*HEADER TRANSCRIPTION 07-JUL-16 5LGM
*TITLE GP5.7 MUTANT L42A
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: FUSION PROTEIN 5.5/5.7;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T7;
*SOURCE 3 ORGANISM_TAXID: 10760;
*SOURCE 4 GENE: 5.5;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR
*SOURCE 6 PPPARG4;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 1182032
*KEYWDS TRANSCRIPTION EFFECTOR, ANTI-SIGMA EFFECTOR, TRANSCRIPTION
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR B.LIU,S.MATTHEWS
*REVDAT 1 16-AUG-17 5LGM 0
# Restraints file 1: cnoesy_xpk.xml
# Restraints file 2: nnoesy_xpk.xml
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 16 HT1 MET 16 -7.434 0.246 10.380
2 H2 MET 16 HT2 MET 16 -5.939 1.031 10.385
3 H3 MET 16 HT3 MET 16 -6.043 -0.589 10.854
4 HA MET 16 HA MET 16 -5.125 -0.430 8.664
5 HB2 MET 16 HB2 MET 16 -6.729 -1.889 7.474
6 HB3 MET 16 HB1 MET 16 -6.462 -2.390 9.133
7 HG2 MET 16 HG2 MET 16 -8.743 -2.654 8.813
8 HG3 MET 16 HG1 MET 16 -8.612 -1.125 9.675
9 HE1 MET 16 HE1 MET 16 -11.180 -2.198 8.036
10 HE2 MET 16 HE2 MET 16 -11.709 -0.713 7.247
11 HE3 MET 16 HE3 MET 16 -11.184 -0.677 8.929
12 H SER 17 HN SER 17 -7.681 1.731 9.258
13 HA SER 17 HA SER 17 -8.644 2.309 6.715
14 HB2 SER 17 HB2 SER 17 -9.674 3.165 8.767
15 HB3 SER 17 HB1 SER 17 -8.267 4.182 9.063
16 HG SER 17 HG SER 17 -9.972 4.361 6.789
17 H ASP 18 HN ASP 18 -5.864 3.720 8.435
18 HA ASP 18 HA ASP 18 -5.205 5.547 6.350
19 HB2 ASP 18 HB2 ASP 18 -3.577 4.469 8.650
20 HB3 ASP 18 HB1 ASP 18 -2.992 5.702 7.543
21 H TYR 19 HN TYR 19 -4.141 2.322 7.213
22 HA TYR 19 HA TYR 19 -1.965 2.095 5.467
23 HB2 TYR 19 HB2 TYR 19 -1.811 0.207 6.675
24 HB3 TYR 19 HB1 TYR 19 -3.472 0.370 7.218
25 HD1 TYR 19 HD1 TYR 19 -4.970 -1.291 6.684
26 HD2 TYR 19 HD2 TYR 19 -1.550 -0.775 4.208
27 HE1 TYR 19 HE1 TYR 19 -5.629 -3.255 5.368
28 HE2 TYR 19 HE2 TYR 19 -2.207 -2.731 2.888
29 HH TYR 19 HH TYR 19 -3.658 -4.369 2.636
30 H LEU 20 HN LEU 20 -5.414 1.566 4.938
31 HA LEU 20 HA LEU 20 -5.387 -0.030 2.708
32 HB2 LEU 20 HB2 LEU 20 -7.270 2.271 3.201
33 HB3 LEU 20 HB1 LEU 20 -7.558 0.918 2.121
34 HG LEU 20 HG LEU 20 -7.289 0.727 5.124
35 HD11 LEU 20 HD11 LEU 20 -9.661 0.132 5.059
36 HD12 LEU 20 HD12 LEU 20 -9.688 0.467 3.327
37 HD13 LEU 20 HD13 LEU 20 -9.369 1.769 4.473
38 HD21 LEU 20 HD21 LEU 20 -7.879 -1.382 3.052
39 HD22 LEU 20 HD22 LEU 20 -8.030 -1.602 4.795
40 HD23 LEU 20 HD23 LEU 20 -6.450 -1.279 4.083
41 H LYS 21 HN LYS 21 -5.117 3.503 2.785
42 HA LYS 21 HA LYS 21 -5.051 3.605 -0.089
43 HB2 LYS 21 HB2 LYS 21 -4.787 5.727 2.019
44 HB3 LYS 21 HB1 LYS 21 -4.584 6.056 0.301
45 HG2 LYS 21 HG2 LYS 21 -6.870 5.055 -0.043
46 HG3 LYS 21 HG1 LYS 21 -7.050 5.073 1.715
47 HD2 LYS 21 HD2 LYS 21 -8.068 7.053 0.682
48 HD3 LYS 21 HD1 LYS 21 -6.718 7.495 1.721
49 HE2 LYS 21 HE2 LYS 21 -6.719 8.768 -0.371
50 HE3 LYS 21 HE1 LYS 21 -5.278 7.772 -0.209
51 HZ1 LYS 21 HZ1 LYS 21 -6.271 6.149 -1.697
52 HZ2 LYS 21 HZ2 LYS 21 -6.191 7.667 -2.442
53 HZ3 LYS 21 HZ3 LYS 21 -7.665 7.099 -1.839
54 H VAL 22 HN VAL 22 -2.711 3.147 2.342
55 HA VAL 22 HA VAL 22 -0.587 4.672 1.429
56 HB VAL 22 HB VAL 22 -0.840 2.296 3.154
57 HG11 VAL 22 HG11 VAL 22 0.999 1.533 1.725
58 HG12 VAL 22 HG12 VAL 22 1.573 1.952 3.339
59 HG13 VAL 22 HG13 VAL 22 1.842 3.062 1.993
60 HG21 VAL 22 HG21 VAL 22 -0.914 4.391 4.188
61 HG22 VAL 22 HG22 VAL 22 0.427 5.015 3.227
62 HG23 VAL 22 HG23 VAL 22 0.729 3.814 4.495
63 H LEU 23 HN LEU 23 -1.094 1.197 0.622
64 HA LEU 23 HA LEU 23 0.899 1.367 -1.408
65 HB2 LEU 23 HB2 LEU 23 -0.455 -0.916 -2.034
66 HB3 LEU 23 HB1 LEU 23 0.930 -0.796 -0.978
67 HG LEU 23 HG LEU 23 -0.641 -0.635 0.959
68 HD11 LEU 23 HD11 LEU 23 -2.962 -1.441 0.551
69 HD12 LEU 23 HD12 LEU 23 -2.687 -1.210 -1.175
70 HD13 LEU 23 HD13 LEU 23 -2.634 0.171 -0.080
71 HD21 LEU 23 HD21 LEU 23 -0.842 -3.071 -0.805
72 HD22 LEU 23 HD22 LEU 23 -1.246 -3.021 0.909
73 HD23 LEU 23 HD23 LEU 23 0.413 -2.733 0.388
74 H GLN 24 HN GLN 24 -2.660 1.517 -1.529
75 HA GLN 24 HA GLN 24 -2.659 1.204 -4.370
76 HB2 GLN 24 HB2 GLN 24 -5.048 1.622 -4.306
77 HB3 GLN 24 HB1 GLN 24 -4.580 0.405 -3.133
78 HG2 GLN 24 HG2 GLN 24 -6.108 1.682 -1.974
79 HG3 GLN 24 HG1 GLN 24 -4.575 2.378 -1.464
80 HE21 GLN 24 HE21 GLN 24 -5.947 2.988 -4.623
81 HE22 GLN 24 HE22 GLN 24 -6.331 4.649 -4.345
82 H ALA 25 HN ALA 25 -2.393 3.959 -2.293
83 HA ALA 25 HA ALA 25 -3.678 5.863 -3.893
84 HB1 ALA 25 HB1 ALA 25 -2.420 7.549 -2.675
85 HB2 ALA 25 HB2 ALA 25 -1.333 6.306 -2.055
86 HB3 ALA 25 HB3 ALA 25 -3.032 6.307 -1.582
87 H ILE 26 HN ILE 26 -0.390 4.621 -4.001
88 HA ILE 26 HA ILE 26 0.673 6.641 -5.644
89 HB ILE 26 HB ILE 26 2.108 5.204 -4.321
90 HG12 ILE 26 HG12 ILE 26 2.617 4.850 -7.285
91 HG13 ILE 26 HG11 ILE 26 3.054 6.264 -6.334
92 HG21 ILE 26 HG21 ILE 26 2.533 2.876 -5.012
93 HG22 ILE 26 HG22 ILE 26 1.204 3.004 -6.166
94 HG23 ILE 26 HG23 ILE 26 0.888 3.139 -4.435
95 HD11 ILE 26 HD11 ILE 26 4.971 4.825 -6.731
96 HD12 ILE 26 HD12 ILE 26 4.135 3.483 -5.947
97 HD13 ILE 26 HD13 ILE 26 4.584 4.909 -5.011
98 H LYS 27 HN LYS 27 -1.061 3.669 -6.464
99 HA LYS 27 HA LYS 27 -0.236 3.657 -9.184
100 HB2 LYS 27 HB2 LYS 27 -1.810 1.894 -9.498
101 HB3 LYS 27 HB1 LYS 27 -1.063 1.651 -7.938
102 HG2 LYS 27 HG2 LYS 27 -3.173 1.290 -7.282
103 HG3 LYS 27 HG1 LYS 27 -3.235 3.050 -7.201
104 HD2 LYS 27 HD2 LYS 27 -5.170 2.384 -8.383
105 HD3 LYS 27 HD1 LYS 27 -4.050 2.999 -9.599
106 HE2 LYS 27 HE2 LYS 27 -3.360 0.680 -10.093
107 HE3 LYS 27 HE1 LYS 27 -4.539 0.101 -8.915
108 HZ1 LYS 27 HZ1 LYS 27 -5.352 0.002 -11.215
109 HZ2 LYS 27 HZ2 LYS 27 -5.211 1.683 -11.339
110 HZ3 LYS 27 HZ3 LYS 27 -6.306 1.004 -10.247
111 H SER 28 HN SER 28 -2.762 5.215 -7.402
112 HA SER 28 HA SER 28 -4.092 6.113 -9.836
113 HB2 SER 28 HB2 SER 28 -5.389 5.359 -7.799
114 HB3 SER 28 HB1 SER 28 -4.773 6.785 -6.963
115 HG SER 28 HG SER 28 -6.650 6.583 -9.018
116 H CYS 29 HN CYS 29 -2.317 7.371 -7.062
117 HA CYS 29 HA CYS 29 -1.598 9.753 -8.623
118 HB2 CYS 29 HB2 CYS 29 -3.313 10.424 -7.001
119 HB3 CYS 29 HB1 CYS 29 -2.389 9.687 -5.696
120 HG CYS 29 HG CYS 29 -2.104 12.411 -5.405
121 HA PRO 30 HA PRO 30 2.256 7.570 -7.849
122 HB2 PRO 30 HB2 PRO 30 3.316 10.151 -8.893
123 HB3 PRO 30 HB1 PRO 30 3.705 8.496 -9.371
124 HG2 PRO 30 HG2 PRO 30 2.133 10.008 -10.892
125 HG3 PRO 30 HG1 PRO 30 1.797 8.281 -10.671
126 HD2 PRO 30 HD2 PRO 30 0.435 10.648 -9.473
127 HD3 PRO 30 HD1 PRO 30 -0.242 9.087 -9.979
128 H LYS 31 HN LYS 31 3.988 7.646 -6.481
129 HA LYS 31 HA LYS 31 5.504 8.361 -4.958
130 HB2 LYS 31 HB2 LYS 31 5.412 10.572 -6.091
131 HB3 LYS 31 HB1 LYS 31 4.123 11.042 -4.995
132 HG2 LYS 31 HG2 LYS 31 5.644 10.762 -3.096
133 HG3 LYS 31 HG1 LYS 31 6.938 10.325 -4.214
134 HD2 LYS 31 HD2 LYS 31 6.694 12.532 -5.301
135 HD3 LYS 31 HD1 LYS 31 5.473 12.960 -4.102
136 HE2 LYS 31 HE2 LYS 31 8.339 12.235 -3.509
137 HE3 LYS 31 HE1 LYS 31 7.680 13.869 -3.533
138 HZ1 LYS 31 HZ1 LYS 31 6.742 11.712 -1.724
139 HZ2 LYS 31 HZ2 LYS 31 6.270 13.334 -1.691
140 HZ3 LYS 31 HZ3 LYS 31 7.853 12.906 -1.284
141 H THR 32 HN THR 32 2.117 8.571 -4.432
142 HA THR 32 HA THR 32 2.198 9.311 -1.677
143 HB THR 32 HB THR 32 -0.112 7.833 -2.861
144 HG1 THR 32 HG1 THR 32 0.036 9.312 -4.447
145 HG21 THR 32 HG21 THR 32 -1.379 9.349 -1.448
146 HG22 THR 32 HG22 THR 32 0.096 10.205 -1.004
147 HG23 THR 32 HG23 THR 32 -0.141 8.533 -0.498
148 H PHE 33 HN PHE 33 3.474 7.994 -0.503
149 HA PHE 33 HA PHE 33 3.439 6.677 1.316
150 HB2 PHE 33 HB2 PHE 33 0.750 5.850 0.263
151 HB3 PHE 33 HB1 PHE 33 1.427 5.269 1.775
152 HD1 PHE 33 HD1 PHE 33 2.724 7.925 2.599
153 HD2 PHE 33 HD2 PHE 33 -1.148 6.936 1.133
154 HE1 PHE 33 HE1 PHE 33 1.789 9.877 3.763
155 HE2 PHE 33 HE2 PHE 33 -2.088 8.889 2.293
156 HZ PHE 33 HZ PHE 33 -0.620 10.362 3.612
157 H GLN 34 HN GLN 34 3.785 5.483 -1.730
158 HA GLN 34 HA GLN 34 4.355 2.831 -0.608
159 HB2 GLN 34 HB2 GLN 34 2.533 2.761 -2.235
160 HB3 GLN 34 HB1 GLN 34 3.587 3.462 -3.454
161 HG2 GLN 34 HG2 GLN 34 5.112 1.475 -3.034
162 HG3 GLN 34 HG1 GLN 34 3.756 0.768 -2.163
163 HE21 GLN 34 HE21 GLN 34 5.035 1.656 -5.239
164 HE22 GLN 34 HE22 GLN 34 3.831 0.879 -6.205
165 H SER 35 HN SER 35 5.439 5.269 -2.901
166 HA SER 35 HA SER 35 7.621 4.163 -4.058
167 HB2 SER 35 HB2 SER 35 7.610 6.974 -2.969
