 31 1HH1 ARG 31 -9.183 -9.684 0.055
266 HH21 ARG 31 2HH2 ARG 31 -6.090 -10.302 1.452
267 HH22 ARG 31 1HH2 ARG 31 -7.611 -11.024 0.909
268 H GLU 32 H GLU 32 -2.104 -7.138 -1.929
269 HA GLU 32 HA GLU 32 0.104 -5.898 -0.557
270 HB2 GLU 32 2HB GLU 32 -0.019 -8.057 -2.706
271 HB3 GLU 32 3HB GLU 32 1.499 -7.473 -2.009
272 HG2 GLU 32 2HG GLU 32 0.730 -8.087 0.245
273 HG3 GLU 32 3HG GLU 32 -0.770 -8.721 -0.427
274 H GLU 33 H GLU 33 -0.810 -5.928 -4.029
275 HA GLU 33 HA GLU 33 1.408 -4.536 -5.021
276 HB2 GLU 33 2HB GLU 33 -0.221 -5.687 -6.421
277 HB3 GLU 33 3HB GLU 33 -1.460 -4.485 -6.041
278 HG2 GLU 33 2HG GLU 33 -0.282 -2.749 -7.208
279 HG3 GLU 33 3HG GLU 33 1.158 -3.746 -7.370
280 H ILE 34 H ILE 34 -1.442 -3.036 -3.427
281 HA ILE 34 HA ILE 34 -0.296 -0.356 -3.938
282 HB ILE 34 HB ILE 34 -2.181 0.622 -3.198
283 HG12 ILE 34 2HG1 ILE 34 -4.032 -0.833 -1.942
284 HG13 ILE 34 3HG1 ILE 34 -2.622 -1.718 -1.376
285 HG21 ILE 34 1HG2 ILE 34 -4.016 -0.389 -4.331
286 HG22 ILE 34 2HG2 ILE 34 -2.558 -0.904 -5.201
287 HG23 ILE 34 3HG2 ILE 34 -3.385 -2.011 -4.078
288 HD11 ILE 34 3HD1 ILE 34 -1.712 0.446 -0.432
289 HD12 ILE 34 1HD1 ILE 34 -3.301 0.042 0.199
290 HD13 ILE 34 2HD1 ILE 34 -3.148 1.284 -1.060
291 H ALA 35 H ALA 35 -0.304 -2.716 -1.326
292 HA ALA 35 HA ALA 35 0.469 -0.929 0.783
293 HB1 ALA 35 1HB ALA 35 0.770 -3.946 0.491
294 HB2 ALA 35 2HB ALA 35 0.889 -3.031 1.998
295 HB3 ALA 35 3HB ALA 35 -0.652 -3.097 1.139
296 H VAL 36 H VAL 36 2.208 -2.720 -1.610
297 HA VAL 36 HA VAL 36 4.749 -3.040 -0.513
298 HB VAL 36 HB VAL 36 3.467 -3.063 -3.218
299 HG11 VAL 36 1HG1 VAL 36 5.502 -1.976 -3.915
300 HG12 VAL 36 2HG1 VAL 36 6.486 -3.183 -3.039
301 HG13 VAL 36 3HG1 VAL 36 5.478 -3.659 -4.429
302 HG21 VAL 36 3HG2 VAL 36 5.308 -5.073 -1.864
303 HG22 VAL 36 1HG2 VAL 36 3.558 -5.004 -1.595
304 HG23 VAL 36 2HG2 VAL 36 4.177 -5.352 -3.213
305 H TRP 37 H TRP 37 3.517 -0.138 -2.111
306 HA TRP 37 HA TRP 37 6.163 1.179 -1.685
307 HB2 TRP 37 2HB TRP 37 5.412 2.722 -3.529
308 HB3 TRP 37 3HB TRP 37 5.829 1.088 -3.982
309 HD1 TRP 37 1HD TRP 37 3.885 -0.574 -4.701
310 HE1 TRP 37 1HE TRP 37 1.506 -0.263 -5.464
311 HE3 TRP 37 3HE TRP 37 3.383 4.373 -3.562
312 HZ2 TRP 37 2HZ TRP 37 -0.420 1.939 -5.690
313 HZ3 TRP 37 3HZ TRP 37 1.265 5.577 -4.098
314 HH2 TRP 37 2HH TRP 37 -0.645 4.367 -5.123
315 H THR 38 H THR 38 3.407 0.940 -0.092
316 HA THR 38 HA THR 38 3.331 3.830 0.713
317 HB THR 38 HB THR 38 1.017 3.433 1.466
318 HG1 THR 38 1HG THR 38 0.859 1.169 -0.101
319 HG21 THR 38 1HG2 THR 38 1.537 2.724 -1.470
320 HG22 THR 38 2HG2 THR 38 1.430 4.359 -0.795
321 HG23 THR 38 3HG2 THR 38 -0.001 3.308 -0.793
322 H ASN 39 H ASN 39 4.774 1.156 1.738
323 HA ASN 39 HA ASN 39 5.494 0.306 3.692
324 HB2 ASN 39 2HB ASN 39 6.119 2.840 3.829
325 HB3 ASN 39 3HB ASN 39 4.897 2.911 5.090
326 HD21 ASN 39 1HD2 ASN 39 5.204 1.113 6.848
327 HD22 ASN 39 2HD2 ASN 39 6.880 0.868 7.361
328 H LEU 40 H LEU 40 2.929 -0.375 3.064
329 HA LEU 40 HA LEU 40 1.645 -0.865 5.732
330 HB2 LEU 40 2HB LEU 40 0.418 -0.648 2.955
331 HB3 LEU 40 3HB LEU 40 -0.467 -1.180 4.369
332 HG LEU 40 HG LEU 40 0.731 1.594 3.987
333 HD11 LEU 40 1HD1 LEU 40 -1.621 2.283 3.804
334 HD12 LEU 40 2HD1 LEU 40 -1.202 1.127 2.533
335 HD13 LEU 40 3HD1 LEU 40 -2.147 0.588 3.941
336 HD21 LEU 40 3HD2 LEU 40 -0.634 2.151 6.002
337 HD22 LEU 40 1HD2 LEU 40 -1.015 0.432 6.199
338 HD23 LEU 40 2HD2 LEU 40 0.660 1.006 6.369
339 H THR 41 H THR 41 0.157 -2.901 5.447
340 HA THR 41 HA THR 41 1.435 -5.049 3.837
341 HB THR 41 HB THR 41 2.208 -5.391 6.136
342 HG1 THR 41 1HG THR 41 1.568 -7.514 6.220
343 HG21 THR 41 1HG2 THR 41 0.367 -4.424 7.443
344 HG22 THR 41 2HG2 THR 41 0.622 -6.114 7.892
345 HG23 THR 41 3HG2 THR 41 -0.745 -5.680 6.848
346 H GLU 42 H GLU 42 -0.181 -6.870 3.435
347 HA GLU 42 HA GLU 42 -2.422 -5.640 2.207
348 HB2 GLU 42 2HB GLU 42 -2.932 -7.685 1.302
349 HB3 GLU 42 3HB GLU 42 -1.203 -7.739 1.567
350 HG2 GLU 42 2HG GLU 42 -1.827 -9.839 2.229
351 HG3 GLU 42 3HG GLU 42 -1.785 -9.009 3.780
352 H ALA 43 H ALA 43 -2.190 -7.133 5.360
353 HA ALA 43 HA ALA 43 -4.978 -7.302 5.962
354 HB1 ALA 43 1HB ALA 43 -3.220 -8.486 7.216
355 HB2 ALA 43 2HB ALA 43 -2.590 -6.937 7.826
356 HB3 ALA 43 3HB ALA 43 -4.214 -7.485 8.291
357 H ARG 44 H ARG 44 -2.675 -4.571 6.301
358 HA ARG 44 HA ARG 44 -4.493 -2.723 7.620
359 HB2 ARG 44 2HB ARG 44 -2.124 -2.259 5.736
360 HB3 ARG 44 3HB ARG 44 -3.021 -0.969 6.476
361 HG2 ARG 44 2HG ARG 44 -1.494 -3.072 8.063
362 HG3 ARG 44 3HG ARG 44 -0.924 -1.444 7.664
363 HD2 ARG 44 2HD ARG 44 -3.314 -0.780 8.734
364 HD3 ARG 44 3HD ARG 44 -3.074 -2.314 9.565
365 HE ARG 44 HE ARG 44 -1.212 -1.402 10.724
366 HH11 ARG 44 2HH1 ARG 44 -2.535 1.060 8.540
367 HH12 ARG 44 1HH1 ARG 44 -1.639 2.312 9.368
368 HH21 ARG 44 2HH2 ARG 44 -0.246 0.368 11.725
369 HH22 ARG 44 1HH2 ARG 44 -0.460 1.952 11.026
370 H VAL 45 H VAL 45 -3.781 -3.401 4.203
371 HA VAL 45 HA VAL 45 -5.638 -1.467 3.157
372 HB VAL 45 HB VAL 45 -4.761 -4.021 1.767
373 HG11 VAL 45 1HG1 VAL 45 -6.557 -2.773 0.612
374 HG12 VAL 45 2HG1 VAL 45 -5.595 -1.282 0.719
375 HG13 VAL 45 3HG1 VAL 45 -5.034 -2.639 -0.274
376 HG21 VAL 45 3HG2 VAL 45 -2.716 -2.959 2.497
377 HG22 VAL 45 1HG2 VAL 45 -2.934 -2.575 0.799
378 HG23 VAL 45 2HG2 VAL 45 -3.315 -1.355 2.034
379 H ARG 46 H ARG 46 -6.007 -4.982 3.845
380 HA ARG 46 HA ARG 46 -8.721 -5.277 3.078
381 HB2 ARG 46 2HB ARG 46 -6.983 -7.053 3.745
382 HB3 ARG 46 3HB ARG 46 -7.335 -6.644 5.426
383 HG2 ARG 46 2HG ARG 46 -9.810 -7.154 4.829
384 HG3 ARG 46 3HG ARG 46 -9.179 -7.873 3.342
385 HD2 ARG 46 2HD ARG 46 -8.448 -8.652 6.199
386 HD3 ARG 46 3HD ARG 46 -9.555 -9.529 5.146
387 HE ARG 46 HE ARG 46 -6.624 -9.185 4.511
388 HH11 ARG 46 2HH2 ARG 46 -9.337 -11.406 4.804
389 HH12 ARG 46 1HH2 ARG 46 -8.341 -12.773 4.388
390 HH21 ARG 46 2HH1 ARG 46 -5.460 -10.904 4.067
391 HH22 ARG 46 1HH1 ARG 46 -6.184 -12.504 3.968
392 H VAL 47 H VAL 47 -7.405 -4.381 6.288
393 HA VAL 47 HA VAL 47 -9.912 -3.942 7.601
394 HB VAL 47 HB VAL 47 -7.101 -2.900 8.106
395 HG11 VAL 47 1HG1 VAL 47 -7.880 -2.259 10.381
396 HG12 VAL 47 2HG1 VAL 47 -8.567 -1.233 9.126
397 HG13 VAL 47 3HG1 VAL 47 -9.563 -2.513 9.861
398 HG21 VAL 47 3HG2 VAL 47 -7.118 -4.511 9.922
399 HG22 VAL 47 1HG2 VAL 47 -8.835 -4.899 9.625
400 HG23 VAL 47 2HG2 VAL 47 -7.591 -5.353 8.446
401 H TRP 48 H TRP 48 -7.780 -1.613 5.853
402 HA TRP 48 HA TRP 48 -9.397 0.669 6.386
403 HB2 TRP 48 2HB TRP 48 -7.027 0.651 5.551
404 HB3 TRP 48 3HB TRP 48 -7.644 0.201 3.959
405 HD1 TRP 48 1HD TRP 48 -7.286 3.095 6.359
406 HE1 TRP 48 1HE TRP 48 -8.005 5.294 5.252
407 HE3 TRP 48 3HE TRP 48 -9.365 1.216 2.066
408 HZ2 TRP 48 2HZ TRP 48 -9.224 6.141 2.775
409 HZ3 TRP 48 3HZ TRP 48 -10.338 2.737 0.373
410 HH2 TRP 48 2HH TRP 48 -10.309 5.194 0.735
411 H PHE 49 H PHE 49 -9.411 -1.533 3.512
412 HA PHE 49 HA PHE 49 -11.597 -0.185 2.206
413 HB2 PHE 49 2HB PHE 49 -10.212 -2.847 1.905
414 HB3 PHE 49 3HB PHE 49 -11.752 -2.593 1.116
415 HD1 PHE 49 2HD PHE 49 -8.331 -0.982 1.387
416 HD2 PHE 49 1HD PHE 49 -11.923 -1.512 -0.950
417 HE1 PHE 49 2HE PHE 49 -7.269 0.193 -0.515
418 HE2 PHE 49 1HE PHE 49 -10.840 -0.375 -2.834
419 HZ PHE 49 HZ PHE 49 -8.539 0.520 -2.628
420 H LYS 50 H LYS 50 -11.531 -2.753 4.647
421 HA LYS 50 HA LYS 50 -14.362 -3.367 4.549
422 HB2 LYS 50 2HB LYS 50 -12.705 -4.871 5.499
423 HB3 LYS 50 3HB LYS 50 -12.321 -3.738 6.784
424 HG2 LYS 50 2HG LYS 50 -15.161 -4.731 6.418
425 HG3 LYS 50 3HG LYS 50 -13.972 -5.803 7.125
426 HD2 LYS 50 2HD LYS 50 -14.736 -3.075 8.254
427 HD3 LYS 50 3HD LYS 50 -15.381 -4.608 8.802
428 HE2 LYS 50 2HE LYS 50 -12.419 -3.903 8.854
429 HE3 LYS 50 3HE LYS 50 -13.525 -3.610 10.198
430 HZ1 LYS 50 3HZ LYS 50 -13.973 -6.004 10.286
431 HZ2 LYS 50 1HZ LYS 50 -12.384 -5.718 10.497
432 HZ3 LYS 50 2HZ LYS 50 -12.922 -6.295 9.069
433 H ASN 51 H ASN 51 -12.493 -1.034 6.514
434 HA ASN 51 HA ASN 51 -14.864 0.125 7.751
435 HB2 ASN 51 2HB ASN 51 -11.986 1.056 7.393
436 HB3 ASN 51 3HB ASN 51 -13.222 2.104 8.084
437 HD21 ASN 51 1HD2 ASN 51 -11.416 -0.912 8.604
438 HD22 ASN 51 2HD2 ASN 51 -11.779 -0.961 10.328
439 H ARG 52 H ARG 52 -13.044 0.963 4.764
440 HA ARG 52 HA ARG 52 -14.505 3.316 4.244
441 HB2 ARG 52 2HB ARG 52 -12.275 2.555 3.207
442 HB3 ARG 52 3HB ARG 52 -13.220 1.509 2.147
443 HG2 ARG 52 2HG ARG 52 -12.663 3.542 0.954
444 HG3 ARG 52 3HG ARG 52 -14.398 3.497 1.221
445 HD2 ARG 52 2HD ARG 52 -14.068 5.039 3.220
446 HD3 ARG 52 3HD ARG 52 -12.351 5.083 2.839
447 HE ARG 52 HE ARG 52 -12.790 6.605 1.163
448 HH11 ARG 52 2HH2 ARG 52 -15.903 5.090 1.889
449 HH12 ARG 52 1HH2 ARG 52 -16.756 6.326 0.966
450 HH21 ARG 52 2HH1 ARG 52 -14.024 8.128 0.100
451 HH22 ARG 52 1HH1 ARG 52 -15.769 8.023 0.174
452 H ARG 53 H ARG 53 -15.230 0.010 3.137
453 HA ARG 53 HA ARG 53 -17.545 0.839 1.592
454 HB2 ARG 53 2HB ARG 53 -18.024 -1.449 1.264
455 HB3 ARG 53 3HB ARG 53 -16.279 -1.235 1.166
456 HG2 ARG 53 2HG ARG 53 -16.160 -2.043 3.586
457 HG3 ARG 53 3HG ARG 53 -17.878 -2.456 3.457
458 HD2 ARG 53 2HD ARG 53 -17.320 -3.925 1.503
459 HD3 ARG 53 3HD ARG 53 -15.609 -3.519 1.733
460 HE ARG 53 HE ARG 53 -17.090 -4.684 4.034
461 HH11 ARG 53 2HH1 ARG 53 -14.792 -5.346 1.472
462 HH12 ARG 53 1HH1 ARG 53 -14.249 -6.822 2.220
463 HH21 ARG 53 2HH2 ARG 53 -16.382 -6.598 4.904
464 HH22 ARG 53 1HH2 ARG 53 -15.133 -7.505 4.109
465 H ALA 54 H ALA 54 -17.133 -0.066 4.995
466 HA ALA 54 HA ALA 54 -19.950 -0.049 5.627
467 HB1 ALA 54 1HB ALA 54 -19.172 0.082 7.948
468 HB2 ALA 54 2HB ALA 54 -18.203 -1.108 7.053
469 HB3 ALA 54 3HB ALA 54 -17.539 0.506 7.414
470 H LYS 55 H LYS 55 -17.490 2.523 5.468
471 HA LYS 55 HA LYS 55 -19.295 4.617 6.398
472 HB2 LYS 55 2HB LYS 55 -16.556 4.653 5.064
473 HB3 LYS 55 3HB LYS 55 -17.422 6.120 5.541
474 HG2 LYS 55 2HG LYS 55 -17.475 5.412 7.877
475 HG3 LYS 55 3HG LYS 55 -16.694 3.878 7.479
476 HD2 LYS 55 2HD LYS 55 -14.678 5.095 6.694
477 HD3 LYS 55 3HD LYS 55 -15.464 6.642 7.089
478 HE2 LYS 55 2HE LYS 55 -15.672 5.901 9.467
479 HE3 LYS 55 3HE LYS 55 -14.838 4.395 9.063
480 HZ1 LYS 55 3HZ LYS 55 -13.305 6.036 9.985
481 HZ2 LYS 55 1HZ LYS 55 -13.666 7.120 8.823
482 HZ3 LYS 55 2HZ LYS 55 -12.887 5.735 8.436
483 H TRP 56 H TRP 56 -18.289 3.491 3.168
484 HA TRP 56 HA TRP 56 -19.361 5.528 1.546
485 HB2 TRP 56 2HB TRP 56 -18.117 3.983 0.365
486 HB3 TRP 56 3HB TRP 56 -18.774 2.616 1.244
487 HD1 TRP 56 1HD TRP 56 -20.282 5.145 -1.251
488 HE1 TRP 56 1HE TRP 56 -21.902 3.861 -2.843
489 HE3 TRP 56 3HE TRP 56 -19.765 0.438 0.647
490 HZ2 TRP 56 2HZ TRP 56 -22.803 1.199 -3.222
491 HZ3 TRP 56 3HZ TRP 56 -21.005 -1.475 -0.354
492 HH2 TRP 56 2HH TRP 56 -22.529 -1.108 -2.282
493 H ARG 57 H ARG 57 -21.043 2.676 2.839
494 HA ARG 57 HA ARG 57 -23.505 3.030 1.518
495 HB2 ARG 57 2HB ARG 57 -22.643 1.698 4.110
496 HB3 ARG 57 3HB ARG 57 -24.337 1.612 3.566
497 HG2 ARG 57 2HG ARG 57 -23.631 0.526 1.467
498 HG3 ARG 57 3HG ARG 57 -21.935 0.730 1.922
499 HD2 ARG 57 2HD ARG 57 -22.507 -1.530 2.388
500 HD3 ARG 57 3HD ARG 57 -22.297 -0.679 3.931
501 HE ARG 57 HE ARG 57 -25.063 -0.618 3.142
502 HH11 ARG 57 2HH1 ARG 57 -22.753 -2.946 4.371
503 HH12 ARG 57 1HH1 ARG 57 -23.991 -3.919 5.114
504 HH21 ARG 57 2HH2 ARG 57 -26.592 -1.900 4.120
505 HH22 ARG 57 1HH2 ARG 57 -26.106 -3.338 4.967
506 H LYS 58 H LYS 58 -22.415 4.803 4.316
507 HA LYS 58 HA LYS 58 -25.092 5.902 4.971
508 HB2 LYS 58 2HB LYS 58 -22.278 6.571 5.934
509 HB3 LYS 58 3HB LYS 58 -23.692 7.510 6.378
510 HG2 LYS 58 2HG LYS 58 -23.204 6.028 8.161
511 HG3 LYS 58 3HG LYS 58 -24.740 5.543 7.436
512 HD2 LYS 58 2HD LYS 58 -23.728 3.626 6.377
513 HD3 LYS 58 3HD LYS 58 -22.091 4.233 6.734
514 HE2 LYS 58 2HE LYS 58 -22.488 3.946 9.141
515 HE3 LYS 58 3HE LYS 58 -24.138 3.382 8.831
516 HZ1 LYS 58 3HZ LYS 58 -21.724 2.038 7.742
517 HZ2 LYS 58 1HZ LYS 58 -23.254 1.463 7.709
518 HZ3 LYS 58 2HZ LYS 58 -22.463 1.564 9.135
519 H ARG 59 H ARG 59 -22.412 6.759 2.921
520 HA ARG 59 HA ARG 59 -23.342 9.545 2.451
521 HB2 ARG 59 2HB ARG 59 -20.948 7.971 1.440
522 HB3 ARG 59 3HB ARG 59 -21.245 9.697 1.164
523 HG2 ARG 59 2HG ARG 59 -20.953 10.178 3.540
524 HG3 ARG 59 3HG ARG 59 -20.738 8.445 3.900
525 HD2 ARG 59 2HD ARG 59 -18.795 8.337 2.408
526 HD3 ARG 59 3HD ARG 59 -19.019 10.040 1.954
527 HE ARG 59 HE ARG 59 -18.684 9.801 4.797
528 HH11 ARG 59 1HH1 ARG 59 -16.803 9.668 1.806
529 HH12 ARG 59 2HH1 ARG 59 -15.350 10.191 2.621
530 HH21 ARG 59 2HH2 ARG 59 -16.769 10.451 5.738
531 HH22 ARG 59 1HH2 ARG 59 -15.328 10.598 4.778
532 H GLU 60 H GLU 60 -23.191 6.469 0.783
533 HA GLU 60 HA GLU 60 -23.731 5.707 -1.253
534 HB2 GLU 60 2HB GLU 60 -25.841 7.885 -1.237
535 HB3 GLU 60 3HB GLU 60 -25.762 6.523 -2.364
536 HG2 GLU 60 2HG GLU 60 -25.897 4.927 -0.471
537 HG3 GLU 60 3HG GLU 60 -26.041 6.273 0.663
538 H GLU 61 H GLU 61 -21.478 7.115 -1.224
539 HA GLU 61 HA GLU 61 -21.080 9.127 -3.201
540 HB2 GLU 61 2HB GLU 61 -19.221 6.914 -2.241
541 HB3 GLU 61 3HB GLU 61 -18.695 8.326 -3.152
542 HG2 GLU 61 2HG GLU 61 -19.161 9.828 -1.387
543 HG3 GLU 61 3HG GLU 61 -20.172 8.673 -0.542
544 H PHE 62 H PHE 62 -21.404 5.687 -3.540
545 HA PHE 62 HA PHE 62 -21.312 5.782 -6.502
546 HB2 PHE 62 2HB PHE 62 -19.126 4.988 -5.672
547 HB3 PHE 62 3HB PHE 62 -19.913 3.781 -4.673
548 HD1 PHE 62 1HD PHE 62 -19.370 4.825 -8.230
549 HD2 PHE 62 2HD PHE 62 -20.493 1.639 -5.547
550 HE1 PHE 62 1HE PHE 62 -19.290 3.205 -10.116
551 HE2 PHE 62 2HE PHE 62 -20.409 0.023 -7.434
552 HZ PHE 62 HZ PHE 62 -19.810 0.805 -9.718
553 H ILE 63 H ILE 63 -22.616 4.114 -7.479
554 HA ILE 63 HA ILE 63 -24.625 2.803 -5.689
555 HB ILE 63 HB ILE 63 -25.145 4.157 -8.353
556 HG12 ILE 63 2HG1 ILE 63 -24.901 5.838 -6.585
557 HG13 ILE 63 3HG1 ILE 63 -26.538 5.747 -7.194
558 HG21 ILE 63 1HG2 ILE 63 -27.023 2.608 -6.522
559 HG22 ILE 63 2HG2 ILE 63 -27.555 3.646 -7.862
560 HG23 ILE 63 3HG2 ILE 63 -26.574 2.220 -8.195
561 HD11 ILE 63 3HD1 ILE 63 -27.276 4.536 -5.175
562 HD12 ILE 63 1HD1 ILE 63 -26.489 6.064 -4.760
563 HD13 ILE 63 2HD1 ILE 63 -25.612 4.541 -4.548
564 H VAL 64 H VAL 64 -24.842 0.704 -5.979
565 HA VAL 64 HA VAL 64 -23.464 -0.698 -8.198
566 HB VAL 64 HB VAL 64 -24.960 -1.820 -5.801
567 HG11 VAL 64 1HG1 VAL 64 -23.127 -3.168 -7.838
568 HG12 VAL 64 2HG1 VAL 64 -23.766 -3.927 -6.365
569 HG13 VAL 64 3HG1 VAL 64 -24.875 -3.446 -7.648
570 HG21 VAL 64 3HG2 VAL 64 -22.917 -0.607 -5.091
571 HG22 VAL 64 1HG2 VAL 64 -22.708 -2.350 -4.912
572 HG23 VAL 64 2HG2 VAL 64 -21.961 -1.508 -6.287
573 H THR 65 H THR 65 -24.501 -1.321 -9.992
574 HA THR 65 HA THR 65 -27.479 -1.133 -10.099
575 HB THR 65 HB THR 65 -27.129 -0.605 -12.498
576 HG1 THR 65 1HG THR 65 -25.029 -0.130 -13.168
577 HG21 THR 65 1HG2 THR 65 -25.520 1.208 -10.647
578 HG22 THR 65 2HG2 THR 65 -27.292 1.207 -10.784
579 HG23 THR 65 3HG2 THR 65 -26.298 1.660 -12.180
580 H ASP 66 H ASP 66 -25.011 -3.451 -10.383
581 HA ASP 66 HA ASP 66 -26.899 -5.492 -11.402
582 HB2 ASP 66 2HB ASP 66 -25.759 -4.643 -13.414
583 HB3 ASP 66 3HB ASP 66 -24.190 -4.947 -12.677
Start of MODEL 7
1 H1 GLY -1 1H GLY -1 0.685 5.915 30.325
2 H2 GLY -1 2H GLY -1 -0.294 6.214 31.603
3 H3 GLY -1 3H GLY -1 0.349 7.460 30.755
4 HA2 GLY -1 2HA GLY -1 -1.974 7.182 30.181
5 HA3 GLY -1 3HA GLY -1 -0.909 6.883 28.794
6 H SER 0 H SER 0 -3.655 5.866 29.374
7 HA SER 0 HA SER 0 -3.627 3.178 30.228
8 HB2 SER 0 2HB SER 0 -5.603 4.454 28.307
9 HB3 SER 0 3HB SER 0 -5.871 3.047 29.354
10 HG SER 0 HG SER 0 -6.719 4.949 30.296
11 H GLN 1 H GLN 1 -3.231 1.251 29.279
12 HA GLN 1 HA GLN 1 -1.723 1.141 26.896
13 HB2 GLN 1 2HB GLN 1 -1.508 -0.372 28.830
14 HB3 GLN 1 3HB GLN 1 -3.084 -1.076 28.477
15 HG2 GLN 1 2HG GLN 1 -1.280 -2.552 27.772
16 HG3 GLN 1 3HG GLN 1 -2.221 -2.043 26.383
17 HE21 GLN 1 2HE2 GLN 1 -1.230 -0.448 24.886
18 HE22 GLN 1 1HE2 GLN 1 0.530 -0.294 24.856
19 H ARG 2 H ARG 2 -5.179 0.873 27.263
20 HA ARG 2 HA ARG 2 -5.715 -0.456 24.739
21 HB2 ARG 2 2HB ARG 2 -8.041 -0.027 25.212
22 HB3 ARG 2 3HB ARG 2 -7.228 -0.613 26.660
23 HG2 ARG 2 2HG ARG 2 -7.123 1.709 27.553
24 HG3 ARG 2 3HG ARG 2 -7.915 2.312 26.085
25 HD2 ARG 2 2HD ARG 2 -9.903 0.945 26.570
26 HD3 ARG 2 3HD ARG 2 -9.136 0.284 28.011
27 HE ARG 2 HE ARG 2 -10.264 2.992 27.634
28 HH11 ARG 2 2HH1 ARG 2 -8.432 0.953 29.828
29 HH12 ARG 2 1HH1 ARG 2 -8.704 2.020 31.178
30 HH21 ARG 2 2HH2 ARG 2 -10.581 4.284 29.402
31 HH22 ARG 2 1HH2 ARG 2 -9.896 3.847 30.939
32 H ARG 3 H ARG 3 -4.646 2.690 25.222
33 HA ARG 3 HA ARG 3 -6.196 4.116 23.227
34 HB2 ARG 3 2HB ARG 3 -3.451 4.641 24.445
35 HB3 ARG 3 3HB ARG 3 -4.265 5.751 23.338
36 HG2 ARG 3 2HG ARG 3 -6.144 6.024 24.886
37 HG3 ARG 3 3HG ARG 3 -5.451 4.832 25.997
38 HD2 ARG 3 2HD ARG 3 -3.456 6.274 26.302
39 HD3 ARG 3 3HD ARG 3 -4.179 7.483 25.218
40 HE ARG 3 HE ARG 3 -6.035 6.892 27.305
41 HH11 ARG 3 2HH2 ARG 3 -3.035 8.645 26.875
42 HH12 ARG 3 1HH2 ARG 3 -3.352 9.698 28.227
43 HH21 ARG 3 2HH1 ARG 3 -6.361 8.245 29.037
44 HH22 ARG 3 1HH1 ARG 3 -5.186 9.467 29.418
45 H GLN 4 H GLN 4 -5.627 4.771 21.164
46 HA GLN 4 HA GLN 4 -3.429 3.344 19.731
47 HB2 GLN 4 2HB GLN 4 -6.341 3.525 18.854
48 HB3 GLN 4 3HB GLN 4 -5.019 2.992 17.819
49 HG2 GLN 4 2HG GLN 4 -5.836 1.568 20.397
50 HG3 GLN 4 3HG GLN 4 -6.433 1.162 18.800
51 HE21 GLN 4 2HE2 GLN 4 -3.465 1.167 20.828
52 HE22 GLN 4 1HE2 GLN 4 -2.630 0.002 19.798
53 H ARG 5 H ARG 5 -2.143 4.992 19.232
54 HA ARG 5 HA ARG 5 -3.135 7.682 18.710
55 HB2 ARG 5 2HB ARG 5 -1.097 6.971 20.099
56 HB3 ARG 5 3HB ARG 5 -0.247 6.765 18.565
57 HG2 ARG 5 2HG ARG 5 -0.709 9.188 18.044
58 HG3 ARG 5 3HG ARG 5 -1.572 9.330 19.586
59 HD2 ARG 5 2HD ARG 5 0.499 8.731 20.799
60 HD3 ARG 5 3HD ARG 5 1.361 8.572 19.254
61 HE ARG 5 HE ARG 5 0.186 11.159 19.348
62 HH11 ARG 5 2HH1 ARG 5 2.774 9.452 20.982
63 HH12 ARG 5 1HH1 ARG 5 3.652 10.919 21.320
64 HH21 ARG 5 2HH2 ARG 5 1.358 12.991 19.811
65 HH22 ARG 5 1HH2 ARG 5 2.865 12.867 20.671
66 H THR 6 H THR 6 -4.230 6.267 16.821
67 HA THR 6 HA THR 6 -4.739 6.072 14.653
68 HB THR 6 HB THR 6 -2.794 8.320 14.090
69 HG1 THR 6 1HG THR 6 -4.579 9.625 14.477
70 HG21 THR 6 1HG2 THR 6 -3.660 7.317 12.026
71 HG22 THR 6 2HG2 THR 6 -4.428 8.878 12.296
72 HG23 THR 6 3HG2 THR 6 -5.325 7.386 12.656
73 H HIS 7 H HIS 7 -4.366 4.783 12.948
74 HA HIS 7 HA HIS 7 -1.765 3.364 12.899
75 HB2 HIS 7 2HB HIS 7 -4.582 2.757 12.015
76 HB3 HIS 7 3HB HIS 7 -3.250 1.889 11.280
77 HD2 HIS 7 2HD HIS 7 -4.935 2.343 14.730
78 HE1 HIS 7 1HE HIS 7 -2.289 -0.989 15.046
79 HE2 HIS 7 2HE HIS 7 -4.082 0.349 16.247
80 H PHE 8 H PHE 8 -3.502 5.545 10.746
81 HA PHE 8 HA PHE 8 -1.540 4.956 8.557
82 HB2 PHE 8 2HB PHE 8 -4.388 5.955 8.353
83 HB3 PHE 8 3HB PHE 8 -3.264 5.744 7.016
84 HD1 PHE 8 2HD PHE 8 -5.327 3.951 9.539
85 HD2 PHE 8 1HD PHE 8 -2.804 3.567 6.063
86 HE1 PHE 8 2HE PHE 8 -6.086 1.604 9.247
87 HE2 PHE 8 1HE PHE 8 -3.601 1.236 5.749
88 HZ PHE 8 HZ PHE 8 -5.236 0.250 7.347
89 H THR 9 H THR 9 -0.933 6.700 7.166
90 HA THR 9 HA THR 9 -0.689 9.305 8.602
91 HB THR 9 HB THR 9 1.156 9.855 7.332
92 HG1 THR 9 1HG THR 9 1.806 8.648 5.517
93 HG21 THR 9 1HG2 THR 9 1.652 7.998 8.933
94 HG22 THR 9 2HG2 THR 9 2.754 8.053 7.542
95 HG23 THR 9 3HG2 THR 9 1.458 6.841 7.599
96 H SER 10 H SER 10 -1.033 11.300 7.483
97 HA SER 10 HA SER 10 -3.326 11.449 5.844
98 HB2 SER 10 2HB SER 10 -1.157 13.544 6.005
99 HB3 SER 10 3HB SER 10 -2.889 13.757 5.655
100 HG SER 10 HG SER 10 -2.375 14.287 7.835
101 H GLN 11 H GLN 11 -0.258 10.402 4.820
102 HA GLN 11 HA GLN 11 -0.742 11.166 1.981
103 HB2 GLN 11 2HB GLN 11 1.484 11.608 3.026
104 HB3 GLN 11 3HB GLN 11 1.697 9.865 3.246
105 HG2 GLN 11 2HG GLN 11 1.527 9.540 0.783
106 HG3 GLN 11 3HG GLN 11 1.262 11.276 0.573
107 HE21 GLN 11 2HE2 GLN 11 3.101 12.761 1.153
108 HE22 GLN 11 1HE2 GLN 11 4.733 12.108 1.092
109 H GLN 12 H GLN 12 -0.356 8.262 4.107
110 HA GLN 12 HA GLN 12 -0.575 6.265 2.062
111 HB2 GLN 12 2HB GLN 12 -1.372 6.269 5.002
112 HB3 GLN 12 3HB GLN 12 -1.416 4.827 3.970
113 HG2 GLN 12 2HG GLN 12 0.950 4.942 3.546
114 HG3 GLN 12 3HG GLN 12 1.111 6.437 4.461
115 HE21 GLN 12 2HE2 GLN 12 2.299 3.696 4.861
116 HE22 GLN 12 1HE2 GLN 12 1.914 3.302 6.532
117 H LEU 13 H LEU 13 -3.028 7.850 4.074
118 HA LEU 13 HA LEU 13 -5.376 6.560 3.210
119 HB2 LEU 13 2HB LEU 13 -4.861 9.447 4.019
120 HB3 LEU 13 3HB LEU 13 -6.464 8.729 3.896
121 HG LEU 13 HG LEU 13 -4.298 7.594 5.733
122 HD11 LEU 13 1HD1 LEU 13 -5.328 8.785 7.568
123 HD12 LEU 13 2HD1 LEU 13 -4.766 9.930 6.346
124 HD13 LEU 13 3HD1 LEU 13 -6.500 9.553 6.459
125 HD21 LEU 13 3HD2 LEU 13 -6.015 6.005 5.278
126 HD22 LEU 13 1HD2 LEU 13 -6.219 6.610 6.921
127 HD23 LEU 13 2HD2 LEU 13 -7.295 7.209 5.636
128 H GLN 14 H GLN 14 -3.534 9.045 1.510
129 HA GLN 14 HA GLN 14 -5.617 9.753 -0.385
130 HB2 GLN 14 2HB GLN 14 -2.625 10.043 -0.806
131 HB3 GLN 14 3HB GLN 14 -3.918 10.928 -1.604
132 HG2 GLN 14 2HG GLN 14 -3.069 11.107 1.295
133 HG3 GLN 14 3HG GLN 14 -2.805 12.328 0.061
134 HE21 GLN 14 2HE2 GLN 14 -4.221 12.446 2.684
135 HE22 GLN 14 1HE2 GLN 14 -5.840 13.058 2.298
136 H GLU 15 H GLU 15 -2.897 7.432 -0.428
137 HA GLU 15 HA GLU 15 -3.396 6.575 -3.169
138 HB2 GLU 15 2HB GLU 15 -1.826 5.145 -0.997
139 HB3 GLU 15 3HB GLU 15 -1.729 4.876 -2.735
140 HG2 GLU 15 2HG GLU 15 -0.798 7.300 -1.157
141 HG3 GLU 15 3HG GLU 15 0.194 6.157 -2.040
142 H LEU 16 H LEU 16 -4.509 5.512 0.009
143 HA LEU 16 HA LEU 16 -5.787 3.076 -0.865
144 HB2 LEU 16 2HB LEU 16 -6.132 4.921 1.524
145 HB3 LEU 16 3HB LEU 16 -7.055 3.441 1.326
146 HG LEU 16 HG LEU 16 -4.021 3.341 1.210
147 HD11 LEU 16 1HD1 LEU 16 -3.985 2.857 3.608
148 HD12 LEU 16 2HD1 LEU 16 -4.564 4.499 3.292
149 HD13 LEU 16 3HD1 LEU 16 -5.719 3.217 3.718
150 HD21 LEU 16 3HD2 LEU 16 -6.165 1.346 2.056
151 HD22 LEU 16 1HD2 LEU 16 -5.267 1.340 0.520
152 HD23 LEU 16 2HD2 LEU 16 -4.411 1.052 2.045
153 H GLU 17 H GLU 17 -7.157 6.394 -0.252
154 HA GLU 17 HA GLU 17 -9.687 5.630 -1.395
155 HB2 GLU 17 2HB GLU 17 -10.409 7.827 -1.166
156 HB3 GLU 17 3HB GLU 17 -9.388 7.491 0.227
157 HG2 GLU 17 2HG GLU 17 -7.547 8.777 -0.820
158 HG3 GLU 17 3HG GLU 17 -8.535 9.064 -2.246
159 H ALA 18 H ALA 18 -6.760 6.777 -2.980
160 HA ALA 18 HA ALA 18 -8.062 7.304 -5.523
161 HB1 ALA 18 1HB ALA 18 -5.143 6.761 -4.841
162 HB2 ALA 18 2HB ALA 18 -5.757 7.371 -6.392
163 HB3 ALA 18 3HB ALA 18 -5.934 8.355 -4.928
164 H THR 19 H THR 19 -6.192 4.439 -4.265
165 HA THR 19 HA THR 19 -6.654 2.962 -6.694
166 HB THR 19 HB THR 19 -4.793 2.603 -5.017
167 HG1 THR 19 1HG THR 19 -6.246 0.333 -5.884
168 HG21 THR 19 1HG2 THR 19 -5.054 1.184 -3.190
169 HG22 THR 19 2HG2 THR 19 -6.589 0.507 -3.794
170 HG23 THR 19 3HG2 THR 19 -6.518 2.138 -3.075
171 H PHE 20 H PHE 20 -8.578 3.358 -3.799
172 HA PHE 20 HA PHE 20 -10.506 1.309 -4.155
173 HB2 PHE 20 2HB PHE 20 -10.345 2.624 -2.143
174 HB3 PHE 20 3HB PHE 20 -10.649 4.110 -3.018
175 HD1 PHE 20 1HD PHE 20 -12.424 0.765 -2.749
176 HD2 PHE 20 2HD PHE 20 -12.689 5.055 -2.441
177 HE1 PHE 20 1HE PHE 20 -14.826 0.573 -2.177
178 HE2 PHE 20 2HE PHE 20 -15.102 4.860 -1.891
179 HZ PHE 20 HZ PHE 20 -16.172 2.621 -1.747
180 H GLN 21 H GLN 21 -9.995 4.250 -6.067
181 HA GLN 21 HA GLN 21 -12.640 4.214 -7.263
182 HB2 GLN 21 2HB GLN 21 -10.099 5.487 -8.335
183 HB3 GLN 21 3HB GLN 21 -11.751 5.854 -8.830
184 HG2 GLN 21 2HG GLN 21 -10.351 6.542 -6.243
185 HG3 GLN 21 3HG GLN 21 -11.029 7.641 -7.427
186 HE21 GLN 21 2HE2 GLN 21 -11.523 6.622 -4.386
187 HE22 GLN 21 1HE2 GLN 21 -13.291 6.683 -4.326
188 H ARG 22 H ARG 22 -9.485 2.833 -8.203
189 HA ARG 22 HA ARG 22 -10.598 1.763 -10.737
190 HB2 ARG 22 2HB ARG 22 -8.408 0.894 -11.197
191 HB3 ARG 22 3HB ARG 22 -8.294 2.599 -10.767
192 HG2 ARG 22 2HG ARG 22 -7.403 2.071 -8.588
193 HG3 ARG 22 3HG ARG 22 -7.748 0.347 -8.783
194 HD2 ARG 22 2HD ARG 22 -6.119 0.244 -10.653
195 HD3 ARG 22 3HD ARG 22 -5.689 1.938 -10.343
196 HE ARG 22 HE ARG 22 -5.265 1.044 -7.907
197 HH11 ARG 22 2HH2 ARG 22 -4.318 -0.893 -10.741
198 HH12 ARG 22 1HH2 ARG 22 -3.247 -1.836 -9.693
199 HH21 ARG 22 2HH1 ARG 22 -3.936 -0.247 -6.835
200 HH22 ARG 22 1HH1 ARG 22 -3.020 -1.493 -7.723
201 H ASN 23 H ASN 23 -10.009 0.626 -7.495
202 HA ASN 23 HA ASN 23 -11.101 -2.064 -8.211
203 HB2 ASN 23 2HB ASN 23 -8.563 -1.982 -8.102
204 HB3 ASN 23 3HB ASN 23 -8.695 -1.528 -6.403
205 HD21 ASN 23 1HD2 ASN 23 -7.349 -3.828 -7.222
206 HD22 ASN 23 2HD2 ASN 23 -8.268 -5.239 -6.723
207 H HIS 24 H HIS 24 -13.041 -2.034 -7.205
208 HA HIS 24 HA HIS 24 -13.401 -0.671 -4.615
209 HB2 HIS 24 2HB HIS 24 -15.275 -2.069 -6.548
210 HB3 HIS 24 3HB HIS 24 -15.791 -1.493 -4.971
211 HD2 HIS 24 2HD HIS 24 -13.760 0.292 -7.856
212 HE1 HIS 24 1HE HIS 24 -16.902 2.879 -6.608
213 HE2 HIS 24 2HE HIS 24 -14.923 2.610 -8.195
214 H TYR 25 H TYR 25 -12.335 -3.768 -5.447
215 HA TYR 25 HA TYR 25 -12.861 -4.845 -2.763
216 HB2 TYR 25 2HB TYR 25 -13.895 -6.947 -3.753
217 HB3 TYR 25 3HB TYR 25 -14.890 -5.522 -3.632
218 HD1 TYR 25 1HD TYR 25 -15.713 -4.320 -5.580
219 HD2 TYR 25 2HD TYR 25 -13.271 -7.849 -6.009
220 HE1 TYR 25 1HE TYR 25 -16.330 -4.452 -7.985
221 HE2 TYR 25 2HE TYR 25 -13.899 -7.987 -8.414
222 HH TYR 25 HH TYR 25 -16.088 -5.601 -9.956
223 HA PRO 26 HA PRO 26 -8.862 -5.965 -4.865
224 HB2 PRO 26 2HB PRO 26 -7.053 -5.097 -3.024
225 HB3 PRO 26 3HB PRO 26 -7.823 -4.017 -4.209
226 HG2 PRO 26 2HG PRO 26 -8.707 -4.522 -1.350
227 HG3 PRO 26 3HG PRO 26 -8.400 -2.946 -2.148
228 HD2 PRO 26 2HD PRO 26 -10.909 -3.970 -1.971
229 HD3 PRO 26 3HD PRO 26 -10.373 -3.140 -3.466
230 H ASP 27 H ASP 27 -7.349 -7.531 -4.432
231 HA ASP 27 HA ASP 27 -8.316 -9.663 -2.563
232 HB2 ASP 27 2HB ASP 27 -8.799 -9.932 -5.016
233 HB3 ASP 27 3HB ASP 27 -7.056 -9.958 -5.304
234 H MET 28 H MET 28 -6.439 -11.457 -2.406
235 HA MET 28 HA MET 28 -4.378 -10.384 -0.818
236 HB2 MET 28 2HB MET 28 -3.315 -12.544 -0.917
237 HB3 MET 28 3HB MET 28 -5.058 -12.760 -0.787
238 HG2 MET 28 2HG MET 28 -5.249 -13.377 -3.104
239 HG3 MET 28 3HG MET 28 -3.617 -12.865 -3.473
240 HE1 MET 28 3HE MET 28 -1.595 -13.992 -1.525
241 HE2 MET 28 1HE MET 28 -1.247 -15.529 -2.344
242 HE3 MET 28 2HE MET 28 -1.541 -14.055 -3.298
243 H SER 29 H SER 29 -4.396 -10.598 -4.302
244 HA SER 29 HA SER 29 -1.500 -10.126 -4.554
245 HB2 SER 29 2HB SER 29 -2.682 -11.611 -6.129
246 HB3 SER 29 3HB SER 29 -3.661 -10.240 -6.688
247 HG SER 29 HG SER 29 -1.803 -10.652 -8.015
248 H THR 30 H THR 30 -4.577 -8.324 -5.174
249 HA THR 30 HA THR 30 -3.156 -5.931 -6.025
250 HB THR 30 HB THR 30 -5.622 -4.987 -5.769
251 HG1 THR 30 1HG THR 30 -6.337 -7.510 -6.580
252 HG21 THR 30 1HG2 THR 30 -6.045 -5.780 -8.103
253 HG22 THR 30 2HG2 THR 30 -4.673 -6.901 -7.947
254 HG23 THR 30 3HG2 THR 30 -4.405 -5.147 -7.885
255 H ARG 31 H ARG 31 -4.755 -6.891 -2.975
256 HA ARG 31 HA ARG 31 -4.387 -4.408 -1.606
257 HB2 ARG 31 2HB ARG 31 -4.316 -7.298 -0.626
258 HB3 ARG 31 3HB ARG 31 -4.285 -5.896 0.460
259 HG2 ARG 31 2HG ARG 31 -6.456 -5.124 -0.560
260 HG3 ARG 31 3HG ARG 31 -6.544 -6.660 -1.424
261 HD2 ARG 31 2HD ARG 31 -6.507 -6.270 1.578
262 HD3 ARG 31 3HD ARG 31 -7.913 -6.686 0.607
263 HE ARG 31 HE ARG 31 -5.616 -8.445 1.351
264 HH11 ARG 31 2HH1 ARG 31 -8.685 -8.392 -0.425
265 HH12 ARG 31 1HH1 ARG 31 -8.893 -10.099 -0.146
266 HH21 ARG 31 2HH2 ARG 31 -5.875 -10.440 1.504
267 HH22 ARG 31 1HH2 ARG 31 -7.273 -11.301 0.846
268 H GLU 32 H GLU 32 -2.138 -7.181 -1.938
269 HA GLU 32 HA GLU 32 0.070 -5.937 -0.580
270 HB2 GLU 32 2HB GLU 32 -0.055 -8.068 -2.754
271 HB3 GLU 32 3HB GLU 32 1.466 -7.475 -2.071
272 HG2 GLU 32 2HG GLU 32 0.737 -8.126 0.186
273 HG3 GLU 32 3HG GLU 32 -0.770 -8.763 -0.471
274 H GLU 33 H GLU 33 -0.872 -5.886 -4.046
275 HA GLU 33 HA GLU 33 1.321 -4.521 -5.082
276 HB2 GLU 33 2HB GLU 33 -0.500 -5.481 -6.462
277 HB3 GLU 33 3HB GLU 33 -1.601 -4.221 -5.902
278 HG2 GLU 33 2HG GLU 33 -0.157 -2.490 -6.976
279 HG3 GLU 33 3HG GLU 33 0.858 -3.782 -7.614
280 H ILE 34 H ILE 34 -1.492 -2.978 -3.453
281 HA ILE 34 HA ILE 34 -0.317 -0.321 -3.899
282 HB ILE 34 HB ILE 34 -2.214 0.645 -3.158
283 HG12 ILE 34 2HG1 ILE 34 -4.031 -0.788 -1.849
284 HG13 ILE 34 3HG1 ILE 34 -2.621 -1.689 -1.307
285 HG21 ILE 34 1HG2 ILE 34 -2.585 -0.956 -5.115
286 HG22 ILE 34 2HG2 ILE 34 -3.406 -2.023 -3.946
287 HG23 ILE 34 3HG2 ILE 34 -4.039 -0.423 -4.252
288 HD11 ILE 34 3HD1 ILE 34 -3.110 1.319 -0.994
289 HD12 ILE 34 1HD1 ILE 34 -1.675 0.471 -0.382
290 HD13 ILE 34 2HD1 ILE 34 -3.260 0.087 0.271
291 H ALA 35 H ALA 35 -0.319 -2.696 -1.311
292 HA ALA 35 HA ALA 35 0.491 -0.941 0.812
293 HB1 ALA 35 1HB ALA 35 0.910 -3.066 1.992
294 HB2 ALA 35 2HB ALA 35 -0.642 -3.106 1.152
295 HB3 ALA 35 3HB ALA 35 0.762 -3.958 0.474
296 H VAL 36 H VAL 36 2.191 -2.704 -1.642
297 HA VAL 36 HA VAL 36 4.737 -3.033 -0.550
298 HB VAL 36 HB VAL 36 3.426 -3.072 -3.240
299 HG11 VAL 36 1HG1 VAL 36 5.406 -3.676 -4.481
300 HG12 VAL 36 2HG1 VAL 36 5.457 -1.993 -3.966
301 HG13 VAL 36 3HG1 VAL 36 6.446 -3.210 -3.109
302 HG21 VAL 36 3HG2 VAL 36 3.529 -5.000 -1.605
303 HG22 VAL 36 1HG2 VAL 36 4.119 -5.362 -3.231
304 HG23 VAL 36 2HG2 VAL 36 5.275 -5.083 -1.901
305 H TRP 37 H TRP 37 3.494 -0.119 -2.104
306 HA TRP 37 HA TRP 37 6.149 1.187 -1.690
307 HB2 TRP 37 2HB TRP 37 5.395 2.743 -3.521
308 HB3 TRP 37 3HB TRP 37 5.809 1.113 -3.989
309 HD1 TRP 37 1HD TRP 37 3.861 -0.542 -4.704
310 HE1 TRP 37 1HE TRP 37 1.482 -0.222 -5.471
311 HE3 TRP 37 3HE TRP 37 3.373 4.402 -3.556
312 HZ2 TRP 37 2HZ TRP 37 -0.430 1.992 -5.710
313 HZ3 TRP 37 3HZ TRP 37 1.263 5.619 -4.101
314 HH2 TRP 37 2HH TRP 37 -0.645 4.421 -5.141
315 H THR 38 H THR 38 3.395 0.943 -0.094
316 HA THR 38 HA THR 38 3.328 3.832 0.722
317 HB THR 38 HB THR 38 1.016 3.443 1.482
318 HG1 THR 38 1HG THR 38 0.860 1.174 -0.087
319 HG21 THR 38 1HG2 THR 38 -0.008 3.324 -0.775
320 HG22 THR 38 2HG2 THR 38 1.534 2.754 -1.457
321 HG23 THR 38 3HG2 THR 38 1.419 4.382 -0.766
322 H ASN 39 H ASN 39 4.759 1.149 1.740
323 HA ASN 39 HA ASN 39 5.495 0.304 3.689
324 HB2 ASN 39 2HB ASN 39 6.126 2.833 3.825
325 HB3 ASN 39 3HB ASN 39 4.902 2.909 5.087
326 HD21 ASN 39 1HD2 ASN 39 5.205 1.119 6.850
327 HD22 ASN 39 2HD2 ASN 39 6.880 0.869 7.364
328 H LEU 40 H LEU 40 2.944 -0.394 3.072
329 HA LEU 40 HA LEU 40 1.665 -0.884 5.743
330 HB2 LEU 40 2HB LEU 40 0.423 -0.660 2.972
331 HB3 LEU 40 3HB LEU 40 -0.455 -1.188 4.393
332 HG LEU 40 HG LEU 40 0.749 1.582 4.000
333 HD11 LEU 40 1HD1 LEU 40 -1.193 1.123 2.561
334 HD12 LEU 40 2HD1 LEU 40 -2.131 0.581 3.973
335 HD13 LEU 40 3HD1 LEU 40 -1.604 2.279 3.836
336 HD21 LEU 40 3HD2 LEU 40 -0.976 0.416 6.226
337 HD22 LEU 40 1HD2 LEU 40 0.696 1.002 6.381
338 HD23 LEU 40 2HD2 LEU 40 -0.607 2.139 6.025
339 H THR 41 H THR 41 0.172 -2.919 5.456
340 HA THR 41 HA THR 41 1.447 -5.059 3.832
341 HB THR 41 HB THR 41 2.213 -5.414 6.135
342 HG1 THR 41 1HG THR 41 1.571 -7.539 6.198
343 HG21 THR 41 1HG2 THR 41 -0.746 -5.714 6.827
344 HG22 THR 41 2HG2 THR 41 0.363 -4.460 7.437
345 HG23 THR 41 3HG2 THR 41 0.618 -6.153 7.876
346 H GLU 42 H GLU 42 -0.163 -6.869 3.411
347 HA GLU 42 HA GLU 42 -2.398 -5.637 2.176
348 HB2 GLU 42 2HB GLU 42 -2.940 -7.728 1.309
349 HB3 GLU 42 3HB GLU 42 -1.201 -7.684 1.478
350 HG2 GLU 42 2HG GLU 42 -1.655 -9.809 2.181
351 HG3 GLU 42 3HG GLU 42 -1.565 -8.963 3.721
352 H ALA 43 H ALA 43 -2.194 -7.143 5.330
353 HA ALA 43 HA ALA 43 -4.990 -7.319 5.893
354 HB1 ALA 43 1HB ALA 43 -4.254 -7.498 8.234
355 HB2 ALA 43 2HB ALA 43 -3.246 -8.501 7.173
356 HB3 ALA 43 3HB ALA 43 -2.626 -6.951 7.787
357 H ARG 44 H ARG 44 -2.687 -4.593 6.284
358 HA ARG 44 HA ARG 44 -4.498 -2.752 7.615
359 HB2 ARG 44 2HB ARG 44 -2.115 -2.287 5.749
360 HB3 ARG 44 3HB ARG 44 -3.001 -0.994 6.504
361 HG2 ARG 44 2HG ARG 44 -1.516 -3.151 8.061
362 HG3 ARG 44 3HG ARG 44 -0.907 -1.533 7.679
363 HD2 ARG 44 2HD ARG 44 -3.270 -0.814 8.769
364 HD3 ARG 44 3HD ARG 44 -3.081 -2.371 9.571
365 HE ARG 44 HE ARG 44 -1.271 -1.511 10.809
366 HH11 ARG 44 2HH2 ARG 44 -2.248 0.918 8.437
367 HH12 ARG 44 1HH2 ARG 44 -1.288 2.142 9.234
368 HH21 ARG 44 2HH1 ARG 44 -0.135 0.194 11.735
369 HH22 ARG 44 1HH1 ARG 44 -0.177 1.762 10.960
370 H VAL 45 H VAL 45 -3.779 -3.393 4.200
371 HA VAL 45 HA VAL 45 -5.604 -1.437 3.138
372 HB VAL 45 HB VAL 45 -4.755 -4.021 1.777
373 HG11 VAL 45 1HG1 VAL 45 -5.576 -1.297 0.685
374 HG12 VAL 45 2HG1 VAL 45 -5.023 -2.676 -0.283
375 HG13 VAL 45 3HG1 VAL 45 -6.545 -2.785 0.605
376 HG21 VAL 45 3HG2 VAL 45 -2.708 -2.968 2.493
377 HG22 VAL 45 1HG2 VAL 45 -2.922 -2.584 0.794
378 HG23 VAL 45 2HG2 VAL 45 -3.298 -1.361 2.027
379 H ARG 46 H ARG 46 -6.011 -4.946 3.819
380 HA ARG 46 HA ARG 46 -8.731 -5.140 3.032
381 HB2 ARG 46 2HB ARG 46 -6.914 -6.939 3.735
382 HB3 ARG 46 3HB ARG 46 -7.602 -6.752 5.348
383 HG2 ARG 46 2HG ARG 46 -9.835 -7.381 4.449
384 HG3 ARG 46 3HG ARG 46 -9.156 -7.431 2.808
385 HD2 ARG 46 2HD ARG 46 -7.520 -9.194 3.638
386 HD3 ARG 46 3HD ARG 46 -8.460 -9.250 5.143
387 HE ARG 46 HE ARG 46 -10.184 -9.541 2.859
388 HH11 ARG 46 2HH2 ARG 46 -7.809 -11.431 4.606
389 HH12 ARG 46 1HH2 ARG 46 -8.554 -12.946 4.175
390 HH21 ARG 46 2HH1 ARG 46 -11.118 -11.516 2.384
391 HH22 ARG 46 1HH1 ARG 46 -10.367 -12.984 2.932
392 H VAL 47 H VAL 47 -7.404 -4.316 6.242
393 HA VAL 47 HA VAL 47 -9.918 -3.909 7.573
394 HB VAL 47 HB VAL 47 -7.113 -2.860 8.088
395 HG11 VAL 47 1HG1 VAL 47 -9.578 -2.507 9.846
396 HG12 VAL 47 2HG1 VAL 47 -7.899 -2.236 10.364
397 HG13 VAL 47 3HG1 VAL 47 -8.600 -1.210 9.116
398 HG21 VAL 47 3HG2 VAL 47 -8.834 -4.883 9.592
399 HG22 VAL 47 1HG2 VAL 47 -7.580 -5.319 8.419
400 HG23 VAL 47 2HG2 VAL 47 -7.126 -4.479 9.902
401 H TRP 48 H TRP 48 -7.807 -1.547 5.820
402 HA TRP 48 HA TRP 48 -9.476 0.710 6.343
403 HB2 TRP 48 2HB TRP 48 -7.102 0.718 5.503
404 HB3 TRP 48 3HB TRP 48 -7.717 0.261 3.916
405 HD1 TRP 48 1HD TRP 48 -7.343 3.158 6.290
406 HE1 TRP 48 1HE TRP 48 -8.059 5.355 5.180
407 HE3 TRP 48 3HE TRP 48 -9.519 1.275 2.044
408 HZ2 TRP 48 2HZ TRP 48 -9.305 6.199 2.717
409 HZ3 TRP 48 3HZ TRP 48 -10.505 2.796 0.360
410 HH2 TRP 48 2HH TRP 48 -10.433 5.255 0.700
411 H PHE 49 H PHE 49 -9.407 -1.482 3.487
412 HA PHE 49 HA PHE 49 -11.609 -0.245 2.132
413 HB2 PHE 49 2HB PHE 49 -10.124 -2.864 1.904
414 HB3 PHE 49 3HB PHE 49 -11.635 -2.667 1.054
415 HD1 PHE 49 2HD PHE 49 -8.324 -0.859 1.487
416 HD2 PHE 49 1HD PHE 49 -11.704 -1.686 -1.065
417 HE1 PHE 49 2HE PHE 49 -7.238 0.376 -0.362
418 HE2 PHE 49 1HE PHE 49 -10.598 -0.472 -2.887
419 HZ PHE 49 HZ PHE 49 -8.406 0.610 -2.541
420 H LYS 50 H LYS 50 -11.570 -2.704 4.680
421 HA LYS 50 HA LYS 50 -14.422 -3.333 4.551
422 HB2 LYS 50 2HB LYS 50 -12.629 -4.717 5.639
423 HB3 LYS 50 3HB LYS 50 -12.573 -3.521 6.948
424 HG2 LYS 50 2HG LYS 50 -15.120 -3.935 7.199
425 HG3 LYS 50 3HG LYS 50 -14.901 -5.296 6.095
426 HD2 LYS 50 2HD LYS 50 -13.636 -4.879 8.827
427 HD3 LYS 50 3HD LYS 50 -14.872 -6.070 8.385
428 HE2 LYS 50 2HE LYS 50 -13.211 -7.133 6.817
429 HE3 LYS 50 3HE LYS 50 -11.990 -5.983 7.385
430 HZ1 LYS 50 3HZ LYS 50 -12.266 -6.917 9.632
431 HZ2 LYS 50 1HZ LYS 50 -11.844 -8.098 8.586
432 HZ3 LYS 50 2HZ LYS 50 -13.387 -7.979 9.097
433 H ASN 51 H ASN 51 -12.498 -1.026 6.494
434 HA ASN 51 HA ASN 51 -14.783 0.185 7.797
435 HB2 ASN 51 2HB ASN 51 -11.898 1.030 7.360
436 HB3 ASN 51 3HB ASN 51 -13.076 2.150 8.039
437 HD21 ASN 51 1HD2 ASN 51 -11.436 -0.954 8.600
438 HD22 ASN 51 2HD2 ASN 51 -11.786 -0.958 10.328
439 H ARG 52 H ARG 52 -13.177 0.928 4.681
440 HA ARG 52 HA ARG 52 -14.559 3.335 4.239
441 HB2 ARG 52 2HB ARG 52 -12.497 2.456 3.006
442 HB3 ARG 52 3HB ARG 52 -13.588 1.371 2.131
443 HG2 ARG 52 2HG ARG 52 -13.019 3.321 0.760
444 HG3 ARG 52 3HG ARG 52 -14.743 3.218 1.078
445 HD2 ARG 52 2HD ARG 52 -14.351 4.933 2.987
446 HD3 ARG 52 3HD ARG 52 -12.721 5.105 2.351
447 HE ARG 52 HE ARG 52 -13.569 6.357 0.593
448 HH11 ARG 52 2HH2 ARG 52 -16.353 4.704 2.032
449 HH12 ARG 52 1HH2 ARG 52 -17.465 5.758 1.205
450 HH21 ARG 52 2HH1 ARG 52 -15.089 7.600 -0.424
451 HH22 ARG 52 1HH1 ARG 52 -16.779 7.307 -0.165
452 H ARG 53 H ARG 53 -15.563 0.075 3.257
453 HA ARG 53 HA ARG 53 -18.012 1.057 1.997
454 HB2 ARG 53 2HB ARG 53 -18.635 -1.233 1.678
455 HB3 ARG 53 3HB ARG 53 -16.966 -0.950 1.217
456 HG2 ARG 53 2HG ARG 53 -16.361 -1.902 3.575
457 HG3 ARG 53 3HG ARG 53 -18.044 -2.444 3.650
458 HD2 ARG 53 2HD ARG 53 -16.674 -4.265 2.821
459 HD3 ARG 53 3HD ARG 53 -17.663 -3.653 1.484
460 HE ARG 53 HE ARG 53 -14.857 -2.693 1.943
461 HH11 ARG 53 2HH1 ARG 53 -17.009 -4.215 -0.401
462 HH12 ARG 53 1HH1 ARG 53 -15.991 -3.694 -1.725
463 HH21 ARG 53 2HH2 ARG 53 -13.742 -2.049 0.232
464 HH22 ARG 53 1HH2 ARG 53 -14.204 -2.568 -1.385
465 H ALA 54 H ALA 54 -17.191 -0.047 5.255
466 HA ALA 54 HA ALA 54 -19.886 0.054 6.284
467 HB1 ALA 54 1HB ALA 54 -17.991 -0.995 7.485
468 HB2 ALA 54 2HB ALA 54 -17.254 0.606 7.723
469 HB3 ALA 54 3HB ALA 54 -18.814 0.227 8.474
470 H LYS 55 H LYS 55 -17.370 2.588 5.891
471 HA LYS 55 HA LYS 55 -18.958 4.741 6.984
472 HB2 LYS 55 2HB LYS 55 -16.460 4.645 5.264
473 HB3 LYS 55 3HB LYS 55 -17.235 6.168 5.728
474 HG2 LYS 55 2HG LYS 55 -16.989 5.677 8.096
475 HG3 LYS 55 3HG LYS 55 -16.397 4.054 7.759
476 HD2 LYS 55 2HD LYS 55 -14.536 5.431 8.356
477 HD3 LYS 55 3HD LYS 55 -14.396 5.008 6.642
478 HE2 LYS 55 2HE LYS 55 -15.271 7.238 6.006
479 HE3 LYS 55 3HE LYS 55 -15.522 7.641 7.710
480 HZ1 LYS 55 3HZ LYS 55 -12.874 7.104 6.466
481 HZ2 LYS 55 1HZ LYS 55 -13.114 7.482 8.040
482 HZ3 LYS 55 2HZ LYS 55 -13.444 8.578 6.878
483 H TRP 56 H TRP 56 -18.586 3.502 3.628
484 HA TRP 56 HA TRP 56 -20.330 5.439 2.402
485 HB2 TRP 56 2HB TRP 56 -19.259 4.108 0.841
486 HB3 TRP 56 3HB TRP 56 -19.451 2.652 1.799
487 HD1 TRP 56 1HD TRP 56 -21.967 5.024 0.035
488 HE1 TRP 56 1HE TRP 56 -23.808 3.570 -1.098
489 HE3 TRP 56 3HE TRP 56 -20.277 0.386 1.316
490 HZ2 TRP 56 2HZ TRP 56 -24.431 0.808 -1.390
491 HZ3 TRP 56 3HZ TRP 56 -21.523 -1.652 0.629
492 HH2 TRP 56 2HH TRP 56 -23.601 -1.457 -0.718
493 H ARG 57 H ARG 57 -21.145 2.270 3.917
494 HA ARG 57 HA ARG 57 -23.932 2.418 3.509
495 HB2 ARG 57 2HB ARG 57 -22.174 0.987 5.521
496 HB3 ARG 57 3HB ARG 57 -23.935 0.790 5.560
497 HG2 ARG 57 2HG ARG 57 -23.952 -0.044 3.263
498 HG3 ARG 57 3HG ARG 57 -22.210 0.233 3.120
499 HD2 ARG 57 2HD ARG 57 -21.764 -1.359 4.931
500 HD3 ARG 57 3HD ARG 57 -23.491 -1.664 5.133
501 HE ARG 57 HE ARG 57 -21.710 -2.738 3.087
502 HH11 ARG 57 2HH1 ARG 57 -25.102 -2.113 3.726
503 HH12 ARG 57 1HH1 ARG 57 -25.628 -3.305 2.570
504 HH21 ARG 57 2HH2 ARG 57 -22.459 -4.253 1.645
505 HH22 ARG 57 1HH2 ARG 57 -24.169 -4.475 1.430
506 H LYS 58 H LYS 58 -22.129 4.109 6.012
507 HA LYS 58 HA LYS 58 -24.443 4.872 7.616
508 HB2 LYS 58 2HB LYS 58 -21.622 5.942 7.318
509 HB3 LYS 58 3HB LYS 58 -22.844 6.957 8.055
510 HG2 LYS 58 2HG LYS 58 -21.814 5.926 9.848
511 HG3 LYS 58 3HG LYS 58 -23.371 5.107 9.686
512 HD2 LYS 58 2HD LYS 58 -22.217 3.234 8.493
513 HD3 LYS 58 3HD LYS 58 -20.667 4.062 8.727
514 HE2 LYS 58 2HE LYS 58 -22.517 3.057 10.933
515 HE3 LYS 58 3HE LYS 58 -21.082 2.219 10.334
516 HZ1 LYS 58 3HZ LYS 58 -19.736 4.110 11.091
517 HZ2 LYS 58 1HZ LYS 58 -20.562 3.457 12.335
518 HZ3 LYS 58 2HZ LYS 58 -21.063 4.865 11.686
519 H ARG 59 H ARG 59 -23.316 5.992 4.517
520 HA ARG 59 HA ARG 59 -25.174 8.356 4.594
521 HB2 ARG 59 2HB ARG 59 -22.705 7.928 2.868
522 HB3 ARG 59 3HB ARG 59 -23.676 9.395 2.987
523 HG2 ARG 59 2HG ARG 59 -21.900 8.210 5.162
524 HG3 ARG 59 3HG ARG 59 -21.588 9.651 4.197
525 HD2 ARG 59 2HD ARG 59 -23.555 10.773 5.205
526 HD3 ARG 59 3HD ARG 59 -23.883 9.321 6.168
527 HE ARG 59 HE ARG 59 -21.193 10.474 6.482
528 HH11 ARG 59 2HH1 ARG 59 -24.428 10.410 7.834
529 HH12 ARG 59 1HH1 ARG 59 -23.887 10.995 9.384
530 HH21 ARG 59 2HH2 ARG 59 -20.576 11.213 8.482
531 HH22 ARG 59 1HH2 ARG 59 -21.763 11.437 9.732
532 H GLU 60 H GLU 60 -24.429 5.462 2.815
533 HA GLU 60 HA GLU 60 -25.368 4.410 1.059
534 HB2 GLU 60 2HB GLU 60 -27.917 5.833 1.883
535 HB3 GLU 60 3HB GLU 60 -27.788 4.384 0.876
536 HG2 GLU 60 2HG GLU 60 -26.689 3.190 2.783
537 HG3 GLU 60 3HG GLU 60 -26.971 4.609 3.799
538 H GLU 61 H GLU 61 -23.930 6.654 0.311
539 HA GLU 61 HA GLU 61 -25.302 8.324 -1.592
540 HB2 GLU 61 2HB GLU 61 -22.347 7.640 -1.307
541 HB3 GLU 61 3HB GLU 61 -22.995 8.872 -2.396
542 HG2 GLU 61 2HG GLU 61 -24.011 10.047 -0.435
543 HG3 GLU 61 3HG GLU 61 -23.264 8.861 0.637
544 H PHE 62 H PHE 62 -23.348 5.389 -2.064
545 HA PHE 62 HA PHE 62 -24.335 5.070 -4.856
546 HB2 PHE 62 2HB PHE 62 -21.942 4.773 -4.522
547 HB3 PHE 62 3HB PHE 62 -22.218 3.596 -3.247
548 HD1 PHE 62 2HD PHE 62 -22.809 4.211 -6.904
549 HD2 PHE 62 1HD PHE 62 -22.422 1.281 -3.758
550 HE1 PHE 62 2HE PHE 62 -22.846 2.386 -8.592
551 HE2 PHE 62 1HE PHE 62 -22.444 -0.534 -5.452
552 HZ PHE 62 HZ PHE 62 -22.667 0.014 -7.868
553 H ILE 63 H ILE 63 -25.416 3.111 -5.469
554 HA ILE 63 HA ILE 63 -26.707 1.527 -3.299
555 HB ILE 63 HB ILE 63 -28.104 2.775 -5.687
556 HG12 ILE 63 2HG1 ILE 63 -27.805 4.396 -3.853
557 HG13 ILE 63 3HG1 ILE 63 -29.482 4.002 -4.151
558 HG21 ILE 63 1HG2 ILE 63 -29.161 0.788 -3.636
559 HG22 ILE 63 2HG2 ILE 63 -30.186 1.739 -4.732
560 HG23 ILE 63 3HG2 ILE 63 -29.040 0.576 -5.394
561 HD11 ILE 63 3HD1 ILE 63 -27.843 2.861 -1.842
562 HD12 ILE 63 1HD1 ILE 63 -29.574 2.589 -2.141
563 HD13 ILE 63 2HD1 ILE 63 -28.985 4.210 -1.744
564 H VAL 64 H VAL 64 -26.635 -0.584 -3.636
565 HA VAL 64 HA VAL 64 -25.328 -1.678 -6.032
566 HB VAL 64 HB VAL 64 -26.399 -3.071 -3.551
567 HG11 VAL 64 1HG1 VAL 64 -24.896 -4.933 -4.246
568 HG12 VAL 64 2HG1 VAL 64 -26.200 -4.670 -5.400
569 HG13 VAL 64 3HG1 VAL 64 -24.560 -4.082 -5.767
570 HG21 VAL 64 3HG2 VAL 64 -23.543 -2.280 -4.287
571 HG22 VAL 64 1HG2 VAL 64 -24.527 -1.508 -3.028
572 HG23 VAL 64 2HG2 VAL 64 -24.036 -3.194 -2.848
573 H THR 65 H THR 65 -26.323 -2.621 -7.723
574 HA THR 65 HA THR 65 -29.289 -2.921 -7.668
575 HB THR 65 HB THR 65 -29.108 -2.687 -10.139
576 HG1 THR 65 1HG THR 65 -27.136 -1.986 -10.973
577 HG21 THR 65 1HG2 THR 65 -27.770 -0.410 -8.612
578 HG22 THR 65 2HG2 THR 65 -29.521 -0.709 -8.676
579 HG23 THR 65 3HG2 THR 65 -28.641 -0.296 -10.158
580 H ASP 66 H ASP 66 -26.466 -4.858 -7.926
581 HA ASP 66 HA ASP 66 -28.074 -7.286 -8.453
582 HB2 ASP 66 2HB ASP 66 -27.345 -6.551 -10.686
583 HB3 ASP 66 3HB ASP 66 -25.672 -6.488 -10.144
Start of MODEL 8
1 H1 GLY -1 1H GLY -1 -3.404 -7.964 18.187
2 H2 GLY -1 2H GLY -1 -4.244 -9.230 18.799
3 H3 GLY -1 3H GLY -1 -2.709 -8.949 19.299
4 HA2 GLY -1 2HA GLY -1 -4.271 -8.246 20.991
5 HA3 GLY -1 3HA GLY -1 -3.337 -6.884 20.344
6 H SER 0 H SER 0 -6.046 -6.977 21.611
7 HA SER 0 HA SER 0 -8.114 -6.690 19.724
8 HB2 SER 0 2HB SER 0 -7.921 -5.404 22.471
9 HB3 SER 0 3HB SER 0 -9.403 -5.697 21.537
10 HG SER 0 HG SER 0 -9.027 -7.352 23.085
11 H GLN 1 H GLN 1 -9.020 -5.061 18.613
12 HA GLN 1 HA GLN 1 -7.309 -2.888 17.867
13 HB2 GLN 1 2HB GLN 1 -10.136 -3.568 16.945
14 HB3 GLN 1 3HB GLN 1 -9.031 -2.440 16.176
15 HG2 GLN 1 2HG GLN 1 -8.796 -4.308 14.857
16 HG3 GLN 1 3HG GLN 1 -7.384 -4.391 15.898
17 HE21 GLN 1 2HE2 GLN 1 -7.714 -6.708 14.794
18 HE22 GLN 1 1HE2 GLN 1 -8.616 -7.842 15.792
19 H ARG 2 H ARG 2 -9.051 -2.830 20.548
20 HA ARG 2 HA ARG 2 -10.632 -0.429 20.345
21 HB2 ARG 2 2HB ARG 2 -11.148 -0.795 22.673
22 HB3 ARG 2 3HB ARG 2 -11.244 -2.304 21.775
23 HG2 ARG 2 2HG ARG 2 -9.007 -2.980 22.665
24 HG3 ARG 2 3HG ARG 2 -8.920 -1.462 23.577
25 HD2 ARG 2 2HD ARG 2 -10.994 -2.083 24.791
26 HD3 ARG 2 3HD ARG 2 -11.053 -3.613 23.892
27 HE ARG 2 HE ARG 2 -8.501 -3.359 25.170
28 HH11 ARG 2 2HH2 ARG 2 -11.830 -3.962 26.085
29 HH12 ARG 2 1HH2 ARG 2 -11.373 -4.838 27.520
30 HH21 ARG 2 2HH1 ARG 2 -7.989 -4.493 27.016
31 HH22 ARG 2 1HH1 ARG 2 -9.254 -5.125 28.027
32 H ARG 3 H ARG 3 -7.889 0.092 19.657
33 HA ARG 3 HA ARG 3 -6.848 1.927 21.764
34 HB2 ARG 3 2HB ARG 3 -5.724 0.766 19.196
35 HB3 ARG 3 3HB ARG 3 -5.085 2.281 19.815
36 HG2 ARG 3 2HG ARG 3 -3.682 0.558 20.627
37 HG3 ARG 3 3HG ARG 3 -4.573 1.235 21.988
38 HD2 ARG 3 2HD ARG 3 -6.113 -0.752 21.913
39 HD3 ARG 3 3HD ARG 3 -5.130 -1.417 20.589
40 HE ARG 3 HE ARG 3 -3.517 -0.712 22.889
41 HH11 ARG 3 2HH2 ARG 3 -5.551 -3.349 21.729
42 HH12 ARG 3 1HH2 ARG 3 -4.876 -4.452 22.903
43 HH21 ARG 3 2HH1 ARG 3 -2.686 -2.204 24.273
44 HH22 ARG 3 1HH1 ARG 3 -3.278 -3.837 24.259
45 H GLN 4 H GLN 4 -6.419 4.094 21.386
46 HA GLN 4 HA GLN 4 -8.619 5.416 19.927
47 HB2 GLN 4 2HB GLN 4 -6.716 6.277 22.138
48 HB3 GLN 4 3HB GLN 4 -7.820 7.393 21.345
49 HG2 GLN 4 2HG GLN 4 -8.805 6.623 23.422
50 HG3 GLN 4 3HG GLN 4 -9.765 6.106 22.042
51 HE21 GLN 4 2HE2 GLN 4 -10.569 4.036 22.357
52 HE22 GLN 4 1HE2 GLN 4 -9.620 2.716 23.033
53 H ARG 5 H ARG 5 -5.251 4.987 19.369
54 HA ARG 5 HA ARG 5 -4.950 7.503 17.812
55 HB2 ARG 5 2HB ARG 5 -2.944 5.334 18.548
56 HB3 ARG 5 3HB ARG 5 -2.584 6.769 17.578
57 HG2 ARG 5 2HG ARG 5 -3.255 8.232 19.482
58 HG3 ARG 5 3HG ARG 5 -3.589 6.798 20.460
59 HD2 ARG 5 2HD ARG 5 -1.412 7.625 21.080
60 HD3 ARG 5 3HD ARG 5 -1.220 6.090 20.245
61 HE ARG 5 HE ARG 5 -0.102 7.145 18.504
62 HH11 ARG 5 2HH1 ARG 5 -1.474 9.682 20.502
63 HH12 ARG 5 1HH1 ARG 5 -0.583 10.931 19.676
64 HH21 ARG 5 2HH2 ARG 5 0.990 8.788 17.498
65 HH22 ARG 5 1HH2 ARG 5 0.774 10.431 18.025
66 H THR 6 H THR 6 -4.585 7.640 15.669
67 HA THR 6 HA THR 6 -5.560 5.464 13.963
68 HB THR 6 HB THR 6 -4.528 8.221 13.204
69 HG1 THR 6 1HG THR 6 -6.706 8.761 13.194
70 HG21 THR 6 1HG2 THR 6 -6.238 6.196 11.682
71 HG22 THR 6 2HG2 THR 6 -4.611 6.771 11.239
72 HG23 THR 6 3HG2 THR 6 -5.975 7.883 11.185
73 H HIS 7 H HIS 7 -4.361 4.099 12.729
74 HA HIS 7 HA HIS 7 -1.458 3.999 12.971
75 HB2 HIS 7 2HB HIS 7 -2.738 1.954 12.833
76 HB3 HIS 7 3HB HIS 7 -3.461 2.442 11.296
77 HD2 HIS 7 2HD HIS 7 -2.101 2.040 9.088
78 HE1 HIS 7 1HE HIS 7 1.514 0.543 10.785
79 HE2 HIS 7 2HE HIS 7 0.254 0.957 8.611
80 H PHE 8 H PHE 8 -3.666 4.828 10.290
81 HA PHE 8 HA PHE 8 -1.567 5.002 8.370
82 HB2 PHE 8 2HB PHE 8 -4.400 6.050 8.172
83 HB3 PHE 8 3HB PHE 8 -3.285 5.761 6.837
84 HD1 PHE 8 1HD PHE 8 -2.740 3.478 6.091
85 HD2 PHE 8 2HD PHE 8 -5.587 4.188 9.255
86 HE1 PHE 8 1HE PHE 8 -3.570 1.147 5.879
87 HE2 PHE 8 2HE PHE 8 -6.378 1.842 9.069
88 HZ PHE 8 HZ PHE 8 -5.367 0.318 7.388
89 H THR 9 H THR 9 -0.948 6.759 7.047
90 HA THR 9 HA THR 9 -0.875 9.421 8.394
91 HB THR 9 HB THR 9 1.011 9.975 7.154
92 HG1 THR 9 1HG THR 9 1.766 8.644 5.448
93 HG21 THR 9 1HG2 THR 9 2.651 8.245 7.536
94 HG22 THR 9 2HG2 THR 9 1.395 6.989 7.591
95 HG23 THR 9 3HG2 THR 9 1.489 8.212 8.879
96 H SER 10 H SER 10 -1.241 11.367 7.156
97 HA SER 10 HA SER 10 -3.419 11.344 5.324
98 HB2 SER 10 2HB SER 10 -1.347 13.530 5.592
99 HB3 SER 10 3HB SER 10 -3.042 13.666 5.068
100 HG SER 10 HG SER 10 -2.759 14.309 7.261
101 H GLN 11 H GLN 11 -0.241 10.368 4.625
102 HA GLN 11 HA GLN 11 -0.509 10.997 1.729
103 HB2 GLN 11 2HB GLN 11 1.679 11.307 2.948
104 HB3 GLN 11 3HB GLN 11 1.747 9.550 3.161
105 HG2 GLN 11 2HG GLN 11 1.662 9.269 0.679
106 HG3 GLN 11 3HG GLN 11 1.579 11.027 0.496
107 HE21 GLN 11 2HE2 GLN 11 3.521 12.312 1.217
108 HE22 GLN 11 1HE2 GLN 11 5.082 11.503 1.219
109 H GLN 12 H GLN 12 -0.414 8.188 4.000
110 HA GLN 12 HA GLN 12 -0.697 6.140 1.992
111 HB2 GLN 12 2HB GLN 12 -1.423 6.224 4.948
112 HB3 GLN 12 3HB GLN 12 -1.477 4.760 3.950
113 HG2 GLN 12 2HG GLN 12 0.879 4.871 3.487
114 HG3 GLN 12 3HG GLN 12 1.052 6.396 4.350
115 HE21 GLN 12 2HE2 GLN 12 2.254 3.670 4.808
116 HE22 GLN 12 1HE2 GLN 12 1.919 3.326 6.496
117 H LEU 13 H LEU 13 -3.068 7.867 4.013
118 HA LEU 13 HA LEU 13 -5.441 6.537 3.240
119 HB2 LEU 13 2HB LEU 13 -4.915 9.427 4.041
120 HB3 LEU 13 3HB LEU 13 -6.522 8.706 3.950
121 HG LEU 13 HG LEU 13 -4.334 7.568 5.750
122 HD11 LEU 13 1HD1 LEU 13 -6.495 9.567 6.490
123 HD12 LEU 13 2HD1 LEU 13 -5.345 8.772 7.600
124 HD13 LEU 13 3HD1 LEU 13 -4.749 9.903 6.381
125 HD21 LEU 13 3HD2 LEU 13 -6.290 6.635 6.967
126 HD22 LEU 13 1HD2 LEU 13 -7.333 7.209 5.650
127 HD23 LEU 13 2HD2 LEU 13 -6.049 5.993 5.340
128 H GLN 14 H GLN 14 -3.652 9.036 1.513
129 HA GLN 14 HA GLN 14 -5.800 9.585 -0.400
130 HB2 GLN 14 2HB GLN 14 -2.845 10.322 -0.414
131 HB3 GLN 14 3HB GLN 14 -4.018 10.846 -1.623
132 HG2 GLN 14 2HG GLN 14 -4.142 11.468 1.347
133 HG3 GLN 14 3HG GLN 14 -3.657 12.593 0.080
134 HE21 GLN 14 2HE2 GLN 14 -6.301 11.410 1.914
135 HE22 GLN 14 1HE2 GLN 14 -7.611 11.841 0.813
136 H GLU 15 H GLU 15 -2.893 7.486 -0.400
137 HA GLU 15 HA GLU 15 -3.338 6.609 -3.152
138 HB2 GLU 15 2HB GLU 15 -1.803 5.193 -0.951
139 HB3 GLU 15 3HB GLU 15 -1.703 4.889 -2.683
140 HG2 GLU 15 2HG GLU 15 -0.759 7.333 -1.156
141 HG3 GLU 15 3HG GLU 15 0.224 6.166 -2.004
142 H LEU 16 H LEU 16 -4.429 5.474 0.018
143 HA LEU 16 HA LEU 16 -5.745 3.085 -0.894
144 HB2 LEU 16 2HB LEU 16 -6.079 4.907 1.513
145 HB3 LEU 16 3HB LEU 16 -7.018 3.439 1.299
146 HG LEU 16 HG LEU 16 -3.986 3.310 1.184
147 HD11 LEU 16 1HD1 LEU 16 -3.946 2.812 3.570
148 HD12 LEU 16 2HD1 LEU 16 -4.549 4.451 3.280
149 HD13 LEU 16 3HD1 LEU 16 -5.684 3.147 3.688
150 HD21 LEU 16 3HD2 LEU 16 -5.251 1.334 0.459
151 HD22 LEU 16 1HD2 LEU 16 -4.393 1.015 1.976
152 HD23 LEU 16 2HD2 LEU 16 -6.145 1.321 1.996
153 H GLU 17 H GLU 17 -7.135 6.394 -0.210
154 HA GLU 17 HA GLU 17 -9.625 5.529 -1.372
155 HB2 GLU 17 2HB GLU 17 -10.572 7.474 -0.829
156 HB3 GLU 17 3HB GLU 17 -9.370 7.234 0.440
157 HG2 GLU 17 2HG GLU 17 -7.912 8.918 -0.674
158 HG3 GLU 17 3HG GLU 17 -9.166 9.177 -1.890
159 H ALA 18 H ALA 18 -6.836 6.836 -2.923
160 HA ALA 18 HA ALA 18 -8.249 7.478 -5.406
161 HB1 ALA 18 1HB ALA 18 -5.291 7.002 -4.856