168 HB3 SER 35 HB1 SER 35 8.439 6.377 -4.408
169 HG SER 35 HG SER 35 6.637 6.488 -5.508
170 H ASN 36 HN ASN 36 7.980 6.192 -1.131
171 HA ASN 36 HA ASN 36 10.340 4.556 -0.417
172 HB2 ASN 36 HB2 ASN 36 9.917 7.520 0.057
173 HB3 ASN 36 HB1 ASN 36 11.316 6.595 0.585
174 HD21 ASN 36 HD21 ASN 36 11.632 5.034 -1.778
175 HD22 ASN 36 HD22 ASN 36 12.167 6.101 -3.029
176 H TYR 37 HN TYR 37 7.304 5.623 0.417
177 HA TYR 37 HA TYR 37 7.529 6.060 3.201
178 HB2 TYR 37 HB2 TYR 37 5.726 6.855 1.640
179 HB3 TYR 37 HB1 TYR 37 5.096 5.219 1.631
180 HD1 TYR 37 HD1 TYR 37 3.571 4.528 3.276
181 HD2 TYR 37 HD2 TYR 37 5.800 8.101 3.855
182 HE1 TYR 37 HE1 TYR 37 2.137 5.102 5.185
183 HE2 TYR 37 HE2 TYR 37 4.385 8.682 5.776
184 HH TYR 37 HH TYR 37 2.350 6.526 7.300
185 H VAL 38 HN VAL 38 7.017 3.209 1.241
186 HA VAL 38 HA VAL 38 5.992 1.434 3.113
187 HB VAL 38 HB VAL 38 7.800 0.963 0.749
188 HG11 VAL 38 HG11 VAL 38 7.231 -1.431 0.949
189 HG12 VAL 38 HG12 VAL 38 6.495 -1.104 2.515
190 HG13 VAL 38 HG13 VAL 38 8.224 -0.855 2.288
191 HG21 VAL 38 HG21 VAL 38 4.868 0.514 1.256
192 HG22 VAL 38 HG22 VAL 38 5.722 0.002 -0.199
193 HG23 VAL 38 HG23 VAL 38 5.594 1.715 0.192
194 H ARG 39 HN ARG 39 9.378 2.310 2.508
195 HA ARG 39 HA ARG 39 10.520 0.317 4.118
196 HB2 ARG 39 HB2 ARG 39 11.760 1.711 2.481
197 HB3 ARG 39 HB1 ARG 39 11.640 3.065 3.598
198 HG2 ARG 39 HG2 ARG 39 13.799 2.071 3.841
199 HG3 ARG 39 HG1 ARG 39 12.850 1.714 5.281
200 HD2 ARG 39 HD2 ARG 39 12.989 -0.220 2.996
201 HD3 ARG 39 HD1 ARG 39 14.241 -0.179 4.235
202 HE ARG 39 HE ARG 39 11.780 -0.337 5.536
203 HH11 ARG 39 HH11 ARG 39 13.769 -2.252 3.400
204 HH12 ARG 39 HH12 ARG 39 13.187 -3.774 3.999
205 HH21 ARG 39 HH21 ARG 39 10.992 -2.338 6.329
206 HH22 ARG 39 HH22 ARG 39 11.589 -3.821 5.655
207 H ASN 40 HN ASN 40 9.278 3.506 4.943
208 HA ASN 40 HA ASN 40 10.256 3.292 7.666
209 HB2 ASN 40 HB2 ASN 40 10.205 5.484 6.492
210 HB3 ASN 40 HB1 ASN 40 8.447 5.390 6.453
211 HD21 ASN 40 HD21 ASN 40 8.155 7.221 7.683
212 HD22 ASN 40 HD22 ASN 40 8.521 7.278 9.374
213 H ASN 41 HN ASN 41 7.190 3.091 5.937
214 HA ASN 41 HA ASN 41 5.883 2.357 8.471
215 HB2 ASN 41 HB2 ASN 41 4.732 3.622 5.976
216 HB3 ASN 41 HB1 ASN 41 3.738 2.947 7.262
217 HD21 ASN 41 HD21 ASN 41 6.019 5.453 6.430
218 HD22 ASN 41 HD22 ASN 41 5.649 6.499 7.757
219 H ALA 42 HN ALA 42 7.279 0.379 7.453
220 HA ALA 42 HA ALA 42 6.048 -1.176 5.446
221 HB1 ALA 42 HB1 ALA 42 8.394 -1.447 6.108
222 HB2 ALA 42 HB2 ALA 42 7.512 -2.971 6.192
223 HB3 ALA 42 HB3 ALA 42 7.878 -2.082 7.670
224 H SER 43 HN SER 43 5.517 -0.890 8.891
225 HA SER 43 HA SER 43 4.109 -3.280 9.323
226 HB2 SER 43 HB2 SER 43 3.607 -0.650 10.722
227 HB3 SER 43 HB1 SER 43 3.296 -2.271 11.344
228 HG SER 43 HG SER 43 5.611 -0.826 11.312
229 H LEU 44 HN LEU 44 3.090 -0.165 8.032
230 HA LEU 44 HA LEU 44 0.306 -0.711 8.024
231 HB2 LEU 44 HB2 LEU 44 1.983 1.128 6.313
232 HB3 LEU 44 HB1 LEU 44 0.237 1.040 6.199
233 HG LEU 44 HG LEU 44 1.794 1.888 8.645
234 HD11 LEU 44 HD11 LEU 44 1.875 3.528 6.828
235 HD12 LEU 44 HD12 LEU 44 0.903 4.104 8.181
236 HD13 LEU 44 HD13 LEU 44 0.115 3.496 6.725
237 HD21 LEU 44 HD21 LEU 44 -1.172 1.795 8.120
238 HD22 LEU 44 HD22 LEU 44 -0.408 2.532 9.528
239 HD23 LEU 44 HD23 LEU 44 -0.278 0.793 9.262
240 H VAL 45 HN VAL 45 2.870 -1.127 5.650
241 HA VAL 45 HA VAL 45 1.227 -2.149 3.585
242 HB VAL 45 HB VAL 45 4.176 -2.670 3.969
243 HG11 VAL 45 HG11 VAL 45 3.113 -4.011 2.228
244 HG12 VAL 45 HG12 VAL 45 4.218 -2.823 1.534
245 HG13 VAL 45 HG13 VAL 45 2.477 -2.545 1.482
246 HG21 VAL 45 HG21 VAL 45 3.667 -0.273 4.183
247 HG22 VAL 45 HG22 VAL 45 2.858 -0.322 2.615
248 HG23 VAL 45 HG23 VAL 45 4.589 -0.636 2.726
249 H ALA 46 HN ALA 46 2.909 -3.608 6.290
250 HA ALA 46 HA ALA 46 2.778 -6.299 5.464
251 HB1 ALA 46 HB1 ALA 46 4.252 -5.544 7.259
252 HB2 ALA 46 HB2 ALA 46 3.196 -6.843 7.816
253 HB3 ALA 46 HB3 ALA 46 2.851 -5.171 8.266
254 H GLU 47 HN GLU 47 0.440 -4.191 6.962
255 HA GLU 47 HA GLU 47 -1.425 -6.053 7.896
256 HB2 GLU 47 HB2 GLU 47 -1.928 -3.352 6.637
257 HB3 GLU 47 HB1 GLU 47 -3.084 -4.256 7.596
258 HG2 GLU 47 HG2 GLU 47 -0.440 -3.231 8.595
259 HG3 GLU 47 HG1 GLU 47 -1.991 -2.433 8.838
260 H ALA 48 HN ALA 48 -0.661 -4.937 4.718
261 HA ALA 48 HA ALA 48 -2.965 -5.607 3.310
262 HB1 ALA 48 HB1 ALA 48 -0.160 -5.744 2.253
263 HB2 ALA 48 HB2 ALA 48 -1.067 -4.248 2.467
264 HB3 ALA 48 HB3 ALA 48 -1.642 -5.472 1.334
265 H ALA 49 HN ALA 49 -0.405 -7.648 4.477
266 HA ALA 49 HA ALA 49 -0.819 -9.850 2.797
267 HB1 ALA 49 HB1 ALA 49 0.276 -11.176 4.526
268 HB2 ALA 49 HB2 ALA 49 0.082 -9.854 5.674
269 HB3 ALA 49 HB3 ALA 49 1.125 -9.651 4.268
270 H SER 50 HN SER 50 -2.547 -8.656 5.563
271 HA SER 50 HA SER 50 -4.160 -10.984 5.956
272 HB2 SER 50 HB2 SER 50 -3.668 -9.274 7.728
273 HB3 SER 50 HB1 SER 50 -4.708 -8.149 6.859
274 HG SER 50 HG SER 50 -5.754 -9.305 8.587
275 H ARG 51 HN ARG 51 -4.500 -7.940 4.153
276 HA ARG 51 HA ARG 51 -7.194 -8.377 3.365
277 HB2 ARG 51 HB2 ARG 51 -5.032 -6.510 2.627
278 HB3 ARG 51 HB1 ARG 51 -6.209 -6.826 1.363
279 HG2 ARG 51 HG2 ARG 51 -6.822 -4.854 2.608
280 HG3 ARG 51 HG1 ARG 51 -8.010 -6.127 2.872
281 HD2 ARG 51 HD2 ARG 51 -5.752 -5.850 4.793
282 HD3 ARG 51 HD1 ARG 51 -7.070 -4.682 4.867
283 HE ARG 51 HE ARG 51 -8.294 -7.135 4.834
284 HH11 ARG 51 HH11 ARG 51 -5.904 -5.584 6.857
285 HH12 ARG 51 HH12 ARG 51 -6.422 -6.378 8.309
286 HH21 ARG 51 HH21 ARG 51 -8.991 -8.178 6.747
287 HH22 ARG 51 HH22 ARG 51 -8.173 -7.856 8.243
288 H GLY 52 HN GLY 52 -4.070 -9.282 1.993
289 HA2 GLY 52 HA2 GLY 52 -4.100 -11.572 1.111
290 HA3 GLY 52 HA1 GLY 52 -5.594 -11.159 0.298
291 H HIS 53 HN HIS 53 -3.541 -8.507 -0.049
292 HA HIS 53 HA HIS 53 -2.281 -9.646 -2.421
293 HB2 HIS 53 HB2 HIS 53 -4.445 -7.618 -2.468
294 HB3 HIS 53 HB1 HIS 53 -3.125 -7.433 -3.620
295 HD1 HIS 53 HD1 HIS 53 -6.088 -9.570 -2.847
296 HD2 HIS 53 HD2 HIS 53 -2.951 -9.449 -5.578
297 HE1 HIS 53 HE1 HIS 53 -6.701 -11.204 -4.654
298 HE2 HIS 53 HE2 HIS 53 -4.758 -11.175 -6.253
299 H ILE 54 HN ILE 54 -0.307 -9.016 -2.702
300 HA ILE 54 HA ILE 54 0.567 -6.309 -2.379
301 HB ILE 54 HB ILE 54 2.597 -7.379 -0.938
302 HG12 ILE 54 HG12 ILE 54 0.074 -8.600 0.202
303 HG13 ILE 54 HG11 ILE 54 1.391 -9.486 -0.561
304 HG21 ILE 54 HG21 ILE 54 1.648 -6.162 0.999
305 HG22 ILE 54 HG22 ILE 54 0.156 -5.957 0.079
306 HG23 ILE 54 HG23 ILE 54 1.659 -5.239 -0.504
307 HD11 ILE 54 HD11 ILE 54 1.535 -9.645 1.844
308 HD12 ILE 54 HD12 ILE 54 1.563 -7.887 1.981
309 HD13 ILE 54 HD13 ILE 54 2.904 -8.732 1.210
310 H SER 55 HN SER 55 2.924 -6.119 -2.939
311 HA SER 55 HA SER 55 4.101 -8.400 -4.289
312 HB2 SER 55 HB2 SER 55 2.704 -7.325 -6.034
313 HB3 SER 55 HB1 SER 55 3.550 -5.803 -5.754
314 HG SER 55 HG SER 55 4.316 -7.991 -7.200
315 H CYS 56 HN CYS 56 6.329 -8.324 -4.184
316 HA CYS 56 HA CYS 56 7.434 -5.957 -2.822
317 HB2 CYS 56 HB2 CYS 56 9.176 -7.552 -1.966
318 HB3 CYS 56 HB1 CYS 56 7.544 -7.881 -1.393
319 HG CYS 56 HG CYS 56 8.669 -9.538 -4.133
320 H ALA 57 HN ALA 57 8.999 -4.826 -3.779
321 HA ALA 57 HA ALA 57 9.956 -5.691 -6.372
322 HB1 ALA 57 HB1 ALA 57 10.948 -3.467 -6.531
323 HB2 ALA 57 HB2 ALA 57 10.502 -3.143 -4.855
324 HB3 ALA 57 HB3 ALA 57 9.247 -3.379 -6.073
325 H THR 58 HN THR 58 11.570 -4.555 -3.362
326 HA THR 58 HA THR 58 13.466 -6.700 -3.657
327 HB THR 58 HB THR 58 14.593 -3.916 -3.520
328 HG1 THR 58 HG1 THR 58 13.701 -5.323 -5.644
329 HG21 THR 58 HG21 THR 58 15.987 -5.623 -2.475
330 HG22 THR 58 HG22 THR 58 16.715 -5.052 -3.977
331 HG23 THR 58 HG23 THR 58 15.885 -6.608 -3.934
332 H THR 59 HN THR 59 12.208 -4.088 -1.813
333 HA THR 59 HA THR 59 12.013 -3.640 0.389
334 HB THR 59 HB THR 59 12.380 -6.553 1.003
335 HG1 THR 59 HG1 THR 59 10.588 -7.050 -0.064
336 HG21 THR 59 HG21 THR 59 10.409 -4.471 1.968
337 HG22 THR 59 HG22 THR 59 11.885 -4.930 2.815
338 HG23 THR 59 HG23 THR 59 10.591 -6.111 2.594
339 H SER 60 HN SER 60 14.868 -4.030 -0.775
340 HA SER 60 HA SER 60 16.337 -4.628 1.645
341 HB2 SER 60 HB2 SER 60 17.357 -3.685 -1.041
342 HB3 SER 60 HB1 SER 60 18.340 -4.305 0.284
343 HG SER 60 HG SER 60 16.572 -6.147 -0.076
344 H GLY 61 HN GLY 61 16.503 -1.895 -0.615
345 HA2 GLY 61 HA2 GLY 61 17.106 -0.119 1.622
346 HA3 GLY 61 HA1 GLY 61 17.202 0.290 -0.085
347 H ARG 62 HN ARG 62 15.961 2.101 -0.085