162 HB2 ALA 18 2HB ALA 18 -5.986 7.644 -6.359
163 HB3 ALA 18 3HB ALA 18 -6.129 8.574 -4.857
164 H THR 19 H THR 19 -6.252 4.634 -4.300
165 HA THR 19 HA THR 19 -6.730 3.220 -6.761
166 HB THR 19 HB THR 19 -4.831 2.889 -5.105
167 HG1 THR 19 1HG THR 19 -4.569 0.876 -5.946
168 HG21 THR 19 1HG2 THR 19 -6.452 2.257 -3.160
169 HG22 THR 19 2HG2 THR 19 -5.006 1.297 -3.388
170 HG23 THR 19 3HG2 THR 19 -6.573 0.679 -3.974
171 H PHE 20 H PHE 20 -8.547 3.421 -3.790
172 HA PHE 20 HA PHE 20 -10.468 1.385 -4.094
173 HB2 PHE 20 2HB PHE 20 -10.284 2.715 -2.097
174 HB3 PHE 20 3HB PHE 20 -10.560 4.198 -2.993
175 HD1 PHE 20 1HD PHE 20 -12.542 0.969 -2.864
176 HD2 PHE 20 2HD PHE 20 -12.445 5.211 -2.108
177 HE1 PHE 20 1HE PHE 20 -14.931 0.906 -2.221
178 HE2 PHE 20 2HE PHE 20 -14.843 5.147 -1.481
179 HZ PHE 20 HZ PHE 20 -16.091 2.999 -1.533
180 H GLN 21 H GLN 21 -10.150 4.408 -5.951
181 HA GLN 21 HA GLN 21 -12.835 4.287 -7.015
182 HB2 GLN 21 2HB GLN 21 -10.395 5.695 -8.152
183 HB3 GLN 21 3HB GLN 21 -12.079 6.028 -8.571
184 HG2 GLN 21 2HG GLN 21 -10.588 6.650 -6.020
185 HG3 GLN 21 3HG GLN 21 -11.338 7.780 -7.129
186 HE21 GLN 21 2HE2 GLN 21 -11.674 6.811 -4.114
187 HE22 GLN 21 1HE2 GLN 21 -13.437 6.774 -3.970
188 H ARG 22 H ARG 22 -9.711 3.049 -8.140
189 HA ARG 22 HA ARG 22 -10.898 1.991 -10.651
190 HB2 ARG 22 2HB ARG 22 -8.628 1.323 -11.226
191 HB3 ARG 22 3HB ARG 22 -8.754 3.049 -10.861
192 HG2 ARG 22 2HG ARG 22 -7.730 2.689 -8.654
193 HG3 ARG 22 3HG ARG 22 -7.694 0.938 -8.924
194 HD2 ARG 22 2HD ARG 22 -5.497 1.802 -9.296
195 HD3 ARG 22 3HD ARG 22 -6.168 1.290 -10.855
196 HE ARG 22 HE ARG 22 -6.697 4.086 -10.430
197 HH11 ARG 22 2HH1 ARG 22 -3.985 2.012 -11.211
198 HH12 ARG 22 1HH1 ARG 22 -3.137 3.283 -12.051
199 HH21 ARG 22 2HH2 ARG 22 -5.568 5.659 -11.525
200 HH22 ARG 22 1HH2 ARG 22 -4.015 5.292 -12.215
201 H ASN 23 H ASN 23 -10.058 0.816 -7.491
202 HA ASN 23 HA ASN 23 -11.107 -1.870 -8.243
203 HB2 ASN 23 2HB ASN 23 -8.580 -1.879 -8.227
204 HB3 ASN 23 3HB ASN 23 -8.622 -1.392 -6.535
205 HD21 ASN 23 1HD2 ASN 23 -7.335 -3.717 -7.157
206 HD22 ASN 23 2HD2 ASN 23 -8.305 -5.099 -6.674
207 H HIS 24 H HIS 24 -13.027 -1.754 -7.182
208 HA HIS 24 HA HIS 24 -13.279 -0.393 -4.597
209 HB2 HIS 24 2HB HIS 24 -15.231 -1.820 -6.429
210 HB3 HIS 24 3HB HIS 24 -15.687 -1.185 -4.855
211 HD2 HIS 24 2HD HIS 24 -13.830 0.398 -7.959
212 HE1 HIS 24 1HE HIS 24 -16.696 3.202 -6.533
213 HE2 HIS 24 2HE HIS 24 -14.891 2.762 -8.287
214 H TYR 25 H TYR 25 -12.300 -3.525 -5.432
215 HA TYR 25 HA TYR 25 -12.779 -4.584 -2.735
216 HB2 TYR 25 2HB TYR 25 -13.878 -6.667 -3.713
217 HB3 TYR 25 3HB TYR 25 -14.837 -5.224 -3.545
218 HD1 TYR 25 2HD TYR 25 -15.734 -4.013 -5.436
219 HD2 TYR 25 1HD TYR 25 -13.297 -7.524 -6.016
220 HE1 TYR 25 2HE TYR 25 -16.426 -4.102 -7.829
221 HE2 TYR 25 1HE TYR 25 -13.994 -7.617 -8.397
222 HH TYR 25 HH TYR 25 -15.242 -6.650 -10.058
223 HA PRO 26 HA PRO 26 -8.812 -5.915 -4.802
224 HB2 PRO 26 2HB PRO 26 -7.007 -5.041 -2.968
225 HB3 PRO 26 3HB PRO 26 -7.709 -3.976 -4.208
226 HG2 PRO 26 2HG PRO 26 -8.648 -4.333 -1.347
227 HG3 PRO 26 3HG PRO 26 -8.267 -2.797 -2.193
228 HD2 PRO 26 2HD PRO 26 -10.818 -3.713 -2.018
229 HD3 PRO 26 3HD PRO 26 -10.230 -2.945 -3.525
230 H ASP 27 H ASP 27 -7.333 -7.511 -4.149
231 HA ASP 27 HA ASP 27 -8.336 -9.410 -2.057
232 HB2 ASP 27 2HB ASP 27 -8.892 -9.966 -4.474
233 HB3 ASP 27 3HB ASP 27 -7.163 -10.092 -4.775
234 H MET 28 H MET 28 -6.486 -11.197 -1.735
235 HA MET 28 HA MET 28 -4.360 -9.987 -0.384
236 HB2 MET 28 2HB MET 28 -3.277 -12.137 -0.317
237 HB3 MET 28 3HB MET 28 -5.009 -12.334 -0.072
238 HG2 MET 28 2HG MET 28 -5.317 -13.183 -2.309
239 HG3 MET 28 3HG MET 28 -3.689 -12.749 -2.791
240 HE1 MET 28 3HE MET 28 -1.633 -13.970 -2.562
241 HE2 MET 28 1HE MET 28 -1.615 -13.699 -0.809
242 HE3 MET 28 2HE MET 28 -1.331 -15.329 -1.453
243 H SER 29 H SER 29 -4.425 -10.697 -3.861
244 HA SER 29 HA SER 29 -1.563 -10.181 -4.190
245 HB2 SER 29 2HB SER 29 -3.744 -10.464 -6.288
246 HB3 SER 29 3HB SER 29 -1.993 -10.453 -6.579
247 HG SER 29 HG SER 29 -2.834 -12.589 -6.454
248 H THR 30 H THR 30 -4.608 -8.369 -4.844
249 HA THR 30 HA THR 30 -3.169 -6.095 -5.995
250 HB THR 30 HB THR 30 -5.614 -5.083 -5.717
251 HG1 THR 30 1HG THR 30 -6.402 -7.640 -6.307
252 HG21 THR 30 1HG2 THR 30 -4.807 -7.184 -7.777
253 HG22 THR 30 2HG2 THR 30 -4.483 -5.440 -7.862
254 HG23 THR 30 3HG2 THR 30 -6.150 -6.029 -7.956
255 H ARG 31 H ARG 31 -4.692 -6.806 -2.850
256 HA ARG 31 HA ARG 31 -4.255 -4.285 -1.588
257 HB2 ARG 31 2HB ARG 31 -4.034 -7.132 -0.525
258 HB3 ARG 31 3HB ARG 31 -4.016 -5.712 0.515
259 HG2 ARG 31 2HG ARG 31 -6.316 -5.168 -0.010
260 HG3 ARG 31 3HG ARG 31 -6.352 -6.364 -1.311
261 HD2 ARG 31 2HD ARG 31 -5.724 -8.097 0.475
262 HD3 ARG 31 3HD ARG 31 -6.206 -6.880 1.672
263 HE ARG 31 HE ARG 31 -8.341 -7.032 -0.122
264 HH11 ARG 31 2HH2 ARG 31 -6.655 -9.536 1.708
265 HH12 ARG 31 1HH2 ARG 31 -8.044 -10.597 1.625
266 HH21 ARG 31 2HH1 ARG 31 -9.958 -8.423 -0.241
267 HH22 ARG 31 1HH1 ARG 31 -9.919 -9.951 0.608
268 H GLU 32 H GLU 32 -2.001 -7.092 -1.895
269 HA GLU 32 HA GLU 32 0.198 -5.782 -0.596
270 HB2 GLU 32 2HB GLU 32 0.058 -8.061 -2.604
271 HB3 GLU 32 3HB GLU 32 1.589 -7.432 -1.967
272 HG2 GLU 32 2HG GLU 32 0.851 -7.869 0.337
273 HG3 GLU 32 3HG GLU 32 -0.677 -8.502 -0.250
274 H GLU 33 H GLU 33 -0.741 -5.924 -4.068
275 HA GLU 33 HA GLU 33 1.434 -4.492 -5.094
276 HB2 GLU 33 2HB GLU 33 -0.209 -5.677 -6.461
277 HB3 GLU 33 3HB GLU 33 -1.457 -4.495 -6.059
278 HG2 GLU 33 2HG GLU 33 -0.300 -2.734 -7.242
279 HG3 GLU 33 3HG GLU 33 1.124 -3.740 -7.456
280 H ILE 34 H ILE 34 -1.398 -3.047 -3.428
281 HA ILE 34 HA ILE 34 -0.287 -0.352 -3.952
282 HB ILE 34 HB ILE 34 -2.169 0.615 -3.207
283 HG12 ILE 34 2HG1 ILE 34 -4.011 -0.833 -1.934
284 HG13 ILE 34 3HG1 ILE 34 -2.599 -1.716 -1.373
285 HG21 ILE 34 1HG2 ILE 34 -4.023 -0.429 -4.307
286 HG22 ILE 34 2HG2 ILE 34 -2.560 -0.890 -5.207
287 HG23 ILE 34 3HG2 ILE 34 -3.344 -2.031 -4.088
288 HD11 ILE 34 3HD1 ILE 34 -1.678 0.455 -0.453
289 HD12 ILE 34 1HD1 ILE 34 -3.251 0.033 0.207
290 HD13 ILE 34 2HD1 ILE 34 -3.130 1.280 -1.053
291 H ALA 35 H ALA 35 -0.284 -2.723 -1.343
292 HA ALA 35 HA ALA 35 0.488 -0.927 0.762
293 HB1 ALA 35 1HB ALA 35 0.755 -3.944 0.496
294 HB2 ALA 35 2HB ALA 35 0.882 -3.017 1.993
295 HB3 ALA 35 3HB ALA 35 -0.658 -3.071 1.136
296 H VAL 36 H VAL 36 2.232 -2.723 -1.633
297 HA VAL 36 HA VAL 36 4.777 -3.030 -0.540
298 HB VAL 36 HB VAL 36 3.490 -3.045 -3.239
299 HG11 VAL 36 1HG1 VAL 36 5.499 -3.601 -4.466
300 HG12 VAL 36 2HG1 VAL 36 5.500 -1.922 -3.941
301 HG13 VAL 36 3HG1 VAL 36 6.510 -3.118 -3.079
302 HG21 VAL 36 3HG2 VAL 36 4.234 -5.324 -3.249
303 HG22 VAL 36 1HG2 VAL 36 5.367 -5.035 -1.903
304 HG23 VAL 36 2HG2 VAL 36 3.615 -4.992 -1.626
305 H TRP 37 H TRP 37 3.516 -0.126 -2.119
306 HA TRP 37 HA TRP 37 6.149 1.211 -1.683
307 HB2 TRP 37 2HB TRP 37 5.396 2.752 -3.520
308 HB3 TRP 37 3HB TRP 37 5.814 1.120 -3.983
309 HD1 TRP 37 1HD TRP 37 3.864 -0.542 -4.706
310 HE1 TRP 37 1HE TRP 37 1.491 -0.224 -5.472
311 HE3 TRP 37 3HE TRP 37 3.372 4.402 -3.548
312 HZ2 TRP 37 2HZ TRP 37 -0.436 1.982 -5.680
313 HZ3 TRP 37 3HZ TRP 37 1.255 5.611 -4.075
314 HH2 TRP 37 2HH TRP 37 -0.658 4.408 -5.102
315 H THR 38 H THR 38 3.391 0.933 -0.103
316 HA THR 38 HA THR 38 3.286 3.812 0.736
317 HB THR 38 HB THR 38 0.971 3.403 1.464
318 HG1 THR 38 1HG THR 38 0.844 1.149 -0.125
319 HG21 THR 38 1HG2 THR 38 -0.030 3.302 -0.804
320 HG22 THR 38 2HG2 THR 38 1.514 2.728 -1.475
321 HG23 THR 38 3HG2 THR 38 1.398 4.355 -0.782
322 H ASN 39 H ASN 39 4.736 1.130 1.732
323 HA ASN 39 HA ASN 39 5.459 0.264 3.669
324 HB2 ASN 39 2HB ASN 39 6.183 2.705 3.882
325 HB3 ASN 39 3HB ASN 39 4.823 2.918 4.979
326 HD21 ASN 39 2HD2 ASN 39 6.602 3.556 6.496
327 HD22 ASN 39 1HD2 ASN 39 7.432 2.269 7.358
328 H LEU 40 H LEU 40 2.908 -0.451 3.062
329 HA LEU 40 HA LEU 40 1.654 -0.980 5.738
330 HB2 LEU 40 2HB LEU 40 0.377 -0.711 2.988
331 HB3 LEU 40 3HB LEU 40 -0.483 -1.235 4.422
332 HG LEU 40 HG LEU 40 0.752 1.517 4.011
333 HD11 LEU 40 1HD1 LEU 40 -1.235 1.088 2.633
334 HD12 LEU 40 2HD1 LEU 40 -2.138 0.560 4.078
335 HD13 LEU 40 3HD1 LEU 40 -1.591 2.247 3.923
336 HD21 LEU 40 3HD2 LEU 40 -0.538 2.100 6.066
337 HD22 LEU 40 1HD2 LEU 40 -0.918 0.381 6.296
338 HD23 LEU 40 2HD2 LEU 40 0.769 0.955 6.387
339 H THR 41 H THR 41 0.091 -2.996 5.359
340 HA THR 41 HA THR 41 1.322 -5.128 3.721
341 HB THR 41 HB THR 41 2.238 -5.474 5.976
342 HG1 THR 41 1HG THR 41 1.658 -7.615 6.058
343 HG21 THR 41 1HG2 THR 41 0.771 -6.265 7.801
344 HG22 THR 41 2HG2 THR 41 -0.665 -5.858 6.840
345 HG23 THR 41 3HG2 THR 41 0.443 -4.578 7.393
346 H GLU 42 H GLU 42 -0.306 -7.017 3.518
347 HA GLU 42 HA GLU 42 -2.553 -5.848 2.283
348 HB2 GLU 42 2HB GLU 42 -3.075 -7.895 1.473
349 HB3 GLU 42 3HB GLU 42 -1.384 -8.109 1.864
350 HG2 GLU 42 2HG GLU 42 -2.306 -10.077 2.582
351 HG3 GLU 42 3HG GLU 42 -2.227 -9.173 4.086
352 H ALA 43 H ALA 43 -2.297 -7.156 5.509
353 HA ALA 43 HA ALA 43 -5.080 -7.278 6.148
354 HB1 ALA 43 1HB ALA 43 -3.316 -8.432 7.427
355 HB2 ALA 43 2HB ALA 43 -2.663 -6.866 7.966
356 HB3 ALA 43 3HB ALA 43 -4.284 -7.378 8.476
357 H ARG 44 H ARG 44 -2.746 -4.581 6.323
358 HA ARG 44 HA ARG 44 -4.516 -2.681 7.644
359 HB2 ARG 44 2HB ARG 44 -2.163 -2.213 5.756
360 HB3 ARG 44 3HB ARG 44 -2.953 -0.971 6.703
361 HG2 ARG 44 2HG ARG 44 -1.522 -3.359 7.945
362 HG3 ARG 44 3HG ARG 44 -0.791 -1.769 7.678
363 HD2 ARG 44 2HD ARG 44 -2.529 -0.718 9.076
364 HD3 ARG 44 3HD ARG 44 -3.255 -2.316 9.368
365 HE ARG 44 HE ARG 44 -0.495 -2.390 10.105
366 HH11 ARG 44 2HH2 ARG 44 -3.509 -1.078 11.315
367 HH12 ARG 44 1HH2 ARG 44 -2.976 -1.143 12.973
368 HH21 ARG 44 1HH1 ARG 44 0.124 -2.431 12.242
369 HH22 ARG 44 2HH1 ARG 44 -0.962 -1.859 13.470
370 H VAL 45 H VAL 45 -3.798 -3.400 4.224
371 HA VAL 45 HA VAL 45 -5.644 -1.457 3.173
372 HB VAL 45 HB VAL 45 -4.814 -4.035 1.804
373 HG11 VAL 45 1HG1 VAL 45 -5.078 -2.651 -0.248
374 HG12 VAL 45 2HG1 VAL 45 -6.594 -2.761 0.650
375 HG13 VAL 45 3HG1 VAL 45 -5.610 -1.286 0.747
376 HG21 VAL 45 3HG2 VAL 45 -3.316 -1.394 2.024
377 HG22 VAL 45 1HG2 VAL 45 -2.744 -3.003 2.504
378 HG23 VAL 45 2HG2 VAL 45 -2.970 -2.639 0.802
379 H ARG 46 H ARG 46 -6.050 -4.962 3.887
380 HA ARG 46 HA ARG 46 -8.770 -5.265 3.157
381 HB2 ARG 46 2HB ARG 46 -7.124 -7.074 3.815
382 HB3 ARG 46 3HB ARG 46 -7.291 -6.556 5.492
383 HG2 ARG 46 2HG ARG 46 -9.833 -7.006 5.178
384 HG3 ARG 46 3HG ARG 46 -9.371 -7.852 3.697
385 HD2 ARG 46 2HD ARG 46 -8.368 -8.452 6.521
386 HD3 ARG 46 3HD ARG 46 -9.629 -9.340 5.682
387 HE ARG 46 HE ARG 46 -6.729 -9.251 4.819
388 HH11 ARG 46 2HH2 ARG 46 -9.676 -11.174 5.087
389 HH12 ARG 46 1HH2 ARG 46 -8.851 -12.602 4.530
390 HH21 ARG 46 2HH1 ARG 46 -5.828 -10.976 4.158
391 HH22 ARG 46 1HH1 ARG 46 -6.679 -12.516 4.003
392 H VAL 47 H VAL 47 -7.441 -4.321 6.354
393 HA VAL 47 HA VAL 47 -9.943 -3.838 7.652
394 HB VAL 47 HB VAL 47 -7.127 -2.809 8.142
395 HG11 VAL 47 1HG1 VAL 47 -8.577 -1.110 9.129
396 HG12 VAL 47 2HG1 VAL 47 -9.588 -2.366 9.885
397 HG13 VAL 47 3HG1 VAL 47 -7.903 -2.123 10.405
398 HG21 VAL 47 3HG2 VAL 47 -8.876 -4.756 9.712
399 HG22 VAL 47 1HG2 VAL 47 -7.664 -5.258 8.522
400 HG23 VAL 47 2HG2 VAL 47 -7.147 -4.396 9.971
401 H TRP 48 H TRP 48 -7.810 -1.548 5.847
402 HA TRP 48 HA TRP 48 -9.440 0.732 6.352
403 HB2 TRP 48 2HB TRP 48 -7.070 0.723 5.538
404 HB3 TRP 48 3HB TRP 48 -7.657 0.243 3.946
405 HD1 TRP 48 1HD TRP 48 -7.306 3.188 6.266
406 HE1 TRP 48 1HE TRP 48 -8.033 5.355 5.104
407 HE3 TRP 48 3HE TRP 48 -9.433 1.191 2.055
408 HZ2 TRP 48 2HZ TRP 48 -9.281 6.129 2.624
409 HZ3 TRP 48 3HZ TRP 48 -10.454 2.657 0.345
410 HH2 TRP 48 2HH TRP 48 -10.435 5.116 0.639
411 H PHE 49 H PHE 49 -9.451 -1.488 3.507
412 HA PHE 49 HA PHE 49 -11.685 -0.205 2.211
413 HB2 PHE 49 2HB PHE 49 -10.213 -2.825 1.905
414 HB3 PHE 49 3HB PHE 49 -11.736 -2.591 1.085
415 HD1 PHE 49 2HD PHE 49 -8.328 -0.975 1.414
416 HD2 PHE 49 1HD PHE 49 -11.900 -1.461 -0.959
417 HE1 PHE 49 2HE PHE 49 -7.234 0.193 -0.473
418 HE2 PHE 49 1HE PHE 49 -10.785 -0.333 -2.830
419 HZ PHE 49 HZ PHE 49 -8.471 0.533 -2.601
420 H LYS 50 H LYS 50 -11.562 -2.589 4.785
421 HA LYS 50 HA LYS 50 -14.409 -3.286 4.650
422 HB2 LYS 50 2HB LYS 50 -12.685 -4.797 5.587
423 HB3 LYS 50 3HB LYS 50 -12.411 -3.657 6.916
424 HG2 LYS 50 2HG LYS 50 -14.744 -3.974 7.681
425 HG3 LYS 50 3HG LYS 50 -15.086 -4.980 6.267
426 HD2 LYS 50 2HD LYS 50 -14.792 -6.402 8.178
427 HD3 LYS 50 3HD LYS 50 -13.437 -6.663 7.071
428 HE2 LYS 50 2HE LYS 50 -11.991 -5.227 8.477
429 HE3 LYS 50 3HE LYS 50 -13.359 -4.859 9.538
430 HZ1 LYS 50 3HZ LYS 50 -12.196 -7.569 9.149
431 HZ2 LYS 50 1HZ LYS 50 -13.455 -7.220 10.129
432 HZ3 LYS 50 2HZ LYS 50 -11.974 -6.627 10.465
433 H ASN 51 H ASN 51 -12.485 -0.905 6.493
434 HA ASN 51 HA ASN 51 -14.833 0.243 7.810
435 HB2 ASN 51 2HB ASN 51 -11.958 1.149 7.397
436 HB3 ASN 51 3HB ASN 51 -13.177 2.229 8.071
437 HD21 ASN 51 1HD2 ASN 51 -11.462 -0.842 8.633
438 HD22 ASN 51 2HD2 ASN 51 -11.803 -0.841 10.363
439 H ARG 52 H ARG 52 -13.064 1.052 4.783
440 HA ARG 52 HA ARG 52 -14.444 3.438 4.299
441 HB2 ARG 52 2HB ARG 52 -12.316 2.663 3.161
442 HB3 ARG 52 3HB ARG 52 -13.288 1.599 2.159
443 HG2 ARG 52 2HG ARG 52 -12.731 3.710 0.987
444 HG3 ARG 52 3HG ARG 52 -14.465 3.477 1.134
445 HD2 ARG 52 2HD ARG 52 -14.606 5.100 2.946
446 HD3 ARG 52 3HD ARG 52 -12.849 5.228 3.021
447 HE ARG 52 HE ARG 52 -14.632 6.239 0.802
448 HH11 ARG 52 2HH1 ARG 52 -11.625 6.684 2.637
449 HH12 ARG 52 1HH1 ARG 52 -11.281 8.147 1.700
450 HH21 ARG 52 2HH2 ARG 52 -13.931 8.061 -0.312
451 HH22 ARG 52 1HH2 ARG 52 -12.421 8.824 0.233
452 H ARG 53 H ARG 53 -15.438 0.165 3.238
453 HA ARG 53 HA ARG 53 -17.693 1.108 1.709
454 HB2 ARG 53 2HB ARG 53 -18.488 -1.157 1.705
455 HB3 ARG 53 3HB ARG 53 -16.751 -1.107 1.415
456 HG2 ARG 53 2HG ARG 53 -16.440 -1.658 3.903
457 HG3 ARG 53 3HG ARG 53 -18.186 -1.929 3.981
458 HD2 ARG 53 2HD ARG 53 -17.145 -4.054 3.698
459 HD3 ARG 53 3HD ARG 53 -17.918 -3.648 2.153
460 HE ARG 53 HE ARG 53 -15.167 -2.751 2.203
461 HH11 ARG 53 2HH1 ARG 53 -16.949 -5.759 1.915
462 HH12 ARG 53 1HH1 ARG 53 -15.685 -6.526 0.994
463 HH21 ARG 53 2HH2 ARG 53 -13.652 -3.750 0.960
464 HH22 ARG 53 1HH2 ARG 53 -13.841 -5.418 0.498
465 H ALA 54 H ALA 54 -17.402 0.507 5.191
466 HA ALA 54 HA ALA 54 -20.239 0.917 5.697
467 HB1 ALA 54 1HB ALA 54 -18.747 -0.367 7.224
468 HB2 ALA 54 2HB ALA 54 -17.829 1.119 7.567
469 HB3 ALA 54 3HB ALA 54 -19.530 0.995 8.052
470 H LYS 55 H LYS 55 -17.397 3.070 5.580
471 HA LYS 55 HA LYS 55 -18.904 5.424 6.447
472 HB2 LYS 55 2HB LYS 55 -16.142 5.079 5.202
473 HB3 LYS 55 3HB LYS 55 -16.807 6.631 5.732
474 HG2 LYS 55 2HG LYS 55 -17.048 5.785 8.035
475 HG3 LYS 55 3HG LYS 55 -16.389 4.214 7.549
476 HD2 LYS 55 2HD LYS 55 -14.254 5.296 6.900
477 HD3 LYS 55 3HD LYS 55 -14.916 6.879 7.376
478 HE2 LYS 55 2HE LYS 55 -15.258 6.011 9.695
479 HE3 LYS 55 3HE LYS 55 -14.537 4.469 9.216
480 HZ1 LYS 55 3HZ LYS 55 -13.143 7.097 9.178
481 HZ2 LYS 55 1HZ LYS 55 -12.466 5.680 8.721
482 HZ3 LYS 55 2HZ LYS 55 -12.903 5.918 10.276
483 H TRP 56 H TRP 56 -17.955 4.123 3.282
484 HA TRP 56 HA TRP 56 -18.566 6.206 1.532
485 HB2 TRP 56 2HB TRP 56 -17.598 4.326 0.558
486 HB3 TRP 56 3HB TRP 56 -18.625 3.207 1.437
487 HD1 TRP 56 1HD TRP 56 -19.330 5.872 -1.242
488 HE1 TRP 56 1HE TRP 56 -21.080 4.933 -2.905
489 HE3 TRP 56 3HE TRP 56 -19.981 1.276 0.813
490 HZ2 TRP 56 2HZ TRP 56 -22.610 2.526 -3.226
491 HZ3 TRP 56 3HZ TRP 56 -21.566 -0.362 -0.194
492 HH2 TRP 56 2HH TRP 56 -22.902 0.261 -2.202
493 H ARG 57 H ARG 57 -20.803 3.805 2.894
494 HA ARG 57 HA ARG 57 -23.172 4.607 1.587
495 HB2 ARG 57 2HB ARG 57 -22.526 3.229 4.211
496 HB3 ARG 57 3HB ARG 57 -24.217 3.468 3.708
497 HG2 ARG 57 2HG ARG 57 -23.886 2.220 1.670
498 HG3 ARG 57 3HG ARG 57 -22.141 2.133 1.927
499 HD2 ARG 57 2HD ARG 57 -22.399 0.734 3.884
500 HD3 ARG 57 3HD ARG 57 -24.172 0.894 3.818
501 HE ARG 57 HE ARG 57 -23.397 -0.128 1.328
502 HH11 ARG 57 2HH1 ARG 57 -23.250 -1.279 4.633
503 HH12 ARG 57 1HH1 ARG 57 -23.328 -2.952 4.152
504 HH21 ARG 57 2HH2 ARG 57 -23.518 -2.287 0.785
505 HH22 ARG 57 1HH2 ARG 57 -23.471 -3.497 2.029
506 H LYS 58 H LYS 58 -21.618 6.294 4.195
507 HA LYS 58 HA LYS 58 -23.991 8.055 4.655
508 HB2 LYS 58 2HB LYS 58 -21.248 8.064 5.993
509 HB3 LYS 58 3HB LYS 58 -22.565 9.173 6.334
510 HG2 LYS 58 2HG LYS 58 -22.953 7.733 8.015
511 HG3 LYS 58 3HG LYS 58 -23.969 6.971 6.789
512 HD2 LYS 58 2HD LYS 58 -22.086 5.378 6.295
513 HD3 LYS 58 3HD LYS 58 -21.116 6.175 7.553
514 HE2 LYS 58 2HE LYS 58 -22.949 5.617 9.207
515 HE3 LYS 58 3HE LYS 58 -23.769 4.717 7.920
516 HZ1 LYS 58 3HZ LYS 58 -21.655 3.393 7.738
517 HZ2 LYS 58 1HZ LYS 58 -22.459 3.170 9.159
518 HZ3 LYS 58 2HZ LYS 58 -21.120 4.107 9.104
519 H ARG 59 H ARG 59 -21.372 7.980 2.510
520 HA ARG 59 HA ARG 59 -21.505 10.947 2.037
521 HB2 ARG 59 2HB ARG 59 -19.261 9.055 1.279
522 HB3 ARG 59 3HB ARG 59 -19.281 10.806 1.112
523 HG2 ARG 59 2HG ARG 59 -19.056 9.160 3.642
524 HG3 ARG 59 3HG ARG 59 -17.893 10.286 2.963
525 HD2 ARG 59 2HD ARG 59 -20.490 10.925 4.395
526 HD3 ARG 59 3HD ARG 59 -18.859 11.265 4.922
527 HE ARG 59 HE ARG 59 -18.654 12.899 3.063
528 HH11 ARG 59 2HH2 ARG 59 -21.977 12.104 4.002
529 HH12 ARG 59 1HH2 ARG 59 -22.533 13.696 3.571
530 HH21 ARG 59 2HH1 ARG 59 -19.496 14.850 2.480
531 HH22 ARG 59 1HH1 ARG 59 -21.189 15.177 2.697
532 H GLU 60 H GLU 60 -22.036 7.875 0.576
533 HA GLU 60 HA GLU 60 -22.681 7.159 -1.452
534 HB2 GLU 60 2HB GLU 60 -24.156 9.810 -1.487
535 HB3 GLU 60 3HB GLU 60 -24.422 8.484 -2.630
536 HG2 GLU 60 2HG GLU 60 -24.975 6.955 -0.763
537 HG3 GLU 60 3HG GLU 60 -24.753 8.268 0.396
538 H GLU 61 H GLU 61 -20.234 7.611 -1.628
539 HA GLU 61 HA GLU 61 -19.211 9.603 -3.355
540 HB2 GLU 61 2HB GLU 61 -18.037 6.839 -2.846
541 HB3 GLU 61 3HB GLU 61 -17.179 8.256 -3.440
542 HG2 GLU 61 2HG GLU 61 -17.654 9.434 -1.287
543 HG3 GLU 61 3HG GLU 61 -18.430 7.969 -0.678
544 H PHE 62 H PHE 62 -21.002 6.846 -4.309
545 HA PHE 62 HA PHE 62 -19.867 6.766 -7.062
546 HB2 PHE 62 2HB PHE 62 -19.968 4.622 -5.942
547 HB3 PHE 62 3HB PHE 62 -21.669 4.852 -5.553
548 HD1 PHE 62 1HD PHE 62 -19.306 4.562 -8.467
549 HD2 PHE 62 2HD PHE 62 -23.357 4.109 -7.049
550 HE1 PHE 62 1HE PHE 62 -19.956 3.538 -10.637
551 HE2 PHE 62 2HE PHE 62 -23.995 3.068 -9.209
552 HZ PHE 62 HZ PHE 62 -22.300 2.793 -11.012
553 H ILE 63 H ILE 63 -21.050 7.221 -8.841
554 HA ILE 63 HA ILE 63 -23.858 8.185 -8.614
555 HB ILE 63 HB ILE 63 -21.552 9.634 -9.967
556 HG12 ILE 63 2HG1 ILE 63 -21.607 10.067 -7.541
557 HG13 ILE 63 3HG1 ILE 63 -21.942 11.489 -8.499
558 HG21 ILE 63 1HG2 ILE 63 -23.457 9.871 -11.416
559 HG22 ILE 63 2HG2 ILE 63 -24.535 10.242 -10.053
560 HG23 ILE 63 3HG2 ILE 63 -23.263 11.385 -10.539
561 HD11 ILE 63 3HD1 ILE 63 -24.087 9.849 -7.076
562 HD12 ILE 63 1HD1 ILE 63 -24.335 11.368 -7.965
563 HD13 ILE 63 2HD1 ILE 63 -23.364 11.353 -6.485
564 H VAL 64 H VAL 64 -25.126 7.503 -10.243
565 HA VAL 64 HA VAL 64 -24.034 5.671 -12.278
566 HB VAL 64 HB VAL 64 -26.896 6.525 -11.728
567 HG11 VAL 64 1HG1 VAL 64 -26.713 5.691 -14.013
568 HG12 VAL 64 2HG1 VAL 64 -25.772 4.278 -13.464
569 HG13 VAL 64 3HG1 VAL 64 -27.481 4.461 -13.016
570 HG21 VAL 64 3HG2 VAL 64 -27.118 4.289 -10.672
571 HG22 VAL 64 1HG2 VAL 64 -25.389 3.984 -10.947
572 HG23 VAL 64 2HG2 VAL 64 -25.911 5.256 -9.821
573 H THR 65 H THR 65 -23.640 6.174 -14.348
574 HA THR 65 HA THR 65 -24.249 8.918 -15.304
575 HB THR 65 HB THR 65 -22.410 8.488 -16.930
576 HG1 THR 65 1HG THR 65 -22.365 6.290 -17.099
577 HG21 THR 65 1HG2 THR 65 -21.960 9.538 -14.720
578 HG22 THR 65 2HG2 THR 65 -20.588 8.586 -15.320
579 HG23 THR 65 3HG2 THR 65 -21.630 7.930 -14.038
580 H ASP 66 H ASP 66 -25.490 5.869 -15.767
581 HA ASP 66 HA ASP 66 -26.069 5.866 -18.601
582 HB2 ASP 66 2HB ASP 66 -25.956 3.825 -17.243
583 HB3 ASP 66 3HB ASP 66 -27.343 4.351 -16.297
Start of MODEL 9
1 H1 GLY -1 1H GLY -1 16.335 4.874 24.130
2 H2 GLY -1 2H GLY -1 16.020 4.109 22.714
3 H3 GLY -1 3H GLY -1 14.821 4.326 23.812
4 HA2 GLY -1 2HA GLY -1 14.904 6.710 23.538
5 HA3 GLY -1 3HA GLY -1 16.193 6.480 22.341
6 H SER 0 H SER 0 13.154 7.358 22.431
7 HA SER 0 HA SER 0 11.327 7.317 21.115
8 HB2 SER 0 2HB SER 0 13.324 6.709 18.921
9 HB3 SER 0 3HB SER 0 11.713 7.425 18.721
10 HG SER 0 HG SER 0 13.380 9.015 18.799
11 H GLN 1 H GLN 1 11.774 4.750 22.379
12 HA GLN 1 HA GLN 1 10.763 2.787 20.438
13 HB2 GLN 1 2HB GLN 1 11.271 1.138 21.993
14 HB3 GLN 1 3HB GLN 1 12.614 2.259 22.018
15 HG2 GLN 1 2HG GLN 1 10.377 2.179 24.111
16 HG3 GLN 1 3HG GLN 1 11.892 1.312 24.244
17 HE21 GLN 1 2HE2 GLN 1 11.324 2.930 26.330
18 HE22 GLN 1 1HE2 GLN 1 12.320 4.375 26.254
19 H ARG 2 H ARG 2 9.254 4.956 22.577
20 HA ARG 2 HA ARG 2 7.006 3.238 23.370
21 HB2 ARG 2 2HB ARG 2 7.457 6.241 23.661
22 HB3 ARG 2 3HB ARG 2 6.144 5.341 24.403
23 HG2 ARG 2 2HG ARG 2 9.116 5.016 24.999
24 HG3 ARG 2 3HG ARG 2 7.915 5.790 26.025
25 HD2 ARG 2 2HD ARG 2 8.010 2.833 25.298
26 HD3 ARG 2 3HD ARG 2 8.482 3.553 26.840
27 HE ARG 2 HE ARG 2 5.840 4.368 26.440
28 HH11 ARG 2 2HH1 ARG 2 7.430 1.275 26.884
29 HH12 ARG 2 1HH1 ARG 2 6.003 0.543 27.565
30 HH21 ARG 2 2HH2 ARG 2 4.059 3.366 27.303
31 HH22 ARG 2 1HH2 ARG 2 4.152 1.701 27.799
32 H ARG 3 H ARG 3 7.568 5.281 20.659
33 HA ARG 3 HA ARG 3 4.891 5.965 19.944
34 HB2 ARG 3 2HB ARG 3 5.810 6.359 17.672
35 HB3 ARG 3 3HB ARG 3 6.749 7.117 18.957
36 HG2 ARG 3 2HG ARG 3 8.394 5.243 18.848
37 HG3 ARG 3 3HG ARG 3 7.495 4.535 17.499
38 HD2 ARG 3 2HD ARG 3 7.982 6.399 16.078
39 HD3 ARG 3 3HD ARG 3 8.597 7.369 17.434
40 HE ARG 3 HE ARG 3 10.279 5.304 17.601
41 HH11 ARG 3 2HH2 ARG 3 9.454 7.195 14.760
42 HH12 ARG 3 1HH2 ARG 3 10.997 6.894 14.009
43 HH21 ARG 3 2HH1 ARG 3 12.173 4.914 16.570
44 HH22 ARG 3 1HH1 ARG 3 12.506 5.638 15.023
45 H GLN 4 H GLN 4 3.355 5.070 18.695
46 HA GLN 4 HA GLN 4 3.422 2.112 18.504
47 HB2 GLN 4 2HB GLN 4 1.111 4.082 18.465
48 HB3 GLN 4 3HB GLN 4 0.956 2.326 18.460
49 HG2 GLN 4 2HG GLN 4 2.184 3.990 20.707
50 HG3 GLN 4 3HG GLN 4 0.587 3.263 20.705
51 HE21 GLN 4 2HE2 GLN 4 3.773 2.757 21.774
52 HE22 GLN 4 1HE2 GLN 4 3.640 1.015 21.994
53 H ARG 5 H ARG 5 4.090 4.466 16.343
54 HA ARG 5 HA ARG 5 4.220 4.667 14.098
55 HB2 ARG 5 2HB ARG 5 4.024 1.636 14.081
56 HB3 ARG 5 3HB ARG 5 4.563 2.647 12.759
57 HG2 ARG 5 2HG ARG 5 6.558 1.937 13.616
58 HG3 ARG 5 3HG ARG 5 6.397 3.547 14.299
59 HD2 ARG 5 2HD ARG 5 7.294 2.006 15.946
60 HD3 ARG 5 3HD ARG 5 5.703 2.542 16.464
61 HE ARG 5 HE ARG 5 5.674 0.041 14.945
62 HH11 ARG 5 2HH1 ARG 5 5.973 1.297 18.235
63 HH12 ARG 5 1HH1 ARG 5 5.652 -0.273 18.920
64 HH21 ARG 5 2HH2 ARG 5 5.202 -1.880 15.926
65 HH22 ARG 5 1HH2 ARG 5 5.186 -1.996 17.659
66 H THR 6 H THR 6 1.456 4.510 15.300
67 HA THR 6 HA THR 6 -0.682 4.792 14.769
68 HB THR 6 HB THR 6 0.437 6.772 13.803
69 HG1 THR 6 1HG THR 6 -1.479 7.478 12.902
70 HG21 THR 6 1HG2 THR 6 0.129 7.162 11.347
71 HG22 THR 6 2HG2 THR 6 -0.128 5.417 11.131
72 HG23 THR 6 3HG2 THR 6 1.426 6.039 11.730
73 H HIS 7 H HIS 7 -2.504 4.695 13.111
74 HA HIS 7 HA HIS 7 -2.694 1.933 12.050
75 HB2 HIS 7 2HB HIS 7 -4.733 4.187 12.162
76 HB3 HIS 7 3HB HIS 7 -5.038 2.545 11.596
77 HD2 HIS 7 2HD HIS 7 -4.863 0.531 13.484
78 HE1 HIS 7 1HE HIS 7 -5.320 3.099 16.861
79 HE2 HIS 7 2HE HIS 7 -5.346 0.678 16.073
80 H PHE 8 H PHE 8 -3.085 5.278 10.777
81 HA PHE 8 HA PHE 8 -1.696 4.552 8.308
82 HB2 PHE 8 2HB PHE 8 -4.436 5.866 8.239
83 HB3 PHE 8 3HB PHE 8 -3.378 5.541 6.867
84 HD1 PHE 8 1HD PHE 8 -3.046 3.235 6.032
85 HD2 PHE 8 2HD PHE 8 -5.805 4.114 9.226
86 HE1 PHE 8 1HE PHE 8 -4.063 0.973 5.784
87 HE2 PHE 8 2HE PHE 8 -6.788 1.840 9.010
88 HZ PHE 8 HZ PHE 8 -5.898 0.264 7.319
89 H THR 9 H THR 9 -1.030 6.447 7.106
90 HA THR 9 HA THR 9 -0.840 8.950 8.728
91 HB THR 9 HB THR 9 1.019 9.609 7.522
92 HG1 THR 9 1HG THR 9 1.711 8.530 5.644
93 HG21 THR 9 1HG2 THR 9 1.517 7.671 9.018
94 HG22 THR 9 2HG2 THR 9 2.637 7.808 7.645
95 HG23 THR 9 3HG2 THR 9 1.346 6.589 7.622
96 H SER 10 H SER 10 -1.173 11.011 7.696
97 HA SER 10 HA SER 10 -3.468 11.235 6.076
98 HB2 SER 10 2HB SER 10 -1.289 13.313 6.310
99 HB3 SER 10 3HB SER 10 -3.021 13.548 5.974
100 HG SER 10 HG SER 10 -2.496 13.984 8.174
101 H GLN 11 H GLN 11 -0.367 10.292 4.990
102 HA GLN 11 HA GLN 11 -0.901 11.133 2.185
103 HB2 GLN 11 2HB GLN 11 1.331 11.561 3.217
104 HB3 GLN 11 3HB GLN 11 1.562 9.814 3.381
105 HG2 GLN 11 2HG GLN 11 1.382 9.560 0.914
106 HG3 GLN 11 3HG GLN 11 1.082 11.294 0.753
107 HE21 GLN 11 2HE2 GLN 11 2.896 12.799 1.357
108 HE22 GLN 11 1HE2 GLN 11 4.539 12.181 1.262
109 H GLN 12 H GLN 12 -0.467 8.156 4.194
110 HA GLN 12 HA GLN 12 -0.665 6.236 2.073
111 HB2 GLN 12 2HB GLN 12 -1.440 6.121 5.016
112 HB3 GLN 12 3HB GLN 12 -1.447 4.710 3.941
113 HG2 GLN 12 2HG GLN 12 0.896 4.890 3.502
114 HG3 GLN 12 3HG GLN 12 1.036 6.373 4.440
115 HE21 GLN 12 2HE2 GLN 12 2.331 3.716 4.802
116 HE22 GLN 12 1HE2 GLN 12 1.972 3.266 6.464
117 H LEU 13 H LEU 13 -3.134 7.735 4.130
118 HA LEU 13 HA LEU 13 -5.466 6.423 3.232
119 HB2 LEU 13 2HB LEU 13 -4.991 9.285 4.147
120 HB3 LEU 13 3HB LEU 13 -6.583 8.543 3.994
121 HG LEU 13 HG LEU 13 -4.408 7.369 5.807
122 HD11 LEU 13 1HD1 LEU 13 -6.617 9.299 6.583
123 HD12 LEU 13 2HD1 LEU 13 -5.446 8.496 7.669
124 HD13 LEU 13 3HD1 LEU 13 -4.880 9.680 6.489
125 HD21 LEU 13 3HD2 LEU 13 -6.111 5.794 5.287
126 HD22 LEU 13 1HD2 LEU 13 -6.341 6.347 6.945
127 HD23 LEU 13 2HD2 LEU 13 -7.402 6.983 5.666
128 H GLN 14 H GLN 14 -3.646 8.974 1.613
129 HA GLN 14 HA GLN 14 -5.740 9.675 -0.285
130 HB2 GLN 14 2HB GLN 14 -2.759 10.092 -0.669
131 HB3 GLN 14 3HB GLN 14 -4.086 10.968 -1.423
132 HG2 GLN 14 2HG GLN 14 -3.212 11.055 1.474
133 HG3 GLN 14 3HG GLN 14 -3.010 12.335 0.291
134 HE21 GLN 14 2HE2 GLN 14 -4.378 12.318 2.929
135 HE22 GLN 14 1HE2 GLN 14 -6.023 12.885 2.595
136 H GLU 15 H GLU 15 -2.939 7.442 -0.326
137 HA GLU 15 HA GLU 15 -3.354 6.625 -3.093
138 HB2 GLU 15 2HB GLU 15 -1.821 5.185 -0.904
139 HB3 GLU 15 3HB GLU 15 -1.684 4.931 -2.640
140 HG2 GLU 15 2HG GLU 15 -0.808 7.346 -1.025
141 HG3 GLU 15 3HG GLU 15 0.209 6.221 -1.900
142 H LEU 16 H LEU 16 -4.477 5.458 0.037
143 HA LEU 16 HA LEU 16 -5.751 3.050 -0.894
144 HB2 LEU 16 2HB LEU 16 -6.132 4.873 1.504
145 HB3 LEU 16 3HB LEU 16 -7.076 3.411 1.272
146 HG LEU 16 HG LEU 16 -4.042 3.262 1.204
147 HD11 LEU 16 1HD1 LEU 16 -4.064 2.726 3.595
148 HD12 LEU 16 2HD1 LEU 16 -4.598 4.387 3.298
149 HD13 LEU 16 3HD1 LEU 16 -5.792 3.129 3.677
150 HD21 LEU 16 3HD2 LEU 16 -6.241 1.295 1.973
151 HD22 LEU 16 1HD2 LEU 16 -5.316 1.298 0.454
152 HD23 LEU 16 2HD2 LEU 16 -4.495 0.965 1.990
153 H GLU 17 H GLU 17 -7.195 6.353 -0.265
154 HA GLU 17 HA GLU 17 -9.608 5.501 -1.609
155 HB2 GLU 17 2HB GLU 17 -10.542 7.524 -1.239
156 HB3 GLU 17 3HB GLU 17 -9.523 7.204 0.168
157 HG2 GLU 17 2HG GLU 17 -7.887 8.847 -0.600
158 HG3 GLU 17 3HG GLU 17 -8.782 9.077 -2.107
159 H ALA 18 H ALA 18 -6.678 6.729 -2.969
160 HA ALA 18 HA ALA 18 -7.861 7.349 -5.565
161 HB1 ALA 18 1HB ALA 18 -5.728 8.338 -4.878
162 HB2 ALA 18 2HB ALA 18 -4.984 6.722 -4.788
163 HB3 ALA 18 3HB ALA 18 -5.528 7.369 -6.348
164 H THR 19 H THR 19 -6.111 4.415 -4.283
165 HA THR 19 HA THR 19 -6.583 2.960 -6.731
166 HB THR 19 HB THR 19 -4.768 2.503 -5.035
167 HG1 THR 19 1HG THR 19 -6.329 0.297 -5.882
168 HG21 THR 19 1HG2 THR 19 -6.479 2.158 -3.090
169 HG22 THR 19 2HG2 THR 19 -5.127 1.061 -3.219
170 HG23 THR 19 3HG2 THR 19 -6.727 0.546 -3.804
171 H PHE 20 H PHE 20 -8.534 3.421 -3.866
172 HA PHE 20 HA PHE 20 -10.549 1.485 -4.201
173 HB2 PHE 20 2HB PHE 20 -10.363 2.991 -2.286
174 HB3 PHE 20 3HB PHE 20 -10.734 4.376 -3.285
175 HD1 PHE 20 2HD PHE 20 -13.080 4.603 -4.277
176 HD2 PHE 20 1HD PHE 20 -12.094 1.656 -1.295
177 HE1 PHE 20 2HE PHE 20 -15.489 4.316 -3.759
178 HE2 PHE 20 1HE PHE 20 -14.502 1.350 -0.798
179 HZ PHE 20 HZ PHE 20 -16.206 2.684 -2.026
180 H GLN 21 H GLN 21 -9.959 4.449 -6.111
181 HA GLN 21 HA GLN 21 -12.529 4.467 -7.384
182 HB2 GLN 21 2HB GLN 21 -9.903 5.587 -8.430
183 HB3 GLN 21 3HB GLN 21 -11.520 6.038 -8.974
184 HG2 GLN 21 2HG GLN 21 -10.147 6.673 -6.358
185 HG3 GLN 21 3HG GLN 21 -10.700 7.797 -7.580
186 HE21 GLN 21 2HE2 GLN 21 -11.352 6.982 -4.545
187 HE22 GLN 21 1HE2 GLN 21 -13.111 7.159 -4.541
188 H ARG 22 H ARG 22 -9.470 2.870 -8.254
189 HA ARG 22 HA ARG 22 -10.625 1.800 -10.778
190 HB2 ARG 22 2HB ARG 22 -8.470 0.824 -11.209
191 HB3 ARG 22 3HB ARG 22 -8.293 2.541 -10.846
192 HG2 ARG 22 2HG ARG 22 -7.399 2.075 -8.660
193 HG3 ARG 22 3HG ARG 22 -7.827 0.360 -8.768
194 HD2 ARG 22 2HD ARG 22 -6.221 0.091 -10.642
195 HD3 ARG 22 3HD ARG 22 -5.703 1.774 -10.409
196 HE ARG 22 HE ARG 22 -5.351 0.916 -7.919
197 HH11 ARG 22 2HH2 ARG 22 -4.357 -1.001 -10.749
198 HH12 ARG 22 1HH2 ARG 22 -3.286 -1.938 -9.694
199 HH21 ARG 22 2HH1 ARG 22 -4.018 -0.366 -6.837
200 HH22 ARG 22 1HH1 ARG 22 -3.083 -1.602 -7.721
201 H ASN 23 H ASN 23 -10.088 0.745 -7.504
202 HA ASN 23 HA ASN 23 -11.278 -1.919 -8.122
203 HB2 ASN 23 2HB ASN 23 -8.724 -1.929 -8.137
204 HB3 ASN 23 3HB ASN 23 -8.766 -1.470 -6.441
205 HD21 ASN 23 1HD2 ASN 23 -7.535 -3.815 -7.271
206 HD22 ASN 23 2HD2 ASN 23 -8.491 -5.189 -6.736
207 H HIS 24 H HIS 24 -13.176 -1.707 -7.025
208 HA HIS 24 HA HIS 24 -13.345 -0.329 -4.436
209 HB2 HIS 24 2HB HIS 24 -15.353 -1.727 -6.235
210 HB3 HIS 24 3HB HIS 24 -15.773 -1.109 -4.646
211 HD2 HIS 24 2HD HIS 24 -13.886 0.594 -7.675
212 HE1 HIS 24 1HE HIS 24 -16.940 3.228 -6.316
213 HE2 HIS 24 2HE HIS 24 -15.062 2.910 -8.005
214 H TYR 25 H TYR 25 -12.423 -3.476 -5.272
215 HA TYR 25 HA TYR 25 -12.832 -4.492 -2.549
216 HB2 TYR 25 2HB TYR 25 -13.966 -6.589 -3.482
217 HB3 TYR 25 3HB TYR 25 -14.913 -5.144 -3.271
218 HD1 TYR 25 1HD TYR 25 -13.460 -7.421 -5.819
219 HD2 TYR 25 2HD TYR 25 -15.898 -3.933 -5.114
220 HE1 TYR 25 1HE TYR 25 -14.251 -7.500 -8.171
221 HE2 TYR 25 2HE TYR 25 -16.685 -4.010 -7.477
222 HH TYR 25 HH TYR 25 -15.573 -6.530 -9.773
223 HA PRO 26 HA PRO 26 -8.956 -5.800 -4.793
224 HB2 PRO 26 2HB PRO 26 -7.063 -4.938 -3.029
225 HB3 PRO 26 3HB PRO 26 -7.821 -3.872 -4.238
226 HG2 PRO 26 2HG PRO 26 -8.631 -4.225 -1.333
227 HG3 PRO 26 3HG PRO 26 -8.303 -2.696 -2.213
228 HD2 PRO 26 2HD PRO 26 -10.832 -3.639 -1.899
229 HD3 PRO 26 3HD PRO 26 -10.329 -2.868 -3.435
230 H ASP 27 H ASP 27 -7.449 -7.398 -4.302
231 HA ASP 27 HA ASP 27 -8.442 -9.407 -2.311
232 HB2 ASP 27 2HB ASP 27 -8.976 -9.785 -4.756
233 HB3 ASP 27 3HB ASP 27 -7.245 -9.910 -5.055
234 H MET 28 H MET 28 -6.607 -11.236 -2.097
235 HA MET 28 HA MET 28 -4.491 -10.129 -0.630
236 HB2 MET 28 2HB MET 28 -3.449 -12.302 -0.659
237 HB3 MET 28 3HB MET 28 -5.189 -12.485 -0.465
238 HG2 MET 28 2HG MET 28 -5.461 -13.203 -2.748
239 HG3 MET 28 3HG MET 28 -3.825 -12.753 -3.179
240 HE1 MET 28 3HE MET 28 -1.776 -13.987 -2.983
241 HE2 MET 28 1HE MET 28 -1.790 -13.836 -1.214
242 HE3 MET 28 2HE MET 28 -1.499 -15.420 -1.963
243 H SER 29 H SER 29 -4.547 -10.586 -4.120
244 HA SER 29 HA SER 29 -1.665 -10.124 -4.422
245 HB2 SER 29 2HB SER 29 -3.857 -10.239 -6.527
246 HB3 SER 29 3HB SER 29 -2.111 -10.245 -6.831
247 HG SER 29 HG SER 29 -1.958 -12.240 -5.797
248 H THR 30 H THR 30 -4.697 -8.256 -4.990
249 HA THR 30 HA THR 30 -3.232 -5.936 -6.005
250 HB THR 30 HB THR 30 -5.680 -4.930 -5.721
251 HG1 THR 30 1HG THR 30 -6.434 -7.475 -6.445
252 HG21 THR 30 1HG2 THR 30 -6.164 -5.768 -8.023
253 HG22 THR 30 2HG2 THR 30 -4.812 -6.915 -7.871
254 HG23 THR 30 3HG2 THR 30 -4.507 -5.166 -7.856
255 H ARG 31 H ARG 31 -4.788 -6.784 -2.913
256 HA ARG 31 HA ARG 31 -4.352 -4.285 -1.601
257 HB2 ARG 31 2HB ARG 31 -4.346 -7.164 -0.577
258 HB3 ARG 31 3HB ARG 31 -4.246 -5.758 0.490
259 HG2 ARG 31 2HG ARG 31 -6.410 -4.913 -0.511
260 HG3 ARG 31 3HG ARG 31 -6.576 -6.458 -1.340
261 HD2 ARG 31 2HD ARG 31 -6.377 -6.056 1.654
262 HD3 ARG 31 3HD ARG 31 -7.875 -6.338 0.769
263 HE ARG 31 HE ARG 31 -5.687 -8.309 1.316
264 HH11 ARG 31 2HH2 ARG 31 -8.880 -7.969 -0.188
265 HH12 ARG 31 1HH2 ARG 31 -9.249 -9.629 0.178
266 HH21 ARG 31 2HH1 ARG 31 -6.126 -10.279 1.492
267 HH22 ARG 31 1HH1 ARG 31 -7.667 -10.985 0.982
268 H GLU 32 H GLU 32 -2.154 -7.110 -1.896
269 HA GLU 32 HA GLU 32 0.073 -5.876 -0.565
270 HB2 GLU 32 2HB GLU 32 -0.106 -8.054 -2.688
271 HB3 GLU 32 3HB GLU 32 1.435 -7.477 -2.032
272 HG2 GLU 32 2HG GLU 32 0.717 -8.048 0.245
273 HG3 GLU 32 3HG GLU 32 -0.817 -8.652 -0.368
274 H GLU 33 H GLU 33 -0.877 -5.890 -4.030
275 HA GLU 33 HA GLU 33 1.325 -4.540 -5.089
276 HB2 GLU 33 2HB GLU 33 -0.493 -5.533 -6.452
277 HB3 GLU 33 3HB GLU 33 -1.600 -4.270 -5.914
278 HG2 GLU 33 2HG GLU 33 -0.152 -2.553 -7.023
279 HG3 GLU 33 3HG GLU 33 0.845 -3.864 -7.653
280 H ILE 34 H ILE 34 -1.467 -2.987 -3.436
281 HA ILE 34 HA ILE 34 -0.275 -0.337 -3.907
282 HB ILE 34 HB ILE 34 -2.159 0.656 -3.163
283 HG12 ILE 34 2HG1 ILE 34 -4.019 -0.796 -1.920
284 HG13 ILE 34 3HG1 ILE 34 -2.618 -1.692 -1.350
285 HG21 ILE 34 1HG2 ILE 34 -3.380 -1.973 -4.027
286 HG22 ILE 34 2HG2 ILE 34 -3.956 -0.347 -4.341
287 HG23 ILE 34 3HG2 ILE 34 -2.493 -0.915 -5.159
288 HD11 ILE 34 3HD1 ILE 34 -3.284 0.063 0.229
289 HD12 ILE 34 1HD1 ILE 34 -3.136 1.308 -1.026
290 HD13 ILE 34 2HD1 ILE 34 -1.697 0.472 -0.407
291 H ALA 35 H ALA 35 -0.309 -2.702 -1.305
292 HA ALA 35 HA ALA 35 0.508 -0.933 0.806
293 HB1 ALA 35 1HB ALA 35 -0.631 -3.086 1.182
294 HB2 ALA 35 2HB ALA 35 0.760 -3.952 0.495
295 HB3 ALA 35 3HB ALA 35 0.930 -3.051 2.004
296 H VAL 36 H VAL 36 2.198 -2.711 -1.646
297 HA VAL 36 HA VAL 36 4.741 -3.039 -0.553
298 HB VAL 36 HB VAL 36 3.430 -3.086 -3.243
299 HG11 VAL 36 1HG1 VAL 36 6.449 -3.214 -3.121
300 HG12 VAL 36 2HG1 VAL 36 5.408 -3.692 -4.487
301 HG13 VAL 36 3HG1 VAL 36 5.451 -2.006 -3.981
302 HG21 VAL 36 3HG2 VAL 36 4.122 -5.375 -3.231
303 HG22 VAL 36 1HG2 VAL 36 5.283 -5.093 -1.906
304 HG23 VAL 36 2HG2 VAL 36 3.539 -5.011 -1.604
305 H TRP 37 H TRP 37 3.510 -0.132 -2.129
306 HA TRP 37 HA TRP 37 6.166 1.168 -1.718
307 HB2 TRP 37 2HB TRP 37 5.417 2.725 -3.549
308 HB3 TRP 37 3HB TRP 37 5.818 1.091 -4.018
309 HD1 TRP 37 1HD TRP 37 3.868 -0.542 -4.745
310 HE1 TRP 37 1HE TRP 37 1.473 -0.222 -5.459
311 HE3 TRP 37 3HE TRP 37 3.388 4.380 -3.517
312 HZ2 TRP 37 2HZ TRP 37 -0.462 1.988 -5.604
313 HZ3 TRP 37 3HZ TRP 37 1.254 5.593 -3.971
314 HH2 TRP 37 2HH TRP 37 -0.676 4.404 -4.976
315 H THR 38 H THR 38 3.397 0.945 -0.129
316 HA THR 38 HA THR 38 3.332 3.839 0.666
317 HB THR 38 HB THR 38 1.024 3.446 1.436
318 HG1 THR 38 1HG THR 38 0.872 1.165 -0.112
319 HG21 THR 38 1HG2 THR 38 1.542 2.736 -1.494
320 HG22 THR 38 2HG2 THR 38 1.424 4.369 -0.818
321 HG23 THR 38 3HG2 THR 38 -0.002 3.309 -0.818
322 H ASN 39 H ASN 39 4.759 1.154 1.714
323 HA ASN 39 HA ASN 39 5.471 0.313 3.668
324 HB2 ASN 39 2HB ASN 39 6.249 2.740 3.845
325 HB3 ASN 39 3HB ASN 39 4.889 3.000 4.932
326 HD21 ASN 39 1HD2 ASN 39 6.699 3.627 6.430
327 HD22 ASN 39 2HD2 ASN 39 7.487 2.333 7.322
328 H LEU 40 H LEU 40 2.933 -0.383 3.061
329 HA LEU 40 HA LEU 40 1.640 -0.824 5.733
330 HB2 LEU 40 2HB LEU 40 0.409 -0.652 2.954
331 HB3 LEU 40 3HB LEU 40 -0.472 -1.169 4.374
332 HG LEU 40 HG LEU 40 0.723 1.603 3.968
333 HD11 LEU 40 1HD1 LEU 40 -2.160 0.610 3.913
334 HD12 LEU 40 2HD1 LEU 40 -1.618 2.297 3.748
335 HD13 LEU 40 3HD1 LEU 40 -1.199 1.116 2.502
336 HD21 LEU 40 3HD2 LEU 40 -0.686 2.154 5.970
337 HD22 LEU 40 1HD2 LEU 40 -1.010 0.426 6.187
338 HD23 LEU 40 2HD2 LEU 40 0.648 1.058 6.343
339 H THR 41 H THR 41 0.156 -2.868 5.475
340 HA THR 41 HA THR 41 1.435 -5.028 3.892
341 HB THR 41 HB THR 41 2.230 -5.344 6.192
342 HG1 THR 41 1HG THR 41 1.607 -7.472 6.289
343 HG21 THR 41 1HG2 THR 41 -0.720 -5.650 6.917
344 HG22 THR 41 2HG2 THR 41 0.390 -4.387 7.504
345 HG23 THR 41 3HG2 THR 41 0.655 -6.073 7.958
346 H GLU 42 H GLU 42 -0.170 -6.843 3.515
347 HA GLU 42 HA GLU 42 -2.401 -5.637 2.269
348 HB2 GLU 42 2HB GLU 42 -2.892 -7.676 1.378
349 HB3 GLU 42 3HB GLU 42 -1.176 -7.781 1.708
350 HG2 GLU 42 2HG GLU 42 -1.881 -9.844 2.390
351 HG3 GLU 42 3HG GLU 42 -1.900 -8.987 3.925
352 H ALA 43 H ALA 43 -2.197 -7.076 5.450
353 HA ALA 43 HA ALA 43 -4.991 -7.242 6.027
354 HB1 ALA 43 1HB ALA 43 -3.247 -8.428 7.296
355 HB2 ALA 43 2HB ALA 43 -2.616 -6.880 7.907
356 HB3 ALA 43 3HB ALA 43 -4.244 -7.422 8.362
357 H ARG 44 H ARG 44 -2.690 -4.516 6.380
358 HA ARG 44 HA ARG 44 -4.498 -2.661 7.701
359 HB2 ARG 44 2HB ARG 44 -2.173 -2.143 5.792
360 HB3 ARG 44 3HB ARG 44 -3.001 -0.904 6.704
361 HG2 ARG 44 2HG ARG 44 -1.591 -3.213 8.089
362 HG3 ARG 44 3HG ARG 44 -0.761 -1.722 7.623
363 HD2 ARG 44 2HD ARG 44 -2.328 -0.388 8.970
364 HD3 ARG 44 3HD ARG 44 -3.199 -1.856 9.423
365 HE ARG 44 HE ARG 44 -1.169 -2.660 10.573
366 HH11 ARG 44 2HH2 ARG 44 -1.303 0.843 10.084
367 HH12 ARG 44 1HH2 ARG 44 -0.286 1.125 11.467
368 HH21 ARG 44 2HH1 ARG 44 0.176 -2.164 12.263
369 HH22 ARG 44 1HH1 ARG 44 0.567 -0.501 12.592
370 H VAL 45 H VAL 45 -3.748 -3.323 4.278
371 HA VAL 45 HA VAL 45 -5.627 -1.434 3.206
372 HB VAL 45 HB VAL 45 -4.688 -3.981 1.846
373 HG11 VAL 45 1HG1 VAL 45 -4.948 -2.605 -0.209
374 HG12 VAL 45 2HG1 VAL 45 -6.482 -2.792 0.647
375 HG13 VAL 45 3HG1 VAL 45 -5.573 -1.270 0.772
376 HG21 VAL 45 3HG2 VAL 45 -2.875 -2.517 0.885
377 HG22 VAL 45 1HG2 VAL 45 -3.290 -1.290 2.102
378 HG23 VAL 45 2HG2 VAL 45 -2.671 -2.879 2.591
379 H ARG 46 H ARG 46 -5.962 -4.942 3.918
380 HA ARG 46 HA ARG 46 -8.654 -5.300 3.099
381 HB2 ARG 46 2HB ARG 46 -6.919 -7.053 3.802
382 HB3 ARG 46 3HB ARG 46 -7.268 -6.616 5.476
383 HG2 ARG 46 2HG ARG 46 -9.734 -7.176 4.917
384 HG3 ARG 46 3HG ARG 46 -9.114 -7.906 3.430
385 HD2 ARG 46 2HD ARG 46 -8.301 -8.636 6.282
386 HD3 ARG 46 3HD ARG 46 -9.457 -9.523 5.297
387 HE ARG 46 HE ARG 46 -6.526 -9.242 4.598
388 HH11 ARG 46 2HH1 ARG 46 -9.333 -11.367 4.786
389 HH12 ARG 46 1HH1 ARG 46 -8.384 -12.748 4.310
390 HH21 ARG 46 2HH2 ARG 46 -5.455 -10.943 4.056
391 HH22 ARG 46 1HH2 ARG 46 -6.208 -12.532 3.901
392 H VAL 47 H VAL 47 -7.418 -4.317 6.315
393 HA VAL 47 HA VAL 47 -9.961 -3.921 7.577
394 HB VAL 47 HB VAL 47 -7.197 -2.764 8.093
395 HG11 VAL 47 1HG1 VAL 47 -9.702 -2.414 9.794
396 HG12 VAL 47 2HG1 VAL 47 -8.040 -2.073 10.328
397 HG13 VAL 47 3HG1 VAL 47 -8.749 -1.120 9.027
398 HG21 VAL 47 3HG2 VAL 47 -8.885 -4.776 9.643
399 HG22 VAL 47 1HG2 VAL 47 -7.601 -5.220 8.506
400 HG23 VAL 47 2HG2 VAL 47 -7.191 -4.314 9.963
401 H TRP 48 H TRP 48 -7.879 -1.581 5.780
402 HA TRP 48 HA TRP 48 -9.598 0.650 6.199
403 HB2 TRP 48 2HB TRP 48 -7.206 0.669 5.393
404 HB3 TRP 48 3HB TRP 48 -7.788 0.178 3.810
405 HD1 TRP 48 1HD TRP 48 -7.543 3.129 6.154
406 HE1 TRP 48 1HE TRP 48 -8.259 5.285 4.966
407 HE3 TRP 48 3HE TRP 48 -9.489 1.096 1.875
408 HZ2 TRP 48 2HZ TRP 48 -9.418 6.040 2.435
409 HZ3 TRP 48 3HZ TRP 48 -10.427 2.551 0.110
410 HH2 TRP 48 2HH TRP 48 -10.446 5.013 0.394
411 H PHE 49 H PHE 49 -9.447 -1.604 3.386
412 HA PHE 49 HA PHE 49 -11.697 -0.410 2.040
413 HB2 PHE 49 2HB PHE 49 -10.078 -2.932 1.716
414 HB3 PHE 49 3HB PHE 49 -11.611 -2.792 0.883
415 HD1 PHE 49 1HD PHE 49 -8.236 -1.191 1.182
416 HD2 PHE 49 2HD PHE 49 -11.958 -1.338 -0.998
417 HE1 PHE 49 1HE PHE 49 -7.250 0.211 -0.604
418 HE2 PHE 49 2HE PHE 49 -10.970 0.028 -2.764
419 HZ PHE 49 HZ PHE 49 -8.627 0.846 -2.575
420 H LYS 50 H LYS 50 -11.588 -2.772 4.638
421 HA LYS 50 HA LYS 50 -14.408 -3.534 4.384
422 HB2 LYS 50 2HB LYS 50 -12.719 -4.955 5.500
423 HB3 LYS 50 3HB LYS 50 -12.518 -3.732 6.764
424 HG2 LYS 50 2HG LYS 50 -14.883 -4.028 7.442
425 HG3 LYS 50 3HG LYS 50 -15.143 -5.137 6.090
426 HD2 LYS 50 2HD LYS 50 -14.913 -6.415 8.113
427 HD3 LYS 50 3HD LYS 50 -13.508 -6.728 7.087
428 HE2 LYS 50 2HE LYS 50 -12.148 -5.165 8.445
429 HE3 LYS 50 3HE LYS 50 -13.566 -4.756 9.420
430 HZ1 LYS 50 3HZ LYS 50 -12.334 -7.459 9.267
431 HZ2 LYS 50 1HZ LYS 50 -13.640 -7.073 10.169
432 HZ3 LYS 50 2HZ LYS 50 -12.189 -6.427 10.523
433 H ASN 51 H ASN 51 -12.619 -1.118 6.340
434 HA ASN 51 HA ASN 51 -15.016 -0.023 7.561
435 HB2 ASN 51 2HB ASN 51 -12.126 0.892 7.316
436 HB3 ASN 51 3HB ASN 51 -13.364 1.951 7.987
437 HD21 ASN 51 1HD2 ASN 51 -11.652 -1.117 8.498
438 HD22 ASN 51 2HD2 ASN 51 -12.099 -1.214 10.203
439 H ARG 52 H ARG 52 -13.239 0.897 4.583
440 HA ARG 52 HA ARG 52 -14.366 3.427 4.284
441 HB2 ARG 52 2HB ARG 52 -12.418 2.441 2.991
442 HB3 ARG 52 3HB ARG 52 -13.581 1.526 2.035
443 HG2 ARG 52 2HG ARG 52 -12.844 3.483 0.805
444 HG3 ARG 52 3HG ARG 52 -14.564 3.597 1.144
445 HD2 ARG 52 2HD ARG 52 -14.099 5.188 2.995
446 HD3 ARG 52 3HD ARG 52 -12.361 5.017 2.693
447 HE ARG 52 HE ARG 52 -14.154 5.943 0.492
448 HH11 ARG 52 2HH1 ARG 52 -11.605 6.924 2.744
449 HH12 ARG 52 1HH1 ARG 52 -11.231 8.321 1.722
450 HH21 ARG 52 2HH2 ARG 52 -13.594 7.863 -0.578
451 HH22 ARG 52 1HH2 ARG 52 -12.248 8.796 0.083
452 H ARG 53 H ARG 53 -15.769 0.397 3.034
453 HA ARG 53 HA ARG 53 -17.990 1.734 1.735
454 HB2 ARG 53 2HB ARG 53 -18.918 -0.440 1.363
455 HB3 ARG 53 3HB ARG 53 -17.192 -0.439 1.042
456 HG2 ARG 53 2HG ARG 53 -16.961 -1.409 3.482
457 HG3 ARG 53 3HG ARG 53 -18.702 -1.697 3.371
458 HD2 ARG 53 2HD ARG 53 -17.560 -3.716 2.719
459 HD3 ARG 53 3HD ARG 53 -18.282 -3.011 1.268
460 HE ARG 53 HE ARG 53 -15.390 -2.669 2.062
461 HH11 ARG 53 2HH1 ARG 53 -17.609 -3.245 -0.626
462 HH12 ARG 53 1HH1 ARG 53 -16.326 -2.955 -1.779
463 HH21 ARG 53 2HH2 ARG 53 -13.953 -2.298 0.581
464 HH22 ARG 53 1HH2 ARG 53 -14.330 -2.460 -1.138
465 H ALA 54 H ALA 54 -17.551 0.531 5.021
466 HA ALA 54 HA ALA 54 -20.307 0.975 5.828
467 HB1 ALA 54 1HB ALA 54 -18.732 -0.533 7.045
468 HB2 ALA 54 2HB ALA 54 -17.761 0.887 7.511
469 HB3 ALA 54 3HB ALA 54 -19.422 0.719 8.098
470 H LYS 55 H LYS 55 -17.420 3.041 5.679
471 HA LYS 55 HA LYS 55 -18.726 5.327 6.944
472 HB2 LYS 55 2HB LYS 55 -16.121 5.019 5.393
473 HB3 LYS 55 3HB LYS 55 -16.667 6.541 6.108
474 HG2 LYS 55 2HG LYS 55 -16.713 5.528 8.346
475 HG3 LYS 55 3HG LYS 55 -16.195 3.972 7.687
476 HD2 LYS 55 2HD LYS 55 -14.071 4.984 6.916
477 HD3 LYS 55 3HD LYS 55 -14.595 6.564 7.545
478 HE2 LYS 55 2HE LYS 55 -14.775 5.570 9.831
479 HE3 LYS 55 3HE LYS 55 -14.195 4.026 9.198
480 HZ1 LYS 55 3HZ LYS 55 -12.107 5.153 8.583
481 HZ2 LYS 55 1HZ LYS 55 -12.387 5.314 10.184
482 HZ3 LYS 55 2HZ LYS 55 -12.656 6.572 9.183
483 H TRP 56 H TRP 56 -18.103 4.384 3.562
484 HA TRP 56 HA TRP 56 -18.874 6.708 2.194
485 HB2 TRP 56 2HB TRP 56 -17.946 5.068 0.857
486 HB3 TRP 56 3HB TRP 56 -18.830 3.774 1.637
487 HD1 TRP 56 1HD TRP 56 -19.900 6.730 -0.612
488 HE1 TRP 56 1HE TRP 56 -21.666 5.843 -2.317
489 HE3 TRP 56 3HE TRP 56 -20.167 1.857 0.891
490 HZ2 TRP 56 2HZ TRP 56 -22.942 3.388 -2.945
491 HZ3 TRP 56 3HZ TRP 56 -21.666 0.252 -0.275
492 HH2 TRP 56 2HH TRP 56 -23.056 1.002 -2.194
493 H ARG 57 H ARG 57 -20.987 4.073 3.287
494 HA ARG 57 HA ARG 57 -23.395 4.910 2.105
495 HB2 ARG 57 2HB ARG 57 -22.672 3.276 4.559
496 HB3 ARG 57 3HB ARG 57 -24.375 3.485 4.086
497 HG2 ARG 57 2HG ARG 57 -23.949 2.452 1.904
498 HG3 ARG 57 3HG ARG 57 -22.217 2.402 2.237
499 HD2 ARG 57 2HD ARG 57 -23.052 0.206 2.607
500 HD3 ARG 57 3HD ARG 57 -22.628 0.912 4.179
501 HE ARG 57 HE ARG 57 -25.410 1.378 3.598
502 HH11 ARG 57 2HH2 ARG 57 -23.342 -1.288 4.541
503 HH12 ARG 57 1HH2 ARG 57 -24.645 -2.140 5.324
504 HH21 ARG 57 2HH1 ARG 57 -27.024 0.242 4.619
505 HH22 ARG 57 1HH1 ARG 57 -26.673 -1.292 5.358
506 H LYS 58 H LYS 58 -21.941 6.318 4.920
507 HA LYS 58 HA LYS 58 -24.355 7.644 5.937
508 HB2 LYS 58 2HB LYS 58 -21.380 7.991 6.468
509 HB3 LYS 58 3HB LYS 58 -22.560 9.114 7.106
510 HG2 LYS 58 2HG LYS 58 -22.015 7.521 8.793
511 HG3 LYS 58 3HG LYS 58 -23.713 7.351 8.339
512 HD2 LYS 58 2HD LYS 58 -23.253 5.317 7.101
513 HD3 LYS 58 3HD LYS 58 -21.497 5.567 7.263
514 HE2 LYS 58 2HE LYS 58 -21.661 5.297 9.698
515 HE3 LYS 58 3HE LYS 58 -23.419 5.117 9.592
516 HZ1 LYS 58 3HZ LYS 58 -21.500 3.297 8.242
517 HZ2 LYS 58 1HZ LYS 58 -23.116 3.080 8.366
518 HZ3 LYS 58 2HZ LYS 58 -22.183 2.968 9.703
519 H ARG 59 H ARG 59 -22.273 8.341 3.276
520 HA ARG 59 HA ARG 59 -23.565 11.031 2.915
521 HB2 ARG 59 2HB ARG 59 -20.662 10.252 2.394
522 HB3 ARG 59 3HB ARG 59 -21.382 11.804 1.973
523 HG2 ARG 59 2HG ARG 59 -21.053 10.724 4.808
524 HG3 ARG 59 3HG ARG 59 -20.039 11.935 4.028
525 HD2 ARG 59 2HD ARG 59 -21.930 13.478 3.833
526 HD3 ARG 59 3HD ARG 59 -23.027 12.289 4.520
527 HE ARG 59 HE ARG 59 -20.898 13.795 5.949
528 HH11 ARG 59 2HH1 ARG 59 -23.558 11.493 6.277
529 HH12 ARG 59 1HH1 ARG 59 -23.678 11.788 7.992
530 HH21 ARG 59 2HH2 ARG 59 -21.104 14.049 8.133
531 HH22 ARG 59 1HH2 ARG 59 -22.311 13.157 9.010
532 H GLU 60 H GLU 60 -22.769 8.039 1.404
533 HA GLU 60 HA GLU 60 -23.156 7.186 -0.645
534 HB2 GLU 60 2HB GLU 60 -25.382 9.239 -0.806
535 HB3 GLU 60 3HB GLU 60 -25.205 7.793 -1.808
536 HG2 GLU 60 2HG GLU 60 -25.320 6.370 0.239
537 HG3 GLU 60 3HG GLU 60 -25.598 7.816 1.214
538 H GLU 61 H GLU 61 -21.024 8.840 -0.574
539 HA GLU 61 HA GLU 61 -20.827 10.813 -2.621
540 HB2 GLU 61 2HB GLU 61 -18.779 8.995 -1.293
541 HB3 GLU 61 3HB GLU 61 -18.321 10.259 -2.423
542 HG2 GLU 61 2HG GLU 61 -19.915 10.792 0.120
543 HG3 GLU 61 3HG GLU 61 -18.162 10.851 0.036
544 H PHE 62 H PHE 62 -20.726 7.381 -2.880
545 HA PHE 62 HA PHE 62 -20.413 7.504 -5.841
546 HB2 PHE 62 2HB PHE 62 -18.447 6.416 -4.836
547 HB3 PHE 62 3HB PHE 62 -19.481 5.317 -3.938
548 HD1 PHE 62 1HD PHE 62 -18.453 6.323 -7.394
549 HD2 PHE 62 2HD PHE 62 -20.280 3.286 -4.932
550 HE1 PHE 62 1HE PHE 62 -18.432 4.747 -9.317
551 HE2 PHE 62 2HE PHE 62 -20.250 1.714 -6.856
552 HZ PHE 62 HZ PHE 62 -19.333 2.444 -9.049
553 H ILE 63 H ILE 63 -21.801 5.983 -6.988
554 HA ILE 63 HA ILE 63 -24.149 4.984 -5.435
555 HB ILE 63 HB ILE 63 -24.317 6.651 -7.961
556 HG12 ILE 63 2HG1 ILE 63 -25.137 7.229 -5.071
557 HG13 ILE 63 3HG1 ILE 63 -23.839 8.019 -5.966
558 HG21 ILE 63 1HG2 ILE 63 -26.532 5.371 -6.285
559 HG22 ILE 63 2HG2 ILE 63 -26.765 6.409 -7.708
560 HG23 ILE 63 3HG2 ILE 63 -26.026 4.836 -7.905
561 HD11 ILE 63 3HD1 ILE 63 -25.532 8.929 -7.566
562 HD12 ILE 63 1HD1 ILE 63 -25.656 9.525 -5.896
563 HD13 ILE 63 2HD1 ILE 63 -26.805 8.310 -6.476
564 H VAL 64 H VAL 64 -24.705 2.999 -5.910
565 HA VAL 64 HA VAL 64 -23.334 1.496 -8.056
566 HB VAL 64 HB VAL 64 -25.208 0.535 -5.866
567 HG11 VAL 64 1HG1 VAL 64 -23.371 -1.008 -7.752
568 HG12 VAL 64 2HG1 VAL 64 -24.227 -1.702 -6.360
569 HG13 VAL 64 3HG1 VAL 64 -25.152 -1.065 -7.716
570 HG21 VAL 64 3HG2 VAL 64 -22.158 0.446 -6.021
571 HG22 VAL 64 1HG2 VAL 64 -23.108 1.445 -4.901
572 HG23 VAL 64 2HG2 VAL 64 -23.154 -0.312 -4.762
573 H THR 65 H THR 65 -24.293 0.834 -9.909
574 HA THR 65 HA THR 65 -27.086 1.685 -10.400
575 HB THR 65 HB THR 65 -25.263 2.469 -11.862
576 HG1 THR 65 1HG THR 65 -27.326 2.455 -12.669
577 HG21 THR 65 1HG2 THR 65 -24.336 1.032 -13.588
578 HG22 THR 65 2HG2 THR 65 -25.182 -0.383 -12.928
579 HG23 THR 65 3HG2 THR 65 -23.888 0.404 -11.994
580 H ASP 66 H ASP 66 -25.281 -1.314 -10.151
581 HA ASP 66 HA ASP 66 -27.762 -2.899 -10.323
582 HB2 ASP 66 2HB ASP 66 -26.976 -2.813 -12.655
583 HB3 ASP 66 3HB ASP 66 -25.384 -3.376 -12.162
Start of MODEL 10
1 H1 GLY -1 1H GLY -1 -8.094 -0.710 33.574
2 H2 GLY -1 2H GLY -1 -8.363 0.724 32.828
3 H3 GLY -1 3H GLY -1 -6.862 0.350 33.364
4 HA2 GLY -1 2HA GLY -1 -6.666 -1.448 31.782
5 HA3 GLY -1 3HA GLY -1 -8.302 -1.065 31.211
6 H SER 0 H SER 0 -5.691 -1.060 29.773
7 HA SER 0 HA SER 0 -4.818 1.609 29.264
8 HB2 SER 0 2HB SER 0 -4.580 -0.849 27.492
9 HB3 SER 0 3HB SER 0 -3.621 0.638 27.366
10 HG SER 0 HG SER 0 -2.524 -1.004 28.547
11 H GLN 1 H GLN 1 -5.055 2.943 27.432
12 HA GLN 1 HA GLN 1 -7.691 3.333 26.541
13 HB2 GLN 1 2HB GLN 1 -6.797 5.116 25.140
14 HB3 GLN 1 3HB GLN 1 -6.157 5.126 26.769
15 HG2 GLN 1 2HG GLN 1 -4.301 5.645 25.484
16 HG3 GLN 1 3HG GLN 1 -4.058 3.947 25.852
17 HE21 GLN 1 2HE2 GLN 1 -2.519 4.155 23.955
18 HE22 GLN 1 1HE2 GLN 1 -3.200 4.002 22.344
19 H ARG 2 H ARG 2 -8.684 3.276 24.515
20 HA ARG 2 HA ARG 2 -8.361 0.648 23.289
21 HB2 ARG 2 2HB ARG 2 -10.482 2.787 22.894
22 HB3 ARG 2 3HB ARG 2 -10.578 1.131 22.307
23 HG2 ARG 2 2HG ARG 2 -10.512 1.932 25.255
24 HG3 ARG 2 3HG ARG 2 -11.933 1.528 24.308
25 HD2 ARG 2 2HD ARG 2 -11.509 -0.437 25.456
26 HD3 ARG 2 3HD ARG 2 -10.860 -0.744 23.843
27 HE ARG 2 HE ARG 2 -9.004 0.224 25.980
28 HH11 ARG 2 2HH2 ARG 2 -10.066 -2.587 24.159
29 HH12 ARG 2 1HH2 ARG 2 -8.672 -3.515 24.637
30 HH21 ARG 2 2HH1 ARG 2 -7.321 -0.974 26.536
31 HH22 ARG 2 1HH1 ARG 2 -7.134 -2.623 25.964
32 H ARG 3 H ARG 3 -6.207 1.912 22.505
33 HA ARG 3 HA ARG 3 -4.876 2.529 20.743
34 HB2 ARG 3 2HB ARG 3 -6.762 0.649 19.264
35 HB3 ARG 3 3HB ARG 3 -5.250 1.276 18.619
36 HG2 ARG 3 2HG ARG 3 -4.695 -0.833 19.369
37 HG3 ARG 3 3HG ARG 3 -4.035 0.257 20.586
38 HD2 ARG 3 2HD ARG 3 -5.827 -0.311 22.139
39 HD3 ARG 3 3HD ARG 3 -6.696 -1.212 20.897
40 HE ARG 3 HE ARG 3 -4.321 -2.046 22.437
41 HH11 ARG 3 2HH1 ARG 3 -6.341 -2.884 19.691
42 HH12 ARG 3 1HH1 ARG 3 -5.790 -4.536 19.683
43 HH21 ARG 3 2HH2 ARG 3 -3.666 -4.161 22.358
44 HH22 ARG 3 1HH2 ARG 3 -4.318 -5.232 21.153
45 H GLN 4 H GLN 4 -6.333 4.554 21.356
46 HA GLN 4 HA GLN 4 -7.900 5.634 19.152
47 HB2 GLN 4 2HB GLN 4 -8.459 5.856 21.584
48 HB3 GLN 4 3HB GLN 4 -7.076 6.926 21.782
49 HG2 GLN 4 2HG GLN 4 -9.163 8.194 21.583
50 HG3 GLN 4 3HG GLN 4 -8.111 8.565 20.227
51 HE21 GLN 4 2HE2 GLN 4 -11.012 6.638 21.172
52 HE22 GLN 4 1HE2 GLN 4 -11.647 6.558 19.535
53 H ARG 5 H ARG 5 -5.940 5.330 17.746
54 HA ARG 5 HA ARG 5 -4.383 7.881 17.421
55 HB2 ARG 5 2HB ARG 5 -3.424 5.025 16.934
56 HB3 ARG 5 3HB ARG 5 -2.516 6.468 16.519
57 HG2 ARG 5 2HG ARG 5 -3.222 5.646 19.373
58 HG3 ARG 5 3HG ARG 5 -1.719 5.285 18.539
59 HD2 ARG 5 2HD ARG 5 -1.215 7.135 19.880
60 HD3 ARG 5 3HD ARG 5 -1.350 7.778 18.235
61 HE ARG 5 HE ARG 5 -3.881 7.942 19.604
62 HH11 ARG 5 2HH2 ARG 5 -0.801 9.615 19.650
63 HH12 ARG 5 1HH2 ARG 5 -1.535 11.096 20.208
64 HH21 ARG 5 2HH1 ARG 5 -4.731 9.771 20.252
65 HH22 ARG 5 1HH1 ARG 5 -3.744 11.183 20.560
66 H THR 6 H THR 6 -3.743 8.348 15.231
67 HA THR 6 HA THR 6 -5.831 8.063 13.334
68 HB THR 6 HB THR 6 -2.977 8.761 12.591
69 HG1 THR 6 1HG THR 6 -3.436 10.848 13.316
70 HG21 THR 6 1HG2 THR 6 -5.682 9.888 11.716
71 HG22 THR 6 2HG2 THR 6 -4.661 8.794 10.757
72 HG23 THR 6 3HG2 THR 6 -4.089 10.422 11.130
73 H HIS 7 H HIS 7 -2.983 6.113 13.842
74 HA HIS 7 HA HIS 7 -2.239 4.134 13.124
75 HB2 HIS 7 2HB HIS 7 -4.675 3.641 13.632
76 HB3 HIS 7 3HB HIS 7 -4.964 3.658 11.898
77 HD2 HIS 7 2HD HIS 7 -2.358 1.870 14.233
78 HE1 HIS 7 1HE HIS 7 -4.138 -1.091 11.736
79 HE2 HIS 7 2HE HIS 7 -2.466 -0.686 13.616
80 H PHE 8 H PHE 8 -3.692 5.956 10.502
81 HA PHE 8 HA PHE 8 -1.558 5.024 8.608
82 HB2 PHE 8 2HB PHE 8 -4.378 5.989 8.055
83 HB3 PHE 8 3HB PHE 8 -3.159 5.687 6.828
84 HD1 PHE 8 2HD PHE 8 -5.287 4.032 9.423
85 HD2 PHE 8 1HD PHE 8 -2.803 3.502 5.940
86 HE1 PHE 8 2HE PHE 8 -6.068 1.684 9.223
87 HE2 PHE 8 1HE PHE 8 -3.635 1.176 5.706
88 HZ PHE 8 HZ PHE 8 -5.263 0.260 7.355
89 H THR 9 H THR 9 -0.891 6.716 7.060
90 HA THR 9 HA THR 9 -0.778 9.414 8.330
91 HB THR 9 HB THR 9 1.068 9.943 7.038
92 HG1 THR 9 1HG THR 9 1.788 8.593 5.340
93 HG21 THR 9 1HG2 THR 9 1.477 6.970 7.523
94 HG22 THR 9 2HG2 THR 9 1.591 8.220 8.784
95 HG23 THR 9 3HG2 THR 9 2.721 8.231 7.415
96 H SER 10 H SER 10 -1.176 11.347 7.105
97 HA SER 10 HA SER 10 -3.390 11.325 5.314
98 HB2 SER 10 2HB SER 10 -1.310 13.509 5.537
99 HB3 SER 10 3HB SER 10 -3.015 13.644 5.045
100 HG SER 10 HG SER 10 -2.686 14.294 7.231
101 H GLN 11 H GLN 11 -0.220 10.347 4.565
102 HA GLN 11 HA GLN 11 -0.547 10.959 1.672
103 HB2 GLN 11 2HB GLN 11 1.668 11.264 2.837
104 HB3 GLN 11 3HB GLN 11 1.732 9.507 3.063
105 HG2 GLN 11 2HG GLN 11 1.584 9.209 0.587
106 HG3 GLN 11 3HG GLN 11 1.492 10.962 0.391
107 HE21 GLN 11 2HE2 GLN 11 3.436 10.044 -1.080
108 HE22 GLN 11 1HE2 GLN 11 5.006 10.198 -0.303
109 H GLN 12 H GLN 12 -0.418 8.159 3.961
110 HA GLN 12 HA GLN 12 -0.745 6.101 1.973
111 HB2 GLN 12 2HB GLN 12 -1.454 6.205 4.931
112 HB3 GLN 12 3HB GLN 12 -1.512 4.738 3.933
113 HG2 GLN 12 2HG GLN 12 0.831 4.815 3.483
114 HG3 GLN 12 3HG GLN 12 1.030 6.356 4.306
115 HE21 GLN 12 2HE2 GLN 12 2.218 3.666 4.820
116 HE22 GLN 12 1HE2 GLN 12 1.870 3.333 6.510
117 H LEU 13 H LEU 13 -3.081 7.807 4.063
118 HA LEU 13 HA LEU 13 -5.473 6.532 3.299
119 HB2 LEU 13 2HB LEU 13 -4.908 9.418 4.092
120 HB3 LEU 13 3HB LEU 13 -6.520 8.705 4.022
121 HG LEU 13 HG LEU 13 -4.315 7.550 5.794
122 HD11 LEU 13 1HD1 LEU 13 -4.690 9.891 6.433
123 HD12 LEU 13 2HD1 LEU 13 -6.437 9.575 6.579
124 HD13 LEU 13 3HD1 LEU 13 -5.270 8.764 7.661
125 HD21 LEU 13 3HD2 LEU 13 -7.318 7.221 5.715
126 HD22 LEU 13 1HD2 LEU 13 -6.039 5.991 5.433
127 HD23 LEU 13 2HD2 LEU 13 -6.286 6.663 7.047
128 H GLN 14 H GLN 14 -3.704 9.061 1.564
129 HA GLN 14 HA GLN 14 -5.879 9.585 -0.324
130 HB2 GLN 14 2HB GLN 14 -2.942 10.391 -0.339
131 HB3 GLN 14 3HB GLN 14 -4.128 10.897 -1.543
132 HG2 GLN 14 2HG GLN 14 -4.266 11.488 1.433
133 HG3 GLN 14 3HG GLN 14 -3.808 12.635 0.176
134 HE21 GLN 14 2HE2 GLN 14 -6.410 11.412 2.022
135 HE22 GLN 14 1HE2 GLN 14 -7.738 11.801 0.927
136 H GLU 15 H GLU 15 -2.929 7.549 -0.357
137 HA GLU 15 HA GLU 15 -3.369 6.673 -3.109
138 HB2 GLU 15 2HB GLU 15 -1.820 5.293 -0.890
139 HB3 GLU 15 3HB GLU 15 -1.746 4.921 -2.609
140 HG2 GLU 15 2HG GLU 15 -0.790 7.442 -1.217
141 HG3 GLU 15 3HG GLU 15 0.194 6.212 -1.969
142 H LEU 16 H LEU 16 -4.455 5.510 0.065
143 HA LEU 16 HA LEU 16 -5.728 3.116 -0.876
144 HB2 LEU 16 2HB LEU 16 -6.092 4.905 1.552
145 HB3 LEU 16 3HB LEU 16 -7.013 3.427 1.323
146 HG LEU 16 HG LEU 16 -3.980 3.328 1.178
147 HD11 LEU 16 1HD1 LEU 16 -4.528 4.458 3.292
148 HD12 LEU 16 2HD1 LEU 16 -5.633 3.136 3.711
149 HD13 LEU 16 3HD1 LEU 16 -3.895 2.827 3.557
150 HD21 LEU 16 3HD2 LEU 16 -5.245 1.347 0.465
151 HD22 LEU 16 1HD2 LEU 16 -4.372 1.027 1.975
152 HD23 LEU 16 2HD2 LEU 16 -6.123 1.328 2.013
153 H GLU 17 H GLU 17 -7.182 6.386 -0.153
154 HA GLU 17 HA GLU 17 -9.659 5.488 -1.316
155 HB2 GLU 17 2HB GLU 17 -10.638 7.415 -0.775
156 HB3 GLU 17 3HB GLU 17 -9.435 7.208 0.496
157 HG2 GLU 17 2HG GLU 17 -8.014 8.920 -0.612
158 HG3 GLU 17 3HG GLU 17 -9.264 9.146 -1.841
159 H ALA 18 H ALA 18 -6.889 6.889 -2.855
160 HA ALA 18 HA ALA 18 -8.318 7.465 -5.345
161 HB1 ALA 18 1HB ALA 18 -6.069 7.752 -6.286
162 HB2 ALA 18 2HB ALA 18 -6.250 8.659 -4.775
163 HB3 ALA 18 3HB ALA 18 -5.343 7.126 -4.792
164 H THR 19 H THR 19 -6.270 4.694 -4.168
165 HA THR 19 HA THR 19 -6.611 3.298 -6.655
166 HB THR 19 HB THR 19 -4.758 3.045 -4.886
167 HG1 THR 19 1HG THR 19 -4.422 0.952 -5.764
168 HG21 THR 19 1HG2 THR 19 -6.410 0.646 -4.036
169 HG22 THR 19 2HG2 THR 19 -6.416 2.156 -3.095
170 HG23 THR 19 3HG2 THR 19 -4.907 1.296 -3.325
171 H PHE 20 H PHE 20 -8.521 3.383 -3.750
172 HA PHE 20 HA PHE 20 -10.363 1.288 -4.202
173 HB2 PHE 20 2HB PHE 20 -10.277 2.548 -2.144
174 HB3 PHE 20 3HB PHE 20 -10.582 4.055 -2.987
175 HD1 PHE 20 2HD PHE 20 -12.400 0.728 -3.025
176 HD2 PHE 20 1HD PHE 20 -12.572 4.956 -2.212
177 HE1 PHE 20 2HE PHE 20 -14.820 0.531 -2.526
178 HE2 PHE 20 1HE PHE 20 -15.000 4.757 -1.726
179 HZ PHE 20 HZ PHE 20 -16.124 2.544 -1.872
180 H GLN 21 H GLN 21 -9.999 4.355 -5.971
181 HA GLN 21 HA GLN 21 -12.629 4.226 -7.190
182 HB2 GLN 21 2HB GLN 21 -10.177 5.730 -8.153
183 HB3 GLN 21 3HB GLN 21 -11.847 6.021 -8.639
184 HG2 GLN 21 2HG GLN 21 -10.509 6.620 -6.001
185 HG3 GLN 21 3HG GLN 21 -11.240 7.755 -7.118
186 HE21 GLN 21 2HE2 GLN 21 -11.696 6.641 -4.151
187 HE22 GLN 21 1HE2 GLN 21 -13.463 6.532 -4.108
188 H ARG 22 H ARG 22 -9.381 3.117 -8.175
189 HA ARG 22 HA ARG 22 -10.375 2.148 -10.793
190 HB2 ARG 22 2HB ARG 22 -8.108 1.430 -11.212
191 HB3 ARG 22 3HB ARG 22 -8.141 3.124 -10.709
192 HG2 ARG 22 2HG ARG 22 -7.373 2.497 -8.465
193 HG3 ARG 22 3HG ARG 22 -7.437 0.778 -8.880
194 HD2 ARG 22 2HD ARG 22 -5.177 1.347 -9.008
195 HD3 ARG 22 3HD ARG 22 -5.725 1.237 -10.675
196 HE ARG 22 HE ARG 22 -5.568 3.598 -10.912
197 HH11 ARG 22 2HH1 ARG 22 -4.548 2.680 -7.662
198 HH12 ARG 22 1HH1 ARG 22 -3.671 4.174 -7.450
199 HH21 ARG 22 2HH2 ARG 22 -4.492 5.487 -10.509
200 HH22 ARG 22 1HH2 ARG 22 -3.683 5.727 -8.991
201 H ASN 23 H ASN 23 -9.773 0.839 -7.611
202 HA ASN 23 HA ASN 23 -10.813 -1.809 -8.507
203 HB2 ASN 23 2HB ASN 23 -8.299 -1.815 -8.366
204 HB3 ASN 23 3HB ASN 23 -8.422 -1.366 -6.663
205 HD21 ASN 23 1HD2 ASN 23 -7.095 -3.664 -7.272
206 HD22 ASN 23 2HD2 ASN 23 -8.073 -5.068 -6.877
207 H HIS 24 H HIS 24 -12.787 -1.695 -7.565
208 HA HIS 24 HA HIS 24 -13.181 -0.431 -4.952
209 HB2 HIS 24 2HB HIS 24 -15.035 -1.798 -6.928
210 HB3 HIS 24 3HB HIS 24 -15.570 -1.197 -5.364
211 HD2 HIS 24 2HD HIS 24 -13.576 0.409 -8.367
212 HE1 HIS 24 1HE HIS 24 -16.399 3.265 -6.953
213 HE2 HIS 24 2HE HIS 24 -14.561 2.811 -8.669
214 H TYR 25 H TYR 25 -12.186 -3.561 -5.853
215 HA TYR 25 HA TYR 25 -12.793 -4.672 -3.203
216 HB2 TYR 25 2HB TYR 25 -13.864 -6.722 -4.265
217 HB3 TYR 25 3HB TYR 25 -14.818 -5.272 -4.118
218 HD1 TYR 25 2HD TYR 25 -15.597 -4.009 -6.038
219 HD2 TYR 25 1HD TYR 25 -13.211 -7.566 -6.542
220 HE1 TYR 25 2HE TYR 25 -16.179 -4.058 -8.461
221 HE2 TYR 25 1HE TYR 25 -13.801 -7.621 -8.953
222 HH TYR 25 HH TYR 25 -14.951 -6.613 -10.660
223 HA PRO 26 HA PRO 26 -8.743 -5.955 -5.126
224 HB2 PRO 26 2HB PRO 26 -7.024 -5.157 -3.182
225 HB3 PRO 26 3HB PRO 26 -7.677 -4.036 -4.398
226 HG2 PRO 26 2HG PRO 26 -8.754 -4.528 -1.607
227 HG3 PRO 26 3HG PRO 26 -8.323 -2.954 -2.355
228 HD2 PRO 26 2HD PRO 26 -10.881 -3.854 -2.359
229 HD3 PRO 26 3HD PRO 26 -10.210 -3.037 -3.803
230 H ASP 27 H ASP 27 -7.257 -7.560 -4.434
231 HA ASP 27 HA ASP 27 -8.363 -9.546 -2.477
232 HB2 ASP 27 2HB ASP 27 -8.830 -9.963 -4.950
233 HB3 ASP 27 3HB ASP 27 -7.096 -10.147 -5.176
234 H MET 28 H MET 28 -6.473 -11.399 -2.276
235 HA MET 28 HA MET 28 -4.398 -10.266 -0.738
236 HB2 MET 28 2HB MET 28 -3.289 -12.417 -0.849
237 HB3 MET 28 3HB MET 28 -5.021 -12.635 -0.612
238 HG2 MET 28 2HG MET 28 -5.341 -13.297 -2.910
239 HG3 MET 28 3HG MET 28 -3.707 -12.842 -3.356
240 HE1 MET 28 3HE MET 28 -1.662 -13.979 -1.410
241 HE2 MET 28 1HE MET 28 -1.383 -15.550 -2.191
242 HE3 MET 28 2HE MET 28 -1.649 -14.094 -3.181
243 H SER 29 H SER 29 -4.407 -10.707 -4.244
244 HA SER 29 HA SER 29 -1.560 -10.228 -4.587
245 HB2 SER 29 2HB SER 29 -2.260 -10.122 -7.013
246 HB3 SER 29 3HB SER 29 -2.695 -11.623 -6.158
247 HG SER 29 HG SER 29 -4.436 -10.804 -7.420
248 H THR 30 H THR 30 -4.549 -8.354 -5.205
249 HA THR 30 HA THR 30 -3.078 -5.986 -6.000
250 HB THR 30 HB THR 30 -5.533 -4.987 -5.740
251 HG1 THR 30 1HG THR 30 -6.193 -7.561 -6.531
252 HG21 THR 30 1HG2 THR 30 -4.584 -6.893 -7.929
253 HG22 THR 30 2HG2 THR 30 -4.308 -5.139 -7.853
254 HG23 THR 30 3HG2 THR 30 -5.948 -5.766 -8.092
255 H ARG 31 H ARG 31 -4.691 -6.918 -2.949
256 HA ARG 31 HA ARG 31 -4.312 -4.426 -1.601
257 HB2 ARG 31 2HB ARG 31 -4.398 -7.318 -0.632
258 HB3 ARG 31 3HB ARG 31 -4.289 -5.939 0.476
259 HG2 ARG 31 2HG ARG 31 -6.374 -4.985 -0.571
260 HG3 ARG 31 3HG ARG 31 -6.572 -6.490 -1.467
261 HD2 ARG 31 2HD ARG 31 -6.426 -6.357 1.561
262 HD3 ARG 31 3HD ARG 31 -7.928 -6.216 0.653
263 HE ARG 31 HE ARG 31 -7.757 -8.465 -0.087
264 HH11 ARG 31 2HH1 ARG 31 -5.300 -7.757 2.361
265 HH12 ARG 31 1HH1 ARG 31 -4.826 -9.455 2.399
266 HH21 ARG 31 2HH2 ARG 31 -7.218 -10.625 0.341
267 HH22 ARG 31 1HH2 ARG 31 -5.946 -10.950 1.491
268 H GLU 32 H GLU 32 -2.090 -7.225 -1.919
269 HA GLU 32 HA GLU 32 0.104 -5.959 -0.515
270 HB2 GLU 32 2HB GLU 32 0.034 -8.108 -2.679
271 HB3 GLU 32 3HB GLU 32 1.533 -7.477 -1.998
272 HG2 GLU 32 2HG GLU 32 0.715 -8.099 0.286
273 HG3 GLU 32 3HG GLU 32 -0.640 -8.938 -0.471
274 H GLU 33 H GLU 33 -0.821 -5.986 -3.980
275 HA GLU 33 HA GLU 33 1.400 -4.603 -4.979
276 HB2 GLU 33 2HB GLU 33 -0.243 -5.740 -6.378
277 HB3 GLU 33 3HB GLU 33 -1.465 -4.516 -5.999
278 HG2 GLU 33 2HG GLU 33 -0.276 -2.806 -7.177
279 HG3 GLU 33 3HG GLU 33 1.159 -3.812 -7.328
280 H ILE 34 H ILE 34 -1.459 -3.070 -3.426
281 HA ILE 34 HA ILE 34 -0.304 -0.401 -3.947
282 HB ILE 34 HB ILE 34 -2.196 0.580 -3.230
283 HG12 ILE 34 2HG1 ILE 34 -4.023 -0.850 -1.911
284 HG13 ILE 34 3HG1 ILE 34 -2.598 -1.707 -1.336
285 HG21 ILE 34 1HG2 ILE 34 -4.049 -0.497 -4.300
286 HG22 ILE 34 2HG2 ILE 34 -2.591 -1.002 -5.187
287 HG23 ILE 34 3HG2 ILE 34 -3.382 -2.089 -4.018
288 HD11 ILE 34 3HD1 ILE 34 -3.243 0.097 0.194
289 HD12 ILE 34 1HD1 ILE 34 -3.172 1.299 -1.109
290 HD13 ILE 34 2HD1 ILE 34 -1.692 0.529 -0.509
291 H ALA 35 H ALA 35 -0.295 -2.739 -1.322
292 HA ALA 35 HA ALA 35 0.472 -0.933 0.775
293 HB1 ALA 35 1HB ALA 35 0.914 -3.036 1.995
294 HB2 ALA 35 2HB ALA 35 -0.643 -3.087 1.164
295 HB3 ALA 35 3HB ALA 35 0.757 -3.953 0.494
296 H VAL 36 H VAL 36 2.215 -2.737 -1.604
297 HA VAL 36 HA VAL 36 4.756 -3.043 -0.509
298 HB VAL 36 HB VAL 36 3.467 -3.086 -3.211
299 HG11 VAL 36 1HG1 VAL 36 5.505 -2.008 -3.921
300 HG12 VAL 36 2HG1 VAL 36 6.487 -3.215 -3.041
301 HG13 VAL 36 3HG1 VAL 36 5.471 -3.694 -4.426
302 HG21 VAL 36 3HG2 VAL 36 4.175 -5.376 -3.197
303 HG22 VAL 36 1HG2 VAL 36 5.306 -5.092 -1.849
304 HG23 VAL 36 2HG2 VAL 36 3.556 -5.019 -1.580
305 H TRP 37 H TRP 37 3.513 -0.150 -2.105
306 HA TRP 37 HA TRP 37 6.155 1.175 -1.691
307 HB2 TRP 37 2HB TRP 37 5.396 2.706 -3.543
308 HB3 TRP 37 3HB TRP 37 5.816 1.071 -3.989
309 HD1 TRP 37 1HD TRP 37 3.884 -0.593 -4.707
310 HE1 TRP 37 1HE TRP 37 1.489 -0.304 -5.436
311 HE3 TRP 37 3HE TRP 37 3.353 4.339 -3.539
312 HZ2 TRP 37 2HZ TRP 37 -0.469 1.881 -5.604
313 HZ3 TRP 37 3HZ TRP 37 1.209 5.524 -4.016
314 HH2 TRP 37 2HH TRP 37 -0.710 4.301 -5.004
315 H THR 38 H THR 38 3.394 0.937 -0.099
316 HA THR 38 HA THR 38 3.308 3.834 0.684
317 HB THR 38 HB THR 38 0.991 3.430 1.444
318 HG1 THR 38 1HG THR 38 0.852 1.157 -0.115
319 HG21 THR 38 1HG2 THR 38 1.515 2.700 -1.487
320 HG22 THR 38 2HG2 THR 38 1.406 4.341 -0.827
321 HG23 THR 38 3HG2 THR 38 -0.024 3.288 -0.816
322 H ASN 39 H ASN 39 4.757 1.171 1.732
323 HA ASN 39 HA ASN 39 5.490 0.349 3.693
324 HB2 ASN 39 2HB ASN 39 6.093 2.886 3.820
325 HB3 ASN 39 3HB ASN 39 4.864 2.955 5.075
326 HD21 ASN 39 1HD2 ASN 39 5.176 1.167 6.844
327 HD22 ASN 39 2HD2 ASN 39 6.852 0.939 7.367
328 H LEU 40 H LEU 40 2.945 -0.362 3.054
329 HA LEU 40 HA LEU 40 1.646 -0.866 5.713
330 HB2 LEU 40 2HB LEU 40 0.430 -0.646 2.932
331 HB3 LEU 40 3HB LEU 40 -0.460 -1.174 4.344
332 HG LEU 40 HG LEU 40 0.743 1.596 3.962
333 HD11 LEU 40 1HD1 LEU 40 -1.600 2.295 3.759
334 HD12 LEU 40 2HD1 LEU 40 -1.183 1.131 2.496
335 HD13 LEU 40 3HD1 LEU 40 -2.138 0.603 3.896
336 HD21 LEU 40 3HD2 LEU 40 -0.627 2.161 5.968
337 HD22 LEU 40 1HD2 LEU 40 -1.021 0.447 6.167
338 HD23 LEU 40 2HD2 LEU 40 0.657 1.009 6.345
339 H THR 41 H THR 41 0.133 -2.908 5.325
340 HA THR 41 HA THR 41 1.449 -5.032 3.736
341 HB THR 41 HB THR 41 2.247 -5.365 6.037
342 HG1 THR 41 1HG THR 41 1.671 -7.507 6.098
343 HG21 THR 41 1HG2 THR 41 0.693 -6.148 7.790
344 HG22 THR 41 2HG2 THR 41 -0.695 -5.762 6.752
345 HG23 THR 41 3HG2 THR 41 0.371 -4.467 7.350
346 H GLU 42 H GLU 42 -0.128 -6.901 3.400
347 HA GLU 42 HA GLU 42 -2.385 -5.774 2.113
348 HB2 GLU 42 2HB GLU 42 -3.010 -8.025 1.548
349 HB3 GLU 42 3HB GLU 42 -1.281 -7.823 1.399
350 HG2 GLU 42 2HG GLU 42 -0.798 -9.172 3.276
351 HG3 GLU 42 3HG GLU 42 -2.419 -9.024 3.939
352 H ALA 43 H ALA 43 -2.172 -7.032 5.354
353 HA ALA 43 HA ALA 43 -5.006 -7.269 5.858
354 HB1 ALA 43 1HB ALA 43 -4.295 -7.467 8.204
355 HB2 ALA 43 2HB ALA 43 -3.288 -8.477 7.151
356 HB3 ALA 43 3HB ALA 43 -2.656 -6.935 7.777
357 H ARG 44 H ARG 44 -2.677 -4.570 6.245
358 HA ARG 44 HA ARG 44 -4.459 -2.701 7.568
359 HB2 ARG 44 2HB ARG 44 -2.106 -2.279 5.652
360 HB3 ARG 44 3HB ARG 44 -2.974 -0.968 6.402
361 HG2 ARG 44 2HG ARG 44 -1.471 -3.103 7.966
362 HG3 ARG 44 3HG ARG 44 -0.865 -1.494 7.552
363 HD2 ARG 44 2HD ARG 44 -3.245 -0.794 8.678
364 HD3 ARG 44 3HD ARG 44 -2.963 -2.306 9.523
365 HE ARG 44 HE ARG 44 -0.935 -1.386 10.474
366 HH11 ARG 44 2HH1 ARG 44 -2.756 1.077 8.688
367 HH12 ARG 44 1HH1 ARG 44 -1.904 2.350 9.524
368 HH21 ARG 44 2HH2 ARG 44 0.068 0.401 11.428
369 HH22 ARG 44 1HH2 ARG 44 -0.462 2.003 10.957
370 H VAL 45 H VAL 45 -3.782 -3.367 4.154
371 HA VAL 45 HA VAL 45 -5.624 -1.434 3.099
372 HB VAL 45 HB VAL 45 -4.789 -4.020 1.737
373 HG11 VAL 45 1HG1 VAL 45 -5.575 -1.282 0.648
374 HG12 VAL 45 2HG1 VAL 45 -5.055 -2.671 -0.322
375 HG13 VAL 45 3HG1 VAL 45 -6.576 -2.748 0.574
376 HG21 VAL 45 3HG2 VAL 45 -2.948 -2.591 0.751
377 HG22 VAL 45 1HG2 VAL 45 -3.314 -1.366 1.983
378 HG23 VAL 45 2HG2 VAL 45 -2.731 -2.977 2.447
379 H ARG 46 H ARG 46 -6.052 -4.934 3.835
380 HA ARG 46 HA ARG 46 -8.793 -5.099 3.053
381 HB2 ARG 46 2HB ARG 46 -7.070 -6.952 3.703
382 HB3 ARG 46 3HB ARG 46 -7.599 -6.685 5.364
383 HG2 ARG 46 2HG ARG 46 -9.939 -7.222 4.682
384 HG3 ARG 46 3HG ARG 46 -9.399 -7.386 2.998
385 HD2 ARG 46 2HD ARG 46 -7.791 -9.194 3.796
386 HD3 ARG 46 3HD ARG 46 -8.599 -9.141 5.359
387 HE ARG 46 HE ARG 46 -9.706 -10.050 2.743
388 HH11 ARG 46 2HH1 ARG 46 -10.352 -9.695 6.176
389 HH12 ARG 46 1HH1 ARG 46 -11.741 -10.743 6.111
390 HH21 ARG 46 2HH2 ARG 46 -11.483 -11.390 2.748
391 HH22 ARG 46 1HH2 ARG 46 -12.360 -11.666 4.223
392 H VAL 47 H VAL 47 -7.404 -4.310 6.241
393 HA VAL 47 HA VAL 47 -9.872 -3.830 7.617
394 HB VAL 47 HB VAL 47 -7.023 -2.880 8.070
395 HG11 VAL 47 1HG1 VAL 47 -9.420 -2.425 9.897
396 HG12 VAL 47 2HG1 VAL 47 -7.718 -2.219 10.360
397 HG13 VAL 47 3HG1 VAL 47 -8.415 -1.168 9.131
398 HG21 VAL 47 3HG2 VAL 47 -7.583 -5.315 8.414
399 HG22 VAL 47 1HG2 VAL 47 -7.076 -4.497 9.894
400 HG23 VAL 47 2HG2 VAL 47 -8.802 -4.830 9.605
401 H TRP 48 H TRP 48 -7.764 -1.546 5.769
402 HA TRP 48 HA TRP 48 -9.354 0.750 6.359
403 HB2 TRP 48 2HB TRP 48 -7.010 0.743 5.478
404 HB3 TRP 48 3HB TRP 48 -7.651 0.261 3.906
405 HD1 TRP 48 1HD TRP 48 -7.221 3.208 6.214
406 HE1 TRP 48 1HE TRP 48 -7.983 5.380 5.084
407 HE3 TRP 48 3HE TRP 48 -9.497 1.235 2.067
408 HZ2 TRP 48 2HZ TRP 48 -9.322 6.166 2.656
409 HZ3 TRP 48 3HZ TRP 48 -10.595 2.707 0.412
410 HH2 TRP 48 2HH TRP 48 -10.554 5.162 0.712
411 H PHE 49 H PHE 49 -9.446 -1.430 3.472
412 HA PHE 49 HA PHE 49 -11.646 -0.060 2.221
413 HB2 PHE 49 2HB PHE 49 -10.366 -2.780 1.901
414 HB3 PHE 49 3HB PHE 49 -11.877 -2.419 1.099
415 HD1 PHE 49 2HD PHE 49 -8.435 -0.817 1.473
416 HD2 PHE 49 1HD PHE 49 -11.820 -1.604 -1.087
417 HE1 PHE 49 2HE PHE 49 -7.251 0.233 -0.423
418 HE2 PHE 49 1HE PHE 49 -10.603 -0.593 -2.970
419 HZ PHE 49 HZ PHE 49 -8.338 0.356 -2.652
420 H LYS 50 H LYS 50 -11.575 -2.595 4.723
421 HA LYS 50 HA LYS 50 -14.458 -2.990 4.778
422 HB2 LYS 50 2HB LYS 50 -12.776 -4.601 5.661
423 HB3 LYS 50 3HB LYS 50 -12.404 -3.475 6.975
424 HG2 LYS 50 2HG LYS 50 -14.747 -3.659 7.793
425 HG3 LYS 50 3HG LYS 50 -15.154 -4.666 6.403
426 HD2 LYS 50 2HD LYS 50 -14.882 -6.124 8.288
427 HD3 LYS 50 3HD LYS 50 -13.559 -6.396 7.160
428 HE2 LYS 50 2HE LYS 50 -12.577 -6.423 9.306
429 HE3 LYS 50 3HE LYS 50 -12.116 -4.878 8.586
430 HZ1 LYS 50 3HZ LYS 50 -13.893 -3.827 9.920
431 HZ2 LYS 50 1HZ LYS 50 -12.866 -4.633 10.900
432 HZ3 LYS 50 2HZ LYS 50 -14.321 -5.273 10.550
433 H ASN 51 H ASN 51 -12.286 -0.775 6.566
434 HA ASN 51 HA ASN 51 -14.419 0.511 8.057
435 HB2 ASN 51 2HB ASN 51 -11.547 1.222 7.396
436 HB3 ASN 51 3HB ASN 51 -12.627 2.433 8.078
437 HD21 ASN 51 1HD2 ASN 51 -11.171 -0.753 8.704
438 HD22 ASN 51 2HD2 ASN 51 -11.363 -0.624 10.453
439 H ARG 52 H ARG 52 -13.095 1.087 4.774
440 HA ARG 52 HA ARG 52 -14.697 3.399 4.268
441 HB2 ARG 52 2HB ARG 52 -12.678 2.372 2.915
442 HB3 ARG 52 3HB ARG 52 -13.920 1.413 2.113
443 HG2 ARG 52 2HG ARG 52 -13.438 3.333 0.764
444 HG3 ARG 52 3HG ARG 52 -15.066 3.540 1.419
445 HD2 ARG 52 2HD ARG 52 -14.200 5.120 3.115
446 HD3 ARG 52 3HD ARG 52 -12.544 4.800 2.576
447 HE ARG 52 HE ARG 52 -14.464 5.855 0.574
448 HH11 ARG 52 2HH2 ARG 52 -11.800 6.739 2.730
449 HH12 ARG 52 1HH2 ARG 52 -11.494 8.195 1.770
450 HH21 ARG 52 2HH1 ARG 52 -13.935 7.823 -0.457
451 HH22 ARG 52 1HH1 ARG 52 -12.554 8.721 0.178
452 H ARG 53 H ARG 53 -15.486 -0.073 3.780
453 HA ARG 53 HA ARG 53 -18.178 0.320 2.883
454 HB2 ARG 53 2HB ARG 53 -16.631 -1.911 4.196
455 HB3 ARG 53 3HB ARG 53 -18.379 -1.958 4.365
456 HG2 ARG 53 2HG ARG 53 -17.789 -3.244 2.467
457 HG3 ARG 53 3HG ARG 53 -18.652 -1.794 1.929
458 HD2 ARG 53 2HD ARG 53 -16.467 -0.761 1.310
459 HD3 ARG 53 3HD ARG 53 -15.652 -2.257 1.827
460 HE ARG 53 HE ARG 53 -17.718 -2.881 -0.057
461 HH11 ARG 53 2HH2 ARG 53 -14.511 -1.446 -0.056
462 HH12 ARG 53 1HH2 ARG 53 -14.243 -1.946 -1.728
463 HH21 ARG 53 2HH1 ARG 53 -17.238 -3.444 -2.173
464 HH22 ARG 53 1HH1 ARG 53 -15.675 -2.981 -2.825
465 H ALA 54 H ALA 54 -16.890 0.175 6.230
466 HA ALA 54 HA ALA 54 -19.440 0.469 7.489
467 HB1 ALA 54 1HB ALA 54 -17.377 -0.294 8.632
468 HB2 ALA 54 2HB ALA 54 -16.708 1.348 8.515
469 HB3 ALA 54 3HB ALA 54 -18.164 1.051 9.482
470 H LYS 55 H LYS 55 -17.084 2.972 6.439
471 HA LYS 55 HA LYS 55 -18.649 5.236 7.327
472 HB2 LYS 55 2HB LYS 55 -16.384 4.926 5.312
473 HB3 LYS 55 3HB LYS 55 -17.121 6.487 5.702
474 HG2 LYS 55 2HG LYS 55 -16.533 6.258 8.061
475 HG3 LYS 55 3HG LYS 55 -15.859 4.647 7.785
476 HD2 LYS 55 2HD LYS 55 -14.142 5.608 6.277
477 HD3 LYS 55 3HD LYS 55 -14.820 7.231 6.543
478 HE2 LYS 55 2HE LYS 55 -14.385 6.990 8.989
479 HE3 LYS 55 3HE LYS 55 -13.676 5.397 8.702
480 HZ1 LYS 55 3HZ LYS 55 -11.962 6.485 7.343
481 HZ2 LYS 55 1HZ LYS 55 -11.970 7.119 8.846
482 HZ3 LYS 55 2HZ LYS 55 -12.625 7.957 7.611
483 H TRP 56 H TRP 56 -18.618 3.441 4.231
484 HA TRP 56 HA TRP 56 -20.540 5.107 2.887
485 HB2 TRP 56 2HB TRP 56 -19.440 3.602 1.501
486 HB3 TRP 56 3HB TRP 56 -19.555 2.282 2.652
487 HD1 TRP 56 1HD TRP 56 -22.180 4.362 0.708
488 HE1 TRP 56 1HE TRP 56 -24.013 2.781 -0.162
489 HE3 TRP 56 3HE TRP 56 -20.377 -0.042 2.538
490 HZ2 TRP 56 2HZ TRP 56 -24.658 -0.029 -0.003
491 HZ3 TRP 56 3HZ TRP 56 -21.640 -2.162 2.212
492 HH2 TRP 56 2HH TRP 56 -23.774 -2.167 0.940
493 H ARG 57 H ARG 57 -21.015 2.159 4.886
494 HA ARG 57 HA ARG 57 -23.858 2.161 4.848
495 HB2 ARG 57 2HB ARG 57 -21.819 1.041 6.803
496 HB3 ARG 57 3HB ARG 57 -23.557 0.780 7.010
497 HG2 ARG 57 2HG ARG 57 -23.731 -0.367 4.876
498 HG3 ARG 57 3HG ARG 57 -22.079 0.072 4.456
499 HD2 ARG 57 2HD ARG 57 -22.060 -2.218 5.131
500 HD3 ARG 57 3HD ARG 57 -21.221 -1.255 6.362
501 HE ARG 57 HE ARG 57 -23.994 -1.551 7.066
502 HH11 ARG 57 2HH1 ARG 57 -21.094 -3.515 6.975
503 HH12 ARG 57 1HH1 ARG 57 -21.659 -4.567 8.244
504 HH21 ARG 57 2HH2 ARG 57 -24.649 -2.927 8.684
505 HH22 ARG 57 1HH2 ARG 57 -23.621 -4.239 9.177
506 H LYS 58 H LYS 58 -21.769 4.179 6.806
507 HA LYS 58 HA LYS 58 -23.877 5.153 8.587
508 HB2 LYS 58 2HB LYS 58 -21.060 5.992 7.921
509 HB3 LYS 58 3HB LYS 58 -22.138 7.238 8.519
510 HG2 LYS 58 2HG LYS 58 -21.052 6.426 10.415
511 HG3 LYS 58 3HG LYS 58 -22.699 5.795 10.493
512 HD2 LYS 58 2HD LYS 58 -21.845 3.580 9.642
513 HD3 LYS 58 3HD LYS 58 -20.224 4.290 9.557
514 HE2 LYS 58 2HE LYS 58 -20.308 2.992 11.541
515 HE3 LYS 58 3HE LYS 58 -20.246 4.696 11.993
516 HZ1 LYS 58 3HZ LYS 58 -22.716 3.031 11.956
517 HZ2 LYS 58 1HZ LYS 58 -22.650 4.600 12.416
518 HZ3 LYS 58 2HZ LYS 58 -21.895 3.458 13.297
519 H ARG 59 H ARG 59 -23.244 5.797 5.245
520 HA ARG 59 HA ARG 59 -25.097 8.165 5.294
521 HB2 ARG 59 2HB ARG 59 -22.954 7.554 3.242
522 HB3 ARG 59 3HB ARG 59 -23.955 8.997 3.347
523 HG2 ARG 59 2HG ARG 59 -21.677 8.165 5.161
524 HG3 ARG 59 3HG ARG 59 -21.772 9.560 4.099
525 HD2 ARG 59 2HD ARG 59 -23.171 9.133 6.752
526 HD3 ARG 59 3HD ARG 59 -21.960 10.323 6.349
527 HE ARG 59 HE ARG 59 -23.611 11.442 4.879
528 HH11 ARG 59 2HH1 ARG 59 -25.013 9.298 7.325
529 HH12 ARG 59 1HH1 ARG 59 -26.450 10.277 7.433
530 HH21 ARG 59 2HH2 ARG 59 -25.508 12.552 5.048
531 HH22 ARG 59 1HH2 ARG 59 -26.738 12.024 6.157
532 H GLU 60 H GLU 60 -24.562 5.063 3.812
533 HA GLU 60 HA GLU 60 -25.772 3.777 2.403
534 HB2 GLU 60 2HB GLU 60 -28.151 5.230 3.602
535 HB3 GLU 60 3HB GLU 60 -28.192 3.699 2.715
536 HG2 GLU 60 2HG GLU 60 -26.645 2.707 4.416
537 HG3 GLU 60 3HG GLU 60 -26.772 4.204 5.352
538 H GLU 61 H GLU 61 -24.588 5.699 0.995
539 HA GLU 61 HA GLU 61 -26.420 7.159 -0.722
540 HB2 GLU 61 2HB GLU 61 -23.415 6.741 -0.908
541 HB3 GLU 61 3HB GLU 61 -24.353 7.870 -1.896
542 HG2 GLU 61 2HG GLU 61 -25.122 9.022 0.193
543 HG3 GLU 61 3HG GLU 61 -24.047 7.978 1.125
544 H PHE 62 H PHE 62 -25.890 3.942 -0.839
545 HA PHE 62 HA PHE 62 -25.749 3.693 -3.806
546 HB2 PHE 62 2HB PHE 62 -24.135 2.365 -2.583
547 HB3 PHE 62 3HB PHE 62 -25.411 1.659 -1.592
548 HD1 PHE 62 2HD PHE 62 -24.346 1.994 -5.194
549 HD2 PHE 62 1HD PHE 62 -26.371 -0.399 -2.227
550 HE1 PHE 62 2HE PHE 62 -24.660 0.180 -6.863
551 HE2 PHE 62 1HE PHE 62 -26.655 -2.217 -3.888
552 HZ PHE 62 HZ PHE 62 -25.815 -1.925 -6.215
553 H ILE 63 H ILE 63 -27.317 2.736 -5.003
554 HA ILE 63 HA ILE 63 -29.874 1.851 -3.769
555 HB ILE 63 HB ILE 63 -29.573 3.857 -6.035
556 HG12 ILE 63 2HG1 ILE 63 -29.355 4.922 -3.823
557 HG13 ILE 63 3HG1 ILE 63 -30.772 5.445 -4.702
558 HG21 ILE 63 1HG2 ILE 63 -32.081 2.461 -5.019
559 HG22 ILE 63 2HG2 ILE 63 -32.088 3.907 -6.051
560 HG23 ILE 63 3HG2 ILE 63 -31.389 2.409 -6.654
561 HD11 ILE 63 3HD1 ILE 63 -30.838 3.414 -2.426
562 HD12 ILE 63 1HD1 ILE 63 -32.241 4.088 -3.282
563 HD13 ILE 63 2HD1 ILE 63 -31.219 5.138 -2.293
564 H VAL 64 H VAL 64 -30.656 0.039 -4.687
565 HA VAL 64 HA VAL 64 -29.192 -1.252 -6.905
566 HB VAL 64 HB VAL 64 -31.558 -2.228 -5.265
567 HG11 VAL 64 1HG1 VAL 64 -31.504 -3.393 -7.419
568 HG12 VAL 64 2HG1 VAL 64 -29.757 -3.698 -7.246
569 HG13 VAL 64 3HG1 VAL 64 -30.924 -4.473 -6.156
570 HG21 VAL 64 3HG2 VAL 64 -29.894 -3.685 -4.155
571 HG22 VAL 64 1HG2 VAL 64 -28.593 -2.938 -5.107
572 HG23 VAL 64 2HG2 VAL 64 -29.488 -1.986 -3.902
573 H THR 65 H THR 65 -29.802 -1.188 -8.975
574 HA THR 65 HA THR 65 -32.447 -0.019 -9.701
575 HB THR 65 HB THR 65 -31.348 0.582 -11.842
576 HG1 THR 65 1HG THR 65 -29.689 -0.857 -12.015
577 HG21 THR 65 1HG2 THR 65 -31.380 2.164 -9.920
578 HG22 THR 65 2HG2 THR 65 -29.955 2.370 -10.959
579 HG23 THR 65 3HG2 THR 65 -29.802 1.536 -9.396
580 H ASP 66 H ASP 66 -31.028 -3.003 -9.608
581 HA ASP 66 HA ASP 66 -31.995 -4.210 -12.068
582 HB2 ASP 66 2HB ASP 66 -31.055 -5.412 -9.438
583 HB3 ASP 66 3HB ASP 66 -31.481 -6.349 -10.863
Start of MODEL 11
1 H1 GLY -1 1H GLY -1 9.106 -8.062 20.076
2 H2 GLY -1 2H GLY -1 8.682 -7.021 21.268
3 H3 GLY -1 3H GLY -1 10.260 -7.219 20.879
4 HA2 GLY -1 2HA GLY -1 9.918 -6.258 18.703
5 HA3 GLY -1 3HA GLY -1 8.202 -6.063 19.107
6 H SER 0 H SER 0 10.122 -3.986 18.353
7 HA SER 0 HA SER 0 10.823 -2.455 20.728
8 HB2 SER 0 2HB SER 0 11.523 -0.748 19.042
9 HB3 SER 0 3HB SER 0 12.270 -2.341 18.842
10 HG SER 0 HG SER 0 11.577 -1.627 16.837
11 H GLN 1 H GLN 1 10.107 -0.280 21.159
12 HA GLN 1 HA GLN 1 7.188 -0.058 21.117
13 HB2 GLN 1 2HB GLN 1 9.348 1.690 22.353
14 HB3 GLN 1 3HB GLN 1 7.607 1.934 22.551
15 HG2 GLN 1 2HG GLN 1 7.401 -0.322 23.579
16 HG3 GLN 1 3HG GLN 1 9.145 -0.548 23.437
17 HE21 GLN 1 2HE2 GLN 1 8.406 -0.891 25.926
18 HE22 GLN 1 1HE2 GLN 1 8.679 0.544 26.906
19 H ARG 2 H ARG 2 6.013 1.750 20.427
20 HA ARG 2 HA ARG 2 5.218 3.315 19.015
21 HB2 ARG 2 2HB ARG 2 8.057 4.380 18.988
22 HB3 ARG 2 3HB ARG 2 6.614 5.241 18.458
23 HG2 ARG 2 2HG ARG 2 5.662 5.098 20.748
24 HG3 ARG 2 3HG ARG 2 7.103 4.232 21.295
25 HD2 ARG 2 2HD ARG 2 7.351 6.527 21.950
26 HD3 ARG 2 3HD ARG 2 8.517 6.174 20.685
27 HE ARG 2 HE ARG 2 7.455 7.660 19.248
28 HH11 ARG 2 2HH1 ARG 2 5.353 7.263 22.029
29 HH12 ARG 2 1HH1 ARG 2 4.334 8.595 21.556
30 HH21 ARG 2 2HH2 ARG 2 6.113 9.338 18.710
31 HH22 ARG 2 1HH2 ARG 2 4.759 9.733 19.727
32 H ARG 3 H ARG 3 7.698 1.370 17.576
33 HA ARG 3 HA ARG 3 7.519 2.274 14.863
34 HB2 ARG 3 2HB ARG 3 8.188 -0.429 16.082
35 HB3 ARG 3 3HB ARG 3 8.102 -0.194 14.347
36 HG2 ARG 3 2HG ARG 3 10.397 -0.041 14.992
37 HG3 ARG 3 3HG ARG 3 9.861 1.555 14.447
38 HD2 ARG 3 2HD ARG 3 9.661 2.323 16.751
39 HD3 ARG 3 3HD ARG 3 9.993 0.680 17.352
40 HE ARG 3 HE ARG 3 12.189 1.557 15.758
41 HH11 ARG 3 2HH1 ARG 3 10.711 2.247 18.863
42 HH12 ARG 3 1HH1 ARG 3 12.220 2.786 19.567
43 HH21 ARG 3 2HH2 ARG 3 14.086 2.252 16.723
44 HH22 ARG 3 1HH2 ARG 3 14.080 2.777 18.380
45 H GLN 4 H GLN 4 6.054 2.114 13.344
46 HA GLN 4 HA GLN 4 4.078 1.822 12.291
47 HB2 GLN 4 2HB GLN 4 4.872 -1.033 12.924
48 HB3 GLN 4 3HB GLN 4 3.483 -0.650 11.921
49 HG2 GLN 4 2HG GLN 4 5.282 -1.080 10.450
50 HG3 GLN 4 3HG GLN 4 4.898 0.631 10.355
51 HE21 GLN 4 2HE2 GLN 4 6.673 2.042 10.508
52 HE22 GLN 4 1HE2 GLN 4 8.237 1.552 11.138
53 H ARG 5 H ARG 5 3.804 2.024 15.411
54 HA ARG 5 HA ARG 5 1.266 0.755 15.990
55 HB2 ARG 5 2HB ARG 5 2.559 3.155 17.357
56 HB3 ARG 5 3HB ARG 5 1.224 2.197 17.986
57 HG2 ARG 5 2HG ARG 5 4.102 1.319 17.636
58 HG3 ARG 5 3HG ARG 5 3.195 1.537 19.129
59 HD2 ARG 5 2HD ARG 5 1.655 -0.350 18.259
60 HD3 ARG 5 3HD ARG 5 2.911 -0.677 17.061
61 HE ARG 5 HE ARG 5 2.922 -1.327 19.888
62 HH11 ARG 5 2HH1 ARG 5 5.209 -0.739 17.234
63 HH12 ARG 5 1HH1 ARG 5 6.512 -1.434 18.191
64 HH21 ARG 5 2HH2 ARG 5 4.676 -2.263 20.894
65 HH22 ARG 5 1HH2 ARG 5 6.227 -2.248 20.077
66 H THR 6 H THR 6 1.989 3.804 14.451
67 HA THR 6 HA THR 6 -0.637 4.982 14.508
68 HB THR 6 HB THR 6 1.569 5.140 12.411
69 HG1 THR 6 1HG THR 6 2.055 7.055 13.495
70 HG21 THR 6 1HG2 THR 6 -0.493 5.940 11.391
71 HG22 THR 6 2HG2 THR 6 0.509 7.329 11.803
72 HG23 THR 6 3HG2 THR 6 -0.881 6.912 12.832
73 H HIS 7 H HIS 7 -2.482 4.434 13.417
74 HA HIS 7 HA HIS 7 -2.674 1.968 11.980
75 HB2 HIS 7 2HB HIS 7 -4.655 4.274 12.103
76 HB3 HIS 7 3HB HIS 7 -5.000 2.624 11.585
77 HD2 HIS 7 2HD HIS 7 -5.055 0.694 13.506
78 HE1 HIS 7 1HE HIS 7 -5.016 3.329 16.863
79 HE2 HIS 7 2HE HIS 7 -5.374 0.921 16.115
80 H PHE 8 H PHE 8 -2.994 5.340 10.768
81 HA PHE 8 HA PHE 8 -1.649 4.613 8.273
82 HB2 PHE 8 2HB PHE 8 -4.379 5.944 8.250
83 HB3 PHE 8 3HB PHE 8 -3.335 5.617 6.868
84 HD1 PHE 8 2HD PHE 8 -3.016 3.296 6.035
85 HD2 PHE 8 1HD PHE 8 -5.766 4.205 9.228
86 HE1 PHE 8 2HE PHE 8 -4.054 1.046 5.788
87 HE2 PHE 8 1HE PHE 8 -6.769 1.940 9.016
88 HZ PHE 8 HZ PHE 8 -5.894 0.353 7.325
89 H THR 9 H THR 9 -0.974 6.476 7.044
90 HA THR 9 HA THR 9 -0.814 9.040 8.575
91 HB THR 9 HB THR 9 1.090 9.638 7.405
92 HG1 THR 9 1HG THR 9 1.832 8.466 5.596
93 HG21 THR 9 1HG2 THR 9 1.519 7.740 8.989
94 HG22 THR 9 2HG2 THR 9 2.694 7.846 7.659
95 HG23 THR 9 3HG2 THR 9 1.408 6.623 7.613
96 H SER 10 H SER 10 -1.100 11.064 7.439
97 HA SER 10 HA SER 10 -3.323 11.216 5.697
98 HB2 SER 10 2HB SER 10 -1.151 13.300 5.978
99 HB3 SER 10 3HB SER 10 -2.857 13.531 5.526
100 HG SER 10 HG SER 10 -2.471 14.049 7.735
101 H GLN 11 H GLN 11 -0.145 10.269 4.820
102 HA GLN 11 HA GLN 11 -0.545 10.983 1.961
103 HB2 GLN 11 2HB GLN 11 1.677 11.288 3.087
104 HB3 GLN 11 3HB GLN 11 1.777 9.528 3.278
105 HG2 GLN 11 2HG GLN 11 1.631 9.269 0.801
106 HG3 GLN 11 3HG GLN 11 1.483 11.020 0.630
107 HE21 GLN 11 1HE2 GLN 11 3.443 10.191 -0.864
108 HE22 GLN 11 2HE2 GLN 11 5.014 10.375 -0.095
109 H GLN 12 H GLN 12 -0.386 8.089 4.116
110 HA GLN 12 HA GLN 12 -0.652 6.110 2.040
111 HB2 GLN 12 2HB GLN 12 -1.392 6.101 4.994
112 HB3 GLN 12 3HB GLN 12 -1.438 4.665 3.956
113 HG2 GLN 12 2HG GLN 12 0.904 4.785 3.495
114 HG3 GLN 12 3HG GLN 12 1.084 6.291 4.388
115 HE21 GLN 12 2HE2 GLN 12 2.334 3.629 4.812
116 HE22 GLN 12 1HE2 GLN 12 1.980 3.226 6.487
117 H LEU 13 H LEU 13 -3.038 7.768 4.094
118 HA LEU 13 HA LEU 13 -5.408 6.469 3.270
119 HB2 LEU 13 2HB LEU 13 -4.875 9.336 4.140
120 HB3 LEU 13 3HB LEU 13 -6.484 8.625 4.015
121 HG LEU 13 HG LEU 13 -4.319 7.434 5.818
122 HD11 LEU 13 1HD1 LEU 13 -4.726 9.751 6.500
123 HD12 LEU 13 2HD1 LEU 13 -6.477 9.430 6.575
124 HD13 LEU 13 3HD1 LEU 13 -5.348 8.597 7.681
125 HD21 LEU 13 3HD2 LEU 13 -6.040 5.878 5.349
126 HD22 LEU 13 1HD2 LEU 13 -6.281 6.478 6.990
127 HD23 LEU 13 2HD2 LEU 13 -7.318 7.096 5.687
128 H GLN 14 H GLN 14 -3.602 9.009 1.615
129 HA GLN 14 HA GLN 14 -5.720 9.650 -0.286
130 HB2 GLN 14 2HB GLN 14 -2.748 10.275 -0.310
131 HB3 GLN 14 3HB GLN 14 -3.898 10.849 -1.516
132 HG2 GLN 14 2HG GLN 14 -3.990 11.438 1.461
133 HG3 GLN 14 3HG GLN 14 -3.454 12.561 0.215
134 HE21 GLN 14 2HE2 GLN 14 -5.870 12.336 2.244
135 HE22 GLN 14 1HE2 GLN 14 -7.255 12.709 1.227
136 H GLU 15 H GLU 15 -2.894 7.451 -0.340
137 HA GLU 15 HA GLU 15 -3.356 6.632 -3.105
138 HB2 GLU 15 2HB GLU 15 -1.821 5.174 -0.930
139 HB3 GLU 15 3HB GLU 15 -1.721 4.900 -2.667
140 HG2 GLU 15 2HG GLU 15 -0.766 7.314 -1.095
141 HG3 GLU 15 3HG GLU 15 0.212 6.158 -1.968
142 H LEU 16 H LEU 16 -4.472 5.478 0.049
143 HA LEU 16 HA LEU 16 -5.771 3.085 -0.891
144 HB2 LEU 16 2HB LEU 16 -6.105 4.873 1.541
145 HB3 LEU 16 3HB LEU 16 -7.044 3.408 1.302
146 HG LEU 16 HG LEU 16 -4.014 3.271 1.173
147 HD11 LEU 16 1HD1 LEU 16 -3.957 2.749 3.551
148 HD12 LEU 16 2HD1 LEU 16 -4.559 4.394 3.288
149 HD13 LEU 16 3HD1 LEU 16 -5.691 3.086 3.689
150 HD21 LEU 16 3HD2 LEU 16 -4.439 0.971 1.951
151 HD22 LEU 16 1HD2 LEU 16 -6.186 1.292 1.981
152 HD23 LEU 16 2HD2 LEU 16 -5.300 1.310 0.439
153 H GLU 17 H GLU 17 -7.153 6.386 -0.185
154 HA GLU 17 HA GLU 17 -9.676 5.614 -1.325
155 HB2 GLU 17 2HB GLU 17 -10.448 7.774 -1.027
156 HB3 GLU 17 3HB GLU 17 -9.375 7.465 0.334
157 HG2 GLU 17 2HG GLU 17 -7.609 8.808 -0.763
158 HG3 GLU 17 3HG GLU 17 -8.649 9.081 -2.155
159 H ALA 18 H ALA 18 -6.796 6.831 -2.926
160 HA ALA 18 HA ALA 18 -8.157 7.388 -5.432
161 HB1 ALA 18 1HB ALA 18 -6.022 8.447 -4.869
162 HB2 ALA 18 2HB ALA 18 -5.219 6.859 -4.818
163 HB3 ALA 18 3HB ALA 18 -5.868 7.484 -6.349
164 H THR 19 H THR 19 -6.230 4.541 -4.248
165 HA THR 19 HA THR 19 -6.683 3.086 -6.682
166 HB THR 19 HB THR 19 -4.823 2.778 -4.964
167 HG1 THR 19 1HG THR 19 -5.992 0.389 -5.871
168 HG21 THR 19 1HG2 THR 19 -6.487 2.143 -3.065
169 HG22 THR 19 2HG2 THR 19 -5.035 1.181 -3.263
170 HG23 THR 19 3HG2 THR 19 -6.589 0.565 -3.885
171 H PHE 20 H PHE 20 -8.572 3.364 -3.751
172 HA PHE 20 HA PHE 20 -10.460 1.282 -4.108
173 HB2 PHE 20 2HB PHE 20 -10.276 2.553 -2.078
174 HB3 PHE 20 3HB PHE 20 -10.600 4.059 -2.919
175 HD1 PHE 20 2HD PHE 20 -12.503 0.781 -2.968
176 HD2 PHE 20 1HD PHE 20 -12.497 4.967 -1.937
177 HE1 PHE 20 2HE PHE 20 -14.882 0.619 -2.302
178 HE2 PHE 20 1HE PHE 20 -14.885 4.804 -1.288
179 HZ PHE 20 HZ PHE 20 -16.081 2.630 -1.462
180 H GLN 21 H GLN 21 -10.147 4.360 -5.895
181 HA GLN 21 HA GLN 21 -12.826 4.245 -6.985
182 HB2 GLN 21 2HB GLN 21 -10.383 5.658 -8.119
183 HB3 GLN 21 3HB GLN 21 -12.067 5.978 -8.541
184 HG2 GLN 21 2HG GLN 21 -10.574 6.653 -6.014
185 HG3 GLN 21 3HG GLN 21 -11.384 7.746 -7.115
186 HE21 GLN 21 2HE2 GLN 21 -11.636 6.592 -4.087
187 HE22 GLN 21 1HE2 GLN 21 -13.399 6.571 -3.915
188 H ARG 22 H ARG 22 -9.690 3.062 -8.123
189 HA ARG 22 HA ARG 22 -10.839 2.046 -10.663
190 HB2 ARG 22 2HB ARG 22 -8.562 1.367 -11.210
191 HB3 ARG 22 3HB ARG 22 -8.649 3.079 -10.780
192 HG2 ARG 22 2HG ARG 22 -7.746 2.601 -8.554
193 HG3 ARG 22 3HG ARG 22 -7.725 0.858 -8.897
194 HD2 ARG 22 2HD ARG 22 -6.097 1.257 -10.720
195 HD3 ARG 22 3HD ARG 22 -6.099 2.993 -10.323
196 HE ARG 22 HE ARG 22 -5.548 1.444 -7.962
197 HH11 ARG 22 2HH2 ARG 22 -3.847 2.396 -10.876
198 HH12 ARG 22 1HH2 ARG 22 -2.296 2.279 -10.090
199 HH21 ARG 22 2HH1 ARG 22 -3.662 1.334 -7.050
200 HH22 ARG 22 1HH1 ARG 22 -2.182 1.667 -7.936
201 H ASN 23 H ASN 23 -10.041 0.785 -7.511
202 HA ASN 23 HA ASN 23 -11.076 -1.882 -8.358
203 HB2 ASN 23 2HB ASN 23 -8.553 -1.859 -8.237
204 HB3 ASN 23 3HB ASN 23 -8.669 -1.419 -6.535
205 HD21 ASN 23 1HD2 ASN 23 -7.328 -3.721 -7.159
206 HD22 ASN 23 2HD2 ASN 23 -8.313 -5.121 -6.764
207 H HIS 24 H HIS 24 -13.025 -1.889 -7.347
208 HA HIS 24 HA HIS 24 -13.355 -0.771 -4.631
209 HB2 HIS 24 2HB HIS 24 -15.280 -1.931 -6.668
210 HB3 HIS 24 3HB HIS 24 -15.763 -1.475 -5.042
211 HD2 HIS 24 2HD HIS 24 -13.897 0.383 -7.982
212 HE1 HIS 24 1HE HIS 24 -16.624 3.109 -6.177
213 HE2 HIS 24 2HE HIS 24 -14.900 2.795 -8.037
214 H TYR 25 H TYR 25 -12.151 -3.679 -5.662
215 HA TYR 25 HA TYR 25 -12.940 -5.148 -3.237
216 HB2 TYR 25 2HB TYR 25 -13.742 -7.094 -4.661
217 HB3 TYR 25 3HB TYR 25 -14.793 -5.710 -4.557
218 HD1 TYR 25 1HD TYR 25 -15.328 -4.311 -6.453
219 HD2 TYR 25 2HD TYR 25 -12.639 -7.658 -6.861
220 HE1 TYR 25 1HE TYR 25 -15.489 -4.143 -8.935
221 HE2 TYR 25 2HE TYR 25 -12.808 -7.495 -9.333
222 HH TYR 25 HH TYR 25 -13.721 -6.377 -11.112
223 HA PRO 26 HA PRO 26 -8.663 -6.098 -4.893
224 HB2 PRO 26 2HB PRO 26 -7.049 -5.124 -2.956
225 HB3 PRO 26 3HB PRO 26 -7.724 -4.094 -4.238
226 HG2 PRO 26 2HG PRO 26 -8.817 -4.525 -1.443
227 HG3 PRO 26 3HG PRO 26 -8.475 -2.963 -2.254
228 HD2 PRO 26 2HD PRO 26 -10.990 -4.035 -2.257
229 HD3 PRO 26 3HD PRO 26 -10.347 -3.185 -3.695
230 H ASP 27 H ASP 27 -7.229 -7.638 -4.148
231 HA ASP 27 HA ASP 27 -8.253 -9.536 -2.065
232 HB2 ASP 27 2HB ASP 27 -8.776 -10.120 -4.478
233 HB3 ASP 27 3HB ASP 27 -7.042 -10.215 -4.769
234 H MET 28 H MET 28 -6.371 -11.300 -1.724
235 HA MET 28 HA MET 28 -4.280 -10.063 -0.345
236 HB2 MET 28 2HB MET 28 -3.164 -12.200 -0.284
237 HB3 MET 28 3HB MET 28 -4.896 -12.424 -0.058
238 HG2 MET 28 2HG MET 28 -5.169 -13.261 -2.304
239 HG3 MET 28 3HG MET 28 -3.545 -12.796 -2.768
240 HE1 MET 28 3HE MET 28 -1.157 -15.349 -1.427
241 HE2 MET 28 1HE MET 28 -1.469 -13.980 -2.521
242 HE3 MET 28 2HE MET 28 -1.476 -13.733 -0.763
243 H SER 29 H SER 29 -4.312 -10.735 -3.823
244 HA SER 29 HA SER 29 -1.453 -10.193 -4.143
245 HB2 SER 29 2HB SER 29 -3.630 -10.484 -6.245
246 HB3 SER 29 3HB SER 29 -1.879 -10.451 -6.535
247 HG SER 29 HG SER 29 -2.698 -12.597 -6.427
248 H THR 30 H THR 30 -4.522 -8.426 -4.850
249 HA THR 30 HA THR 30 -3.106 -6.130 -5.965
250 HB THR 30 HB THR 30 -5.582 -5.174 -5.749
251 HG1 THR 30 1HG THR 30 -6.523 -7.558 -6.391
252 HG21 THR 30 1HG2 THR 30 -6.050 -6.147 -7.979
253 HG22 THR 30 2HG2 THR 30 -4.721 -7.311 -7.751
254 HG23 THR 30 3HG2 THR 30 -4.381 -5.571 -7.865
255 H ARG 31 H ARG 31 -4.693 -6.830 -2.834
256 HA ARG 31 HA ARG 31 -4.282 -4.299 -1.590
257 HB2 ARG 31 2HB ARG 31 -4.041 -7.135 -0.495
258 HB3 ARG 31 3HB ARG 31 -4.059 -5.702 0.529
259 HG2 ARG 31 2HG ARG 31 -6.360 -5.194 -0.057
260 HG3 ARG 31 3HG ARG 31 -6.351 -6.427 -1.324
261 HD2 ARG 31 2HD ARG 31 -5.732 -8.097 0.527
262 HD3 ARG 31 3HD ARG 31 -6.276 -6.856 1.672
263 HE ARG 31 HE ARG 31 -8.355 -7.093 -0.168
264 HH11 ARG 31 2HH1 ARG 31 -6.673 -9.530 1.755
265 HH12 ARG 31 1HH1 ARG 31 -8.041 -10.616 1.661
266 HH21 ARG 31 2HH2 ARG 31 -9.936 -8.527 -0.318
267 HH22 ARG 31 1HH2 ARG 31 -9.894 -10.032 0.570
268 H GLU 32 H GLU 32 -1.998 -7.086 -1.857
269 HA GLU 32 HA GLU 32 0.184 -5.736 -0.569
270 HB2 GLU 32 2HB GLU 32 0.075 -8.048 -2.537
271 HB3 GLU 32 3HB GLU 32 1.596 -7.391 -1.905
272 HG2 GLU 32 2HG GLU 32 0.849 -7.788 0.405
273 HG3 GLU 32 3HG GLU 32 -0.669 -8.449 -0.180
274 H GLU 33 H GLU 33 -0.745 -5.927 -4.044
275 HA GLU 33 HA GLU 33 1.424 -4.497 -5.081
276 HB2 GLU 33 2HB GLU 33 -0.223 -5.696 -6.437
277 HB3 GLU 33 3HB GLU 33 -1.465 -4.500 -6.051
278 HG2 GLU 33 2HG GLU 33 -0.295 -2.761 -7.250
279 HG3 GLU 33 3HG GLU 33 1.124 -3.777 -7.449
280 H ILE 34 H ILE 34 -1.406 -3.047 -3.421
281 HA ILE 34 HA ILE 34 -0.310 -0.347 -3.964
282 HB ILE 34 HB ILE 34 -2.208 0.607 -3.233
283 HG12 ILE 34 2HG1 ILE 34 -4.038 -0.863 -1.959
284 HG13 ILE 34 3HG1 ILE 34 -2.613 -1.717 -1.386
285 HG21 ILE 34 1HG2 ILE 34 -2.571 -0.931 -5.225
286 HG22 ILE 34 2HG2 ILE 34 -3.369 -2.052 -4.093
287 HG23 ILE 34 3HG2 ILE 34 -4.037 -0.449 -4.346
288 HD11 ILE 34 3HD1 ILE 34 -3.202 1.270 -1.091
289 HD12 ILE 34 1HD1 ILE 34 -1.731 0.480 -0.487
290 HD13 ILE 34 2HD1 ILE 34 -3.295 0.031 0.177
291 H ALA 35 H ALA 35 -0.282 -2.708 -1.353
292 HA ALA 35 HA ALA 35 0.482 -0.884 0.735
293 HB1 ALA 35 1HB ALA 35 0.717 -3.907 0.514
294 HB2 ALA 35 2HB ALA 35 0.855 -2.964 1.997
295 HB3 ALA 35 3HB ALA 35 -0.686 -3.008 1.143
296 H VAL 36 H VAL 36 2.221 -2.713 -1.635
297 HA VAL 36 HA VAL 36 4.757 -3.040 -0.530
298 HB VAL 36 HB VAL 36 3.484 -3.057 -3.235
299 HG11 VAL 36 1HG1 VAL 36 5.497 -1.937 -3.936
300 HG12 VAL 36 2HG1 VAL 36 6.505 -3.132 -3.069
301 HG13 VAL 36 3HG1 VAL 36 5.496 -3.618 -4.455
302 HG21 VAL 36 3HG2 VAL 36 3.602 -5.000 -1.620
303 HG22 VAL 36 1HG2 VAL 36 4.236 -5.338 -3.237
304 HG23 VAL 36 2HG2 VAL 36 5.355 -5.042 -1.881
305 H TRP 37 H TRP 37 3.539 -0.138 -2.150
306 HA TRP 37 HA TRP 37 6.184 1.175 -1.718
307 HB2 TRP 37 2HB TRP 37 5.425 2.728 -3.545
308 HB3 TRP 37 3HB TRP 37 5.832 1.096 -4.016
309 HD1 TRP 37 1HD TRP 37 3.867 -0.557 -4.724
310 HE1 TRP 37 1HE TRP 37 1.485 -0.230 -5.457
311 HE3 TRP 37 3HE TRP 37 3.405 4.388 -3.554
312 HZ2 TRP 37 2HZ TRP 37 -0.439 1.980 -5.632
313 HZ3 TRP 37 3HZ TRP 37 1.283 5.604 -4.051
314 HH2 TRP 37 2HH TRP 37 -0.644 4.408 -5.057
315 H THR 38 H THR 38 3.418 0.938 -0.130
316 HA THR 38 HA THR 38 3.360 3.817 0.709
317 HB THR 38 HB THR 38 1.042 3.441 1.438
318 HG1 THR 38 1HG THR 38 0.853 1.185 -0.131
319 HG21 THR 38 1HG2 THR 38 0.025 3.333 -0.818
320 HG22 THR 38 2HG2 THR 38 1.550 2.719 -1.496
321 HG23 THR 38 3HG2 THR 38 1.475 4.359 -0.826
322 H ASN 39 H ASN 39 4.759 1.100 1.713
323 HA ASN 39 HA ASN 39 5.454 0.220 3.661
324 HB2 ASN 39 2HB ASN 39 6.244 2.637 3.862
325 HB3 ASN 39 3HB ASN 39 4.887 2.902 4.952
326 HD21 ASN 39 1HD2 ASN 39 7.672 0.634 4.521
327 HD22 ASN 39 2HD2 ASN 39 7.989 0.556 6.247
328 H LEU 40 H LEU 40 2.870 -0.408 3.023
329 HA LEU 40 HA LEU 40 1.581 -0.894 5.691
330 HB2 LEU 40 2HB LEU 40 0.356 -0.673 2.915
331 HB3 LEU 40 3HB LEU 40 -0.532 -1.190 4.333
332 HG LEU 40 HG LEU 40 0.711 1.564 3.946
333 HD11 LEU 40 1HD1 LEU 40 -1.613 2.304 3.740
334 HD12 LEU 40 2HD1 LEU 40 -1.226 1.123 2.483
335 HD13 LEU 40 3HD1 LEU 40 -2.189 0.628 3.897
336 HD21 LEU 40 3HD2 LEU 40 0.627 1.004 6.325
337 HD22 LEU 40 1HD2 LEU 40 -0.676 2.137 5.953
338 HD23 LEU 40 2HD2 LEU 40 -1.046 0.419 6.160
339 H THR 41 H THR 41 0.047 -2.917 5.366
340 HA THR 41 HA THR 41 1.293 -5.087 3.786
341 HB THR 41 HB THR 41 2.173 -5.385 6.061
342 HG1 THR 41 1HG THR 41 1.575 -7.518 6.193
343 HG21 THR 41 1HG2 THR 41 0.678 -6.114 7.888
344 HG22 THR 41 2HG2 THR 41 -0.744 -5.727 6.897
345 HG23 THR 41 3HG2 THR 41 0.364 -4.437 7.429
346 H GLU 42 H GLU 42 -0.341 -6.967 3.582
347 HA GLU 42 HA GLU 42 -2.587 -5.816 2.323
348 HB2 GLU 42 2HB GLU 42 -3.110 -7.871 1.544
349 HB3 GLU 42 3HB GLU 42 -1.418 -8.077 1.931
350 HG2 GLU 42 2HG GLU 42 -2.329 -10.038 2.680
351 HG3 GLU 42 3HG GLU 42 -2.257 -9.113 4.171
352 H ALA 43 H ALA 43 -2.332 -7.075 5.572
353 HA ALA 43 HA ALA 43 -5.113 -7.175 6.214
354 HB1 ALA 43 1HB ALA 43 -4.321 -7.254 8.541
355 HB2 ALA 43 2HB ALA 43 -3.357 -8.323 7.505
356 HB3 ALA 43 3HB ALA 43 -2.696 -6.755 8.028
357 H ARG 44 H ARG 44 -2.762 -4.478 6.392
358 HA ARG 44 HA ARG 44 -4.532 -2.553 7.675
359 HB2 ARG 44 2HB ARG 44 -2.206 -2.128 5.746
360 HB3 ARG 44 3HB ARG 44 -3.000 -0.855 6.646
361 HG2 ARG 44 2HG ARG 44 -1.581 -3.171 8.019
362 HG3 ARG 44 3HG ARG 44 -0.781 -1.657 7.577
363 HD2 ARG 44 2HD ARG 44 -2.389 -0.379 8.952
364 HD3 ARG 44 3HD ARG 44 -3.199 -1.883 9.397
365 HE ARG 44 HE ARG 44 -1.192 -2.623 10.563
366 HH11 ARG 44 2HH2 ARG 44 -1.238 0.858 9.931
367 HH12 ARG 44 1HH2 ARG 44 -0.121 1.165 11.222
368 HH21 ARG 44 2HH1 ARG 44 0.256 -2.108 12.154
369 HH22 ARG 44 1HH1 ARG 44 0.739 -0.448 12.394
370 H VAL 45 H VAL 45 -3.818 -3.323 4.253
371 HA VAL 45 HA VAL 45 -5.679 -1.420 3.170
372 HB VAL 45 HB VAL 45 -4.829 -4.016 1.847
373 HG11 VAL 45 1HG1 VAL 45 -6.625 -2.790 0.669
374 HG12 VAL 45 2HG1 VAL 45 -5.660 -1.300 0.737
375 HG13 VAL 45 3HG1 VAL 45 -5.110 -2.677 -0.230
376 HG21 VAL 45 3HG2 VAL 45 -3.004 -2.613 0.816
377 HG22 VAL 45 1HG2 VAL 45 -3.363 -1.354 2.019
378 HG23 VAL 45 2HG2 VAL 45 -2.771 -2.947 2.525
379 H ARG 46 H ARG 46 -6.078 -4.918 3.910
380 HA ARG 46 HA ARG 46 -8.791 -5.246 3.183
381 HB2 ARG 46 2HB ARG 46 -7.142 -7.036 3.878
382 HB3 ARG 46 3HB ARG 46 -7.314 -6.489 5.546
383 HG2 ARG 46 2HG ARG 46 -9.851 -6.965 5.247
384 HG3 ARG 46 3HG ARG 46 -9.388 -7.828 3.775
385 HD2 ARG 46 2HD ARG 46 -8.363 -8.383 6.600
386 HD3 ARG 46 3HD ARG 46 -9.631 -9.286 5.787
387 HE ARG 46 HE ARG 46 -6.738 -9.209 4.904
388 HH11 ARG 46 2HH2 ARG 46 -9.694 -11.116 5.185
389 HH12 ARG 46 1HH2 ARG 46 -8.877 -12.551 4.633
390 HH21 ARG 46 2HH1 ARG 46 -5.849 -10.937 4.244
391 HH22 ARG 46 1HH1 ARG 46 -6.705 -12.476 4.100
392 H VAL 47 H VAL 47 -7.483 -4.221 6.364
393 HA VAL 47 HA VAL 47 -9.998 -3.745 7.643
394 HB VAL 47 HB VAL 47 -7.196 -2.676 8.124
395 HG11 VAL 47 1HG1 VAL 47 -8.669 -0.984 9.087
396 HG12 VAL 47 2HG1 VAL 47 -9.657 -2.246 9.866
397 HG13 VAL 47 3HG1 VAL 47 -7.976 -1.966 10.374
398 HG21 VAL 47 3HG2 VAL 47 -8.905 -4.625 9.733
399 HG22 VAL 47 1HG2 VAL 47 -7.703 -5.130 8.538
400 HG23 VAL 47 2HG2 VAL 47 -7.181 -4.237 9.967
401 H TRP 48 H TRP 48 -7.888 -1.465 5.801
402 HA TRP 48 HA TRP 48 -9.506 0.825 6.265
403 HB2 TRP 48 2HB TRP 48 -7.145 0.753 5.361
404 HB3 TRP 48 3HB TRP 48 -7.814 0.262 3.811
405 HD1 TRP 48 1HD TRP 48 -7.345 3.235 6.093
406 HE1 TRP 48 1HE TRP 48 -8.051 5.402 4.920
407 HE3 TRP 48 3HE TRP 48 -9.586 1.233 1.940
408 HZ2 TRP 48 2HZ TRP 48 -9.401 6.176 2.494
409 HZ3 TRP 48 3HZ TRP 48 -10.647 2.703 0.261
410 HH2 TRP 48 2HH TRP 48 -10.612 5.170 0.554
411 H PHE 49 H PHE 49 -9.535 -1.480 3.521
412 HA PHE 49 HA PHE 49 -11.724 -0.235 2.113
413 HB2 PHE 49 2HB PHE 49 -10.247 -2.855 1.931
414 HB3 PHE 49 3HB PHE 49 -11.766 -2.658 1.088
415 HD1 PHE 49 1HD PHE 49 -8.392 -0.947 1.415
416 HD2 PHE 49 2HD PHE 49 -11.884 -1.658 -1.022
417 HE1 PHE 49 1HE PHE 49 -7.287 0.172 -0.500
418 HE2 PHE 49 2HE PHE 49 -10.758 -0.561 -2.912
419 HZ PHE 49 HZ PHE 49 -8.486 0.385 -2.662
420 H LYS 50 H LYS 50 -11.611 -2.782 4.598
421 HA LYS 50 HA LYS 50 -14.415 -3.484 4.473
422 HB2 LYS 50 2HB LYS 50 -12.693 -4.898 5.532
423 HB3 LYS 50 3HB LYS 50 -12.468 -3.690 6.809
424 HG2 LYS 50 2HG LYS 50 -14.814 -4.031 7.547
425 HG3 LYS 50 3HG LYS 50 -15.088 -5.133 6.193
426 HD2 LYS 50 2HD LYS 50 -14.782 -6.422 8.196
427 HD3 LYS 50 3HD LYS 50 -13.394 -6.699 7.135
428 HE2 LYS 50 2HE LYS 50 -12.033 -5.126 8.474
429 HE3 LYS 50 3HE LYS 50 -13.437 -4.739 9.480
430 HZ1 LYS 50 3HZ LYS 50 -12.012 -6.391 10.551
431 HZ2 LYS 50 1HZ LYS 50 -12.172 -7.426 9.298
432 HZ3 LYS 50 2HZ LYS 50 -13.464 -7.056 10.227
433 H ASN 51 H ASN 51 -12.676 -1.110 6.515
434 HA ASN 51 HA ASN 51 -15.044 0.022 7.725
435 HB2 ASN 51 2HB ASN 51 -12.216 1.029 7.239
436 HB3 ASN 51 3HB ASN 51 -13.466 2.099 7.872
437 HD21 ASN 51 1HD2 ASN 51 -11.558 -0.807 8.580
438 HD22 ASN 51 2HD2 ASN 51 -11.929 -0.771 10.304
439 H ARG 52 H ARG 52 -13.474 0.626 4.573
440 HA ARG 52 HA ARG 52 -15.173 2.821 3.847
441 HB2 ARG 52 2HB ARG 52 -12.961 1.470 2.710
442 HB3 ARG 52 3HB ARG 52 -14.233 1.127 1.588
443 HG2 ARG 52 2HG ARG 52 -12.970 3.148 0.978
444 HG3 ARG 52 3HG ARG 52 -14.649 3.566 1.306
445 HD2 ARG 52 2HD ARG 52 -12.784 5.115 2.239
446 HD3 ARG 52 3HD ARG 52 -14.131 4.686 3.298
447 HE ARG 52 HE ARG 52 -11.952 2.813 3.596
448 HH11 ARG 52 2HH1 ARG 52 -12.635 6.101 4.546
449 HH12 ARG 52 1HH1 ARG 52 -11.872 5.897 6.100
450 HH21 ARG 52 1HH2 ARG 52 -11.079 2.586 5.514
451 HH22 ARG 52 2HH2 ARG 52 -10.936 3.935 6.625
452 H ARG 53 H ARG 53 -15.596 -0.677 3.227
453 HA ARG 53 HA ARG 53 -18.146 -0.408 1.909
454 HB2 ARG 53 2HB ARG 53 -16.847 -2.672 3.471
455 HB3 ARG 53 3HB ARG 53 -18.543 -2.754 3.024
456 HG2 ARG 53 2HG ARG 53 -17.527 -3.885 1.315
457 HG3 ARG 53 3HG ARG 53 -17.870 -2.311 0.609
458 HD2 ARG 53 2HD ARG 53 -15.521 -1.635 0.894
459 HD3 ARG 53 3HD ARG 53 -15.158 -3.145 1.741
460 HE ARG 53 HE ARG 53 -15.356 -2.742 -1.131
461 HH11 ARG 53 2HH1 ARG 53 -15.661 -5.259 1.311
462 HH12 ARG 53 1HH1 ARG 53 -15.463 -6.525 0.133
463 HH21 ARG 53 2HH2 ARG 53 -15.066 -4.370 -2.519
464 HH22 ARG 53 1HH2 ARG 53 -15.207 -6.041 -1.994
465 H ALA 54 H ALA 54 -17.369 -0.621 5.398
466 HA ALA 54 HA ALA 54 -20.094 -0.586 6.276
467 HB1 ALA 54 1HB ALA 54 -19.158 0.032 8.453
468 HB2 ALA 54 2HB ALA 54 -18.181 -1.242 7.698
469 HB3 ALA 54 3HB ALA 54 -17.603 0.439 7.706
470 H LYS 55 H LYS 55 -17.803 2.131 5.722
471 HA LYS 55 HA LYS 55 -19.632 4.239 6.436
472 HB2 LYS 55 2HB LYS 55 -17.079 4.168 4.792
473 HB3 LYS 55 3HB LYS 55 -17.978 5.658 5.119
474 HG2 LYS 55 2HG LYS 55 -17.749 5.348 7.534
475 HG3 LYS 55 3HG LYS 55 -16.982 3.786 7.313
476 HD2 LYS 55 2HD LYS 55 -15.260 5.368 7.806
477 HD3 LYS 55 3HD LYS 55 -15.096 4.855 6.130
478 HE2 LYS 55 2HE LYS 55 -14.682 7.220 6.216
479 HE3 LYS 55 3HE LYS 55 -16.220 6.977 5.390
480 HZ1 LYS 55 3HZ LYS 55 -16.335 8.768 7.039
481 HZ2 LYS 55 1HZ LYS 55 -15.915 7.759 8.247
482 HZ3 LYS 55 2HZ LYS 55 -17.347 7.571 7.482
483 H TRP 56 H TRP 56 -19.002 2.610 3.329
484 HA TRP 56 HA TRP 56 -20.695 4.269 1.705
485 HB2 TRP 56 2HB TRP 56 -19.258 2.883 0.506
486 HB3 TRP 56 3HB TRP 56 -19.549 1.500 1.546
487 HD1 TRP 56 1HD TRP 56 -21.876 3.580 -0.744
488 HE1 TRP 56 1HE TRP 56 -23.348 1.941 -2.134
489 HE3 TRP 56 3HE TRP 56 -20.154 -0.839 1.117
490 HZ2 TRP 56 2HZ TRP 56 -23.722 -0.882 -2.357
491 HZ3 TRP 56 3HZ TRP 56 -21.095 -3.006 0.326
492 HH2 TRP 56 2HH TRP 56 -22.867 -3.039 -1.419
493 H ARG 57 H ARG 57 -21.402 1.200 3.453
494 HA ARG 57 HA ARG 57 -24.099 1.014 2.631
495 HB2 ARG 57 2HB ARG 57 -22.559 -0.078 5.014
496 HB3 ARG 57 3HB ARG 57 -24.272 -0.466 4.782
497 HG2 ARG 57 2HG ARG 57 -23.832 -1.514 2.635
498 HG3 ARG 57 3HG ARG 57 -22.168 -0.938 2.646
499 HD2 ARG 57 2HD ARG 57 -22.131 -3.256 3.237
500 HD3 ARG 57 3HD ARG 57 -21.690 -2.292 4.660
501 HE ARG 57 HE ARG 57 -24.531 -2.857 4.605
502 HH11 ARG 57 2HH2 ARG 57 -21.510 -4.460 5.367
503 HH12 ARG 57 1HH2 ARG 57 -22.274 -5.565 6.476
504 HH21 ARG 57 2HH1 ARG 57 -25.438 -4.295 6.034
505 HH22 ARG 57 1HH1 ARG 57 -24.440 -5.473 6.832
506 H LYS 58 H LYS 58 -22.858 3.028 5.221
507 HA LYS 58 HA LYS 58 -25.459 3.702 6.375
508 HB2 LYS 58 2HB LYS 58 -22.691 4.938 6.472
509 HB3 LYS 58 3HB LYS 58 -24.076 5.899 6.952
510 HG2 LYS 58 2HG LYS 58 -23.272 4.994 8.939
511 HG3 LYS 58 3HG LYS 58 -24.760 4.116 8.572
512 HD2 LYS 58 2HD LYS 58 -23.380 2.195 7.723
513 HD3 LYS 58 3HD LYS 58 -21.922 3.152 8.044
514 HE2 LYS 58 2HE LYS 58 -22.157 1.596 9.826
515 HE3 LYS 58 3HE LYS 58 -22.469 3.218 10.450
516 HZ1 LYS 58 3HZ LYS 58 -24.572 1.231 9.739
517 HZ2 LYS 58 1HZ LYS 58 -24.858 2.719 10.357
518 HZ3 LYS 58 2HZ LYS 58 -24.100 1.592 11.257
519 H ARG 59 H ARG 59 -23.923 4.643 3.427
520 HA ARG 59 HA ARG 59 -25.719 7.017 3.039
521 HB2 ARG 59 2HB ARG 59 -22.984 6.370 1.885
522 HB3 ARG 59 3HB ARG 59 -23.944 7.817 1.537
523 HG2 ARG 59 2HG ARG 59 -23.772 8.608 3.807
524 HG3 ARG 59 3HG ARG 59 -23.041 7.095 4.357
525 HD2 ARG 59 2HD ARG 59 -21.313 8.756 4.158
526 HD3 ARG 59 3HD ARG 59 -21.071 7.469 2.981
527 HE ARG 59 HE ARG 59 -21.570 8.935 1.195
528 HH11 ARG 59 2HH2 ARG 59 -21.972 10.757 4.185
529 HH12 ARG 59 1HH2 ARG 59 -21.977 12.269 3.318
530 HH21 ARG 59 2HH1 ARG 59 -21.600 10.736 0.236