348 HA ARG 62 HA ARG 62 13.124 1.689 0.586
349 HB2 ARG 62 HB2 ARG 62 13.028 4.104 1.186
350 HB3 ARG 62 HB1 ARG 62 14.043 3.150 2.254
351 HG2 ARG 62 HG2 ARG 62 16.024 3.938 0.977
352 HG3 ARG 62 HG1 ARG 62 14.951 5.011 0.073
353 HD2 ARG 62 HD2 ARG 62 16.045 6.181 1.921
354 HD3 ARG 62 HD1 ARG 62 14.296 6.114 2.142
355 HE ARG 62 HE ARG 62 15.582 3.938 3.448
356 HH11 ARG 62 HH11 ARG 62 14.993 7.376 3.744
357 HH12 ARG 62 HH12 ARG 62 15.060 7.367 5.478
358 HH21 ARG 62 HH21 ARG 62 15.643 3.914 5.736
359 HH22 ARG 62 HH22 ARG 62 15.418 5.395 6.611
360 H ASN 63 HN ASN 63 15.303 2.255 -1.845
361 HA ASN 63 HA ASN 63 13.553 4.000 -3.400
362 HB2 ASN 63 HB2 ASN 63 15.956 4.494 -3.422
363 HB3 ASN 63 HB1 ASN 63 16.296 2.878 -4.030
364 HD21 ASN 63 HD21 ASN 63 15.133 6.041 -4.794
365 HD22 ASN 63 HD22 ASN 63 15.086 5.835 -6.512
366 H GLY 64 HN GLY 64 15.419 1.083 -4.238
367 HA2 GLY 64 HA2 GLY 64 13.228 0.223 -5.968
368 HA3 GLY 64 HA1 GLY 64 14.845 -0.465 -5.921
369 H GLY 65 HN GLY 65 14.664 -0.499 -2.920
370 HA2 GLY 65 HA2 GLY 65 13.306 -3.075 -2.746
371 HA3 GLY 65 HA1 GLY 65 14.335 -2.353 -1.515
372 H ALA 66 HN ALA 66 11.307 -1.656 -3.194
373 HA ALA 66 HA ALA 66 10.041 -1.189 -0.578
374 HB1 ALA 66 HB1 ALA 66 10.321 0.931 -1.782
375 HB2 ALA 66 HB2 ALA 66 8.618 0.498 -1.632
376 HB3 ALA 66 HB3 ALA 66 9.457 0.258 -3.163
377 H TRP 67 HN TRP 67 7.569 -1.401 -0.839
378 HA TRP 67 HA TRP 67 7.015 -3.791 -2.435
379 HB2 TRP 67 HB2 TRP 67 5.556 -2.477 -0.139
380 HB3 TRP 67 HB1 TRP 67 4.825 -3.753 -1.105
381 HD1 TRP 67 HD1 TRP 67 7.951 -3.241 1.144
382 HE1 TRP 67 HE1 TRP 67 8.499 -5.493 2.260
383 HE3 TRP 67 HE3 TRP 67 4.417 -6.161 -1.123
384 HZ2 TRP 67 HZ2 TRP 67 7.563 -8.149 2.189
385 HZ3 TRP 67 HZ3 TRP 67 4.314 -8.549 -0.541
386 HH2 TRP 67 HH2 TRP 67 5.852 -9.519 1.079
387 H GLU 68 HN GLU 68 4.961 -3.856 -3.613
388 HA GLU 68 HA GLU 68 3.865 -1.239 -4.313
389 HB2 GLU 68 HB2 GLU 68 4.002 -1.616 -6.669
390 HB3 GLU 68 HB1 GLU 68 5.613 -1.872 -6.013
391 HG2 GLU 68 HG2 GLU 68 5.270 -4.280 -6.090
392 HG3 GLU 68 HG1 GLU 68 3.641 -4.028 -6.720
393 H ILE 69 HN ILE 69 1.760 -1.362 -5.221
394 HA ILE 69 HA ILE 69 0.266 -3.622 -4.191
395 HB ILE 69 HB ILE 69 -0.477 -1.284 -3.796
396 HG12 ILE 69 HG12 ILE 69 -2.355 -3.051 -5.371
397 HG13 ILE 69 HG11 ILE 69 -2.076 -3.112 -3.636
398 HG21 ILE 69 HG21 ILE 69 -1.533 -0.033 -5.615
399 HG22 ILE 69 HG22 ILE 69 -1.042 -1.288 -6.753
400 HG23 ILE 69 HG23 ILE 69 0.179 -0.321 -5.926
401 HD11 ILE 69 HD11 ILE 69 -3.317 -0.830 -5.143
402 HD12 ILE 69 HD12 ILE 69 -3.046 -0.897 -3.400
403 HD13 ILE 69 HD13 ILE 69 -4.171 -2.022 -4.163
404 H THR 70 HN THR 70 -1.053 -4.953 -5.406
405 HA THR 70 HA THR 70 -0.511 -5.114 -8.244
406 HB THR 70 HB THR 70 -1.957 -7.127 -8.163
407 HG1 THR 70 HG1 THR 70 -3.356 -7.165 -6.571
408 HG21 THR 70 HG21 THR 70 0.431 -7.371 -7.712
409 HG22 THR 70 HG22 THR 70 -0.501 -8.501 -6.729
410 HG23 THR 70 HG23 THR 70 0.156 -7.033 -6.003
411 H ALA 71 HN ALA 71 -2.345 -5.170 -9.809
412 HA ALA 71 HA ALA 71 -3.869 -2.866 -9.726
413 HB1 ALA 71 HB1 ALA 71 -4.538 -5.393 -11.229
414 HB2 ALA 71 HB2 ALA 71 -3.402 -4.154 -11.764
415 HB3 ALA 71 HB3 ALA 71 -5.116 -3.768 -11.602
416 H SER 72 HN SER 72 -4.696 -6.086 -8.646
417 HA SER 72 HA SER 72 -7.453 -5.744 -8.288
418 HB2 SER 72 HB2 SER 72 -6.982 -7.708 -6.594
419 HB3 SER 72 HB1 SER 72 -6.791 -7.955 -8.329
420 HG SER 72 HG SER 72 -4.758 -8.322 -8.000
421 H GLY 73 HN GLY 73 -4.742 -4.925 -6.177
422 HA2 GLY 73 HA2 GLY 73 -6.081 -5.141 -3.717
423 HA3 GLY 73 HA1 GLY 73 -4.642 -4.181 -4.015
424 H THR 74 HN THR 74 -5.870 -2.534 -6.022
425 HA THR 74 HA THR 74 -6.592 -0.393 -4.392
426 HB THR 74 HB THR 74 -7.211 -0.692 -7.332
427 HG1 THR 74 HG1 THR 74 -4.837 -0.682 -6.015
428 HG21 THR 74 HG21 THR 74 -6.612 1.734 -5.632
429 HG22 THR 74 HG22 THR 74 -8.184 1.298 -6.300
430 HG23 THR 74 HG23 THR 74 -6.859 1.742 -7.378
431 H ARG 75 HN ARG 75 -8.603 -2.821 -5.959
432 HA ARG 75 HA ARG 75 -10.968 -1.198 -5.945
433 HB2 ARG 75 HB2 ARG 75 -10.771 -4.192 -6.276
434 HB3 ARG 75 HB1 ARG 75 -12.107 -3.161 -6.763
435 HG2 ARG 75 HG2 ARG 75 -10.705 -2.097 -8.437
436 HG3 ARG 75 HG1 ARG 75 -9.333 -3.087 -7.929
437 HD2 ARG 75 HD2 ARG 75 -10.695 -5.109 -8.484
438 HD3 ARG 75 HD1 ARG 75 -11.911 -4.031 -9.167
439 HE ARG 75 HE ARG 75 -9.550 -3.355 -10.407
440 HH11 ARG 75 HH11 ARG 75 -11.532 -6.221 -10.112
441 HH12 ARG 75 HH12 ARG 75 -11.019 -6.887 -11.630
442 HH21 ARG 75 HH21 ARG 75 -8.868 -4.221 -12.402
443 HH22 ARG 75 HH22 ARG 75 -9.514 -5.737 -12.942
444 H PHE 76 HN PHE 76 -10.119 -4.186 -4.157
445 HA PHE 76 HA PHE 76 -12.462 -3.940 -2.541
446 HB2 PHE 76 HB2 PHE 76 -11.361 -5.882 -1.242
447 HB3 PHE 76 HB1 PHE 76 -11.946 -6.150 -2.870
448 HD1 PHE 76 HD1 PHE 76 -8.925 -5.552 -0.864
449 HD2 PHE 76 HD2 PHE 76 -10.496 -6.920 -4.571
450 HE1 PHE 76 HE1 PHE 76 -6.705 -6.388 -1.489
451 HE2 PHE 76 HE2 PHE 76 -8.274 -7.770 -5.202
452 HZ PHE 76 HZ PHE 76 -6.436 -7.626 -3.697
453 H LEU 77 HN LEU 77 -9.029 -3.449 -1.918
454 HA LEU 77 HA LEU 77 -9.379 -3.266 0.879
455 HB2 LEU 77 HB2 LEU 77 -7.212 -3.691 0.746
456 HB3 LEU 77 HB1 LEU 77 -7.213 -3.328 -0.971
457 HG LEU 77 HG LEU 77 -7.163 -0.983 0.804
458 HD11 LEU 77 HD11 LEU 77 -4.769 -1.229 1.262
459 HD12 LEU 77 HD12 LEU 77 -4.808 -2.851 0.573
460 HD13 LEU 77 HD13 LEU 77 -5.712 -2.496 2.044
461 HD21 LEU 77 HD21 LEU 77 -5.557 -1.811 -1.610
462 HD22 LEU 77 HD22 LEU 77 -5.525 -0.224 -0.841
463 HD23 LEU 77 HD23 LEU 77 -6.999 -0.795 -1.623
464 H LYS 78 HN LYS 78 -9.117 -0.784 -1.649
465 HA LYS 78 HA LYS 78 -8.871 1.383 0.170
466 HB2 LYS 78 HB2 LYS 78 -8.170 1.542 -2.181
467 HB3 LYS 78 HB1 LYS 78 -9.851 1.412 -2.684
468 HG2 LYS 78 HG2 LYS 78 -10.320 3.496 -1.393
469 HG3 LYS 78 HG1 LYS 78 -8.584 3.646 -1.118
470 HD2 LYS 78 HD2 LYS 78 -9.276 5.024 -2.994
471 HD3 LYS 78 HD1 LYS 78 -8.213 3.725 -3.534
472 HE2 LYS 78 HE2 LYS 78 -10.043 2.478 -4.406
473 HE3 LYS 78 HE1 LYS 78 -11.216 3.542 -3.634
474 HZ1 LYS 78 HZ1 LYS 78 -10.986 3.959 -6.019
475 HZ2 LYS 78 HZ2 LYS 78 -9.358 4.355 -5.799
476 HZ3 LYS 78 HZ3 LYS 78 -10.561 5.315 -5.102
477 H ARG 79 HN ARG 79 -11.582 -0.354 -1.124
478 HA ARG 79 HA ARG 79 -13.515 1.684 -0.541
479 HB2 ARG 79 HB2 ARG 79 -15.139 0.233 -1.399
480 HB3 ARG 79 HB1 ARG 79 -13.698 -0.150 -2.328
481 HG2 ARG 79 HG2 ARG 79 -13.316 -2.035 -0.684
482 HG3 ARG 79 HG1 ARG 79 -14.954 -1.726 -0.109
483 HD2 ARG 79 HD2 ARG 79 -14.124 -2.512 -2.901
484 HD3 ARG 79 HD1 ARG 79 -15.004 -3.505 -1.742
485 HE ARG 79 HE ARG 79 -16.329 -1.035 -2.413
486 HH11 ARG 79 HH11 ARG 79 -15.901 -4.408 -3.288
487 HH12 ARG 79 HH12 ARG 79 -17.385 -4.488 -4.178
488 HH21 ARG 79 HH21 ARG 79 -18.256 -1.140 -3.603
489 HH22 ARG 79 HH22 ARG 79 -18.721 -2.627 -4.366
490 H MET 80 HN MET 80 -11.870 -0.600 1.315
491 HA MET 80 HA MET 80 -13.902 -1.194 3.244
492 HB2 MET 80 HB2 MET 80 -10.892 -1.407 3.448
493 HB3 MET 80 HB1 MET 80 -12.032 -2.074 4.604
494 HG2 MET 80 HG2 MET 80 -12.889 -3.593 2.940
495 HG3 MET 80 HG1 MET 80 -11.853 -2.870 1.710
496 HE1 MET 80 HE1 MET 80 -10.234 -6.398 2.225
497 HE2 MET 80 HE2 MET 80 -10.894 -5.257 1.054
498 HE3 MET 80 HE3 MET 80 -11.949 -5.994 2.259
499 H GLY 81 HN GLY 81 -12.842 1.705 2.568
500 HA2 GLY 81 HA2 GLY 81 -13.356 3.538 4.053
501 HA3 GLY 81 HA1 GLY 81 -12.810 2.541 5.395
502 H GLY 82 HN GLY 82 -11.246 3.145 2.274
503 HA2 GLY 82 HA2 GLY 82 -8.691 3.444 3.397
504 HA3 GLY 82 HA1 GLY 82 -9.148 3.913 1.769
505 H CYS 83 HN CYS 83 -8.162 4.954 4.777
506 HA CYS 83 HA CYS 83 -7.703 6.957 5.699
507 HB2 CYS 83 HB2 CYS 83 -6.810 7.662 3.589
508 HB3 CYS 83 HB1 CYS 83 -8.417 8.004 2.957
509 HG CYS 83 HG CYS 83 -7.912 9.761 5.696
510 H VAL 84 HN VAL 84 -10.584 7.444 3.652
511 HA VAL 84 HA VAL 84 -12.645 8.256 4.077
512 HB VAL 84 HB VAL 84 -12.040 7.589 6.966
513 HG11 VAL 84 HG11 VAL 84 -13.846 9.218 6.784
514 HG12 VAL 84 HG12 VAL 84 -14.471 7.643 7.279
515 HG13 VAL 84 HG13 VAL 84 -14.670 8.188 5.613
516 HG21 VAL 84 HG21 VAL 84 -13.391 5.579 6.532
517 HG22 VAL 84 HG22 VAL 84 -11.944 5.633 5.525
518 HG23 VAL 84 HG23 VAL 84 -13.514 6.041 4.834
Start of MODEL 2
1 H1 MET 16 HT1 MET 16 -6.492 0.946 10.609
2 H2 MET 16 HT2 MET 16 -4.938 1.402 10.142
3 H3 MET 16 HT3 MET 16 -5.183 -0.074 10.926
4 HA MET 16 HA MET 16 -4.841 -0.481 8.602
5 HB2 MET 16 HB2 MET 16 -7.765 -0.784 9.329
6 HB3 MET 16 HB1 MET 16 -6.912 -1.681 8.083
7 HG2 MET 16 HG2 MET 16 -5.483 -2.692 9.779
8 HG3 MET 16 HG1 MET 16 -6.327 -1.785 11.031
9 HE1 MET 16 HE1 MET 16 -5.981 -4.861 11.309
10 HE2 MET 16 HE2 MET 16 -7.606 -5.375 11.758
11 HE3 MET 16 HE3 MET 16 -6.926 -3.899 12.443
12 H SER 17 HN SER 17 -7.244 2.004 9.257
13 HA SER 17 HA SER 17 -8.221 2.384 6.674
14 HB2 SER 17 HB2 SER 17 -7.871 4.473 8.833
15 HB3 SER 17 HB1 SER 17 -8.985 4.554 7.468
16 HG SER 17 HG SER 17 -10.006 3.842 9.396
17 H ASP 18 HN ASP 18 -5.416 3.857 8.280
18 HA ASP 18 HA ASP 18 -4.754 5.631 6.165
19 HB2 ASP 18 HB2 ASP 18 -2.937 4.403 8.253
20 HB3 ASP 18 HB1 ASP 18 -2.536 5.779 7.237
21 H TYR 19 HN TYR 19 -3.846 2.366 6.987
22 HA TYR 19 HA TYR 19 -1.755 1.999 5.170
23 HB2 TYR 19 HB2 TYR 19 -1.646 0.153 6.451
24 HB3 TYR 19 HB1 TYR 19 -3.294 0.387 7.009
25 HD1 TYR 19 HD1 TYR 19 -4.887 -1.204 6.495
26 HD2 TYR 19 HD2 TYR 19 -1.416 -0.928 4.051
27 HE1 TYR 19 HE1 TYR 19 -5.625 -3.173 5.228
28 HE2 TYR 19 HE2 TYR 19 -2.149 -2.892 2.786
29 HH TYR 19 HH TYR 19 -3.684 -4.442 2.541
30 H LEU 20 HN LEU 20 -5.228 1.638 4.812
31 HA LEU 20 HA LEU 20 -5.388 0.062 2.567
32 HB2 LEU 20 HB2 LEU 20 -7.152 2.419 3.212
33 HB3 LEU 20 HB1 LEU 20 -7.557 1.095 2.135
34 HG LEU 20 HG LEU 20 -7.088 0.835 5.109
35 HD11 LEU 20 HD11 LEU 20 -9.142 2.015 4.668
36 HD12 LEU 20 HD12 LEU 20 -9.501 0.373 5.202
37 HD13 LEU 20 HD13 LEU 20 -9.626 0.792 3.494
38 HD21 LEU 20 HD21 LEU 20 -7.987 -1.437 4.797
39 HD22 LEU 20 HD22 LEU 20 -6.458 -1.188 3.957
40 HD23 LEU 20 HD23 LEU 20 -7.973 -1.181 3.052
41 H LYS 21 HN LYS 21 -5.041 3.602 2.658
42 HA LYS 21 HA LYS 21 -4.974 3.682 -0.223
43 HB2 LYS 21 HB2 LYS 21 -4.613 5.871 1.813
44 HB3 LYS 21 HB1 LYS 21 -4.630 6.116 0.070
45 HG2 LYS 21 HG2 LYS 21 -6.919 5.018 0.089
46 HG3 LYS 21 HG1 LYS 21 -6.874 5.196 1.844
47 HD2 LYS 21 HD2 LYS 21 -8.057 7.071 0.939
48 HD3 LYS 21 HD1 LYS 21 -6.487 7.643 1.506
49 HE2 LYS 21 HE2 LYS 21 -5.633 7.585 -0.780
50 HE3 LYS 21 HE1 LYS 21 -7.181 6.972 -1.354
51 HZ1 LYS 21 HZ1 LYS 21 -8.222 9.029 -0.615
52 HZ2 LYS 21 HZ2 LYS 21 -6.985 9.346 -1.722
53 HZ3 LYS 21 HZ3 LYS 21 -6.730 9.610 -0.072
54 H VAL 22 HN VAL 22 -2.660 3.263 2.241
55 HA VAL 22 HA VAL 22 -0.442 4.653 1.356
56 HB VAL 22 HB VAL 22 -0.699 2.003 2.756
57 HG11 VAL 22 HG11 VAL 22 1.920 3.384 2.158
58 HG12 VAL 22 HG12 VAL 22 1.362 1.899 1.388
59 HG13 VAL 22 HG13 VAL 22 1.691 1.920 3.120
60 HG21 VAL 22 HG21 VAL 22 0.286 3.298 4.614
61 HG22 VAL 22 HG22 VAL 22 -1.238 3.972 4.035
62 HG23 VAL 22 HG23 VAL 22 0.289 4.728 3.579
63 H LEU 23 HN LEU 23 -1.173 1.251 0.493
64 HA LEU 23 HA LEU 23 0.885 1.239 -1.467
65 HB2 LEU 23 HB2 LEU 23 -0.768 -0.899 -2.091
66 HB3 LEU 23 HB1 LEU 23 0.712 -0.931 -1.160
67 HG LEU 23 HG LEU 23 -0.689 -0.576 0.900
68 HD11 LEU 23 HD11 LEU 23 -3.065 -1.149 0.724
69 HD12 LEU 23 HD12 LEU 23 -2.930 -1.141 -1.033
70 HD13 LEU 23 HD13 LEU 23 -2.678 0.348 -0.120
71 HD21 LEU 23 HD21 LEU 23 -1.470 -2.925 0.936
72 HD22 LEU 23 HD22 LEU 23 0.179 -2.751 0.341
73 HD23 LEU 23 HD23 LEU 23 -1.142 -3.030 -0.792
74 H GLN 24 HN GLN 24 -2.663 1.511 -1.741
75 HA GLN 24 HA GLN 24 -2.539 1.236 -4.579
76 HB2 GLN 24 HB2 GLN 24 -4.932 1.706 -4.579
77 HB3 GLN 24 HB1 GLN 24 -4.496 0.441 -3.453
78 HG2 GLN 24 HG2 GLN 24 -6.027 1.668 -2.251
79 HG3 GLN 24 HG1 GLN 24 -4.500 2.347 -1.696
80 HE21 GLN 24 HE21 GLN 24 -5.887 3.048 -4.837
81 HE22 GLN 24 HE22 GLN 24 -6.280 4.696 -4.505
82 H ALA 25 HN ALA 25 -2.404 3.984 -2.461
83 HA ALA 25 HA ALA 25 -3.513 5.922 -4.128
84 HB1 ALA 25 HB1 ALA 25 -2.357 7.566 -2.828
85 HB2 ALA 25 HB2 ALA 25 -1.228 6.352 -2.229
86 HB3 ALA 25 HB3 ALA 25 -2.929 6.281 -1.763
87 H ILE 26 HN ILE 26 -0.036 5.089 -3.813
88 HA ILE 26 HA ILE 26 0.917 6.763 -5.784
89 HB ILE 26 HB ILE 26 2.432 5.511 -4.371
90 HG12 ILE 26 HG12 ILE 26 2.787 4.812 -7.292
91 HG13 ILE 26 HG11 ILE 26 3.302 6.303 -6.513
92 HG21 ILE 26 HG21 ILE 26 1.221 3.439 -4.151
93 HG22 ILE 26 HG22 ILE 26 2.849 3.110 -4.745
94 HG23 ILE 26 HG23 ILE 26 1.481 3.070 -5.857
95 HD11 ILE 26 HD11 ILE 26 4.350 3.551 -5.911
96 HD12 ILE 26 HD12 ILE 26 4.874 5.051 -5.145
97 HD13 ILE 26 HD13 ILE 26 5.165 4.791 -6.865
98 H LYS 27 HN LYS 27 -0.825 3.764 -6.137
99 HA LYS 27 HA LYS 27 -0.325 3.487 -8.940
100 HB2 LYS 27 HB2 LYS 27 -0.880 1.417 -8.250
101 HB3 LYS 27 HB1 LYS 27 -1.776 2.020 -6.864
102 HG2 LYS 27 HG2 LYS 27 -3.745 2.294 -8.140
103 HG3 LYS 27 HG1 LYS 27 -2.878 2.053 -9.660
104 HD2 LYS 27 HD2 LYS 27 -2.457 -0.264 -9.077
105 HD3 LYS 27 HD1 LYS 27 -3.218 -0.027 -7.501
106 HE2 LYS 27 HE2 LYS 27 -4.765 -1.116 -9.014
107 HE3 LYS 27 HE1 LYS 27 -5.338 0.500 -8.618
108 HZ1 LYS 27 HZ1 LYS 27 -4.491 1.287 -10.734
109 HZ2 LYS 27 HZ2 LYS 27 -5.583 0.022 -10.973
110 HZ3 LYS 27 HZ3 LYS 27 -3.923 -0.258 -11.117
111 H SER 28 HN SER 28 -3.079 4.670 -7.007
112 HA SER 28 HA SER 28 -4.495 5.277 -9.487
113 HB2 SER 28 HB2 SER 28 -5.440 5.262 -6.619
114 HB3 SER 28 HB1 SER 28 -6.463 5.594 -8.019
115 HG SER 28 HG SER 28 -5.297 3.392 -8.643
116 H CYS 29 HN CYS 29 -3.546 7.012 -6.497
117 HA CYS 29 HA CYS 29 -3.766 9.530 -7.955
118 HB2 CYS 29 HB2 CYS 29 -6.004 9.153 -6.987
119 HB3 CYS 29 HB1 CYS 29 -5.285 9.000 -5.390
120 HG CYS 29 HG CYS 29 -5.548 11.812 -7.304
121 HA PRO 30 HA PRO 30 -0.026 9.900 -5.599
122 HB2 PRO 30 HB2 PRO 30 0.763 12.309 -6.520
123 HB3 PRO 30 HB1 PRO 30 0.827 10.846 -7.508
124 HG2 PRO 30 HG2 PRO 30 -1.227 13.026 -7.481
125 HG3 PRO 30 HG1 PRO 30 -0.477 12.215 -8.869
126 HD2 PRO 30 HD2 PRO 30 -2.945 11.566 -7.938
127 HD3 PRO 30 HD1 PRO 30 -1.867 10.389 -8.712
128 H LYS 31 HN LYS 31 -2.627 10.855 -4.366
129 HA LYS 31 HA LYS 31 -1.876 13.186 -2.847
130 HB2 LYS 31 HB2 LYS 31 -4.252 12.601 -3.281
131 HB3 LYS 31 HB1 LYS 31 -4.053 11.141 -2.325
132 HG2 LYS 31 HG2 LYS 31 -3.608 12.483 -0.342
133 HG3 LYS 31 HG1 LYS 31 -3.771 13.957 -1.294
134 HD2 LYS 31 HD2 LYS 31 -5.944 11.901 -0.890
135 HD3 LYS 31 HD1 LYS 31 -5.806 13.418 -0.001
136 HE2 LYS 31 HE2 LYS 31 -6.162 13.154 -2.985
137 HE3 LYS 31 HE1 LYS 31 -7.431 13.558 -1.835
138 HZ1 LYS 31 HZ1 LYS 31 -6.220 15.567 -1.253
139 HZ2 LYS 31 HZ2 LYS 31 -6.553 15.530 -2.911
140 HZ3 LYS 31 HZ3 LYS 31 -4.996 15.179 -2.353
141 H THR 32 HN THR 32 -1.642 9.757 -2.621
142 HA THR 32 HA THR 32 0.186 10.015 -0.349
143 HB THR 32 HB THR 32 -1.834 7.765 -0.597
144 HG1 THR 32 HG1 THR 32 -1.959 10.257 0.719
145 HG21 THR 32 HG21 THR 32 0.112 7.117 0.679
146 HG22 THR 32 HG22 THR 32 -1.231 7.379 1.792
147 HG23 THR 32 HG23 THR 32 0.029 8.602 1.628
148 H PHE 33 HN PHE 33 1.615 7.933 -0.293
149 HA PHE 33 HA PHE 33 1.816 6.662 -2.886
150 HB2 PHE 33 HB2 PHE 33 4.066 7.336 -3.315
151 HB3 PHE 33 HB1 PHE 33 3.127 8.797 -3.040
152 HD1 PHE 33 HD1 PHE 33 6.124 7.201 -2.308
153 HD2 PHE 33 HD2 PHE 33 3.096 9.562 -0.476
154 HE1 PHE 33 HE1 PHE 33 7.722 7.897 -0.575
155 HE2 PHE 33 HE2 PHE 33 4.692 10.268 1.258
156 HZ PHE 33 HZ PHE 33 7.008 9.434 1.210
157 H GLN 34 HN GLN 34 3.695 5.076 -2.852
158 HA GLN 34 HA GLN 34 3.717 3.840 -0.191
159 HB2 GLN 34 HB2 GLN 34 2.203 2.680 -1.671
160 HB3 GLN 34 HB1 GLN 34 3.458 2.514 -2.885
161 HG2 GLN 34 HG2 GLN 34 4.749 1.136 -1.306
162 HG3 GLN 34 HG1 GLN 34 3.411 1.249 -0.165
163 HE21 GLN 34 HE21 GLN 34 3.194 -1.002 -0.194
164 HE22 GLN 34 HE22 GLN 34 2.455 -1.823 -1.520
165 H SER 35 HN SER 35 5.601 4.624 -3.022
166 HA SER 35 HA SER 35 7.615 2.834 -3.106
167 HB2 SER 35 HB2 SER 35 7.842 5.827 -3.404
168 HB3 SER 35 HB1 SER 35 9.078 4.679 -3.925
169 HG SER 35 HG SER 35 7.603 5.319 -5.607
170 H ASN 36 HN ASN 36 8.396 5.913 -1.467
171 HA ASN 36 HA ASN 36 10.410 4.513 0.077
172 HB2 ASN 36 HB2 ASN 36 9.647 7.425 -0.151
173 HB3 ASN 36 HB1 ASN 36 10.844 6.854 1.006
174 HD21 ASN 36 HD21 ASN 36 12.424 8.109 -0.001
175 HD22 ASN 36 HD22 ASN 36 13.140 7.635 -1.504
176 H TYR 37 HN TYR 37 7.212 5.221 0.348
177 HA TYR 37 HA TYR 37 6.930 5.886 3.084
178 HB2 TYR 37 HB2 TYR 37 5.279 5.979 1.003
179 HB3 TYR 37 HB1 TYR 37 4.801 4.399 1.615
180 HD1 TYR 37 HD1 TYR 37 3.480 4.191 3.606
181 HD2 TYR 37 HD2 TYR 37 4.960 7.991 2.398
182 HE1 TYR 37 HE1 TYR 37 1.977 5.286 5.218
183 HE2 TYR 37 HE2 TYR 37 3.467 9.093 4.005
184 HH TYR 37 HH TYR 37 1.910 7.493 6.482
185 H VAL 38 HN VAL 38 7.171 2.884 1.319
186 HA VAL 38 HA VAL 38 6.217 1.067 3.202