531 HH22 ARG 59 1HH1 ARG 59 -21.762 12.282 1.076
532 H GLU 60 H GLU 60 -24.729 3.997 1.620
533 HA GLU 60 HA GLU 60 -25.357 2.771 -0.145
534 HB2 GLU 60 2HB GLU 60 -28.015 4.209 0.119
535 HB3 GLU 60 3HB GLU 60 -27.718 2.688 -0.735
536 HG2 GLU 60 2HG GLU 60 -26.937 1.657 1.402
537 HG3 GLU 60 3HG GLU 60 -27.367 3.143 2.255
538 H GLU 61 H GLU 61 -23.866 5.051 -0.845
539 HA GLU 61 HA GLU 61 -25.034 6.349 -3.163
540 HB2 GLU 61 2HB GLU 61 -22.158 6.289 -2.175
541 HB3 GLU 61 3HB GLU 61 -22.751 7.263 -3.526
542 HG2 GLU 61 2HG GLU 61 -24.464 8.269 -1.904
543 HG3 GLU 61 3HG GLU 61 -23.583 7.454 -0.616
544 H PHE 62 H PHE 62 -22.414 3.884 -2.973
545 HA PHE 62 HA PHE 62 -22.506 3.390 -5.864
546 HB2 PHE 62 2HB PHE 62 -20.388 3.157 -4.786
547 HB3 PHE 62 3HB PHE 62 -21.035 2.088 -3.556
548 HD1 PHE 62 1HD PHE 62 -20.434 2.308 -7.261
549 HD2 PHE 62 2HD PHE 62 -20.985 -0.258 -3.835
550 HE1 PHE 62 1HE PHE 62 -19.888 0.323 -8.653
551 HE2 PHE 62 2HE PHE 62 -20.416 -2.232 -5.223
552 HZ PHE 62 HZ PHE 62 -19.880 -1.949 -7.639
553 H ILE 63 H ILE 63 -23.311 1.563 -6.882
554 HA ILE 63 HA ILE 63 -25.086 -0.312 -5.426
555 HB ILE 63 HB ILE 63 -25.905 1.401 -7.805
556 HG12 ILE 63 2HG1 ILE 63 -26.199 2.577 -5.657
557 HG13 ILE 63 3HG1 ILE 63 -27.706 2.259 -6.479
558 HG21 ILE 63 1HG2 ILE 63 -27.337 -0.994 -6.589
559 HG22 ILE 63 2HG2 ILE 63 -28.102 0.183 -7.679
560 HG23 ILE 63 3HG2 ILE 63 -26.758 -0.796 -8.257
561 HD11 ILE 63 3HD1 ILE 63 -28.260 0.448 -4.923
562 HD12 ILE 63 1HD1 ILE 63 -27.874 1.928 -4.036
563 HD13 ILE 63 2HD1 ILE 63 -26.685 0.618 -4.116
564 H VAL 64 H VAL 64 -24.915 -2.343 -6.204
565 HA VAL 64 HA VAL 64 -22.934 -2.921 -8.283
566 HB VAL 64 HB VAL 64 -24.716 -4.929 -6.882
567 HG11 VAL 64 1HG1 VAL 64 -21.936 -5.136 -8.137
568 HG12 VAL 64 2HG1 VAL 64 -22.787 -6.447 -7.295
569 HG13 VAL 64 3HG1 VAL 64 -23.441 -5.815 -8.801
570 HG21 VAL 64 3HG2 VAL 64 -22.840 -5.246 -5.256
571 HG22 VAL 64 1HG2 VAL 64 -22.021 -3.830 -5.950
572 HG23 VAL 64 2HG2 VAL 64 -23.571 -3.650 -5.098
573 H THR 65 H THR 65 -23.308 -3.660 -10.348
574 HA THR 65 HA THR 65 -25.937 -3.031 -11.421
575 HB THR 65 HB THR 65 -24.777 -3.281 -13.630
576 HG1 THR 65 1HG THR 65 -22.548 -3.596 -13.582
577 HG21 THR 65 1HG2 THR 65 -23.332 -1.331 -13.377
578 HG22 THR 65 2HG2 THR 65 -23.266 -1.562 -11.615
579 HG23 THR 65 3HG2 THR 65 -24.796 -1.115 -12.401
580 H ASP 66 H ASP 66 -24.558 -5.949 -10.477
581 HA ASP 66 HA ASP 66 -26.617 -7.538 -11.935
582 HB2 ASP 66 2HB ASP 66 -24.526 -7.725 -13.214
583 HB3 ASP 66 3HB ASP 66 -23.665 -8.243 -11.769
Start of MODEL 12
1 H1 GLY -1 1H GLY -1 7.930 16.057 14.222
2 H2 GLY -1 2H GLY -1 6.904 16.620 15.369
3 H3 GLY -1 3H GLY -1 6.402 15.475 14.309
4 HA2 GLY -1 2HA GLY -1 8.495 15.099 16.353
5 HA3 GLY -1 3HA GLY -1 6.834 14.492 16.474
6 H SER 0 H SER 0 9.626 13.182 16.244
7 HA SER 0 HA SER 0 9.736 11.849 13.699
8 HB2 SER 0 2HB SER 0 11.686 12.276 15.173
9 HB3 SER 0 3HB SER 0 11.071 11.057 16.309
10 HG SER 0 HG SER 0 12.634 10.251 14.768
11 H GLN 1 H GLN 1 9.086 9.898 13.027
12 HA GLN 1 HA GLN 1 7.798 8.077 12.760
13 HB2 GLN 1 2HB GLN 1 8.875 7.443 15.525
14 HB3 GLN 1 3HB GLN 1 8.153 6.271 14.419
15 HG2 GLN 1 2HG GLN 1 9.895 6.724 12.734
16 HG3 GLN 1 3HG GLN 1 10.660 7.891 13.817
17 HE21 GLN 1 2HE2 GLN 1 11.584 7.065 15.891
18 HE22 GLN 1 1HE2 GLN 1 12.078 5.377 15.962
19 H ARG 2 H ARG 2 6.286 10.362 14.030
20 HA ARG 2 HA ARG 2 4.138 9.058 15.564
21 HB2 ARG 2 2HB ARG 2 4.345 11.882 14.433
22 HB3 ARG 2 3HB ARG 2 3.097 11.313 15.533
23 HG2 ARG 2 2HG ARG 2 6.052 11.648 16.132
24 HG3 ARG 2 3HG ARG 2 4.713 12.574 16.790
25 HD2 ARG 2 2HD ARG 2 5.342 9.646 17.340
26 HD3 ARG 2 3HD ARG 2 5.612 11.002 18.435
27 HE ARG 2 HE ARG 2 2.926 11.202 17.956
28 HH11 ARG 2 2HH1 ARG 2 4.887 8.557 19.152
29 HH12 ARG 2 1HH1 ARG 2 3.566 7.866 20.054
30 HH21 ARG 2 2HH2 ARG 2 1.283 10.261 19.120
31 HH22 ARG 2 1HH2 ARG 2 1.586 8.816 20.037
32 H ARG 3 H ARG 3 1.836 9.557 14.934
33 HA ARG 3 HA ARG 3 1.278 8.916 12.073
34 HB2 ARG 3 2HB ARG 3 1.353 6.940 14.014
35 HB3 ARG 3 3HB ARG 3 -0.311 7.465 14.157
36 HG2 ARG 3 2HG ARG 3 -0.339 5.680 12.622
37 HG3 ARG 3 3HG ARG 3 -0.521 7.126 11.638
38 HD2 ARG 3 2HD ARG 3 0.981 5.742 10.458
39 HD3 ARG 3 3HD ARG 3 2.007 6.977 11.172
40 HE ARG 3 HE ARG 3 1.717 4.123 12.026
41 HH11 ARG 3 2HH2 ARG 3 3.618 7.073 12.345
42 HH12 ARG 3 1HH2 ARG 3 4.741 6.313 13.433
43 HH21 ARG 3 2HH1 ARG 3 3.297 3.205 13.292
44 HH22 ARG 3 1HH1 ARG 3 4.644 4.169 13.821
45 H GLN 4 H GLN 4 -1.030 9.233 11.475
46 HA GLN 4 HA GLN 4 -1.786 11.849 12.518
47 HB2 GLN 4 2HB GLN 4 -1.494 11.260 10.072
48 HB3 GLN 4 3HB GLN 4 -2.981 10.326 10.178
49 HG2 GLN 4 2HG GLN 4 -3.460 12.502 9.234
50 HG3 GLN 4 3HG GLN 4 -4.228 12.400 10.801
51 HE21 GLN 4 2HE2 GLN 4 -4.297 14.815 10.594
52 HE22 GLN 4 1HE2 GLN 4 -2.865 15.708 11.088
53 H ARG 5 H ARG 5 -2.309 10.558 14.568
54 HA ARG 5 HA ARG 5 -3.669 9.783 16.196
55 HB2 ARG 5 2HB ARG 5 -5.965 10.943 14.580
56 HB3 ARG 5 3HB ARG 5 -6.038 10.390 16.254
57 HG2 ARG 5 2HG ARG 5 -4.316 12.079 16.890
58 HG3 ARG 5 3HG ARG 5 -4.308 12.680 15.219
59 HD2 ARG 5 2HD ARG 5 -6.714 13.225 15.398
60 HD3 ARG 5 3HD ARG 5 -6.723 12.631 17.072
61 HE ARG 5 HE ARG 5 -4.677 14.598 16.824
62 HH11 ARG 5 2HH1 ARG 5 -8.179 14.499 16.833
63 HH12 ARG 5 1HH1 ARG 5 -8.316 16.132 17.428
64 HH21 ARG 5 2HH2 ARG 5 -4.922 16.674 17.579
65 HH22 ARG 5 1HH2 ARG 5 -6.513 17.325 17.837
66 H THR 6 H THR 6 -5.114 8.871 13.088
67 HA THR 6 HA THR 6 -5.845 6.172 14.030
68 HB THR 6 HB THR 6 -7.213 7.314 12.348
69 HG1 THR 6 1HG THR 6 -7.458 5.536 11.103
70 HG21 THR 6 1HG2 THR 6 -6.473 7.409 9.984
71 HG22 THR 6 2HG2 THR 6 -4.818 7.007 10.479
72 HG23 THR 6 3HG2 THR 6 -5.565 8.527 11.001
73 H HIS 7 H HIS 7 -4.972 4.319 12.562
74 HA HIS 7 HA HIS 7 -2.149 4.051 13.120
75 HB2 HIS 7 2HB HIS 7 -4.007 2.254 11.511
76 HB3 HIS 7 3HB HIS 7 -2.451 1.800 12.206
77 HD2 HIS 7 2HD HIS 7 -2.296 1.503 14.899
78 HE1 HIS 7 1HE HIS 7 -6.502 1.460 15.615
79 HE2 HIS 7 2HE HIS 7 -4.214 0.998 16.636
80 H PHE 8 H PHE 8 -3.560 5.599 10.538
81 HA PHE 8 HA PHE 8 -1.440 4.914 8.548
82 HB2 PHE 8 2HB PHE 8 -4.224 6.036 8.159
83 HB3 PHE 8 3HB PHE 8 -3.058 5.724 6.882
84 HD1 PHE 8 1HD PHE 8 -5.261 4.100 9.423
85 HD2 PHE 8 2HD PHE 8 -2.735 3.518 5.975
86 HE1 PHE 8 1HE PHE 8 -6.103 1.776 9.197
87 HE2 PHE 8 2HE PHE 8 -3.628 1.216 5.719
88 HZ PHE 8 HZ PHE 8 -5.300 0.337 7.341
89 H THR 9 H THR 9 -0.758 6.655 7.123
90 HA THR 9 HA THR 9 -0.401 9.242 8.567
91 HB THR 9 HB THR 9 1.388 9.777 7.211
92 HG1 THR 9 1HG THR 9 1.913 8.625 5.333
93 HG21 THR 9 1HG2 THR 9 1.950 7.893 8.744
94 HG22 THR 9 2HG2 THR 9 2.961 7.943 7.285
95 HG23 THR 9 3HG2 THR 9 1.648 6.758 7.409
96 H SER 10 H SER 10 -0.696 11.271 7.409
97 HA SER 10 HA SER 10 -3.116 11.543 6.038
98 HB2 SER 10 2HB SER 10 -0.771 13.395 5.620
99 HB3 SER 10 3HB SER 10 -2.513 13.766 5.647
100 HG SER 10 HG SER 10 -1.409 14.386 7.593
101 H GLN 11 H GLN 11 -0.098 10.436 4.660
102 HA GLN 11 HA GLN 11 -0.984 11.099 1.912
103 HB2 GLN 11 2HB GLN 11 1.351 11.624 2.690
104 HB3 GLN 11 3HB GLN 11 1.639 9.887 2.832
105 HG2 GLN 11 2HG GLN 11 2.486 10.696 0.702
106 HG3 GLN 11 3HG GLN 11 1.133 9.608 0.414
107 HE21 GLN 11 2HE2 GLN 11 0.059 10.402 -1.465
108 HE22 GLN 11 1HE2 GLN 11 -0.310 12.111 -1.673
109 H GLN 12 H GLN 12 -0.301 8.227 4.002
110 HA GLN 12 HA GLN 12 -0.640 6.193 2.021
111 HB2 GLN 12 2HB GLN 12 -1.344 6.250 4.982
112 HB3 GLN 12 3HB GLN 12 -1.413 4.794 3.970
113 HG2 GLN 12 2HG GLN 12 0.937 4.892 3.494
114 HG3 GLN 12 3HG GLN 12 1.129 6.399 4.381
115 HE21 GLN 12 2HE2 GLN 12 2.319 3.685 4.808
116 HE22 GLN 12 1HE2 GLN 12 1.958 3.287 6.480
117 H LEU 13 H LEU 13 -3.003 7.853 4.101
118 HA LEU 13 HA LEU 13 -5.392 6.581 3.308
119 HB2 LEU 13 2HB LEU 13 -4.865 9.486 4.042
120 HB3 LEU 13 3HB LEU 13 -6.457 8.726 4.006
121 HG LEU 13 HG LEU 13 -4.209 7.657 5.775
122 HD11 LEU 13 1HD1 LEU 13 -4.602 10.031 6.332
123 HD12 LEU 13 2HD1 LEU 13 -6.325 9.668 6.596
124 HD13 LEU 13 3HD1 LEU 13 -5.064 8.921 7.624
125 HD21 LEU 13 3HD2 LEU 13 -5.944 6.086 5.489
126 HD22 LEU 13 1HD2 LEU 13 -6.104 6.780 7.104
127 HD23 LEU 13 2HD2 LEU 13 -7.208 7.319 5.821
128 H GLN 14 H GLN 14 -3.559 9.041 1.529
129 HA GLN 14 HA GLN 14 -5.695 9.709 -0.339
130 HB2 GLN 14 2HB GLN 14 -2.723 10.068 -0.825
131 HB3 GLN 14 3HB GLN 14 -4.060 10.905 -1.596
132 HG2 GLN 14 2HG GLN 14 -3.115 11.167 1.255
133 HG3 GLN 14 3HG GLN 14 -2.939 12.371 -0.007
134 HE21 GLN 14 2HE2 GLN 14 -4.295 12.406 2.702
135 HE22 GLN 14 1HE2 GLN 14 -5.924 13.007 2.350
136 H GLU 15 H GLU 15 -2.895 7.480 -0.356
137 HA GLU 15 HA GLU 15 -3.302 6.601 -3.091
138 HB2 GLU 15 2HB GLU 15 -1.907 5.015 -0.922
139 HB3 GLU 15 3HB GLU 15 -1.655 4.946 -2.657
140 HG2 GLU 15 2HG GLU 15 -0.776 7.061 -0.687
141 HG3 GLU 15 3HG GLU 15 0.227 6.058 -1.706
142 H LEU 16 H LEU 16 -4.452 5.474 0.066
143 HA LEU 16 HA LEU 16 -5.744 3.073 -0.839
144 HB2 LEU 16 2HB LEU 16 -6.090 4.888 1.572
145 HB3 LEU 16 3HB LEU 16 -7.006 3.403 1.364
146 HG LEU 16 HG LEU 16 -3.973 3.321 1.217
147 HD11 LEU 16 1HD1 LEU 16 -5.623 3.129 3.751
148 HD12 LEU 16 2HD1 LEU 16 -3.879 2.854 3.598
149 HD13 LEU 16 3HD1 LEU 16 -4.544 4.471 3.319
150 HD21 LEU 16 3HD2 LEU 16 -4.335 1.024 2.016
151 HD22 LEU 16 1HD2 LEU 16 -6.089 1.305 2.080
152 HD23 LEU 16 2HD2 LEU 16 -5.237 1.325 0.521
153 H GLU 17 H GLU 17 -7.155 6.368 -0.154
154 HA GLU 17 HA GLU 17 -9.684 5.562 -1.248
155 HB2 GLU 17 2HB GLU 17 -10.449 7.739 -1.012
156 HB3 GLU 17 3HB GLU 17 -9.385 7.447 0.360
157 HG2 GLU 17 2HG GLU 17 -7.603 8.762 -0.753
158 HG3 GLU 17 3HG GLU 17 -8.642 9.021 -2.149
159 H ALA 18 H ALA 18 -6.833 6.808 -2.899
160 HA ALA 18 HA ALA 18 -8.226 7.313 -5.399
161 HB1 ALA 18 1HB ALA 18 -6.116 8.432 -4.848
162 HB2 ALA 18 2HB ALA 18 -5.271 6.866 -4.803
163 HB3 ALA 18 3HB ALA 18 -5.948 7.473 -6.330
164 H THR 19 H THR 19 -6.223 4.529 -4.199
165 HA THR 19 HA THR 19 -6.636 3.048 -6.622
166 HB THR 19 HB THR 19 -4.762 2.804 -4.913
167 HG1 THR 19 1HG THR 19 -5.885 0.388 -5.816
168 HG21 THR 19 1HG2 THR 19 -6.394 2.137 -2.998
169 HG22 THR 19 2HG2 THR 19 -4.919 1.206 -3.207
170 HG23 THR 19 3HG2 THR 19 -6.464 0.553 -3.811
171 H PHE 20 H PHE 20 -8.545 3.297 -3.691
172 HA PHE 20 HA PHE 20 -10.352 1.147 -4.064
173 HB2 PHE 20 2HB PHE 20 -10.187 2.414 -2.015
174 HB3 PHE 20 3HB PHE 20 -10.600 3.906 -2.837
175 HD1 PHE 20 1HD PHE 20 -12.300 0.518 -2.883
176 HD2 PHE 20 2HD PHE 20 -12.553 4.693 -1.843
177 HE1 PHE 20 1HE PHE 20 -14.657 0.200 -2.193
178 HE2 PHE 20 2HE PHE 20 -14.919 4.374 -1.163
179 HZ PHE 20 HZ PHE 20 -15.973 2.127 -1.330
180 H GLN 21 H GLN 21 -10.097 4.195 -5.875
181 HA GLN 21 HA GLN 21 -12.782 4.014 -6.975
182 HB2 GLN 21 2HB GLN 21 -10.382 5.518 -8.080
183 HB3 GLN 21 3HB GLN 21 -12.077 5.782 -8.501
184 HG2 GLN 21 2HG GLN 21 -10.610 6.491 -5.967
185 HG3 GLN 21 3HG GLN 21 -11.458 7.562 -7.060
186 HE21 GLN 21 2HE2 GLN 21 -11.667 6.375 -4.041
187 HE22 GLN 21 1HE2 GLN 21 -13.428 6.289 -3.869
188 H ARG 22 H ARG 22 -9.587 2.942 -8.079
189 HA ARG 22 HA ARG 22 -10.680 1.895 -10.633
190 HB2 ARG 22 2HB ARG 22 -8.381 1.279 -11.157
191 HB3 ARG 22 3HB ARG 22 -8.520 2.989 -10.732
192 HG2 ARG 22 2HG ARG 22 -7.626 2.537 -8.494
193 HG3 ARG 22 3HG ARG 22 -7.548 0.797 -8.838
194 HD2 ARG 22 2HD ARG 22 -5.916 1.250 -10.649
195 HD3 ARG 22 3HD ARG 22 -5.973 2.983 -10.245
196 HE ARG 22 HE ARG 22 -5.404 1.446 -7.883
197 HH11 ARG 22 2HH1 ARG 22 -3.693 2.437 -10.778
198 HH12 ARG 22 1HH1 ARG 22 -2.148 2.351 -9.975
199 HH21 ARG 22 2HH2 ARG 22 -3.529 1.374 -6.952
200 HH22 ARG 22 1HH2 ARG 22 -2.045 1.740 -7.821
201 H ASN 23 H ASN 23 -9.871 0.655 -7.476
202 HA ASN 23 HA ASN 23 -10.833 -2.042 -8.321
203 HB2 ASN 23 2HB ASN 23 -8.311 -1.967 -8.161
204 HB3 ASN 23 3HB ASN 23 -8.464 -1.505 -6.466
205 HD21 ASN 23 1HD2 ASN 23 -7.073 -3.791 -7.061
206 HD22 ASN 23 2HD2 ASN 23 -8.030 -5.207 -6.656
207 H HIS 24 H HIS 24 -12.800 -2.070 -7.334
208 HA HIS 24 HA HIS 24 -13.188 -0.830 -4.687
209 HB2 HIS 24 2HB HIS 24 -15.046 -2.172 -6.671
210 HB3 HIS 24 3HB HIS 24 -15.564 -1.663 -5.070
211 HD2 HIS 24 2HD HIS 24 -13.705 0.139 -8.048
212 HE1 HIS 24 1HE HIS 24 -16.572 2.837 -6.429
213 HE2 HIS 24 2HE HIS 24 -14.780 2.514 -8.221
214 H TYR 25 H TYR 25 -12.038 -3.864 -5.638
215 HA TYR 25 HA TYR 25 -12.709 -5.128 -3.059
216 HB2 TYR 25 2HB TYR 25 -13.628 -7.163 -4.303
217 HB3 TYR 25 3HB TYR 25 -14.653 -5.769 -4.124
218 HD1 TYR 25 1HD TYR 25 -12.749 -7.778 -6.605
219 HD2 TYR 25 2HD TYR 25 -15.453 -4.474 -5.986
220 HE1 TYR 25 1HE TYR 25 -13.224 -7.704 -9.046
221 HE2 TYR 25 2HE TYR 25 -15.922 -4.400 -8.427
222 HH TYR 25 HH TYR 25 -15.482 -5.318 -10.482
223 HA PRO 26 HA PRO 26 -8.545 -6.178 -4.882
224 HB2 PRO 26 2HB PRO 26 -6.890 -5.325 -2.902
225 HB3 PRO 26 3HB PRO 26 -7.551 -4.239 -4.146
226 HG2 PRO 26 2HG PRO 26 -8.650 -4.741 -1.364
227 HG3 PRO 26 3HG PRO 26 -8.277 -3.162 -2.131
228 HD2 PRO 26 2HD PRO 26 -10.803 -4.173 -2.148
229 HD3 PRO 26 3HD PRO 26 -10.151 -3.328 -3.585
230 H ASP 27 H ASP 27 -7.142 -7.778 -4.320
231 HA ASP 27 HA ASP 27 -8.106 -9.799 -2.329
232 HB2 ASP 27 2HB ASP 27 -8.605 -10.236 -4.773
233 HB3 ASP 27 3HB ASP 27 -6.868 -10.310 -5.054
234 H MET 28 H MET 28 -6.210 -11.557 -2.074
235 HA MET 28 HA MET 28 -4.134 -10.415 -0.601
236 HB2 MET 28 2HB MET 28 -3.001 -12.549 -0.715
237 HB3 MET 28 3HB MET 28 -4.732 -12.798 -0.502
238 HG2 MET 28 2HG MET 28 -5.006 -13.445 -2.812
239 HG3 MET 28 3HG MET 28 -3.379 -12.947 -3.232
240 HE1 MET 28 3HE MET 28 -1.315 -14.042 -1.320
241 HE2 MET 28 1HE MET 28 -0.998 -15.603 -2.106
242 HE3 MET 28 2HE MET 28 -1.310 -14.154 -3.092
243 H SER 29 H SER 29 -4.141 -10.813 -4.104
244 HA SER 29 HA SER 29 -1.275 -10.223 -4.350
245 HB2 SER 29 2HB SER 29 -3.405 -10.480 -6.503
246 HB3 SER 29 3HB SER 29 -1.651 -10.381 -6.759
247 HG SER 29 HG SER 29 -2.402 -12.554 -6.762
248 H THR 30 H THR 30 -4.382 -8.509 -4.996
249 HA THR 30 HA THR 30 -3.015 -6.136 -6.014
250 HB THR 30 HB THR 30 -5.501 -5.237 -5.782
251 HG1 THR 30 1HG THR 30 -6.201 -7.783 -6.478
252 HG21 THR 30 1HG2 THR 30 -4.562 -7.248 -7.876
253 HG22 THR 30 2HG2 THR 30 -4.299 -5.492 -7.904
254 HG23 THR 30 3HG2 THR 30 -5.941 -6.135 -8.060
255 H ARG 31 H ARG 31 -4.594 -7.006 -2.928
256 HA ARG 31 HA ARG 31 -4.312 -4.497 -1.594
257 HB2 ARG 31 2HB ARG 31 -3.937 -7.351 -0.584
258 HB3 ARG 31 3HB ARG 31 -4.042 -5.934 0.474
259 HG2 ARG 31 2HG ARG 31 -6.365 -5.562 -0.107
260 HG3 ARG 31 3HG ARG 31 -6.290 -6.806 -1.358
261 HD2 ARG 31 2HD ARG 31 -5.512 -8.383 0.590
262 HD3 ARG 31 3HD ARG 31 -6.239 -7.165 1.641
263 HE ARG 31 HE ARG 31 -8.252 -7.627 -0.131
264 HH11 ARG 31 2HH1 ARG 31 -6.185 -10.091 1.409
265 HH12 ARG 31 1HH1 ARG 31 -7.417 -11.298 1.194
266 HH21 ARG 31 2HH2 ARG 31 -9.664 -9.225 -0.383
267 HH22 ARG 31 1HH2 ARG 31 -9.305 -10.848 0.139
268 H GLU 32 H GLU 32 -1.916 -7.183 -1.889
269 HA GLU 32 HA GLU 32 0.203 -5.755 -0.578
270 HB2 GLU 32 2HB GLU 32 0.240 -8.048 -2.573
271 HB3 GLU 32 3HB GLU 32 1.702 -7.342 -1.868
272 HG2 GLU 32 2HG GLU 32 0.755 -7.779 0.421
273 HG3 GLU 32 3HG GLU 32 -0.545 -8.695 -0.333
274 H GLU 33 H GLU 33 -0.697 -5.945 -4.061
275 HA GLU 33 HA GLU 33 1.449 -4.479 -5.084
276 HB2 GLU 33 2HB GLU 33 -0.173 -5.680 -6.457
277 HB3 GLU 33 3HB GLU 33 -1.438 -4.513 -6.052
278 HG2 GLU 33 2HG GLU 33 -0.319 -2.741 -7.238
279 HG3 GLU 33 3HG GLU 33 1.132 -3.712 -7.439
280 H ILE 34 H ILE 34 -1.408 -3.074 -3.431
281 HA ILE 34 HA ILE 34 -0.361 -0.352 -3.961
282 HB ILE 34 HB ILE 34 -2.280 0.555 -3.240
283 HG12 ILE 34 2HG1 ILE 34 -4.054 -0.913 -1.900
284 HG13 ILE 34 3HG1 ILE 34 -2.609 -1.741 -1.341
285 HG21 ILE 34 1HG2 ILE 34 -3.394 -2.149 -4.011
286 HG22 ILE 34 2HG2 ILE 34 -4.113 -0.577 -4.275
287 HG23 ILE 34 3HG2 ILE 34 -2.658 -1.032 -5.189
288 HD11 ILE 34 3HD1 ILE 34 -3.217 1.248 -1.103
289 HD12 ILE 34 1HD1 ILE 34 -1.737 0.481 -0.494
290 HD13 ILE 34 2HD1 ILE 34 -3.292 0.042 0.193
291 H ALA 35 H ALA 35 -0.285 -2.724 -1.364
292 HA ALA 35 HA ALA 35 0.455 -0.898 0.732
293 HB1 ALA 35 1HB ALA 35 0.711 -3.920 0.508
294 HB2 ALA 35 2HB ALA 35 0.809 -2.977 1.994
295 HB3 ALA 35 3HB ALA 35 -0.714 -3.037 1.107
296 H VAL 36 H VAL 36 2.219 -2.702 -1.638
297 HA VAL 36 HA VAL 36 4.750 -3.029 -0.527
298 HB VAL 36 HB VAL 36 3.484 -3.029 -3.232
299 HG11 VAL 36 1HG1 VAL 36 5.509 -3.545 -4.460
300 HG12 VAL 36 2HG1 VAL 36 5.473 -1.869 -3.929
301 HG13 VAL 36 3HG1 VAL 36 6.507 -3.050 -3.070
302 HG21 VAL 36 3HG2 VAL 36 4.279 -5.297 -3.263
303 HG22 VAL 36 1HG2 VAL 36 5.382 -4.997 -1.894
304 HG23 VAL 36 2HG2 VAL 36 3.625 -4.986 -1.648
305 H TRP 37 H TRP 37 3.537 -0.130 -2.157
306 HA TRP 37 HA TRP 37 6.179 1.190 -1.713
307 HB2 TRP 37 2HB TRP 37 5.417 2.750 -3.530
308 HB3 TRP 37 3HB TRP 37 5.807 1.116 -4.013
309 HD1 TRP 37 1HD TRP 37 3.825 -0.511 -4.712
310 HE1 TRP 37 1HE TRP 37 1.432 -0.175 -5.393
311 HE3 TRP 37 3HE TRP 37 3.405 4.421 -3.485
312 HZ2 TRP 37 2HZ TRP 37 -0.496 2.048 -5.494
313 HZ3 TRP 37 3HZ TRP 37 1.272 5.649 -3.909
314 HH2 TRP 37 2HH TRP 37 -0.681 4.472 -4.881
315 H THR 38 H THR 38 3.402 0.952 -0.129
316 HA THR 38 HA THR 38 3.342 3.828 0.717
317 HB THR 38 HB THR 38 1.019 3.440 1.443
318 HG1 THR 38 1HG THR 38 0.836 1.183 -0.121
319 HG21 THR 38 1HG2 THR 38 1.489 4.335 -0.832
320 HG22 THR 38 2HG2 THR 38 0.011 3.347 -0.801
321 HG23 THR 38 3HG2 THR 38 1.514 2.689 -1.484
322 H ASN 39 H ASN 39 4.739 1.107 1.719
323 HA ASN 39 HA ASN 39 5.437 0.221 3.657
324 HB2 ASN 39 2HB ASN 39 6.226 2.636 3.885
325 HB3 ASN 39 3HB ASN 39 4.860 2.885 4.968
326 HD21 ASN 39 1HD2 ASN 39 6.653 3.476 6.494
327 HD22 ASN 39 2HD2 ASN 39 7.431 2.163 7.369
328 H LEU 40 H LEU 40 2.913 -0.471 3.042
329 HA LEU 40 HA LEU 40 1.603 -0.964 5.697
330 HB2 LEU 40 2HB LEU 40 0.375 -0.714 2.925
331 HB3 LEU 40 3HB LEU 40 -0.515 -1.211 4.348
332 HG LEU 40 HG LEU 40 0.762 1.524 3.939
333 HD11 LEU 40 1HD1 LEU 40 -1.183 1.107 2.484
334 HD12 LEU 40 2HD1 LEU 40 -2.147 0.615 3.892
335 HD13 LEU 40 3HD1 LEU 40 -1.560 2.290 3.742
336 HD21 LEU 40 3HD2 LEU 40 0.666 0.954 6.328
337 HD22 LEU 40 1HD2 LEU 40 -0.575 2.148 5.944
338 HD23 LEU 40 2HD2 LEU 40 -1.030 0.450 6.157
339 H THR 41 H THR 41 0.048 -2.982 5.312
340 HA THR 41 HA THR 41 1.293 -5.134 3.704
341 HB THR 41 HB THR 41 2.160 -5.474 5.975
342 HG1 THR 41 1HG THR 41 1.538 -7.601 6.084
343 HG21 THR 41 1HG2 THR 41 0.661 -6.197 7.796
344 HG22 THR 41 2HG2 THR 41 -0.760 -5.800 6.808
345 HG23 THR 41 3HG2 THR 41 0.351 -4.516 7.346
346 H GLU 42 H GLU 42 -0.380 -7.016 3.451
347 HA GLU 42 HA GLU 42 -2.622 -5.777 2.248
348 HB2 GLU 42 2HB GLU 42 -3.446 -7.862 1.661
349 HB3 GLU 42 3HB GLU 42 -1.701 -7.967 1.536
350 HG2 GLU 42 2HG GLU 42 -1.559 -9.445 3.392
351 HG3 GLU 42 3HG GLU 42 -3.158 -9.022 3.994
352 H ALA 43 H ALA 43 -2.358 -7.094 5.485
353 HA ALA 43 HA ALA 43 -5.142 -7.204 6.123
354 HB1 ALA 43 1HB ALA 43 -2.727 -6.779 7.942
355 HB2 ALA 43 2HB ALA 43 -4.349 -7.290 8.451
356 HB3 ALA 43 3HB ALA 43 -3.376 -8.349 7.414
357 H ARG 44 H ARG 44 -2.784 -4.520 6.330
358 HA ARG 44 HA ARG 44 -4.527 -2.574 7.601
359 HB2 ARG 44 2HB ARG 44 -2.176 -2.267 5.669
360 HB3 ARG 44 3HB ARG 44 -2.993 -0.918 6.413
361 HG2 ARG 44 2HG ARG 44 -1.523 -3.089 7.966
362 HG3 ARG 44 3HG ARG 44 -0.889 -1.494 7.543
363 HD2 ARG 44 2HD ARG 44 -3.210 -0.714 8.704
364 HD3 ARG 44 3HD ARG 44 -3.004 -2.250 9.531
365 HE ARG 44 HE ARG 44 -0.994 -1.441 10.547
366 HH11 ARG 44 2HH2 ARG 44 -2.460 1.096 8.559
367 HH12 ARG 44 1HH2 ARG 44 -1.471 2.318 9.326
368 HH21 ARG 44 2HH1 ARG 44 0.218 0.252 11.400
369 HH22 ARG 44 1HH1 ARG 44 -0.115 1.883 10.851
370 H VAL 45 H VAL 45 -3.863 -3.362 4.195
371 HA VAL 45 HA VAL 45 -5.653 -1.408 3.089
372 HB VAL 45 HB VAL 45 -4.868 -4.059 1.813
373 HG11 VAL 45 1HG1 VAL 45 -5.679 -1.370 0.625
374 HG12 VAL 45 2HG1 VAL 45 -5.161 -2.794 -0.296
375 HG13 VAL 45 3HG1 VAL 45 -6.670 -2.847 0.620
376 HG21 VAL 45 3HG2 VAL 45 -3.390 -1.404 1.929
377 HG22 VAL 45 1HG2 VAL 45 -2.807 -2.990 2.462
378 HG23 VAL 45 2HG2 VAL 45 -3.043 -2.686 0.747
379 H ARG 46 H ARG 46 -6.170 -4.886 3.856
380 HA ARG 46 HA ARG 46 -8.909 -4.987 3.098
381 HB2 ARG 46 2HB ARG 46 -7.200 -6.858 3.664
382 HB3 ARG 46 3HB ARG 46 -7.682 -6.634 5.347
383 HG2 ARG 46 2HG ARG 46 -10.029 -7.184 4.732
384 HG3 ARG 46 3HG ARG 46 -9.560 -7.269 3.020
385 HD2 ARG 46 2HD ARG 46 -7.906 -9.085 3.647
386 HD3 ARG 46 3HD ARG 46 -8.604 -9.106 5.261
387 HE ARG 46 HE ARG 46 -9.813 -10.037 2.722
388 HH11 ARG 46 2HH2 ARG 46 -10.426 -9.498 6.136
389 HH12 ARG 46 1HH2 ARG 46 -11.842 -10.513 6.134
390 HH21 ARG 46 2HH1 ARG 46 -11.640 -11.322 2.804
391 HH22 ARG 46 1HH1 ARG 46 -12.502 -11.509 4.300
392 H VAL 47 H VAL 47 -7.491 -4.186 6.279
393 HA VAL 47 HA VAL 47 -9.964 -3.721 7.662
394 HB VAL 47 HB VAL 47 -7.121 -2.760 8.106
395 HG11 VAL 47 1HG1 VAL 47 -8.481 -1.019 9.122
396 HG12 VAL 47 2HG1 VAL 47 -9.532 -2.237 9.892
397 HG13 VAL 47 3HG1 VAL 47 -7.833 -2.058 10.388
398 HG21 VAL 47 3HG2 VAL 47 -7.154 -4.341 9.945
399 HG22 VAL 47 1HG2 VAL 47 -8.890 -4.661 9.715
400 HG23 VAL 47 2HG2 VAL 47 -7.713 -5.194 8.505
401 H TRP 48 H TRP 48 -7.837 -1.408 5.857
402 HA TRP 48 HA TRP 48 -9.463 0.874 6.385
403 HB2 TRP 48 2HB TRP 48 -7.103 0.833 5.499
404 HB3 TRP 48 3HB TRP 48 -7.759 0.362 3.932
405 HD1 TRP 48 1HD TRP 48 -7.214 3.297 6.213
406 HE1 TRP 48 1HE TRP 48 -7.866 5.490 5.052
407 HE3 TRP 48 3HE TRP 48 -9.637 1.382 2.115
408 HZ2 TRP 48 2HZ TRP 48 -9.272 6.312 2.670
409 HZ3 TRP 48 3HZ TRP 48 -10.682 2.892 0.461
410 HH2 TRP 48 2HH TRP 48 -10.552 5.353 0.755
411 H PHE 49 H PHE 49 -9.503 -1.371 3.573
412 HA PHE 49 HA PHE 49 -11.699 -0.094 2.223
413 HB2 PHE 49 2HB PHE 49 -10.322 -2.781 2.040
414 HB3 PHE 49 3HB PHE 49 -11.823 -2.509 1.192
415 HD1 PHE 49 2HD PHE 49 -8.494 -0.676 1.590
416 HD2 PHE 49 1HD PHE 49 -11.724 -1.856 -1.019
417 HE1 PHE 49 2HE PHE 49 -7.303 0.317 -0.348
418 HE2 PHE 49 1HE PHE 49 -10.513 -0.876 -2.920
419 HZ PHE 49 HZ PHE 49 -8.329 0.231 -2.600
420 H LYS 50 H LYS 50 -11.637 -2.576 4.769
421 HA LYS 50 HA LYS 50 -14.489 -3.143 4.799
422 HB2 LYS 50 2HB LYS 50 -12.876 -4.593 5.919
423 HB3 LYS 50 3HB LYS 50 -12.381 -3.276 6.984
424 HG2 LYS 50 2HG LYS 50 -14.726 -3.209 7.928
425 HG3 LYS 50 3HG LYS 50 -15.127 -4.572 6.885
426 HD2 LYS 50 2HD LYS 50 -14.701 -5.370 9.113
427 HD3 LYS 50 3HD LYS 50 -13.455 -5.965 8.021
428 HE2 LYS 50 2HE LYS 50 -12.413 -5.328 10.080
429 HE3 LYS 50 3HE LYS 50 -11.899 -4.203 8.821
430 HZ1 LYS 50 3HZ LYS 50 -12.533 -3.157 10.997
431 HZ2 LYS 50 1HZ LYS 50 -14.081 -3.593 10.752
432 HZ3 LYS 50 2HZ LYS 50 -13.341 -2.517 9.748
433 H ASN 51 H ASN 51 -12.504 -0.770 6.647
434 HA ASN 51 HA ASN 51 -14.748 0.395 7.990
435 HB2 ASN 51 2HB ASN 51 -11.986 1.503 7.352
436 HB3 ASN 51 3HB ASN 51 -13.111 2.206 8.513
437 HD21 ASN 51 1HD2 ASN 51 -10.514 1.334 9.119
438 HD22 ASN 51 2HD2 ASN 51 -10.670 0.041 10.305
439 H ARG 52 H ARG 52 -13.209 1.209 4.879
440 HA ARG 52 HA ARG 52 -14.900 3.455 4.294
441 HB2 ARG 52 2HB ARG 52 -12.631 2.446 3.171
442 HB3 ARG 52 3HB ARG 52 -13.783 1.724 2.075
443 HG2 ARG 52 2HG ARG 52 -12.946 3.843 1.200
444 HG3 ARG 52 3HG ARG 52 -14.672 3.977 1.516
445 HD2 ARG 52 2HD ARG 52 -13.239 5.977 2.191
446 HD3 ARG 52 3HD ARG 52 -14.341 5.345 3.420
447 HE ARG 52 HE ARG 52 -11.520 4.399 3.414
448 HH11 ARG 52 2HH1 ARG 52 -13.759 6.600 4.949
449 HH12 ARG 52 1HH1 ARG 52 -12.878 6.600 6.451
450 HH21 ARG 52 2HH2 ARG 52 -10.466 4.404 5.369
451 HH22 ARG 52 1HH2 ARG 52 -11.055 5.395 6.671
452 H ARG 53 H ARG 53 -15.324 -0.009 3.532
453 HA ARG 53 HA ARG 53 -17.828 0.218 2.153
454 HB2 ARG 53 2HB ARG 53 -16.537 -1.942 3.842
455 HB3 ARG 53 3HB ARG 53 -18.196 -2.136 3.274
456 HG2 ARG 53 2HG ARG 53 -17.588 -2.075 1.002
457 HG3 ARG 53 3HG ARG 53 -15.966 -1.439 1.343
458 HD2 ARG 53 2HD ARG 53 -15.212 -3.503 2.259
459 HD3 ARG 53 3HD ARG 53 -16.857 -4.091 2.494
460 HE ARG 53 HE ARG 53 -16.803 -5.005 0.404
461 HH11 ARG 53 2HH1 ARG 53 -14.448 -2.386 0.265
462 HH12 ARG 53 1HH1 ARG 53 -14.181 -2.673 -1.454
463 HH21 ARG 53 2HH2 ARG 53 -16.334 -5.249 -1.768
464 HH22 ARG 53 1HH2 ARG 53 -15.166 -4.160 -2.500
465 H ALA 54 H ALA 54 -17.179 0.002 5.668
466 HA ALA 54 HA ALA 54 -19.902 0.194 6.476
467 HB1 ALA 54 1HB ALA 54 -18.047 -0.374 7.998
468 HB2 ALA 54 2HB ALA 54 -17.459 1.302 7.909
469 HB3 ALA 54 3HB ALA 54 -19.041 0.957 8.627
470 H LYS 55 H LYS 55 -17.630 2.873 5.628
471 HA LYS 55 HA LYS 55 -19.531 5.000 6.180
472 HB2 LYS 55 2HB LYS 55 -16.913 4.800 4.663
473 HB3 LYS 55 3HB LYS 55 -17.981 6.127 4.279
474 HG2 LYS 55 2HG LYS 55 -16.549 7.038 5.796
475 HG3 LYS 55 3HG LYS 55 -18.013 6.771 6.726
476 HD2 LYS 55 2HD LYS 55 -15.659 4.845 6.745
477 HD3 LYS 55 3HD LYS 55 -15.728 6.251 7.803
478 HE2 LYS 55 2HE LYS 55 -17.685 5.481 8.944
479 HE3 LYS 55 3HE LYS 55 -17.945 4.178 7.784
480 HZ1 LYS 55 3HZ LYS 55 -15.875 3.168 8.510
481 HZ2 LYS 55 1HZ LYS 55 -16.873 3.356 9.804
482 HZ3 LYS 55 2HZ LYS 55 -15.607 4.366 9.602
483 H TRP 56 H TRP 56 -18.879 3.090 3.250
484 HA TRP 56 HA TRP 56 -20.705 4.456 1.504
485 HB2 TRP 56 2HB TRP 56 -19.265 3.068 0.364
486 HB3 TRP 56 3HB TRP 56 -19.340 1.798 1.563
487 HD1 TRP 56 1HD TRP 56 -21.914 3.324 -0.882
488 HE1 TRP 56 1HE TRP 56 -23.314 1.388 -1.935
489 HE3 TRP 56 3HE TRP 56 -19.808 -0.646 1.537
490 HZ2 TRP 56 2HZ TRP 56 -23.449 -1.446 -1.756
491 HZ3 TRP 56 3HZ TRP 56 -20.589 -2.963 1.090
492 HH2 TRP 56 2HH TRP 56 -22.403 -3.377 -0.558
493 H ARG 57 H ARG 57 -21.227 1.581 3.585
494 HA ARG 57 HA ARG 57 -23.895 1.096 2.828
495 HB2 ARG 57 2HB ARG 57 -22.278 0.472 5.323
496 HB3 ARG 57 3HB ARG 57 -23.962 -0.063 5.180
497 HG2 ARG 57 2HG ARG 57 -23.453 -1.368 3.185
498 HG3 ARG 57 3HG ARG 57 -21.821 -0.702 3.123
499 HD2 ARG 57 2HD ARG 57 -21.662 -2.905 4.034
500 HD3 ARG 57 3HD ARG 57 -21.303 -1.731 5.315
501 HE ARG 57 HE ARG 57 -24.102 -2.438 5.336
502 HH11 ARG 57 2HH2 ARG 57 -21.021 -3.836 6.248
503 HH12 ARG 57 1HH2 ARG 57 -21.740 -4.844 7.474
504 HH21 ARG 57 2HH1 ARG 57 -24.950 -3.745 6.919
505 HH22 ARG 57 1HH1 ARG 57 -23.907 -4.792 7.834
506 H LYS 58 H LYS 58 -22.832 3.528 5.116
507 HA LYS 58 HA LYS 58 -25.486 4.149 6.186
508 HB2 LYS 58 2HB LYS 58 -22.817 5.590 6.129
509 HB3 LYS 58 3HB LYS 58 -24.276 6.485 6.510
510 HG2 LYS 58 2HG LYS 58 -23.417 5.875 8.581
511 HG3 LYS 58 3HG LYS 58 -24.816 4.832 8.318
512 HD2 LYS 58 2HD LYS 58 -23.263 2.963 7.675
513 HD3 LYS 58 3HD LYS 58 -21.900 4.080 7.881
514 HE2 LYS 58 2HE LYS 58 -21.992 2.721 9.822
515 HE3 LYS 58 3HE LYS 58 -22.471 4.361 10.268
516 HZ1 LYS 58 3HZ LYS 58 -24.356 2.106 9.787
517 HZ2 LYS 58 1HZ LYS 58 -24.797 3.616 10.238
518 HZ3 LYS 58 2HZ LYS 58 -23.937 2.678 11.254
519 H ARG 59 H ARG 59 -23.982 4.823 3.156
520 HA ARG 59 HA ARG 59 -25.898 7.035 2.479
521 HB2 ARG 59 2HB ARG 59 -23.100 6.403 1.449
522 HB3 ARG 59 3HB ARG 59 -24.109 7.765 0.934
523 HG2 ARG 59 2HG ARG 59 -24.018 8.785 3.114
524 HG3 ARG 59 3HG ARG 59 -23.199 7.382 3.819
525 HD2 ARG 59 2HD ARG 59 -21.224 7.753 2.425
526 HD3 ARG 59 3HD ARG 59 -22.034 9.078 1.587
527 HE ARG 59 HE ARG 59 -21.573 10.499 3.330
528 HH11 ARG 59 2HH2 ARG 59 -20.972 7.254 4.593
529 HH12 ARG 59 1HH2 ARG 59 -20.386 7.899 6.105
530 HH21 ARG 59 2HH1 ARG 59 -20.765 11.193 5.254
531 HH22 ARG 59 1HH1 ARG 59 -20.233 10.049 6.449
532 H GLU 60 H GLU 60 -24.723 3.933 1.429
533 HA GLU 60 HA GLU 60 -25.243 2.505 -0.221
534 HB2 GLU 60 2HB GLU 60 -27.972 3.822 -0.150
535 HB3 GLU 60 3HB GLU 60 -27.580 2.243 -0.845
536 HG2 GLU 60 2HG GLU 60 -26.790 1.470 1.398
537 HG3 GLU 60 3HG GLU 60 -27.302 3.009 2.093
538 H GLU 61 H GLU 61 -23.811 4.701 -1.085
539 HA GLU 61 HA GLU 61 -24.814 5.904 -3.486
540 HB2 GLU 61 2HB GLU 61 -21.957 5.481 -2.514
541 HB3 GLU 61 3HB GLU 61 -22.406 6.471 -3.907
542 HG2 GLU 61 2HG GLU 61 -23.837 7.887 -2.428
543 HG3 GLU 61 3HG GLU 61 -23.312 6.930 -1.041
544 H PHE 62 H PHE 62 -22.804 3.016 -3.051
545 HA PHE 62 HA PHE 62 -23.101 2.272 -5.924
546 HB2 PHE 62 2HB PHE 62 -20.827 2.151 -5.199
547 HB3 PHE 62 3HB PHE 62 -21.257 1.302 -3.723
548 HD1 PHE 62 1HD PHE 62 -21.331 0.929 -7.468
549 HD2 PHE 62 2HD PHE 62 -21.241 -1.059 -3.639
550 HE1 PHE 62 1HE PHE 62 -21.073 -1.265 -8.607
551 HE2 PHE 62 2HE PHE 62 -20.964 -3.243 -4.780
552 HZ PHE 62 HZ PHE 62 -20.891 -3.353 -7.267
553 H ILE 63 H ILE 63 -24.113 0.360 -6.505
554 HA ILE 63 HA ILE 63 -25.511 -1.271 -4.467
555 HB ILE 63 HB ILE 63 -26.944 0.072 -6.789
556 HG12 ILE 63 2HG1 ILE 63 -27.192 0.430 -3.764
557 HG13 ILE 63 3HG1 ILE 63 -26.594 1.623 -4.922
558 HG21 ILE 63 1HG2 ILE 63 -28.959 -1.102 -5.965
559 HG22 ILE 63 2HG2 ILE 63 -27.735 -2.259 -6.425
560 HG23 ILE 63 3HG2 ILE 63 -27.996 -1.900 -4.702
561 HD11 ILE 63 3HD1 ILE 63 -29.446 0.668 -4.640
562 HD12 ILE 63 1HD1 ILE 63 -28.852 1.675 -5.991
563 HD13 ILE 63 2HD1 ILE 63 -28.777 2.275 -4.320
564 H VAL 64 H VAL 64 -25.426 -3.392 -4.990
565 HA VAL 64 HA VAL 64 -23.964 -4.258 -7.369
566 HB VAL 64 HB VAL 64 -25.327 -5.903 -5.209
567 HG11 VAL 64 1HG1 VAL 64 -23.749 -7.698 -5.952
568 HG12 VAL 64 2HG1 VAL 64 -24.939 -7.284 -7.179
569 HG13 VAL 64 3HG1 VAL 64 -23.268 -6.679 -7.325
570 HG21 VAL 64 3HG2 VAL 64 -22.401 -5.079 -5.521
571 HG22 VAL 64 1HG2 VAL 64 -23.512 -4.472 -4.274
572 HG23 VAL 64 2HG2 VAL 64 -23.043 -6.173 -4.276
573 H THR 65 H THR 65 -24.781 -4.970 -9.253
574 HA THR 65 HA THR 65 -27.724 -5.099 -9.585
575 HB THR 65 HB THR 65 -27.189 -4.861 -12.010
576 HG1 THR 65 1HG THR 65 -25.065 -4.354 -12.557
577 HG21 THR 65 1HG2 THR 65 -27.605 -2.865 -10.574
578 HG22 THR 65 2HG2 THR 65 -26.493 -2.527 -11.912
579 HG23 THR 65 3HG2 THR 65 -25.859 -2.743 -10.265
580 H ASP 66 H ASP 66 -25.185 -7.292 -9.319
581 HA ASP 66 HA ASP 66 -26.039 -9.371 -11.134
582 HB2 ASP 66 2HB ASP 66 -23.735 -9.153 -10.316
583 HB3 ASP 66 3HB ASP 66 -24.265 -9.476 -8.670
Start of MODEL 13
1 H1 GLY -1 1H GLY -1 1.826 14.621 13.148
2 H2 GLY -1 2H GLY -1 2.346 15.954 12.346
3 H3 GLY -1 3H GLY -1 1.426 16.112 13.692
4 HA2 GLY -1 2HA GLY -1 4.162 15.011 13.599
5 HA3 GLY -1 3HA GLY -1 3.719 16.617 14.206
6 H SER 0 H SER 0 4.816 15.875 16.138
7 HA SER 0 HA SER 0 5.077 14.924 18.155
8 HB2 SER 0 2HB SER 0 3.326 15.436 19.773
9 HB3 SER 0 3HB SER 0 3.763 16.784 18.721
10 HG SER 0 HG SER 0 1.884 16.544 17.588
11 H GLN 1 H GLN 1 1.799 13.776 18.491
12 HA GLN 1 HA GLN 1 2.696 10.934 18.386
13 HB2 GLN 1 2HB GLN 1 1.376 12.272 20.786
14 HB3 GLN 1 3HB GLN 1 1.590 10.528 20.585
15 HG2 GLN 1 2HG GLN 1 4.063 10.854 20.492
16 HG3 GLN 1 3HG GLN 1 3.835 12.579 20.796
17 HE21 GLN 1 2HE2 GLN 1 5.443 11.492 22.587
18 HE22 GLN 1 1HE2 GLN 1 4.602 11.167 24.097
19 H ARG 2 H ARG 2 1.006 9.383 18.292
20 HA ARG 2 HA ARG 2 -1.299 10.249 16.706
21 HB2 ARG 2 2HB ARG 2 -0.344 7.518 17.679
22 HB3 ARG 2 3HB ARG 2 -1.745 7.760 16.630
23 HG2 ARG 2 2HG ARG 2 -0.341 8.821 14.920
24 HG3 ARG 2 3HG ARG 2 1.101 8.609 15.928
25 HD2 ARG 2 2HD ARG 2 0.895 6.191 15.852
26 HD3 ARG 2 3HD ARG 2 -0.646 6.282 15.008
27 HE ARG 2 HE ARG 2 2.016 6.526 13.859
28 HH11 ARG 2 2HH1 ARG 2 -1.327 7.430 13.280
29 HH12 ARG 2 1HH1 ARG 2 -1.045 7.699 11.570
30 HH21 ARG 2 2HH2 ARG 2 2.271 6.831 11.663
31 HH22 ARG 2 1HH2 ARG 2 0.910 7.339 10.702
32 H ARG 3 H ARG 3 -0.921 9.575 20.067
33 HA ARG 3 HA ARG 3 -2.325 9.094 21.815
34 HB2 ARG 3 2HB ARG 3 -4.085 11.102 20.348
35 HB3 ARG 3 3HB ARG 3 -4.380 10.510 21.977
36 HG2 ARG 3 2HG ARG 3 -3.333 12.477 22.408
37 HG3 ARG 3 3HG ARG 3 -2.011 11.310 22.564
38 HD2 ARG 3 2HD ARG 3 -1.146 11.941 20.381
39 HD3 ARG 3 3HD ARG 3 -2.571 12.947 20.053
40 HE ARG 3 HE ARG 3 -1.305 13.851 22.452
41 HH11 ARG 3 2HH1 ARG 3 -0.637 13.844 19.002
42 HH12 ARG 3 1HH1 ARG 3 0.290 15.325 19.103
43 HH21 ARG 3 2HH2 ARG 3 -0.093 15.740 22.472
44 HH22 ARG 3 1HH2 ARG 3 0.560 16.354 20.978
45 H GLN 4 H GLN 4 -2.436 7.243 19.703
46 HA GLN 4 HA GLN 4 -3.525 5.519 18.758
47 HB2 GLN 4 2HB GLN 4 -5.093 5.419 21.357
48 HB3 GLN 4 3HB GLN 4 -4.879 4.098 20.210
49 HG2 GLN 4 2HG GLN 4 -2.713 5.399 21.902
50 HG3 GLN 4 3HG GLN 4 -3.374 3.782 22.086
51 HE21 GLN 4 2HE2 GLN 4 -0.568 5.062 21.252
52 HE22 GLN 4 1HE2 GLN 4 -0.129 4.033 19.895
53 H ARG 5 H ARG 5 -4.718 8.163 18.153
54 HA ARG 5 HA ARG 5 -7.589 7.552 17.705
55 HB2 ARG 5 2HB ARG 5 -6.049 10.015 16.816
56 HB3 ARG 5 3HB ARG 5 -7.794 9.828 16.960
57 HG2 ARG 5 2HG ARG 5 -5.765 9.946 19.213
58 HG3 ARG 5 3HG ARG 5 -6.938 11.182 18.790
59 HD2 ARG 5 2HD ARG 5 -8.787 9.817 19.561
60 HD3 ARG 5 3HD ARG 5 -7.756 8.396 19.706
61 HE ARG 5 HE ARG 5 -6.698 9.217 21.602
62 HH11 ARG 5 2HH1 ARG 5 -9.123 11.550 20.598
63 HH12 ARG 5 1HH1 ARG 5 -9.108 12.364 22.139
64 HH21 ARG 5 2HH2 ARG 5 -6.779 10.262 23.553
65 HH22 ARG 5 1HH2 ARG 5 -7.802 11.654 23.764
66 H THR 6 H THR 6 -4.680 7.889 15.746
67 HA THR 6 HA THR 6 -6.051 6.633 13.415
68 HB THR 6 HB THR 6 -4.386 9.181 13.241
69 HG1 THR 6 1HG THR 6 -6.318 10.148 12.654
70 HG21 THR 6 1HG2 THR 6 -4.135 7.859 11.200
71 HG22 THR 6 2HG2 THR 6 -5.205 9.218 10.870
72 HG23 THR 6 3HG2 THR 6 -5.896 7.597 11.107
73 H HIS 7 H HIS 7 -4.797 5.123 12.468
74 HA HIS 7 HA HIS 7 -1.926 4.890 13.280
75 HB2 HIS 7 2HB HIS 7 -3.964 2.755 12.586
76 HB3 HIS 7 3HB HIS 7 -2.282 2.465 13.028
77 HD2 HIS 7 2HD HIS 7 -1.540 2.898 15.591
78 HE1 HIS 7 1HE HIS 7 -5.465 3.337 17.203
79 HE2 HIS 7 2HE HIS 7 -2.998 3.025 17.783
80 H PHE 8 H PHE 8 -3.535 5.854 10.616
81 HA PHE 8 HA PHE 8 -1.471 4.875 8.666
82 HB2 PHE 8 2HB PHE 8 -4.199 6.128 8.254
83 HB3 PHE 8 3HB PHE 8 -3.038 5.812 6.975
84 HD1 PHE 8 2HD PHE 8 -5.311 4.186 9.439
85 HD2 PHE 8 1HD PHE 8 -2.691 3.612 6.063
86 HE1 PHE 8 2HE PHE 8 -6.189 1.882 9.148
87 HE2 PHE 8 1HE PHE 8 -3.599 1.324 5.752
88 HZ PHE 8 HZ PHE 8 -5.342 0.450 7.301
89 H THR 9 H THR 9 -0.835 6.663 7.078
90 HA THR 9 HA THR 9 -0.380 9.248 8.527
91 HB THR 9 HB THR 9 1.359 9.796 7.121
92 HG1 THR 9 1HG THR 9 1.873 8.592 5.265
93 HG21 THR 9 1HG2 THR 9 1.681 6.787 7.403
94 HG22 THR 9 2HG2 THR 9 2.030 7.984 8.672
95 HG23 THR 9 3HG2 THR 9 2.971 7.982 7.170
96 H SER 10 H SER 10 -0.800 11.247 7.438
97 HA SER 10 HA SER 10 -3.203 11.381 5.945
98 HB2 SER 10 2HB SER 10 -1.053 13.502 5.995
99 HB3 SER 10 3HB SER 10 -2.805 13.693 5.745
100 HG SER 10 HG SER 10 -2.178 14.221 7.894
101 H GLN 11 H GLN 11 -0.207 10.335 4.755
102 HA GLN 11 HA GLN 11 -0.837 11.113 1.950
103 HB2 GLN 11 2HB GLN 11 1.438 11.571 2.870
104 HB3 GLN 11 3HB GLN 11 1.676 9.827 3.075
105 HG2 GLN 11 2HG GLN 11 1.362 9.509 0.624
106 HG3 GLN 11 3HG GLN 11 1.067 11.240 0.437
107 HE21 GLN 11 2HE2 GLN 11 2.965 10.494 -1.192
108 HE22 GLN 11 1HE2 GLN 11 4.571 10.825 -0.554
109 H GLN 12 H GLN 12 -0.334 8.204 4.049
110 HA GLN 12 HA GLN 12 -0.618 6.199 2.026
111 HB2 GLN 12 2HB GLN 12 -1.356 6.230 4.980
112 HB3 GLN 12 3HB GLN 12 -1.430 4.779 3.963
113 HG2 GLN 12 2HG GLN 12 0.912 4.844 3.503
114 HG3 GLN 12 3HG GLN 12 1.125 6.359 4.367
115 HE21 GLN 12 2HE2 GLN 12 2.305 3.671 4.834
116 HE22 GLN 12 1HE2 GLN 12 1.938 3.294 6.513
117 H LEU 13 H LEU 13 -3.020 7.744 4.136
118 HA LEU 13 HA LEU 13 -5.401 6.533 3.274
119 HB2 LEU 13 2HB LEU 13 -4.839 9.409 4.095
120 HB3 LEU 13 3HB LEU 13 -6.449 8.694 4.002
121 HG LEU 13 HG LEU 13 -4.244 7.551 5.786
122 HD11 LEU 13 1HD1 LEU 13 -6.420 9.514 6.572
123 HD12 LEU 13 2HD1 LEU 13 -5.234 8.726 7.653
124 HD13 LEU 13 3HD1 LEU 13 -4.682 9.875 6.431
125 HD21 LEU 13 3HD2 LEU 13 -5.971 5.961 5.365
126 HD22 LEU 13 1HD2 LEU 13 -6.153 6.565 7.011
127 HD23 LEU 13 2HD2 LEU 13 -7.244 7.166 5.741
128 H GLN 14 H GLN 14 -3.565 9.042 1.571
129 HA GLN 14 HA GLN 14 -5.683 9.738 -0.297
130 HB2 GLN 14 2HB GLN 14 -2.708 10.113 -0.754
131 HB3 GLN 14 3HB GLN 14 -4.041 10.978 -1.506
132 HG2 GLN 14 2HG GLN 14 -3.119 11.128 1.368
133 HG3 GLN 14 3HG GLN 14 -2.924 12.378 0.153
134 HE21 GLN 14 2HE2 GLN 14 -4.246 12.437 2.812
135 HE22 GLN 14 1HE2 GLN 14 -5.894 13.007 2.494
136 H GLU 15 H GLU 15 -2.904 7.486 -0.349
137 HA GLU 15 HA GLU 15 -3.364 6.634 -3.099
138 HB2 GLU 15 2HB GLU 15 -1.808 5.210 -0.913
139 HB3 GLU 15 3HB GLU 15 -1.699 4.935 -2.649
140 HG2 GLU 15 2HG GLU 15 -0.781 7.364 -1.078
141 HG3 GLU 15 3HG GLU 15 0.217 6.217 -1.943
142 H LEU 16 H LEU 16 -4.476 5.524 0.073
143 HA LEU 16 HA LEU 16 -5.750 3.109 -0.842
144 HB2 LEU 16 2HB LEU 16 -6.108 4.927 1.564
145 HB3 LEU 16 3HB LEU 16 -7.042 3.457 1.343
146 HG LEU 16 HG LEU 16 -4.009 3.329 1.236
147 HD11 LEU 16 1HD1 LEU 16 -3.989 2.825 3.628
148 HD12 LEU 16 2HD1 LEU 16 -4.558 4.473 3.325
149 HD13 LEU 16 3HD1 LEU 16 -5.721 3.193 3.733
150 HD21 LEU 16 3HD2 LEU 16 -6.178 1.348 2.046
151 HD22 LEU 16 1HD2 LEU 16 -5.272 1.352 0.515
152 HD23 LEU 16 2HD2 LEU 16 -4.428 1.036 2.043
153 H GLU 17 H GLU 17 -7.166 6.407 -0.188
154 HA GLU 17 HA GLU 17 -9.675 5.609 -1.347
155 HB2 GLU 17 2HB GLU 17 -10.444 7.785 -1.092
156 HB3 GLU 17 3HB GLU 17 -9.418 7.457 0.299
157 HG2 GLU 17 2HG GLU 17 -7.604 8.794 -0.725
158 HG3 GLU 17 3HG GLU 17 -8.592 9.075 -2.154
159 H ALA 18 H ALA 18 -6.783 6.840 -2.921
160 HA ALA 18 HA ALA 18 -8.119 7.362 -5.456
161 HB1 ALA 18 1HB ALA 18 -5.822 7.533 -6.329
162 HB2 ALA 18 2HB ALA 18 -6.029 8.489 -4.850
163 HB3 ALA 18 3HB ALA 18 -5.179 6.927 -4.789
164 H THR 19 H THR 19 -6.167 4.571 -4.186
165 HA THR 19 HA THR 19 -6.498 3.094 -6.622
166 HB THR 19 HB THR 19 -4.687 2.890 -4.831
167 HG1 THR 19 1HG THR 19 -4.221 0.927 -5.626
168 HG21 THR 19 1HG2 THR 19 -6.378 0.570 -3.872
169 HG22 THR 19 2HG2 THR 19 -6.403 2.137 -3.026
170 HG23 THR 19 3HG2 THR 19 -4.892 1.259 -3.161
171 H PHE 20 H PHE 20 -8.497 3.373 -3.767
172 HA PHE 20 HA PHE 20 -10.334 1.253 -4.172
173 HB2 PHE 20 2HB PHE 20 -10.239 2.542 -2.144
174 HB3 PHE 20 3HB PHE 20 -10.563 4.036 -3.001
175 HD1 PHE 20 1HD PHE 20 -12.288 0.659 -2.821
176 HD2 PHE 20 2HD PHE 20 -12.615 4.936 -2.399
177 HE1 PHE 20 1HE PHE 20 -14.689 0.417 -2.262
178 HE2 PHE 20 2HE PHE 20 -15.029 4.691 -1.871
179 HZ PHE 20 HZ PHE 20 -16.067 2.434 -1.787
180 H GLN 21 H GLN 21 -9.885 4.208 -6.068
181 HA GLN 21 HA GLN 21 -12.521 4.073 -7.308
182 HB2 GLN 21 2HB GLN 21 -10.044 5.519 -8.297
183 HB3 GLN 21 3HB GLN 21 -11.711 5.810 -8.798
184 HG2 GLN 21 2HG GLN 21 -10.367 6.488 -6.178
185 HG3 GLN 21 3HG GLN 21 -11.083 7.590 -7.337
186 HE21 GLN 21 2HE2 GLN 21 -11.557 6.562 -4.330
187 HE22 GLN 21 1HE2 GLN 21 -13.327 6.505 -4.289
188 H ARG 22 H ARG 22 -9.275 2.919 -8.187
189 HA ARG 22 HA ARG 22 -10.181 1.842 -10.791
190 HB2 ARG 22 2HB ARG 22 -7.869 1.048 -11.051
191 HB3 ARG 22 3HB ARG 22 -7.960 2.780 -10.732
192 HG2 ARG 22 2HG ARG 22 -7.309 2.463 -8.437
193 HG3 ARG 22 3HG ARG 22 -7.307 0.699 -8.588
194 HD2 ARG 22 2HD ARG 22 -5.504 2.511 -10.229
195 HD3 ARG 22 3HD ARG 22 -5.055 1.933 -8.633
196 HE ARG 22 HE ARG 22 -5.285 0.324 -11.110
197 HH11 ARG 22 2HH1 ARG 22 -4.660 0.139 -7.615
198 HH12 ARG 22 1HH1 ARG 22 -3.670 -1.309 -7.872
199 HH21 ARG 22 2HH2 ARG 22 -4.064 -1.585 -11.170
200 HH22 ARG 22 1HH2 ARG 22 -3.395 -2.183 -9.650
201 H ASN 23 H ASN 23 -9.753 0.660 -7.538
202 HA ASN 23 HA ASN 23 -10.766 -2.010 -8.392
203 HB2 ASN 23 2HB ASN 23 -8.251 -1.980 -8.150
204 HB3 ASN 23 3HB ASN 23 -8.451 -1.520 -6.453
205 HD21 ASN 23 1HD2 ASN 23 -7.097 -3.853 -7.165
206 HD22 ASN 23 2HD2 ASN 23 -8.082 -5.248 -6.750
207 H HIS 24 H HIS 24 -12.720 -2.115 -7.440
208 HA HIS 24 HA HIS 24 -13.196 -0.887 -4.776
209 HB2 HIS 24 2HB HIS 24 -15.041 -2.055 -6.886
210 HB3 HIS 24 3HB HIS 24 -15.584 -1.487 -5.315
211 HD2 HIS 24 2HD HIS 24 -13.447 0.159 -8.209
212 HE1 HIS 24 1HE HIS 24 -16.278 3.019 -6.823
213 HE2 HIS 24 2HE HIS 24 -14.398 2.573 -8.494
214 H TYR 25 H TYR 25 -11.968 -3.791 -5.712
215 HA TYR 25 HA TYR 25 -12.986 -5.311 -3.398
216 HB2 TYR 25 2HB TYR 25 -13.642 -7.204 -5.012
217 HB3 TYR 25 3HB TYR 25 -14.701 -5.832 -4.890
218 HD1 TYR 25 2HD TYR 25 -12.180 -7.440 -7.141
219 HD2 TYR 25 1HD TYR 25 -15.253 -4.440 -6.727
220 HE1 TYR 25 2HE TYR 25 -12.144 -7.058 -9.597
221 HE2 TYR 25 1HE TYR 25 -15.213 -4.058 -9.184
222 HH TYR 25 HH TYR 25 -14.272 -4.652 -11.189
223 HA PRO 26 HA PRO 26 -8.609 -6.159 -4.945
224 HB2 PRO 26 2HB PRO 26 -7.014 -5.217 -2.968
225 HB3 PRO 26 3HB PRO 26 -7.682 -4.173 -4.244
226 HG2 PRO 26 2HG PRO 26 -8.816 -4.652 -1.470
227 HG3 PRO 26 3HG PRO 26 -8.467 -3.080 -2.260
228 HD2 PRO 26 2HD PRO 26 -10.978 -4.147 -2.316
229 HD3 PRO 26 3HD PRO 26 -10.305 -3.308 -3.748
230 H ASP 27 H ASP 27 -7.233 -7.722 -4.348
231 HA ASP 27 HA ASP 27 -8.241 -9.744 -2.371
232 HB2 ASP 27 2HB ASP 27 -8.719 -10.170 -4.805
233 HB3 ASP 27 3HB ASP 27 -6.979 -10.204 -5.094
234 H MET 28 H MET 28 -6.328 -11.528 -2.130
235 HA MET 28 HA MET 28 -4.279 -10.362 -0.608
236 HB2 MET 28 2HB MET 28 -3.175 -12.504 -0.635
237 HB3 MET 28 3HB MET 28 -4.913 -12.748 -0.492
238 HG2 MET 28 2HG MET 28 -5.099 -13.444 -2.789
239 HG3 MET 28 3HG MET 28 -3.474 -12.922 -3.175
240 HE1 MET 28 3HE MET 28 -1.381 -14.068 -2.951
241 HE2 MET 28 1HE MET 28 -1.439 -13.956 -1.181
242 HE3 MET 28 2HE MET 28 -1.066 -15.510 -1.956
243 H SER 29 H SER 29 -4.288 -10.712 -4.094
244 HA SER 29 HA SER 29 -1.400 -10.190 -4.347
245 HB2 SER 29 2HB SER 29 -2.548 -11.750 -5.876
246 HB3 SER 29 3HB SER 29 -3.549 -10.418 -6.486
247 HG SER 29 HG SER 29 -1.678 -10.842 -7.790
248 H THR 30 H THR 30 -4.500 -8.457 -5.044
249 HA THR 30 HA THR 30 -3.099 -6.067 -5.955
250 HB THR 30 HB THR 30 -5.590 -5.165 -5.757
251 HG1 THR 30 1HG THR 30 -6.263 -7.704 -6.526
252 HG21 THR 30 1HG2 THR 30 -5.966 -6.022 -8.076
253 HG22 THR 30 2HG2 THR 30 -4.577 -7.117 -7.874
254 HG23 THR 30 3HG2 THR 30 -4.339 -5.358 -7.854
255 H ARG 31 H ARG 31 -4.718 -6.966 -2.890
256 HA ARG 31 HA ARG 31 -4.378 -4.445 -1.592
257 HB2 ARG 31 2HB ARG 31 -4.274 -7.305 -0.536
258 HB3 ARG 31 3HB ARG 31 -4.239 -5.878 0.510
259 HG2 ARG 31 2HG ARG 31 -6.424 -5.134 -0.531
260 HG3 ARG 31 3HG ARG 31 -6.521 -6.710 -1.324
261 HD2 ARG 31 2HD ARG 31 -6.350 -6.234 1.661
262 HD3 ARG 31 3HD ARG 31 -7.839 -6.572 0.779
263 HE ARG 31 HE ARG 31 -5.620 -8.475 1.393
264 HH11 ARG 31 2HH1 ARG 31 -8.750 -8.235 -0.264
265 HH12 ARG 31 1HH1 ARG 31 -9.069 -9.912 0.066
266 HH21 ARG 31 2HH2 ARG 31 -5.995 -10.461 1.534
267 HH22 ARG 31 1HH2 ARG 31 -7.482 -11.217 0.944
268 H GLU 32 H GLU 32 -2.074 -7.193 -1.866
269 HA GLU 32 HA GLU 32 0.107 -5.861 -0.553
270 HB2 GLU 32 2HB GLU 32 0.022 -8.072 -2.640
271 HB3 GLU 32 3HB GLU 32 1.531 -7.425 -1.979
272 HG2 GLU 32 2HG GLU 32 0.801 -7.989 0.304
273 HG3 GLU 32 3HG GLU 32 -0.693 -8.675 -0.330
274 H GLU 33 H GLU 33 -0.867 -5.909 -4.010
275 HA GLU 33 HA GLU 33 1.288 -4.526 -5.111
276 HB2 GLU 33 2HB GLU 33 -0.572 -5.505 -6.443
277 HB3 GLU 33 3HB GLU 33 -1.663 -4.264 -5.835
278 HG2 GLU 33 2HG GLU 33 -0.226 -2.517 -6.974
279 HG3 GLU 33 3HG GLU 33 0.639 -3.848 -7.742
280 H ILE 34 H ILE 34 -1.493 -2.996 -3.429
281 HA ILE 34 HA ILE 34 -0.349 -0.329 -3.910
282 HB ILE 34 HB ILE 34 -2.260 0.618 -3.181
283 HG12 ILE 34 2HG1 ILE 34 -4.044 -0.805 -1.824
284 HG13 ILE 34 3HG1 ILE 34 -2.624 -1.687 -1.285
285 HG21 ILE 34 1HG2 ILE 34 -2.673 -0.942 -5.125
286 HG22 ILE 34 2HG2 ILE 34 -3.352 -2.104 -3.957
287 HG23 ILE 34 3HG2 ILE 34 -4.126 -0.566 -4.180
288 HD11 ILE 34 3HD1 ILE 34 -3.243 0.106 0.278
289 HD12 ILE 34 1HD1 ILE 34 -3.135 1.322 -1.009
290 HD13 ILE 34 2HD1 ILE 34 -1.679 0.501 -0.412
291 H ALA 35 H ALA 35 -0.324 -2.696 -1.310
292 HA ALA 35 HA ALA 35 0.498 -0.915 0.791
293 HB1 ALA 35 1HB ALA 35 -0.655 -3.062 1.173
294 HB2 ALA 35 2HB ALA 35 0.739 -3.937 0.498
295 HB3 ALA 35 3HB ALA 35 0.903 -3.025 2.003
296 H VAL 36 H VAL 36 2.183 -2.700 -1.662
297 HA VAL 36 HA VAL 36 4.724 -3.038 -0.567
298 HB VAL 36 HB VAL 36 3.409 -3.090 -3.251
299 HG11 VAL 36 1HG1 VAL 36 5.426 -1.999 -3.996
300 HG12 VAL 36 2HG1 VAL 36 6.430 -3.211 -3.148
301 HG13 VAL 36 3HG1 VAL 36 5.378 -3.683 -4.508
302 HG21 VAL 36 3HG2 VAL 36 4.122 -5.375 -3.236
303 HG22 VAL 36 1HG2 VAL 36 5.280 -5.080 -1.912
304 HG23 VAL 36 2HG2 VAL 36 3.535 -5.008 -1.610
305 H TRP 37 H TRP 37 3.495 -0.125 -2.122
306 HA TRP 37 HA TRP 37 6.155 1.173 -1.720
307 HB2 TRP 37 2HB TRP 37 5.395 2.733 -3.544
308 HB3 TRP 37 3HB TRP 37 5.797 1.101 -4.020
309 HD1 TRP 37 1HD TRP 37 3.835 -0.540 -4.725
310 HE1 TRP 37 1HE TRP 37 1.444 -0.212 -5.448
311 HE3 TRP 37 3HE TRP 37 3.377 4.397 -3.536
312 HZ2 TRP 37 2HZ TRP 37 -0.474 2.007 -5.627
313 HZ3 TRP 37 3HZ TRP 37 1.256 5.619 -4.021
314 HH2 TRP 37 2HH TRP 37 -0.675 4.431 -5.029
315 H THR 38 H THR 38 3.394 0.944 -0.120
316 HA THR 38 HA THR 38 3.344 3.833 0.695
317 HB THR 38 HB THR 38 1.029 3.452 1.459
318 HG1 THR 38 1HG THR 38 0.855 1.185 -0.106
319 HG21 THR 38 1HG2 THR 38 1.438 4.379 -0.799
320 HG22 THR 38 2HG2 THR 38 0.000 3.335 -0.794
321 HG23 THR 38 3HG2 THR 38 1.533 2.745 -1.478
322 H ASN 39 H ASN 39 4.756 1.135 1.718
323 HA ASN 39 HA ASN 39 5.468 0.276 3.673
324 HB2 ASN 39 2HB ASN 39 6.144 2.794 3.801
325 HB3 ASN 39 3HB ASN 39 4.915 2.899 5.054
326 HD21 ASN 39 1HD2 ASN 39 5.175 1.122 6.834
327 HD22 ASN 39 2HD2 ASN 39 6.842 0.844 7.359
328 H LEU 40 H LEU 40 2.920 -0.405 3.063
329 HA LEU 40 HA LEU 40 1.619 -0.832 5.735
330 HB2 LEU 40 2HB LEU 40 0.400 -0.662 2.951
331 HB3 LEU 40 3HB LEU 40 -0.492 -1.162 4.372
332 HG LEU 40 HG LEU 40 0.727 1.597 3.948
333 HD11 LEU 40 1HD1 LEU 40 -2.161 0.617 3.898
334 HD12 LEU 40 2HD1 LEU 40 -1.616 2.305 3.735
335 HD13 LEU 40 3HD1 LEU 40 -1.201 1.120 2.489
336 HD21 LEU 40 3HD2 LEU 40 0.640 1.046 6.336
337 HD22 LEU 40 1HD2 LEU 40 -0.645 2.192 5.947
338 HD23 LEU 40 2HD2 LEU 40 -1.038 0.479 6.169
339 H THR 41 H THR 41 0.134 -2.866 5.515
340 HA THR 41 HA THR 41 1.414 -5.055 3.953
341 HB THR 41 HB THR 41 2.147 -5.346 6.272
342 HG1 THR 41 1HG THR 41 1.498 -7.464 6.391
343 HG21 THR 41 1HG2 THR 41 0.528 -6.024 8.016
344 HG22 THR 41 2HG2 THR 41 -0.819 -5.608 6.938
345 HG23 THR 41 3HG2 THR 41 0.287 -4.343 7.525
346 H GLU 42 H GLU 42 -0.191 -6.874 3.566
347 HA GLU 42 HA GLU 42 -2.417 -5.687 2.269
348 HB2 GLU 42 2HB GLU 42 -2.908 -7.765 1.424
349 HB3 GLU 42 3HB GLU 42 -1.182 -7.801 1.707
350 HG2 GLU 42 2HG GLU 42 -1.782 -9.877 2.439
351 HG3 GLU 42 3HG GLU 42 -1.794 -8.995 3.962
352 H ALA 43 H ALA 43 -2.223 -7.086 5.469
353 HA ALA 43 HA ALA 43 -5.021 -7.246 6.031
354 HB1 ALA 43 1HB ALA 43 -3.285 -8.414 7.330
355 HB2 ALA 43 2HB ALA 43 -2.660 -6.857 7.923
356 HB3 ALA 43 3HB ALA 43 -4.291 -7.391 8.373
357 H ARG 44 H ARG 44 -2.716 -4.511 6.363
358 HA ARG 44 HA ARG 44 -4.548 -2.643 7.634
359 HB2 ARG 44 2HB ARG 44 -2.159 -2.223 5.773
360 HB3 ARG 44 3HB ARG 44 -3.065 -0.908 6.465
361 HG2 ARG 44 2HG ARG 44 -1.562 -2.974 8.123
362 HG3 ARG 44 3HG ARG 44 -0.974 -1.364 7.680
363 HD2 ARG 44 2HD ARG 44 -3.322 -0.607 8.725
364 HD3 ARG 44 3HD ARG 44 -3.178 -2.148 9.565
365 HE ARG 44 HE ARG 44 -1.204 -1.364 10.682
366 HH11 ARG 44 2HH1 ARG 44 -2.654 1.239 8.759
367 HH12 ARG 44 1HH1 ARG 44 -1.736 2.439 9.640
368 HH21 ARG 44 2HH2 ARG 44 -0.107 0.319 11.696
369 HH22 ARG 44 1HH2 ARG 44 -0.436 1.965 11.192
370 H VAL 45 H VAL 45 -3.802 -3.371 4.230
371 HA VAL 45 HA VAL 45 -5.657 -1.465 3.135
372 HB VAL 45 HB VAL 45 -4.739 -4.038 1.805
373 HG11 VAL 45 1HG1 VAL 45 -6.543 -2.839 0.603
374 HG12 VAL 45 2HG1 VAL 45 -5.599 -1.336 0.683
375 HG13 VAL 45 3HG1 VAL 45 -5.012 -2.711 -0.269
376 HG21 VAL 45 3HG2 VAL 45 -2.723 -2.927 2.536
377 HG22 VAL 45 1HG2 VAL 45 -2.927 -2.572 0.829
378 HG23 VAL 45 2HG2 VAL 45 -3.345 -1.341 2.041
379 H ARG 46 H ARG 46 -6.023 -4.975 3.865
380 HA ARG 46 HA ARG 46 -8.725 -5.289 3.070
381 HB2 ARG 46 2HB ARG 46 -6.991 -7.050 3.797
382 HB3 ARG 46 3HB ARG 46 -7.374 -6.611 5.462
383 HG2 ARG 46 2HG ARG 46 -9.837 -7.134 4.833
384 HG3 ARG 46 3HG ARG 46 -9.182 -7.875 3.367
385 HD2 ARG 46 2HD ARG 46 -8.492 -8.609 6.247
386 HD3 ARG 46 3HD ARG 46 -9.584 -9.504 5.194
387 HE ARG 46 HE ARG 46 -6.640 -9.171 4.611
388 HH11 ARG 46 2HH1 ARG 46 -9.371 -11.378 4.835
389 HH12 ARG 46 1HH1 ARG 46 -8.370 -12.752 4.454
390 HH21 ARG 46 2HH2 ARG 46 -5.475 -10.895 4.195
391 HH22 ARG 46 1HH2 ARG 46 -6.201 -12.493 4.094
392 H VAL 47 H VAL 47 -7.456 -4.334 6.278
393 HA VAL 47 HA VAL 47 -9.984 -3.911 7.555
394 HB VAL 47 HB VAL 47 -7.191 -2.840 8.091
395 HG11 VAL 47 1HG1 VAL 47 -8.692 -1.193 9.092
396 HG12 VAL 47 2HG1 VAL 47 -9.678 -2.487 9.817
397 HG13 VAL 47 3HG1 VAL 47 -8.005 -2.210 10.357
398 HG21 VAL 47 3HG2 VAL 47 -8.909 -4.863 9.597
399 HG22 VAL 47 1HG2 VAL 47 -7.657 -5.303 8.424
400 HG23 VAL 47 2HG2 VAL 47 -7.199 -4.455 9.901
401 H TRP 48 H TRP 48 -7.844 -1.569 5.831
402 HA TRP 48 HA TRP 48 -9.502 0.698 6.315
403 HB2 TRP 48 2HB TRP 48 -7.111 0.684 5.520
404 HB3 TRP 48 3HB TRP 48 -7.710 0.237 3.920
405 HD1 TRP 48 1HD TRP 48 -7.353 3.125 6.321
406 HE1 TRP 48 1HE TRP 48 -8.057 5.329 5.218
407 HE3 TRP 48 3HE TRP 48 -9.452 1.268 2.027
408 HZ2 TRP 48 2HZ TRP 48 -9.294 6.187 2.753
409 HZ3 TRP 48 3HZ TRP 48 -10.423 2.795 0.343
410 HH2 TRP 48 2HH TRP 48 -10.398 5.251 0.720
411 H PHE 49 H PHE 49 -9.418 -1.518 3.457
412 HA PHE 49 HA PHE 49 -11.579 -0.222 2.075
413 HB2 PHE 49 2HB PHE 49 -10.191 -2.894 1.857
414 HB3 PHE 49 3HB PHE 49 -11.694 -2.627 1.005
415 HD1 PHE 49 2HD PHE 49 -8.371 -0.840 1.477
416 HD2 PHE 49 1HD PHE 49 -11.653 -1.792 -1.161
417 HE1 PHE 49 2HE PHE 49 -7.232 0.340 -0.373
418 HE2 PHE 49 1HE PHE 49 -10.474 -0.660 -2.999
419 HZ PHE 49 HZ PHE 49 -8.288 0.439 -2.619
420 H LYS 50 H LYS 50 -11.570 -2.768 4.557
421 HA LYS 50 HA LYS 50 -14.401 -3.383 4.358
422 HB2 LYS 50 2HB LYS 50 -12.747 -4.864 5.445
423 HB3 LYS 50 3HB LYS 50 -12.516 -3.674 6.737
424 HG2 LYS 50 2HG LYS 50 -14.887 -3.933 7.412
425 HG3 LYS 50 3HG LYS 50 -15.173 -5.008 6.037
426 HD2 LYS 50 2HD LYS 50 -14.969 -6.333 8.031