187 HB VAL 38 HB VAL 38 8.339 0.771 1.080
188 HG11 VAL 38 HG11 VAL 38 7.051 -1.450 2.666
189 HG12 VAL 38 HG12 VAL 38 8.701 -0.874 2.902
190 HG13 VAL 38 HG13 VAL 38 8.238 -1.615 1.371
191 HG21 VAL 38 HG21 VAL 38 6.006 1.213 0.381
192 HG22 VAL 38 HG22 VAL 38 5.515 -0.260 1.218
193 HG23 VAL 38 HG23 VAL 38 6.612 -0.351 -0.157
194 H ARG 39 HN ARG 39 9.525 2.312 2.779
195 HA ARG 39 HA ARG 39 10.656 0.637 4.756
196 HB2 ARG 39 HB2 ARG 39 11.630 2.389 2.866
197 HB3 ARG 39 HB1 ARG 39 12.016 3.193 4.377
198 HG2 ARG 39 HG2 ARG 39 13.897 1.892 3.813
199 HG3 ARG 39 HG1 ARG 39 13.085 1.045 5.128
200 HD2 ARG 39 HD2 ARG 39 12.692 0.371 2.212
201 HD3 ARG 39 HD1 ARG 39 13.897 -0.405 3.236
202 HE ARG 39 HE ARG 39 10.985 -0.579 3.670
203 HH11 ARG 39 HH11 ARG 39 14.209 -1.945 3.907
204 HH12 ARG 39 HH12 ARG 39 13.653 -3.457 4.543
205 HH21 ARG 39 HH21 ARG 39 10.266 -2.589 4.519
206 HH22 ARG 39 HH22 ARG 39 11.427 -3.822 4.886
207 H ASN 40 HN ASN 40 8.968 3.661 4.928
208 HA ASN 40 HA ASN 40 9.772 4.166 7.667
209 HB2 ASN 40 HB2 ASN 40 7.794 5.546 5.849
210 HB3 ASN 40 HB1 ASN 40 8.102 6.044 7.510
211 HD21 ASN 40 HD21 ASN 40 10.065 6.982 8.031
212 HD22 ASN 40 HD22 ASN 40 11.129 7.615 6.822
213 H ASN 41 HN ASN 41 6.940 3.002 5.930
214 HA ASN 41 HA ASN 41 5.647 2.434 8.513
215 HB2 ASN 41 HB2 ASN 41 4.343 3.370 5.949
216 HB3 ASN 41 HB1 ASN 41 3.466 2.823 7.374
217 HD21 ASN 41 HD21 ASN 41 5.405 5.338 5.996
218 HD22 ASN 41 HD22 ASN 41 5.091 6.528 7.209
219 H ALA 42 HN ALA 42 7.179 0.503 7.611
220 HA ALA 42 HA ALA 42 6.130 -1.214 5.652
221 HB1 ALA 42 HB1 ALA 42 7.882 -1.899 8.011
222 HB2 ALA 42 HB2 ALA 42 8.438 -1.354 6.429
223 HB3 ALA 42 HB3 ALA 42 7.620 -2.908 6.589
224 H SER 43 HN SER 43 5.400 -0.842 9.062
225 HA SER 43 HA SER 43 4.056 -3.302 9.422
226 HB2 SER 43 HB2 SER 43 3.386 -0.771 10.914
227 HB3 SER 43 HB1 SER 43 3.305 -2.434 11.485
228 HG SER 43 HG SER 43 5.242 -0.856 11.943
229 H LEU 44 HN LEU 44 3.049 -0.166 8.194
230 HA LEU 44 HA LEU 44 0.268 -0.707 8.113
231 HB2 LEU 44 HB2 LEU 44 1.941 1.135 6.400
232 HB3 LEU 44 HB1 LEU 44 0.191 1.092 6.384
233 HG LEU 44 HG LEU 44 1.979 1.992 8.633
234 HD11 LEU 44 HD11 LEU 44 -0.151 3.403 7.041
235 HD12 LEU 44 HD12 LEU 44 1.589 3.622 6.866
236 HD13 LEU 44 HD13 LEU 44 0.786 4.099 8.362
237 HD21 LEU 44 HD21 LEU 44 0.198 0.709 9.621
238 HD22 LEU 44 HD22 LEU 44 -0.998 1.555 8.641
239 HD23 LEU 44 HD23 LEU 44 -0.103 2.426 9.884
240 H VAL 45 HN VAL 45 2.848 -1.016 5.703
241 HA VAL 45 HA VAL 45 1.173 -1.990 3.636
242 HB VAL 45 HB VAL 45 4.131 -2.540 3.902
243 HG11 VAL 45 HG11 VAL 45 2.349 -2.231 1.493
244 HG12 VAL 45 HG12 VAL 45 2.996 -3.748 2.116
245 HG13 VAL 45 HG13 VAL 45 4.087 -2.527 1.461
246 HG21 VAL 45 HG21 VAL 45 4.555 -0.435 2.804
247 HG22 VAL 45 HG22 VAL 45 3.648 -0.146 4.285
248 HG23 VAL 45 HG23 VAL 45 2.830 -0.089 2.724
249 H ALA 46 HN ALA 46 2.935 -3.534 6.249
250 HA ALA 46 HA ALA 46 2.817 -6.195 5.352
251 HB1 ALA 46 HB1 ALA 46 4.278 -5.501 7.165
252 HB2 ALA 46 HB2 ALA 46 3.214 -6.804 7.697
253 HB3 ALA 46 HB3 ALA 46 2.880 -5.140 8.180
254 H GLU 47 HN GLU 47 0.438 -4.163 6.867
255 HA GLU 47 HA GLU 47 -1.381 -6.052 7.807
256 HB2 GLU 47 HB2 GLU 47 -1.872 -3.341 6.577
257 HB3 GLU 47 HB1 GLU 47 -3.105 -4.289 7.389
258 HG2 GLU 47 HG2 GLU 47 -0.563 -3.314 8.667
259 HG3 GLU 47 HG1 GLU 47 -2.135 -2.531 8.808
260 H ALA 48 HN ALA 48 -0.628 -5.026 4.607
261 HA ALA 48 HA ALA 48 -2.950 -5.634 3.226
262 HB1 ALA 48 HB1 ALA 48 -0.933 -4.414 2.378
263 HB2 ALA 48 HB2 ALA 48 -1.655 -5.568 1.253
264 HB3 ALA 48 HB3 ALA 48 -0.183 -5.993 2.132
265 H ALA 49 HN ALA 49 -0.577 -7.794 4.518
266 HA ALA 49 HA ALA 49 -0.969 -9.996 2.847
267 HB1 ALA 49 HB1 ALA 49 -0.289 -10.002 5.782
268 HB2 ALA 49 HB2 ALA 49 0.861 -9.842 4.456
269 HB3 ALA 49 HB3 ALA 49 -0.050 -11.338 4.657
270 H SER 50 HN SER 50 -2.873 -8.803 5.564
271 HA SER 50 HA SER 50 -4.541 -11.130 5.700
272 HB2 SER 50 HB2 SER 50 -5.992 -9.725 7.158
273 HB3 SER 50 HB1 SER 50 -4.311 -9.761 7.683
274 HG SER 50 HG SER 50 -4.091 -7.703 7.191
275 H ARG 51 HN ARG 51 -4.700 -8.012 4.060
276 HA ARG 51 HA ARG 51 -7.339 -8.328 3.060
277 HB2 ARG 51 HB2 ARG 51 -5.055 -6.528 2.505
278 HB3 ARG 51 HB1 ARG 51 -6.213 -6.724 1.202
279 HG2 ARG 51 HG2 ARG 51 -6.744 -4.777 2.538
280 HG3 ARG 51 HG1 ARG 51 -8.014 -5.988 2.681
281 HD2 ARG 51 HD2 ARG 51 -5.843 -6.016 4.707
282 HD3 ARG 51 HD1 ARG 51 -7.018 -4.701 4.787
283 HE ARG 51 HE ARG 51 -8.356 -7.180 4.534
284 HH11 ARG 51 HH11 ARG 51 -6.531 -5.323 6.870
285 HH12 ARG 51 HH12 ARG 51 -7.353 -5.993 8.238
286 HH21 ARG 51 HH21 ARG 51 -9.440 -8.063 6.320
287 HH22 ARG 51 HH22 ARG 51 -9.010 -7.562 7.924
288 H GLY 52 HN GLY 52 -4.156 -9.298 1.879
289 HA2 GLY 52 HA2 GLY 52 -4.141 -11.545 0.950
290 HA3 GLY 52 HA1 GLY 52 -5.624 -11.145 0.112
291 H HIS 53 HN HIS 53 -3.536 -8.495 -0.166
292 HA HIS 53 HA HIS 53 -2.204 -9.625 -2.499
293 HB2 HIS 53 HB2 HIS 53 -4.466 -7.739 -2.651
294 HB3 HIS 53 HB1 HIS 53 -3.087 -7.358 -3.677
295 HD1 HIS 53 HD1 HIS 53 -5.977 -9.638 -3.383
296 HD2 HIS 53 HD2 HIS 53 -2.479 -9.375 -5.619
297 HE1 HIS 53 HE1 HIS 53 -6.281 -11.226 -5.306
298 HE2 HIS 53 HE2 HIS 53 -4.080 -11.187 -6.532
299 H ILE 54 HN ILE 54 -0.235 -8.975 -2.653
300 HA ILE 54 HA ILE 54 0.513 -6.225 -2.518
301 HB ILE 54 HB ILE 54 2.556 -7.153 -0.960
302 HG12 ILE 54 HG12 ILE 54 0.011 -8.159 0.330
303 HG13 ILE 54 HG11 ILE 54 1.257 -9.186 -0.373
304 HG21 ILE 54 HG21 ILE 54 1.657 -4.966 -0.794
305 HG22 ILE 54 HG22 ILE 54 1.597 -5.706 0.807
306 HG23 ILE 54 HG23 ILE 54 0.128 -5.580 -0.163
307 HD11 ILE 54 HD11 ILE 54 1.570 -7.343 1.982
308 HD12 ILE 54 HD12 ILE 54 2.869 -8.285 1.250
309 HD13 ILE 54 HD13 ILE 54 1.506 -9.105 2.016
310 H SER 55 HN SER 55 2.894 -6.007 -2.956
311 HA SER 55 HA SER 55 4.016 -8.232 -4.435
312 HB2 SER 55 HB2 SER 55 4.242 -6.068 -6.206
313 HB3 SER 55 HB1 SER 55 3.205 -7.485 -6.389
314 HG SER 55 HG SER 55 2.439 -5.188 -4.924
315 H CYS 56 HN CYS 56 6.171 -8.294 -4.100
316 HA CYS 56 HA CYS 56 7.415 -5.906 -2.921
317 HB2 CYS 56 HB2 CYS 56 9.168 -7.544 -2.153
318 HB3 CYS 56 HB1 CYS 56 7.564 -7.805 -1.476
319 HG CYS 56 HG CYS 56 8.613 -10.309 -1.929
320 H ALA 57 HN ALA 57 9.317 -5.054 -3.700
321 HA ALA 57 HA ALA 57 10.172 -6.037 -6.332
322 HB1 ALA 57 HB1 ALA 57 10.705 -3.377 -5.015
323 HB2 ALA 57 HB2 ALA 57 9.504 -3.696 -6.268
324 HB3 ALA 57 HB3 ALA 57 11.222 -3.850 -6.633
325 H THR 58 HN THR 58 12.001 -4.244 -3.845
326 HA THR 58 HA THR 58 13.829 -6.528 -3.737
327 HB THR 58 HB THR 58 14.910 -3.777 -3.342
328 HG1 THR 58 HG1 THR 58 14.116 -4.997 -5.736
329 HG21 THR 58 HG21 THR 58 16.298 -5.685 -2.720
330 HG22 THR 58 HG22 THR 58 16.972 -4.845 -4.116
331 HG23 THR 58 HG23 THR 58 16.102 -6.362 -4.335
332 H THR 59 HN THR 59 12.264 -3.981 -2.049
333 HA THR 59 HA THR 59 11.939 -3.468 0.128
334 HB THR 59 HB THR 59 12.226 -6.400 0.731
335 HG1 THR 59 HG1 THR 59 10.367 -6.795 -0.334
336 HG21 THR 59 HG21 THR 59 10.271 -4.292 1.666
337 HG22 THR 59 HG22 THR 59 11.678 -4.842 2.570
338 HG23 THR 59 HG23 THR 59 10.356 -5.959 2.233
339 H SER 60 HN SER 60 14.776 -3.615 -0.780
340 HA SER 60 HA SER 60 16.293 -4.611 1.422
341 HB2 SER 60 HB2 SER 60 18.151 -3.296 0.177
342 HB3 SER 60 HB1 SER 60 17.427 -4.697 -0.615
343 HG SER 60 HG SER 60 17.513 -2.947 -2.047
344 H GLY 61 HN GLY 61 16.547 -1.338 0.135
345 HA2 GLY 61 HA2 GLY 61 15.864 -0.165 2.708
346 HA3 GLY 61 HA1 GLY 61 17.544 0.007 2.216
347 H ARG 62 HN ARG 62 14.260 0.469 0.969
348 HA ARG 62 HA ARG 62 13.325 2.025 -0.372
349 HB2 ARG 62 HB2 ARG 62 15.674 3.607 0.636
350 HB3 ARG 62 HB1 ARG 62 14.592 4.279 -0.565
351 HG2 ARG 62 HG2 ARG 62 12.716 4.015 0.993
352 HG3 ARG 62 HG1 ARG 62 13.831 3.374 2.204
353 HD2 ARG 62 HD2 ARG 62 15.022 5.442 2.302
354 HD3 ARG 62 HD1 ARG 62 14.140 6.078 0.916
355 HE ARG 62 HE ARG 62 12.577 5.398 3.281
356 HH11 ARG 62 HH11 ARG 62 14.192 7.877 1.411
357 HH12 ARG 62 HH12 ARG 62 13.237 9.171 2.066
358 HH21 ARG 62 HH21 ARG 62 11.311 7.108 4.139
359 HH22 ARG 62 HH22 ARG 62 11.603 8.737 3.597
360 H ASN 63 HN ASN 63 14.178 3.678 -2.314
361 HA ASN 63 HA ASN 63 14.934 3.744 -4.453
362 HB2 ASN 63 HB2 ASN 63 16.987 4.301 -3.246
363 HB3 ASN 63 HB1 ASN 63 17.386 2.595 -3.112
364 HD21 ASN 63 HD21 ASN 63 16.048 4.154 -5.970
365 HD22 ASN 63 HD22 ASN 63 17.447 3.932 -6.962
366 H GLY 64 HN GLY 64 13.294 1.979 -4.821