427 HD3 LYS 50 3HD LYS 50 -13.569 -6.654 6.997
428 HE2 LYS 50 2HE LYS 50 -12.179 -5.147 8.388
429 HE3 LYS 50 3HE LYS 50 -13.589 -4.734 9.375
430 HZ1 LYS 50 3HZ LYS 50 -12.242 -6.456 10.437
431 HZ2 LYS 50 1HZ LYS 50 -12.408 -7.456 9.158
432 HZ3 LYS 50 2HZ LYS 50 -13.707 -7.067 10.068
433 H ASN 51 H ASN 51 -12.592 -1.080 6.426
434 HA ASN 51 HA ASN 51 -14.959 0.088 7.631
435 HB2 ASN 51 2HB ASN 51 -12.066 0.980 7.314
436 HB3 ASN 51 3HB ASN 51 -13.292 2.059 7.976
437 HD21 ASN 51 1HD2 ASN 51 -11.561 -0.989 8.544
438 HD22 ASN 51 2HD2 ASN 51 -11.982 -1.041 10.257
439 H ARG 52 H ARG 52 -13.152 0.878 4.631
440 HA ARG 52 HA ARG 52 -14.664 3.212 4.075
441 HB2 ARG 52 2HB ARG 52 -12.390 2.517 3.085
442 HB3 ARG 52 3HB ARG 52 -13.269 1.390 2.059
443 HG2 ARG 52 2HG ARG 52 -12.758 3.416 0.801
444 HG3 ARG 52 3HG ARG 52 -14.491 3.216 0.976
445 HD2 ARG 52 2HD ARG 52 -14.388 4.876 2.935
446 HD3 ARG 52 3HD ARG 52 -12.686 5.107 2.549
447 HE ARG 52 HE ARG 52 -13.318 6.484 0.807
448 HH11 ARG 52 2HH1 ARG 52 -16.205 4.556 1.562
449 HH12 ARG 52 1HH1 ARG 52 -17.174 5.580 0.503
450 HH21 ARG 52 2HH2 ARG 52 -14.746 7.743 -0.366
451 HH22 ARG 52 1HH2 ARG 52 -16.452 7.353 -0.347
452 H ARG 53 H ARG 53 -15.240 -0.122 3.068
453 HA ARG 53 HA ARG 53 -17.635 0.368 1.516
454 HB2 ARG 53 2HB ARG 53 -16.541 -2.025 3.042
455 HB3 ARG 53 3HB ARG 53 -18.088 -2.081 2.188
456 HG2 ARG 53 2HG ARG 53 -17.070 -1.636 0.065
457 HG3 ARG 53 3HG ARG 53 -15.484 -1.305 0.794
458 HD2 ARG 53 2HD ARG 53 -15.214 -3.576 1.499
459 HD3 ARG 53 3HD ARG 53 -16.922 -3.935 1.196
460 HE ARG 53 HE ARG 53 -15.301 -3.110 -1.150
461 HH11 ARG 53 2HH1 ARG 53 -16.640 -5.868 0.562
462 HH12 ARG 53 1HH1 ARG 53 -16.597 -6.873 -0.859
463 HH21 ARG 53 2HH2 ARG 53 -15.272 -4.422 -2.888
464 HH22 ARG 53 1HH2 ARG 53 -15.871 -6.066 -2.772
465 H ALA 54 H ALA 54 -17.124 -0.329 4.982
466 HA ALA 54 HA ALA 54 -19.887 -0.273 5.719
467 HB1 ALA 54 1HB ALA 54 -18.083 -1.151 7.166
468 HB2 ALA 54 2HB ALA 54 -17.463 0.499 7.401
469 HB3 ALA 54 3HB ALA 54 -19.072 0.063 8.000
470 H LYS 55 H LYS 55 -17.491 2.412 5.583
471 HA LYS 55 HA LYS 55 -19.373 4.480 6.330
472 HB2 LYS 55 2HB LYS 55 -16.668 4.530 4.916
473 HB3 LYS 55 3HB LYS 55 -17.575 5.994 5.319
474 HG2 LYS 55 2HG LYS 55 -17.535 5.458 7.694
475 HG3 LYS 55 3HG LYS 55 -16.728 3.918 7.387
476 HD2 LYS 55 2HD LYS 55 -14.765 5.120 6.455
477 HD3 LYS 55 3HD LYS 55 -15.577 6.673 6.764
478 HE2 LYS 55 2HE LYS 55 -15.694 6.103 9.194
479 HE3 LYS 55 3HE LYS 55 -14.844 4.586 8.872
480 HZ1 LYS 55 3HZ LYS 55 -12.939 5.907 8.091
481 HZ2 LYS 55 1HZ LYS 55 -13.314 6.316 9.625
482 HZ3 LYS 55 2HZ LYS 55 -13.730 7.304 8.398
483 H TRP 56 H TRP 56 -18.411 3.176 3.128
484 HA TRP 56 HA TRP 56 -19.829 5.025 1.494
485 HB2 TRP 56 2HB TRP 56 -18.430 3.570 0.328
486 HB3 TRP 56 3HB TRP 56 -18.928 2.175 1.259
487 HD1 TRP 56 1HD TRP 56 -20.764 4.572 -1.125
488 HE1 TRP 56 1HE TRP 56 -22.396 3.211 -2.601
489 HE3 TRP 56 3HE TRP 56 -19.750 -0.074 0.678
490 HZ2 TRP 56 2HZ TRP 56 -23.271 0.479 -2.804
491 HZ3 TRP 56 3HZ TRP 56 -20.963 -2.070 -0.192
492 HH2 TRP 56 2HH TRP 56 -22.743 -1.802 -1.913
493 H ARG 57 H ARG 57 -20.986 1.988 3.012
494 HA ARG 57 HA ARG 57 -23.666 2.156 2.094
495 HB2 ARG 57 2HB ARG 57 -22.326 0.784 4.444
496 HB3 ARG 57 3HB ARG 57 -24.074 0.632 4.175
497 HG2 ARG 57 2HG ARG 57 -23.717 -0.290 1.947
498 HG3 ARG 57 3HG ARG 57 -21.966 -0.048 2.089
499 HD2 ARG 57 2HD ARG 57 -21.824 -1.623 3.926
500 HD3 ARG 57 3HD ARG 57 -23.592 -1.823 3.944
501 HE ARG 57 HE ARG 57 -22.756 -2.446 1.337
502 HH11 ARG 57 2HH1 ARG 57 -22.271 -3.835 4.517
503 HH12 ARG 57 1HH1 ARG 57 -22.065 -5.446 3.885
504 HH21 ARG 57 2HH2 ARG 57 -22.499 -4.534 0.598
505 HH22 ARG 57 1HH2 ARG 57 -22.190 -5.821 1.723
506 H LYS 58 H LYS 58 -22.279 3.904 4.830
507 HA LYS 58 HA LYS 58 -24.918 4.878 5.762
508 HB2 LYS 58 2HB LYS 58 -22.056 5.717 6.401
509 HB3 LYS 58 3HB LYS 58 -23.451 6.650 6.909
510 HG2 LYS 58 2HG LYS 58 -22.988 5.401 8.770
511 HG3 LYS 58 3HG LYS 58 -24.360 4.553 8.048
512 HD2 LYS 58 2HD LYS 58 -22.805 2.884 7.080
513 HD3 LYS 58 3HD LYS 58 -21.423 3.757 7.762
514 HE2 LYS 58 2HE LYS 58 -23.665 2.414 9.333
515 HE3 LYS 58 3HE LYS 58 -22.062 1.734 9.028
516 HZ1 LYS 58 3HZ LYS 58 -22.589 4.200 10.598
517 HZ2 LYS 58 1HZ LYS 58 -21.100 3.597 10.278
518 HZ3 LYS 58 2HZ LYS 58 -22.144 2.758 11.209
519 H ARG 59 H ARG 59 -22.431 5.970 3.539
520 HA ARG 59 HA ARG 59 -23.589 8.643 3.140
521 HB2 ARG 59 2HB ARG 59 -21.225 7.117 1.985
522 HB3 ARG 59 3HB ARG 59 -21.658 8.755 1.461
523 HG2 ARG 59 2HG ARG 59 -21.255 9.681 3.610
524 HG3 ARG 59 3HG ARG 59 -21.190 8.097 4.385
525 HD2 ARG 59 2HD ARG 59 -18.940 9.044 4.189
526 HD3 ARG 59 3HD ARG 59 -19.113 7.538 3.296
527 HE ARG 59 HE ARG 59 -18.578 8.634 1.345
528 HH11 ARG 59 2HH2 ARG 59 -19.463 11.212 3.566
529 HH12 ARG 59 1HH2 ARG 59 -18.997 12.431 2.410
530 HH21 ARG 59 2HH1 ARG 59 -18.081 10.105 0.008
531 HH22 ARG 59 1HH1 ARG 59 -18.202 11.822 0.395
532 H GLU 60 H GLU 60 -23.692 5.617 1.412
533 HA GLU 60 HA GLU 60 -24.527 4.921 -0.560
534 HB2 GLU 60 2HB GLU 60 -26.729 6.888 0.119
535 HB3 GLU 60 3HB GLU 60 -26.804 5.710 -1.203
536 HG2 GLU 60 2HG GLU 60 -26.408 3.859 0.394
537 HG3 GLU 60 3HG GLU 60 -26.405 5.011 1.734
538 H GLU 61 H GLU 61 -22.449 6.293 -0.956
539 HA GLU 61 HA GLU 61 -22.420 8.638 -2.445
540 HB2 GLU 61 2HB GLU 61 -20.433 6.336 -2.624
541 HB3 GLU 61 3HB GLU 61 -20.114 8.022 -3.047
542 HG2 GLU 61 2HG GLU 61 -20.503 8.718 -0.719
543 HG3 GLU 61 3HG GLU 61 -20.876 7.050 -0.264
544 H PHE 62 H PHE 62 -23.291 5.530 -3.723
545 HA PHE 62 HA PHE 62 -23.425 6.653 -6.476
546 HB2 PHE 62 2HB PHE 62 -21.528 5.123 -6.362
547 HB3 PHE 62 3HB PHE 62 -22.534 3.867 -5.658
548 HD1 PHE 62 2HD PHE 62 -22.145 5.976 -8.745
549 HD2 PHE 62 1HD PHE 62 -23.758 2.360 -7.033
550 HE1 PHE 62 2HE PHE 62 -22.812 5.198 -11.010
551 HE2 PHE 62 1HE PHE 62 -24.406 1.578 -9.298
552 HZ PHE 62 HZ PHE 62 -23.945 2.999 -11.289
553 H ILE 63 H ILE 63 -25.247 6.306 -7.553
554 HA ILE 63 HA ILE 63 -27.339 4.421 -6.648
555 HB ILE 63 HB ILE 63 -27.760 7.399 -7.123
556 HG12 ILE 63 2HG1 ILE 63 -27.011 6.924 -4.822
557 HG13 ILE 63 3HG1 ILE 63 -28.631 7.569 -4.900
558 HG21 ILE 63 1HG2 ILE 63 -29.838 5.197 -6.805
559 HG22 ILE 63 2HG2 ILE 63 -30.185 6.932 -6.655
560 HG23 ILE 63 3HG2 ILE 63 -29.607 6.289 -8.187
561 HD11 ILE 63 3HD1 ILE 63 -28.003 4.614 -4.475
562 HD12 ILE 63 1HD1 ILE 63 -29.611 5.370 -4.439
563 HD13 ILE 63 2HD1 ILE 63 -28.410 5.784 -3.209
564 H VAL 64 H VAL 64 -28.341 3.474 -8.382
565 HA VAL 64 HA VAL 64 -27.289 3.997 -11.074
566 HB VAL 64 HB VAL 64 -29.412 2.025 -10.163
567 HG11 VAL 64 1HG1 VAL 64 -29.593 2.438 -12.573
568 HG12 VAL 64 2HG1 VAL 64 -27.834 2.225 -12.771
569 HG13 VAL 64 3HG1 VAL 64 -28.866 0.857 -12.300
570 HG21 VAL 64 3HG2 VAL 64 -26.433 1.629 -10.718
571 HG22 VAL 64 1HG2 VAL 64 -27.205 1.543 -9.120
572 HG23 VAL 64 2HG2 VAL 64 -27.597 0.338 -10.348
573 H THR 65 H THR 65 -28.160 5.344 -12.517
574 HA THR 65 HA THR 65 -30.855 6.484 -12.043
575 HB THR 65 HB THR 65 -30.099 8.219 -13.682
576 HG1 THR 65 1HG THR 65 -27.912 8.234 -14.216
577 HG21 THR 65 1HG2 THR 65 -29.804 8.528 -11.229
578 HG22 THR 65 2HG2 THR 65 -28.535 9.330 -12.171
579 HG23 THR 65 3HG2 THR 65 -28.188 7.797 -11.340
580 H ASP 66 H ASP 66 -29.403 4.248 -14.134
581 HA ASP 66 HA ASP 66 -29.945 3.201 -16.071
582 HB2 ASP 66 2HB ASP 66 -31.496 2.242 -14.466
583 HB3 ASP 66 3HB ASP 66 -32.713 3.444 -14.871
Start of MODEL 14
1 H1 GLY -1 1H GLY -1 3.162 -0.012 21.944
2 H2 GLY -1 2H GLY -1 4.199 0.437 23.128
3 H3 GLY -1 3H GLY -1 4.648 0.561 21.557
4 HA2 GLY -1 2HA GLY -1 4.108 2.737 22.436
5 HA3 GLY -1 3HA GLY -1 3.003 2.256 21.135
6 H SER 0 H SER 0 2.580 4.149 23.367
7 HA SER 0 HA SER 0 0.726 2.917 25.252
8 HB2 SER 0 2HB SER 0 2.111 4.840 25.868
9 HB3 SER 0 3HB SER 0 1.286 5.843 24.657
10 HG SER 0 HG SER 0 0.499 5.918 26.923
11 H GLN 1 H GLN 1 -1.483 3.279 25.449
12 HA GLN 1 HA GLN 1 -3.030 3.655 22.979
13 HB2 GLN 1 2HB GLN 1 -3.430 1.924 24.849
14 HB3 GLN 1 3HB GLN 1 -4.101 3.258 25.793
15 HG2 GLN 1 2HG GLN 1 -5.788 3.634 23.972
16 HG3 GLN 1 3HG GLN 1 -5.079 2.304 23.056
17 HE21 GLN 1 2HE2 GLN 1 -5.218 0.075 24.073
18 HE22 GLN 1 1HE2 GLN 1 -6.555 -0.226 25.173
19 H ARG 2 H ARG 2 -1.769 5.740 25.360
20 HA ARG 2 HA ARG 2 -3.891 7.799 25.221
21 HB2 ARG 2 2HB ARG 2 -1.174 7.806 26.593
22 HB3 ARG 2 3HB ARG 2 -2.403 9.071 26.714
23 HG2 ARG 2 2HG ARG 2 -3.996 7.441 27.715
24 HG3 ARG 2 3HG ARG 2 -2.759 6.181 27.621
25 HD2 ARG 2 2HD ARG 2 -2.809 7.016 29.864
26 HD3 ARG 2 3HD ARG 2 -1.289 7.497 29.125
27 HE ARG 2 HE ARG 2 -3.660 9.255 29.685
28 HH11 ARG 2 2HH2 ARG 2 -0.224 9.122 28.972
29 HH12 ARG 2 1HH2 ARG 2 -0.015 10.827 29.266
30 HH21 ARG 2 2HH1 ARG 2 -3.310 11.408 30.042
31 HH22 ARG 2 1HH1 ARG 2 -1.716 12.077 29.857
32 H ARG 3 H ARG 3 -3.447 7.452 22.782
33 HA ARG 3 HA ARG 3 -1.815 9.741 21.765
34 HB2 ARG 3 2HB ARG 3 -0.887 8.433 19.982
35 HB3 ARG 3 3HB ARG 3 -0.490 7.668 21.511
36 HG2 ARG 3 2HG ARG 3 -2.214 5.938 21.151
37 HG3 ARG 3 3HG ARG 3 -2.753 6.757 19.688
38 HD2 ARG 3 2HD ARG 3 -0.319 6.470 18.829
39 HD3 ARG 3 3HD ARG 3 -0.126 5.330 20.153
40 HE ARG 3 HE ARG 3 -1.682 3.845 19.140
41 HH11 ARG 3 2HH2 ARG 3 -1.143 6.616 17.016
42 HH12 ARG 3 1HH2 ARG 3 -1.969 5.813 15.692
43 HH21 ARG 3 2HH1 ARG 3 -2.656 2.940 17.317
44 HH22 ARG 3 1HH1 ARG 3 -2.748 3.893 15.851
45 H GLN 4 H GLN 4 -2.341 9.714 19.153
46 HA GLN 4 HA GLN 4 -5.030 10.724 18.959
47 HB2 GLN 4 2HB GLN 4 -2.979 10.101 16.782
48 HB3 GLN 4 3HB GLN 4 -4.475 10.996 16.551
49 HG2 GLN 4 2HG GLN 4 -2.747 12.619 16.727
50 HG3 GLN 4 3HG GLN 4 -3.716 12.712 18.192
51 HE21 GLN 4 2HE2 GLN 4 -2.088 13.583 19.569
52 HE22 GLN 4 1HE2 GLN 4 -0.635 12.671 19.964
53 H ARG 5 H ARG 5 -3.790 7.586 18.559
54 HA ARG 5 HA ARG 5 -4.579 5.541 17.987
55 HB2 ARG 5 2HB ARG 5 -7.303 6.771 18.477
56 HB3 ARG 5 3HB ARG 5 -6.968 5.041 18.337
57 HG2 ARG 5 2HG ARG 5 -5.450 5.127 20.273
58 HG3 ARG 5 3HG ARG 5 -5.720 6.869 20.423
59 HD2 ARG 5 2HD ARG 5 -8.147 6.445 20.786
60 HD3 ARG 5 3HD ARG 5 -7.808 4.698 20.789
61 HE ARG 5 HE ARG 5 -6.021 5.827 22.636
62 HH11 ARG 5 2HH1 ARG 5 -9.521 5.619 22.473
63 HH12 ARG 5 1HH1 ARG 5 -9.684 5.775 24.202
64 HH21 ARG 5 2HH2 ARG 5 -6.281 6.024 24.740
65 HH22 ARG 5 1HH2 ARG 5 -7.868 5.990 25.480
66 H THR 6 H THR 6 -4.368 7.683 15.797
67 HA THR 6 HA THR 6 -5.836 6.658 13.568
68 HB THR 6 HB THR 6 -3.074 7.803 13.209
69 HG1 THR 6 1HG THR 6 -3.915 9.875 13.555
70 HG21 THR 6 1HG2 THR 6 -4.546 7.335 11.236
71 HG22 THR 6 2HG2 THR 6 -4.187 9.055 11.407
72 HG23 THR 6 3HG2 THR 6 -5.772 8.428 11.913
73 H HIS 7 H HIS 7 -5.286 5.117 12.014
74 HA HIS 7 HA HIS 7 -3.124 3.175 12.736
75 HB2 HIS 7 2HB HIS 7 -5.659 2.643 12.843
76 HB3 HIS 7 3HB HIS 7 -5.566 2.548 11.089
77 HD2 HIS 7 2HD HIS 7 -5.196 0.117 10.312
78 HE1 HIS 7 1HE HIS 7 -3.206 -1.487 13.732
79 HE2 HIS 7 2HE HIS 7 -4.203 -2.052 11.460
80 H PHE 8 H PHE 8 -3.405 5.610 10.688
81 HA PHE 8 HA PHE 8 -1.705 4.539 8.521
82 HB2 PHE 8 2HB PHE 8 -4.331 6.001 8.052
83 HB3 PHE 8 3HB PHE 8 -3.172 5.541 6.812
84 HD1 PHE 8 1HD PHE 8 -2.878 3.183 6.136
85 HD2 PHE 8 2HD PHE 8 -5.885 4.365 8.991
86 HE1 PHE 8 1HE PHE 8 -3.987 0.972 5.890
87 HE2 PHE 8 2HE PHE 8 -6.958 2.131 8.789
88 HZ PHE 8 HZ PHE 8 -5.990 0.425 7.274
89 H THR 9 H THR 9 -0.989 6.433 7.112
90 HA THR 9 HA THR 9 -0.681 8.959 8.691
91 HB THR 9 HB THR 9 1.153 9.577 7.442
92 HG1 THR 9 1HG THR 9 1.810 8.461 5.576
93 HG21 THR 9 1HG2 THR 9 1.499 6.562 7.580
94 HG22 THR 9 2HG2 THR 9 1.680 7.665 8.962
95 HG23 THR 9 3HG2 THR 9 2.775 7.795 7.571
96 H SER 10 H SER 10 -0.997 11.005 7.625
97 HA SER 10 HA SER 10 -3.311 11.238 6.029
98 HB2 SER 10 2HB SER 10 -1.089 13.278 6.208
99 HB3 SER 10 3HB SER 10 -2.816 13.543 5.872
100 HG SER 10 HG SER 10 -2.276 14.008 8.061
101 H GLN 11 H GLN 11 -0.222 10.242 4.933
102 HA GLN 11 HA GLN 11 -0.760 11.046 2.118
103 HB2 GLN 11 2HB GLN 11 1.474 11.465 3.129
104 HB3 GLN 11 3HB GLN 11 1.688 9.719 3.338
105 HG2 GLN 11 2HG GLN 11 1.506 9.405 0.878
106 HG3 GLN 11 3HG GLN 11 1.218 11.136 0.673
107 HE21 GLN 11 2HE2 GLN 11 3.199 10.403 -0.855
108 HE22 GLN 11 1HE2 GLN 11 4.769 10.734 -0.135
109 H GLN 12 H GLN 12 -0.383 8.097 4.172
110 HA GLN 12 HA GLN 12 -0.595 6.140 2.086
111 HB2 GLN 12 2HB GLN 12 -1.395 6.104 5.026
112 HB3 GLN 12 3HB GLN 12 -1.434 4.671 3.984
113 HG2 GLN 12 2HG GLN 12 0.914 4.785 3.553
114 HG3 GLN 12 3HG GLN 12 1.088 6.279 4.465
115 HE21 GLN 12 2HE2 GLN 12 2.325 3.622 4.874
116 HE22 GLN 12 1HE2 GLN 12 1.946 3.183 6.533
117 H LEU 13 H LEU 13 -3.054 7.661 4.139
118 HA LEU 13 HA LEU 13 -5.404 6.426 3.226
119 HB2 LEU 13 2HB LEU 13 -4.871 9.299 4.075
120 HB3 LEU 13 3HB LEU 13 -6.481 8.595 3.927
121 HG LEU 13 HG LEU 13 -4.344 7.413 5.766
122 HD11 LEU 13 1HD1 LEU 13 -6.521 9.390 6.510
123 HD12 LEU 13 2HD1 LEU 13 -5.367 8.585 7.612
124 HD13 LEU 13 3HD1 LEU 13 -4.779 9.739 6.415
125 HD21 LEU 13 3HD2 LEU 13 -7.344 7.072 5.618
126 HD22 LEU 13 1HD2 LEU 13 -6.069 5.852 5.285
127 HD23 LEU 13 2HD2 LEU 13 -6.310 6.454 6.924
128 H GLN 14 H GLN 14 -3.543 8.941 1.571
129 HA GLN 14 HA GLN 14 -5.616 9.684 -0.314
130 HB2 GLN 14 2HB GLN 14 -2.621 9.960 -0.727
131 HB3 GLN 14 3HB GLN 14 -3.907 10.868 -1.513
132 HG2 GLN 14 2HG GLN 14 -3.058 10.999 1.391
133 HG3 GLN 14 3HG GLN 14 -2.786 12.234 0.174
134 HE21 GLN 14 2HE2 GLN 14 -4.210 12.311 2.802
135 HE22 GLN 14 1HE2 GLN 14 -5.820 12.949 2.419
136 H GLU 15 H GLU 15 -2.929 7.329 -0.386
137 HA GLU 15 HA GLU 15 -3.424 6.538 -3.148
138 HB2 GLU 15 2HB GLU 15 -1.850 5.062 -1.012
139 HB3 GLU 15 3HB GLU 15 -1.749 4.838 -2.755
140 HG2 GLU 15 2HG GLU 15 -0.829 7.226 -1.117
141 HG3 GLU 15 3HG GLU 15 0.167 6.108 -2.024
142 H LEU 16 H LEU 16 -4.569 5.443 -0.005
143 HA LEU 16 HA LEU 16 -5.831 2.999 -0.902
144 HB2 LEU 16 2HB LEU 16 -6.146 4.824 1.509
145 HB3 LEU 16 3HB LEU 16 -7.094 3.360 1.298
146 HG LEU 16 HG LEU 16 -4.067 3.200 1.141
147 HD11 LEU 16 1HD1 LEU 16 -4.554 4.360 3.247
148 HD12 LEU 16 2HD1 LEU 16 -5.707 3.086 3.689
149 HD13 LEU 16 3HD1 LEU 16 -3.982 2.710 3.530
150 HD21 LEU 16 3HD2 LEU 16 -5.394 1.237 0.469
151 HD22 LEU 16 1HD2 LEU 16 -4.510 0.918 1.975
152 HD23 LEU 16 2HD2 LEU 16 -6.251 1.264 2.025
153 H GLU 17 H GLU 17 -7.180 6.316 -0.253
154 HA GLU 17 HA GLU 17 -9.704 5.590 -1.437
155 HB2 GLU 17 2HB GLU 17 -10.409 7.795 -1.202
156 HB3 GLU 17 3HB GLU 17 -9.420 7.432 0.208
157 HG2 GLU 17 2HG GLU 17 -7.541 8.703 -0.786
158 HG3 GLU 17 3HG GLU 17 -8.498 9.022 -2.229
159 H ALA 18 H ALA 18 -6.750 6.733 -2.971
160 HA ALA 18 HA ALA 18 -8.010 7.256 -5.528
161 HB1 ALA 18 1HB ALA 18 -5.861 8.260 -4.917
162 HB2 ALA 18 2HB ALA 18 -5.110 6.649 -4.820
163 HB3 ALA 18 3HB ALA 18 -5.697 7.269 -6.376
164 H THR 19 H THR 19 -6.221 4.350 -4.240
165 HA THR 19 HA THR 19 -6.677 2.893 -6.676
166 HB THR 19 HB THR 19 -4.851 2.485 -4.971
167 HG1 THR 19 1HG THR 19 -6.331 0.254 -5.895
168 HG21 THR 19 1HG2 THR 19 -6.616 2.017 -3.061
169 HG22 THR 19 2HG2 THR 19 -5.167 1.043 -3.171
170 HG23 THR 19 3HG2 THR 19 -6.699 0.399 -3.814
171 H PHE 20 H PHE 20 -8.630 3.279 -3.799
172 HA PHE 20 HA PHE 20 -10.609 1.286 -4.190
173 HB2 PHE 20 2HB PHE 20 -10.437 2.590 -2.180
174 HB3 PHE 20 3HB PHE 20 -10.685 4.090 -3.051
175 HD1 PHE 20 2HD PHE 20 -12.549 0.796 -2.747
176 HD2 PHE 20 1HD PHE 20 -12.722 5.097 -2.570
177 HE1 PHE 20 2HE PHE 20 -14.963 0.672 -2.221
178 HE2 PHE 20 1HE PHE 20 -15.153 4.970 -2.078
179 HZ PHE 20 HZ PHE 20 -16.275 2.761 -1.887
180 H GLN 21 H GLN 21 -10.014 4.269 -6.048
181 HA GLN 21 HA GLN 21 -12.631 4.299 -7.295
182 HB2 GLN 21 2HB GLN 21 -10.056 5.545 -8.317
183 HB3 GLN 21 3HB GLN 21 -11.695 5.938 -8.830
184 HG2 GLN 21 2HG GLN 21 -10.317 6.588 -6.227
185 HG3 GLN 21 3HG GLN 21 -10.971 7.702 -7.408
186 HE21 GLN 21 2HE2 GLN 21 -11.507 6.655 -4.384
187 HE22 GLN 21 1HE2 GLN 21 -13.276 6.745 -4.337
188 H ARG 22 H ARG 22 -9.471 2.918 -8.233
189 HA ARG 22 HA ARG 22 -10.558 1.900 -10.797
190 HB2 ARG 22 2HB ARG 22 -8.376 1.001 -11.236
191 HB3 ARG 22 3HB ARG 22 -8.236 2.697 -10.772
192 HG2 ARG 22 2HG ARG 22 -7.391 2.110 -8.591
193 HG3 ARG 22 3HG ARG 22 -7.768 0.396 -8.822
194 HD2 ARG 22 2HD ARG 22 -6.113 0.295 -10.673
195 HD3 ARG 22 3HD ARG 22 -5.643 1.969 -10.312
196 HE ARG 22 HE ARG 22 -5.303 0.987 -7.886
197 HH11 ARG 22 2HH2 ARG 22 -4.300 -0.846 -10.771
198 HH12 ARG 22 1HH2 ARG 22 -3.263 -1.838 -9.735
199 HH21 ARG 22 2HH1 ARG 22 -4.015 -0.360 -6.834
200 HH22 ARG 22 1HH1 ARG 22 -3.085 -1.577 -7.746
201 H ASN 23 H ASN 23 -10.029 0.691 -7.565
202 HA ASN 23 HA ASN 23 -11.206 -1.931 -8.340
203 HB2 ASN 23 2HB ASN 23 -8.646 -1.946 -8.221
204 HB3 ASN 23 3HB ASN 23 -8.787 -1.591 -6.499
205 HD21 ASN 23 1HD2 ASN 23 -7.587 -3.971 -7.534
206 HD22 ASN 23 2HD2 ASN 23 -8.629 -5.325 -7.128
207 H HIS 24 H HIS 24 -13.151 -1.745 -7.340
208 HA HIS 24 HA HIS 24 -13.438 -0.377 -4.765
209 HB2 HIS 24 2HB HIS 24 -15.369 -1.813 -6.617
210 HB3 HIS 24 3HB HIS 24 -15.845 -1.143 -5.063
211 HD2 HIS 24 2HD HIS 24 -13.807 0.442 -8.059
212 HE1 HIS 24 1HE HIS 24 -16.868 3.169 -6.914
213 HE2 HIS 24 2HE HIS 24 -14.907 2.771 -8.499
214 H TYR 25 H TYR 25 -12.599 -3.578 -5.629
215 HA TYR 25 HA TYR 25 -12.913 -4.556 -2.885
216 HB2 TYR 25 2HB TYR 25 -14.163 -6.625 -3.736
217 HB3 TYR 25 3HB TYR 25 -15.047 -5.149 -3.468
218 HD1 TYR 25 1HD TYR 25 -16.083 -3.888 -5.255
219 HD2 TYR 25 2HD TYR 25 -13.867 -7.494 -6.087
220 HE1 TYR 25 1HE TYR 25 -17.019 -3.935 -7.563
221 HE2 TYR 25 2HE TYR 25 -14.809 -7.545 -8.383
222 HH TYR 25 HH TYR 25 -16.181 -6.520 -9.906
223 HA PRO 26 HA PRO 26 -9.174 -6.102 -5.191
224 HB2 PRO 26 2HB PRO 26 -7.237 -5.332 -3.406
225 HB3 PRO 26 3HB PRO 26 -7.890 -4.276 -4.677
226 HG2 PRO 26 2HG PRO 26 -8.699 -4.385 -1.782
227 HG3 PRO 26 3HG PRO 26 -8.338 -2.943 -2.775
228 HD2 PRO 26 2HD PRO 26 -10.891 -3.781 -2.317
229 HD3 PRO 26 3HD PRO 26 -10.409 -3.082 -3.889
230 H ASP 27 H ASP 27 -7.402 -7.586 -4.342
231 HA ASP 27 HA ASP 27 -8.366 -9.524 -2.286
232 HB2 ASP 27 2HB ASP 27 -7.630 -10.008 -5.203
233 HB3 ASP 27 3HB ASP 27 -7.467 -11.263 -3.993
234 H MET 28 H MET 28 -6.430 -11.143 -1.824
235 HA MET 28 HA MET 28 -4.487 -9.617 -0.603
236 HB2 MET 28 2HB MET 28 -3.157 -11.615 -0.310
237 HB3 MET 28 3HB MET 28 -4.863 -11.947 -0.031
238 HG2 MET 28 2HG MET 28 -5.080 -13.068 -2.163
239 HG3 MET 28 3HG MET 28 -3.467 -12.584 -2.665
240 HE1 MET 28 3HE MET 28 -1.003 -14.814 -0.896
241 HE2 MET 28 1HE MET 28 -1.325 -13.619 -2.176
242 HE3 MET 28 2HE MET 28 -1.423 -13.143 -0.468
243 H SER 29 H SER 29 -4.227 -10.839 -3.934
244 HA SER 29 HA SER 29 -1.472 -10.101 -4.301
245 HB2 SER 29 2HB SER 29 -3.641 -10.480 -6.402
246 HB3 SER 29 3HB SER 29 -1.888 -10.491 -6.674
247 HG SER 29 HG SER 29 -2.740 -12.616 -6.475
248 H THR 30 H THR 30 -4.544 -8.351 -4.856
249 HA THR 30 HA THR 30 -3.181 -6.030 -6.065
250 HB THR 30 HB THR 30 -5.657 -5.105 -5.774
251 HG1 THR 30 1HG THR 30 -6.231 -7.750 -6.402
252 HG21 THR 30 1HG2 THR 30 -6.130 -5.979 -8.061
253 HG22 THR 30 2HG2 THR 30 -4.733 -7.073 -7.912
254 HG23 THR 30 3HG2 THR 30 -4.494 -5.313 -7.913
255 H ARG 31 H ARG 31 -4.672 -6.893 -2.958
256 HA ARG 31 HA ARG 31 -4.334 -4.369 -1.677
257 HB2 ARG 31 2HB ARG 31 -4.287 -7.226 -0.620
258 HB3 ARG 31 3HB ARG 31 -4.281 -5.803 0.435
259 HG2 ARG 31 2HG ARG 31 -6.422 -5.042 -0.528
260 HG3 ARG 31 3HG ARG 31 -6.457 -6.438 -1.598
261 HD2 ARG 31 2HD ARG 31 -6.446 -7.942 0.409
262 HD3 ARG 31 3HD ARG 31 -6.628 -6.519 1.437
263 HE ARG 31 HE ARG 31 -8.656 -7.802 -0.240
264 HH11 ARG 31 2HH1 ARG 31 -7.906 -4.718 1.210
265 HH12 ARG 31 1HH1 ARG 31 -9.516 -4.110 0.960
266 HH21 ARG 31 2HH2 ARG 31 -10.606 -6.920 -0.657
267 HH22 ARG 31 1HH2 ARG 31 -11.092 -5.440 0.130
268 H GLU 32 H GLU 32 -2.037 -7.142 -1.934
269 HA GLU 32 HA GLU 32 0.122 -5.789 -0.596
270 HB2 GLU 32 2HB GLU 32 0.070 -8.043 -2.639
271 HB3 GLU 32 3HB GLU 32 1.569 -7.373 -1.989
272 HG2 GLU 32 2HG GLU 32 0.776 -7.849 0.326
273 HG3 GLU 32 3HG GLU 32 -0.641 -8.648 -0.340
274 H GLU 33 H GLU 33 -0.835 -5.855 -4.053
275 HA GLU 33 HA GLU 33 1.351 -4.472 -5.131
276 HB2 GLU 33 2HB GLU 33 -0.438 -5.497 -6.499
277 HB3 GLU 33 3HB GLU 33 -1.581 -4.273 -5.950
278 HG2 GLU 33 2HG GLU 33 -0.188 -2.504 -7.048
279 HG3 GLU 33 3HG GLU 33 0.844 -3.779 -7.695
280 H ILE 34 H ILE 34 -1.451 -2.981 -3.451
281 HA ILE 34 HA ILE 34 -0.325 -0.296 -3.922
282 HB ILE 34 HB ILE 34 -2.245 0.638 -3.177
283 HG12 ILE 34 2HG1 ILE 34 -4.056 -0.893 -1.935
284 HG13 ILE 34 3HG1 ILE 34 -2.620 -1.732 -1.368
285 HG21 ILE 34 1HG2 ILE 34 -4.045 -0.447 -4.303
286 HG22 ILE 34 2HG2 ILE 34 -2.566 -0.894 -5.177
287 HG23 ILE 34 3HG2 ILE 34 -3.357 -2.037 -4.060
288 HD11 ILE 34 3HD1 ILE 34 -3.367 0.000 0.202
289 HD12 ILE 34 1HD1 ILE 34 -3.247 1.245 -1.051
290 HD13 ILE 34 2HD1 ILE 34 -1.784 0.458 -0.421
291 H ALA 35 H ALA 35 -0.292 -2.679 -1.342
292 HA ALA 35 HA ALA 35 0.502 -0.892 0.770
293 HB1 ALA 35 1HB ALA 35 -0.676 -3.017 1.154
294 HB2 ALA 35 2HB ALA 35 0.706 -3.916 0.483
295 HB3 ALA 35 3HB ALA 35 0.880 -3.006 1.985
296 H VAL 36 H VAL 36 2.205 -2.682 -1.669
297 HA VAL 36 HA VAL 36 4.742 -3.037 -0.560
298 HB VAL 36 HB VAL 36 3.454 -3.056 -3.258
299 HG11 VAL 36 1HG1 VAL 36 6.474 -3.193 -3.111
300 HG12 VAL 36 2HG1 VAL 36 5.440 -3.650 -4.490
301 HG13 VAL 36 3HG1 VAL 36 5.492 -1.970 -3.966
302 HG21 VAL 36 3HG2 VAL 36 5.304 -5.065 -1.914
303 HG22 VAL 36 1HG2 VAL 36 3.557 -4.994 -1.631
304 HG23 VAL 36 2HG2 VAL 36 4.162 -5.346 -3.254
305 H TRP 37 H TRP 37 3.534 -0.110 -2.119
306 HA TRP 37 HA TRP 37 6.191 1.181 -1.681
307 HB2 TRP 37 2HB TRP 37 5.443 2.757 -3.501
308 HB3 TRP 37 3HB TRP 37 5.856 1.130 -3.982
309 HD1 TRP 37 1HD TRP 37 3.903 -0.520 -4.707
310 HE1 TRP 37 1HE TRP 37 1.526 -0.190 -5.477
311 HE3 TRP 37 3HE TRP 37 3.424 4.422 -3.538
312 HZ2 TRP 37 2HZ TRP 37 -0.373 2.031 -5.722
313 HZ3 TRP 37 3HZ TRP 37 1.318 5.647 -4.088
314 HH2 TRP 37 2HH TRP 37 -0.585 4.458 -5.151
315 H THR 38 H THR 38 3.426 0.946 -0.094
316 HA THR 38 HA THR 38 3.376 3.830 0.738
317 HB THR 38 HB THR 38 1.058 3.453 1.478
318 HG1 THR 38 1HG THR 38 0.856 1.204 -0.096
319 HG21 THR 38 1HG2 THR 38 1.480 4.388 -0.773
320 HG22 THR 38 2HG2 THR 38 0.041 3.349 -0.781
321 HG23 THR 38 3HG2 THR 38 1.574 2.758 -1.460
322 H ASN 39 H ASN 39 4.784 1.131 1.751
323 HA ASN 39 HA ASN 39 5.478 0.252 3.695
324 HB2 ASN 39 2HB ASN 39 6.241 2.681 3.929
325 HB3 ASN 39 3HB ASN 39 4.872 2.910 5.010
326 HD21 ASN 39 1HD2 ASN 39 6.653 3.511 6.546
327 HD22 ASN 39 2HD2 ASN 39 7.446 2.202 7.412
328 H LEU 40 H LEU 40 2.932 -0.428 3.053
329 HA LEU 40 HA LEU 40 1.624 -0.922 5.708
330 HB2 LEU 40 2HB LEU 40 0.400 -0.683 2.932
331 HB3 LEU 40 3HB LEU 40 -0.486 -1.209 4.344
332 HG LEU 40 HG LEU 40 0.746 1.552 3.974
333 HD11 LEU 40 1HD1 LEU 40 -2.150 0.597 3.905
334 HD12 LEU 40 2HD1 LEU 40 -1.586 2.280 3.766
335 HD13 LEU 40 3HD1 LEU 40 -1.184 1.111 2.503
336 HD21 LEU 40 3HD2 LEU 40 -0.650 2.100 5.983
337 HD22 LEU 40 1HD2 LEU 40 -1.002 0.379 6.180
338 HD23 LEU 40 2HD2 LEU 40 0.664 0.978 6.346
339 H THR 41 H THR 41 0.105 -2.936 5.365
340 HA THR 41 HA THR 41 1.351 -5.091 3.761
341 HB THR 41 HB THR 41 2.196 -5.426 6.046
342 HG1 THR 41 1HG THR 41 1.579 -7.555 6.135
343 HG21 THR 41 1HG2 THR 41 0.670 -6.163 7.841
344 HG22 THR 41 2HG2 THR 41 -0.735 -5.764 6.831
345 HG23 THR 41 3HG2 THR 41 0.365 -4.481 7.393
346 H GLU 42 H GLU 42 -0.295 -6.934 3.478
347 HA GLU 42 HA GLU 42 -2.525 -5.741 2.230
348 HB2 GLU 42 2HB GLU 42 -3.025 -7.769 1.390
349 HB3 GLU 42 3HB GLU 42 -1.344 -7.994 1.808
350 HG2 GLU 42 2HG GLU 42 -2.221 -9.961 2.539
351 HG3 GLU 42 3HG GLU 42 -2.304 -9.049 4.037
352 H ALA 43 H ALA 43 -2.308 -7.091 5.452
353 HA ALA 43 HA ALA 43 -5.087 -7.166 6.086
354 HB1 ALA 43 1HB ALA 43 -3.346 -8.382 7.332
355 HB2 ALA 43 2HB ALA 43 -2.667 -6.843 7.914
356 HB3 ALA 43 3HB ALA 43 -4.298 -7.343 8.406
357 H ARG 44 H ARG 44 -2.725 -4.493 6.326
358 HA ARG 44 HA ARG 44 -4.462 -2.581 7.675
359 HB2 ARG 44 2HB ARG 44 -2.141 -2.171 5.734
360 HB3 ARG 44 3HB ARG 44 -2.923 -0.884 6.622
361 HG2 ARG 44 2HG ARG 44 -1.596 -3.206 8.060
362 HG3 ARG 44 3HG ARG 44 -0.694 -1.781 7.526
363 HD2 ARG 44 2HD ARG 44 -2.133 -0.308 8.848
364 HD3 ARG 44 3HD ARG 44 -3.114 -1.692 9.349
365 HE ARG 44 HE ARG 44 -0.906 -2.607 10.326
366 HH11 ARG 44 2HH2 ARG 44 -1.650 0.863 10.433
367 HH12 ARG 44 1HH2 ARG 44 -0.545 1.093 11.750
368 HH21 ARG 44 1HH1 ARG 44 0.421 -2.174 12.018
369 HH22 ARG 44 2HH1 ARG 44 0.560 -0.554 12.629
370 H VAL 45 H VAL 45 -3.807 -3.318 4.246
371 HA VAL 45 HA VAL 45 -5.672 -1.400 3.175
372 HB VAL 45 HB VAL 45 -4.828 -4.006 1.854
373 HG11 VAL 45 1HG1 VAL 45 -6.624 -2.754 0.676
374 HG12 VAL 45 2HG1 VAL 45 -5.609 -1.299 0.700
375 HG13 VAL 45 3HG1 VAL 45 -5.109 -2.724 -0.229
376 HG21 VAL 45 3HG2 VAL 45 -3.003 -2.604 0.817
377 HG22 VAL 45 1HG2 VAL 45 -3.345 -1.358 2.039
378 HG23 VAL 45 2HG2 VAL 45 -2.765 -2.965 2.519
379 H ARG 46 H ARG 46 -6.042 -4.858 4.033
380 HA ARG 46 HA ARG 46 -8.799 -5.177 3.351
381 HB2 ARG 46 2HB ARG 46 -7.079 -6.932 3.885
382 HB3 ARG 46 3HB ARG 46 -7.264 -6.532 5.596
383 HG2 ARG 46 2HG ARG 46 -9.632 -7.171 5.521
384 HG3 ARG 46 3HG ARG 46 -9.525 -7.475 3.779
385 HD2 ARG 46 2HD ARG 46 -7.877 -8.929 5.901
386 HD3 ARG 46 3HD ARG 46 -9.372 -9.557 5.222
387 HE ARG 46 HE ARG 46 -6.714 -9.397 3.917
388 HH11 ARG 46 2HH1 ARG 46 -10.111 -10.181 3.426
389 HH12 ARG 46 1HH1 ARG 46 -9.788 -10.992 1.919
390 HH21 ARG 46 2HH2 ARG 46 -6.407 -10.302 1.963
391 HH22 ARG 46 1HH2 ARG 46 -7.726 -11.128 1.143
392 H VAL 47 H VAL 47 -7.394 -4.138 6.476
393 HA VAL 47 HA VAL 47 -9.893 -3.626 7.781
394 HB VAL 47 HB VAL 47 -7.101 -2.496 8.191
395 HG11 VAL 47 1HG1 VAL 47 -9.580 -2.049 9.910
396 HG12 VAL 47 2HG1 VAL 47 -7.908 -1.713 10.420
397 HG13 VAL 47 3HG1 VAL 47 -8.619 -0.798 9.089
398 HG21 VAL 47 3HG2 VAL 47 -8.798 -4.436 9.822
399 HG22 VAL 47 1HG2 VAL 47 -7.518 -4.924 8.700
400 HG23 VAL 47 2HG2 VAL 47 -7.100 -3.978 10.127
401 H TRP 48 H TRP 48 -7.824 -1.398 5.822
402 HA TRP 48 HA TRP 48 -9.468 0.881 6.233
403 HB2 TRP 48 2HB TRP 48 -7.132 0.825 5.254
404 HB3 TRP 48 3HB TRP 48 -7.847 0.292 3.741
405 HD1 TRP 48 1HD TRP 48 -7.427 3.312 5.986
406 HE1 TRP 48 1HE TRP 48 -8.214 5.442 4.800
407 HE3 TRP 48 3HE TRP 48 -9.651 1.199 1.883
408 HZ2 TRP 48 2HZ TRP 48 -9.555 6.150 2.350
409 HZ3 TRP 48 3HZ TRP 48 -10.723 2.618 0.168
410 HH2 TRP 48 2HH TRP 48 -10.727 5.090 0.410
411 H PHE 49 H PHE 49 -9.543 -1.478 3.495
412 HA PHE 49 HA PHE 49 -11.803 -0.206 2.215
413 HB2 PHE 49 2HB PHE 49 -10.412 -2.862 1.945
414 HB3 PHE 49 3HB PHE 49 -11.934 -2.581 1.129
415 HD1 PHE 49 1HD PHE 49 -8.489 -0.997 1.428
416 HD2 PHE 49 2HD PHE 49 -12.011 -1.594 -1.004
417 HE1 PHE 49 1HE PHE 49 -7.349 0.063 -0.495
418 HE2 PHE 49 2HE PHE 49 -10.846 -0.561 -2.898
419 HZ PHE 49 HZ PHE 49 -8.553 0.316 -2.651
420 H LYS 50 H LYS 50 -11.580 -2.722 4.725
421 HA LYS 50 HA LYS 50 -14.384 -3.442 4.699
422 HB2 LYS 50 2HB LYS 50 -12.623 -4.860 5.667
423 HB3 LYS 50 3HB LYS 50 -12.340 -3.663 6.945
424 HG2 LYS 50 2HG LYS 50 -14.613 -4.027 7.819
425 HG3 LYS 50 3HG LYS 50 -15.007 -5.059 6.436
426 HD2 LYS 50 2HD LYS 50 -14.599 -6.437 8.371
427 HD3 LYS 50 3HD LYS 50 -13.318 -6.715 7.183
428 HE2 LYS 50 2HE LYS 50 -11.791 -5.244 8.462
429 HE3 LYS 50 3HE LYS 50 -13.086 -4.869 9.609
430 HZ1 LYS 50 3HZ LYS 50 -11.931 -7.577 9.179
431 HZ2 LYS 50 1HZ LYS 50 -13.123 -7.223 10.239
432 HZ3 LYS 50 2HZ LYS 50 -11.628 -6.616 10.464
433 H ASN 51 H ASN 51 -12.582 -0.914 6.473
434 HA ASN 51 HA ASN 51 -15.003 0.152 7.732
435 HB2 ASN 51 2HB ASN 51 -12.179 1.208 7.304
436 HB3 ASN 51 3HB ASN 51 -13.461 2.228 7.953
437 HD21 ASN 51 1HD2 ASN 51 -11.528 -0.688 8.595
438 HD22 ASN 51 2HD2 ASN 51 -11.887 -0.681 10.321
439 H ARG 52 H ARG 52 -13.227 0.981 4.711
440 HA ARG 52 HA ARG 52 -14.778 3.232 4.081
441 HB2 ARG 52 2HB ARG 52 -12.557 2.486 3.033
442 HB3 ARG 52 3HB ARG 52 -13.485 1.348 2.060
443 HG2 ARG 52 2HG ARG 52 -13.014 3.331 0.743
444 HG3 ARG 52 3HG ARG 52 -14.742 3.212 1.019
445 HD2 ARG 52 2HD ARG 52 -14.536 4.911 2.873
446 HD3 ARG 52 3HD ARG 52 -12.802 4.990 2.568
447 HE ARG 52 HE ARG 52 -13.196 6.363 0.759
448 HH11 ARG 52 2HH1 ARG 52 -16.306 4.867 1.506
449 HH12 ARG 52 1HH1 ARG 52 -17.151 5.994 0.444
450 HH21 ARG 52 2HH2 ARG 52 -14.403 7.723 -0.532
451 HH22 ARG 52 1HH2 ARG 52 -16.133 7.505 -0.652
452 H ARG 53 H ARG 53 -15.431 -0.145 3.136
453 HA ARG 53 HA ARG 53 -17.777 0.512 1.578
454 HB2 ARG 53 2HB ARG 53 -18.246 -1.850 1.508
455 HB3 ARG 53 3HB ARG 53 -16.539 -1.541 1.247
456 HG2 ARG 53 2HG ARG 53 -16.407 -3.358 2.642
457 HG3 ARG 53 3HG ARG 53 -16.278 -2.045 3.796
458 HD2 ARG 53 2HD ARG 53 -19.003 -2.440 3.811
459 HD3 ARG 53 3HD ARG 53 -18.440 -4.056 3.374
460 HE ARG 53 HE ARG 53 -17.013 -2.846 5.640
461 HH11 ARG 53 2HH1 ARG 53 -19.810 -4.823 4.876
462 HH12 ARG 53 1HH1 ARG 53 -19.936 -5.412 6.512
463 HH21 ARG 53 2HH2 ARG 53 -17.243 -3.602 7.667
464 HH22 ARG 53 1HH2 ARG 53 -18.504 -4.740 8.054
465 H ALA 54 H ALA 54 -17.366 -0.110 5.038
466 HA ALA 54 HA ALA 54 -20.191 -0.162 5.652
467 HB1 ALA 54 1HB ALA 54 -17.804 0.528 7.424
468 HB2 ALA 54 2HB ALA 54 -19.431 0.096 7.968
469 HB3 ALA 54 3HB ALA 54 -18.433 -1.113 7.135
470 H LYS 55 H LYS 55 -17.785 2.447 5.384
471 HA LYS 55 HA LYS 55 -19.625 4.553 6.220
472 HB2 LYS 55 2HB LYS 55 -16.902 4.591 4.848
473 HB3 LYS 55 3HB LYS 55 -17.789 6.048 5.316
474 HG2 LYS 55 2HG LYS 55 -17.779 5.362 7.670
475 HG3 LYS 55 3HG LYS 55 -16.941 3.859 7.268
476 HD2 LYS 55 2HD LYS 55 -14.999 5.153 6.427
477 HD3 LYS 55 3HD LYS 55 -15.843 6.669 6.820
478 HE2 LYS 55 2HE LYS 55 -15.963 5.954 9.211
479 HE3 LYS 55 3HE LYS 55 -15.076 4.480 8.808
480 HZ1 LYS 55 3HZ LYS 55 -13.197 5.890 8.117
481 HZ2 LYS 55 1HZ LYS 55 -13.591 6.198 9.671
482 HZ3 LYS 55 2HZ LYS 55 -14.026 7.247 8.501
483 H TRP 56 H TRP 56 -18.554 3.311 3.054
484 HA TRP 56 HA TRP 56 -19.668 5.230 1.325
485 HB2 TRP 56 2HB TRP 56 -18.276 3.665 0.312
486 HB3 TRP 56 3HB TRP 56 -18.975 2.318 1.190
487 HD1 TRP 56 1HD TRP 56 -20.363 4.752 -1.447
488 HE1 TRP 56 1HE TRP 56 -21.804 3.407 -3.127
489 HE3 TRP 56 3HE TRP 56 -19.834 0.109 0.575
490 HZ2 TRP 56 2HZ TRP 56 -22.635 0.683 -3.502
491 HZ3 TRP 56 3HZ TRP 56 -20.909 -1.872 -0.484
492 HH2 TRP 56 2HH TRP 56 -22.332 -1.592 -2.507
493 H ARG 57 H ARG 57 -21.250 2.356 2.683
494 HA ARG 57 HA ARG 57 -23.702 2.525 1.304
495 HB2 ARG 57 2HB ARG 57 -22.811 1.337 3.945
496 HB3 ARG 57 3HB ARG 57 -24.499 1.164 3.406
497 HG2 ARG 57 2HG ARG 57 -23.798 0.080 1.340
498 HG3 ARG 57 3HG ARG 57 -22.093 0.336 1.731
499 HD2 ARG 57 2HD ARG 57 -22.232 -1.133 3.660
500 HD3 ARG 57 3HD ARG 57 -23.991 -1.308 3.442
501 HE ARG 57 HE ARG 57 -22.673 -2.089 1.036
502 HH11 ARG 57 2HH2 ARG 57 -23.185 -3.336 4.269
503 HH12 ARG 57 1HH2 ARG 57 -23.072 -4.996 3.746
504 HH21 ARG 57 2HH1 ARG 57 -22.521 -4.231 0.440
505 HH22 ARG 57 1HH1 ARG 57 -22.673 -5.478 1.640
506 H LYS 58 H LYS 58 -22.750 4.514 4.001
507 HA LYS 58 HA LYS 58 -25.486 5.539 4.518
508 HB2 LYS 58 2HB LYS 58 -22.724 6.407 5.474
509 HB3 LYS 58 3HB LYS 58 -24.184 7.314 5.818
510 HG2 LYS 58 2HG LYS 58 -23.665 5.999 7.719
511 HG3 LYS 58 3HG LYS 58 -25.169 5.396 7.014
512 HD2 LYS 58 2HD LYS 58 -24.062 3.444 6.124
513 HD3 LYS 58 3HD LYS 58 -22.457 4.139 6.463
514 HE2 LYS 58 2HE LYS 58 -22.895 4.024 8.876
515 HE3 LYS 58 3HE LYS 58 -24.519 3.386 8.582
516 HZ1 LYS 58 3HZ LYS 58 -22.800 1.650 9.062
517 HZ2 LYS 58 1HZ LYS 58 -22.044 2.036 7.650
518 HZ3 LYS 58 2HZ LYS 58 -23.555 1.414 7.632
519 H ARG 59 H ARG 59 -22.906 6.263 2.334
520 HA ARG 59 HA ARG 59 -23.902 8.999 1.684
521 HB2 ARG 59 2HB ARG 59 -21.361 7.496 0.933
522 HB3 ARG 59 3HB ARG 59 -21.741 9.164 0.467
523 HG2 ARG 59 2HG ARG 59 -21.789 9.816 2.858
524 HG3 ARG 59 3HG ARG 59 -21.383 8.151 3.322
525 HD2 ARG 59 2HD ARG 59 -19.274 8.283 2.061
526 HD3 ARG 59 3HD ARG 59 -19.640 9.932 1.562
527 HE ARG 59 HE ARG 59 -18.724 9.004 4.202
528 HH11 ARG 59 2HH1 ARG 59 -20.115 11.753 2.520
529 HH12 ARG 59 1HH1 ARG 59 -19.616 12.871 3.758
530 HH21 ARG 59 2HH2 ARG 59 -18.121 10.492 5.734
531 HH22 ARG 59 1HH2 ARG 59 -18.521 12.169 5.523
532 H GLU 60 H GLU 60 -23.600 5.818 0.254
533 HA GLU 60 HA GLU 60 -24.150 4.911 -1.740
534 HB2 GLU 60 2HB GLU 60 -26.381 6.967 -1.694
535 HB3 GLU 60 3HB GLU 60 -26.281 5.579 -2.787
536 HG2 GLU 60 2HG GLU 60 -26.211 4.041 -0.833
537 HG3 GLU 60 3HG GLU 60 -26.404 5.420 0.254
538 H GLU 61 H GLU 61 -21.992 6.318 -1.947
539 HA GLU 61 HA GLU 61 -21.799 8.423 -3.795
540 HB2 GLU 61 2HB GLU 61 -19.780 6.248 -3.118
541 HB3 GLU 61 3HB GLU 61 -19.385 7.756 -3.942
542 HG2 GLU 61 2HG GLU 61 -19.943 9.085 -2.015
543 HG3 GLU 61 3HG GLU 61 -20.672 7.706 -1.196
544 H PHE 62 H PHE 62 -22.361 5.100 -4.591
545 HA PHE 62 HA PHE 62 -21.352 5.355 -7.370
546 HB2 PHE 62 2HB PHE 62 -20.789 3.331 -6.122
547 HB3 PHE 62 3HB PHE 62 -22.494 2.991 -5.850
548 HD1 PHE 62 2HD PHE 62 -19.865 3.313 -8.495
549 HD2 PHE 62 1HD PHE 62 -23.815 1.873 -7.527
550 HE1 PHE 62 2HE PHE 62 -19.947 2.081 -10.651
551 HE2 PHE 62 1HE PHE 62 -23.891 0.639 -9.682
552 HZ PHE 62 HZ PHE 62 -21.957 0.740 -11.245
553 H ILE 63 H ILE 63 -22.634 6.087 -8.906
554 HA ILE 63 HA ILE 63 -25.583 5.647 -8.846
555 HB ILE 63 HB ILE 63 -24.220 8.317 -9.352
556 HG12 ILE 63 2HG1 ILE 63 -26.013 7.355 -7.073
557 HG13 ILE 63 3HG1 ILE 63 -24.306 7.789 -6.959
558 HG21 ILE 63 1HG2 ILE 63 -26.180 7.987 -10.846
559 HG22 ILE 63 2HG2 ILE 63 -27.186 7.577 -9.435
560 HG23 ILE 63 3HG2 ILE 63 -26.512 9.208 -9.646
561 HD11 ILE 63 3HD1 ILE 63 -24.901 10.138 -7.612
562 HD12 ILE 63 1HD1 ILE 63 -25.537 9.587 -6.047
563 HD13 ILE 63 2HD1 ILE 63 -26.618 9.677 -7.444
564 H VAL 64 H VAL 64 -26.461 5.201 -10.804
565 HA VAL 64 HA VAL 64 -24.880 5.554 -13.308
566 HB VAL 64 HB VAL 64 -26.432 3.027 -12.649
567 HG11 VAL 64 1HG1 VAL 64 -24.605 3.755 -14.985
568 HG12 VAL 64 2HG1 VAL 64 -25.286 2.142 -14.685
569 HG13 VAL 64 3HG1 VAL 64 -26.364 3.481 -15.051
570 HG21 VAL 64 3HG2 VAL 64 -24.221 1.871 -12.608
571 HG22 VAL 64 1HG2 VAL 64 -23.407 3.450 -12.708
572 HG23 VAL 64 2HG2 VAL 64 -24.383 3.024 -11.286
573 H THR 65 H THR 65 -26.074 6.397 -14.933
574 HA THR 65 HA THR 65 -28.830 7.149 -14.355
575 HB THR 65 HB THR 65 -27.216 7.772 -16.852
576 HG1 THR 65 1HG THR 65 -26.533 9.602 -15.746
577 HG21 THR 65 1HG2 THR 65 -29.565 8.470 -17.035
578 HG22 THR 65 2HG2 THR 65 -28.543 9.892 -16.816
579 HG23 THR 65 3HG2 THR 65 -29.482 9.260 -15.443
580 H ASP 66 H ASP 66 -27.301 4.797 -16.449
581 HA ASP 66 HA ASP 66 -29.527 4.364 -18.252
582 HB2 ASP 66 2HB ASP 66 -27.194 3.950 -18.882
583 HB3 ASP 66 3HB ASP 66 -27.063 2.692 -17.659
Start of MODEL 15
1 H1 GLY -1 1H GLY -1 2.385 -1.209 31.971
2 H2 GLY -1 2H GLY -1 0.930 -1.780 32.465
3 H3 GLY -1 3H GLY -1 1.009 -0.464 31.490
4 HA2 GLY -1 2HA GLY -1 1.825 -3.194 30.736
5 HA3 GLY -1 3HA GLY -1 0.322 -2.400 30.229
6 H SER 0 H SER 0 2.406 -3.448 28.514
7 HA SER 0 HA SER 0 3.920 -1.196 27.415
8 HB2 SER 0 2HB SER 0 4.698 -3.597 27.471
9 HB3 SER 0 3HB SER 0 3.520 -3.940 26.189
10 HG SER 0 HG SER 0 5.638 -3.412 25.393
11 H GLN 1 H GLN 1 3.805 -0.632 25.103
12 HA GLN 1 HA GLN 1 1.148 0.272 24.381
13 HB2 GLN 1 2HB GLN 1 3.191 1.603 24.033
14 HB3 GLN 1 3HB GLN 1 3.795 0.404 22.882
15 HG2 GLN 1 2HG GLN 1 1.908 0.894 21.361
16 HG3 GLN 1 3HG GLN 1 1.225 2.021 22.542
17 HE21 GLN 1 2HE2 GLN 1 4.182 1.447 20.525
18 HE22 GLN 1 1HE2 GLN 1 4.543 3.158 20.365
19 H ARG 2 H ARG 2 -0.252 -0.485 22.884
20 HA ARG 2 HA ARG 2 0.217 -3.124 21.642
21 HB2 ARG 2 2HB ARG 2 -2.135 -3.152 21.147
22 HB3 ARG 2 3HB ARG 2 -1.876 -2.728 22.835
23 HG2 ARG 2 2HG ARG 2 -2.294 -0.310 22.269
24 HG3 ARG 2 3HG ARG 2 -2.553 -0.775 20.582
25 HD2 ARG 2 2HD ARG 2 -4.698 -0.510 21.613
26 HD3 ARG 2 3HD ARG 2 -4.445 -2.234 21.290
27 HE ARG 2 HE ARG 2 -3.600 -1.548 23.970
28 HH11 ARG 2 2HH1 ARG 2 -6.558 -2.087 22.169
29 HH12 ARG 2 1HH1 ARG 2 -7.446 -2.556 23.595
30 HH21 ARG 2 2HH2 ARG 2 -4.788 -2.162 25.743
31 HH22 ARG 2 1HH2 ARG 2 -6.464 -2.589 25.561
32 H ARG 3 H ARG 3 -0.226 -3.586 19.448
33 HA ARG 3 HA ARG 3 0.393 -3.403 17.228
34 HB2 ARG 3 2HB ARG 3 -1.053 -0.738 17.445
35 HB3 ARG 3 3HB ARG 3 -0.746 -1.650 15.958
36 HG2 ARG 3 2HG ARG 3 -2.179 -3.491 16.775
37 HG3 ARG 3 3HG ARG 3 -2.541 -2.573 18.244
38 HD2 ARG 3 2HD ARG 3 -3.204 -1.682 15.401
39 HD3 ARG 3 3HD ARG 3 -4.329 -2.413 16.536
40 HE ARG 3 HE ARG 3 -4.345 -0.471 17.880
41 HH11 ARG 3 2HH1 ARG 3 -2.432 0.130 14.986
42 HH12 ARG 3 1HH1 ARG 3 -2.273 1.830 15.385
43 HH21 ARG 3 2HH2 ARG 3 -4.125 1.736 18.219
44 HH22 ARG 3 1HH2 ARG 3 -3.148 2.668 17.105
45 H GLN 4 H GLN 4 0.832 -0.502 16.118
46 HA GLN 4 HA GLN 4 3.475 0.148 17.337
47 HB2 GLN 4 2HB GLN 4 2.832 0.042 14.364
48 HB3 GLN 4 3HB GLN 4 4.299 0.748 15.037
49 HG2 GLN 4 2HG GLN 4 3.537 -2.184 15.388
50 HG3 GLN 4 3HG GLN 4 4.566 -1.561 14.110
51 HE21 GLN 4 2HE2 GLN 4 4.394 -2.051 17.666
52 HE22 GLN 4 1HE2 GLN 4 6.138 -1.901 17.884
53 H ARG 5 H ARG 5 0.969 1.164 18.026
54 HA ARG 5 HA ARG 5 -0.353 2.948 18.330
55 HB2 ARG 5 2HB ARG 5 1.815 3.910 19.097
56 HB3 ARG 5 3HB ARG 5 2.006 4.679 17.520
57 HG2 ARG 5 2HG ARG 5 -0.201 5.857 17.889
58 HG3 ARG 5 3HG ARG 5 -0.260 5.159 19.513
59 HD2 ARG 5 2HD ARG 5 1.912 7.009 18.431
60 HD3 ARG 5 3HD ARG 5 0.565 7.495 19.474
61 HE ARG 5 HE ARG 5 2.036 5.363 20.730
62 HH11 ARG 5 2HH1 ARG 5 2.400 8.802 20.116
63 HH12 ARG 5 1HH1 ARG 5 3.469 9.001 21.479
64 HH21 ARG 5 2HH2 ARG 5 3.354 5.658 22.353
65 HH22 ARG 5 1HH2 ARG 5 4.005 7.242 22.750
66 H THR 6 H THR 6 1.400 3.998 15.387
67 HA THR 6 HA THR 6 -0.807 5.412 14.291
68 HB THR 6 HB THR 6 1.597 4.242 12.839
69 HG1 THR 6 1HG THR 6 2.506 6.250 13.288
70 HG21 THR 6 1HG2 THR 6 -0.238 6.585 12.142
71 HG22 THR 6 2HG2 THR 6 -0.062 5.070 11.223
72 HG23 THR 6 3HG2 THR 6 1.288 6.201 11.314
73 H HIS 7 H HIS 7 -2.525 4.847 13.119
74 HA HIS 7 HA HIS 7 -2.910 2.064 12.152
75 HB2 HIS 7 2HB HIS 7 -5.209 2.926 11.588
76 HB3 HIS 7 3HB HIS 7 -4.785 2.853 13.292
77 HD2 HIS 7 2HD HIS 7 -4.796 5.076 14.697
78 HE1 HIS 7 1HE HIS 7 -5.801 7.808 11.578
79 HE2 HIS 7 2HE HIS 7 -5.484 7.549 14.092
80 H PHE 8 H PHE 8 -3.214 5.349 10.748
81 HA PHE 8 HA PHE 8 -1.652 4.533 8.374
82 HB2 PHE 8 2HB PHE 8 -4.339 5.947 8.210
83 HB3 PHE 8 3HB PHE 8 -3.257 5.591 6.867
84 HD1 PHE 8 1HD PHE 8 -2.949 3.256 6.058
85 HD2 PHE 8 2HD PHE 8 -5.803 4.241 9.135
86 HE1 PHE 8 1HE PHE 8 -4.027 1.032 5.774
87 HE2 PHE 8 2HE PHE 8 -6.858 2.005 8.877
88 HZ PHE 8 HZ PHE 8 -5.953 0.393 7.223
89 H THR 9 H THR 9 -0.988 6.444 7.102
90 HA THR 9 HA THR 9 -0.673 8.934 8.730
91 HB THR 9 HB THR 9 1.139 9.588 7.467
92 HG1 THR 9 1HG THR 9 1.756 8.561 5.547
93 HG21 THR 9 1HG2 THR 9 1.475 6.573 7.501
94 HG22 THR 9 2HG2 THR 9 1.697 7.630 8.911
95 HG23 THR 9 3HG2 THR 9 2.761 7.795 7.496
96 H SER 10 H SER 10 -0.997 10.999 7.668
97 HA SER 10 HA SER 10 -3.381 11.299 6.244
98 HB2 SER 10 2HB SER 10 -1.035 13.188 6.040
99 HB3 SER 10 3HB SER 10 -2.776 13.547 5.922
100 HG SER 10 HG SER 10 -1.916 14.102 7.992
101 H GLN 11 H GLN 11 -0.292 10.343 4.901
102 HA GLN 11 HA GLN 11 -1.115 11.090 2.157
103 HB2 GLN 11 2HB GLN 11 1.175 11.639 3.007
104 HB3 GLN 11 3HB GLN 11 1.502 9.907 3.131
105 HG2 GLN 11 2HG GLN 11 2.407 10.791 1.053
106 HG3 GLN 11 3HG GLN 11 1.113 9.652 0.697
107 HE21 GLN 11 2HE2 GLN 11 0.048 10.418 -1.200
108 HE22 GLN 11 1HE2 GLN 11 -0.362 12.116 -1.410
109 H GLN 12 H GLN 12 -0.444 8.144 4.142
110 HA GLN 12 HA GLN 12 -0.690 6.194 2.061
111 HB2 GLN 12 2HB GLN 12 -1.438 6.114 5.011
112 HB3 GLN 12 3HB GLN 12 -1.447 4.692 3.951
113 HG2 GLN 12 2HG GLN 12 0.896 4.880 3.496
114 HG3 GLN 12 3HG GLN 12 1.032 6.369 4.426
115 HE21 GLN 12 2HE2 GLN 12 2.346 3.728 4.802
116 HE22 GLN 12 1HE2 GLN 12 1.995 3.286 6.469
117 H LEU 13 H LEU 13 -3.125 7.743 4.128
118 HA LEU 13 HA LEU 13 -5.484 6.475 3.219
119 HB2 LEU 13 2HB LEU 13 -4.988 9.336 4.116
120 HB3 LEU 13 3HB LEU 13 -6.581 8.585 3.989
121 HG LEU 13 HG LEU 13 -4.389 7.419 5.770
122 HD11 LEU 13 1HD1 LEU 13 -4.821 9.751 6.432
123 HD12 LEU 13 2HD1 LEU 13 -6.553 9.379 6.593
124 HD13 LEU 13 3HD1 LEU 13 -5.348 8.581 7.646
125 HD21 LEU 13 3HD2 LEU 13 -7.392 7.070 5.721
126 HD22 LEU 13 1HD2 LEU 13 -6.138 5.864 5.290
127 HD23 LEU 13 2HD2 LEU 13 -6.292 6.419 6.958
128 H GLN 14 H GLN 14 -3.619 9.016 1.603
129 HA GLN 14 HA GLN 14 -5.691 9.735 -0.312
130 HB2 GLN 14 2HB GLN 14 -2.707 10.111 -0.683
131 HB3 GLN 14 3HB GLN 14 -4.015 10.971 -1.476
132 HG2 GLN 14 2HG GLN 14 -3.202 11.135 1.427
133 HG3 GLN 14 3HG GLN 14 -2.955 12.379 0.215
134 HE21 GLN 14 2HE2 GLN 14 -4.454 12.307 2.856
135 HE22 GLN 14 1HE2 GLN 14 -6.057 12.936 2.443
136 H GLU 15 H GLU 15 -2.914 7.479 -0.294
137 HA GLU 15 HA GLU 15 -3.256 6.649 -3.056
138 HB2 GLU 15 2HB GLU 15 -1.935 5.008 -0.885
139 HB3 GLU 15 3HB GLU 15 -1.635 4.983 -2.615
140 HG2 GLU 15 2HG GLU 15 -0.792 7.030 -0.562
141 HG3 GLU 15 3HG GLU 15 0.227 6.058 -1.593
142 H LEU 16 H LEU 16 -4.518 5.485 0.047
143 HA LEU 16 HA LEU 16 -5.817 3.114 -0.939
144 HB2 LEU 16 2HB LEU 16 -6.215 4.896 1.487
145 HB3 LEU 16 3HB LEU 16 -7.136 3.424 1.223
146 HG LEU 16 HG LEU 16 -4.101 3.310 1.180
147 HD11 LEU 16 1HD1 LEU 16 -4.693 4.429 3.277
148 HD12 LEU 16 2HD1 LEU 16 -5.845 3.130 3.654
149 HD13 LEU 16 3HD1 LEU 16 -4.105 2.785 3.563
150 HD21 LEU 16 3HD2 LEU 16 -5.330 1.333 0.425
151 HD22 LEU 16 1HD2 LEU 16 -4.530 1.010 1.973
152 HD23 LEU 16 2HD2 LEU 16 -6.280 1.317 1.929
153 H GLU 17 H GLU 17 -7.179 6.432 -0.270
154 HA GLU 17 HA GLU 17 -9.676 5.699 -1.503
155 HB2 GLU 17 2HB GLU 17 -10.428 7.871 -1.199
156 HB3 GLU 17 3HB GLU 17 -9.413 7.502 0.191
157 HG2 GLU 17 2HG GLU 17 -7.579 8.839 -0.800
158 HG3 GLU 17 3HG GLU 17 -8.559 9.164 -2.224
159 H ALA 18 H ALA 18 -6.728 6.844 -3.001
160 HA ALA 18 HA ALA 18 -7.993 7.434 -5.564
161 HB1 ALA 18 1HB ALA 18 -5.872 8.473 -4.912
162 HB2 ALA 18 2HB ALA 18 -5.088 6.878 -4.834
163 HB3 ALA 18 3HB ALA 18 -5.672 7.511 -6.387
164 H THR 19 H THR 19 -6.184 4.567 -4.276
165 HA THR 19 HA THR 19 -6.555 3.068 -6.716
166 HB THR 19 HB THR 19 -4.793 2.859 -4.823
167 HG1 THR 19 1HG THR 19 -4.185 1.330 -5.984
168 HG21 THR 19 1HG2 THR 19 -5.078 1.184 -3.204
169 HG22 THR 19 2HG2 THR 19 -6.574 0.568 -3.961
170 HG23 THR 19 3HG2 THR 19 -6.547 2.125 -3.088
171 H PHE 20 H PHE 20 -8.532 3.447 -3.863
172 HA PHE 20 HA PHE 20 -10.485 1.445 -4.237
173 HB2 PHE 20 2HB PHE 20 -10.361 2.812 -2.259
174 HB3 PHE 20 3HB PHE 20 -10.592 4.277 -3.191
175 HD1 PHE 20 1HD PHE 20 -12.558 1.036 -3.049
176 HD2 PHE 20 2HD PHE 20 -12.542 5.310 -2.489
177 HE1 PHE 20 1HE PHE 20 -14.975 0.973 -2.520
178 HE2 PHE 20 2HE PHE 20 -14.969 5.244 -1.975
179 HZ PHE 20 HZ PHE 20 -16.189 3.077 -1.982
180 H GLN 21 H GLN 21 -9.934 4.403 -6.140
181 HA GLN 21 HA GLN 21 -12.548 4.396 -7.371
182 HB2 GLN 21 2HB GLN 21 -9.962 5.597 -8.419
183 HB3 GLN 21 3HB GLN 21 -11.595 6.001 -8.954
184 HG2 GLN 21 2HG GLN 21 -10.244 6.670 -6.334
185 HG3 GLN 21 3HG GLN 21 -10.860 7.779 -7.542
186 HE21 GLN 21 2HE2 GLN 21 -11.462 6.811 -4.511
187 HE22 GLN 21 1HE2 GLN 21 -13.231 6.894 -4.502
188 H ARG 22 H ARG 22 -9.453 2.875 -8.250
189 HA ARG 22 HA ARG 22 -10.557 1.826 -10.800
190 HB2 ARG 22 2HB ARG 22 -8.396 0.843 -11.187
191 HB3 ARG 22 3HB ARG 22 -8.210 2.549 -10.792
192 HG2 ARG 22 2HG ARG 22 -7.337 2.063 -8.622
193 HG3 ARG 22 3HG ARG 22 -7.874 0.378 -8.687
194 HD2 ARG 22 2HD ARG 22 -6.263 -0.012 -10.564
195 HD3 ARG 22 3HD ARG 22 -5.587 1.600 -10.239
196 HE ARG 22 HE ARG 22 -5.494 0.588 -7.764
197 HH11 ARG 22 2HH1 ARG 22 -4.371 -1.096 -10.689
198 HH12 ARG 22 1HH1 ARG 22 -3.388 -2.165 -9.675
199 HH21 ARG 22 2HH2 ARG 22 -4.261 -0.903 -6.714
200 HH22 ARG 22 1HH2 ARG 22 -3.306 -2.047 -7.680
201 H ASN 23 H ASN 23 -10.071 0.728 -7.529
202 HA ASN 23 HA ASN 23 -11.239 -1.945 -8.202
203 HB2 ASN 23 2HB ASN 23 -8.706 -1.942 -8.153
204 HB3 ASN 23 3HB ASN 23 -8.778 -1.454 -6.459
205 HD21 ASN 23 1HD2 ASN 23 -7.504 -3.803 -7.232
206 HD22 ASN 23 2HD2 ASN 23 -8.460 -5.179 -6.708
207 H HIS 24 H HIS 24 -13.139 -1.907 -7.148
208 HA HIS 24 HA HIS 24 -13.431 -0.569 -4.538
209 HB2 HIS 24 2HB HIS 24 -15.354 -1.902 -6.464
210 HB3 HIS 24 3HB HIS 24 -15.839 -1.376 -4.860
211 HD2 HIS 24 2HD HIS 24 -13.835 0.506 -7.702
212 HE1 HIS 24 1HE HIS 24 -16.922 3.072 -6.284
213 HE2 HIS 24 2HE HIS 24 -14.981 2.849 -7.919
214 H TYR 25 H TYR 25 -12.368 -3.644 -5.405
215 HA TYR 25 HA TYR 25 -12.884 -4.750 -2.730
216 HB2 TYR 25 2HB TYR 25 -13.921 -6.843 -3.751
217 HB3 TYR 25 3HB TYR 25 -14.914 -5.422 -3.599
218 HD1 TYR 25 1HD TYR 25 -15.775 -4.204 -5.513
219 HD2 TYR 25 2HD TYR 25 -13.272 -7.678 -6.039
220 HE1 TYR 25 1HE TYR 25 -16.397 -4.292 -7.924
221 HE2 TYR 25 2HE TYR 25 -13.900 -7.769 -8.439
222 HH TYR 25 HH TYR 25 -15.113 -6.811 -10.132
223 HA PRO 26 HA PRO 26 -8.880 -5.954 -4.806
224 HB2 PRO 26 2HB PRO 26 -7.073 -5.041 -2.988
225 HB3 PRO 26 3HB PRO 26 -7.810 -3.996 -4.227
226 HG2 PRO 26 2HG PRO 26 -8.706 -4.355 -1.351
227 HG3 PRO 26 3HG PRO 26 -8.382 -2.822 -2.224
228 HD2 PRO 26 2HD PRO 26 -10.906 -3.818 -1.994
229 HD3 PRO 26 3HD PRO 26 -10.366 -3.031 -3.510
230 H ASP 27 H ASP 27 -7.406 -7.531 -4.257
231 HA ASP 27 HA ASP 27 -8.389 -9.513 -2.234
232 HB2 ASP 27 2HB ASP 27 -8.922 -9.947 -4.668
233 HB3 ASP 27 3HB ASP 27 -7.190 -10.054 -4.972
234 H MET 28 H MET 28 -6.524 -11.321 -1.997
235 HA MET 28 HA MET 28 -4.418 -10.178 -0.548
236 HB2 MET 28 2HB MET 28 -3.342 -12.337 -0.583
237 HB3 MET 28 3HB MET 28 -5.078 -12.543 -0.374
238 HG2 MET 28 2HG MET 28 -5.359 -13.266 -2.655
239 HG3 MET 28 3HG MET 28 -3.730 -12.798 -3.097
240 HE1 MET 28 3HE MET 28 -1.663 -13.852 -1.176
241 HE2 MET 28 1HE MET 28 -1.371 -15.444 -1.907
242 HE3 MET 28 2HE MET 28 -1.677 -14.028 -2.942
243 H SER 29 H SER 29 -4.478 -10.652 -4.040
244 HA SER 29 HA SER 29 -1.604 -10.145 -4.342
245 HB2 SER 29 2HB SER 29 -3.780 -10.347 -6.452
246 HB3 SER 29 3HB SER 29 -2.030 -10.307 -6.743
247 HG SER 29 HG SER 29 -2.854 -12.454 -6.715
248 H THR 30 H THR 30 -4.666 -8.335 -4.945
249 HA THR 30 HA THR 30 -3.237 -6.003 -5.979
250 HB THR 30 HB THR 30 -5.702 -5.033 -5.704
251 HG1 THR 30 1HG THR 30 -6.435 -7.579 -6.418
252 HG21 THR 30 1HG2 THR 30 -4.811 -7.022 -7.839
253 HG22 THR 30 2HG2 THR 30 -4.524 -5.269 -7.837
254 HG23 THR 30 3HG2 THR 30 -6.176 -5.889 -7.996
255 H ARG 31 H ARG 31 -4.780 -6.843 -2.875
256 HA ARG 31 HA ARG 31 -4.374 -4.329 -1.586
257 HB2 ARG 31 2HB ARG 31 -4.325 -7.194 -0.533
258 HB3 ARG 31 3HB ARG 31 -4.239 -5.775 0.517
259 HG2 ARG 31 2HG ARG 31 -6.418 -4.969 -0.489
260 HG3 ARG 31 3HG ARG 31 -6.567 -6.529 -1.297
261 HD2 ARG 31 2HD ARG 31 -6.355 -6.090 1.692
262 HD3 ARG 31 3HD ARG 31 -7.858 -6.388 0.820
263 HE ARG 31 HE ARG 31 -5.661 -8.343 1.376
264 HH11 ARG 31 2HH2 ARG 31 -8.853 -8.030 -0.139
265 HH12 ARG 31 1HH2 ARG 31 -9.212 -9.690 0.237
266 HH21 ARG 31 2HH1 ARG 31 -6.088 -10.314 1.563
267 HH22 ARG 31 1HH1 ARG 31 -7.624 -11.032 1.054
268 H GLU 32 H GLU 32 -2.133 -7.127 -1.859
269 HA GLU 32 HA GLU 32 0.082 -5.846 -0.555
270 HB2 GLU 32 2HB GLU 32 -0.076 -8.046 -2.655
271 HB3 GLU 32 3HB GLU 32 1.459 -7.440 -2.014
272 HG2 GLU 32 2HG GLU 32 0.761 -7.992 0.275
273 HG3 GLU 32 3HG GLU 32 -0.765 -8.632 -0.326
274 H GLU 33 H GLU 33 -0.896 -5.891 -4.009
275 HA GLU 33 HA GLU 33 1.293 -4.531 -5.088
276 HB2 GLU 33 2HB GLU 33 -0.490 -5.581 -6.434
277 HB3 GLU 33 3HB GLU 33 -1.639 -4.351 -5.909
278 HG2 GLU 33 2HG GLU 33 -0.312 -2.600 -7.061
279 HG3 GLU 33 3HG GLU 33 0.800 -3.844 -7.633
280 H ILE 34 H ILE 34 -1.467 -3.003 -3.386
281 HA ILE 34 HA ILE 34 -0.313 -0.338 -3.904
282 HB ILE 34 HB ILE 34 -2.191 0.644 -3.164
283 HG12 ILE 34 2HG1 ILE 34 -4.031 -0.774 -1.864
284 HG13 ILE 34 3HG1 ILE 34 -2.631 -1.683 -1.313
285 HG21 ILE 34 1HG2 ILE 34 -3.375 -2.018 -3.992
286 HG22 ILE 34 2HG2 ILE 34 -4.041 -0.422 -4.252
287 HG23 ILE 34 3HG2 ILE 34 -2.577 -0.903 -5.135
288 HD11 ILE 34 3HD1 ILE 34 -3.096 1.327 -1.005
289 HD12 ILE 34 1HD1 ILE 34 -1.670 0.467 -0.390
290 HD13 ILE 34 2HD1 ILE 34 -3.259 0.097 0.261
291 H ALA 35 H ALA 35 -0.326 -2.698 -1.295
292 HA ALA 35 HA ALA 35 0.501 -0.929 0.808
293 HB1 ALA 35 1HB ALA 35 -0.631 -3.094 1.174
294 HB2 ALA 35 2HB ALA 35 0.776 -3.947 0.502
295 HB3 ALA 35 3HB ALA 35 0.922 -3.038 2.011
296 H VAL 36 H VAL 36 2.183 -2.709 -1.647
297 HA VAL 36 HA VAL 36 4.726 -3.049 -0.565
298 HB VAL 36 HB VAL 36 3.403 -3.079 -3.249
299 HG11 VAL 36 1HG1 VAL 36 6.423 -3.188 -3.156
300 HG12 VAL 36 2HG1 VAL 36 5.374 -3.670 -4.514
301 HG13 VAL 36 3HG1 VAL 36 5.406 -1.986 -4.003
302 HG21 VAL 36 3HG2 VAL 36 5.271 -5.086 -1.934
303 HG22 VAL 36 1HG2 VAL 36 3.526 -5.012 -1.629
304 HG23 VAL 36 2HG2 VAL 36 4.111 -5.366 -3.258
305 H TRP 37 H TRP 37 3.509 -0.137 -2.135
306 HA TRP 37 HA TRP 37 6.173 1.152 -1.733
307 HB2 TRP 37 2HB TRP 37 5.415 2.724 -3.545
308 HB3 TRP 37 3HB TRP 37 5.793 1.089 -4.032
309 HD1 TRP 37 1HD TRP 37 3.816 -0.515 -4.744
310 HE1 TRP 37 1HE TRP 37 1.409 -0.173 -5.404
311 HE3 TRP 37 3HE TRP 37 3.400 4.393 -3.448
312 HZ2 TRP 37 2HZ TRP 37 -0.519 2.055 -5.463
313 HZ3 TRP 37 3HZ TRP 37 1.259 5.625 -3.820
314 HH2 TRP 37 2HH TRP 37 -0.702 4.464 -4.789
315 H THR 38 H THR 38 3.404 0.936 -0.126
316 HA THR 38 HA THR 38 3.351 3.826 0.679
317 HB THR 38 HB THR 38 1.045 3.437 1.453
318 HG1 THR 38 1HG THR 38 0.877 1.162 -0.100
319 HG21 THR 38 1HG2 THR 38 1.494 4.341 -0.808
320 HG22 THR 38 2HG2 THR 38 0.019 3.348 -0.780
321 HG23 THR 38 3HG2 THR 38 1.527 2.704 -1.474
322 H ASN 39 H ASN 39 4.782 1.140 1.719
323 HA ASN 39 HA ASN 39 5.502 0.303 3.672
324 HB2 ASN 39 2HB ASN 39 6.272 2.735 3.851
325 HB3 ASN 39 3HB ASN 39 4.915 2.987 4.942
326 HD21 ASN 39 1HD2 ASN 39 6.721 3.617 6.440
327 HD22 ASN 39 2HD2 ASN 39 7.518 2.325 7.327
328 H LEU 40 H LEU 40 2.949 -0.380 3.061
329 HA LEU 40 HA LEU 40 1.661 -0.823 5.735
330 HB2 LEU 40 2HB LEU 40 0.432 -0.649 2.957
331 HB3 LEU 40 3HB LEU 40 -0.449 -1.173 4.374
332 HG LEU 40 HG LEU 40 0.736 1.604 3.976
333 HD11 LEU 40 1HD1 LEU 40 -2.141 0.597 3.922
334 HD12 LEU 40 2HD1 LEU 40 -1.612 2.289 3.768
335 HD13 LEU 40 3HD1 LEU 40 -1.185 1.119 2.513
336 HD21 LEU 40 3HD2 LEU 40 -0.985 0.415 6.196
337 HD22 LEU 40 1HD2 LEU 40 0.670 1.053 6.351
338 HD23 LEU 40 2HD2 LEU 40 -0.669 2.144 5.983
339 H THR 41 H THR 41 0.190 -2.866 5.504
340 HA THR 41 HA THR 41 1.467 -5.033 3.924
341 HB THR 41 HB THR 41 2.261 -5.335 6.227
342 HG1 THR 41 1HG THR 41 1.638 -7.462 6.336
343 HG21 THR 41 1HG2 THR 41 0.685 -6.055 7.996
344 HG22 THR 41 2HG2 THR 41 -0.689 -5.634 6.952
345 HG23 THR 41 3HG2 THR 41 0.425 -4.370 7.533
346 H GLU 42 H GLU 42 -0.135 -6.852 3.562
347 HA GLU 42 HA GLU 42 -2.364 -5.657 2.302
348 HB2 GLU 42 2HB GLU 42 -2.854 -7.704 1.428
349 HB3 GLU 42 3HB GLU 42 -1.138 -7.809 1.763
350 HG2 GLU 42 2HG GLU 42 -1.847 -9.864 2.462
351 HG3 GLU 42 3HG GLU 42 -1.867 -8.993 3.989
352 H ALA 43 H ALA 43 -2.163 -7.058 5.497
353 HA ALA 43 HA ALA 43 -4.956 -7.229 6.069
354 HB1 ALA 43 1HB ALA 43 -2.588 -6.844 7.950
355 HB2 ALA 43 2HB ALA 43 -4.215 -7.386 8.407
356 HB3 ALA 43 3HB ALA 43 -3.213 -8.399 7.351
357 H ARG 44 H ARG 44 -2.666 -4.493 6.402
358 HA ARG 44 HA ARG 44 -4.475 -2.637 7.720
359 HB2 ARG 44 2HB ARG 44 -2.157 -2.125 5.806
360 HB3 ARG 44 3HB ARG 44 -2.977 -0.883 6.723
361 HG2 ARG 44 2HG ARG 44 -1.570 -3.204 8.093
362 HG3 ARG 44 3HG ARG 44 -0.733 -1.717 7.626
363 HD2 ARG 44 2HD ARG 44 -2.271 -0.377 8.990
364 HD3 ARG 44 3HD ARG 44 -3.160 -1.837 9.445
365 HE ARG 44 HE ARG 44 -1.028 -2.676 10.485
366 HH11 ARG 44 2HH1 ARG 44 -1.464 0.833 10.297
367 HH12 ARG 44 1HH1 ARG 44 -0.507 1.078 11.731
368 HH21 ARG 44 2HH2 ARG 44 0.294 -2.214 12.197
369 HH22 ARG 44 1HH2 ARG 44 0.549 -0.558 12.669
370 H VAL 45 H VAL 45 -3.722 -3.310 4.306
371 HA VAL 45 HA VAL 45 -5.616 -1.441 3.215
372 HB VAL 45 HB VAL 45 -4.626 -3.983 1.877
373 HG11 VAL 45 1HG1 VAL 45 -6.438 -2.829 0.663
374 HG12 VAL 45 2HG1 VAL 45 -5.549 -1.294 0.775
375 HG13 VAL 45 3HG1 VAL 45 -4.905 -2.632 -0.189
376 HG21 VAL 45 3HG2 VAL 45 -2.840 -2.484 0.916
377 HG22 VAL 45 1HG2 VAL 45 -3.289 -1.259 2.124
378 HG23 VAL 45 2HG2 VAL 45 -2.636 -2.832 2.626
379 H ARG 46 H ARG 46 -5.907 -4.953 3.944
380 HA ARG 46 HA ARG 46 -8.591 -5.349 3.122
381 HB2 ARG 46 2HB ARG 46 -6.852 -7.082 3.854
382 HB3 ARG 46 3HB ARG 46 -7.204 -6.622 5.521
383 HG2 ARG 46 2HG ARG 46 -9.666 -7.205 4.977
384 HG3 ARG 46 3HG ARG 46 -9.046 -7.951 3.498
385 HD2 ARG 46 2HD ARG 46 -8.210 -8.638 6.355
386 HD3 ARG 46 3HD ARG 46 -9.375 -9.539 5.395
387 HE ARG 46 HE ARG 46 -6.450 -9.273 4.669
388 HH11 ARG 46 2HH2 ARG 46 -9.267 -11.384 4.883
389 HH12 ARG 46 1HH2 ARG 46 -8.326 -12.771 4.407
390 HH21 ARG 46 2HH1 ARG 46 -5.394 -10.974 4.127
391 HH22 ARG 46 1HH1 ARG 46 -6.149 -12.563 3.983
392 H VAL 47 H VAL 47 -7.384 -4.287 6.330
393 HA VAL 47 HA VAL 47 -9.944 -3.921 7.561
394 HB VAL 47 HB VAL 47 -7.222 -2.675 8.086
395 HG11 VAL 47 1HG1 VAL 47 -8.842 -1.071 8.973
396 HG12 VAL 47 2HG1 VAL 47 -9.767 -2.383 9.739
397 HG13 VAL 47 3HG1 VAL 47 -8.127 -1.981 10.302
398 HG21 VAL 47 3HG2 VAL 47 -7.554 -5.140 8.536
399 HG22 VAL 47 1HG2 VAL 47 -7.180 -4.194 9.976
400 HG23 VAL 47 2HG2 VAL 47 -8.856 -4.715 9.658
401 H TRP 48 H TRP 48 -7.900 -1.545 5.756
402 HA TRP 48 HA TRP 48 -9.698 0.639 6.105
403 HB2 TRP 48 2HB TRP 48 -7.288 0.700 5.326
404 HB3 TRP 48 3HB TRP 48 -7.850 0.184 3.745
405 HD1 TRP 48 1HD TRP 48 -7.612 3.169 6.031
406 HE1 TRP 48 1HE TRP 48 -8.349 5.304 4.817
407 HE3 TRP 48 3HE TRP 48 -9.627 1.061 1.819
408 HZ2 TRP 48 2HZ TRP 48 -9.565 6.015 2.297
409 HZ3 TRP 48 3HZ TRP 48 -10.613 2.479 0.056
410 HH2 TRP 48 2HH TRP 48 -10.623 4.952 0.293
411 H PHE 49 H PHE 49 -9.421 -1.660 3.343
412 HA PHE 49 HA PHE 49 -11.686 -0.567 1.936
413 HB2 PHE 49 2HB PHE 49 -9.959 -3.025 1.662
414 HB3 PHE 49 3HB PHE 49 -11.462 -2.929 0.774
415 HD1 PHE 49 2HD PHE 49 -8.172 -1.174 1.233
416 HD2 PHE 49 1HD PHE 49 -11.773 -1.507 -1.124
417 HE1 PHE 49 2HE PHE 49 -7.165 0.251 -0.518
418 HE2 PHE 49 1HE PHE 49 -10.740 -0.124 -2.861
419 HZ PHE 49 HZ PHE 49 -8.461 0.799 -2.567
420 H LYS 50 H LYS 50 -11.532 -2.948 4.530
421 HA LYS 50 HA LYS 50 -14.315 -3.808 4.221
422 HB2 LYS 50 2HB LYS 50 -12.614 -5.166 5.381
423 HB3 LYS 50 3HB LYS 50 -12.464 -3.926 6.638
424 HG2 LYS 50 2HG LYS 50 -14.819 -4.291 7.298
425 HG3 LYS 50 3HG LYS 50 -15.043 -5.403 5.943
426 HD2 LYS 50 2HD LYS 50 -14.798 -6.673 7.971
427 HD3 LYS 50 3HD LYS 50 -13.385 -6.960 6.947
428 HE2 LYS 50 2HE LYS 50 -12.058 -5.371 8.304
429 HE3 LYS 50 3HE LYS 50 -13.484 -4.989 9.281
430 HZ1 LYS 50 3HZ LYS 50 -13.514 -7.307 10.028
431 HZ2 LYS 50 1HZ LYS 50 -12.074 -6.633 10.384
432 HZ3 LYS 50 2HZ LYS 50 -12.200 -7.669 9.127
433 H ASN 51 H ASN 51 -12.671 -1.308 6.200
434 HA ASN 51 HA ASN 51 -15.126 -0.279 7.350
435 HB2 ASN 51 2HB ASN 51 -12.282 0.759 7.088
436 HB3 ASN 51 3HB ASN 51 -13.572 1.798 7.682
437 HD21 ASN 51 1HD2 ASN 51 -11.736 -1.154 8.382
438 HD22 ASN 51 2HD2 ASN 51 -12.205 -1.182 10.084
439 H ARG 52 H ARG 52 -13.378 0.593 4.338
440 HA ARG 52 HA ARG 52 -14.657 3.025 3.974
441 HB2 ARG 52 2HB ARG 52 -12.607 2.161 2.749
442 HB3 ARG 52 3HB ARG 52 -13.689 1.187 1.747
443 HG2 ARG 52 2HG ARG 52 -13.021 3.220 0.561
444 HG3 ARG 52 3HG ARG 52 -14.753 3.215 0.848
445 HD2 ARG 52 2HD ARG 52 -14.322 4.708 2.893
446 HD3 ARG 52 3HD ARG 52 -12.637 4.771 2.396
447 HE ARG 52 HE ARG 52 -13.211 6.270 0.724
448 HH11 ARG 52 2HH1 ARG 52 -16.280 4.821 1.784
449 HH12 ARG 52 1HH1 ARG 52 -17.171 6.154 1.038
450 HH21 ARG 52 2HH2 ARG 52 -14.524 7.877 -0.106
451 HH22 ARG 52 1HH2 ARG 52 -16.245 7.819 0.208
452 H ARG 53 H ARG 53 -15.890 -0.084 2.863
453 HA ARG 53 HA ARG 53 -18.159 1.091 1.452
454 HB2 ARG 53 2HB ARG 53 -18.941 -1.142 1.110
455 HB3 ARG 53 3HB ARG 53 -17.220 -1.018 0.784
456 HG2 ARG 53 2HG ARG 53 -16.934 -1.941 3.249
457 HG3 ARG 53 3HG ARG 53 -18.638 -2.387 3.102
458 HD2 ARG 53 2HD ARG 53 -17.303 -4.295 2.477
459 HD3 ARG 53 3HD ARG 53 -18.050 -3.655 1.007
460 HE ARG 53 HE ARG 53 -15.221 -3.062 1.876
461 HH11 ARG 53 2HH1 ARG 53 -17.311 -3.787 -0.889
462 HH12 ARG 53 1HH1 ARG 53 -16.025 -3.328 -1.991
463 HH21 ARG 53 2HH2 ARG 53 -13.803 -2.491 0.429
464 HH22 ARG 53 1HH2 ARG 53 -14.139 -2.670 -1.301
465 H ALA 54 H ALA 54 -17.666 -0.054 4.761
466 HA ALA 54 HA ALA 54 -20.425 0.281 5.584
467 HB1 ALA 54 1HB ALA 54 -18.762 -1.031 6.872
468 HB2 ALA 54 2HB ALA 54 -17.861 0.460 7.229
469 HB3 ALA 54 3HB ALA 54 -19.507 0.246 7.851
470 H LYS 55 H LYS 55 -17.591 2.483 5.501
471 HA LYS 55 HA LYS 55 -19.007 4.787 6.540
472 HB2 LYS 55 2HB LYS 55 -16.410 4.476 4.970
473 HB3 LYS 55 3HB LYS 55 -17.012 6.037 5.545
474 HG2 LYS 55 2HG LYS 55 -16.971 5.271 7.861
475 HG3 LYS 55 3HG LYS 55 -16.451 3.654 7.360
476 HD2 LYS 55 2HD LYS 55 -14.393 4.634 6.354
477 HD3 LYS 55 3HD LYS 55 -14.867 6.235 6.937
478 HE2 LYS 55 2HE LYS 55 -14.424 3.788 8.707
479 HE3 LYS 55 3HE LYS 55 -13.178 4.994 8.359
480 HZ1 LYS 55 3HZ LYS 55 -14.601 6.678 9.404
481 HZ2 LYS 55 1HZ LYS 55 -14.272 5.479 10.457
482 HZ3 LYS 55 2HZ LYS 55 -15.741 5.558 9.759
483 H TRP 56 H TRP 56 -18.516 3.575 3.187
484 HA TRP 56 HA TRP 56 -19.811 5.762 1.855
485 HB2 TRP 56 2HB TRP 56 -18.802 4.273 0.386
486 HB3 TRP 56 3HB TRP 56 -19.349 2.864 1.280
487 HD1 TRP 56 1HD TRP 56 -21.185 5.670 -0.631
488 HE1 TRP 56 1HE TRP 56 -23.188 4.640 -1.934
489 HE3 TRP 56 3HE TRP 56 -20.546 0.791 0.660
490 HZ2 TRP 56 2HZ TRP 56 -24.379 2.071 -2.253
491 HZ3 TRP 56 3HZ TRP 56 -22.162 -0.944 -0.107
492 HH2 TRP 56 2HH TRP 56 -24.076 -0.319 -1.564
493 H ARG 57 H ARG 57 -21.222 2.762 3.263
494 HA ARG 57 HA ARG 57 -23.931 3.458 2.739
495 HB2 ARG 57 2HB ARG 57 -22.596 1.617 4.749
496 HB3 ARG 57 3HB ARG 57 -24.361 1.776 4.673
497 HG2 ARG 57 2HG ARG 57 -24.363 1.037 2.326
498 HG3 ARG 57 3HG ARG 57 -22.598 1.015 2.318
499 HD2 ARG 57 2HD ARG 57 -23.341 -1.239 2.552
500 HD3 ARG 57 3HD ARG 57 -22.596 -0.725 4.077
501 HE ARG 57 HE ARG 57 -25.442 -0.275 4.149
502 HH11 ARG 57 2HH1 ARG 57 -23.203 -2.964 4.311
503 HH12 ARG 57 1HH1 ARG 57 -24.307 -3.944 5.236
504 HH21 ARG 57 2HH2 ARG 57 -26.797 -1.575 5.336
505 HH22 ARG 57 1HH2 ARG 57 -26.289 -3.173 5.794
506 H LYS 58 H LYS 58 -21.927 4.530 5.431
507 HA LYS 58 HA LYS 58 -24.096 5.821 6.921
508 HB2 LYS 58 2HB LYS 58 -21.070 6.014 6.950
509 HB3 LYS 58 3HB LYS 58 -22.006 7.324 7.638
510 HG2 LYS 58 2HG LYS 58 -21.474 5.940 9.429
511 HG3 LYS 58 3HG LYS 58 -23.197 5.711 9.124
512 HD2 LYS 58 2HD LYS 58 -22.717 3.558 7.993
513 HD3 LYS 58 3HD LYS 58 -20.967 3.843 8.220
514 HE2 LYS 58 2HE LYS 58 -21.179 3.816 10.610
515 HE3 LYS 58 3HE LYS 58 -22.946 3.706 10.517
516 HZ1 LYS 58 3HZ LYS 58 -22.683 1.517 9.472
517 HZ2 LYS 58 1HZ LYS 58 -21.958 1.533 10.932
518 HZ3 LYS 58 2HZ LYS 58 -21.051 1.617 9.578
519 H ARG 59 H ARG 59 -21.926 6.893 4.347
520 HA ARG 59 HA ARG 59 -22.866 9.697 4.446
521 HB2 ARG 59 2HB ARG 59 -20.903 8.178 2.698
522 HB3 ARG 59 3HB ARG 59 -21.202 9.922 2.574
523 HG2 ARG 59 2HG ARG 59 -20.279 10.321 4.772
524 HG3 ARG 59 3HG ARG 59 -20.097 8.578 5.074
525 HD2 ARG 59 2HD ARG 59 -18.584 8.381 3.127
526 HD3 ARG 59 3HD ARG 59 -18.784 10.113 2.788
527 HE ARG 59 HE ARG 59 -17.813 9.733 5.462
528 HH11 ARG 59 2HH2 ARG 59 -16.670 9.604 2.114
529 HH12 ARG 59 1HH2 ARG 59 -15.035 9.984 2.598
530 HH21 ARG 59 2HH1 ARG 59 -15.695 10.205 5.959
531 HH22 ARG 59 1HH1 ARG 59 -14.500 10.290 4.700
532 H GLU 60 H GLU 60 -23.403 6.920 2.422
533 HA GLU 60 HA GLU 60 -24.413 6.473 0.492
534 HB2 GLU 60 2HB GLU 60 -26.357 8.641 1.320
535 HB3 GLU 60 3HB GLU 60 -26.603 7.476 0.008
536 HG2 GLU 60 2HG GLU 60 -26.342 5.594 1.600
537 HG3 GLU 60 3HG GLU 60 -26.156 6.734 2.934
538 H GLU 61 H GLU 61 -22.160 7.690 0.119
539 HA GLU 61 HA GLU 61 -22.016 9.984 -1.556
540 HB2 GLU 61 2HB GLU 61 -20.259 7.496 -1.486
541 HB3 GLU 61 3HB GLU 61 -19.817 9.000 -2.282
542 HG2 GLU 61 2HG GLU 61 -19.690 10.207 -0.225
543 HG3 GLU 61 3HG GLU 61 -20.509 8.928 0.659
544 H PHE 62 H PHE 62 -22.718 6.650 -2.367
545 HA PHE 62 HA PHE 62 -23.518 7.388 -5.129
546 HB2 PHE 62 2HB PHE 62 -21.366 6.249 -5.265
547 HB3 PHE 62 3HB PHE 62 -21.935 4.949 -4.233
548 HD1 PHE 62 1HD PHE 62 -22.671 6.614 -7.532
549 HD2 PHE 62 2HD PHE 62 -22.939 3.019 -5.160
550 HE1 PHE 62 1HE PHE 62 -23.561 5.378 -9.497
551 HE2 PHE 62 2HE PHE 62 -23.806 1.786 -7.129
552 HZ PHE 62 HZ PHE 62 -24.133 2.965 -9.298
553 H ILE 63 H ILE 63 -25.374 6.419 -5.837
554 HA ILE 63 HA ILE 63 -26.830 4.451 -4.172
555 HB ILE 63 HB ILE 63 -28.066 7.067 -5.107
556 HG12 ILE 63 2HG1 ILE 63 -27.406 6.061 -2.297
557 HG13 ILE 63 3HG1 ILE 63 -26.671 7.438 -3.126
558 HG21 ILE 63 1HG2 ILE 63 -29.628 5.131 -5.267
559 HG22 ILE 63 2HG2 ILE 63 -29.296 4.728 -3.567
560 HG23 ILE 63 3HG2 ILE 63 -30.122 6.238 -4.012
561 HD11 ILE 63 3HD1 ILE 63 -28.930 8.548 -3.176
562 HD12 ILE 63 1HD1 ILE 63 -28.204 8.334 -1.570
563 HD13 ILE 63 2HD1 ILE 63 -29.503 7.253 -2.089
564 H VAL 64 H VAL 64 -27.793 2.937 -5.473
565 HA VAL 64 HA VAL 64 -27.375 3.044 -8.364
566 HB VAL 64 HB VAL 64 -28.824 0.976 -6.671
567 HG11 VAL 64 1HG1 VAL 64 -27.844 0.865 -9.563
568 HG12 VAL 64 2HG1 VAL 64 -28.429 -0.525 -8.627
569 HG13 VAL 64 3HG1 VAL 64 -29.536 0.789 -9.011
570 HG21 VAL 64 3HG2 VAL 64 -26.747 -0.349 -6.945
571 HG22 VAL 64 1HG2 VAL 64 -25.992 1.003 -7.817
572 HG23 VAL 64 2HG2 VAL 64 -26.406 1.162 -6.097
573 H THR 65 H THR 65 -28.746 3.714 -9.873
574 HA THR 65 HA THR 65 -31.541 4.433 -9.110
575 HB THR 65 HB THR 65 -29.893 6.225 -9.679
576 HG1 THR 65 1HG THR 65 -31.405 7.382 -10.837
577 HG21 THR 65 1HG2 THR 65 -30.299 5.276 -12.548
578 HG22 THR 65 2HG2 THR 65 -28.784 5.141 -11.626
579 HG23 THR 65 3HG2 THR 65 -29.441 6.737 -12.015
580 H ASP 66 H ASP 66 -29.957 2.094 -10.889
581 HA ASP 66 HA ASP 66 -31.701 1.820 -13.183
582 HB2 ASP 66 2HB ASP 66 -29.378 1.031 -13.159
583 HB3 ASP 66 3HB ASP 66 -29.758 -0.120 -11.884
Start of MODEL 16
1 H1 GLY -1 1H GLY -1 -20.069 -1.214 21.873
2 H2 GLY -1 2H GLY -1 -20.449 -2.292 23.048
3 H3 GLY -1 3H GLY -1 -20.070 -2.820 21.545
4 HA2 GLY -1 2HA GLY -1 -18.219 -3.193 23.040
5 HA3 GLY -1 3HA GLY -1 -17.809 -2.047 21.751
6 H SER 0 H SER 0 -16.894 -2.457 24.665
7 HA SER 0 HA SER 0 -17.806 -0.258 26.230
8 HB2 SER 0 2HB SER 0 -15.210 -1.817 26.492
9 HB3 SER 0 3HB SER 0 -16.020 -0.888 27.765
10 HG SER 0 HG SER 0 -17.750 -2.352 27.687
11 H GLN 1 H GLN 1 -15.354 -0.299 23.749
12 HA GLN 1 HA GLN 1 -13.798 1.973 24.601
13 HB2 GLN 1 2HB GLN 1 -14.308 0.655 21.906
14 HB3 GLN 1 3HB GLN 1 -13.320 2.107 22.067
15 HG2 GLN 1 2HG GLN 1 -11.774 0.970 23.588
16 HG3 GLN 1 3HG GLN 1 -12.759 -0.500 23.536
17 HE21 GLN 1 2HE2 GLN 1 -11.277 1.801 21.090
18 HE22 GLN 1 1HE2 GLN 1 -10.687 0.498 20.078
19 H ARG 2 H ARG 2 -13.888 4.114 24.014
20 HA ARG 2 HA ARG 2 -16.382 5.182 22.695
21 HB2 ARG 2 2HB ARG 2 -14.429 6.582 24.559
22 HB3 ARG 2 3HB ARG 2 -15.865 7.301 23.848
23 HG2 ARG 2 2HG ARG 2 -15.875 5.017 25.878
24 HG3 ARG 2 3HG ARG 2 -16.127 6.720 26.219
25 HD2 ARG 2 2HD ARG 2 -18.272 5.820 26.202
26 HD3 ARG 2 3HD ARG 2 -18.134 6.667 24.652
27 HE ARG 2 HE ARG 2 -17.369 3.994 24.176
28 HH11 ARG 2 2HH1 ARG 2 -20.346 5.562 25.156
29 HH12 ARG 2 1HH1 ARG 2 -21.325 4.281 24.494
30 HH21 ARG 2 2HH2 ARG 2 -18.619 2.422 23.409
31 HH22 ARG 2 1HH2 ARG 2 -20.357 2.523 23.525
32 H ARG 3 H ARG 3 -13.079 4.675 22.152
33 HA ARG 3 HA ARG 3 -13.090 6.360 19.702
34 HB2 ARG 3 2HB ARG 3 -10.903 6.411 21.840
35 HB3 ARG 3 3HB ARG 3 -10.738 7.091 20.222
36 HG2 ARG 3 2HG ARG 3 -12.647 8.641 20.688
37 HG3 ARG 3 3HG ARG 3 -12.719 8.016 22.350
38 HD2 ARG 3 2HD ARG 3 -10.385 8.733 22.728
39 HD3 ARG 3 3HD ARG 3 -10.315 9.378 21.074
40 HE ARG 3 HE ARG 3 -12.554 10.549 22.354
41 HH11 ARG 3 2HH1 ARG 3 -9.070 10.705 22.681
42 HH12 ARG 3 1HH1 ARG 3 -9.113 12.320 23.338
43 HH21 ARG 3 2HH2 ARG 3 -12.538 12.604 23.199
44 HH22 ARG 3 1HH2 ARG 3 -11.030 13.361 23.619
45 H GLN 4 H GLN 4 -11.524 5.798 18.184
46 HA GLN 4 HA GLN 4 -9.983 3.267 18.500
47 HB2 GLN 4 2HB GLN 4 -11.946 4.009 16.325
48 HB3 GLN 4 3HB GLN 4 -10.491 3.129 15.875
49 HG2 GLN 4 2HG GLN 4 -12.322 2.132 18.094
50 HG3 GLN 4 3HG GLN 4 -12.583 1.744 16.395
51 HE21 GLN 4 2HE2 GLN 4 -10.936 0.455 15.236
52 HE22 GLN 4 1HE2 GLN 4 -9.810 -0.517 16.176
53 H ARG 5 H ARG 5 -7.920 3.771 18.342
54 HA ARG 5 HA ARG 5 -6.894 6.258 17.294
55 HB2 ARG 5 2HB ARG 5 -5.866 4.978 19.149
56 HB3 ARG 5 3HB ARG 5 -5.440 3.679 18.027
57 HG2 ARG 5 2HG ARG 5 -3.948 5.212 16.787
58 HG3 ARG 5 3HG ARG 5 -4.439 6.559 17.835
59 HD2 ARG 5 2HD ARG 5 -3.504 5.330 19.803
60 HD3 ARG 5 3HD ARG 5 -3.032 4.009 18.739
61 HE ARG 5 HE ARG 5 -1.251 5.253 17.904
62 HH11 ARG 5 2HH1 ARG 5 -3.140 7.391 19.948
63 HH12 ARG 5 1HH1 ARG 5 -1.901 8.616 19.955
64 HH21 ARG 5 2HH2 ARG 5 0.275 6.857 17.959
65 HH22 ARG 5 1HH2 ARG 5 -0.025 8.316 18.857
66 H THR 6 H THR 6 -6.013 6.790 15.381
67 HA THR 6 HA THR 6 -6.183 4.882 13.112
68 HB THR 6 HB THR 6 -5.615 7.865 13.112
69 HG1 THR 6 1HG THR 6 -7.754 8.009 12.467
70 HG21 THR 6 1HG2 THR 6 -6.259 7.701 10.704
71 HG22 THR 6 2HG2 THR 6 -6.317 5.930 10.850
72 HG23 THR 6 3HG2 THR 6 -4.779 6.810 11.054
73 H HIS 7 H HIS 7 -4.442 3.762 12.497
74 HA HIS 7 HA HIS 7 -1.709 4.602 13.287
75 HB2 HIS 7 2HB HIS 7 -2.747 2.111 11.897
76 HB3 HIS 7 3HB HIS 7 -1.092 2.363 12.435
77 HD2 HIS 7 2HD HIS 7 -1.337 3.322 15.366
78 HE1 HIS 7 1HE HIS 7 -3.873 -0.031 16.083
79 HE2 HIS 7 2HE HIS 7 -2.398 1.729 17.179
80 H PHE 8 H PHE 8 -3.681 4.784 10.451
81 HA PHE 8 HA PHE 8 -1.573 4.793 8.479
82 HB2 PHE 8 2HB PHE 8 -4.389 5.908 8.321
83 HB3 PHE 8 3HB PHE 8 -3.291 5.642 6.971
84 HD1 PHE 8 1HD PHE 8 -5.460 3.969 9.485
85 HD2 PHE 8 2HD PHE 8 -2.915 3.423 6.047
86 HE1 PHE 8 1HE PHE 8 -6.328 1.661 9.212
87 HE2 PHE 8 2HE PHE 8 -3.815 1.127 5.754
88 HZ PHE 8 HZ PHE 8 -5.503 0.236 7.353
89 H THR 9 H THR 9 -0.938 6.588 7.154
90 HA THR 9 HA THR 9 -0.708 9.167 8.638
91 HB THR 9 HB THR 9 1.137 9.746 7.379
92 HG1 THR 9 1HG THR 9 1.790 8.576 5.540
93 HG21 THR 9 1HG2 THR 9 1.636 7.862 8.945
94 HG22 THR 9 2HG2 THR 9 2.738 7.941 7.554
95 HG23 THR 9 3HG2 THR 9 1.440 6.729 7.591
96 H SER 10 H SER 10 -1.049 11.183 7.552
97 HA SER 10 HA SER 10 -3.346 11.369 5.923
98 HB2 SER 10 2HB SER 10 -1.163 13.448 6.115
99 HB3 SER 10 3HB SER 10 -2.893 13.679 5.766
100 HG SER 10 HG SER 10 -2.376 14.169 7.956
101 H GLN 11 H GLN 11 -0.279 10.335 4.869
102 HA GLN 11 HA GLN 11 -0.780 11.139 2.045
103 HB2 GLN 11 2HB GLN 11 1.451 11.572 3.084
104 HB3 GLN 11 3HB GLN 11 1.668 9.827 3.281
105 HG2 GLN 11 2HG GLN 11 1.495 9.532 0.816
106 HG3 GLN 11 3HG GLN 11 1.216 11.267 0.626
107 HE21 GLN 11 2HE2 GLN 11 3.046 12.760 1.220
108 HE22 GLN 11 1HE2 GLN 11 4.681 12.122 1.145
109 H GLN 12 H GLN 12 -0.376 8.203 4.123
110 HA GLN 12 HA GLN 12 -0.604 6.234 2.052
111 HB2 GLN 12 2HB GLN 12 -1.390 6.207 4.993
112 HB3 GLN 12 3HB GLN 12 -1.438 4.776 3.949
113 HG2 GLN 12 2HG GLN 12 0.925 4.890 3.519
114 HG3 GLN 12 3HG GLN 12 1.093 6.380 4.441
115 HE21 GLN 12 2HE2 GLN 12 2.278 3.642 4.832
116 HE22 GLN 12 1HE2 GLN 12 1.888 3.232 6.497
117 H LEU 13 H LEU 13 -3.047 7.808 4.086
118 HA LEU 13 HA LEU 13 -5.397 6.510 3.230
119 HB2 LEU 13 2HB LEU 13 -4.882 9.390 4.071
120 HB3 LEU 13 3HB LEU 13 -6.487 8.672 3.946
121 HG LEU 13 HG LEU 13 -4.314 7.511 5.758
122 HD11 LEU 13 1HD1 LEU 13 -5.326 8.679 7.615
123 HD12 LEU 13 2HD1 LEU 13 -4.769 9.840 6.408
124 HD13 LEU 13 3HD1 LEU 13 -6.505 9.467 6.526
125 HD21 LEU 13 3HD2 LEU 13 -7.312 7.143 5.669
126 HD22 LEU 13 1HD2 LEU 13 -6.037 5.936 5.295
127 HD23 LEU 13 2HD2 LEU 13 -6.237 6.526 6.946
128 H GLN 14 H GLN 14 -3.566 9.010 1.552
129 HA GLN 14 HA GLN 14 -5.654 9.733 -0.335
130 HB2 GLN 14 2HB GLN 14 -2.665 10.054 -0.752
131 HB3 GLN 14 3HB GLN 14 -3.967 10.941 -1.532
132 HG2 GLN 14 2HG GLN 14 -3.105 11.085 1.365
133 HG3 GLN 14 3HG GLN 14 -2.859 12.326 0.147
134 HE21 GLN 14 2HE2 GLN 14 -4.253 12.406 2.777
135 HE22 GLN 14 1HE2 GLN 14 -5.881 13.006 2.413
136 H GLU 15 H GLU 15 -2.920 7.430 -0.387
137 HA GLU 15 HA GLU 15 -3.382 6.596 -3.144
138 HB2 GLU 15 2HB GLU 15 -1.839 5.156 -0.962
139 HB3 GLU 15 3HB GLU 15 -1.728 4.889 -2.699
140 HG2 GLU 15 2HG GLU 15 -0.804 7.307 -1.112
141 HG3 GLU 15 3HG GLU 15 0.191 6.164 -1.990
142 H LEU 16 H LEU 16 -4.500 5.470 0.018
143 HA LEU 16 HA LEU 16 -5.804 3.076 -0.909
144 HB2 LEU 16 2HB LEU 16 -6.156 4.884 1.506
145 HB3 LEU 16 3HB LEU 16 -7.082 3.410 1.278
146 HG LEU 16 HG LEU 16 -4.048 3.306 1.176
147 HD11 LEU 16 1HD1 LEU 16 -4.599 4.428 3.271
148 HD12 LEU 16 2HD1 LEU 16 -5.759 3.144 3.671
149 HD13 LEU 16 3HD1 LEU 16 -4.025 2.780 3.564
150 HD21 LEU 16 3HD2 LEU 16 -6.194 1.294 1.969
151 HD22 LEU 16 1HD2 LEU 16 -5.289 1.318 0.437
152 HD23 LEU 16 2HD2 LEU 16 -4.440 1.003 1.959
153 H GLU 17 H GLU 17 -7.195 6.384 -0.226
154 HA GLU 17 HA GLU 17 -9.701 5.622 -1.435
155 HB2 GLU 17 2HB GLU 17 -10.458 7.793 -1.092
156 HB3 GLU 17 3HB GLU 17 -9.417 7.424 0.278
157 HG2 GLU 17 2HG GLU 17 -7.605 8.779 -0.750
158 HG3 GLU 17 3HG GLU 17 -8.630 9.116 -2.139
159 H ALA 18 H ALA 18 -6.775 6.841 -2.955
160 HA ALA 18 HA ALA 18 -8.112 7.446 -5.481
161 HB1 ALA 18 1HB ALA 18 -5.815 7.609 -6.360
162 HB2 ALA 18 2HB ALA 18 -6.005 8.539 -4.863
163 HB3 ALA 18 3HB ALA 18 -5.172 6.965 -4.834
164 H THR 19 H THR 19 -6.236 4.587 -4.261
165 HA THR 19 HA THR 19 -6.666 3.172 -6.745
166 HB THR 19 HB THR 19 -4.781 2.886 -5.011
167 HG1 THR 19 1HG THR 19 -4.559 0.752 -5.831
168 HG21 THR 19 1HG2 THR 19 -6.503 0.588 -4.043
169 HG22 THR 19 2HG2 THR 19 -6.461 2.140 -3.170
170 HG23 THR 19 3HG2 THR 19 -4.980 1.233 -3.366
171 H PHE 20 H PHE 20 -8.513 3.417 -3.806
172 HA PHE 20 HA PHE 20 -10.437 1.396 -4.115
173 HB2 PHE 20 2HB PHE 20 -10.296 2.871 -2.178
174 HB3 PHE 20 3HB PHE 20 -10.714 4.265 -3.147
175 HD1 PHE 20 2HD PHE 20 -13.066 4.473 -4.077
176 HD2 PHE 20 1HD PHE 20 -11.972 1.468 -1.204
177 HE1 PHE 20 2HE PHE 20 -15.468 4.093 -3.560
178 HE2 PHE 20 1HE PHE 20 -14.369 1.054 -0.713
179 HZ PHE 20 HZ PHE 20 -16.123 2.373 -1.888
180 H GLN 21 H GLN 21 -10.054 4.409 -5.993
181 HA GLN 21 HA GLN 21 -12.643 4.305 -7.215
182 HB2 GLN 21 2HB GLN 21 -10.108 5.576 -8.307
183 HB3 GLN 21 3HB GLN 21 -11.761 5.948 -8.803
184 HG2 GLN 21 2HG GLN 21 -10.350 6.620 -6.217
185 HG3 GLN 21 3HG GLN 21 -10.992 7.730 -7.408
186 HE21 GLN 21 2HE2 GLN 21 -11.506 6.904 -4.371
187 HE22 GLN 21 1HE2 GLN 21 -13.272 6.962 -4.307
188 H ARG 22 H ARG 22 -9.513 2.902 -8.184
189 HA ARG 22 HA ARG 22 -10.643 1.820 -10.707
190 HB2 ARG 22 2HB ARG 22 -8.423 0.957 -11.138
191 HB3 ARG 22 3HB ARG 22 -8.370 2.687 -10.787
192 HG2 ARG 22 2HG ARG 22 -7.521 2.243 -8.533
193 HG3 ARG 22 3HG ARG 22 -7.700 0.495 -8.766
194 HD2 ARG 22 2HD ARG 22 -5.421 0.910 -9.045
195 HD3 ARG 22 3HD ARG 22 -6.050 0.673 -10.670
196 HE ARG 22 HE ARG 22 -5.749 2.975 -11.153
197 HH11 ARG 22 2HH1 ARG 22 -4.720 2.349 -7.836
198 HH12 ARG 22 1HH1 ARG 22 -3.778 3.817 -7.788
199 HH21 ARG 22 2HH2 ARG 22 -4.584 4.844 -10.959
200 HH22 ARG 22 1HH2 ARG 22 -3.744 5.204 -9.482
201 H ASN 23 H ASN 23 -9.997 0.719 -7.469
202 HA ASN 23 HA ASN 23 -11.144 -1.959 -8.100
203 HB2 ASN 23 2HB ASN 23 -8.616 -2.010 -8.196
204 HB3 ASN 23 3HB ASN 23 -8.576 -1.463 -6.519
205 HD21 ASN 23 1HD2 ASN 23 -7.339 -3.822 -7.110
206 HD22 ASN 23 2HD2 ASN 23 -8.305 -5.183 -6.561
207 H HIS 24 H HIS 24 -13.026 -1.708 -6.950
208 HA HIS 24 HA HIS 24 -13.111 -0.288 -4.390
209 HB2 HIS 24 2HB HIS 24 -15.173 -1.787 -6.045
210 HB3 HIS 24 3HB HIS 24 -15.532 -1.068 -4.482
211 HD2 HIS 24 2HD HIS 24 -13.813 0.402 -7.724
212 HE1 HIS 24 1HE HIS 24 -16.806 3.134 -6.414
213 HE2 HIS 24 2HE HIS 24 -15.007 2.689 -8.169
214 H TYR 25 H TYR 25 -12.299 -3.504 -5.212
215 HA TYR 25 HA TYR 25 -12.626 -4.452 -2.449
216 HB2 TYR 25 2HB TYR 25 -13.843 -6.525 -3.259
217 HB3 TYR 25 3HB TYR 25 -14.749 -5.044 -3.111
218 HD1 TYR 25 2HD TYR 25 -15.702 -3.888 -5.020
219 HD2 TYR 25 1HD TYR 25 -13.453 -7.532 -5.528
220 HE1 TYR 25 2HE TYR 25 -16.541 -4.083 -7.358
221 HE2 TYR 25 1HE TYR 25 -14.300 -7.733 -7.853
222 HH TYR 25 HH TYR 25 -15.607 -6.810 -9.493
223 HA PRO 26 HA PRO 26 -8.804 -5.940 -4.676
224 HB2 PRO 26 2HB PRO 26 -6.919 -5.097 -2.897
225 HB3 PRO 26 3HB PRO 26 -7.616 -4.037 -4.142
226 HG2 PRO 26 2HG PRO 26 -8.501 -4.287 -1.249
227 HG3 PRO 26 3HG PRO 26 -8.089 -2.789 -2.150
228 HD2 PRO 26 2HD PRO 26 -10.653 -3.622 -1.880
229 HD3 PRO 26 3HD PRO 26 -10.087 -2.917 -3.425
230 H ASP 27 H ASP 27 -7.335 -7.574 -4.043
231 HA ASP 27 HA ASP 27 -8.310 -9.409 -1.882
232 HB2 ASP 27 2HB ASP 27 -8.869 -10.047 -4.284
233 HB3 ASP 27 3HB ASP 27 -7.141 -10.181 -4.578
234 H MET 28 H MET 28 -6.454 -11.165 -1.494
235 HA MET 28 HA MET 28 -4.341 -9.891 -0.190
236 HB2 MET 28 2HB MET 28 -3.236 -12.025 -0.040
237 HB3 MET 28 3HB MET 28 -4.968 -12.232 0.202
238 HG2 MET 28 2HG MET 28 -5.254 -13.163 -2.004
239 HG3 MET 28 3HG MET 28 -3.628 -12.729 -2.493
240 HE1 MET 28 3HE MET 28 -1.555 -13.587 -0.471
241 HE2 MET 28 1HE MET 28 -1.252 -15.236 -1.053
242 HE3 MET 28 2HE MET 28 -1.563 -13.923 -2.214
243 H SER 29 H SER 29 -4.383 -10.714 -3.634
244 HA SER 29 HA SER 29 -1.521 -10.192 -3.974
245 HB2 SER 29 2HB SER 29 -3.692 -10.584 -6.063
246 HB3 SER 29 3HB SER 29 -1.941 -10.562 -6.352
247 HG SER 29 HG SER 29 -2.757 -12.703 -6.142
248 H THR 30 H THR 30 -4.582 -8.441 -4.719
249 HA THR 30 HA THR 30 -3.169 -6.184 -5.933
250 HB THR 30 HB THR 30 -5.617 -5.183 -5.667
251 HG1 THR 30 1HG THR 30 -6.387 -7.765 -6.183
252 HG21 THR 30 1HG2 THR 30 -4.499 -5.587 -7.810
253 HG22 THR 30 2HG2 THR 30 -6.164 -6.187 -7.876
254 HG23 THR 30 3HG2 THR 30 -4.813 -7.330 -7.680
255 H ARG 31 H ARG 31 -4.651 -6.848 -2.776
256 HA ARG 31 HA ARG 31 -4.256 -4.305 -1.546
257 HB2 ARG 31 2HB ARG 31 -3.984 -7.147 -0.457
258 HB3 ARG 31 3HB ARG 31 -3.961 -5.723 0.570
259 HG2 ARG 31 2HG ARG 31 -6.272 -5.191 0.064
260 HG3 ARG 31 3HG ARG 31 -6.319 -6.397 -1.220
261 HD2 ARG 31 2HD ARG 31 -5.688 -8.120 0.570
262 HD3 ARG 31 3HD ARG 31 -6.139 -6.889 1.762
263 HE ARG 31 HE ARG 31 -8.297 -7.025 -0.007
264 HH11 ARG 31 2HH2 ARG 31 -6.646 -9.533 1.846
265 HH12 ARG 31 1HH2 ARG 31 -8.054 -10.570 1.781
266 HH21 ARG 31 1HH1 ARG 31 -9.945 -8.375 -0.081
267 HH22 ARG 31 2HH1 ARG 31 -9.927 -9.895 0.784
268 H GLU 32 H GLU 32 -1.975 -7.078 -1.850
269 HA GLU 32 HA GLU 32 0.208 -5.720 -0.566
270 HB2 GLU 32 2HB GLU 32 0.052 -8.076 -2.456
271 HB3 GLU 32 3HB GLU 32 1.602 -7.450 -1.883
272 HG2 GLU 32 2HG GLU 32 -0.623 -8.145 0.059
273 HG3 GLU 32 3HG GLU 32 0.467 -9.371 -0.544
274 H GLU 33 H GLU 33 -0.725 -5.935 -4.029
275 HA GLU 33 HA GLU 33 1.436 -4.498 -5.088
276 HB2 GLU 33 2HB GLU 33 -0.220 -5.708 -6.425
277 HB3 GLU 33 3HB GLU 33 -1.464 -4.519 -6.029
278 HG2 GLU 33 2HG GLU 33 -0.306 -2.772 -7.239
279 HG3 GLU 33 3HG GLU 33 1.109 -3.790 -7.455
280 H ILE 34 H ILE 34 -1.381 -3.058 -3.396
281 HA ILE 34 HA ILE 34 -0.297 -0.356 -3.953
282 HB ILE 34 HB ILE 34 -2.190 0.600 -3.215
283 HG12 ILE 34 2HG1 ILE 34 -4.018 -0.847 -1.927
284 HG13 ILE 34 3HG1 ILE 34 -2.601 -1.723 -1.369
285 HG21 ILE 34 1HG2 ILE 34 -3.330 -2.071 -4.072
286 HG22 ILE 34 2HG2 ILE 34 -4.038 -0.489 -4.301
287 HG23 ILE 34 3HG2 ILE 34 -2.569 -0.925 -5.203
288 HD11 ILE 34 3HD1 ILE 34 -3.265 0.021 0.213
289 HD12 ILE 34 1HD1 ILE 34 -3.141 1.271 -1.045
290 HD13 ILE 34 2HD1 ILE 34 -1.690 0.443 -0.439
291 H ALA 35 H ALA 35 -0.275 -2.713 -1.334
292 HA ALA 35 HA ALA 35 0.503 -0.894 0.748
293 HB1 ALA 35 1HB ALA 35 0.739 -3.916 0.515
294 HB2 ALA 35 2HB ALA 35 0.887 -2.982 2.001
295 HB3 ALA 35 3HB ALA 35 -0.662 -3.022 1.156
296 H VAL 36 H VAL 36 2.237 -2.714 -1.632
297 HA VAL 36 HA VAL 36 4.785 -3.019 -0.545
298 HB VAL 36 HB VAL 36 3.492 -3.041 -3.239
299 HG11 VAL 36 1HG1 VAL 36 6.514 -3.094 -3.093
300 HG12 VAL 36 2HG1 VAL 36 5.500 -3.586 -4.474
301 HG13 VAL 36 3HG1 VAL 36 5.490 -1.906 -3.949
302 HG21 VAL 36 3HG2 VAL 36 5.389 -5.017 -1.909
303 HG22 VAL 36 1HG2 VAL 36 3.639 -4.983 -1.621
304 HG23 VAL 36 2HG2 VAL 36 4.249 -5.316 -3.248
305 H TRP 37 H TRP 37 3.523 -0.121 -2.133
306 HA TRP 37 HA TRP 37 6.158 1.215 -1.710
307 HB2 TRP 37 2HB TRP 37 5.392 2.755 -3.540
308 HB3 TRP 37 3HB TRP 37 5.809 1.123 -4.007
309 HD1 TRP 37 1HD TRP 37 3.847 -0.541 -4.712
310 HE1 TRP 37 1HE TRP 37 1.471 -0.219 -5.467
311 HE3 TRP 37 3HE TRP 37 3.370 4.406 -3.557
312 HZ2 TRP 37 2HZ TRP 37 -0.452 1.992 -5.669
313 HZ3 TRP 37 3HZ TRP 37 1.252 5.618 -4.073
314 HH2 TRP 37 2HH TRP 37 -0.665 4.419 -5.093
315 H THR 38 H THR 38 3.393 0.950 -0.127
316 HA THR 38 HA THR 38 3.321 3.825 0.728
317 HB THR 38 HB THR 38 1.001 3.451 1.439
318 HG1 THR 38 1HG THR 38 0.841 1.185 -0.132
319 HG21 THR 38 1HG2 THR 38 1.517 2.733 -1.494
320 HG22 THR 38 2HG2 THR 38 1.442 4.371 -0.821
321 HG23 THR 38 3HG2 THR 38 -0.009 3.347 -0.819
322 H ASN 39 H ASN 39 4.686 1.075 1.701
323 HA ASN 39 HA ASN 39 5.385 0.172 3.639
324 HB2 ASN 39 2HB ASN 39 6.099 2.676 3.806
325 HB3 ASN 39 3HB ASN 39 4.876 2.778 5.066
326 HD21 ASN 39 1HD2 ASN 39 5.119 0.969 6.816
327 HD22 ASN 39 2HD2 ASN 39 6.783 0.654 7.326
328 H LEU 40 H LEU 40 2.845 -0.481 3.037
329 HA LEU 40 HA LEU 40 1.540 -0.935 5.703
330 HB2 LEU 40 2HB LEU 40 0.318 -0.731 2.925
331 HB3 LEU 40 3HB LEU 40 -0.573 -1.229 4.346
332 HG LEU 40 HG LEU 40 0.686 1.515 3.934
333 HD11 LEU 40 1HD1 LEU 40 -1.253 1.082 2.478
334 HD12 LEU 40 2HD1 LEU 40 -2.220 0.597 3.891
335 HD13 LEU 40 3HD1 LEU 40 -1.636 2.272 3.729
336 HD21 LEU 40 3HD2 LEU 40 0.600 0.968 6.318
337 HD22 LEU 40 1HD2 LEU 40 -0.680 2.124 5.937
338 HD23 LEU 40 2HD2 LEU 40 -1.082 0.413 6.160
339 H THR 41 H THR 41 -0.015 -2.987 5.334
340 HA THR 41 HA THR 41 1.311 -5.151 3.799
341 HB THR 41 HB THR 41 2.132 -5.397 6.106
342 HG1 THR 41 1HG THR 41 1.581 -7.535 6.276
343 HG21 THR 41 1HG2 THR 41 0.592 -6.125 7.900
344 HG22 THR 41 2HG2 THR 41 -0.802 -5.776 6.856
345 HG23 THR 41 3HG2 THR 41 0.269 -4.461 7.400
346 H GLU 42 H GLU 42 -0.248 -7.038 3.524
347 HA GLU 42 HA GLU 42 -2.500 -6.095 2.232
348 HB2 GLU 42 2HB GLU 42 -2.898 -8.192 1.562
349 HB3 GLU 42 3HB GLU 42 -1.270 -8.401 2.165
350 HG2 GLU 42 2HG GLU 42 -2.348 -10.280 2.905
351 HG3 GLU 42 3HG GLU 42 -2.307 -9.273 4.341
352 H ALA 43 H ALA 43 -2.310 -7.190 5.554
353 HA ALA 43 HA ALA 43 -5.102 -7.287 6.143
354 HB1 ALA 43 1HB ALA 43 -4.337 -7.375 8.481
355 HB2 ALA 43 2HB ALA 43 -3.366 -8.445 7.453
356 HB3 ALA 43 3HB ALA 43 -2.704 -6.882 7.987
357 H ARG 44 H ARG 44 -2.754 -4.590 6.301
358 HA ARG 44 HA ARG 44 -4.554 -2.686 7.589
359 HB2 ARG 44 2HB ARG 44 -2.139 -2.285 5.752
360 HB3 ARG 44 3HB ARG 44 -3.010 -0.976 6.515
361 HG2 ARG 44 2HG ARG 44 -1.591 -3.171 8.081
362 HG3 ARG 44 3HG ARG 44 -0.923 -1.566 7.723
363 HD2 ARG 44 2HD ARG 44 -2.931 -0.544 8.844
364 HD3 ARG 44 3HD ARG 44 -3.432 -2.186 9.312
365 HE ARG 44 HE ARG 44 -0.768 -1.770 10.221
366 HH11 ARG 44 2HH1 ARG 44 -4.010 -0.642 10.968
367 HH12 ARG 44 1HH1 ARG 44 -3.560 -0.192 12.600
368 HH21 ARG 44 2HH2 ARG 44 -0.322 -1.219 12.370
369 HH22 ARG 44 1HH2 ARG 44 -1.599 -0.543 13.352
370 H VAL 45 H VAL 45 -3.838 -3.465 4.183
371 HA VAL 45 HA VAL 45 -5.696 -1.515 3.147
372 HB VAL 45 HB VAL 45 -4.818 -4.057 1.754
373 HG11 VAL 45 1HG1 VAL 45 -5.671 -1.313 0.729
374 HG12 VAL 45 2HG1 VAL 45 -5.112 -2.653 -0.284
375 HG13 VAL 45 3HG1 VAL 45 -6.626 -2.807 0.612
376 HG21 VAL 45 3HG2 VAL 45 -2.775 -2.993 2.472
377 HG22 VAL 45 1HG2 VAL 45 -3.003 -2.599 0.776
378 HG23 VAL 45 2HG2 VAL 45 -3.382 -1.388 2.022
379 H ARG 46 H ARG 46 -6.075 -5.030 3.845
380 HA ARG 46 HA ARG 46 -8.805 -5.342 3.146
381 HB2 ARG 46 2HB ARG 46 -7.161 -7.145 3.829
382 HB3 ARG 46 3HB ARG 46 -7.310 -6.589 5.495
383 HG2 ARG 46 2HG ARG 46 -9.863 -7.027 5.204
384 HG3 ARG 46 3HG ARG 46 -9.407 -7.923 3.752
385 HD2 ARG 46 2HD ARG 46 -8.392 -8.431 6.590
386 HD3 ARG 46 3HD ARG 46 -9.671 -9.338 5.799
387 HE ARG 46 HE ARG 46 -6.770 -9.323 4.944
388 HH11 ARG 46 2HH2 ARG 46 -9.779 -11.156 5.143
389 HH12 ARG 46 1HH2 ARG 46 -8.985 -12.605 4.592
390 HH21 ARG 46 2HH1 ARG 46 -5.909 -11.063 4.295
391 HH22 ARG 46 1HH1 ARG 46 -6.798 -12.580 4.112
392 H VAL 47 H VAL 47 -7.448 -4.351 6.308
393 HA VAL 47 HA VAL 47 -9.937 -3.883 7.632
394 HB VAL 47 HB VAL 47 -7.107 -2.897 8.110
395 HG11 VAL 47 1HG1 VAL 47 -8.521 -1.183 9.132
396 HG12 VAL 47 2HG1 VAL 47 -9.518 -2.438 9.912
397 HG13 VAL 47 3HG1 VAL 47 -7.819 -2.210 10.378
398 HG21 VAL 47 3HG2 VAL 47 -8.876 -4.824 9.686
399 HG22 VAL 47 1HG2 VAL 47 -7.702 -5.343 8.469
400 HG23 VAL 47 2HG2 VAL 47 -7.136 -4.508 9.919
401 H TRP 48 H TRP 48 -7.826 -1.567 5.822
402 HA TRP 48 HA TRP 48 -9.477 0.702 6.349
403 HB2 TRP 48 2HB TRP 48 -7.113 0.715 5.491
404 HB3 TRP 48 3HB TRP 48 -7.731 0.232 3.913
405 HD1 TRP 48 1HD TRP 48 -7.379 3.168 6.251
406 HE1 TRP 48 1HE TRP 48 -8.112 5.342 5.105
407 HE3 TRP 48 3HE TRP 48 -9.513 1.201 2.021
408 HZ2 TRP 48 2HZ TRP 48 -9.357 6.138 2.627
409 HZ3 TRP 48 3HZ TRP 48 -10.514 2.688 0.316
410 HH2 TRP 48 2HH TRP 48 -10.470 5.152 0.619
411 H PHE 49 H PHE 49 -9.472 -1.535 3.507
412 HA PHE 49 HA PHE 49 -11.652 -0.195 2.184
413 HB2 PHE 49 2HB PHE 49 -10.258 -2.852 1.875
414 HB3 PHE 49 3HB PHE 49 -11.784 -2.575 1.064
415 HD1 PHE 49 1HD PHE 49 -8.333 -1.030 1.383
416 HD2 PHE 49 2HD PHE 49 -11.931 -1.413 -0.960
417 HE1 PHE 49 1HE PHE 49 -7.245 0.164 -0.492
418 HE2 PHE 49 2HE PHE 49 -10.855 -0.216 -2.796
419 HZ PHE 49 HZ PHE 49 -8.504 0.585 -2.592
420 H LYS 50 H LYS 50 -11.636 -2.631 4.735
421 HA LYS 50 HA LYS 50 -14.515 -3.140 4.602
422 HB2 LYS 50 2HB LYS 50 -12.874 -4.730 5.575
423 HB3 LYS 50 3HB LYS 50 -12.547 -3.584 6.885
424 HG2 LYS 50 2HG LYS 50 -14.908 -3.751 7.630
425 HG3 LYS 50 3HG LYS 50 -15.282 -4.781 6.244
426 HD2 LYS 50 2HD LYS 50 -15.079 -6.160 8.197
427 HD3 LYS 50 3HD LYS 50 -13.722 -6.515 7.120
428 HE2 LYS 50 2HE LYS 50 -12.233 -5.101 8.506
429 HE3 LYS 50 3HE LYS 50 -13.598 -4.648 9.536
430 HZ1 LYS 50 3HZ LYS 50 -12.303 -6.448 10.530
431 HZ2 LYS 50 1HZ LYS 50 -12.547 -7.414 9.236
432 HZ3 LYS 50 2HZ LYS 50 -13.803 -6.986 10.188
433 H ASN 51 H ASN 51 -12.464 -0.963 6.591
434 HA ASN 51 HA ASN 51 -14.708 0.252 7.974
435 HB2 ASN 51 2HB ASN 51 -11.775 0.958 7.622
436 HB3 ASN 51 3HB ASN 51 -12.896 2.094 8.368
437 HD21 ASN 51 1HD2 ASN 51 -11.435 -1.115 8.731
438 HD22 ASN 51 2HD2 ASN 51 -11.817 -1.225 10.453
439 H ARG 52 H ARG 52 -13.242 0.922 4.819
440 HA ARG 52 HA ARG 52 -14.434 3.447 4.406
441 HB2 ARG 52 2HB ARG 52 -12.630 2.318 3.020
442 HB3 ARG 52 3HB ARG 52 -13.892 1.325 2.288
443 HG2 ARG 52 2HG ARG 52 -13.241 3.202 0.852
444 HG3 ARG 52 3HG ARG 52 -14.942 3.306 1.306
445 HD2 ARG 52 2HD ARG 52 -14.331 5.021 3.046
446 HD3 ARG 52 3HD ARG 52 -12.641 4.868 2.566
447 HE ARG 52 HE ARG 52 -13.060 6.162 0.688
448 HH11 ARG 52 2HH2 ARG 52 -16.224 5.240 1.960
449 HH12 ARG 52 1HH2 ARG 52 -17.015 6.496 1.003
450 HH21 ARG 52 2HH1 ARG 52 -14.206 7.649 -0.505
451 HH22 ARG 52 1HH1 ARG 52 -15.945 7.734 -0.359
452 H ARG 53 H ARG 53 -15.916 0.258 4.105
453 HA ARG 53 HA ARG 53 -18.413 1.113 2.926
454 HB2 ARG 53 2HB ARG 53 -17.647 -1.265 4.656
455 HB3 ARG 53 3HB ARG 53 -19.330 -0.905 4.320
456 HG2 ARG 53 2HG ARG 53 -18.680 -2.500 2.729
457 HG3 ARG 53 3HG ARG 53 -18.882 -0.963 1.882
458 HD2 ARG 53 2HD ARG 53 -16.398 -0.667 1.913
459 HD3 ARG 53 3HD ARG 53 -16.247 -2.259 2.695
460 HE ARG 53 HE ARG 53 -17.791 -2.704 0.420
461 HH11 ARG 53 2HH2 ARG 53 -14.500 -1.596 0.963
462 HH12 ARG 53 1HH2 ARG 53 -14.085 -1.881 -0.736
463 HH21 ARG 53 2HH1 ARG 53 -17.092 -3.114 -1.665
464 HH22 ARG 53 1HH1 ARG 53 -15.435 -2.717 -2.089
465 H ALA 54 H ALA 54 -17.372 0.970 6.343
466 HA ALA 54 HA ALA 54 -19.850 1.837 7.461
467 HB1 ALA 54 1HB ALA 54 -18.548 2.293 9.465
468 HB2 ALA 54 2HB ALA 54 -17.972 0.779 8.734
469 HB3 ALA 54 3HB ALA 54 -17.038 2.289 8.546
470 H LYS 55 H LYS 55 -17.194 3.688 6.020
471 HA LYS 55 HA LYS 55 -18.355 6.284 6.735
472 HB2 LYS 55 2HB LYS 55 -16.060 5.493 4.886
473 HB3 LYS 55 3HB LYS 55 -16.546 7.162 5.210
474 HG2 LYS 55 2HG LYS 55 -16.116 6.850 7.620
475 HG3 LYS 55 3HG LYS 55 -15.608 5.176 7.324
476 HD2 LYS 55 2HD LYS 55 -13.731 5.948 5.929
477 HD3 LYS 55 3HD LYS 55 -14.301 7.618 6.050
478 HE2 LYS 55 2HE LYS 55 -12.478 7.402 7.567
479 HE3 LYS 55 3HE LYS 55 -13.960 7.564 8.513
480 HZ1 LYS 55 3HZ LYS 55 -13.916 5.145 8.861
481 HZ2 LYS 55 1HZ LYS 55 -12.524 5.812 9.386
482 HZ3 LYS 55 2HZ LYS 55 -12.546 5.004 7.969
483 H TRP 56 H TRP 56 -18.363 4.204 3.863
484 HA TRP 56 HA TRP 56 -19.523 5.988 1.975
485 HB2 TRP 56 2HB TRP 56 -18.661 4.067 1.030
486 HB3 TRP 56 3HB TRP 56 -19.257 3.031 2.307
487 HD1 TRP 56 1HD TRP 56 -20.951 5.109 -0.461
488 HE1 TRP 56 1HE TRP 56 -22.880 3.693 -1.498
489 HE3 TRP 56 3HE TRP 56 -20.582 0.932 2.451
490 HZ2 TRP 56 2HZ TRP 56 -24.068 1.148 -1.094
491 HZ3 TRP 56 3HZ TRP 56 -22.100 -1.002 2.085
492 HH2 TRP 56 2HH TRP 56 -23.855 -0.904 0.328
493 H ARG 57 H ARG 57 -21.147 3.712 4.184
494 HA ARG 57 HA ARG 57 -23.751 4.051 3.223
495 HB2 ARG 57 2HB ARG 57 -22.598 3.273 5.925
496 HB3 ARG 57 3HB ARG 57 -24.355 3.246 5.644
497 HG2 ARG 57 2HG ARG 57 -24.062 1.671 3.773
498 HG3 ARG 57 3HG ARG 57 -22.308 1.715 3.993
499 HD2 ARG 57 2HD ARG 57 -22.516 0.819 6.262
500 HD3 ARG 57 3HD ARG 57 -24.275 0.779 6.124
501 HE ARG 57 HE ARG 57 -22.346 -1.115 5.019
502 HH11 ARG 57 2HH2 ARG 57 -25.642 0.015 4.607
503 HH12 ARG 57 1HH2 ARG 57 -26.139 -1.457 3.822
504 HH21 ARG 57 2HH1 ARG 57 -23.062 -2.970 4.032
505 HH22 ARG 57 1HH1 ARG 57 -24.714 -3.090 3.504
506 H LYS 58 H LYS 58 -22.120 6.319 5.298
507 HA LYS 58 HA LYS 58 -24.575 7.805 6.046
508 HB2 LYS 58 2HB LYS 58 -21.597 8.391 6.366
509 HB3 LYS 58 3HB LYS 58 -22.849 9.550 6.774
510 HG2 LYS 58 2HG LYS 58 -22.172 8.512 8.776
511 HG3 LYS 58 3HG LYS 58 -23.823 7.987 8.431
512 HD2 LYS 58 2HD LYS 58 -23.073 5.790 7.770
513 HD3 LYS 58 3HD LYS 58 -21.379 6.336 7.704
514 HE2 LYS 58 2HE LYS 58 -21.404 6.724 10.143
515 HE3 LYS 58 3HE LYS 58 -23.086 6.175 10.228
516 HZ1 LYS 58 3HZ LYS 58 -21.415 4.419 10.760
517 HZ2 LYS 58 1HZ LYS 58 -20.852 4.500 9.215
518 HZ3 LYS 58 2HZ LYS 58 -22.381 3.994 9.512
519 H ARG 59 H ARG 59 -22.429 7.733 3.370
520 HA ARG 59 HA ARG 59 -23.123 10.483 2.411
521 HB2 ARG 59 2HB ARG 59 -20.822 8.583 1.793
522 HB3 ARG 59 3HB ARG 59 -21.042 10.180 1.057
523 HG2 ARG 59 2HG ARG 59 -20.724 11.300 3.160
524 HG3 ARG 59 3HG ARG 59 -20.746 9.776 4.062
525 HD2 ARG 59 2HD ARG 59 -18.675 9.035 2.977
526 HD3 ARG 59 3HD ARG 59 -18.674 10.470 1.951
527 HE ARG 59 HE ARG 59 -17.791 11.723 3.662
528 HH11 ARG 59 2HH1 ARG 59 -18.961 8.763 5.183
529 HH12 ARG 59 1HH1 ARG 59 -18.352 9.259 6.744
530 HH21 ARG 59 2HH2 ARG 59 -17.007 12.218 5.659
531 HH22 ARG 59 1HH2 ARG 59 -17.242 11.126 6.990
532 H GLU 60 H GLU 60 -23.387 7.117 1.576
533 HA GLU 60 HA GLU 60 -24.286 5.957 -0.130
534 HB2 GLU 60 2HB GLU 60 -26.127 8.357 -0.368
535 HB3 GLU 60 3HB GLU 60 -26.396 6.768 -1.100
536 HG2 GLU 60 2HG GLU 60 -26.351 5.710 1.144
537 HG3 GLU 60 3HG GLU 60 -26.136 7.291 1.896
538 H GLU 61 H GLU 61 -21.953 7.107 -0.739
539 HA GLU 61 HA GLU 61 -21.719 8.618 -3.116
540 HB2 GLU 61 2HB GLU 61 -19.867 6.506 -1.935
541 HB3 GLU 61 3HB GLU 61 -19.399 7.630 -3.205
542 HG2 GLU 61 2HG GLU 61 -19.643 9.538 -1.753
543 HG3 GLU 61 3HG GLU 61 -20.431 8.566 -0.509
544 H PHE 62 H PHE 62 -22.194 5.165 -2.765
545 HA PHE 62 HA PHE 62 -22.599 4.811 -5.676
546 HB2 PHE 62 2HB PHE 62 -20.317 4.046 -5.087
547 HB3 PHE 62 3HB PHE 62 -20.976 3.007 -3.832
548 HD1 PHE 62 2HD PHE 62 -21.024 3.616 -7.532
549 HD2 PHE 62 1HD PHE 62 -21.709 0.801 -4.341
550 HE1 PHE 62 2HE PHE 62 -21.325 1.795 -9.204
551 HE2 PHE 62 1HE PHE 62 -21.994 -1.023 -6.014
552 HZ PHE 62 HZ PHE 62 -21.811 -0.524 -8.443
553 H ILE 63 H ILE 63 -24.042 3.081 -6.176
554 HA ILE 63 HA ILE 63 -25.613 1.835 -3.992
555 HB ILE 63 HB ILE 63 -26.793 3.346 -6.352
556 HG12 ILE 63 2HG1 ILE 63 -26.210 4.849 -4.483
557 HG13 ILE 63 3HG1 ILE 63 -27.929 4.764 -4.788
558 HG21 ILE 63 1HG2 ILE 63 -29.022 2.671 -5.406
559 HG22 ILE 63 2HG2 ILE 63 -28.098 1.339 -6.097
560 HG23 ILE 63 3HG2 ILE 63 -28.177 1.533 -4.334
561 HD11 ILE 63 3HD1 ILE 63 -28.282 3.356 -2.811
562 HD12 ILE 63 1HD1 ILE 63 -27.401 4.827 -2.377
563 HD13 ILE 63 2HD1 ILE 63 -26.532 3.291 -2.508
564 H VAL 64 H VAL 64 -25.983 -0.271 -4.389
565 HA VAL 64 HA VAL 64 -24.696 -1.521 -6.684
566 HB VAL 64 HB VAL 64 -26.364 -2.790 -4.482
567 HG11 VAL 64 1HG1 VAL 64 -24.372 -3.992 -6.461
568 HG12 VAL 64 2HG1 VAL 64 -25.083 -4.848 -5.077
569 HG13 VAL 64 3HG1 VAL 64 -26.124 -4.308 -6.389
570 HG21 VAL 64 3HG2 VAL 64 -23.337 -2.442 -4.700
571 HG22 VAL 64 1HG2 VAL 64 -24.389 -1.611 -3.535
572 HG23 VAL 64 2HG2 VAL 64 -24.190 -3.362 -3.443
573 H THR 65 H THR 65 -25.584 -2.094 -8.564
574 HA THR 65 HA THR 65 -28.532 -1.919 -8.936
575 HB THR 65 HB THR 65 -27.957 -1.667 -11.342
576 HG1 THR 65 1HG THR 65 -25.793 -1.323 -11.867
577 HG21 THR 65 1HG2 THR 65 -27.078 0.598 -11.192
578 HG22 THR 65 2HG2 THR 65 -26.465 0.297 -9.551
579 HG23 THR 65 3HG2 THR 65 -28.214 0.323 -9.859
580 H ASP 66 H ASP 66 -26.189 -4.304 -8.648
581 HA ASP 66 HA ASP 66 -27.131 -6.271 -10.544
582 HB2 ASP 66 2HB ASP 66 -24.842 -6.232 -9.659
583 HB3 ASP 66 3HB ASP 66 -25.441 -6.557 -8.036
Start of MODEL 17
1 H1 GLY -1 1H GLY -1 -6.920 -0.517 34.353
2 H2 GLY -1 2H GLY -1 -8.392 -0.032 34.880
3 H3 GLY -1 3H GLY -1 -7.091 0.083 35.869
4 HA2 GLY -1 2HA GLY -1 -7.670 2.257 35.013
5 HA3 GLY -1 3HA GLY -1 -6.066 1.735 34.466
6 H SER 0 H SER 0 -8.166 3.583 33.279
7 HA SER 0 HA SER 0 -9.291 2.396 30.943
8 HB2 SER 0 2HB SER 0 -8.598 5.310 31.463
9 HB3 SER 0 3HB SER 0 -9.715 4.696 30.229
10 HG SER 0 HG SER 0 -10.811 5.377 32.137
11 H GLN 1 H GLN 1 -8.774 2.610 28.752
12 HA GLN 1 HA GLN 1 -5.987 3.346 27.990
13 HB2 GLN 1 2HB GLN 1 -7.414 0.746 27.287
14 HB3 GLN 1 3HB GLN 1 -5.906 1.312 26.554
15 HG2 GLN 1 2HG GLN 1 -4.816 1.290 28.800
16 HG3 GLN 1 3HG GLN 1 -6.298 0.634 29.501
17 HE21 GLN 1 2HE2 GLN 1 -4.236 -0.910 30.035
18 HE22 GLN 1 1HE2 GLN 1 -4.170 -2.306 28.966
19 H ARG 2 H ARG 2 -5.697 3.692 25.712
20 HA ARG 2 HA ARG 2 -8.082 4.173 24.027
21 HB2 ARG 2 2HB ARG 2 -7.467 6.472 23.511
22 HB3 ARG 2 3HB ARG 2 -7.794 6.286 25.229
23 HG2 ARG 2 2HG ARG 2 -5.338 6.259 25.699
24 HG3 ARG 2 3HG ARG 2 -5.011 6.392 23.966
25 HD2 ARG 2 2HD ARG 2 -4.761 8.564 24.943
26 HD3 ARG 2 3HD ARG 2 -6.205 8.571 23.914
27 HE ARG 2 HE ARG 2 -6.903 7.946 26.645
28 HH11 ARG 2 2HH2 ARG 2 -5.973 10.720 24.717
29 HH12 ARG 2 1HH2 ARG 2 -6.798 11.840 25.766
30 HH21 ARG 2 2HH1 ARG 2 -7.943 9.428 27.935
31 HH22 ARG 2 1HH1 ARG 2 -7.879 11.120 27.540
32 H ARG 3 H ARG 3 -7.528 4.731 21.802
33 HA ARG 3 HA ARG 3 -5.435 3.010 20.704
34 HB2 ARG 3 2HB ARG 3 -7.290 5.028 19.362
35 HB3 ARG 3 3HB ARG 3 -6.220 3.911 18.510
36 HG2 ARG 3 2HG ARG 3 -7.395 1.980 19.572
37 HG3 ARG 3 3HG ARG 3 -8.542 3.096 20.322
38 HD2 ARG 3 2HD ARG 3 -8.083 2.789 17.325
39 HD3 ARG 3 3HD ARG 3 -9.399 2.039 18.242
40 HE ARG 3 HE ARG 3 -9.542 4.802 18.771
41 HH11 ARG 3 2HH1 ARG 3 -9.990 2.738 15.976
42 HH12 ARG 3 1HH1 ARG 3 -11.089 3.855 15.212
43 HH21 ARG 3 2HH2 ARG 3 -10.940 6.187 17.737
44 HH22 ARG 3 1HH2 ARG 3 -11.611 5.752 16.193
45 H GLN 4 H GLN 4 -3.732 3.662 19.312
46 HA GLN 4 HA GLN 4 -2.248 5.965 20.311
47 HB2 GLN 4 2HB GLN 4 -1.268 3.695 19.945
48 HB3 GLN 4 3HB GLN 4 -1.474 3.905 18.209
49 HG2 GLN 4 2HG GLN 4 0.832 4.368 18.888
50 HG3 GLN 4 3HG GLN 4 0.100 5.832 18.252
51 HE21 GLN 4 2HE2 GLN 4 1.031 4.173 21.317
52 HE22 GLN 4 1HE2 GLN 4 1.131 5.665 22.241
53 H ARG 5 H ARG 5 -4.018 7.372 19.515
54 HA ARG 5 HA ARG 5 -4.970 8.925 18.191
55 HB2 ARG 5 2HB ARG 5 -2.712 9.855 18.507
56 HB3 ARG 5 3HB ARG 5 -2.209 9.181 16.956
57 HG2 ARG 5 2HG ARG 5 -3.939 10.568 15.806
58 HG3 ARG 5 3HG ARG 5 -4.461 11.207 17.378
59 HD2 ARG 5 2HD ARG 5 -2.208 12.161 17.739
60 HD3 ARG 5 3HD ARG 5 -1.675 11.503 16.178
61 HE ARG 5 HE ARG 5 -3.988 13.099 15.729
62 HH11 ARG 5 2HH1 ARG 5 -0.643 13.606 16.642
63 HH12 ARG 5 1HH1 ARG 5 -0.607 15.214 15.969
64 HH21 ARG 5 2HH2 ARG 5 -3.874 15.157 14.893
65 HH22 ARG 5 1HH2 ARG 5 -2.394 16.063 15.007
66 H THR 6 H THR 6 -2.948 7.960 15.467
67 HA THR 6 HA THR 6 -5.268 6.749 14.062
68 HB THR 6 HB THR 6 -3.606 8.960 12.792
69 HG1 THR 6 1HG THR 6 -5.472 10.205 12.987
70 HG21 THR 6 1HG2 THR 6 -5.406 8.925 11.077
71 HG22 THR 6 2HG2 THR 6 -6.180 7.560 11.913
72 HG23 THR 6 3HG2 THR 6 -4.579 7.371 11.162
73 H HIS 7 H HIS 7 -4.655 4.981 12.930
74 HA HIS 7 HA HIS 7 -1.876 4.126 13.091
75 HB2 HIS 7 2HB HIS 7 -4.374 2.780 12.011
76 HB3 HIS 7 3HB HIS 7 -2.797 2.006 12.140
77 HD2 HIS 7 2HD HIS 7 -5.871 2.635 14.154
78 HE1 HIS 7 1HE HIS 7 -2.934 1.406 16.997
79 HE2 HIS 7 2HE HIS 7 -5.420 1.826 16.625
80 H PHE 8 H PHE 8 -3.551 5.784 10.644
81 HA PHE 8 HA PHE 8 -1.556 5.008 8.549
82 HB2 PHE 8 2HB PHE 8 -4.403 5.981 8.206
83 HB3 PHE 8 3HB PHE 8 -3.242 5.721 6.910
84 HD1 PHE 8 2HD PHE 8 -5.300 4.000 9.505
85 HD2 PHE 8 1HD PHE 8 -2.821 3.532 6.008
86 HE1 PHE 8 2HE PHE 8 -6.049 1.643 9.289
87 HE2 PHE 8 1HE PHE 8 -3.611 1.192 5.767
88 HZ PHE 8 HZ PHE 8 -5.217 0.238 7.416
89 H THR 9 H THR 9 -0.905 6.711 7.098
90 HA THR 9 HA THR 9 -0.656 9.337 8.487
91 HB THR 9 HB THR 9 1.187 9.856 7.198
92 HG1 THR 9 1HG THR 9 1.817 8.626 5.396
93 HG21 THR 9 1HG2 THR 9 2.769 8.042 7.427
94 HG22 THR 9 2HG2 THR 9 1.462 6.844 7.511
95 HG23 THR 9 3HG2 THR 9 1.674 8.022 8.824
96 H SER 10 H SER 10 -0.971 11.330 7.353
97 HA SER 10 HA SER 10 -3.273 11.509 5.735
98 HB2 SER 10 2HB SER 10 -1.060 13.560 5.844
99 HB3 SER 10 3HB SER 10 -2.794 13.803 5.516
100 HG SER 10 HG SER 10 -2.234 14.348 7.683
101 H GLN 11 H GLN 11 -0.233 10.395 4.684
102 HA GLN 11 HA GLN 11 -0.758 11.125 1.845
103 HB2 GLN 11 2HB GLN 11 1.494 11.558 2.825
104 HB3 GLN 11 3HB GLN 11 1.689 9.816 3.082
105 HG2 GLN 11 2HG GLN 11 1.459 9.435 0.635
106 HG3 GLN 11 3HG GLN 11 1.189 11.162 0.387
107 HE21 GLN 11 2HE2 GLN 11 3.131 10.352 -1.157
108 HE22 GLN 11 1HE2 GLN 11 4.718 10.689 -0.479
109 H GLN 12 H GLN 12 -0.348 8.244 4.001
110 HA GLN 12 HA GLN 12 -0.620 6.220 1.997
111 HB2 GLN 12 2HB GLN 12 -1.400 6.276 4.938
112 HB3 GLN 12 3HB GLN 12 -1.459 4.820 3.928
113 HG2 GLN 12 2HG GLN 12 0.901 4.893 3.502
114 HG3 GLN 12 3HG GLN 12 1.088 6.406 4.381
115 HE21 GLN 12 2HE2 GLN 12 2.248 3.680 4.848
116 HE22 GLN 12 1HE2 GLN 12 1.855 3.311 6.523
117 H LEU 13 H LEU 13 -3.043 7.845 4.018
118 HA LEU 13 HA LEU 13 -5.411 6.577 3.191
119 HB2 LEU 13 2HB LEU 13 -4.858 9.476 3.944
120 HB3 LEU 13 3HB LEU 13 -6.467 8.766 3.862
121 HG LEU 13 HG LEU 13 -4.282 7.659 5.693
122 HD11 LEU 13 1HD1 LEU 13 -5.271 8.896 7.515
123 HD12 LEU 13 2HD1 LEU 13 -4.727 10.013 6.261
124 HD13 LEU 13 3HD1 LEU 13 -6.463 9.644 6.413
125 HD21 LEU 13 3HD2 LEU 13 -6.220 6.739 6.932
126 HD22 LEU 13 1HD2 LEU 13 -7.276 7.277 5.605
127 HD23 LEU 13 2HD2 LEU 13 -5.980 6.067 5.317
128 H GLN 14 H GLN 14 -3.555 9.014 1.427
129 HA GLN 14 HA GLN 14 -5.677 9.690 -0.455
130 HB2 GLN 14 2HB GLN 14 -2.694 10.027 -0.913
131 HB3 GLN 14 3HB GLN 14 -4.014 10.894 -1.684
132 HG2 GLN 14 2HG GLN 14 -3.084 11.095 1.187
133 HG3 GLN 14 3HG GLN 14 -2.884 12.316 -0.057
134 HE21 GLN 14 2HE2 GLN 14 -4.198 12.447 2.605
135 HE22 GLN 14 1HE2 GLN 14 -5.840 13.027 2.277
136 H GLU 15 H GLU 15 -2.895 7.435 -0.482
137 HA GLU 15 HA GLU 15 -3.356 6.531 -3.209
138 HB2 GLU 15 2HB GLU 15 -1.840 5.103 -1.002
139 HB3 GLU 15 3HB GLU 15 -1.687 4.855 -2.738
140 HG2 GLU 15 2HG GLU 15 -0.804 7.257 -1.102
141 HG3 GLU 15 3HG GLU 15 0.216 6.113 -1.949
142 H LEU 16 H LEU 16 -4.415 5.441 -0.026
143 HA LEU 16 HA LEU 16 -5.743 3.037 -0.870
144 HB2 LEU 16 2HB LEU 16 -6.026 4.921 1.496
145 HB3 LEU 16 3HB LEU 16 -7.005 3.473 1.329
146 HG LEU 16 HG LEU 16 -3.984 3.252 1.177
147 HD11 LEU 16 1HD1 LEU 16 -4.464 4.466 3.244
148 HD12 LEU 16 2HD1 LEU 16 -5.658 3.238 3.703
149 HD13 LEU 16 3HD1 LEU 16 -3.941 2.808 3.583
150 HD21 LEU 16 3HD2 LEU 16 -6.193 1.355 2.077
151 HD22 LEU 16 1HD2 LEU 16 -5.340 1.301 0.519
152 HD23 LEU 16 2HD2 LEU 16 -4.454 0.989 2.024
153 H GLU 17 H GLU 17 -7.128 6.364 -0.263
154 HA GLU 17 HA GLU 17 -9.633 5.480 -1.388
155 HB2 GLU 17 2HB GLU 17 -10.546 7.493 -0.951
156 HB3 GLU 17 3HB GLU 17 -9.359 7.261 0.335
157 HG2 GLU 17 2HG GLU 17 -7.851 8.875 -0.735
158 HG3 GLU 17 3HG GLU 17 -8.971 9.048 -2.091
159 H ALA 18 H ALA 18 -6.814 6.740 -2.981
160 HA ALA 18 HA ALA 18 -8.172 7.278 -5.501
161 HB1 ALA 18 1HB ALA 18 -6.031 8.334 -4.958
162 HB2 ALA 18 2HB ALA 18 -5.238 6.742 -4.877
163 HB3 ALA 18 3HB ALA 18 -5.885 7.341 -6.418
164 H THR 19 H THR 19 -6.250 4.425 -4.278
165 HA THR 19 HA THR 19 -6.753 2.939 -6.686
166 HB THR 19 HB THR 19 -4.866 2.584 -5.038
167 HG1 THR 19 1HG THR 19 -6.328 0.308 -5.874
168 HG21 THR 19 1HG2 THR 19 -6.548 2.115 -3.063
169 HG22 THR 19 2HG2 THR 19 -5.090 1.160 -3.209
170 HG23 THR 19 3HG2 THR 19 -6.640 0.487 -3.777
171 H PHE 20 H PHE 20 -8.624 3.318 -3.762
172 HA PHE 20 HA PHE 20 -10.552 1.267 -4.053
173 HB2 PHE 20 2HB PHE 20 -10.313 2.634 -2.071
174 HB3 PHE 20 3HB PHE 20 -10.654 4.096 -2.980
175 HD1 PHE 20 2HD PHE 20 -12.606 0.854 -2.947
176 HD2 PHE 20 1HD PHE 20 -12.469 5.020 -1.845
177 HE1 PHE 20 2HE PHE 20 -14.956 0.727 -2.177
178 HE2 PHE 20 1HE PHE 20 -14.825 4.890 -1.077
179 HZ PHE 20 HZ PHE 20 -16.073 2.744 -1.240
180 H GLN 21 H GLN 21 -10.107 4.195 -6.004
181 HA GLN 21 HA GLN 21 -12.785 4.106 -7.134
182 HB2 GLN 21 2HB GLN 21 -10.304 5.462 -8.239
183 HB3 GLN 21 3HB GLN 21 -11.977 5.792 -8.694
184 HG2 GLN 21 2HG GLN 21 -10.528 6.487 -6.138
185 HG3 GLN 21 3HG GLN 21 -11.289 7.577 -7.278
186 HE21 GLN 21 2HE2 GLN 21 -11.634 6.535 -4.235
187 HE22 GLN 21 1HE2 GLN 21 -13.400 6.504 -4.113
188 H ARG 22 H ARG 22 -9.616 2.811 -8.146
189 HA ARG 22 HA ARG 22 -10.749 1.729 -10.665
190 HB2 ARG 22 2HB ARG 22 -8.555 0.894 -11.163
191 HB3 ARG 22 3HB ARG 22 -8.452 2.597 -10.721
192 HG2 ARG 22 2HG ARG 22 -7.516 2.068 -8.566
193 HG3 ARG 22 3HG ARG 22 -7.860 0.342 -8.754
194 HD2 ARG 22 2HD ARG 22 -6.261 0.237 -10.647
195 HD3 ARG 22 3HD ARG 22 -5.827 1.932 -10.348
196 HE ARG 22 HE ARG 22 -5.380 1.031 -7.910
197 HH11 ARG 22 2HH1 ARG 22 -4.424 -0.863 -10.769
198 HH12 ARG 22 1HH1 ARG 22 -3.327 -1.797 -9.739
199 HH21 ARG 22 2HH2 ARG 22 -4.020 -0.246 -6.861
200 HH22 ARG 22 1HH2 ARG 22 -3.090 -1.468 -7.767
201 H ASN 23 H ASN 23 -10.102 0.594 -7.430
202 HA ASN 23 HA ASN 23 -11.161 -2.105 -8.144
203 HB2 ASN 23 2HB ASN 23 -8.623 -2.005 -8.089
204 HB3 ASN 23 3HB ASN 23 -8.720 -1.550 -6.390
205 HD21 ASN 23 1HD2 ASN 23 -7.357 -3.824 -7.165
206 HD22 ASN 23 2HD2 ASN 23 -8.257 -5.248 -6.669
207 H HIS 24 H HIS 24 -13.081 -2.072 -7.104
208 HA HIS 24 HA HIS 24 -13.394 -0.755 -4.485
209 HB2 HIS 24 2HB HIS 24 -15.310 -2.116 -6.404
210 HB3 HIS 24 3HB HIS 24 -15.794 -1.526 -4.822
211 HD2 HIS 24 2HD HIS 24 -13.845 0.181 -7.811
212 HE1 HIS 24 1HE HIS 24 -16.851 2.861 -6.441
213 HE2 HIS 24 2HE HIS 24 -14.971 2.518 -8.129
214 H TYR 25 H TYR 25 -12.322 -3.815 -5.376
215 HA TYR 25 HA TYR 25 -12.861 -4.983 -2.734
216 HB2 TYR 25 2HB TYR 25 -13.861 -7.062 -3.823
217 HB3 TYR 25 3HB TYR 25 -14.875 -5.661 -3.643