367 HA2 GLY 64 HA2 GLY 64 12.928 0.229 -6.345
368 HA3 GLY 64 HA1 GLY 64 14.623 -0.219 -6.209
369 H GLY 65 HN GLY 65 14.765 -0.357 -3.389
370 HA2 GLY 65 HA2 GLY 65 13.467 -2.914 -2.965
371 HA3 GLY 65 HA1 GLY 65 14.567 -2.100 -1.853
372 H ALA 66 HN ALA 66 11.357 -1.855 -3.245
373 HA ALA 66 HA ALA 66 10.268 -1.153 -0.615
374 HB1 ALA 66 HB1 ALA 66 8.806 0.505 -1.659
375 HB2 ALA 66 HB2 ALA 66 9.566 0.199 -3.221
376 HB3 ALA 66 HB3 ALA 66 10.503 0.913 -1.910
377 H TRP 67 HN TRP 67 7.806 -1.358 -0.702
378 HA TRP 67 HA TRP 67 7.059 -3.718 -2.264
379 HB2 TRP 67 HB2 TRP 67 5.853 -2.370 0.144
380 HB3 TRP 67 HB1 TRP 67 4.894 -3.470 -0.837
381 HD1 TRP 67 HD1 TRP 67 7.963 -3.461 1.489
382 HE1 TRP 67 HE1 TRP 67 8.322 -5.850 2.364
383 HE3 TRP 67 HE3 TRP 67 4.445 -5.899 -1.313
384 HZ2 TRP 67 HZ2 TRP 67 7.266 -8.419 1.927
385 HZ3 TRP 67 HZ3 TRP 67 4.191 -8.325 -1.020
386 HH2 TRP 67 HH2 TRP 67 5.570 -9.557 0.565
387 H GLU 68 HN GLU 68 5.146 -3.729 -3.474
388 HA GLU 68 HA GLU 68 4.006 -1.132 -4.202
389 HB2 GLU 68 HB2 GLU 68 4.131 -1.661 -6.565
390 HB3 GLU 68 HB1 GLU 68 5.747 -1.732 -5.876
391 HG2 GLU 68 HG2 GLU 68 5.498 -4.193 -5.706
392 HG3 GLU 68 HG1 GLU 68 3.958 -4.042 -6.554
393 H ILE 69 HN ILE 69 1.998 -1.594 -5.649
394 HA ILE 69 HA ILE 69 0.530 -3.771 -4.315
395 HB ILE 69 HB ILE 69 -0.177 -1.479 -3.754
396 HG12 ILE 69 HG12 ILE 69 -2.172 -3.147 -5.299
397 HG13 ILE 69 HG11 ILE 69 -1.803 -3.275 -3.583
398 HG21 ILE 69 HG21 ILE 69 -1.301 -0.097 -5.419
399 HG22 ILE 69 HG22 ILE 69 -0.955 -1.304 -6.656
400 HG23 ILE 69 HG23 ILE 69 0.367 -0.426 -5.888
401 HD11 ILE 69 HD11 ILE 69 -3.129 -0.944 -4.948
402 HD12 ILE 69 HD12 ILE 69 -2.738 -1.041 -3.230
403 HD13 ILE 69 HD13 ILE 69 -3.912 -2.155 -3.931
404 H THR 70 HN THR 70 -0.976 -4.973 -5.500
405 HA THR 70 HA THR 70 -0.544 -5.125 -8.358
406 HB THR 70 HB THR 70 -2.044 -7.071 -8.275
407 HG1 THR 70 HG1 THR 70 -3.490 -7.035 -6.728
408 HG21 THR 70 HG21 THR 70 -0.036 -7.125 -6.017
409 HG22 THR 70 HG22 THR 70 0.331 -7.404 -7.718
410 HG23 THR 70 HG23 THR 70 -0.707 -8.531 -6.845
411 H ALA 71 HN ALA 71 -2.424 -5.048 -9.857
412 HA ALA 71 HA ALA 71 -3.869 -2.694 -9.609
413 HB1 ALA 71 HB1 ALA 71 -3.464 -3.833 -11.738
414 HB2 ALA 71 HB2 ALA 71 -5.169 -3.441 -11.517
415 HB3 ALA 71 HB3 ALA 71 -4.606 -5.095 -11.275
416 H SER 72 HN SER 72 -4.830 -5.996 -8.875
417 HA SER 72 HA SER 72 -7.540 -5.596 -8.391
418 HB2 SER 72 HB2 SER 72 -7.238 -7.712 -6.951
419 HB3 SER 72 HB1 SER 72 -6.820 -7.816 -8.659
420 HG SER 72 HG SER 72 -4.828 -8.202 -8.129
421 H GLY 73 HN GLY 73 -4.797 -4.955 -6.302
422 HA2 GLY 73 HA2 GLY 73 -6.037 -5.412 -3.828
423 HA3 GLY 73 HA1 GLY 73 -4.622 -4.405 -4.089
424 H THR 74 HN THR 74 -6.005 -2.590 -5.888
425 HA THR 74 HA THR 74 -6.695 -0.687 -3.948
426 HB THR 74 HB THR 74 -7.268 -0.632 -6.912
427 HG1 THR 74 HG1 THR 74 -4.964 -0.595 -5.524
428 HG21 THR 74 HG21 THR 74 -7.170 1.821 -6.622
429 HG22 THR 74 HG22 THR 74 -7.048 1.590 -4.877
430 HG23 THR 74 HG23 THR 74 -8.507 1.092 -5.733
431 H ARG 75 HN ARG 75 -8.704 -2.945 -5.763
432 HA ARG 75 HA ARG 75 -11.056 -1.326 -5.584
433 HB2 ARG 75 HB2 ARG 75 -10.688 -4.225 -6.332
434 HB3 ARG 75 HB1 ARG 75 -12.240 -3.406 -6.368
435 HG2 ARG 75 HG2 ARG 75 -11.486 -3.351 -8.576
436 HG3 ARG 75 HG1 ARG 75 -11.141 -1.738 -7.951
437 HD2 ARG 75 HD2 ARG 75 -8.816 -2.407 -7.549
438 HD3 ARG 75 HD1 ARG 75 -9.167 -4.005 -8.199
439 HE ARG 75 HE ARG 75 -9.234 -1.504 -9.763
440 HH11 ARG 75 HH11 ARG 75 -8.869 -4.980 -9.577
441 HH12 ARG 75 HH12 ARG 75 -8.280 -5.128 -11.201
442 HH21 ARG 75 HH21 ARG 75 -8.477 -1.704 -11.910
443 HH22 ARG 75 HH22 ARG 75 -8.056 -3.272 -12.527
444 H PHE 76 HN PHE 76 -10.196 -4.418 -3.985
445 HA PHE 76 HA PHE 76 -12.507 -4.254 -2.308
446 HB2 PHE 76 HB2 PHE 76 -11.246 -6.181 -1.072
447 HB3 PHE 76 HB1 PHE 76 -11.980 -6.443 -2.638
448 HD1 PHE 76 HD1 PHE 76 -8.768 -5.885 -0.908
449 HD2 PHE 76 HD2 PHE 76 -10.713 -7.080 -4.499
450 HE1 PHE 76 HE1 PHE 76 -6.632 -6.746 -1.777
451 HE2 PHE 76 HE2 PHE 76 -8.584 -7.938 -5.373
452 HZ PHE 76 HZ PHE 76 -6.540 -7.774 -4.017
453 H LEU 77 HN LEU 77 -9.113 -3.576 -1.867
454 HA LEU 77 HA LEU 77 -9.262 -3.376 0.948
455 HB2 LEU 77 HB2 LEU 77 -7.110 -3.707 0.601
456 HB3 LEU 77 HB1 LEU 77 -7.245 -3.249 -1.082
457 HG LEU 77 HG LEU 77 -7.262 -0.959 0.714
458 HD11 LEU 77 HD11 LEU 77 -5.817 -2.367 2.049
459 HD12 LEU 77 HD12 LEU 77 -4.863 -1.122 1.245
460 HD13 LEU 77 HD13 LEU 77 -4.856 -2.773 0.628
461 HD21 LEU 77 HD21 LEU 77 -7.003 -0.771 -1.698
462 HD22 LEU 77 HD22 LEU 77 -5.546 -1.763 -1.634
463 HD23 LEU 77 HD23 LEU 77 -5.564 -0.171 -0.874
464 H LYS 78 HN LYS 78 -9.187 -0.801 -1.569
465 HA LYS 78 HA LYS 78 -8.895 1.254 0.375
466 HB2 LYS 78 HB2 LYS 78 -8.191 1.519 -1.987
467 HB3 LYS 78 HB1 LYS 78 -9.885 1.541 -2.465
468 HG2 LYS 78 HG2 LYS 78 -10.209 3.537 -1.024
469 HG3 LYS 78 HG1 LYS 78 -8.475 3.538 -0.709
470 HD2 LYS 78 HD2 LYS 78 -8.585 5.046 -2.430
471 HD3 LYS 78 HD1 LYS 78 -8.328 3.555 -3.334
472 HE2 LYS 78 HE2 LYS 78 -11.066 4.663 -2.768
473 HE3 LYS 78 HE1 LYS 78 -10.134 5.122 -4.190
474 HZ1 LYS 78 HZ1 LYS 78 -11.719 3.323 -4.611
475 HZ2 LYS 78 HZ2 LYS 78 -10.907 2.340 -3.507
476 HZ3 LYS 78 HZ3 LYS 78 -10.124 2.853 -4.917
477 H ARG 79 HN ARG 79 -11.664 -0.308 -1.024
478 HA ARG 79 HA ARG 79 -13.592 1.681 -0.416
479 HB2 ARG 79 HB2 ARG 79 -15.261 -0.018 -0.836
480 HB3 ARG 79 HB1 ARG 79 -13.983 -0.153 -2.039
481 HG2 ARG 79 HG2 ARG 79 -13.022 -2.025 -0.852
482 HG3 ARG 79 HG1 ARG 79 -14.230 -1.862 0.424
483 HD2 ARG 79 HD2 ARG 79 -14.893 -2.400 -2.464
484 HD3 ARG 79 HD1 ARG 79 -14.700 -3.664 -1.252
485 HE ARG 79 HE ARG 79 -16.537 -2.088 -0.107
486 HH11 ARG 79 HH11 ARG 79 -16.314 -3.357 -3.363
487 HH12 ARG 79 HH12 ARG 79 -18.031 -3.477 -3.568
488 HH21 ARG 79 HH21 ARG 79 -18.786 -2.248 -0.369
489 HH22 ARG 79 HH22 ARG 79 -19.443 -2.850 -1.858
490 H MET 80 HN MET 80 -11.870 -0.487 1.548
491 HA MET 80 HA MET 80 -13.809 -0.979 3.566
492 HB2 MET 80 HB2 MET 80 -10.791 -1.037 3.704
493 HB3 MET 80 HB1 MET 80 -11.866 -1.652 4.951
494 HG2 MET 80 HG2 MET 80 -12.713 -3.333 3.451
495 HG3 MET 80 HG1 MET 80 -11.769 -2.666 2.122
496 HE1 MET 80 HE1 MET 80 -10.592 -3.087 5.873
497 HE2 MET 80 HE2 MET 80 -9.900 -4.708 5.820
498 HE3 MET 80 HE3 MET 80 -11.635 -4.482 5.597
499 H GLY 81 HN GLY 81 -12.520 1.880 2.650
500 HA2 GLY 81 HA2 GLY 81 -13.239 3.839 3.914
501 HA3 GLY 81 HA1 GLY 81 -12.815 2.969 5.378
502 H GLY 82 HN GLY 82 -10.973 3.331 2.374
503 HA2 GLY 82 HA2 GLY 82 -8.500 3.685 3.559
504 HA3 GLY 82 HA1 GLY 82 -8.916 4.248 1.950
505 H CYS 83 HN CYS 83 -7.981 5.107 5.019
506 HA CYS 83 HA CYS 83 -7.658 7.028 6.153
507 HB2 CYS 83 HB2 CYS 83 -7.778 8.191 3.372
508 HB3 CYS 83 HB1 CYS 83 -7.189 9.050 4.790
509 HG CYS 83 HG CYS 83 -5.002 7.403 5.206
510 H VAL 84 HN VAL 84 -10.512 6.199 5.523
511 HA VAL 84 HA VAL 84 -11.681 8.731 6.417
512 HB VAL 84 HB VAL 84 -13.821 8.084 5.178
513 HG11 VAL 84 HG11 VAL 84 -13.046 9.154 3.091
514 HG12 VAL 84 HG12 VAL 84 -11.382 8.972 3.646
515 HG13 VAL 84 HG13 VAL 84 -12.505 9.997 4.542
516 HG21 VAL 84 HG21 VAL 84 -13.541 6.785 3.129
517 HG22 VAL 84 HG22 VAL 84 -13.188 5.809 4.554
518 HG23 VAL 84 HG23 VAL 84 -11.869 6.439 3.569
Start of MODEL 3
1 H1 MET 16 HT1 MET 16 -6.257 0.803 10.827
2 H2 MET 16 HT2 MET 16 -4.745 1.392 10.355
3 H3 MET 16 HT3 MET 16 -4.878 -0.157 11.018
4 HA MET 16 HA MET 16 -4.582 -0.300 8.644
5 HB2 MET 16 HB2 MET 16 -7.379 -1.000 9.557
6 HB3 MET 16 HB1 MET 16 -6.618 -1.609 8.096
7 HG2 MET 16 HG2 MET 16 -6.456 -3.304 9.735
8 HG3 MET 16 HG1 MET 16 -4.845 -2.618 9.538
9 HE1 MET 16 HE1 MET 16 -5.652 -4.457 11.997
10 HE2 MET 16 HE2 MET 16 -4.910 -3.575 13.332
11 HE3 MET 16 HE3 MET 16 -4.052 -3.745 11.799
12 H SER 17 HN SER 17 -6.663 2.191 9.659
13 HA SER 17 HA SER 17 -8.262 2.532 7.377
14 HB2 SER 17 HB2 SER 17 -7.377 4.639 9.358
15 HB3 SER 17 HB1 SER 17 -8.799 4.706 8.312
16 HG SER 17 HG SER 17 -9.839 3.428 9.635
17 H ASP 18 HN ASP 18 -5.247 4.228 8.321
18 HA ASP 18 HA ASP 18 -5.127 5.703 5.878
19 HB2 ASP 18 HB2 ASP 18 -3.221 5.265 8.144
20 HB3 ASP 18 HB1 ASP 18 -2.640 5.991 6.649
21 H TYR 19 HN TYR 19 -3.737 2.712 7.040
22 HA TYR 19 HA TYR 19 -1.831 2.187 5.132
23 HB2 TYR 19 HB2 TYR 19 -1.721 0.419 6.521
24 HB3 TYR 19 HB1 TYR 19 -3.394 0.619 7.024
25 HD1 TYR 19 HD1 TYR 19 -4.989 -0.979 6.388
26 HD2 TYR 19 HD2 TYR 19 -1.326 -0.721 4.235
27 HE1 TYR 19 HE1 TYR 19 -5.551 -3.035 5.190
28 HE2 TYR 19 HE2 TYR 19 -1.892 -2.781 3.027
29 HH TYR 19 HH TYR 19 -4.909 -4.516 3.713
30 H LEU 20 HN LEU 20 -5.325 1.901 4.848
31 HA LEU 20 HA LEU 20 -5.571 0.233 2.679
32 HB2 LEU 20 HB2 LEU 20 -7.237 2.688 3.202
33 HB3 LEU 20 HB1 LEU 20 -7.691 1.320 2.202
34 HG LEU 20 HG LEU 20 -7.232 1.210 5.184
35 HD11 LEU 20 HD11 LEU 20 -9.218 2.480 4.624
36 HD12 LEU 20 HD12 LEU 20 -9.659 0.917 5.310
37 HD13 LEU 20 HD13 LEU 20 -9.773 1.182 3.570
38 HD21 LEU 20 HD21 LEU 20 -6.709 -0.903 4.103
39 HD22 LEU 20 HD22 LEU 20 -8.251 -0.868 3.249
40 HD23 LEU 20 HD23 LEU 20 -8.219 -1.030 5.004
41 H LYS 21 HN LYS 21 -5.059 3.746 2.628
42 HA LYS 21 HA LYS 21 -5.078 3.743 -0.257
43 HB2 LYS 21 HB2 LYS 21 -4.569 5.949 1.726
44 HB3 LYS 21 HB1 LYS 21 -4.575 6.164 -0.019
45 HG2 LYS 21 HG2 LYS 21 -6.922 5.348 -0.063
46 HG3 LYS 21 HG1 LYS 21 -6.890 5.297 1.702
47 HD2 LYS 21 HD2 LYS 21 -7.921 7.361 0.927
48 HD3 LYS 21 HD1 LYS 21 -6.403 7.704 1.757
49 HE2 LYS 21 HE2 LYS 21 -5.277 7.859 -0.443
50 HE3 LYS 21 HE1 LYS 21 -6.833 7.604 -1.230
51 HZ1 LYS 21 HZ1 LYS 21 -6.151 9.873 0.560
52 HZ2 LYS 21 HZ2 LYS 21 -7.638 9.635 -0.210
53 HZ3 LYS 21 HZ3 LYS 21 -6.253 9.941 -1.127
54 H VAL 22 HN VAL 22 -2.720 3.262 2.155
55 HA VAL 22 HA VAL 22 -0.496 4.647 1.294
56 HB VAL 22 HB VAL 22 -0.752 1.957 2.623
57 HG11 VAL 22 HG11 VAL 22 1.833 3.395 2.026
58 HG12 VAL 22 HG12 VAL 22 1.313 1.862 1.325
59 HG13 VAL 22 HG13 VAL 22 1.655 1.970 3.052
60 HG21 VAL 22 HG21 VAL 22 -1.331 3.878 3.967
61 HG22 VAL 22 HG22 VAL 22 0.196 4.661 3.558
62 HG23 VAL 22 HG23 VAL 22 0.193 3.195 4.539
63 H LEU 23 HN LEU 23 -1.233 1.264 0.377
64 HA LEU 23 HA LEU 23 0.895 1.223 -1.503
65 HB2 LEU 23 HB2 LEU 23 -0.766 -0.883 -2.196
66 HB3 LEU 23 HB1 LEU 23 0.655 -0.944 -1.180
67 HG LEU 23 HG LEU 23 -0.832 -0.564 0.798
68 HD11 LEU 23 HD11 LEU 23 -2.745 0.453 -0.215
69 HD12 LEU 23 HD12 LEU 23 -3.236 -1.099 0.457
70 HD13 LEU 23 HD13 LEU 23 -2.982 -0.934 -1.277
71 HD21 LEU 23 HD21 LEU 23 -1.354 -2.978 -0.927
72 HD22 LEU 23 HD22 LEU 23 -1.714 -2.863 0.794
73 HD23 LEU 23 HD23 LEU 23 -0.044 -2.775 0.238
74 H GLN 24 HN GLN 24 -2.631 1.495 -1.907
75 HA GLN 24 HA GLN 24 -2.394 1.360 -4.744
76 HB2 GLN 24 HB2 GLN 24 -4.802 1.870 -4.785
77 HB3 GLN 24 HB1 GLN 24 -4.375 0.481 -3.815
78 HG2 GLN 24 HG2 GLN 24 -5.739 1.393 -2.305
79 HG3 GLN 24 HG1 GLN 24 -4.383 2.468 -1.954
80 HE21 GLN 24 HE21 GLN 24 -4.501 4.599 -2.557
81 HE22 GLN 24 HE22 GLN 24 -5.930 5.316 -3.221
82 H ALA 25 HN ALA 25 -2.290 4.002 -2.511
83 HA ALA 25 HA ALA 25 -3.325 6.051 -4.092
84 HB1 ALA 25 HB1 ALA 25 -2.036 7.594 -2.762
85 HB2 ALA 25 HB2 ALA 25 -1.021 6.276 -2.175
86 HB3 ALA 25 HB3 ALA 25 -2.732 6.336 -1.738
87 H ILE 26 HN ILE 26 0.125 5.092 -3.832
88 HA ILE 26 HA ILE 26 1.159 6.784 -5.733
89 HB ILE 26 HB ILE 26 2.647 5.394 -4.460
90 HG12 ILE 26 HG12 ILE 26 2.798 4.743 -7.410
91 HG13 ILE 26 HG11 ILE 26 3.519 6.129 -6.601
92 HG21 ILE 26 HG21 ILE 26 2.858 2.976 -4.849
93 HG22 ILE 26 HG22 ILE 26 1.458 3.044 -5.919
94 HG23 ILE 26 HG23 ILE 26 1.278 3.421 -4.205
95 HD11 ILE 26 HD11 ILE 26 4.276 3.248 -6.190
96 HD12 ILE 26 HD12 ILE 26 4.994 4.629 -5.361
97 HD13 ILE 26 HD13 ILE 26 5.186 4.450 -7.106
98 H LYS 27 HN LYS 27 -0.695 3.865 -6.225
99 HA LYS 27 HA LYS 27 -0.325 3.770 -9.061
100 HB2 LYS 27 HB2 LYS 27 -0.846 1.674 -8.353
101 HB3 LYS 27 HB1 LYS 27 -1.819 2.253 -7.012
102 HG2 LYS 27 HG2 LYS 27 -3.698 2.604 -8.446
103 HG3 LYS 27 HG1 LYS 27 -2.731 2.246 -9.880
104 HD2 LYS 27 HD2 LYS 27 -2.436 -0.044 -9.139
105 HD3 LYS 27 HD1 LYS 27 -3.293 0.309 -7.639
106 HE2 LYS 27 HE2 LYS 27 -4.772 -0.831 -9.165
107 HE3 LYS 27 HE1 LYS 27 -5.316 0.828 -8.939
108 HZ1 LYS 27 HZ1 LYS 27 -4.218 1.395 -11.048
109 HZ2 LYS 27 HZ2 LYS 27 -5.442 0.248 -11.246
110 HZ3 LYS 27 HZ3 LYS 27 -3.822 -0.232 -11.273
111 H SER 28 HN SER 28 -3.007 4.850 -6.947
112 HA SER 28 HA SER 28 -4.502 5.604 -9.340
113 HB2 SER 28 HB2 SER 28 -5.632 4.208 -7.681
114 HB3 SER 28 HB1 SER 28 -5.393 5.455 -6.457
115 HG SER 28 HG SER 28 -6.733 6.044 -8.872
116 H CYS 29 HN CYS 29 -3.456 7.165 -6.279
117 HA CYS 29 HA CYS 29 -4.091 9.762 -7.485
118 HB2 CYS 29 HB2 CYS 29 -5.353 10.437 -5.482
119 HB3 CYS 29 HB1 CYS 29 -6.110 9.067 -6.287
120 HG CYS 29 HG CYS 29 -4.053 8.687 -3.590
121 HA PRO 30 HA PRO 30 -0.259 10.835 -5.498
122 HB2 PRO 30 HB2 PRO 30 -0.481 13.542 -5.721
123 HB3 PRO 30 HB1 PRO 30 -0.026 12.491 -7.066
124 HG2 PRO 30 HG2 PRO 30 -2.691 13.679 -6.405
125 HG3 PRO 30 HG1 PRO 30 -1.889 13.538 -7.982
126 HD2 PRO 30 HD2 PRO 30 -3.841 11.846 -7.201
127 HD3 PRO 30 HD1 PRO 30 -2.492 11.321 -8.227
128 H LYS 31 HN LYS 31 0.311 12.901 -3.957
129 HA LYS 31 HA LYS 31 0.166 13.852 -1.902
130 HB2 LYS 31 HB2 LYS 31 -2.724 12.975 -1.919
131 HB3 LYS 31 HB1 LYS 31 -1.988 14.005 -0.702
132 HG2 LYS 31 HG2 LYS 31 -1.495 15.669 -2.464
133 HG3 LYS 31 HG1 LYS 31 -2.356 14.649 -3.618
134 HD2 LYS 31 HD2 LYS 31 -3.535 15.858 -1.117
135 HD3 LYS 31 HD1 LYS 31 -3.775 16.456 -2.757
136 HE2 LYS 31 HE2 LYS 31 -4.881 14.391 -3.379
137 HE3 LYS 31 HE1 LYS 31 -4.576 13.717 -1.780
138 HZ1 LYS 31 HZ1 LYS 31 -6.831 14.553 -1.975
139 HZ2 LYS 31 HZ2 LYS 31 -6.256 16.095 -2.357
140 HZ3 LYS 31 HZ3 LYS 31 -5.966 15.442 -0.827
141 H THR 32 HN THR 32 -0.539 10.634 -2.555
142 HA THR 32 HA THR 32 0.719 9.839 -0.059
143 HB THR 32 HB THR 32 -1.804 8.469 -1.026
144 HG1 THR 32 HG1 THR 32 -1.390 10.548 0.837
145 HG21 THR 32 HG21 THR 32 -0.267 7.033 0.235
146 HG22 THR 32 HG22 THR 32 -1.736 7.356 1.157
147 HG23 THR 32 HG23 THR 32 -0.242 8.209 1.549
148 H PHE 33 HN PHE 33 1.702 7.683 -0.261
149 HA PHE 33 HA PHE 33 1.921 6.578 -2.904
150 HB2 PHE 33 HB2 PHE 33 4.243 7.145 -3.276
151 HB3 PHE 33 HB1 PHE 33 3.328 8.631 -3.052
152 HD1 PHE 33 HD1 PHE 33 6.271 7.004 -2.224
153 HD2 PHE 33 HD2 PHE 33 3.226 9.408 -0.476
154 HE1 PHE 33 HE1 PHE 33 7.831 7.683 -0.447
155 HE2 PHE 33 HE2 PHE 33 4.783 10.095 1.300
156 HZ PHE 33 HZ PHE 33 7.090 9.231 1.318
157 H GLN 34 HN GLN 34 3.645 4.882 -2.943
158 HA GLN 34 HA GLN 34 3.909 3.650 -0.290
159 HB2 GLN 34 HB2 GLN 34 2.264 2.533 -1.736
160 HB3 GLN 34 HB1 GLN 34 3.496 2.301 -2.963
161 HG2 GLN 34 HG2 GLN 34 4.765 0.913 -1.384
162 HG3 GLN 34 HG1 GLN 34 3.468 1.110 -0.208
163 HE21 GLN 34 HE21 GLN 34 3.153 -1.129 -0.162
164 HE22 GLN 34 HE22 GLN 34 2.344 -1.956 -1.444
165 H SER 35 HN SER 35 5.544 5.017 -2.829
166 HA SER 35 HA SER 35 7.604 3.373 -3.565
167 HB2 SER 35 HB2 SER 35 7.974 6.322 -3.076
168 HB3 SER 35 HB1 SER 35 8.710 5.322 -4.327
169 HG SER 35 HG SER 35 7.109 6.107 -5.465
170 H ASN 36 HN ASN 36 8.217 6.037 -1.284
171 HA ASN 36 HA ASN 36 10.313 4.396 -0.046
172 HB2 ASN 36 HB2 ASN 36 9.801 7.371 0.229
173 HB3 ASN 36 HB1 ASN 36 11.204 6.494 0.826
174 HD21 ASN 36 HD21 ASN 36 12.804 5.875 -0.606
175 HD22 ASN 36 HD22 ASN 36 12.890 6.478 -2.223
176 H TYR 37 HN TYR 37 7.196 4.951 0.333
177 HA TYR 37 HA TYR 37 6.980 5.758 3.065
178 HB2 TYR 37 HB2 TYR 37 5.282 6.073 1.176
179 HB3 TYR 37 HB1 TYR 37 4.871 4.380 1.411
180 HD1 TYR 37 HD1 TYR 37 3.713 3.646 3.437
181 HD2 TYR 37 HD2 TYR 37 4.615 7.751 2.785
182 HE1 TYR 37 HE1 TYR 37 2.149 4.268 5.231
183 HE2 TYR 37 HE2 TYR 37 3.054 8.384 4.574
184 HH TYR 37 HH TYR 37 1.834 6.214 6.810
185 H VAL 38 HN VAL 38 7.149 2.728 1.340
186 HA VAL 38 HA VAL 38 6.092 0.982 3.243
187 HB VAL 38 HB VAL 38 8.149 0.570 1.084
188 HG11 VAL 38 HG11 VAL 38 8.536 -1.049 2.932
189 HG12 VAL 38 HG12 VAL 38 8.019 -1.805 1.429
190 HG13 VAL 38 HG13 VAL 38 6.869 -1.597 2.751
191 HG21 VAL 38 HG21 VAL 38 5.318 -0.415 1.344
192 HG22 VAL 38 HG22 VAL 38 6.353 -0.502 -0.079
193 HG23 VAL 38 HG23 VAL 38 5.781 1.061 0.499
194 H ARG 39 HN ARG 39 9.499 1.904 2.740
195 HA ARG 39 HA ARG 39 10.556 0.208 4.701
196 HB2 ARG 39 HB2 ARG 39 11.828 1.391 2.881
197 HB3 ARG 39 HB1 ARG 39 11.726 2.855 3.851
198 HG2 ARG 39 HG2 ARG 39 13.855 1.876 4.235
199 HG3 ARG 39 HG1 ARG 39 12.881 1.630 5.684
200 HD2 ARG 39 HD2 ARG 39 12.386 -0.661 4.959
201 HD3 ARG 39 HD1 ARG 39 13.376 -0.412 3.520
202 HE ARG 39 HE ARG 39 15.046 0.176 5.592
203 HH11 ARG 39 HH11 ARG 39 13.095 -2.610 4.752
204 HH12 ARG 39 HH12 ARG 39 14.164 -3.738 5.520
205 HH21 ARG 39 HH21 ARG 39 16.457 -1.314 6.581