218 HD1 TYR 25 1HD TYR 25 -15.712 -4.384 -5.542
219 HD2 TYR 25 2HD TYR 25 -13.207 -7.849 -6.115
220 HE1 TYR 25 1HE TYR 25 -16.311 -4.422 -7.959
221 HE2 TYR 25 2HE TYR 25 -13.815 -7.891 -8.523
222 HH TYR 25 HH TYR 25 -15.011 -6.897 -10.206
223 HA PRO 26 HA PRO 26 -8.841 -6.031 -4.850
224 HB2 PRO 26 2HB PRO 26 -7.037 -5.154 -3.021
225 HB3 PRO 26 3HB PRO 26 -7.839 -4.068 -4.173
226 HG2 PRO 26 2HG PRO 26 -8.683 -4.639 -1.315
227 HG3 PRO 26 3HG PRO 26 -8.404 -3.039 -2.078
228 HD2 PRO 26 2HD PRO 26 -10.901 -4.095 -1.912
229 HD3 PRO 26 3HD PRO 26 -10.381 -3.224 -3.386
230 H ASP 27 H ASP 27 -7.251 -7.573 -4.350
231 HA ASP 27 HA ASP 27 -8.192 -9.697 -2.450
232 HB2 ASP 27 2HB ASP 27 -8.705 -9.997 -4.916
233 HB3 ASP 27 3HB ASP 27 -6.971 -10.054 -5.213
234 H MET 28 H MET 28 -6.246 -11.479 -2.363
235 HA MET 28 HA MET 28 -4.159 -10.359 -0.824
236 HB2 MET 28 2HB MET 28 -2.995 -12.472 -1.071
237 HB3 MET 28 3HB MET 28 -4.710 -12.745 -0.781
238 HG2 MET 28 2HG MET 28 -5.099 -13.310 -3.097
239 HG3 MET 28 3HG MET 28 -3.488 -12.805 -3.574
240 HE1 MET 28 3HE MET 28 -1.345 -13.970 -1.813
241 HE2 MET 28 1HE MET 28 -1.089 -15.526 -2.633
242 HE3 MET 28 2HE MET 28 -1.429 -14.061 -3.585
243 H SER 29 H SER 29 -4.256 -10.664 -4.334
244 HA SER 29 HA SER 29 -1.409 -10.067 -4.655
245 HB2 SER 29 2HB SER 29 -3.619 -10.186 -6.739
246 HB3 SER 29 3HB SER 29 -1.875 -10.107 -7.053
247 HG SER 29 HG SER 29 -2.661 -12.263 -7.130
248 H THR 30 H THR 30 -4.509 -8.293 -5.115
249 HA THR 30 HA THR 30 -3.137 -5.884 -6.044
250 HB THR 30 HB THR 30 -5.615 -4.981 -5.721
251 HG1 THR 30 1HG THR 30 -6.290 -7.524 -6.521
252 HG21 THR 30 1HG2 THR 30 -4.448 -5.108 -7.868
253 HG22 THR 30 2HG2 THR 30 -6.078 -5.777 -8.051
254 HG23 THR 30 3HG2 THR 30 -4.680 -6.868 -7.931
255 H ARG 31 H ARG 31 -4.659 -6.889 -2.963
256 HA ARG 31 HA ARG 31 -4.286 -4.401 -1.598
257 HB2 ARG 31 2HB ARG 31 -4.239 -7.308 -0.663
258 HB3 ARG 31 3HB ARG 31 -4.117 -5.940 0.458
259 HG2 ARG 31 2HG ARG 31 -6.284 -5.040 -0.451
260 HG3 ARG 31 3HG ARG 31 -6.471 -6.526 -1.384
261 HD2 ARG 31 2HD ARG 31 -6.195 -6.424 1.629
262 HD3 ARG 31 3HD ARG 31 -7.741 -6.438 0.777
263 HE ARG 31 HE ARG 31 -7.132 -8.632 -0.188
264 HH11 ARG 31 2HH1 ARG 31 -5.402 -7.785 2.795
265 HH12 ARG 31 1HH1 ARG 31 -4.865 -9.463 2.940
266 HH21 ARG 31 2HH2 ARG 31 -6.417 -10.743 0.311
267 HH22 ARG 31 1HH2 ARG 31 -5.309 -10.908 1.669
268 H GLU 32 H GLU 32 -2.003 -7.151 -2.009
269 HA GLU 32 HA GLU 32 0.171 -5.817 -0.656
270 HB2 GLU 32 2HB GLU 32 0.127 -8.021 -2.756
271 HB3 GLU 32 3HB GLU 32 1.621 -7.347 -2.096
272 HG2 GLU 32 2HG GLU 32 0.785 -7.876 0.216
273 HG3 GLU 32 3HG GLU 32 -0.544 -8.768 -0.517
274 H GLU 33 H GLU 33 -0.825 -5.833 -4.106
275 HA GLU 33 HA GLU 33 1.347 -4.418 -5.171
276 HB2 GLU 33 2HB GLU 33 -0.466 -5.428 -6.541
277 HB3 GLU 33 3HB GLU 33 -1.593 -4.199 -5.967
278 HG2 GLU 33 2HG GLU 33 -0.195 -2.432 -7.058
279 HG3 GLU 33 3HG GLU 33 0.827 -3.706 -7.720
280 H ILE 34 H ILE 34 -1.471 -2.964 -3.478
281 HA ILE 34 HA ILE 34 -0.348 -0.275 -3.915
282 HB ILE 34 HB ILE 34 -2.261 0.651 -3.163
283 HG12 ILE 34 2HG1 ILE 34 -4.062 -0.844 -1.891
284 HG13 ILE 34 3HG1 ILE 34 -2.637 -1.723 -1.353
285 HG21 ILE 34 1HG2 ILE 34 -4.059 -0.417 -4.293
286 HG22 ILE 34 2HG2 ILE 34 -2.595 -0.926 -5.149
287 HG23 ILE 34 3HG2 ILE 34 -3.417 -2.016 -4.000
288 HD11 ILE 34 3HD1 ILE 34 -1.743 0.438 -0.387
289 HD12 ILE 34 1HD1 ILE 34 -3.326 0.013 0.248
290 HD13 ILE 34 2HD1 ILE 34 -3.189 1.269 -0.997
291 H ALA 35 H ALA 35 -0.313 -2.678 -1.344
292 HA ALA 35 HA ALA 35 0.481 -0.904 0.776
293 HB1 ALA 35 1HB ALA 35 0.881 -3.026 1.979
294 HB2 ALA 35 2HB ALA 35 -0.681 -3.038 1.156
295 HB3 ALA 35 3HB ALA 35 0.699 -3.925 0.470
296 H VAL 36 H VAL 36 2.191 -2.681 -1.669
297 HA VAL 36 HA VAL 36 4.716 -3.044 -0.543
298 HB VAL 36 HB VAL 36 3.447 -3.054 -3.250
299 HG11 VAL 36 1HG1 VAL 36 5.483 -1.971 -3.947
300 HG12 VAL 36 2HG1 VAL 36 6.464 -3.195 -3.091
301 HG13 VAL 36 3HG1 VAL 36 5.436 -3.650 -4.475
302 HG21 VAL 36 3HG2 VAL 36 4.137 -5.344 -3.249
303 HG22 VAL 36 1HG2 VAL 36 5.289 -5.075 -1.914
304 HG23 VAL 36 2HG2 VAL 36 3.543 -4.996 -1.621
305 H TRP 37 H TRP 37 3.529 -0.114 -2.101
306 HA TRP 37 HA TRP 37 6.187 1.170 -1.639
307 HB2 TRP 37 2HB TRP 37 5.470 2.746 -3.469
308 HB3 TRP 37 3HB TRP 37 5.868 1.113 -3.945
309 HD1 TRP 37 1HD TRP 37 3.909 -0.511 -4.691
310 HE1 TRP 37 1HE TRP 37 1.536 -0.159 -5.465
311 HE3 TRP 37 3HE TRP 37 3.464 4.426 -3.496
312 HZ2 TRP 37 2HZ TRP 37 -0.345 2.079 -5.707
313 HZ3 TRP 37 3HZ TRP 37 1.370 5.671 -4.044
314 HH2 TRP 37 2HH TRP 37 -0.539 4.504 -5.123
315 H THR 38 H THR 38 3.405 0.941 -0.082
316 HA THR 38 HA THR 38 3.353 3.824 0.753
317 HB THR 38 HB THR 38 1.029 3.453 1.476
318 HG1 THR 38 1HG THR 38 0.843 1.198 -0.095
319 HG21 THR 38 1HG2 THR 38 1.572 2.757 -1.455
320 HG22 THR 38 2HG2 THR 38 1.476 4.386 -0.767
321 HG23 THR 38 3HG2 THR 38 0.032 3.351 -0.789
322 H ASN 39 H ASN 39 4.757 1.124 1.766
323 HA ASN 39 HA ASN 39 5.473 0.264 3.713
324 HB2 ASN 39 2HB ASN 39 6.100 2.797 3.876
325 HB3 ASN 39 3HB ASN 39 4.880 2.851 5.140
326 HD21 ASN 39 1HD2 ASN 39 5.187 1.022 6.868
327 HD22 ASN 39 2HD2 ASN 39 6.862 0.768 7.377
328 H LEU 40 H LEU 40 2.913 -0.404 3.068
329 HA LEU 40 HA LEU 40 1.615 -0.916 5.727
330 HB2 LEU 40 2HB LEU 40 0.389 -0.683 2.952
331 HB3 LEU 40 3HB LEU 40 -0.496 -1.206 4.370
332 HG LEU 40 HG LEU 40 0.730 1.556 3.985
333 HD11 LEU 40 1HD1 LEU 40 -2.160 0.590 3.937
334 HD12 LEU 40 2HD1 LEU 40 -1.608 2.278 3.802
335 HD13 LEU 40 3HD1 LEU 40 -1.207 1.118 2.530
336 HD21 LEU 40 3HD2 LEU 40 -0.626 2.132 5.996
337 HD22 LEU 40 1HD2 LEU 40 -1.030 0.418 6.199
338 HD23 LEU 40 2HD2 LEU 40 0.652 0.972 6.367
339 H THR 41 H THR 41 0.113 -2.958 5.387
340 HA THR 41 HA THR 41 1.420 -5.089 3.788
341 HB THR 41 HB THR 41 2.230 -5.398 6.084
342 HG1 THR 41 1HG THR 41 1.658 -7.540 6.179
343 HG21 THR 41 1HG2 THR 41 0.687 -6.167 7.855
344 HG22 THR 41 2HG2 THR 41 -0.707 -5.785 6.823
345 HG23 THR 41 3HG2 THR 41 0.367 -4.489 7.403
346 H GLU 42 H GLU 42 -0.152 -6.984 3.505
347 HA GLU 42 HA GLU 42 -2.418 -5.910 2.197
348 HB2 GLU 42 2HB GLU 42 -3.041 -8.162 1.690
349 HB3 GLU 42 3HB GLU 42 -1.306 -8.001 1.556
350 HG2 GLU 42 2HG GLU 42 -0.877 -9.306 3.478
351 HG3 GLU 42 3HG GLU 42 -2.500 -9.099 4.119
352 H ALA 43 H ALA 43 -2.190 -7.124 5.481
353 HA ALA 43 HA ALA 43 -5.006 -7.347 6.012
354 HB1 ALA 43 1HB ALA 43 -3.258 -8.478 7.338
355 HB2 ALA 43 2HB ALA 43 -2.653 -6.904 7.907
356 HB3 ALA 43 3HB ALA 43 -4.279 -7.451 8.362
357 H ARG 44 H ARG 44 -2.702 -4.625 6.374
358 HA ARG 44 HA ARG 44 -4.499 -2.735 7.628
359 HB2 ARG 44 2HB ARG 44 -2.136 -2.350 5.725
360 HB3 ARG 44 3HB ARG 44 -3.000 -1.022 6.450
361 HG2 ARG 44 2HG ARG 44 -1.491 -3.138 8.038
362 HG3 ARG 44 3HG ARG 44 -0.905 -1.520 7.623
363 HD2 ARG 44 2HD ARG 44 -3.263 -0.814 8.735
364 HD3 ARG 44 3HD ARG 44 -3.039 -2.352 9.561
365 HE ARG 44 HE ARG 44 -1.096 -1.491 10.651
366 HH11 ARG 44 2HH1 ARG 44 -2.535 1.017 8.605
367 HH12 ARG 44 1HH1 ARG 44 -1.612 2.259 9.419
368 HH21 ARG 44 2HH2 ARG 44 0.016 0.238 11.578
369 HH22 ARG 44 1HH2 ARG 44 -0.301 1.857 10.986
370 H VAL 45 H VAL 45 -3.820 -3.466 4.209
371 HA VAL 45 HA VAL 45 -5.628 -1.505 3.161
372 HB VAL 45 HB VAL 45 -4.836 -4.092 1.779
373 HG11 VAL 45 1HG1 VAL 45 -6.624 -2.801 0.640
374 HG12 VAL 45 2HG1 VAL 45 -5.626 -1.334 0.733
375 HG13 VAL 45 3HG1 VAL 45 -5.110 -2.704 -0.266
376 HG21 VAL 45 3HG2 VAL 45 -3.340 -1.452 2.027
377 HG22 VAL 45 1HG2 VAL 45 -2.766 -3.071 2.476
378 HG23 VAL 45 2HG2 VAL 45 -2.998 -2.674 0.782
379 H ARG 46 H ARG 46 -6.163 -5.014 3.856
380 HA ARG 46 HA ARG 46 -8.933 -5.018 3.084
381 HB2 ARG 46 2HB ARG 46 -7.658 -7.066 3.361
382 HB3 ARG 46 3HB ARG 46 -7.428 -6.763 5.084
383 HG2 ARG 46 2HG ARG 46 -9.718 -7.146 5.579
384 HG3 ARG 46 3HG ARG 46 -10.220 -7.000 3.889
385 HD2 ARG 46 2HD ARG 46 -8.349 -9.205 4.829
386 HD3 ARG 46 3HD ARG 46 -10.113 -9.357 4.921
387 HE ARG 46 HE ARG 46 -9.611 -8.567 2.296
388 HH11 ARG 46 2HH1 ARG 46 -8.759 -11.369 4.215
389 HH12 ARG 46 1HH1 ARG 46 -8.820 -12.440 2.844
390 HH21 ARG 46 2HH2 ARG 46 -9.761 -10.000 0.609
391 HH22 ARG 46 1HH2 ARG 46 -9.382 -11.676 0.859
392 H VAL 47 H VAL 47 -7.478 -4.362 6.290
393 HA VAL 47 HA VAL 47 -9.948 -3.870 7.670
394 HB VAL 47 HB VAL 47 -7.097 -2.935 8.154
395 HG11 VAL 47 1HG1 VAL 47 -8.503 -1.259 9.247
396 HG12 VAL 47 2HG1 VAL 47 -9.520 -2.535 9.960
397 HG13 VAL 47 3HG1 VAL 47 -7.824 -2.341 10.460
398 HG21 VAL 47 3HG2 VAL 47 -8.879 -4.940 9.609
399 HG22 VAL 47 1HG2 VAL 47 -7.640 -5.378 8.420
400 HG23 VAL 47 2HG2 VAL 47 -7.157 -4.604 9.933
401 H TRP 48 H TRP 48 -7.778 -1.582 5.918
402 HA TRP 48 HA TRP 48 -9.314 0.741 6.525
403 HB2 TRP 48 2HB TRP 48 -6.968 0.686 5.661
404 HB3 TRP 48 3HB TRP 48 -7.601 0.239 4.075
405 HD1 TRP 48 1HD TRP 48 -7.193 3.142 6.457
406 HE1 TRP 48 1HE TRP 48 -7.893 5.340 5.338
407 HE3 TRP 48 3HE TRP 48 -9.315 1.257 2.191
408 HZ2 TRP 48 2HZ TRP 48 -9.074 6.182 2.845
409 HZ3 TRP 48 3HZ TRP 48 -10.284 2.771 0.491
410 HH2 TRP 48 2HH TRP 48 -10.201 5.219 0.815
411 H PHE 49 H PHE 49 -9.417 -1.364 3.590
412 HA PHE 49 HA PHE 49 -11.565 0.013 2.305
413 HB2 PHE 49 2HB PHE 49 -10.314 -2.725 2.077
414 HB3 PHE 49 3HB PHE 49 -11.848 -2.430 1.296
415 HD1 PHE 49 2HD PHE 49 -8.393 -0.871 1.505
416 HD2 PHE 49 1HD PHE 49 -11.949 -1.535 -0.848
417 HE1 PHE 49 2HE PHE 49 -7.299 0.186 -0.447
418 HE2 PHE 49 1HE PHE 49 -10.840 -0.499 -2.777
419 HZ PHE 49 HZ PHE 49 -8.535 0.398 -2.587
420 H LYS 50 H LYS 50 -11.618 -2.516 4.791
421 HA LYS 50 HA LYS 50 -14.477 -3.034 4.709
422 HB2 LYS 50 2HB LYS 50 -12.723 -4.486 5.772
423 HB3 LYS 50 3HB LYS 50 -12.620 -3.308 7.095
424 HG2 LYS 50 2HG LYS 50 -15.172 -3.635 7.367
425 HG3 LYS 50 3HG LYS 50 -15.020 -4.985 6.237
426 HD2 LYS 50 2HD LYS 50 -13.690 -4.671 8.953
427 HD3 LYS 50 3HD LYS 50 -15.004 -5.781 8.527
428 HE2 LYS 50 2HE LYS 50 -13.452 -6.928 6.915
429 HE3 LYS 50 3HE LYS 50 -12.148 -5.859 7.455
430 HZ1 LYS 50 3HZ LYS 50 -12.419 -6.789 9.704
431 HZ2 LYS 50 1HZ LYS 50 -12.100 -7.988 8.642
432 HZ3 LYS 50 2HZ LYS 50 -13.617 -7.775 9.195
433 H ASN 51 H ASN 51 -12.492 -0.867 6.746
434 HA ASN 51 HA ASN 51 -14.740 0.412 8.048
435 HB2 ASN 51 2HB ASN 51 -11.813 1.155 7.657
436 HB3 ASN 51 3HB ASN 51 -12.953 2.269 8.407
437 HD21 ASN 51 1HD2 ASN 51 -11.357 -0.880 8.795
438 HD22 ASN 51 2HD2 ASN 51 -11.723 -0.980 10.517
439 H ARG 52 H ARG 52 -12.965 1.214 5.030
440 HA ARG 52 HA ARG 52 -14.377 3.638 4.612
441 HB2 ARG 52 2HB ARG 52 -12.168 2.879 3.530
442 HB3 ARG 52 3HB ARG 52 -13.126 1.900 2.439
443 HG2 ARG 52 2HG ARG 52 -12.534 4.061 1.390
444 HG3 ARG 52 3HG ARG 52 -14.271 3.844 1.510
445 HD2 ARG 52 2HD ARG 52 -14.383 5.357 3.439
446 HD3 ARG 52 3HD ARG 52 -12.628 5.512 3.459
447 HE ARG 52 HE ARG 52 -14.567 6.662 1.476
448 HH11 ARG 52 2HH1 ARG 52 -11.223 6.684 2.655
449 HH12 ARG 52 1HH1 ARG 52 -10.910 8.175 1.746
450 HH21 ARG 52 2HH2 ARG 52 -13.958 8.580 0.469
451 HH22 ARG 52 1HH2 ARG 52 -12.264 9.095 0.625
452 H ARG 53 H ARG 53 -15.157 0.363 3.452
453 HA ARG 53 HA ARG 53 -17.538 1.091 1.983
454 HB2 ARG 53 2HB ARG 53 -16.596 -1.425 3.404
455 HB3 ARG 53 3HB ARG 53 -18.187 -1.341 2.634
456 HG2 ARG 53 2HG ARG 53 -17.274 -0.919 0.477
457 HG3 ARG 53 3HG ARG 53 -15.638 -0.654 1.109
458 HD2 ARG 53 2HD ARG 53 -15.329 -2.921 1.664
459 HD3 ARG 53 3HD ARG 53 -17.050 -3.278 1.605
460 HE ARG 53 HE ARG 53 -15.227 -2.888 -0.744
461 HH11 ARG 53 2HH1 ARG 53 -18.433 -3.852 0.331
462 HH12 ARG 53 1HH1 ARG 53 -18.876 -4.421 -1.255
463 HH21 ARG 53 2HH2 ARG 53 -15.867 -3.565 -2.692
464 HH22 ARG 53 1HH2 ARG 53 -17.452 -4.280 -2.930
465 H ALA 54 H ALA 54 -17.075 0.265 5.423
466 HA ALA 54 HA ALA 54 -19.848 0.607 6.122
467 HB1 ALA 54 1HB ALA 54 -17.361 0.939 7.872
468 HB2 ALA 54 2HB ALA 54 -19.015 0.657 8.441
469 HB3 ALA 54 3HB ALA 54 -18.171 -0.611 7.524
470 H LYS 55 H LYS 55 -17.216 2.994 5.930
471 HA LYS 55 HA LYS 55 -18.852 5.187 6.941
472 HB2 LYS 55 2HB LYS 55 -16.148 5.038 5.581
473 HB3 LYS 55 3HB LYS 55 -16.905 6.568 6.049
474 HG2 LYS 55 2HG LYS 55 -16.961 5.941 8.389
475 HG3 LYS 55 3HG LYS 55 -16.460 4.294 8.030
476 HD2 LYS 55 2HD LYS 55 -14.563 5.487 8.901
477 HD3 LYS 55 3HD LYS 55 -14.289 5.075 7.214
478 HE2 LYS 55 2HE LYS 55 -13.451 7.291 7.556
479 HE3 LYS 55 3HE LYS 55 -14.896 7.420 6.555
480 HZ1 LYS 55 3HZ LYS 55 -16.133 8.076 8.569
481 HZ2 LYS 55 1HZ LYS 55 -14.867 9.078 8.342
482 HZ3 LYS 55 2HZ LYS 55 -14.788 7.925 9.489
483 H TRP 56 H TRP 56 -18.006 4.019 3.694
484 HA TRP 56 HA TRP 56 -18.868 6.115 2.056
485 HB2 TRP 56 2HB TRP 56 -17.787 4.407 0.929
486 HB3 TRP 56 3HB TRP 56 -18.615 3.142 1.812
487 HD1 TRP 56 1HD TRP 56 -19.772 5.783 -0.733
488 HE1 TRP 56 1HE TRP 56 -21.436 4.675 -2.397
489 HE3 TRP 56 3HE TRP 56 -19.838 1.090 1.222
490 HZ2 TRP 56 2HZ TRP 56 -22.608 2.101 -2.790
491 HZ3 TRP 56 3HZ TRP 56 -21.246 -0.693 0.203
492 HH2 TRP 56 2HH TRP 56 -22.632 -0.200 -1.804
493 H ARG 57 H ARG 57 -20.810 3.457 3.391
494 HA ARG 57 HA ARG 57 -23.264 4.060 2.144
495 HB2 ARG 57 2HB ARG 57 -22.470 2.666 4.733
496 HB3 ARG 57 3HB ARG 57 -24.171 2.715 4.190
497 HG2 ARG 57 2HG ARG 57 -23.550 1.595 2.081
498 HG3 ARG 57 3HG ARG 57 -21.848 1.646 2.539
499 HD2 ARG 57 2HD ARG 57 -22.586 -0.566 3.017
500 HD3 ARG 57 3HD ARG 57 -22.337 0.272 4.545
501 HE ARG 57 HE ARG 57 -24.599 0.082 5.031
502 HH11 ARG 57 2HH1 ARG 57 -24.254 -0.698 1.629
503 HH12 ARG 57 1HH1 ARG 57 -25.901 -1.255 1.502
504 HH21 ARG 57 2HH2 ARG 57 -26.684 -0.628 4.788
505 HH22 ARG 57 1HH2 ARG 57 -27.232 -1.210 3.245
506 H LYS 58 H LYS 58 -21.861 5.768 4.784
507 HA LYS 58 HA LYS 58 -24.388 7.165 5.539
508 HB2 LYS 58 2HB LYS 58 -21.549 7.319 6.636
509 HB3 LYS 58 3HB LYS 58 -22.830 8.408 7.124
510 HG2 LYS 58 2HG LYS 58 -22.661 6.766 8.785
511 HG3 LYS 58 3HG LYS 58 -24.196 6.515 7.949
512 HD2 LYS 58 2HD LYS 58 -23.364 4.554 6.830
513 HD3 LYS 58 3HD LYS 58 -21.685 4.957 7.262
514 HE2 LYS 58 2HE LYS 58 -22.204 4.601 9.647
515 HE3 LYS 58 3HE LYS 58 -23.881 4.202 9.243
516 HZ1 LYS 58 3HZ LYS 58 -23.112 2.272 8.051
517 HZ2 LYS 58 1HZ LYS 58 -22.387 2.231 9.515
518 HZ3 LYS 58 2HZ LYS 58 -21.541 2.709 8.186
519 H ARG 59 H ARG 59 -21.979 7.631 3.201
520 HA ARG 59 HA ARG 59 -22.713 10.529 2.864
521 HB2 ARG 59 2HB ARG 59 -19.988 9.202 2.488
522 HB3 ARG 59 3HB ARG 59 -20.355 10.881 2.097
523 HG2 ARG 59 2HG ARG 59 -20.457 9.661 4.894
524 HG3 ARG 59 3HG ARG 59 -19.165 10.665 4.244
525 HD2 ARG 59 2HD ARG 59 -20.678 12.569 4.006
526 HD3 ARG 59 3HD ARG 59 -22.052 11.608 4.535
527 HE ARG 59 HE ARG 59 -19.792 12.567 6.214
528 HH11 ARG 59 2HH2 ARG 59 -22.908 10.900 6.187
529 HH12 ARG 59 1HH2 ARG 59 -23.138 11.180 7.893
530 HH21 ARG 59 2HH1 ARG 59 -20.158 12.807 8.379
531 HH22 ARG 59 1HH1 ARG 59 -21.612 12.181 9.097
532 H GLU 60 H GLU 60 -22.517 7.500 1.353
533 HA GLU 60 HA GLU 60 -22.849 6.720 -0.716
534 HB2 GLU 60 2HB GLU 60 -24.641 9.151 -0.969
535 HB3 GLU 60 3HB GLU 60 -24.646 7.739 -2.040
536 HG2 GLU 60 2HG GLU 60 -25.146 6.259 -0.112
537 HG3 GLU 60 3HG GLU 60 -25.200 7.653 0.963
538 H GLU 61 H GLU 61 -20.468 7.745 -0.489
539 HA GLU 61 HA GLU 61 -19.484 9.654 -2.295
540 HB2 GLU 61 2HB GLU 61 -18.138 7.005 -1.583
541 HB3 GLU 61 3HB GLU 61 -17.360 8.442 -2.210
542 HG2 GLU 61 2HG GLU 61 -18.100 9.669 -0.111
543 HG3 GLU 61 3HG GLU 61 -18.651 8.113 0.525
544 H PHE 62 H PHE 62 -20.421 6.352 -2.972
545 HA PHE 62 HA PHE 62 -20.168 6.732 -5.903
546 HB2 PHE 62 2HB PHE 62 -18.246 5.408 -5.095
547 HB3 PHE 62 3HB PHE 62 -19.328 4.299 -4.270
548 HD1 PHE 62 2HD PHE 62 -18.362 5.581 -7.654
549 HD2 PHE 62 1HD PHE 62 -20.307 2.446 -5.419
550 HE1 PHE 62 2HE PHE 62 -18.516 4.202 -9.719
551 HE2 PHE 62 1HE PHE 62 -20.455 1.069 -7.484
552 HZ PHE 62 HZ PHE 62 -19.562 1.946 -9.634
553 H ILE 63 H ILE 63 -21.744 5.601 -7.105
554 HA ILE 63 HA ILE 63 -24.085 4.507 -5.594
555 HB ILE 63 HB ILE 63 -24.120 6.218 -8.098
556 HG12 ILE 63 2HG1 ILE 63 -23.680 7.623 -6.144
557 HG13 ILE 63 3HG1 ILE 63 -25.262 7.926 -6.825
558 HG21 ILE 63 1HG2 ILE 63 -26.615 6.167 -7.794
559 HG22 ILE 63 2HG2 ILE 63 -25.912 4.617 -8.249
560 HG23 ILE 63 3HG2 ILE 63 -26.400 4.902 -6.567
561 HD11 ILE 63 3HD1 ILE 63 -25.327 7.968 -4.382
562 HD12 ILE 63 1HD1 ILE 63 -24.734 6.301 -4.298
563 HD13 ILE 63 2HD1 ILE 63 -26.335 6.650 -4.991
564 H VAL 64 H VAL 64 -24.658 2.526 -6.150
565 HA VAL 64 HA VAL 64 -23.304 1.132 -8.366
566 HB VAL 64 HB VAL 64 -25.354 -0.045 -6.473
567 HG11 VAL 64 1HG1 VAL 64 -24.816 -1.428 -8.457
568 HG12 VAL 64 2HG1 VAL 64 -23.079 -1.276 -8.108
569 HG13 VAL 64 3HG1 VAL 64 -24.152 -2.157 -7.001
570 HG21 VAL 64 3HG2 VAL 64 -23.414 -0.891 -5.141
571 HG22 VAL 64 1HG2 VAL 64 -22.326 0.128 -6.108
572 HG23 VAL 64 2HG2 VAL 64 -23.556 0.863 -5.056
573 H THR 65 H THR 65 -24.263 0.417 -10.230
574 HA THR 65 HA THR 65 -26.788 1.766 -10.950
575 HB THR 65 HB THR 65 -25.953 1.468 -13.279
576 HG1 THR 65 1HG THR 65 -23.827 0.761 -13.528
577 HG21 THR 65 1HG2 THR 65 -24.163 3.121 -13.096
578 HG22 THR 65 2HG2 THR 65 -23.936 2.731 -11.373
579 HG23 THR 65 3HG2 THR 65 -25.442 3.495 -11.922
580 H ASP 66 H ASP 66 -26.383 -1.077 -9.791
581 HA ASP 66 HA ASP 66 -27.380 -2.989 -11.658
582 HB2 ASP 66 2HB ASP 66 -27.512 -4.496 -9.895
583 HB3 ASP 66 3HB ASP 66 -26.156 -3.461 -9.500
Start of MODEL 18
1 H1 GLY -1 1H GLY -1 -12.285 16.130 31.457
2 H2 GLY -1 2H GLY -1 -11.501 16.748 32.757
3 H3 GLY -1 3H GLY -1 -11.719 15.129 32.622
4 HA2 GLY -1 2HA GLY -1 -10.056 16.780 30.834
5 HA3 GLY -1 3HA GLY -1 -9.437 15.711 32.108
6 H SER 0 H SER 0 -9.171 15.736 29.076
7 HA SER 0 HA SER 0 -9.917 12.893 28.531
8 HB2 SER 0 2HB SER 0 -10.375 15.244 26.653
9 HB3 SER 0 3HB SER 0 -10.623 13.532 26.261
10 HG SER 0 HG SER 0 -12.576 14.576 26.880
11 H GLN 1 H GLN 1 -8.613 11.792 27.063
12 HA GLN 1 HA GLN 1 -5.836 12.456 27.085
13 HB2 GLN 1 2HB GLN 1 -7.413 10.424 25.445
14 HB3 GLN 1 3HB GLN 1 -5.649 10.505 25.507
15 HG2 GLN 1 2HG GLN 1 -5.694 10.106 27.949
16 HG3 GLN 1 3HG GLN 1 -7.453 9.963 27.900
17 HE21 GLN 1 2HE2 GLN 1 -6.171 7.817 28.946
18 HE22 GLN 1 1HE2 GLN 1 -6.139 6.497 27.783
19 H ARG 2 H ARG 2 -8.299 12.971 24.617
20 HA ARG 2 HA ARG 2 -8.372 13.954 22.570
21 HB2 ARG 2 2HB ARG 2 -6.100 15.601 23.729
22 HB3 ARG 2 3HB ARG 2 -6.985 16.015 22.263
23 HG2 ARG 2 2HG ARG 2 -9.066 16.260 23.440
24 HG3 ARG 2 3HG ARG 2 -8.390 15.637 24.947
25 HD2 ARG 2 2HD ARG 2 -7.400 18.157 23.569
26 HD3 ARG 2 3HD ARG 2 -8.634 18.140 24.842
27 HE ARG 2 HE ARG 2 -6.577 16.743 26.001
28 HH11 ARG 2 2HH1 ARG 2 -6.736 19.960 24.619
29 HH12 ARG 2 1HH1 ARG 2 -5.450 20.558 25.633
30 HH21 ARG 2 2HH2 ARG 2 -4.934 17.563 27.246
31 HH22 ARG 2 1HH2 ARG 2 -4.464 19.230 27.083
32 H ARG 3 H ARG 3 -6.142 11.748 23.016
33 HA ARG 3 HA ARG 3 -4.442 12.034 20.670
34 HB2 ARG 3 2HB ARG 3 -5.175 9.518 22.233
35 HB3 ARG 3 3HB ARG 3 -3.870 9.669 21.065
36 HG2 ARG 3 2HG ARG 3 -4.063 10.998 23.793
37 HG3 ARG 3 3HG ARG 3 -2.957 9.725 23.306
38 HD2 ARG 3 2HD ARG 3 -2.955 12.594 22.278
39 HD3 ARG 3 3HD ARG 3 -1.848 11.910 23.471
40 HE ARG 3 HE ARG 3 -1.566 10.250 21.260
41 HH11 ARG 3 2HH1 ARG 3 -1.010 13.658 21.849
42 HH12 ARG 3 1HH1 ARG 3 0.235 13.758 20.633
43 HH21 ARG 3 2HH2 ARG 3 0.023 10.451 19.716
44 HH22 ARG 3 1HH2 ARG 3 0.802 11.985 19.467
45 H GLN 4 H GLN 4 -4.655 11.220 18.656
46 HA GLN 4 HA GLN 4 -7.429 10.851 17.768
47 HB2 GLN 4 2HB GLN 4 -4.853 11.168 16.187
48 HB3 GLN 4 3HB GLN 4 -6.486 11.215 15.523
49 HG2 GLN 4 2HG GLN 4 -5.302 13.215 17.507
50 HG3 GLN 4 3HG GLN 4 -5.580 13.479 15.795
51 HE21 GLN 4 1HE2 GLN 4 -6.999 13.894 18.917
52 HE22 GLN 4 2HE2 GLN 4 -8.623 14.203 18.328
53 H ARG 5 H ARG 5 -4.892 8.704 18.475
54 HA ARG 5 HA ARG 5 -4.546 6.463 18.217
55 HB2 ARG 5 2HB ARG 5 -7.583 6.455 18.261
56 HB3 ARG 5 3HB ARG 5 -6.538 5.080 18.627
57 HG2 ARG 5 2HG ARG 5 -5.566 6.301 20.554
58 HG3 ARG 5 3HG ARG 5 -6.654 7.669 20.231
59 HD2 ARG 5 2HD ARG 5 -8.613 6.196 20.517
60 HD3 ARG 5 3HD ARG 5 -7.540 4.818 20.833
61 HE ARG 5 HE ARG 5 -6.878 6.855 22.695
62 HH11 ARG 5 2HH1 ARG 5 -9.599 4.743 22.056
63 HH12 ARG 5 1HH1 ARG 5 -10.113 4.744 23.721
64 HH21 ARG 5 2HH2 ARG 5 -7.592 6.812 24.828
65 HH22 ARG 5 1HH2 ARG 5 -9.009 5.879 25.227
66 H THR 6 H THR 6 -4.695 7.857 15.600
67 HA THR 6 HA THR 6 -5.726 5.749 13.775
68 HB THR 6 HB THR 6 -4.712 8.551 13.203
69 HG1 THR 6 1HG THR 6 -6.757 8.291 14.304
70 HG21 THR 6 1HG2 THR 6 -6.011 6.486 11.362
71 HG22 THR 6 2HG2 THR 6 -4.378 7.185 11.203
72 HG23 THR 6 3HG2 THR 6 -5.797 8.207 10.976
73 H HIS 7 H HIS 7 -4.474 4.356 12.709
74 HA HIS 7 HA HIS 7 -1.571 4.307 13.242
75 HB2 HIS 7 2HB HIS 7 -3.518 2.363 11.948
76 HB3 HIS 7 3HB HIS 7 -1.783 2.095 12.015
77 HD2 HIS 7 2HD HIS 7 -4.370 3.080 14.831
78 HE1 HIS 7 1HE HIS 7 -2.024 -0.192 16.224
79 HE2 HIS 7 2HE HIS 7 -3.894 1.431 16.817
80 H PHE 8 H PHE 8 -3.637 5.078 10.516
81 HA PHE 8 HA PHE 8 -1.528 4.854 8.502
82 HB2 PHE 8 2HB PHE 8 -4.309 6.046 8.345
83 HB3 PHE 8 3HB PHE 8 -3.222 5.771 6.989
84 HD1 PHE 8 1HD PHE 8 -2.764 3.510 6.139
85 HD2 PHE 8 2HD PHE 8 -5.516 4.161 9.396
86 HE1 PHE 8 1HE PHE 8 -3.655 1.212 5.852
87 HE2 PHE 8 2HE PHE 8 -6.372 1.845 9.134
88 HZ PHE 8 HZ PHE 8 -5.438 0.366 7.370
89 H THR 9 H THR 9 -0.895 6.642 7.124
90 HA THR 9 HA THR 9 -0.573 9.228 8.588
91 HB THR 9 HB THR 9 1.247 9.774 7.286
92 HG1 THR 9 1HG THR 9 1.847 8.594 5.439
93 HG21 THR 9 1HG2 THR 9 1.765 7.891 8.848
94 HG22 THR 9 2HG2 THR 9 2.836 7.959 7.432
95 HG23 THR 9 3HG2 THR 9 1.532 6.757 7.500
96 H SER 10 H SER 10 -0.918 11.235 7.481
97 HA SER 10 HA SER 10 -3.254 11.420 5.912
98 HB2 SER 10 2HB SER 10 -1.047 13.478 6.014
99 HB3 SER 10 3HB SER 10 -2.782 13.722 5.700
100 HG SER 10 HG SER 10 -2.210 14.240 7.871
101 H GLN 11 H GLN 11 -0.208 10.368 4.792
102 HA GLN 11 HA GLN 11 -0.776 11.137 1.972
103 HB2 GLN 11 2HB GLN 11 1.478 11.564 2.946
104 HB3 GLN 11 3HB GLN 11 1.688 9.821 3.173
105 HG2 GLN 11 2HG GLN 11 1.492 9.473 0.726
106 HG3 GLN 11 3HG GLN 11 1.163 11.197 0.495
107 HE21 GLN 11 1HE2 GLN 11 3.708 8.881 1.606
108 HE22 GLN 11 2HE2 GLN 11 5.032 9.978 1.246
109 H GLN 12 H GLN 12 -0.356 8.220 4.067
110 HA GLN 12 HA GLN 12 -0.623 6.229 2.023
111 HB2 GLN 12 2HB GLN 12 -1.375 6.236 4.973
112 HB3 GLN 12 3HB GLN 12 -1.433 4.793 3.944
113 HG2 GLN 12 2HG GLN 12 0.917 4.889 3.491
114 HG3 GLN 12 3HG GLN 12 1.105 6.395 4.383
115 HE21 GLN 12 2HE2 GLN 12 2.305 3.696 4.814
116 HE22 GLN 12 1HE2 GLN 12 1.940 3.302 6.487
117 H LEU 13 H LEU 13 -3.035 7.819 4.083
118 HA LEU 13 HA LEU 13 -5.401 6.530 3.268
119 HB2 LEU 13 2HB LEU 13 -4.878 9.426 4.050
120 HB3 LEU 13 3HB LEU 13 -6.480 8.694 3.971
121 HG LEU 13 HG LEU 13 -4.267 7.596 5.771
122 HD11 LEU 13 1HD1 LEU 13 -6.461 9.552 6.528
123 HD12 LEU 13 2HD1 LEU 13 -5.261 8.800 7.617
124 HD13 LEU 13 3HD1 LEU 13 -4.728 9.934 6.374
125 HD21 LEU 13 3HD2 LEU 13 -5.967 5.993 5.387
126 HD22 LEU 13 1HD2 LEU 13 -6.177 6.634 7.017
127 HD23 LEU 13 2HD2 LEU 13 -7.261 7.194 5.722
128 H GLN 14 H GLN 14 -3.583 9.001 1.522
129 HA GLN 14 HA GLN 14 -5.720 9.691 -0.332
130 HB2 GLN 14 2HB GLN 14 -2.743 10.044 -0.812
131 HB3 GLN 14 3HB GLN 14 -4.074 10.920 -1.558
132 HG2 GLN 14 2HG GLN 14 -3.112 11.081 1.307
133 HG3 GLN 14 3HG GLN 14 -2.938 12.322 0.079
134 HE21 GLN 14 2HE2 GLN 14 -4.223 12.396 2.764
135 HE22 GLN 14 1HE2 GLN 14 -5.871 12.971 2.462
136 H GLU 15 H GLU 15 -2.935 7.439 -0.427
137 HA GLU 15 HA GLU 15 -3.430 6.578 -3.166
138 HB2 GLU 15 2HB GLU 15 -1.869 5.149 -0.987
139 HB3 GLU 15 3HB GLU 15 -1.767 4.876 -2.723
140 HG2 GLU 15 2HG GLU 15 -0.838 7.301 -1.151
141 HG3 GLU 15 3HG GLU 15 0.154 6.154 -2.027
142 H LEU 16 H LEU 16 -4.457 5.431 0.015
143 HA LEU 16 HA LEU 16 -5.769 3.031 -0.857
144 HB2 LEU 16 2HB LEU 16 -6.077 4.876 1.540
145 HB3 LEU 16 3HB LEU 16 -7.012 3.399 1.354
146 HG LEU 16 HG LEU 16 -3.980 3.293 1.197
147 HD11 LEU 16 1HD1 LEU 16 -3.912 2.791 3.586
148 HD12 LEU 16 2HD1 LEU 16 -4.507 4.433 3.295
149 HD13 LEU 16 3HD1 LEU 16 -5.645 3.140 3.723
150 HD21 LEU 16 3HD2 LEU 16 -6.113 1.289 2.039
151 HD22 LEU 16 1HD2 LEU 16 -5.247 1.311 0.486
152 HD23 LEU 16 2HD2 LEU 16 -4.360 0.996 1.987
153 H GLU 17 H GLU 17 -7.167 6.334 -0.174
154 HA GLU 17 HA GLU 17 -9.684 5.471 -1.272
155 HB2 GLU 17 2HB GLU 17 -10.571 7.512 -0.855
156 HB3 GLU 17 3HB GLU 17 -9.404 7.269 0.444
157 HG2 GLU 17 2HG GLU 17 -7.867 8.863 -0.595
158 HG3 GLU 17 3HG GLU 17 -8.927 9.016 -1.999
159 H ALA 18 H ALA 18 -6.886 6.806 -2.893
160 HA ALA 18 HA ALA 18 -8.327 7.401 -5.351
161 HB1 ALA 18 1HB ALA 18 -5.358 6.955 -4.825
162 HB2 ALA 18 2HB ALA 18 -6.068 7.605 -6.318
163 HB3 ALA 18 3HB ALA 18 -6.213 8.517 -4.806
164 H THR 19 H THR 19 -6.313 4.573 -4.272
165 HA THR 19 HA THR 19 -6.769 3.175 -6.743
166 HB THR 19 HB THR 19 -4.882 2.851 -5.054
167 HG1 THR 19 1HG THR 19 -4.576 0.866 -5.948
168 HG21 THR 19 1HG2 THR 19 -5.075 1.224 -3.377
169 HG22 THR 19 2HG2 THR 19 -6.604 0.577 -4.039
170 HG23 THR 19 3HG2 THR 19 -6.552 2.136 -3.167
171 H PHE 20 H PHE 20 -8.597 3.316 -3.751
172 HA PHE 20 HA PHE 20 -10.493 1.262 -4.162
173 HB2 PHE 20 2HB PHE 20 -10.268 2.465 -2.084
174 HB3 PHE 20 3HB PHE 20 -10.652 3.989 -2.865
175 HD1 PHE 20 2HD PHE 20 -12.398 0.624 -2.872
176 HD2 PHE 20 1HD PHE 20 -12.611 4.829 -1.944
177 HE1 PHE 20 2HE PHE 20 -14.760 0.348 -2.183
178 HE2 PHE 20 1HE PHE 20 -14.986 4.552 -1.272
179 HZ PHE 20 HZ PHE 20 -16.062 2.314 -1.383
180 H GLN 21 H GLN 21 -10.191 4.380 -5.863
181 HA GLN 21 HA GLN 21 -12.888 4.305 -6.927
182 HB2 GLN 21 2HB GLN 21 -10.461 5.772 -8.023
183 HB3 GLN 21 3HB GLN 21 -12.147 6.079 -8.442
184 HG2 GLN 21 2HG GLN 21 -10.673 6.710 -5.895
185 HG3 GLN 21 3HG GLN 21 -11.496 7.819 -6.971
186 HE21 GLN 21 2HE2 GLN 21 -11.741 6.542 -3.978
187 HE22 GLN 21 1HE2 GLN 21 -13.506 6.508 -3.814
188 H ARG 22 H ARG 22 -9.740 3.189 -8.126
189 HA ARG 22 HA ARG 22 -10.913 2.233 -10.679
190 HB2 ARG 22 2HB ARG 22 -8.650 1.599 -11.283
191 HB3 ARG 22 3HB ARG 22 -8.762 3.303 -10.825
192 HG2 ARG 22 2HG ARG 22 -7.787 2.807 -8.629
193 HG3 ARG 22 3HG ARG 22 -7.687 1.082 -9.020
194 HD2 ARG 22 2HD ARG 22 -6.224 3.332 -10.469
195 HD3 ARG 22 3HD ARG 22 -5.531 2.286 -9.238
196 HE ARG 22 HE ARG 22 -5.656 0.395 -10.692
197 HH11 ARG 22 2HH2 ARG 22 -6.405 3.359 -12.420
198 HH12 ARG 22 1HH2 ARG 22 -6.092 2.630 -13.970
199 HH21 ARG 22 2HH1 ARG 22 -5.278 -0.455 -12.699
200 HH22 ARG 22 1HH1 ARG 22 -5.470 0.533 -14.115
201 H ASN 23 H ASN 23 -10.074 0.891 -7.582
202 HA ASN 23 HA ASN 23 -11.161 -1.725 -8.491
203 HB2 ASN 23 2HB ASN 23 -8.623 -1.759 -8.403
204 HB3 ASN 23 3HB ASN 23 -8.722 -1.419 -6.675
205 HD21 ASN 23 1HD2 ASN 23 -7.486 -3.765 -7.515
206 HD22 ASN 23 2HD2 ASN 23 -8.536 -5.134 -7.197
207 H HIS 24 H HIS 24 -13.094 -1.677 -7.459
208 HA HIS 24 HA HIS 24 -13.397 -0.496 -4.790
209 HB2 HIS 24 2HB HIS 24 -15.299 -1.846 -6.731
210 HB3 HIS 24 3HB HIS 24 -15.781 -1.339 -5.118
211 HD2 HIS 24 2HD HIS 24 -13.948 0.507 -8.090
212 HE1 HIS 24 1HE HIS 24 -16.886 3.133 -6.479
213 HE2 HIS 24 2HE HIS 24 -15.070 2.863 -8.253
214 H TYR 25 H TYR 25 -12.431 -3.586 -5.876
215 HA TYR 25 HA TYR 25 -12.795 -4.773 -3.208
216 HB2 TYR 25 2HB TYR 25 -13.897 -6.820 -4.238
217 HB3 TYR 25 3HB TYR 25 -14.866 -5.393 -3.998
218 HD1 TYR 25 2HD TYR 25 -15.818 -4.126 -5.825
219 HD2 TYR 25 1HD TYR 25 -13.356 -7.586 -6.581
220 HE1 TYR 25 2HE TYR 25 -16.574 -4.150 -8.202
221 HE2 TYR 25 1HE TYR 25 -14.114 -7.612 -8.945
222 HH TYR 25 HH TYR 25 -15.416 -6.609 -10.541
223 HA PRO 26 HA PRO 26 -8.836 -6.168 -5.256
224 HB2 PRO 26 2HB PRO 26 -7.059 -5.199 -3.422
225 HB3 PRO 26 3HB PRO 26 -7.653 -4.244 -4.793
226 HG2 PRO 26 2HG PRO 26 -8.629 -4.189 -1.957
227 HG3 PRO 26 3HG PRO 26 -8.257 -2.809 -3.030
228 HD2 PRO 26 2HD PRO 26 -10.816 -3.725 -2.656
229 HD3 PRO 26 3HD PRO 26 -10.262 -3.063 -4.221
230 H ASP 27 H ASP 27 -7.199 -7.619 -4.163
231 HA ASP 27 HA ASP 27 -8.132 -9.027 -1.728
232 HB2 ASP 27 2HB ASP 27 -8.964 -10.057 -4.098
233 HB3 ASP 27 3HB ASP 27 -7.384 -10.799 -4.032
234 H MET 28 H MET 28 -6.328 -11.071 -1.553
235 HA MET 28 HA MET 28 -4.078 -9.844 -0.567
236 HB2 MET 28 2HB MET 28 -2.999 -12.000 -0.495
237 HB3 MET 28 3HB MET 28 -4.704 -12.172 -0.087
238 HG2 MET 28 2HG MET 28 -5.216 -13.104 -2.255
239 HG3 MET 28 3HG MET 28 -3.629 -12.717 -2.890
240 HE1 MET 28 3HE MET 28 -1.416 -13.617 -1.028
241 HE2 MET 28 1HE MET 28 -1.201 -15.275 -1.626
242 HE3 MET 28 2HE MET 28 -1.570 -13.956 -2.764
243 H SER 29 H SER 29 -4.441 -10.663 -3.990
244 HA SER 29 HA SER 29 -1.587 -10.234 -4.540
245 HB2 SER 29 2HB SER 29 -3.919 -10.515 -6.474
246 HB3 SER 29 3HB SER 29 -2.195 -10.562 -6.889
247 HG SER 29 HG SER 29 -3.076 -12.670 -6.652
248 H THR 30 H THR 30 -4.566 -8.299 -4.753
249 HA THR 30 HA THR 30 -3.140 -6.065 -6.086
250 HB THR 30 HB THR 30 -5.609 -5.082 -5.747
251 HG1 THR 30 1HG THR 30 -6.265 -7.700 -6.355
252 HG21 THR 30 1HG2 THR 30 -4.497 -5.343 -7.913
253 HG22 THR 30 2HG2 THR 30 -6.147 -5.981 -8.008
254 HG23 THR 30 3HG2 THR 30 -4.767 -7.098 -7.877
255 H ARG 31 H ARG 31 -4.616 -6.808 -2.947
256 HA ARG 31 HA ARG 31 -4.212 -4.266 -1.690
257 HB2 ARG 31 2HB ARG 31 -4.294 -7.115 -0.604
258 HB3 ARG 31 3HB ARG 31 -4.253 -5.677 0.426
259 HG2 ARG 31 2HG ARG 31 -6.351 -4.852 -0.657
260 HG3 ARG 31 3HG ARG 31 -6.422 -6.335 -1.605
261 HD2 ARG 31 2HD ARG 31 -6.504 -7.657 0.516
262 HD3 ARG 31 3HD ARG 31 -6.625 -6.149 1.421
263 HE ARG 31 HE ARG 31 -8.705 -7.481 -0.144
264 HH11 ARG 31 2HH1 ARG 31 -7.836 -4.314 1.033
265 HH12 ARG 31 1HH1 ARG 31 -9.400 -3.651 0.673
266 HH21 ARG 31 2HH2 ARG 31 -10.600 -6.551 -0.690
267 HH22 ARG 31 1HH2 ARG 31 -11.026 -4.982 -0.058
268 H GLU 32 H GLU 32 -2.022 -7.116 -1.933
269 HA GLU 32 HA GLU 32 0.161 -5.827 -0.551
270 HB2 GLU 32 2HB GLU 32 0.072 -8.073 -2.606
271 HB3 GLU 32 3HB GLU 32 1.576 -7.455 -1.904
272 HG2 GLU 32 2HG GLU 32 0.775 -7.960 0.363
273 HG3 GLU 32 3HG GLU 32 -0.736 -8.578 -0.283
274 H GLU 33 H GLU 33 -0.752 -5.955 -4.025
275 HA GLU 33 HA GLU 33 1.459 -4.545 -5.037
276 HB2 GLU 33 2HB GLU 33 -0.127 -5.713 -6.446
277 HB3 GLU 33 3HB GLU 33 -1.406 -4.560 -6.062
278 HG2 GLU 33 2HG GLU 33 -0.278 -2.770 -7.208
279 HG3 GLU 33 3HG GLU 33 1.184 -3.730 -7.392
280 H ILE 34 H ILE 34 -1.418 -3.059 -3.467
281 HA ILE 34 HA ILE 34 -0.274 -0.378 -3.961
282 HB ILE 34 HB ILE 34 -2.154 0.601 -3.197
283 HG12 ILE 34 2HG1 ILE 34 -4.010 -0.883 -1.970
284 HG13 ILE 34 3HG1 ILE 34 -2.592 -1.753 -1.399
285 HG21 ILE 34 1HG2 ILE 34 -2.547 -0.823 -5.234
286 HG22 ILE 34 2HG2 ILE 34 -3.300 -2.028 -4.168
287 HG23 ILE 34 3HG2 ILE 34 -4.019 -0.440 -4.307
288 HD11 ILE 34 3HD1 ILE 34 -3.155 1.243 -1.088
289 HD12 ILE 34 1HD1 ILE 34 -1.704 0.431 -0.469
290 HD13 ILE 34 2HD1 ILE 34 -3.283 0.002 0.174
291 H ALA 35 H ALA 35 -0.273 -2.735 -1.339
292 HA ALA 35 HA ALA 35 0.488 -0.916 0.753
293 HB1 ALA 35 1HB ALA 35 0.885 -3.005 2.003
294 HB2 ALA 35 2HB ALA 35 -0.666 -3.041 1.166
295 HB3 ALA 35 3HB ALA 35 0.726 -3.939 0.514
296 H VAL 36 H VAL 36 2.237 -2.730 -1.616
297 HA VAL 36 HA VAL 36 4.781 -3.036 -0.526
298 HB VAL 36 HB VAL 36 3.497 -3.049 -3.228
299 HG11 VAL 36 1HG1 VAL 36 5.516 -3.614 -4.445
300 HG12 VAL 36 2HG1 VAL 36 5.517 -1.933 -3.922
301 HG13 VAL 36 3HG1 VAL 36 6.518 -3.132 -3.053
302 HG21 VAL 36 3HG2 VAL 36 4.232 -5.330 -3.241
303 HG22 VAL 36 1HG2 VAL 36 5.365 -5.048 -1.894
304 HG23 VAL 36 2HG2 VAL 36 3.614 -5.000 -1.618
305 H TRP 37 H TRP 37 3.529 -0.138 -2.131
306 HA TRP 37 HA TRP 37 6.164 1.194 -1.696
307 HB2 TRP 37 2HB TRP 37 5.407 2.734 -3.537
308 HB3 TRP 37 3HB TRP 37 5.826 1.102 -3.995
309 HD1 TRP 37 1HD TRP 37 3.884 -0.560 -4.714
310 HE1 TRP 37 1HE TRP 37 1.503 -0.252 -5.471
311 HE3 TRP 37 3HE TRP 37 3.374 4.379 -3.553
312 HZ2 TRP 37 2HZ TRP 37 -0.429 1.951 -5.682
313 HZ3 TRP 37 3HZ TRP 37 1.250 5.582 -4.072
314 HH2 TRP 37 2HH TRP 37 -0.657 4.375 -5.102
315 H THR 38 H THR 38 3.402 0.938 -0.113
316 HA THR 38 HA THR 38 3.315 3.824 0.703
317 HB THR 38 HB THR 38 0.997 3.427 1.442
318 HG1 THR 38 1HG THR 38 0.856 1.160 -0.127
319 HG21 THR 38 1HG2 THR 38 1.526 2.714 -1.493
320 HG22 THR 38 2HG2 THR 38 1.422 4.352 -0.820
321 HG23 THR 38 3HG2 THR 38 -0.012 3.304 -0.821
322 H ASN 39 H ASN 39 4.743 1.138 1.723
323 HA ASN 39 HA ASN 39 5.458 0.274 3.664
324 HB2 ASN 39 2HB ASN 39 6.207 2.709 3.869
325 HB3 ASN 39 3HB ASN 39 4.850 2.938 4.965
326 HD21 ASN 39 1HD2 ASN 39 6.664 3.566 6.460
327 HD22 ASN 39 2HD2 ASN 39 7.469 2.270 7.333
328 H LEU 40 H LEU 40 2.918 -0.437 3.059
329 HA LEU 40 HA LEU 40 1.636 -0.921 5.730
330 HB2 LEU 40 2HB LEU 40 0.391 -0.689 2.961
331 HB3 LEU 40 3HB LEU 40 -0.488 -1.203 4.387
332 HG LEU 40 HG LEU 40 0.748 1.551 3.980
333 HD11 LEU 40 1HD1 LEU 40 -1.584 2.283 3.814
334 HD12 LEU 40 2HD1 LEU 40 -1.213 1.097 2.555
335 HD13 LEU 40 3HD1 LEU 40 -2.149 0.602 3.986
336 HD21 LEU 40 3HD2 LEU 40 0.699 0.988 6.364
337 HD22 LEU 40 1HD2 LEU 40 -0.593 2.136 6.004
338 HD23 LEU 40 2HD2 LEU 40 -0.982 0.422 6.224
339 H THR 41 H THR 41 0.093 -2.942 5.386
340 HA THR 41 HA THR 41 1.338 -5.087 3.768
341 HB THR 41 HB THR 41 2.183 -5.440 6.052
342 HG1 THR 41 1HG THR 41 1.567 -7.574 6.114
343 HG21 THR 41 1HG2 THR 41 0.355 -4.523 7.411
344 HG22 THR 41 2HG2 THR 41 0.644 -6.216 7.828
345 HG23 THR 41 3HG2 THR 41 -0.753 -5.786 6.820
346 H GLU 42 H GLU 42 -0.295 -6.921 3.461
347 HA GLU 42 HA GLU 42 -2.504 -5.715 2.201
348 HB2 GLU 42 2HB GLU 42 -2.897 -7.712 1.273
349 HB3 GLU 42 3HB GLU 42 -1.283 -8.011 1.863
350 HG2 GLU 42 2HG GLU 42 -2.349 -9.951 2.418
351 HG3 GLU 42 3HG GLU 42 -2.445 -9.086 3.941
352 H ALA 43 H ALA 43 -2.341 -7.139 5.383
353 HA ALA 43 HA ALA 43 -5.127 -7.233 5.982
354 HB1 ALA 43 1HB ALA 43 -4.367 -7.418 8.316
355 HB2 ALA 43 2HB ALA 43 -3.395 -8.447 7.247
356 HB3 ALA 43 3HB ALA 43 -2.732 -6.908 7.846
357 H ARG 44 H ARG 44 -2.768 -4.557 6.311
358 HA ARG 44 HA ARG 44 -4.536 -2.669 7.642
359 HB2 ARG 44 2HB ARG 44 -2.193 -2.206 5.738
360 HB3 ARG 44 3HB ARG 44 -3.009 -0.943 6.624
361 HG2 ARG 44 2HG ARG 44 -1.541 -3.244 7.979
362 HG3 ARG 44 3HG ARG 44 -0.850 -1.648 7.636
363 HD2 ARG 44 2HD ARG 44 -2.781 -0.636 8.933
364 HD3 ARG 44 3HD ARG 44 -3.203 -2.290 9.442
365 HE ARG 44 HE ARG 44 -0.443 -1.816 10.010
366 HH11 ARG 44 2HH1 ARG 44 -3.581 -0.822 11.244
367 HH12 ARG 44 1HH1 ARG 44 -2.886 -0.315 12.771
368 HH21 ARG 44 2HH2 ARG 44 0.319 -1.134 12.018
369 HH22 ARG 44 1HH2 ARG 44 -0.812 -0.438 13.157
370 H VAL 45 H VAL 45 -3.835 -3.349 4.214
371 HA VAL 45 HA VAL 45 -5.658 -1.377 3.167
372 HB VAL 45 HB VAL 45 -4.849 -3.955 1.780
373 HG11 VAL 45 1HG1 VAL 45 -6.586 -2.581 0.620
374 HG12 VAL 45 2HG1 VAL 45 -5.500 -1.186 0.694
375 HG13 VAL 45 3HG1 VAL 45 -5.061 -2.608 -0.267
376 HG21 VAL 45 3HG2 VAL 45 -2.764 -2.996 2.512
377 HG22 VAL 45 1HG2 VAL 45 -2.961 -2.596 0.815
378 HG23 VAL 45 2HG2 VAL 45 -3.284 -1.362 2.054
379 H ARG 46 H ARG 46 -6.087 -4.859 3.927
380 HA ARG 46 HA ARG 46 -8.831 -5.070 3.118
381 HB2 ARG 46 2HB ARG 46 -7.115 -6.897 3.591
382 HB3 ARG 46 3HB ARG 46 -7.458 -6.670 5.307
383 HG2 ARG 46 2HG ARG 46 -9.812 -7.266 4.940
384 HG3 ARG 46 3HG ARG 46 -9.561 -7.343 3.189
385 HD2 ARG 46 2HD ARG 46 -8.137 -9.119 5.219
386 HD3 ARG 46 3HD ARG 46 -9.590 -9.592 4.350
387 HE ARG 46 HE ARG 46 -6.832 -9.342 3.280
388 HH11 ARG 46 2HH1 ARG 46 -10.193 -10.069 2.435
389 HH12 ARG 46 1HH1 ARG 46 -9.704 -10.764 0.906
390 HH21 ARG 46 2HH2 ARG 46 -6.386 -10.095 1.292
391 HH22 ARG 46 1HH2 ARG 46 -7.663 -10.829 0.291
392 H VAL 47 H VAL 47 -7.478 -4.290 6.325
393 HA VAL 47 HA VAL 47 -9.982 -3.827 7.646
394 HB VAL 47 HB VAL 47 -7.159 -2.811 8.136
395 HG11 VAL 47 1HG1 VAL 47 -7.924 -2.149 10.409
396 HG12 VAL 47 2HG1 VAL 47 -8.607 -1.124 9.150
397 HG13 VAL 47 3HG1 VAL 47 -9.611 -2.390 9.897
398 HG21 VAL 47 3HG2 VAL 47 -7.672 -5.256 8.483
399 HG22 VAL 47 1HG2 VAL 47 -7.199 -4.419 9.963
400 HG23 VAL 47 2HG2 VAL 47 -8.919 -4.790 9.652
401 H TRP 48 H TRP 48 -7.835 -1.536 5.864
402 HA TRP 48 HA TRP 48 -9.404 0.764 6.419
403 HB2 TRP 48 2HB TRP 48 -7.056 0.716 5.545
404 HB3 TRP 48 3HB TRP 48 -7.690 0.265 3.964
405 HD1 TRP 48 1HD TRP 48 -7.224 3.175 6.308
406 HE1 TRP 48 1HE TRP 48 -7.930 5.371 5.192
407 HE3 TRP 48 3HE TRP 48 -9.487 1.285 2.115
408 HZ2 TRP 48 2HZ TRP 48 -9.213 6.207 2.750
409 HZ3 TRP 48 3HZ TRP 48 -10.524 2.796 0.457
410 HH2 TRP 48 2HH TRP 48 -10.451 5.246 0.792
411 H PHE 49 H PHE 49 -9.504 -1.383 3.513
412 HA PHE 49 HA PHE 49 -11.688 0.012 2.251
413 HB2 PHE 49 2HB PHE 49 -10.456 -2.728 1.976
414 HB3 PHE 49 3HB PHE 49 -11.948 -2.350 1.149
415 HD1 PHE 49 2HD PHE 49 -8.497 -0.757 1.518
416 HD2 PHE 49 1HD PHE 49 -11.854 -1.648 -1.050
417 HE1 PHE 49 2HE PHE 49 -7.267 0.176 -0.425
418 HE2 PHE 49 1HE PHE 49 -10.597 -0.727 -2.966
419 HZ PHE 49 HZ PHE 49 -8.334 0.210 -2.655
420 H LYS 50 H LYS 50 -11.619 -2.594 4.679
421 HA LYS 50 HA LYS 50 -14.454 -3.177 4.584
422 HB2 LYS 50 2HB LYS 50 -12.765 -4.719 5.495
423 HB3 LYS 50 3HB LYS 50 -12.455 -3.609 6.841
424 HG2 LYS 50 2HG LYS 50 -14.761 -3.925 7.659
425 HG3 LYS 50 3HG LYS 50 -15.164 -4.854 6.217
426 HD2 LYS 50 2HD LYS 50 -14.850 -6.412 8.019
427 HD3 LYS 50 3HD LYS 50 -13.547 -6.605 6.853
428 HE2 LYS 50 2HE LYS 50 -12.521 -6.744 8.972
429 HE3 LYS 50 3HE LYS 50 -12.091 -5.155 8.334
430 HZ1 LYS 50 3HZ LYS 50 -13.850 -4.202 9.761
431 HZ2 LYS 50 1HZ LYS 50 -12.797 -5.052 10.674
432 HZ3 LYS 50 2HZ LYS 50 -14.253 -5.686 10.315
433 H ASN 51 H ASN 51 -12.546 -0.886 6.559
434 HA ASN 51 HA ASN 51 -14.894 0.234 7.878
435 HB2 ASN 51 2HB ASN 51 -12.023 1.170 7.493
436 HB3 ASN 51 3HB ASN 51 -13.247 2.216 8.210
437 HD21 ASN 51 1HD2 ASN 51 -11.468 -0.831 8.666
438 HD22 ASN 51 2HD2 ASN 51 -11.805 -0.893 10.396
439 H ARG 52 H ARG 52 -13.082 1.218 4.922
440 HA ARG 52 HA ARG 52 -14.574 3.555 4.436
441 HB2 ARG 52 2HB ARG 52 -12.370 2.740 3.330
442 HB3 ARG 52 3HB ARG 52 -13.379 1.754 2.282
443 HG2 ARG 52 2HG ARG 52 -12.829 3.761 1.094
444 HG3 ARG 52 3HG ARG 52 -14.546 3.820 1.468
445 HD2 ARG 52 2HD ARG 52 -14.082 5.362 3.365
446 HD3 ARG 52 3HD ARG 52 -12.350 5.237 3.031
447 HE ARG 52 HE ARG 52 -14.280 6.283 0.983
448 HH11 ARG 52 2HH1 ARG 52 -11.417 6.992 2.938
449 HH12 ARG 52 1HH1 ARG 52 -11.068 8.406 1.932
450 HH21 ARG 52 2HH2 ARG 52 -13.698 8.200 -0.098
451 HH22 ARG 52 1HH2 ARG 52 -12.224 9.011 0.436
452 H ARG 53 H ARG 53 -15.289 0.250 3.251
453 HA ARG 53 HA ARG 53 -17.614 1.103 1.746
454 HB2 ARG 53 2HB ARG 53 -18.067 -1.175 1.342
455 HB3 ARG 53 3HB ARG 53 -16.318 -0.970 1.300
456 HG2 ARG 53 2HG ARG 53 -16.276 -1.833 3.707
457 HG3 ARG 53 3HG ARG 53 -17.994 -2.224 3.518
458 HD2 ARG 53 2HD ARG 53 -17.388 -3.642 1.533
459 HD3 ARG 53 3HD ARG 53 -15.677 -3.293 1.862
460 HE ARG 53 HE ARG 53 -17.106 -4.375 4.169
461 HH11 ARG 53 2HH2 ARG 53 -15.432 -5.384 1.262
462 HH12 ARG 53 1HH2 ARG 53 -15.104 -6.974 1.893
463 HH21 ARG 53 2HH1 ARG 53 -16.697 -6.440 4.890
464 HH22 ARG 53 1HH1 ARG 53 -15.798 -7.545 3.896
465 H ALA 54 H ALA 54 -17.220 0.174 5.131
466 HA ALA 54 HA ALA 54 -20.069 0.146 5.701
467 HB1 ALA 54 1HB ALA 54 -17.675 0.538 7.555
468 HB2 ALA 54 2HB ALA 54 -19.327 0.128 8.044
469 HB3 ALA 54 3HB ALA 54 -18.375 -1.033 7.095
470 H LYS 55 H LYS 55 -17.576 2.677 5.672
471 HA LYS 55 HA LYS 55 -19.306 4.742 6.781
472 HB2 LYS 55 2HB LYS 55 -16.602 4.799 5.405
473 HB3 LYS 55 3HB LYS 55 -17.437 6.254 5.976
474 HG2 LYS 55 2HG LYS 55 -17.490 5.404 8.268
475 HG3 LYS 55 3HG LYS 55 -16.789 3.871 7.768
476 HD2 LYS 55 2HD LYS 55 -15.075 5.172 8.784
477 HD3 LYS 55 3HD LYS 55 -14.722 5.058 7.050
478 HE2 LYS 55 2HE LYS 55 -15.621 7.338 6.702
479 HE3 LYS 55 3HE LYS 55 -16.094 7.431 8.404
480 HZ1 LYS 55 3HZ LYS 55 -13.292 7.199 7.434
481 HZ2 LYS 55 1HZ LYS 55 -13.740 7.292 9.005
482 HZ3 LYS 55 2HZ LYS 55 -13.984 8.560 8.011
483 H TRP 56 H TRP 56 -18.368 3.823 3.473
484 HA TRP 56 HA TRP 56 -19.414 5.967 1.985
485 HB2 TRP 56 2HB TRP 56 -18.148 4.470 0.758
486 HB3 TRP 56 3HB TRP 56 -18.860 3.064 1.520
487 HD1 TRP 56 1HD TRP 56 -20.265 5.776 -0.862
488 HE1 TRP 56 1HE TRP 56 -21.748 4.585 -2.650
489 HE3 TRP 56 3HE TRP 56 -19.811 0.950 0.742
490 HZ2 TRP 56 2HZ TRP 56 -22.563 1.939 -3.288
491 HZ3 TRP 56 3HZ TRP 56 -20.961 -0.898 -0.461
492 HH2 TRP 56 2HH TRP 56 -22.334 -0.418 -2.479
493 H ARG 57 H ARG 57 -21.119 3.039 3.047
494 HA ARG 57 HA ARG 57 -23.555 3.457 1.707
495 HB2 ARG 57 2HB ARG 57 -22.738 1.968 4.227
496 HB3 ARG 57 3HB ARG 57 -24.413 1.893 3.631
497 HG2 ARG 57 2HG ARG 57 -23.643 0.956 1.488
498 HG3 ARG 57 3HG ARG 57 -21.962 1.157 1.989
499 HD2 ARG 57 2HD ARG 57 -22.499 -1.137 2.305
500 HD3 ARG 57 3HD ARG 57 -22.348 -0.379 3.902
501 HE ARG 57 HE ARG 57 -25.093 -0.324 3.030
502 HH11 ARG 57 2HH1 ARG 57 -22.769 -2.661 4.219
503 HH12 ARG 57 1HH1 ARG 57 -24.009 -3.696 4.874
504 HH21 ARG 57 2HH2 ARG 57 -26.622 -1.684 3.894
505 HH22 ARG 57 1HH2 ARG 57 -26.132 -3.153 4.685
506 H LYS 58 H LYS 58 -22.539 5.069 4.622
507 HA LYS 58 HA LYS 58 -25.215 6.007 5.417
508 HB2 LYS 58 2HB LYS 58 -22.386 6.814 6.209
509 HB3 LYS 58 3HB LYS 58 -23.793 7.719 6.734
510 HG2 LYS 58 2HG LYS 58 -23.146 6.232 8.477
511 HG3 LYS 58 3HG LYS 58 -24.733 5.757 7.863
512 HD2 LYS 58 2HD LYS 58 -23.794 3.853 6.696
513 HD3 LYS 58 3HD LYS 58 -22.137 4.433 6.998
514 HE2 LYS 58 2HE LYS 58 -22.442 4.110 9.413
515 HE3 LYS 58 3HE LYS 58 -24.116 3.592 9.165
516 HZ1 LYS 58 3HZ LYS 58 -23.326 1.667 7.979
517 HZ2 LYS 58 1HZ LYS 58 -22.486 1.726 9.380
518 HZ3 LYS 58 2HZ LYS 58 -21.781 2.202 7.970
519 H ARG 59 H ARG 59 -22.849 7.081 3.108
520 HA ARG 59 HA ARG 59 -24.263 9.708 2.724
521 HB2 ARG 59 2HB ARG 59 -21.402 8.918 2.048
522 HB3 ARG 59 3HB ARG 59 -22.120 10.516 1.837
523 HG2 ARG 59 2HG ARG 59 -21.589 9.119 4.496
524 HG3 ARG 59 3HG ARG 59 -20.675 10.455 3.795
525 HD2 ARG 59 2HD ARG 59 -22.701 11.898 3.909
526 HD3 ARG 59 3HD ARG 59 -23.586 10.567 4.684
527 HE ARG 59 HE ARG 59 -21.198 11.048 6.159
528 HH11 ARG 59 2HH1 ARG 59 -24.264 12.646 5.589
529 HH12 ARG 59 1HH1 ARG 59 -24.218 13.481 7.118
530 HH21 ARG 59 2HH2 ARG 59 -21.203 12.143 8.095
531 HH22 ARG 59 1HH2 ARG 59 -22.526 13.198 8.494
532 H GLU 60 H GLU 60 -23.404 6.772 1.104
533 HA GLU 60 HA GLU 60 -23.748 5.958 -0.967
534 HB2 GLU 60 2HB GLU 60 -26.078 7.897 -1.077
535 HB3 GLU 60 3HB GLU 60 -25.826 6.493 -2.122
536 HG2 GLU 60 2HG GLU 60 -25.876 5.004 -0.123
537 HG3 GLU 60 3HG GLU 60 -26.225 6.400 0.899
538 H GLU 61 H GLU 61 -21.717 7.761 -0.822
539 HA GLU 61 HA GLU 61 -21.670 9.810 -2.803
540 HB2 GLU 61 2HB GLU 61 -19.493 8.145 -1.485
541 HB3 GLU 61 3HB GLU 61 -19.118 9.452 -2.598
542 HG2 GLU 61 2HG GLU 61 -20.806 9.852 -0.097
543 HG3 GLU 61 3HG GLU 61 -19.059 10.015 -0.116
544 H PHE 62 H PHE 62 -21.221 6.396 -3.170
545 HA PHE 62 HA PHE 62 -20.940 6.686 -6.121
546 HB2 PHE 62 2HB PHE 62 -18.819 5.889 -5.182
547 HB3 PHE 62 3HB PHE 62 -19.649 4.602 -4.321
548 HD1 PHE 62 2HD PHE 62 -18.824 5.883 -7.739
549 HD2 PHE 62 1HD PHE 62 -20.173 2.522 -5.393
550 HE1 PHE 62 2HE PHE 62 -18.590 4.401 -9.722
551 HE2 PHE 62 1HE PHE 62 -19.924 1.044 -7.373
552 HZ PHE 62 HZ PHE 62 -19.143 1.981 -9.541
553 H ILE 63 H ILE 63 -22.253 5.347 -7.336
554 HA ILE 63 HA ILE 63 -24.251 3.640 -5.933
555 HB ILE 63 HB ILE 63 -24.927 5.511 -8.238
556 HG12 ILE 63 2HG1 ILE 63 -26.325 6.600 -6.181
557 HG13 ILE 63 3HG1 ILE 63 -24.906 6.071 -5.285
558 HG21 ILE 63 1HG2 ILE 63 -26.389 3.542 -7.994
559 HG22 ILE 63 2HG2 ILE 63 -26.653 3.934 -6.277
560 HG23 ILE 63 3HG2 ILE 63 -27.250 5.011 -7.558
561 HD11 ILE 63 3HD1 ILE 63 -24.715 8.411 -6.036
562 HD12 ILE 63 1HD1 ILE 63 -24.931 7.911 -7.724
563 HD13 ILE 63 2HD1 ILE 63 -23.470 7.436 -6.834
564 H VAL 64 H VAL 64 -24.588 1.703 -6.853
565 HA VAL 64 HA VAL 64 -23.241 0.993 -9.404
566 HB VAL 64 HB VAL 64 -24.734 -0.763 -7.424
567 HG11 VAL 64 1HG1 VAL 64 -23.012 -1.477 -9.843
568 HG12 VAL 64 2HG1 VAL 64 -23.619 -2.632 -8.640
569 HG13 VAL 64 3HG1 VAL 64 -24.760 -1.768 -9.667
570 HG21 VAL 64 3HG2 VAL 64 -22.482 -1.592 -6.811
571 HG22 VAL 64 1HG2 VAL 64 -21.741 -0.410 -7.911
572 HG23 VAL 64 2HG2 VAL 64 -22.622 0.134 -6.465
573 H THR 65 H THR 65 -24.290 0.964 -11.279
574 HA THR 65 HA THR 65 -27.275 1.123 -11.328
575 HB THR 65 HB THR 65 -26.971 2.409 -13.420
576 HG1 THR 65 1HG THR 65 -24.892 3.110 -13.938
577 HG21 THR 65 1HG2 THR 65 -27.115 3.561 -11.204
578 HG22 THR 65 2HG2 THR 65 -26.172 4.466 -12.403
579 HG23 THR 65 3HG2 THR 65 -25.340 3.562 -11.117
580 H ASP 66 H ASP 66 -24.918 -1.053 -12.016
581 HA ASP 66 HA ASP 66 -25.740 -2.149 -14.559
582 HB2 ASP 66 2HB ASP 66 -23.495 -2.451 -13.616
583 HB3 ASP 66 3HB ASP 66 -24.158 -3.375 -12.273
Start of MODEL 19
1 H1 GLY -1 1H GLY -1 -17.102 -2.919 24.696
2 H2 GLY -1 2H GLY -1 -15.721 -3.635 25.209
3 H3 GLY -1 3H GLY -1 -15.945 -3.333 23.613
4 HA2 GLY -1 2HA GLY -1 -15.669 -1.283 25.714
5 HA3 GLY -1 3HA GLY -1 -14.399 -1.741 24.565
6 H SER 0 H SER 0 -15.692 0.889 24.985
7 HA SER 0 HA SER 0 -17.448 1.317 22.693
8 HB2 SER 0 2HB SER 0 -17.623 3.624 23.652
9 HB3 SER 0 3HB SER 0 -18.123 2.295 24.700
10 HG SER 0 HG SER 0 -16.892 3.680 25.892
11 H GLN 1 H GLN 1 -14.204 1.123 22.670
12 HA GLN 1 HA GLN 1 -12.549 1.827 21.293
13 HB2 GLN 1 2HB GLN 1 -14.224 0.520 19.924
14 HB3 GLN 1 3HB GLN 1 -14.772 2.052 19.242
15 HG2 GLN 1 2HG GLN 1 -12.435 2.465 18.400
16 HG3 GLN 1 3HG GLN 1 -11.931 0.926 19.104
17 HE21 GLN 1 2HE2 GLN 1 -12.954 -1.098 18.189
18 HE22 GLN 1 1HE2 GLN 1 -13.517 -1.039 16.524
19 H ARG 2 H ARG 2 -12.662 3.814 22.784
20 HA ARG 2 HA ARG 2 -13.576 6.323 21.612
21 HB2 ARG 2 2HB ARG 2 -12.093 5.804 24.214
22 HB3 ARG 2 3HB ARG 2 -12.938 7.293 23.770
23 HG2 ARG 2 2HG ARG 2 -15.086 6.027 23.632
24 HG3 ARG 2 3HG ARG 2 -14.251 4.573 24.181
25 HD2 ARG 2 2HD ARG 2 -14.564 7.173 25.724
26 HD3 ARG 2 3HD ARG 2 -15.429 5.675 26.039
27 HE ARG 2 HE ARG 2 -12.768 6.389 26.915
28 HH11 ARG 2 2HH1 ARG 2 -14.660 3.513 26.134
29 HH12 ARG 2 1HH1 ARG 2 -13.649 2.508 27.139
30 HH21 ARG 2 2HH2 ARG 2 -11.551 5.025 28.141
31 HH22 ARG 2 1HH2 ARG 2 -11.941 3.333 28.221
32 H ARG 3 H ARG 3 -10.958 4.823 20.647
33 HA ARG 3 HA ARG 3 -8.715 6.488 21.065
34 HB2 ARG 3 2HB ARG 3 -8.726 4.171 20.123
35 HB3 ARG 3 3HB ARG 3 -9.363 4.809 18.601
36 HG2 ARG 3 2HG ARG 3 -7.310 6.225 18.374
37 HG3 ARG 3 3HG ARG 3 -6.676 5.530 19.870
38 HD2 ARG 3 2HD ARG 3 -7.380 3.970 17.343
39 HD3 ARG 3 3HD ARG 3 -5.758 4.500 17.761
40 HE ARG 3 HE ARG 3 -7.296 2.291 18.979
41 HH11 ARG 3 2HH1 ARG 3 -4.432 4.281 19.371
42 HH12 ARG 3 1HH1 ARG 3 -3.684 3.140 20.452
43 HH21 ARG 3 2HH2 ARG 3 -6.273 0.883 20.351
44 HH22 ARG 3 1HH2 ARG 3 -4.700 1.269 20.982
45 H GLN 4 H GLN 4 -8.039 8.373 20.311
46 HA GLN 4 HA GLN 4 -9.856 9.964 18.612
47 HB2 GLN 4 2HB GLN 4 -7.481 10.731 20.351
48 HB3 GLN 4 3HB GLN 4 -8.517 11.873 19.502
49 HG2 GLN 4 2HG GLN 4 -9.436 9.975 21.707
50 HG3 GLN 4 3HG GLN 4 -9.103 11.689 21.888
51 HE21 GLN 4 2HE2 GLN 4 -11.594 9.445 21.280
52 HE22 GLN 4 1HE2 GLN 4 -12.771 10.602 20.654
53 H ARG 5 H ARG 5 -7.070 8.194 17.952
54 HA ARG 5 HA ARG 5 -6.334 9.899 15.600
55 HB2 ARG 5 2HB ARG 5 -4.441 8.469 17.517
56 HB3 ARG 5 3HB ARG 5 -3.966 9.213 15.987
57 HG2 ARG 5 2HG ARG 5 -4.741 11.431 16.816
58 HG3 ARG 5 3HG ARG 5 -5.192 10.691 18.358
59 HD2 ARG 5 2HD ARG 5 -3.052 11.745 18.654
60 HD3 ARG 5 3HD ARG 5 -2.841 10.002 18.730
61 HE ARG 5 HE ARG 5 -1.560 10.042 16.790
62 HH11 ARG 5 2HH1 ARG 5 -2.988 13.228 17.128
63 HH12 ARG 5 1HH1 ARG 5 -1.981 13.906 15.878
64 HH21 ARG 5 2HH2 ARG 5 -0.321 10.971 15.208
65 HH22 ARG 5 1HH2 ARG 5 -0.514 12.657 14.826
66 H THR 6 H THR 6 -5.453 8.864 13.828
67 HA THR 6 HA THR 6 -6.377 6.084 13.378
68 HB THR 6 HB THR 6 -7.087 7.659 11.738
69 HG1 THR 6 1HG THR 6 -6.436 6.564 9.989
70 HG21 THR 6 1HG2 THR 6 -4.148 8.309 11.292
71 HG22 THR 6 2HG2 THR 6 -5.429 9.424 11.808
72 HG23 THR 6 3HG2 THR 6 -5.456 8.750 10.176
73 H HIS 7 H HIS 7 -5.047 4.554 12.277
74 HA HIS 7 HA HIS 7 -2.225 4.496 13.213
75 HB2 HIS 7 2HB HIS 7 -3.981 2.326 12.013
76 HB3 HIS 7 3HB HIS 7 -2.333 2.112 12.598
77 HD2 HIS 7 2HD HIS 7 -5.895 2.164 13.812
78 HE1 HIS 7 1HE HIS 7 -3.495 1.957 17.333
79 HE2 HIS 7 2HE HIS 7 -5.865 1.757 16.416
80 H PHE 8 H PHE 8 -3.743 5.652 10.523
81 HA PHE 8 HA PHE 8 -1.577 4.890 8.594
82 HB2 PHE 8 2HB PHE 8 -4.359 5.995 8.147
83 HB3 PHE 8 3HB PHE 8 -3.165 5.700 6.888
84 HD1 PHE 8 1HD PHE 8 -5.356 4.026 9.409
85 HD2 PHE 8 2HD PHE 8 -2.800 3.511 5.975
86 HE1 PHE 8 1HE PHE 8 -6.148 1.687 9.172
87 HE2 PHE 8 2HE PHE 8 -3.635 1.189 5.710
88 HZ PHE 8 HZ PHE 8 -5.295 0.266 7.323
89 H THR 9 H THR 9 -0.882 6.610 7.104
90 HA THR 9 HA THR 9 -0.549 9.220 8.515
91 HB THR 9 HB THR 9 1.251 9.750 7.185
92 HG1 THR 9 1HG THR 9 1.834 8.547 5.351
93 HG21 THR 9 1HG2 THR 9 1.794 7.906 8.775
94 HG22 THR 9 2HG2 THR 9 2.844 7.940 7.344
95 HG23 THR 9 3HG2 THR 9 1.544 6.738 7.459
96 H SER 10 H SER 10 -0.898 11.221 7.415
97 HA SER 10 HA SER 10 -3.244 11.405 5.853
98 HB2 SER 10 2HB SER 10 -1.051 13.477 5.954
99 HB3 SER 10 3HB SER 10 -2.793 13.707 5.665
100 HG SER 10 HG SER 10 -2.196 14.220 7.830
101 H GLN 11 H GLN 11 -0.227 10.323 4.724
102 HA GLN 11 HA GLN 11 -0.818 11.092 1.907
103 HB2 GLN 11 2HB GLN 11 1.455 11.523 2.842
104 HB3 GLN 11 3HB GLN 11 1.667 9.776 3.057
105 HG2 GLN 11 2HG GLN 11 1.359 9.450 0.606
106 HG3 GLN 11 3HG GLN 11 1.091 11.183 0.407
107 HE21 GLN 11 2HE2 GLN 11 2.985 10.382 -1.207
108 HE22 GLN 11 1HE2 GLN 11 4.593 10.702 -0.569
109 H GLN 12 H GLN 12 -0.364 8.185 4.020
110 HA GLN 12 HA GLN 12 -0.652 6.180 1.999
111 HB2 GLN 12 2HB GLN 12 -1.408 6.217 4.947
112 HB3 GLN 12 3HB GLN 12 -1.473 4.766 3.930
113 HG2 GLN 12 2HG GLN 12 0.869 4.824 3.488
114 HG3 GLN 12 3HG GLN 12 1.081 6.344 4.347
115 HE21 GLN 12 2HE2 GLN 12 2.261 3.670 4.835
116 HE22 GLN 12 1HE2 GLN 12 1.878 3.293 6.512
117 H LEU 13 H LEU 13 -3.053 7.768 4.076
118 HA LEU 13 HA LEU 13 -5.434 6.532 3.242
119 HB2 LEU 13 2HB LEU 13 -4.858 9.414 4.042
120 HB3 LEU 13 3HB LEU 13 -6.474 8.716 3.954
121 HG LEU 13 HG LEU 13 -4.284 7.556 5.747
122 HD11 LEU 13 1HD1 LEU 13 -6.439 9.542 6.532
123 HD12 LEU 13 2HD1 LEU 13 -5.242 8.757 7.603
124 HD13 LEU 13 3HD1 LEU 13 -4.701 9.898 6.372
125 HD21 LEU 13 3HD2 LEU 13 -6.234 6.627 6.977
126 HD22 LEU 13 1HD2 LEU 13 -7.284 7.202 5.663
127 HD23 LEU 13 2HD2 LEU 13 -6.004 5.984 5.349
128 H GLN 14 H GLN 14 -3.586 8.995 1.505
129 HA GLN 14 HA GLN 14 -5.720 9.683 -0.361
130 HB2 GLN 14 2HB GLN 14 -2.748 10.072 -0.826
131 HB3 GLN 14 3HB GLN 14 -4.088 10.939 -1.564
132 HG2 GLN 14 2HG GLN 14 -3.128 11.086 1.299
133 HG3 GLN 14 3HG GLN 14 -2.959 12.338 0.083
134 HE21 GLN 14 2HE2 GLN 14 -4.221 12.422 2.754
135 HE22 GLN 14 1HE2 GLN 14 -5.880 12.978 2.467
136 H GLU 15 H GLU 15 -2.915 7.451 -0.415
137 HA GLU 15 HA GLU 15 -3.370 6.588 -3.160
138 HB2 GLU 15 2HB GLU 15 -1.836 5.159 -0.963
139 HB3 GLU 15 3HB GLU 15 -1.712 4.886 -2.698
140 HG2 GLU 15 2HG GLU 15 -0.798 7.307 -1.110
141 HG3 GLU 15 3HG GLU 15 0.202 6.157 -1.971
142 H LEU 16 H LEU 16 -4.429 5.449 0.011
143 HA LEU 16 HA LEU 16 -5.752 3.058 -0.877
144 HB2 LEU 16 2HB LEU 16 -6.059 4.899 1.519
145 HB3 LEU 16 3HB LEU 16 -7.019 3.440 1.323
146 HG LEU 16 HG LEU 16 -3.990 3.275 1.189
147 HD11 LEU 16 1HD1 LEU 16 -4.523 4.429 3.281
148 HD12 LEU 16 2HD1 LEU 16 -5.683 3.149 3.698
149 HD13 LEU 16 3HD1 LEU 16 -3.953 2.778 3.577
150 HD21 LEU 16 3HD2 LEU 16 -4.424 0.986 1.986
151 HD22 LEU 16 1HD2 LEU 16 -6.171 1.314 2.009
152 HD23 LEU 16 2HD2 LEU 16 -5.279 1.314 0.469
153 H GLU 17 H GLU 17 -7.146 6.371 -0.205
154 HA GLU 17 HA GLU 17 -9.640 5.508 -1.361
155 HB2 GLU 17 2HB GLU 17 -10.556 7.517 -0.919
156 HB3 GLU 17 3HB GLU 17 -9.400 7.262 0.390
157 HG2 GLU 17 2HG GLU 17 -7.876 8.901 -0.600
158 HG3 GLU 17 3HG GLU 17 -8.926 9.069 -2.010
159 H ALA 18 H ALA 18 -6.820 6.810 -2.927
160 HA ALA 18 HA ALA 18 -8.190 7.406 -5.428
161 HB1 ALA 18 1HB ALA 18 -5.908 7.512 -6.353
162 HB2 ALA 18 2HB ALA 18 -6.057 8.464 -4.866
163 HB3 ALA 18 3HB ALA 18 -5.250 6.878 -4.829
164 H THR 19 H THR 19 -6.246 4.547 -4.278
165 HA THR 19 HA THR 19 -6.722 3.106 -6.718
166 HB THR 19 HB THR 19 -4.852 2.775 -5.020
167 HG1 THR 19 1HG THR 19 -6.043 0.390 -5.901
168 HG21 THR 19 1HG2 THR 19 -6.618 0.575 -3.917
169 HG22 THR 19 2HG2 THR 19 -6.504 2.155 -3.103
170 HG23 THR 19 3HG2 THR 19 -5.058 1.191 -3.310
171 H PHE 20 H PHE 20 -8.579 3.384 -3.782
172 HA PHE 20 HA PHE 20 -10.515 1.347 -4.115
173 HB2 PHE 20 2HB PHE 20 -10.305 2.637 -2.093
174 HB3 PHE 20 3HB PHE 20 -10.597 4.136 -2.954
175 HD1 PHE 20 2HD PHE 20 -12.534 0.878 -2.836
176 HD2 PHE 20 1HD PHE 20 -12.505 5.123 -2.091
177 HE1 PHE 20 2HE PHE 20 -14.915 0.774 -2.169
178 HE2 PHE 20 1HE PHE 20 -14.900 5.019 -1.444
179 HZ PHE 20 HZ PHE 20 -16.107 2.844 -1.473
180 H GLN 21 H GLN 21 -10.145 4.389 -5.937
181 HA GLN 21 HA GLN 21 -12.831 4.331 -7.009
182 HB2 GLN 21 2HB GLN 21 -10.361 5.686 -8.157
183 HB3 GLN 21 3HB GLN 21 -12.038 6.035 -8.582
184 HG2 GLN 21 2HG GLN 21 -10.550 6.676 -6.038
185 HG3 GLN 21 3HG GLN 21 -11.299 7.794 -7.159
186 HE21 GLN 21 2HE2 GLN 21 -11.648 6.690 -4.133
187 HE22 GLN 21 1HE2 GLN 21 -13.416 6.704 -4.000
188 H ARG 22 H ARG 22 -9.722 3.075 -8.154
189 HA ARG 22 HA ARG 22 -10.908 2.046 -10.675
190 HB2 ARG 22 2HB ARG 22 -8.644 1.317 -11.224
191 HB3 ARG 22 3HB ARG 22 -8.704 3.040 -10.829
192 HG2 ARG 22 2HG ARG 22 -7.786 2.594 -8.600
193 HG3 ARG 22 3HG ARG 22 -7.793 0.846 -8.908
194 HD2 ARG 22 2HD ARG 22 -6.175 1.185 -10.753
195 HD3 ARG 22 3HD ARG 22 -6.149 2.927 -10.391
196 HE ARG 22 HE ARG 22 -5.604 1.425 -8.001
197 HH11 ARG 22 2HH2 ARG 22 -3.907 2.271 -10.950
198 HH12 ARG 22 1HH2 ARG 22 -2.352 2.139 -10.172
199 HH21 ARG 22 2HH1 ARG 22 -3.714 1.292 -7.102
200 HH22 ARG 22 1HH1 ARG 22 -2.234 1.574 -8.005
201 H ASN 23 H ASN 23 -10.099 0.818 -7.517
202 HA ASN 23 HA ASN 23 -11.173 -1.856 -8.288
203 HB2 ASN 23 2HB ASN 23 -8.631 -1.820 -8.271
204 HB3 ASN 23 3HB ASN 23 -8.693 -1.398 -6.563
205 HD21 ASN 23 1HD2 ASN 23 -7.388 -3.695 -7.342
206 HD22 ASN 23 2HD2 ASN 23 -8.337 -5.100 -6.884
207 H HIS 24 H HIS 24 -13.099 -1.741 -7.221
208 HA HIS 24 HA HIS 24 -13.353 -0.401 -4.630
209 HB2 HIS 24 2HB HIS 24 -15.280 -1.867 -6.456
210 HB3 HIS 24 3HB HIS 24 -15.744 -1.283 -4.865
211 HD2 HIS 24 2HD HIS 24 -13.925 0.471 -7.899
212 HE1 HIS 24 1HE HIS 24 -17.010 3.048 -6.493
213 HE2 HIS 24 2HE HIS 24 -15.135 2.771 -8.204
214 H TYR 25 H TYR 25 -12.379 -3.541 -5.503
215 HA TYR 25 HA TYR 25 -12.762 -4.592 -2.786
216 HB2 TYR 25 2HB TYR 25 -13.878 -6.686 -3.734
217 HB3 TYR 25 3HB TYR 25 -14.837 -5.249 -3.519
218 HD1 TYR 25 1HD TYR 25 -13.357 -7.503 -6.075
219 HD2 TYR 25 2HD TYR 25 -15.835 -4.046 -5.355
220 HE1 TYR 25 1HE TYR 25 -14.154 -7.579 -8.431
221 HE2 TYR 25 2HE TYR 25 -16.625 -4.120 -7.712
222 HH TYR 25 HH TYR 25 -16.501 -5.200 -9.731
223 HA PRO 26 HA PRO 26 -8.847 -5.884 -4.980
224 HB2 PRO 26 2HB PRO 26 -7.007 -5.046 -3.153
225 HB3 PRO 26 3HB PRO 26 -7.712 -3.968 -4.382
226 HG2 PRO 26 2HG PRO 26 -8.629 -4.327 -1.511
227 HG3 PRO 26 3HG PRO 26 -8.248 -2.794 -2.363
228 HD2 PRO 26 2HD PRO 26 -10.798 -3.697 -2.151
229 HD3 PRO 26 3HD PRO 26 -10.229 -2.939 -3.670
230 H ASP 27 H ASP 27 -7.385 -7.507 -4.415
231 HA ASP 27 HA ASP 27 -8.414 -9.461 -2.388
232 HB2 ASP 27 2HB ASP 27 -8.826 -10.000 -4.840
233 HB3 ASP 27 3HB ASP 27 -7.081 -10.078 -5.047
234 H MET 28 H MET 28 -6.520 -11.198 -1.984
235 HA MET 28 HA MET 28 -4.480 -9.885 -0.559
236 HB2 MET 28 2HB MET 28 -3.287 -11.993 -0.474
237 HB3 MET 28 3HB MET 28 -5.009 -12.234 -0.196
238 HG2 MET 28 2HG MET 28 -5.329 -13.131 -2.417
239 HG3 MET 28 3HG MET 28 -3.700 -12.701 -2.909
240 HE1 MET 28 3HE MET 28 -1.634 -13.927 -2.622
241 HE2 MET 28 1HE MET 28 -1.637 -13.591 -0.878
242 HE3 MET 28 2HE MET 28 -1.348 -15.244 -1.459
243 H SER 29 H SER 29 -4.394 -10.774 -4.006
244 HA SER 29 HA SER 29 -1.576 -10.166 -4.316
245 HB2 SER 29 2HB SER 29 -3.738 -10.415 -6.441
246 HB3 SER 29 3HB SER 29 -1.983 -10.435 -6.709
247 HG SER 29 HG SER 29 -2.863 -12.557 -6.604
248 H THR 30 H THR 30 -4.604 -8.336 -4.956
249 HA THR 30 HA THR 30 -3.137 -6.045 -6.054
250 HB THR 30 HB THR 30 -5.592 -5.033 -5.783
251 HG1 THR 30 1HG THR 30 -6.292 -7.608 -6.496
252 HG21 THR 30 1HG2 THR 30 -6.058 -5.869 -8.084
253 HG22 THR 30 2HG2 THR 30 -4.705 -7.016 -7.926
254 HG23 THR 30 3HG2 THR 30 -4.401 -5.267 -7.909
255 H ARG 31 H ARG 31 -4.693 -6.848 -2.950
256 HA ARG 31 HA ARG 31 -4.322 -4.326 -1.685
257 HB2 ARG 31 2HB ARG 31 -4.342 -7.185 -0.629
258 HB3 ARG 31 3HB ARG 31 -4.237 -5.768 0.426
259 HG2 ARG 31 2HG ARG 31 -6.378 -4.909 -0.617
260 HG3 ARG 31 3HG ARG 31 -6.562 -6.470 -1.409
261 HD2 ARG 31 2HD ARG 31 -6.367 -5.991 1.572
262 HD3 ARG 31 3HD ARG 31 -7.863 -6.289 0.687
263 HE ARG 31 HE ARG 31 -5.711 -8.255 1.345
264 HH11 ARG 31 1HH1 ARG 31 -8.839 -7.943 -0.306
265 HH12 ARG 31 2HH1 ARG 31 -9.224 -9.594 0.083
266 HH21 ARG 31 2HH2 ARG 31 -6.168 -10.220 1.553
267 HH22 ARG 31 1HH2 ARG 31 -7.690 -10.931 1.000
268 H GLU 32 H GLU 32 -2.093 -7.143 -1.903
269 HA GLU 32 HA GLU 32 0.105 -5.859 -0.555
270 HB2 GLU 32 2HB GLU 32 -0.001 -8.074 -2.648
271 HB3 GLU 32 3HB GLU 32 1.515 -7.433 -2.016
272 HG2 GLU 32 2HG GLU 32 0.739 -7.953 0.308
273 HG3 GLU 32 3HG GLU 32 -0.657 -8.775 -0.379
274 H GLU 33 H GLU 33 -0.821 -5.919 -4.023
275 HA GLU 33 HA GLU 33 1.404 -4.540 -5.023
276 HB2 GLU 33 2HB GLU 33 -0.221 -5.700 -6.420
277 HB3 GLU 33 3HB GLU 33 -1.461 -4.496 -6.052
278 HG2 GLU 33 2HG GLU 33 -0.271 -2.765 -7.226
279 HG3 GLU 33 3HG GLU 33 1.159 -3.774 -7.386
280 H ILE 34 H ILE 34 -1.432 -3.039 -3.427
281 HA ILE 34 HA ILE 34 -0.297 -0.356 -3.951
282 HB ILE 34 HB ILE 34 -2.193 0.615 -3.210
283 HG12 ILE 34 2HG1 ILE 34 -4.035 -0.845 -1.959
284 HG13 ILE 34 3HG1 ILE 34 -2.625 -1.733 -1.395
285 HG21 ILE 34 1HG2 ILE 34 -4.016 -0.419 -4.353
286 HG22 ILE 34 2HG2 ILE 34 -2.549 -0.913 -5.218
287 HG23 ILE 34 3HG2 ILE 34 -3.366 -2.030 -4.099
288 HD11 ILE 34 3HD1 ILE 34 -3.147 1.268 -1.071
289 HD12 ILE 34 1HD1 ILE 34 -1.712 0.430 -0.449
290 HD13 ILE 34 2HD1 ILE 34 -3.297 0.022 0.186
291 H ALA 35 H ALA 35 -0.299 -2.711 -1.336
292 HA ALA 35 HA ALA 35 0.470 -0.911 0.766
293 HB1 ALA 35 1HB ALA 35 -0.666 -3.063 1.142
294 HB2 ALA 35 2HB ALA 35 0.743 -3.932 0.492
295 HB3 ALA 35 3HB ALA 35 0.879 -3.011 1.993
296 H VAL 36 H VAL 36 2.209 -2.716 -1.617
297 HA VAL 36 HA VAL 36 4.746 -3.043 -0.518
298 HB VAL 36 HB VAL 36 3.466 -3.058 -3.223
299 HG11 VAL 36 1HG1 VAL 36 5.501 -1.972 -3.920
300 HG12 VAL 36 2HG1 VAL 36 6.486 -3.182 -3.049
301 HG13 VAL 36 3HG1 VAL 36 5.475 -3.653 -4.439
302 HG21 VAL 36 3HG2 VAL 36 4.174 -5.348 -3.228
303 HG22 VAL 36 1HG2 VAL 36 5.307 -5.075 -1.878
304 HG23 VAL 36 2HG2 VAL 36 3.556 -5.005 -1.607
305 H TRP 37 H TRP 37 3.525 -0.138 -2.112
306 HA TRP 37 HA TRP 37 6.173 1.172 -1.685
307 HB2 TRP 37 2HB TRP 37 5.423 2.718 -3.526
308 HB3 TRP 37 3HB TRP 37 5.831 1.082 -3.985
309 HD1 TRP 37 1HD TRP 37 3.877 -0.569 -4.699
310 HE1 TRP 37 1HE TRP 37 1.495 -0.250 -5.444
311 HE3 TRP 37 3HE TRP 37 3.399 4.375 -3.541
312 HZ2 TRP 37 2HZ TRP 37 -0.431 1.960 -5.635
313 HZ3 TRP 37 3HZ TRP 37 1.277 5.588 -4.049
314 HH2 TRP 37 2HH TRP 37 -0.643 4.388 -5.063
315 H THR 38 H THR 38 3.408 0.942 -0.097
316 HA THR 38 HA THR 38 3.339 3.835 0.702
317 HB THR 38 HB THR 38 1.017 3.445 1.449
318 HG1 THR 38 1HG THR 38 0.859 1.179 -0.114
319 HG21 THR 38 1HG2 THR 38 0.007 3.319 -0.811
320 HG22 THR 38 2HG2 THR 38 1.542 2.722 -1.482
321 HG23 THR 38 3HG2 THR 38 1.446 4.361 -0.815
322 H ASN 39 H ASN 39 4.762 1.153 1.742
323 HA ASN 39 HA ASN 39 5.478 0.311 3.700
324 HB2 ASN 39 2HB ASN 39 6.111 2.838 3.838
325 HB3 ASN 39 3HB ASN 39 4.874 2.921 5.085
326 HD21 ASN 39 1HD2 ASN 39 5.154 1.137 6.859
327 HD22 ASN 39 2HD2 ASN 39 6.823 0.887 7.393
328 H LEU 40 H LEU 40 2.935 -0.389 3.061
329 HA LEU 40 HA LEU 40 1.632 -0.878 5.721
330 HB2 LEU 40 2HB LEU 40 0.417 -0.657 2.937
331 HB3 LEU 40 3HB LEU 40 -0.476 -1.183 4.349
332 HG LEU 40 HG LEU 40 0.735 1.586 3.969
333 HD11 LEU 40 1HD1 LEU 40 -1.189 1.127 2.501
334 HD12 LEU 40 2HD1 LEU 40 -2.148 0.596 3.899
335 HD13 LEU 40 3HD1 LEU 40 -1.609 2.288 3.766
336 HD21 LEU 40 3HD2 LEU 40 -0.640 2.149 5.974
337 HD22 LEU 40 1HD2 LEU 40 -1.035 0.434 6.169
338 HD23 LEU 40 2HD2 LEU 40 0.644 0.995 6.351
339 H THR 41 H THR 41 0.134 -2.910 5.402
340 HA THR 41 HA THR 41 1.403 -5.053 3.787
341 HB THR 41 HB THR 41 2.205 -5.408 6.076
342 HG1 THR 41 1HG THR 41 1.561 -7.530 6.158
343 HG21 THR 41 1HG2 THR 41 0.644 -6.131 7.852
344 HG22 THR 41 2HG2 THR 41 -0.740 -5.702 6.826
345 HG23 THR 41 3HG2 THR 41 0.376 -4.441 7.407
346 H GLU 42 H GLU 42 -0.225 -6.870 3.395
347 HA GLU 42 HA GLU 42 -2.479 -5.618 2.211
348 HB2 GLU 42 2HB GLU 42 -3.032 -7.667 1.312
349 HB3 GLU 42 3HB GLU 42 -1.295 -7.697 1.503
350 HG2 GLU 42 2HG GLU 42 -1.882 -9.817 2.155
351 HG3 GLU 42 3HG GLU 42 -1.744 -9.005 3.711
352 H ALA 43 H ALA 43 -2.213 -7.126 5.350
353 HA ALA 43 HA ALA 43 -4.995 -7.299 5.983
354 HB1 ALA 43 1HB ALA 43 -2.590 -6.922 7.823
355 HB2 ALA 43 2HB ALA 43 -4.207 -7.472 8.305
356 HB3 ALA 43 3HB ALA 43 -3.221 -8.474 7.224
357 H ARG 44 H ARG 44 -2.687 -4.568 6.324
358 HA ARG 44 HA ARG 44 -4.488 -2.708 7.642
359 HB2 ARG 44 2HB ARG 44 -2.149 -2.260 5.718
360 HB3 ARG 44 3HB ARG 44 -3.032 -0.963 6.465
361 HG2 ARG 44 2HG ARG 44 -1.491 -3.060 8.044
362 HG3 ARG 44 3HG ARG 44 -0.899 -1.455 7.597
363 HD2 ARG 44 2HD ARG 44 -3.240 -0.713 8.723
364 HD3 ARG 44 3HD ARG 44 -3.014 -2.238 9.570
365 HE ARG 44 HE ARG 44 -1.005 -1.381 10.577
366 HH11 ARG 44 2HH2 ARG 44 -2.614 1.148 8.681
367 HH12 ARG 44 1HH2 ARG 44 -1.684 2.387 9.494
368 HH21 ARG 44 2HH1 ARG 44 0.109 0.346 11.492
369 HH22 ARG 44 1HH1 ARG 44 -0.297 1.973 10.990
370 H VAL 45 H VAL 45 -3.794 -3.382 4.220
371 HA VAL 45 HA VAL 45 -5.655 -1.459 3.174
372 HB VAL 45 HB VAL 45 -4.779 -4.017 1.791
373 HG11 VAL 45 1HG1 VAL 45 -5.613 -1.284 0.730
374 HG12 VAL 45 2HG1 VAL 45 -5.055 -2.647 -0.257
375 HG13 VAL 45 3HG1 VAL 45 -6.577 -2.773 0.632
376 HG21 VAL 45 3HG2 VAL 45 -3.338 -1.347 2.042
377 HG22 VAL 45 1HG2 VAL 45 -2.737 -2.948 2.513
378 HG23 VAL 45 2HG2 VAL 45 -2.957 -2.573 0.812
379 H ARG 46 H ARG 46 -6.039 -4.972 3.867
380 HA ARG 46 HA ARG 46 -8.748 -5.258 3.077
381 HB2 ARG 46 2HB ARG 46 -7.012 -7.037 3.742
382 HB3 ARG 46 3HB ARG 46 -7.375 -6.641 5.423
383 HG2 ARG 46 2HG ARG 46 -9.848 -7.147 4.798
384 HG3 ARG 46 3HG ARG 46 -9.197 -7.862 3.318
385 HD2 ARG 46 2HD ARG 46 -8.512 -8.648 6.184
386 HD3 ARG 46 3HD ARG 46 -9.589 -9.529 5.102
387 HE ARG 46 HE ARG 46 -6.658 -9.155 4.499
388 HH11 ARG 46 2HH2 ARG 46 -9.331 -11.415 4.841
389 HH12 ARG 46 1HH2 ARG 46 -8.311 -12.776 4.465
390 HH21 ARG 46 1HH1 ARG 46 -5.451 -10.884 4.121
391 HH22 ARG 46 2HH1 ARG 46 -6.163 -12.487 4.048
392 H VAL 47 H VAL 47 -7.443 -4.369 6.287
393 HA VAL 47 HA VAL 47 -9.948 -3.934 7.609
394 HB VAL 47 HB VAL 47 -7.134 -2.896 8.093
395 HG11 VAL 47 1HG1 VAL 47 -9.580 -2.487 9.861
396 HG12 VAL 47 2HG1 VAL 47 -7.892 -2.251 10.374
397 HG13 VAL 47 3HG1 VAL 47 -8.570 -1.220 9.117
398 HG21 VAL 47 3HG2 VAL 47 -8.857 -4.887 9.631
399 HG22 VAL 47 1HG2 VAL 47 -7.626 -5.346 8.441
400 HG23 VAL 47 2HG2 VAL 47 -7.138 -4.502 9.911
401 H TRP 48 H TRP 48 -7.798 -1.595 5.891
402 HA TRP 48 HA TRP 48 -9.418 0.683 6.388
403 HB2 TRP 48 2HB TRP 48 -7.045 0.651 5.564
404 HB3 TRP 48 3HB TRP 48 -7.652 0.192 3.972
405 HD1 TRP 48 1HD TRP 48 -7.266 3.109 6.329
406 HE1 TRP 48 1HE TRP 48 -7.973 5.298 5.195
407 HE3 TRP 48 3HE TRP 48 -9.399 1.187 2.083
408 HZ2 TRP 48 2HZ TRP 48 -9.204 6.116 2.718
409 HZ3 TRP 48 3HZ TRP 48 -10.402 2.687 0.391
410 HH2 TRP 48 2HH TRP 48 -10.355 5.142 0.716
411 H PHE 49 H PHE 49 -9.426 -1.513 3.514
412 HA PHE 49 HA PHE 49 -11.589 -0.156 2.186
413 HB2 PHE 49 2HB PHE 49 -10.223 -2.833 1.909
414 HB3 PHE 49 3HB PHE 49 -11.755 -2.575 1.109
415 HD1 PHE 49 1HD PHE 49 -8.336 -0.967 1.397
416 HD2 PHE 49 2HD PHE 49 -11.895 -1.535 -0.978
417 HE1 PHE 49 1HE PHE 49 -7.251 0.185 -0.508
418 HE2 PHE 49 2HE PHE 49 -10.785 -0.425 -2.866
419 HZ PHE 49 HZ PHE 49 -8.490 0.480 -2.640
420 H LYS 50 H LYS 50 -11.576 -2.710 4.655
421 HA LYS 50 HA LYS 50 -14.423 -3.281 4.520
422 HB2 LYS 50 2HB LYS 50 -12.776 -4.799 5.570
423 HB3 LYS 50 3HB LYS 50 -12.480 -3.603 6.841
424 HG2 LYS 50 2HG LYS 50 -14.860 -3.787 7.562
425 HG3 LYS 50 3HG LYS 50 -15.168 -4.919 6.242
426 HD2 LYS 50 2HD LYS 50 -14.930 -6.167 8.275
427 HD3 LYS 50 3HD LYS 50 -13.522 -6.512 7.259
428 HE2 LYS 50 2HE LYS 50 -12.162 -4.918 8.586
429 HE3 LYS 50 3HE LYS 50 -13.583 -4.482 9.545
430 HZ1 LYS 50 3HZ LYS 50 -12.355 -7.191 9.466
431 HZ2 LYS 50 1HZ LYS 50 -13.666 -6.780 10.350
432 HZ3 LYS 50 2HZ LYS 50 -12.215 -6.126 10.696
433 H ASN 51 H ASN 51 -12.518 -1.019 6.558
434 HA ASN 51 HA ASN 51 -14.840 0.132 7.815
435 HB2 ASN 51 2HB ASN 51 -12.022 1.208 7.360
436 HB3 ASN 51 3HB ASN 51 -13.219 1.961 8.414
437 HD21 ASN 51 1HD2 ASN 51 -10.604 0.926 9.169
438 HD22 ASN 51 2HD2 ASN 51 -10.925 -0.322 10.365
439 H ARG 52 H ARG 52 -13.054 1.056 4.842
440 HA ARG 52 HA ARG 52 -14.499 3.444 4.374
441 HB2 ARG 52 2HB ARG 52 -12.309 2.598 3.256
442 HB3 ARG 52 3HB ARG 52 -13.351 1.625 2.221
443 HG2 ARG 52 2HG ARG 52 -12.768 3.623 1.023
444 HG3 ARG 52 3HG ARG 52 -14.485 3.695 1.401
445 HD2 ARG 52 2HD ARG 52 -13.998 5.235 3.301
446 HD3 ARG 52 3HD ARG 52 -12.271 5.110 2.943
447 HE ARG 52 HE ARG 52 -14.212 6.132 0.899
448 HH11 ARG 52 1HH2 ARG 52 -11.399 6.911 2.899
449 HH12 ARG 52 2HH2 ARG 52 -11.076 8.340 1.904
450 HH21 ARG 52 2HH1 ARG 52 -13.678 8.079 -0.155
451 HH22 ARG 52 1HH1 ARG 52 -12.231 8.924 0.399
452 H ARG 53 H ARG 53 -15.258 0.135 3.184
453 HA ARG 53 HA ARG 53 -17.575 1.090 1.723
454 HB2 ARG 53 2HB ARG 53 -18.182 -1.158 1.321
455 HB3 ARG 53 3HB ARG 53 -16.443 -0.983 1.119
456 HG2 ARG 53 2HG ARG 53 -16.101 -2.040 3.357
457 HG3 ARG 53 3HG ARG 53 -17.855 -2.250 3.521
458 HD2 ARG 53 2HD ARG 53 -17.915 -3.648 1.521
459 HD3 ARG 53 3HD ARG 53 -16.208 -3.351 1.210
460 HE ARG 53 HE ARG 53 -17.372 -5.030 3.391
461 HH11 ARG 53 2HH1 ARG 53 -14.460 -4.044 1.712
462 HH12 ARG 53 1HH1 ARG 53 -13.538 -5.384 2.339
463 HH21 ARG 53 2HH2 ARG 53 -16.143 -6.714 4.142
464 HH22 ARG 53 1HH2 ARG 53 -14.472 -6.845 3.688
465 H ALA 54 H ALA 54 -17.156 0.019 5.052
466 HA ALA 54 HA ALA 54 -19.959 0.072 5.741
467 HB1 ALA 54 1HB ALA 54 -19.138 0.138 8.054
468 HB2 ALA 54 2HB ALA 54 -18.245 -1.064 7.103
469 HB3 ALA 54 3HB ALA 54 -17.496 0.501 7.490
470 H LYS 55 H LYS 55 -17.397 2.592 5.900
471 HA LYS 55 HA LYS 55 -19.074 4.716 6.898
472 HB2 LYS 55 2HB LYS 55 -16.402 4.647 5.451
473 HB3 LYS 55 3HB LYS 55 -17.160 6.155 5.974
474 HG2 LYS 55 2HG LYS 55 -17.140 5.477 8.288
475 HG3 LYS 55 3HG LYS 55 -16.553 3.859 7.881
476 HD2 LYS 55 2HD LYS 55 -14.484 4.869 6.912
477 HD3 LYS 55 3HD LYS 55 -15.031 6.472 7.419
478 HE2 LYS 55 2HE LYS 55 -14.571 4.101 9.285
479 HE3 LYS 55 3HE LYS 55 -13.362 5.346 8.948
480 HZ1 LYS 55 3HZ LYS 55 -14.557 5.854 10.984
481 HZ2 LYS 55 1HZ LYS 55 -16.000 5.845 10.228
482 HZ3 LYS 55 2HZ LYS 55 -14.897 7.002 9.878
483 H TRP 56 H TRP 56 -18.355 3.635 3.612
484 HA TRP 56 HA TRP 56 -19.586 5.828 2.202
485 HB2 TRP 56 2HB TRP 56 -18.190 4.522 0.878
486 HB3 TRP 56 3HB TRP 56 -18.771 3.015 1.568
487 HD1 TRP 56 1HD TRP 56 -20.505 5.790 -0.509
488 HE1 TRP 56 1HE TRP 56 -21.998 4.644 -2.316
489 HE3 TRP 56 3HE TRP 56 -19.556 0.904 0.610
490 HZ2 TRP 56 2HZ TRP 56 -22.651 1.994 -3.135
491 HZ3 TRP 56 3HZ TRP 56 -20.621 -0.923 -0.690
492 HH2 TRP 56 2HH TRP 56 -22.171 -0.394 -2.567
493 H ARG 57 H ARG 57 -20.877 2.604 3.109
494 HA ARG 57 HA ARG 57 -23.473 2.949 2.061
495 HB2 ARG 57 2HB ARG 57 -22.330 1.255 4.310
496 HB3 ARG 57 3HB ARG 57 -24.044 1.149 3.869
497 HG2 ARG 57 2HG ARG 57 -23.514 0.514 1.588
498 HG3 ARG 57 3HG ARG 57 -21.784 0.745 1.878
499 HD2 ARG 57 2HD ARG 57 -21.764 -1.057 3.527
500 HD3 ARG 57 3HD ARG 57 -23.518 -1.285 3.334
501 HE ARG 57 HE ARG 57 -22.444 -1.533 0.766
502 HH11 ARG 57 2HH1 ARG 57 -22.100 -3.314 3.762
503 HH12 ARG 57 1HH1 ARG 57 -21.752 -4.811 2.941
504 HH21 ARG 57 2HH2 ARG 57 -22.010 -3.484 -0.221
505 HH22 ARG 57 1HH2 ARG 57 -21.698 -4.894 0.746
506 H LYS 58 H LYS 58 -22.239 4.347 5.004
507 HA LYS 58 HA LYS 58 -24.784 4.974 6.244
508 HB2 LYS 58 2HB LYS 58 -22.289 6.688 6.489
509 HB3 LYS 58 3HB LYS 58 -23.614 6.508 7.623
510 HG2 LYS 58 2HG LYS 58 -21.277 4.702 7.127
511 HG3 LYS 58 3HG LYS 58 -21.854 5.402 8.629
512 HD2 LYS 58 2HD LYS 58 -23.891 3.835 8.406
513 HD3 LYS 58 3HD LYS 58 -22.975 3.032 7.098
514 HE2 LYS 58 2HE LYS 58 -21.102 2.614 8.640
515 HE3 LYS 58 3HE LYS 58 -21.977 3.419 9.951
516 HZ1 LYS 58 3HZ LYS 58 -22.245 1.009 10.067
517 HZ2 LYS 58 1HZ LYS 58 -22.883 0.949 8.565
518 HZ3 LYS 58 2HZ LYS 58 -23.695 1.695 9.773
519 H ARG 59 H ARG 59 -23.061 6.409 3.602
520 HA ARG 59 HA ARG 59 -24.843 8.834 3.509
521 HB2 ARG 59 2HB ARG 59 -22.082 8.339 2.337
522 HB3 ARG 59 3HB ARG 59 -22.994 9.852 2.257
523 HG2 ARG 59 2HG ARG 59 -22.775 10.156 4.687
524 HG3 ARG 59 3HG ARG 59 -21.921 8.596 4.826
525 HD2 ARG 59 2HD ARG 59 -20.192 9.389 3.258
526 HD3 ARG 59 3HD ARG 59 -21.010 10.961 3.136
527 HE ARG 59 HE ARG 59 -20.488 10.534 5.869
528 HH11 ARG 59 2HH1 ARG 59 -18.586 10.940 2.928
529 HH12 ARG 59 1HH1 ARG 59 -17.236 11.625 3.805
530 HH21 ARG 59 2HH2 ARG 59 -18.717 11.422 6.906
531 HH22 ARG 59 1HH2 ARG 59 -17.313 11.887 5.991
532 H GLU 60 H GLU 60 -23.600 6.143 1.642
533 HA GLU 60 HA GLU 60 -23.814 5.393 -0.453
534 HB2 GLU 60 2HB GLU 60 -26.571 6.654 -0.414
535 HB3 GLU 60 3HB GLU 60 -25.977 5.449 -1.564
536 HG2 GLU 60 2HG GLU 60 -25.583 3.860 0.321
537 HG3 GLU 60 3HG GLU 60 -26.276 5.034 1.441
538 H GLU 61 H GLU 61 -22.200 7.529 -0.293
539 HA GLU 61 HA GLU 61 -22.732 9.650 -2.153
540 HB2 GLU 61 2HB GLU 61 -20.106 8.480 -1.140
541 HB3 GLU 61 3HB GLU 61 -20.206 9.866 -2.227
542 HG2 GLU 61 2HG GLU 61 -21.675 11.026 -0.525
543 HG3 GLU 61 3HG GLU 61 -21.350 9.688 0.576
544 H PHE 62 H PHE 62 -20.998 6.561 -2.668
545 HA PHE 62 HA PHE 62 -21.076 6.920 -5.614
546 HB2 PHE 62 2HB PHE 62 -19.015 6.038 -4.713
547 HB3 PHE 62 3HB PHE 62 -19.868 4.779 -3.833
548 HD1 PHE 62 2HD PHE 62 -19.097 6.013 -7.289
549 HD2 PHE 62 1HD PHE 62 -20.379 2.685 -4.859
550 HE1 PHE 62 2HE PHE 62 -18.933 4.505 -9.259
551 HE2 PHE 62 1HE PHE 62 -20.201 1.182 -6.827
552 HZ PHE 62 HZ PHE 62 -19.486 2.090 -9.030
553 H ILE 63 H ILE 63 -22.434 5.793 -6.939
554 HA ILE 63 HA ILE 63 -24.419 3.889 -5.800
555 HB ILE 63 HB ILE 63 -25.130 6.355 -7.430
556 HG12 ILE 63 2HG1 ILE 63 -25.734 5.585 -4.537
557 HG13 ILE 63 3HG1 ILE 63 -24.705 6.911 -5.087
558 HG21 ILE 63 1HG2 ILE 63 -26.508 4.398 -8.095
559 HG22 ILE 63 2HG2 ILE 63 -26.926 4.111 -6.389
560 HG23 ILE 63 3HG2 ILE 63 -27.471 5.573 -7.240
561 HD11 ILE 63 3HD1 ILE 63 -26.711 7.983 -6.141
562 HD12 ILE 63 1HD1 ILE 63 -26.742 7.869 -4.369
563 HD13 ILE 63 2HD1 ILE 63 -27.714 6.748 -5.330
564 H VAL 64 H VAL 64 -24.792 2.199 -7.121
565 HA VAL 64 HA VAL 64 -23.667 2.157 -9.881
566 HB VAL 64 HB VAL 64 -24.894 -0.103 -8.265
567 HG11 VAL 64 1HG1 VAL 64 -23.830 -1.548 -9.994
568 HG12 VAL 64 2HG1 VAL 64 -25.082 -0.516 -10.680
569 HG13 VAL 64 3HG1 VAL 64 -23.365 -0.100 -10.910
570 HG21 VAL 64 3HG2 VAL 64 -22.755 0.613 -7.257
571 HG22 VAL 64 1HG2 VAL 64 -22.554 -0.935 -8.080
572 HG23 VAL 64 2HG2 VAL 64 -21.968 0.556 -8.851
573 H THR 65 H THR 65 -24.943 2.564 -11.571
574 HA THR 65 HA THR 65 -27.892 2.695 -11.187
575 HB THR 65 HB THR 65 -27.826 4.281 -13.092
576 HG1 THR 65 1HG THR 65 -25.809 5.013 -13.780
577 HG21 THR 65 1HG2 THR 65 -27.636 5.081 -10.733
578 HG22 THR 65 2HG2 THR 65 -26.807 6.137 -11.891
579 HG23 THR 65 3HG2 THR 65 -25.866 5.020 -10.877
580 H ASP 66 H ASP 66 -25.717 0.655 -12.634
581 HA ASP 66 HA ASP 66 -27.051 -0.026 -15.106
582 HB2 ASP 66 2HB ASP 66 -24.663 -0.429 -14.704
583 HB3 ASP 66 3HB ASP 66 -25.049 -1.572 -13.422
Start of MODEL 20
1 H1 GLY -1 1H GLY -1 5.359 -1.862 24.485
2 H2 GLY -1 2H GLY -1 4.734 -3.273 25.040
3 H3 GLY -1 3H GLY -1 5.001 -2.030 26.074
4 HA2 GLY -1 2HA GLY -1 3.033 -2.050 23.875
5 HA3 GLY -1 3HA GLY -1 2.651 -2.203 25.599
6 H SER 0 H SER 0 1.425 -0.349 25.786
7 HA SER 0 HA SER 0 0.870 1.834 25.990
8 HB2 SER 0 2HB SER 0 3.758 2.102 26.869
9 HB3 SER 0 3HB SER 0 2.416 3.187 27.283
10 HG SER 0 HG SER 0 2.817 1.634 28.930
11 H GLN 1 H GLN 1 1.319 1.357 23.313
12 HA GLN 1 HA GLN 1 3.064 3.253 22.077
13 HB2 GLN 1 2HB GLN 1 1.958 2.674 19.994
14 HB3 GLN 1 3HB GLN 1 2.369 1.245 20.937
15 HG2 GLN 1 2HG GLN 1 -0.025 1.078 21.686
16 HG3 GLN 1 3HG GLN 1 -0.414 2.483 20.689
17 HE21 GLN 1 2HE2 GLN 1 0.872 -0.898 20.485
18 HE22 GLN 1 1HE2 GLN 1 0.301 -1.128 18.839
19 H ARG 2 H ARG 2 2.778 5.235 21.176
20 HA ARG 2 HA ARG 2 0.636 6.902 22.316
21 HB2 ARG 2 2HB ARG 2 3.109 7.431 22.407
22 HB3 ARG 2 3HB ARG 2 3.044 7.775 20.675
23 HG2 ARG 2 2HG ARG 2 1.332 9.558 21.133
24 HG3 ARG 2 3HG ARG 2 1.411 9.163 22.860
25 HD2 ARG 2 2HD ARG 2 3.847 9.753 22.851
26 HD3 ARG 2 3HD ARG 2 3.722 10.161 21.143
27 HE ARG 2 HE ARG 2 2.606 12.140 21.647
28 HH11 ARG 2 2HH1 ARG 2 2.932 10.339 24.641
29 HH12 ARG 2 1HH1 ARG 2 2.466 11.707 25.614
30 HH21 ARG 2 2HH2 ARG 2 2.022 13.834 22.951
31 HH22 ARG 2 1HH2 ARG 2 1.965 13.627 24.677
32 H ARG 3 H ARG 3 -0.818 5.516 20.867
33 HA ARG 3 HA ARG 3 -1.407 6.956 18.292
34 HB2 ARG 3 2HB ARG 3 -1.653 3.972 18.861
35 HB3 ARG 3 3HB ARG 3 -2.242 4.760 17.407
36 HG2 ARG 3 2HG ARG 3 0.702 4.639 18.217
37 HG3 ARG 3 3HG ARG 3 -0.107 3.517 17.140
38 HD2 ARG 3 2HD ARG 3 0.997 5.003 15.707
39 HD3 ARG 3 3HD ARG 3 -0.710 5.473 15.640
40 HE ARG 3 HE ARG 3 0.777 6.954 17.656
41 HH11 ARG 3 2HH1 ARG 3 0.220 7.008 14.196
42 HH12 ARG 3 1HH1 ARG 3 0.511 8.725 14.108
43 HH21 ARG 3 2HH2 ARG 3 1.070 9.044 17.506
44 HH22 ARG 3 1HH2 ARG 3 1.013 9.869 15.963
45 H GLN 4 H GLN 4 -3.475 7.352 17.780
46 HA GLN 4 HA GLN 4 -5.462 7.161 19.990
47 HB2 GLN 4 2HB GLN 4 -5.360 8.995 17.567
48 HB3 GLN 4 3HB GLN 4 -6.600 9.020 18.822
49 HG2 GLN 4 2HG GLN 4 -3.636 9.622 19.208
50 HG3 GLN 4 3HG GLN 4 -4.944 10.794 19.188
51 HE21 GLN 4 2HE2 GLN 4 -2.933 10.024 21.368
52 HE22 GLN 4 1HE2 GLN 4 -3.962 9.674 22.751
53 H ARG 5 H ARG 5 -5.279 4.811 19.072
54 HA ARG 5 HA ARG 5 -6.158 2.994 18.029
55 HB2 ARG 5 2HB ARG 5 -8.721 4.620 17.939
56 HB3 ARG 5 3HB ARG 5 -8.584 2.867 17.798
57 HG2 ARG 5 2HG ARG 5 -7.635 2.745 20.093
58 HG3 ARG 5 3HG ARG 5 -7.839 4.500 20.262
59 HD2 ARG 5 2HD ARG 5 -10.272 4.262 19.876
60 HD3 ARG 5 3HD ARG 5 -10.095 2.515 19.734
61 HE ARG 5 HE ARG 5 -9.993 4.157 22.182
62 HH11 ARG 5 1HH1 ARG 5 -9.356 0.946 20.916
63 HH12 ARG 5 2HH1 ARG 5 -9.401 0.220 22.499
64 HH21 ARG 5 2HH2 ARG 5 -10.032 3.164 24.160
65 HH22 ARG 5 1HH2 ARG 5 -9.772 1.448 24.282
66 H THR 6 H THR 6 -5.083 5.200 16.233
67 HA THR 6 HA THR 6 -5.841 3.949 13.639
68 HB THR 6 HB THR 6 -5.699 6.950 14.147
69 HG1 THR 6 1HG THR 6 -7.867 6.898 13.655
70 HG21 THR 6 1HG2 THR 6 -6.260 5.389 11.581
71 HG22 THR 6 2HG2 THR 6 -4.877 6.472 11.885
72 HG23 THR 6 3HG2 THR 6 -6.504 7.137 11.785
73 H HIS 7 H HIS 7 -4.146 3.622 12.311
74 HA HIS 7 HA HIS 7 -1.424 4.468 13.238
75 HB2 HIS 7 2HB HIS 7 -2.387 2.000 11.758
76 HB3 HIS 7 3HB HIS 7 -0.712 2.337 12.166
77 HD2 HIS 7 2HD HIS 7 -0.102 2.456 14.875
78 HE1 HIS 7 1HE HIS 7 -3.477 0.178 16.141
79 HE2 HIS 7 2HE HIS 7 -1.228 1.141 16.862
80 H PHE 8 H PHE 8 -3.533 4.841 10.525
81 HA PHE 8 HA PHE 8 -1.500 4.869 8.476
82 HB2 PHE 8 2HB PHE 8 -4.317 5.986 8.419
83 HB3 PHE 8 3HB PHE 8 -3.260 5.725 7.035
84 HD1 PHE 8 2HD PHE 8 -5.355 4.043 9.604
85 HD2 PHE 8 1HD PHE 8 -2.912 3.507 6.091
86 HE1 PHE 8 2HE PHE 8 -6.246 1.743 9.338
87 HE2 PHE 8 1HE PHE 8 -3.838 1.221 5.805
88 HZ PHE 8 HZ PHE 8 -5.486 0.328 7.443
89 H THR 9 H THR 9 -0.889 6.661 7.156
90 HA THR 9 HA THR 9 -0.641 9.245 8.632
91 HB THR 9 HB THR 9 1.209 9.808 7.379
92 HG1 THR 9 1HG THR 9 1.858 8.637 5.540
93 HG21 THR 9 1HG2 THR 9 1.697 7.919 8.942
94 HG22 THR 9 2HG2 THR 9 2.801 7.993 7.552
95 HG23 THR 9 3HG2 THR 9 1.494 6.790 7.587
96 H SER 10 H SER 10 -0.970 11.255 7.524
97 HA SER 10 HA SER 10 -3.278 11.421 5.910
98 HB2 SER 10 2HB SER 10 -1.102 13.510 6.063
99 HB3 SER 10 3HB SER 10 -2.837 13.728 5.728
100 HG SER 10 HG SER 10 -2.300 14.243 7.908
101 H GLN 11 H GLN 11 -0.175 10.433 4.841
102 HA GLN 11 HA GLN 11 -0.717 11.172 2.017
103 HB2 GLN 11 2HB GLN 11 1.498 11.620 2.971
104 HB3 GLN 11 3HB GLN 11 1.728 9.911 3.332
105 HG2 GLN 11 2HG GLN 11 1.055 10.688 0.494
106 HG3 GLN 11 3HG GLN 11 2.649 11.112 1.108
107 HE21 GLN 11 2HE2 GLN 11 0.565 8.369 0.196
108 HE22 GLN 11 1HE2 GLN 11 1.894 7.209 0.200
109 H GLN 12 H GLN 12 -0.347 8.262 4.135
110 HA GLN 12 HA GLN 12 -0.565 6.301 2.057
111 HB2 GLN 12 2HB GLN 12 -1.336 6.253 5.005
112 HB3 GLN 12 3HB GLN 12 -1.377 4.822 3.961
113 HG2 GLN 12 2HG GLN 12 0.981 4.961 3.513
114 HG3 GLN 12 3HG GLN 12 1.139 6.454 4.432
115 HE21 GLN 12 2HE2 GLN 12 2.357 3.730 4.813
116 HE22 GLN 12 1HE2 GLN 12 1.997 3.323 6.484
117 H LEU 13 H LEU 13 -3.004 7.861 4.096
118 HA LEU 13 HA LEU 13 -5.356 6.542 3.271
119 HB2 LEU 13 2HB LEU 13 -4.847 9.430 4.084
120 HB3 LEU 13 3HB LEU 13 -6.447 8.706 3.980
121 HG LEU 13 HG LEU 13 -4.255 7.582 5.796
122 HD11 LEU 13 1HD1 LEU 13 -5.281 8.767 7.636
123 HD12 LEU 13 2HD1 LEU 13 -4.740 9.918 6.410
124 HD13 LEU 13 3HD1 LEU 13 -6.471 9.521 6.537
125 HD21 LEU 13 3HD2 LEU 13 -6.169 6.592 7.001
126 HD22 LEU 13 1HD2 LEU 13 -7.247 7.170 5.709
127 HD23 LEU 13 2HD2 LEU 13 -5.949 5.976 5.364
128 H GLN 14 H GLN 14 -3.542 9.031 1.560
129 HA GLN 14 HA GLN 14 -5.635 9.746 -0.319
130 HB2 GLN 14 2HB GLN 14 -2.645 10.030 -0.758
131 HB3 GLN 14 3HB GLN 14 -3.941 10.920 -1.546
132 HG2 GLN 14 2HG GLN 14 -3.071 11.091 1.347
133 HG3 GLN 14 3HG GLN 14 -2.812 12.314 0.115
134 HE21 GLN 14 2HE2 GLN 14 -4.216 12.421 2.751
135 HE22 GLN 14 1HE2 GLN 14 -5.833 13.041 2.375
136 H GLU 15 H GLU 15 -2.913 7.424 -0.388
137 HA GLU 15 HA GLU 15 -3.418 6.585 -3.136
138 HB2 GLU 15 2HB GLU 15 -1.858 5.124 -0.979
139 HB3 GLU 15 3HB GLU 15 -1.755 4.885 -2.721
140 HG2 GLU 15 2HG GLU 15 -0.823 7.272 -1.094
141 HG3 GLU 15 3HG GLU 15 0.170 6.148 -1.998
142 H LEU 16 H LEU 16 -4.444 5.453 0.054
143 HA LEU 16 HA LEU 16 -5.763 3.050 -0.808
144 HB2 LEU 16 2HB LEU 16 -6.091 4.901 1.581
145 HB3 LEU 16 3HB LEU 16 -7.013 3.416 1.397
146 HG LEU 16 HG LEU 16 -3.978 3.342 1.273
147 HD11 LEU 16 1HD1 LEU 16 -4.540 4.474 3.355
148 HD12 LEU 16 2HD1 LEU 16 -5.684 3.178 3.767
149 HD13 LEU 16 3HD1 LEU 16 -3.946 2.834 3.662
150 HD21 LEU 16 3HD2 LEU 16 -5.181 1.348 0.533
151 HD22 LEU 16 1HD2 LEU 16 -4.333 1.041 2.056
152 HD23 LEU 16 2HD2 LEU 16 -6.093 1.304 2.063
153 H GLU 17 H GLU 17 -7.144 6.367 -0.159
154 HA GLU 17 HA GLU 17 -9.677 5.575 -1.259
155 HB2 GLU 17 2HB GLU 17 -10.417 7.770 -1.046
156 HB3 GLU 17 3HB GLU 17 -9.369 7.465 0.334
157 HG2 GLU 17 2HG GLU 17 -7.559 8.755 -0.763
158 HG3 GLU 17 3HG GLU 17 -8.578 9.015 -2.173
159 H ALA 18 H ALA 18 -6.807 6.834 -2.903
160 HA ALA 18 HA ALA 18 -8.216 7.405 -5.372
161 HB1 ALA 18 1HB ALA 18 -5.250 6.987 -4.816
162 HB2 ALA 18 2HB ALA 18 -5.946 7.655 -6.307
163 HB3 ALA 18 3HB ALA 18 -6.127 8.536 -4.782
164 H THR 19 H THR 19 -6.381 4.530 -4.211
165 HA THR 19 HA THR 19 -6.821 3.117 -6.729
166 HB THR 19 HB THR 19 -4.870 2.842 -5.096
167 HG1 THR 19 1HG THR 19 -6.202 0.589 -6.188
168 HG21 THR 19 1HG2 THR 19 -6.520 0.580 -3.967
169 HG22 THR 19 2HG2 THR 19 -6.481 2.166 -3.147
170 HG23 THR 19 3HG2 THR 19 -4.987 1.280 -3.376
171 H PHE 20 H PHE 20 -8.586 3.380 -3.705
172 HA PHE 20 HA PHE 20 -10.448 1.268 -4.088
173 HB2 PHE 20 2HB PHE 20 -10.214 2.451 -1.994
174 HB3 PHE 20 3HB PHE 20 -10.690 3.966 -2.740
175 HD1 PHE 20 1HD PHE 20 -12.256 0.512 -2.818
176 HD2 PHE 20 2HD PHE 20 -12.675 4.667 -1.745
177 HE1 PHE 20 1HE PHE 20 -14.594 0.092 -2.104
178 HE2 PHE 20 2HE PHE 20 -15.015 4.242 -1.034
179 HZ PHE 20 HZ PHE 20 -15.975 1.954 -1.205
180 H GLN 21 H GLN 21 -10.248 4.424 -5.724
181 HA GLN 21 HA GLN 21 -12.925 4.327 -6.779
182 HB2 GLN 21 2HB GLN 21 -10.497 5.727 -7.980
183 HB3 GLN 21 3HB GLN 21 -12.189 6.051 -8.359
184 HG2 GLN 21 2HG GLN 21 -10.629 6.755 -5.889
185 HG3 GLN 21 3HG GLN 21 -11.500 7.821 -6.967
186 HE21 GLN 21 2HE2 GLN 21 -11.633 6.473 -3.939
187 HE22 GLN 21 1HE2 GLN 21 -13.387 6.533 -3.695
188 H ARG 22 H ARG 22 -9.849 3.124 -8.041
189 HA ARG 22 HA ARG 22 -11.136 2.154 -10.539
190 HB2 ARG 22 2HB ARG 22 -8.912 1.641 -11.303
191 HB3 ARG 22 3HB ARG 22 -9.038 3.319 -10.760
192 HG2 ARG 22 2HG ARG 22 -8.072 2.144 -8.481
193 HG3 ARG 22 3HG ARG 22 -7.441 1.016 -9.672
194 HD2 ARG 22 2HD ARG 22 -5.766 2.673 -9.268
195 HD3 ARG 22 3HD ARG 22 -6.435 3.008 -10.872
196 HE ARG 22 HE ARG 22 -7.366 4.457 -8.389
197 HH11 ARG 22 2HH1 ARG 22 -6.079 4.803 -11.638
198 HH12 ARG 22 1HH1 ARG 22 -6.360 6.522 -11.629
199 HH21 ARG 22 2HH2 ARG 22 -7.703 6.537 -8.447
200 HH22 ARG 22 1HH2 ARG 22 -7.257 7.499 -9.841
201 H ASN 23 H ASN 23 -10.127 0.860 -7.491
202 HA ASN 23 HA ASN 23 -11.124 -1.810 -8.369
203 HB2 ASN 23 2HB ASN 23 -8.609 -1.758 -8.321
204 HB3 ASN 23 3HB ASN 23 -8.672 -1.323 -6.620
205 HD21 ASN 23 1HD2 ASN 23 -7.317 -3.605 -7.285
206 HD22 ASN 23 2HD2 ASN 23 -8.270 -5.027 -6.887
207 H HIS 24 H HIS 24 -13.064 -1.841 -7.324
208 HA HIS 24 HA HIS 24 -13.394 -0.651 -4.654
209 HB2 HIS 24 2HB HIS 24 -15.264 -2.007 -6.617
210 HB3 HIS 24 3HB HIS 24 -15.763 -1.570 -4.991
211 HD2 HIS 24 2HD HIS 24 -13.929 0.478 -7.824
212 HE1 HIS 24 1HE HIS 24 -17.094 2.859 -6.260
213 HE2 HIS 24 2HE HIS 24 -15.183 2.770 -7.953
214 H TYR 25 H TYR 25 -12.260 -3.673 -5.676
215 HA TYR 25 HA TYR 25 -12.744 -4.922 -3.055
216 HB2 TYR 25 2HB TYR 25 -13.722 -6.984 -4.243
217 HB3 TYR 25 3HB TYR 25 -14.741 -5.611 -3.927
218 HD1 TYR 25 2HD TYR 25 -13.001 -7.468 -6.655
219 HD2 TYR 25 1HD TYR 25 -15.785 -4.327 -5.655
220 HE1 TYR 25 2HE TYR 25 -13.706 -7.338 -9.032
221 HE2 TYR 25 1HE TYR 25 -16.491 -4.199 -8.042
222 HH TYR 25 HH TYR 25 -15.067 -6.311 -10.565
223 HA PRO 26 HA PRO 26 -8.669 -6.022 -5.066
224 HB2 PRO 26 2HB PRO 26 -6.956 -5.159 -3.142
225 HB3 PRO 26 3HB PRO 26 -7.626 -4.082 -4.388
226 HG2 PRO 26 2HG PRO 26 -8.676 -4.506 -1.569
227 HG3 PRO 26 3HG PRO 26 -8.290 -2.955 -2.381
228 HD2 PRO 26 2HD PRO 26 -10.829 -3.932 -2.313
229 HD3 PRO 26 3HD PRO 26 -10.205 -3.119 -3.782
230 H ASP 27 H ASP 27 -7.227 -7.625 -4.435
231 HA ASP 27 HA ASP 27 -8.292 -9.604 -2.453
232 HB2 ASP 27 2HB ASP 27 -8.731 -10.059 -4.900
233 HB3 ASP 27 3HB ASP 27 -6.988 -10.148 -5.142
234 H MET 28 H MET 28 -6.419 -11.400 -2.141
235 HA MET 28 HA MET 28 -4.373 -10.226 -0.623
236 HB2 MET 28 2HB MET 28 -3.280 -12.377 -0.602
237 HB3 MET 28 3HB MET 28 -5.021 -12.594 -0.445
238 HG2 MET 28 2HG MET 28 -5.225 -13.341 -2.727
239 HG3 MET 28 3HG MET 28 -3.584 -12.869 -3.122
240 HE1 MET 28 3HE MET 28 -1.528 -14.084 -2.882
241 HE2 MET 28 1HE MET 28 -1.577 -13.890 -1.117
242 HE3 MET 28 2HE MET 28 -1.251 -15.488 -1.822
243 H SER 29 H SER 29 -4.314 -10.734 -4.110
244 HA SER 29 HA SER 29 -1.436 -10.223 -4.330
245 HB2 SER 29 2HB SER 29 -3.555 -10.419 -6.500
246 HB3 SER 29 3HB SER 29 -1.798 -10.379 -6.743
247 HG SER 29 HG SER 29 -2.620 -12.526 -6.742
248 H THR 30 H THR 30 -4.480 -8.415 -5.058
249 HA THR 30 HA THR 30 -3.020 -6.085 -6.024
250 HB THR 30 HB THR 30 -5.497 -5.128 -5.854
251 HG1 THR 30 1HG THR 30 -6.521 -7.372 -6.644
252 HG21 THR 30 1HG2 THR 30 -4.209 -5.444 -7.939
253 HG22 THR 30 2HG2 THR 30 -5.880 -5.987 -8.143
254 HG23 THR 30 3HG2 THR 30 -4.577 -7.183 -7.916
255 H ARG 31 H ARG 31 -4.672 -6.915 -2.969
256 HA ARG 31 HA ARG 31 -4.321 -4.399 -1.664
257 HB2 ARG 31 2HB ARG 31 -4.294 -7.262 -0.612
258 HB3 ARG 31 3HB ARG 31 -4.230 -5.840 0.439
259 HG2 ARG 31 2HG ARG 31 -6.379 -5.029 -0.623
260 HG3 ARG 31 3HG ARG 31 -6.515 -6.592 -1.429
261 HD2 ARG 31 2HD ARG 31 -6.376 -6.140 1.562
262 HD3 ARG 31 3HD ARG 31 -7.857 -6.432 0.652
263 HE ARG 31 HE ARG 31 -5.701 -8.402 1.286
264 HH11 ARG 31 2HH1 ARG 31 -8.823 -8.068 -0.372
265 HH12 ARG 31 1HH1 ARG 31 -9.196 -9.731 -0.030
266 HH21 ARG 31 2HH2 ARG 31 -6.143 -10.372 1.438
267 HH22 ARG 31 1HH2 ARG 31 -7.653 -11.081 0.847
268 H GLU 32 H GLU 32 -2.063 -7.178 -1.875
269 HA GLU 32 HA GLU 32 0.129 -5.887 -0.530
270 HB2 GLU 32 2HB GLU 32 0.018 -8.105 -2.609
271 HB3 GLU 32 3HB GLU 32 1.535 -7.484 -1.935
272 HG2 GLU 32 2HG GLU 32 0.775 -8.014 0.343
273 HG3 GLU 32 3HG GLU 32 -0.733 -8.659 -0.290
274 H GLU 33 H GLU 33 -0.788 -5.959 -4.005
275 HA GLU 33 HA GLU 33 1.421 -4.563 -5.004
276 HB2 GLU 33 2HB GLU 33 -0.195 -5.717 -6.407
277 HB3 GLU 33 3HB GLU 33 -1.443 -4.525 -6.025
278 HG2 GLU 33 2HG GLU 33 -0.300 -2.781 -7.194
279 HG3 GLU 33 3HG GLU 33 1.164 -3.744 -7.342
280 H ILE 34 H ILE 34 -1.445 -3.063 -3.432
281 HA ILE 34 HA ILE 34 -0.312 -0.381 -3.952
282 HB ILE 34 HB ILE 34 -2.202 0.589 -3.207
283 HG12 ILE 34 2HG1 ILE 34 -4.024 -0.839 -1.905
284 HG13 ILE 34 3HG1 ILE 34 -2.610 -1.733 -1.360
285 HG21 ILE 34 1HG2 ILE 34 -2.611 -0.944 -5.187
286 HG22 ILE 34 2HG2 ILE 34 -3.379 -2.072 -4.045
287 HG23 ILE 34 3HG2 ILE 34 -4.063 -0.473 -4.278
288 HD11 ILE 34 3HD1 ILE 34 -1.670 0.426 -0.439
289 HD12 ILE 34 1HD1 ILE 34 -3.257 0.057 0.209
290 HD13 ILE 34 2HD1 ILE 34 -3.095 1.279 -1.065
291 H ALA 35 H ALA 35 -0.293 -2.731 -1.328
292 HA ALA 35 HA ALA 35 0.474 -0.931 0.772
293 HB1 ALA 35 1HB ALA 35 0.884 -3.017 2.003
294 HB2 ALA 35 2HB ALA 35 -0.643 -3.105 1.126
295 HB3 ALA 35 3HB ALA 35 0.793 -3.946 0.503
296 H VAL 36 H VAL 36 2.219 -2.730 -1.610
297 HA VAL 36 HA VAL 36 4.764 -3.034 -0.524
298 HB VAL 36 HB VAL 36 3.471 -3.060 -3.224
299 HG11 VAL 36 1HG1 VAL 36 5.491 -1.955 -3.932
300 HG12 VAL 36 2HG1 VAL 36 6.493 -3.151 -3.061
301 HG13 VAL 36 3HG1 VAL 36 5.484 -3.639 -4.446
302 HG21 VAL 36 3HG2 VAL 36 3.587 -5.002 -1.604
303 HG22 VAL 36 1HG2 VAL 36 4.198 -5.343 -3.228
304 HG23 VAL 36 2HG2 VAL 36 5.335 -5.058 -1.885
305 H TRP 37 H TRP 37 3.517 -0.142 -2.135
306 HA TRP 37 HA TRP 37 6.156 1.189 -1.714
307 HB2 TRP 37 2HB TRP 37 5.395 2.725 -3.556
308 HB3 TRP 37 3HB TRP 37 5.808 1.091 -4.012
309 HD1 TRP 37 1HD TRP 37 3.861 -0.567 -4.718
310 HE1 TRP 37 1HE TRP 37 1.473 -0.261 -5.453
311 HE3 TRP 37 3HE TRP 37 3.363 4.373 -3.558
312 HZ2 TRP 37 2HZ TRP 37 -0.462 1.943 -5.647
313 HZ3 TRP 37 3HZ TRP 37 1.235 5.577 -4.058
314 HH2 TRP 37 2HH TRP 37 -0.684 4.370 -5.065
315 H THR 38 H THR 38 3.397 0.941 -0.121
316 HA THR 38 HA THR 38 3.313 3.830 0.685
317 HB THR 38 HB THR 38 1.003 3.429 1.439
318 HG1 THR 38 1HG THR 38 0.854 1.157 -0.122
319 HG21 THR 38 1HG2 THR 38 -0.019 3.297 -0.818
320 HG22 THR 38 2HG2 THR 38 1.516 2.708 -1.495
321 HG23 THR 38 3HG2 THR 38 1.413 4.347 -0.828
322 H ASN 39 H ASN 39 4.743 1.141 1.707
323 HA ASN 39 HA ASN 39 5.459 0.279 3.649
324 HB2 ASN 39 2HB ASN 39 6.240 2.702 3.838
325 HB3 ASN 39 3HB ASN 39 4.884 2.959 4.930
326 HD21 ASN 39 1HD2 ASN 39 6.678 3.576 6.441
327 HD22 ASN 39 2HD2 ASN 39 7.477 2.279 7.318
328 H LEU 40 H LEU 40 2.907 -0.408 3.059
329 HA LEU 40 HA LEU 40 1.628 -0.851 5.739
330 HB2 LEU 40 2HB LEU 40 0.390 -0.640 2.967
331 HB3 LEU 40 3HB LEU 40 -0.494 -1.154 4.387
332 HG LEU 40 HG LEU 40 0.738 1.601 3.979
333 HD11 LEU 40 1HD1 LEU 40 -2.157 0.652 4.002
334 HD12 LEU 40 2HD1 LEU 40 -1.592 2.330 3.814
335 HD13 LEU 40 3HD1 LEU 40 -1.226 1.135 2.561
336 HD21 LEU 40 3HD2 LEU 40 0.702 1.057 6.362
337 HD22 LEU 40 1HD2 LEU 40 -0.608 2.185 6.008
338 HD23 LEU 40 2HD2 LEU 40 -0.971 0.466 6.236
339 H THR 41 H THR 41 0.116 -2.873 5.505
340 HA THR 41 HA THR 41 1.368 -5.063 3.929
341 HB THR 41 HB THR 41 2.129 -5.355 6.243
342 HG1 THR 41 1HG THR 41 1.495 -7.479 6.355
343 HG21 THR 41 1HG2 THR 41 0.280 -4.376 7.520
344 HG22 THR 41 2HG2 THR 41 0.528 -6.059 7.995
345 HG23 THR 41 3HG2 THR 41 -0.832 -5.637 6.933
346 H GLU 42 H GLU 42 -0.257 -6.899 3.614
347 HA GLU 42 HA GLU 42 -2.443 -5.706 2.270
348 HB2 GLU 42 2HB GLU 42 -2.933 -7.765 1.427
349 HB3 GLU 42 3HB GLU 42 -1.228 -7.882 1.803
350 HG2 GLU 42 2HG GLU 42 -1.959 -9.909 2.543
351 HG3 GLU 42 3HG GLU 42 -2.037 -9.001 4.047
352 H ALA 43 H ALA 43 -2.343 -7.079 5.495
353 HA ALA 43 HA ALA 43 -5.173 -7.077 6.037
354 HB1 ALA 43 1HB ALA 43 -2.788 -6.856 7.924
355 HB2 ALA 43 2HB ALA 43 -4.450 -7.293 8.372
356 HB3 ALA 43 3HB ALA 43 -3.507 -8.371 7.327
357 H ARG 44 H ARG 44 -2.788 -4.447 6.124
358 HA ARG 44 HA ARG 44 -4.603 -2.600 7.514
359 HB2 ARG 44 2HB ARG 44 -2.111 -2.116 5.788
360 HB3 ARG 44 3HB ARG 44 -2.992 -0.846 6.605
361 HG2 ARG 44 2HG ARG 44 -1.664 -3.160 8.077
362 HG3 ARG 44 3HG ARG 44 -0.932 -1.565 7.811
363 HD2 ARG 44 2HD ARG 44 -2.902 -0.520 8.949
364 HD3 ARG 44 3HD ARG 44 -3.499 -2.156 9.317
365 HE ARG 44 HE ARG 44 -0.847 -1.983 10.288
366 HH11 ARG 44 2HH2 ARG 44 -3.966 -0.571 11.061
367 HH12 ARG 44 1HH2 ARG 44 -3.464 -0.165 12.687
368 HH21 ARG 44 2HH1 ARG 44 -0.344 -1.520 12.430
369 HH22 ARG 44 1HH1 ARG 44 -1.536 -0.737 13.434
370 H VAL 45 H VAL 45 -3.822 -3.369 4.141
371 HA VAL 45 HA VAL 45 -5.620 -1.389 3.024
372 HB VAL 45 HB VAL 45 -4.789 -3.996 1.706
373 HG11 VAL 45 1HG1 VAL 45 -5.555 -1.263 0.593
374 HG12 VAL 45 2HG1 VAL 45 -5.049 -2.666 -0.364
375 HG13 VAL 45 3HG1 VAL 45 -6.568 -2.722 0.539
376 HG21 VAL 45 3HG2 VAL 45 -2.727 -2.982 2.415
377 HG22 VAL 45 1HG2 VAL 45 -2.934 -2.571 0.721
378 HG23 VAL 45 2HG2 VAL 45 -3.290 -1.361 1.970
379 H ARG 46 H ARG 46 -6.006 -4.891 3.725
380 HA ARG 46 HA ARG 46 -8.713 -5.224 3.012
381 HB2 ARG 46 2HB ARG 46 -7.003 -6.990 3.710
382 HB3 ARG 46 3HB ARG 46 -7.275 -6.493 5.382
383 HG2 ARG 46 2HG ARG 46 -9.770 -7.030 4.951
384 HG3 ARG 46 3HG ARG 46 -9.228 -7.816 3.463
385 HD2 ARG 46 2HD ARG 46 -8.290 -8.469 6.296
386 HD3 ARG 46 3HD ARG 46 -9.513 -9.364 5.407
387 HE ARG 46 HE ARG 46 -6.593 -9.197 4.630
388 HH11 ARG 46 2HH2 ARG 46 -9.525 -11.156 4.706
389 HH12 ARG 46 1HH2 ARG 46 -8.651 -12.573 4.191
390 HH21 ARG 46 2HH1 ARG 46 -5.625 -10.920 4.022
391 HH22 ARG 46 1HH1 ARG 46 -6.455 -12.465 3.816
392 H VAL 47 H VAL 47 -7.435 -4.260 6.246
393 HA VAL 47 HA VAL 47 -10.059 -3.973 7.349
394 HB VAL 47 HB VAL 47 -7.812 -4.387 8.548
395 HG11 VAL 47 1HG1 VAL 47 -7.757 -1.369 8.771
396 HG12 VAL 47 2HG1 VAL 47 -6.688 -2.562 9.552
397 HG13 VAL 47 3HG1 VAL 47 -6.662 -2.380 7.800
398 HG21 VAL 47 3HG2 VAL 47 -10.003 -4.226 9.667
399 HG22 VAL 47 1HG2 VAL 47 -8.718 -3.496 10.641
400 HG23 VAL 47 2HG2 VAL 47 -9.842 -2.454 9.738
401 H TRP 48 H TRP 48 -7.896 -1.542 5.845
402 HA TRP 48 HA TRP 48 -9.547 0.736 6.409
403 HB2 TRP 48 2HB TRP 48 -7.166 0.745 5.613
404 HB3 TRP 48 3HB TRP 48 -7.735 0.289 4.011
405 HD1 TRP 48 1HD TRP 48 -7.277 3.181 6.330
406 HE1 TRP 48 1HE TRP 48 -7.877 5.386 5.168
407 HE3 TRP 48 3HE TRP 48 -9.600 1.319 2.151
408 HZ2 TRP 48 2HZ TRP 48 -9.214 6.241 2.757
409 HZ3 TRP 48 3HZ TRP 48 -10.567 2.850 0.470
410 HH2 TRP 48 2HH TRP 48 -10.423 5.308 0.789
411 H PHE 49 H PHE 49 -9.431 -1.451 3.542
412 HA PHE 49 HA PHE 49 -11.582 -0.174 2.129
413 HB2 PHE 49 2HB PHE 49 -10.118 -2.813 1.937
414 HB3 PHE 49 3HB PHE 49 -11.602 -2.599 1.054
415 HD1 PHE 49 1HD PHE 49 -8.367 -0.651 1.580
416 HD2 PHE 49 2HD PHE 49 -11.492 -1.878 -1.131
417 HE1 PHE 49 1HE PHE 49 -7.206 0.492 -0.290
418 HE2 PHE 49 2HE PHE 49 -10.317 -0.732 -2.970
419 HZ PHE 49 HZ PHE 49 -8.214 0.491 -2.552
420 H LYS 50 H LYS 50 -11.583 -2.732 4.578
421 HA LYS 50 HA LYS 50 -14.394 -3.413 4.321
422 HB2 LYS 50 2HB LYS 50 -12.688 -4.881 5.358
423 HB3 LYS 50 3HB LYS 50 -12.520 -3.739 6.702
424 HG2 LYS 50 2HG LYS 50 -14.894 -4.122 7.325
425 HG3 LYS 50 3HG LYS 50 -15.108 -5.151 5.904
426 HD2 LYS 50 2HD LYS 50 -14.884 -6.549 7.840
427 HD3 LYS 50 3HD LYS 50 -13.444 -6.761 6.835
428 HE2 LYS 50 2HE LYS 50 -12.164 -5.253 8.325
429 HE3 LYS 50 3HE LYS 50 -13.619 -4.937 9.282
430 HZ1 LYS 50 3HZ LYS 50 -12.316 -7.598 9.006
431 HZ2 LYS 50 1HZ LYS 50 -13.657 -7.296 9.888
432 HZ3 LYS 50 2HZ LYS 50 -12.232 -6.639 10.325
433 H ASN 51 H ASN 51 -12.659 -1.082 6.421
434 HA ASN 51 HA ASN 51 -15.089 -0.097 7.678
435 HB2 ASN 51 2HB ASN 51 -12.231 0.916 7.471
436 HB3 ASN 51 3HB ASN 51 -13.508 1.931 8.138
437 HD21 ASN 51 1HD2 ASN 51 -11.676 -1.058 8.651
438 HD22 ASN 51 2HD2 ASN 51 -12.157 -1.203 10.343
439 H ARG 52 H ARG 52 -13.251 1.027 4.785
440 HA ARG 52 HA ARG 52 -14.679 3.390 4.462
441 HB2 ARG 52 2HB ARG 52 -12.525 2.466 3.261
442 HB3 ARG 52 3HB ARG 52 -13.636 1.764 2.100
443 HG2 ARG 52 2HG ARG 52 -12.764 3.924 1.318
444 HG3 ARG 52 3HG ARG 52 -14.503 4.022 1.550
445 HD2 ARG 52 2HD ARG 52 -13.206 6.031 2.366
446 HD3 ARG 52 3HD ARG 52 -14.280 5.284 3.560
447 HE ARG 52 HE ARG 52 -11.552 4.273 3.689
448 HH11 ARG 52 2HH2 ARG 52 -13.411 7.059 4.679
449 HH12 ARG 52 1HH2 ARG 52 -12.436 7.322 6.098
450 HH21 ARG 52 2HH1 ARG 52 -10.434 4.578 5.590
451 HH22 ARG 52 1HH1 ARG 52 -10.834 5.915 6.628
452 H ARG 53 H ARG 53 -15.576 0.233 3.093
453 HA ARG 53 HA ARG 53 -17.900 1.301 1.713
454 HB2 ARG 53 2HB ARG 53 -18.531 -0.965 1.248
455 HB3 ARG 53 3HB ARG 53 -16.818 -0.702 0.961
456 HG2 ARG 53 2HG ARG 53 -16.464 -1.748 3.338
457 HG3 ARG 53 3HG ARG 53 -18.156 -2.253 3.226
458 HD2 ARG 53 2HD ARG 53 -16.731 -4.074 2.480
459 HD3 ARG 53 3HD ARG 53 -17.608 -3.423 1.085
460 HE ARG 53 HE ARG 53 -14.843 -2.484 1.767
461 HH11 ARG 53 2HH2 ARG 53 -16.804 -4.037 -0.732
462 HH12 ARG 53 1HH2 ARG 53 -15.664 -3.536 -1.969
463 HH21 ARG 53 2HH1 ARG 53 -13.589 -1.861 0.118
464 HH22 ARG 53 1HH1 ARG 53 -13.934 -2.441 -1.511
465 H ALA 54 H ALA 54 -17.440 0.035 4.982
466 HA ALA 54 HA ALA 54 -20.236 0.057 5.700
467 HB1 ALA 54 1HB ALA 54 -19.421 -0.006 7.998
468 HB2 ALA 54 2HB ALA 54 -18.489 -1.134 6.994
469 HB3 ALA 54 3HB ALA 54 -17.786 0.428 7.477
470 H LYS 55 H LYS 55 -17.678 2.586 5.856
471 HA LYS 55 HA LYS 55 -19.423 4.629 6.942
472 HB2 LYS 55 2HB LYS 55 -16.753 4.846 5.499
473 HB3 LYS 55 3HB LYS 55 -17.631 6.197 6.229
474 HG2 LYS 55 2HG LYS 55 -17.637 4.830 8.423
475 HG3 LYS 55 3HG LYS 55 -16.478 3.763 7.644
476 HD2 LYS 55 2HD LYS 55 -15.204 5.271 8.921
477 HD3 LYS 55 3HD LYS 55 -15.012 5.812 7.241
478 HE2 LYS 55 2HE LYS 55 -16.689 7.590 7.602
479 HE3 LYS 55 3HE LYS 55 -17.044 6.965 9.215
480 HZ1 LYS 55 3HZ LYS 55 -15.552 8.861 9.336
481 HZ2 LYS 55 1HZ LYS 55 -14.442 8.137 8.388
482 HZ3 LYS 55 2HZ LYS 55 -14.769 7.537 9.873
483 H TRP 56 H TRP 56 -18.580 3.770 3.575
484 HA TRP 56 HA TRP 56 -19.917 5.912 2.260
485 HB2 TRP 56 2HB TRP 56 -18.607 4.619 0.856
486 HB3 TRP 56 3HB TRP 56 -19.123 3.111 1.581
487 HD1 TRP 56 1HD TRP 56 -20.973 5.826 -0.462
488 HE1 TRP 56 1HE TRP 56 -22.506 4.631 -2.206
489 HE3 TRP 56 3HE TRP 56 -19.957 0.969 0.720
490 HZ2 TRP 56 2HZ TRP 56 -23.171 1.966 -2.945
491 HZ3 TRP 56 3HZ TRP 56 -21.056 -0.895 -0.508
492 HH2 TRP 56 2HH TRP 56 -22.663 -0.410 -2.341
493 H ARG 57 H ARG 57 -21.228 2.740 3.258
494 HA ARG 57 HA ARG 57 -23.815 3.037 2.195
495 HB2 ARG 57 2HB ARG 57 -22.645 1.433 4.491
496 HB3 ARG 57 3HB ARG 57 -24.364 1.282 4.071
497 HG2 ARG 57 2HG ARG 57 -23.839 0.520 1.833
498 HG3 ARG 57 3HG ARG 57 -22.131 0.890 2.055
499 HD2 ARG 57 2HD ARG 57 -22.364 -1.483 2.302
500 HD3 ARG 57 3HD ARG 57 -21.982 -0.784 3.872
501 HE ARG 57 HE ARG 57 -24.051 -1.443 4.696
502 HH11 ARG 57 2HH1 ARG 57 -24.182 -1.864 1.217
503 HH12 ARG 57 1HH1 ARG 57 -25.693 -2.728 1.292
504 HH21 ARG 57 2HH2 ARG 57 -25.977 -2.541 4.712
505 HH22 ARG 57 1HH2 ARG 57 -26.675 -3.095 3.220
506 H LYS 58 H LYS 58 -22.661 4.511 5.147
507 HA LYS 58 HA LYS 58 -25.282 5.203 6.233
508 HB2 LYS 58 2HB LYS 58 -22.468 6.245 6.683
509 HB3 LYS 58 3HB LYS 58 -23.846 7.161 7.261
510 HG2 LYS 58 2HG LYS 58 -23.131 5.856 9.075
511 HG3 LYS 58 3HG LYS 58 -24.670 5.188 8.524
512 HD2 LYS 58 2HD LYS 58 -23.442 3.332 7.383
513 HD3 LYS 58 3HD LYS 58 -21.911 4.092 7.850
514 HE2 LYS 58 2HE LYS 58 -22.308 2.276 9.348
515 HE3 LYS 58 3HE LYS 58 -22.483 3.787 10.244
516 HZ1 LYS 58 3HZ LYS 58 -24.264 2.206 10.759
517 HZ2 LYS 58 1HZ LYS 58 -24.743 2.154 9.203
518 HZ3 LYS 58 2HZ LYS 58 -24.903 3.534 10.067
519 H ARG 59 H ARG 59 -23.422 6.535 3.608
520 HA ARG 59 HA ARG 59 -25.254 8.914 3.374
521 HB2 ARG 59 2HB ARG 59 -22.486 8.423 2.223
522 HB3 ARG 59 3HB ARG 59 -23.453 9.893 2.039
523 HG2 ARG 59 2HG ARG 59 -23.272 10.360 4.448
524 HG3 ARG 59 3HG ARG 59 -22.325 8.865 4.683
525 HD2 ARG 59 2HD ARG 59 -20.643 9.654 3.070
526 HD3 ARG 59 3HD ARG 59 -21.571 11.145 2.809
527 HE ARG 59 HE ARG 59 -21.007 10.975 5.576
528 HH11 ARG 59 2HH1 ARG 59 -19.224 11.388 2.564
529 HH12 ARG 59 1HH1 ARG 59 -17.951 12.296 3.350
530 HH21 ARG 59 2HH2 ARG 59 -19.342 12.154 6.496
531 HH22 ARG 59 1HH2 ARG 59 -18.023 12.715 5.511
532 H GLU 60 H GLU 60 -23.965 6.159 1.619
533 HA GLU 60 HA GLU 60 -24.222 5.310 -0.438
534 HB2 GLU 60 2HB GLU 60 -27.002 6.517 -0.396
535 HB3 GLU 60 3HB GLU 60 -26.408 5.265 -1.495
536 HG2 GLU 60 2HG GLU 60 -25.947 3.785 0.466
537 HG3 GLU 60 3HG GLU 60 -26.656 5.004 1.529
538 H GLU 61 H GLU 61 -22.670 7.525 -0.408
539 HA GLU 61 HA GLU 61 -23.317 9.494 -2.411
540 HB2 GLU 61 2HB GLU 61 -20.621 8.543 -1.352
541 HB3 GLU 61 3HB GLU 61 -20.826 9.866 -2.505
542 HG2 GLU 61 2HG GLU 61 -22.336 11.015 -0.835
543 HG3 GLU 61 3HG GLU 61 -21.911 9.754 0.324
544 H PHE 62 H PHE 62 -21.393 6.487 -2.684
545 HA PHE 62 HA PHE 62 -21.487 6.573 -5.645
546 HB2 PHE 62 2HB PHE 62 -19.411 5.867 -4.582
547 HB3 PHE 62 3HB PHE 62 -20.246 4.616 -3.677
548 HD1 PHE 62 2HD PHE 62 -19.382 5.715 -7.156
549 HD2 PHE 62 1HD PHE 62 -20.567 2.440 -4.606
550 HE1 PHE 62 2HE PHE 62 -19.020 4.120 -9.029
551 HE2 PHE 62 1HE PHE 62 -20.191 0.851 -6.479
552 HZ PHE 62 HZ PHE 62 -19.428 1.689 -8.691
553 H ILE 63 H ILE 63 -22.524 4.926 -6.878
554 HA ILE 63 HA ILE 63 -24.660 3.342 -5.517
555 HB ILE 63 HB ILE 63 -24.949 4.989 -8.050
556 HG12 ILE 63 2HG1 ILE 63 -25.149 6.387 -6.034
557 HG13 ILE 63 3HG1 ILE 63 -26.647 6.273 -6.929
558 HG21 ILE 63 1HG2 ILE 63 -26.889 3.018 -6.778
559 HG22 ILE 63 2HG2 ILE 63 -27.335 4.203 -8.026
560 HG23 ILE 63 3HG2 ILE 63 -26.162 2.940 -8.395
561 HD11 ILE 63 3HD1 ILE 63 -27.018 6.201 -4.497
562 HD12 ILE 63 1HD1 ILE 63 -26.052 4.724 -4.367
563 HD13 ILE 63 2HD1 ILE 63 -27.584 4.714 -5.268
564 H VAL 64 H VAL 64 -24.695 1.285 -6.076
565 HA VAL 64 HA VAL 64 -22.758 0.238 -8.018
566 HB VAL 64 HB VAL 64 -24.761 -1.397 -6.443
567 HG11 VAL 64 1HG1 VAL 64 -21.980 -2.015 -7.555
568 HG12 VAL 64 2HG1 VAL 64 -22.988 -3.131 -6.611
569 HG13 VAL 64 3HG1 VAL 64 -23.524 -2.615 -8.204
570 HG21 VAL 64 3HG2 VAL 64 -23.566 -0.059 -4.760
571 HG22 VAL 64 1HG2 VAL 64 -22.969 -1.716 -4.728
572 HG23 VAL 64 2HG2 VAL 64 -22.007 -0.449 -5.518
573 H THR 65 H THR 65 -23.229 -0.741 -9.956
574 HA THR 65 HA THR 65 -25.725 0.044 -11.191
575 HB THR 65 HB THR 65 -23.454 0.232 -12.204
576 HG1 THR 65 1HG THR 65 -25.483 -1.107 -13.646
577 HG21 THR 65 1HG2 THR 65 -22.593 -2.042 -11.724
578 HG22 THR 65 2HG2 THR 65 -22.517 -1.634 -13.445
579 HG23 THR 65 3HG2 THR 65 -23.784 -2.727 -12.850
580 H ASP 66 H ASP 66 -25.077 -2.706 -9.464
581 HA ASP 66 HA ASP 66 -27.297 -4.243 -10.709
582 HB2 ASP 66 2HB ASP 66 -25.210 -5.138 -11.656
583 HB3 ASP 66 3HB ASP 66 -24.558 -5.381 -10.040