206 HH22 ARG 39 HH22 ARG 39 16.076 -3.008 6.550
207 H ASN 40 HN ASN 40 9.048 3.319 4.957
208 HA ASN 40 HA ASN 40 9.936 3.737 7.682
209 HB2 ASN 40 HB2 ASN 40 8.044 5.283 5.904
210 HB3 ASN 40 HB1 ASN 40 8.401 5.732 7.568
211 HD21 ASN 40 HD21 ASN 40 9.277 7.686 6.980
212 HD22 ASN 40 HD22 ASN 40 10.823 7.820 6.213
213 H ASN 41 HN ASN 41 6.877 3.047 6.005
214 HA ASN 41 HA ASN 41 5.655 2.466 8.625
215 HB2 ASN 41 HB2 ASN 41 4.295 3.331 6.053
216 HB3 ASN 41 HB1 ASN 41 3.485 2.977 7.573
217 HD21 ASN 41 HD21 ASN 41 5.520 5.215 5.866
218 HD22 ASN 41 HD22 ASN 41 5.340 6.537 6.967
219 H ALA 42 HN ALA 42 7.089 0.442 7.721
220 HA ALA 42 HA ALA 42 5.965 -1.255 5.798
221 HB1 ALA 42 HB1 ALA 42 8.267 -1.457 6.596
222 HB2 ALA 42 HB2 ALA 42 7.398 -2.985 6.727
223 HB3 ALA 42 HB3 ALA 42 7.675 -2.005 8.165
224 H SER 43 HN SER 43 5.414 -1.023 9.281
225 HA SER 43 HA SER 43 3.950 -3.379 9.620
226 HB2 SER 43 HB2 SER 43 2.911 -2.021 11.574
227 HB3 SER 43 HB1 SER 43 4.641 -2.364 11.597
228 HG SER 43 HG SER 43 4.805 -0.277 11.817
229 H LEU 44 HN LEU 44 2.976 -0.236 8.419
230 HA LEU 44 HA LEU 44 0.178 -0.747 8.415
231 HB2 LEU 44 HB2 LEU 44 1.854 1.142 6.765
232 HB3 LEU 44 HB1 LEU 44 0.105 1.093 6.705
233 HG LEU 44 HG LEU 44 1.822 1.887 9.052
234 HD11 LEU 44 HD11 LEU 44 -0.206 3.414 7.424
235 HD12 LEU 44 HD12 LEU 44 1.545 3.585 7.312
236 HD13 LEU 44 HD13 LEU 44 0.711 4.036 8.798
237 HD21 LEU 44 HD21 LEU 44 -0.053 0.605 9.881
238 HD22 LEU 44 HD22 LEU 44 -1.169 1.546 8.892
239 HD23 LEU 44 HD23 LEU 44 -0.303 2.315 10.220
240 H VAL 45 HN VAL 45 2.647 -0.886 5.873
241 HA VAL 45 HA VAL 45 0.964 -1.815 3.822
242 HB VAL 45 HB VAL 45 3.907 -2.437 4.021
243 HG11 VAL 45 HG11 VAL 45 2.730 -3.499 2.183
244 HG12 VAL 45 HG12 VAL 45 3.830 -2.257 1.585
245 HG13 VAL 45 HG13 VAL 45 2.099 -1.935 1.667
246 HG21 VAL 45 HG21 VAL 45 2.663 0.123 3.033
247 HG22 VAL 45 HG22 VAL 45 4.379 -0.284 3.027
248 HG23 VAL 45 HG23 VAL 45 3.532 -0.061 4.556
249 H ALA 46 HN ALA 46 2.716 -3.472 6.357
250 HA ALA 46 HA ALA 46 2.654 -6.086 5.375
251 HB1 ALA 46 HB1 ALA 46 4.018 -5.460 7.272
252 HB2 ALA 46 HB2 ALA 46 2.930 -6.771 7.730
253 HB3 ALA 46 HB3 ALA 46 2.579 -5.116 8.231
254 H GLU 47 HN GLU 47 0.135 -4.168 6.838
255 HA GLU 47 HA GLU 47 -1.686 -6.167 7.546
256 HB2 GLU 47 HB2 GLU 47 -2.046 -3.333 6.612
257 HB3 GLU 47 HB1 GLU 47 -3.431 -4.359 6.956
258 HG2 GLU 47 HG2 GLU 47 -1.244 -3.647 8.896
259 HG3 GLU 47 HG1 GLU 47 -2.863 -2.946 8.852
260 H ALA 48 HN ALA 48 -0.744 -4.925 4.465
261 HA ALA 48 HA ALA 48 -2.957 -5.614 2.907
262 HB1 ALA 48 HB1 ALA 48 -1.553 -5.325 1.033
263 HB2 ALA 48 HB2 ALA 48 -0.108 -5.679 1.981
264 HB3 ALA 48 HB3 ALA 48 -0.998 -4.180 2.260
265 H ALA 49 HN ALA 49 -0.348 -7.581 4.134
266 HA ALA 49 HA ALA 49 -0.679 -9.789 2.424
267 HB1 ALA 49 HB1 ALA 49 1.268 -9.526 3.888
268 HB2 ALA 49 HB2 ALA 49 0.472 -11.078 4.154
269 HB3 ALA 49 HB3 ALA 49 0.238 -9.759 5.300
270 H SER 50 HN SER 50 -2.301 -8.769 5.358
271 HA SER 50 HA SER 50 -3.882 -11.128 5.630
272 HB2 SER 50 HB2 SER 50 -4.275 -8.376 6.827
273 HB3 SER 50 HB1 SER 50 -5.087 -9.855 7.346
274 HG SER 50 HG SER 50 -2.913 -8.987 8.338
275 H ARG 51 HN ARG 51 -4.290 -8.015 4.002
276 HA ARG 51 HA ARG 51 -7.018 -8.452 3.308
277 HB2 ARG 51 HB2 ARG 51 -4.901 -6.546 2.463
278 HB3 ARG 51 HB1 ARG 51 -6.232 -6.802 1.348
279 HG2 ARG 51 HG2 ARG 51 -6.741 -4.898 2.681
280 HG3 ARG 51 HG1 ARG 51 -7.805 -6.208 3.184
281 HD2 ARG 51 HD2 ARG 51 -5.233 -5.748 4.630
282 HD3 ARG 51 HD1 ARG 51 -6.611 -4.703 4.963
283 HE ARG 51 HE ARG 51 -7.504 -7.334 5.142
284 HH11 ARG 51 HH11 ARG 51 -5.230 -5.233 6.752
285 HH12 ARG 51 HH12 ARG 51 -5.404 -5.991 8.302
286 HH21 ARG 51 HH21 ARG 51 -7.756 -8.352 7.182
287 HH22 ARG 51 HH22 ARG 51 -6.844 -7.776 8.544
288 H GLY 52 HN GLY 52 -3.926 -9.321 1.850
289 HA2 GLY 52 HA2 GLY 52 -4.040 -11.627 0.984
290 HA3 GLY 52 HA1 GLY 52 -5.495 -11.146 0.139
291 H HIS 53 HN HIS 53 -3.526 -8.527 -0.261
292 HA HIS 53 HA HIS 53 -2.194 -9.725 -2.574
293 HB2 HIS 53 HB2 HIS 53 -4.396 -7.740 -2.690
294 HB3 HIS 53 HB1 HIS 53 -3.070 -7.555 -3.836
295 HD1 HIS 53 HD1 HIS 53 -6.030 -9.674 -3.075
296 HD2 HIS 53 HD2 HIS 53 -2.796 -9.683 -5.691
297 HE1 HIS 53 HE1 HIS 53 -6.583 -11.384 -4.828
298 HE2 HIS 53 HE2 HIS 53 -4.548 -11.486 -6.303
299 H ILE 54 HN ILE 54 -0.253 -9.060 -2.892
300 HA ILE 54 HA ILE 54 0.602 -6.351 -2.629
301 HB ILE 54 HB ILE 54 2.627 -7.329 -1.141
302 HG12 ILE 54 HG12 ILE 54 0.142 -8.624 -0.001
303 HG13 ILE 54 HG11 ILE 54 1.489 -9.476 -0.750
304 HG21 ILE 54 HG21 ILE 54 1.671 -6.092 0.742
305 HG22 ILE 54 HG22 ILE 54 0.124 -6.035 -0.101
306 HG23 ILE 54 HG23 ILE 54 1.530 -5.219 -0.783
307 HD11 ILE 54 HD11 ILE 54 1.616 -7.832 1.766
308 HD12 ILE 54 HD12 ILE 54 2.972 -8.677 1.016
309 HD13 ILE 54 HD13 ILE 54 1.611 -9.592 1.667
310 H SER 55 HN SER 55 2.960 -6.173 -3.184
311 HA SER 55 HA SER 55 4.078 -8.503 -4.515
312 HB2 SER 55 HB2 SER 55 2.729 -7.262 -6.222
313 HB3 SER 55 HB1 SER 55 3.753 -5.854 -5.942
314 HG SER 55 HG SER 55 4.244 -7.492 -7.728
315 H CYS 56 HN CYS 56 6.302 -8.550 -4.320
316 HA CYS 56 HA CYS 56 7.410 -6.342 -2.718
317 HB2 CYS 56 HB2 CYS 56 7.277 -8.394 -1.465
318 HB3 CYS 56 HB1 CYS 56 8.085 -9.284 -2.751
319 HG CYS 56 HG CYS 56 9.404 -7.251 -0.390
320 H ALA 57 HN ALA 57 9.126 -5.253 -3.393
321 HA ALA 57 HA ALA 57 10.511 -6.105 -5.809
322 HB1 ALA 57 HB1 ALA 57 11.585 -3.910 -5.737
323 HB2 ALA 57 HB2 ALA 57 10.817 -3.581 -4.183
324 HB3 ALA 57 HB3 ALA 57 9.830 -3.766 -5.634
325 H THR 58 HN THR 58 11.555 -4.916 -2.581
326 HA THR 58 HA THR 58 13.404 -7.126 -2.417
327 HB THR 58 HB THR 58 14.569 -4.372 -2.100
328 HG1 THR 58 HG1 THR 58 14.125 -5.897 -4.377
329 HG21 THR 58 HG21 THR 58 16.696 -5.559 -2.242
330 HG22 THR 58 HG22 THR 58 15.839 -7.090 -2.422
331 HG23 THR 58 HG23 THR 58 15.718 -6.184 -0.914
332 H THR 59 HN THR 59 11.823 -4.444 -0.926
333 HA THR 59 HA THR 59 11.108 -4.028 1.178
334 HB THR 59 HB THR 59 12.130 -6.752 1.987
335 HG1 THR 59 HG1 THR 59 10.291 -7.590 1.210
336 HG21 THR 59 HG21 THR 59 10.394 -6.581 3.710
337 HG22 THR 59 HG22 THR 59 9.963 -4.975 3.122
338 HG23 THR 59 HG23 THR 59 11.550 -5.256 3.841
339 H SER 60 HN SER 60 14.246 -5.728 1.282
340 HA SER 60 HA SER 60 15.161 -4.236 3.552
341 HB2 SER 60 HB2 SER 60 15.894 -6.574 2.973
342 HB3 SER 60 HB1 SER 60 16.793 -5.898 1.616
343 HG SER 60 HG SER 60 18.328 -5.583 2.996
344 H GLY 61 HN GLY 61 16.115 -2.294 3.546
345 HA2 GLY 61 HA2 GLY 61 17.257 -0.438 2.823
346 HA3 GLY 61 HA1 GLY 61 17.617 -1.292 1.327
347 H ARG 62 HN ARG 62 16.158 1.379 2.416
348 HA ARG 62 HA ARG 62 13.669 1.450 1.121
349 HB2 ARG 62 HB2 ARG 62 13.795 3.834 1.294
350 HB3 ARG 62 HB1 ARG 62 14.584 3.179 2.721
351 HG2 ARG 62 HG2 ARG 62 16.768 3.476 1.458
352 HG3 ARG 62 HG1 ARG 62 15.841 4.439 0.308
353 HD2 ARG 62 HD2 ARG 62 16.318 4.977 3.226
354 HD3 ARG 62 HD1 ARG 62 16.807 5.956 1.848
355 HE ARG 62 HE ARG 62 14.198 5.867 3.105
356 HH11 ARG 62 HH11 ARG 62 16.051 6.868 0.303
357 HH12 ARG 62 HH12 ARG 62 14.922 8.102 -0.158
358 HH21 ARG 62 HH21 ARG 62 12.728 7.514 2.512
359 HH22 ARG 62 HH22 ARG 62 13.042 8.471 1.098
360 H ASN 63 HN ASN 63 16.861 1.475 -0.023
361 HA ASN 63 HA ASN 63 16.494 2.441 -2.663
362 HB2 ASN 63 HB2 ASN 63 18.682 2.324 -1.579
363 HB3 ASN 63 HB1 ASN 63 18.536 0.571 -1.434
364 HD21 ASN 63 HD21 ASN 63 19.027 -0.695 -3.187
365 HD22 ASN 63 HD22 ASN 63 19.683 -0.073 -4.661
366 H GLY 64 HN GLY 64 14.620 1.394 -3.477
367 HA2 GLY 64 HA2 GLY 64 13.775 -0.156 -4.987
368 HA3 GLY 64 HA1 GLY 64 15.207 -1.139 -4.742
369 H GLY 65 HN GLY 65 14.844 -1.154 -1.819
370 HA2 GLY 65 HA2 GLY 65 13.138 -3.469 -1.725
371 HA3 GLY 65 HA1 GLY 65 14.029 -2.765 -0.379
372 H ALA 66 HN ALA 66 11.244 -2.285 -2.450
373 HA ALA 66 HA ALA 66 9.713 -1.496 -0.079
374 HB1 ALA 66 HB1 ALA 66 10.218 0.544 -1.325
375 HB2 ALA 66 HB2 ALA 66 8.499 0.161 -1.427
376 HB3 ALA 66 HB3 ALA 66 9.560 -0.180 -2.793
377 H TRP 67 HN TRP 67 7.337 -1.702 -0.550
378 HA TRP 67 HA TRP 67 6.822 -4.037 -2.234
379 HB2 TRP 67 HB2 TRP 67 5.223 -2.709 -0.039
380 HB3 TRP 67 HB1 TRP 67 4.550 -3.958 -1.079
381 HD1 TRP 67 HD1 TRP 67 7.193 -3.484 1.678
382 HE1 TRP 67 HE1 TRP 67 7.696 -5.777 2.725
383 HE3 TRP 67 HE3 TRP 67 4.474 -6.422 -1.483
384 HZ2 TRP 67 HZ2 TRP 67 7.027 -8.477 2.268
385 HZ3 TRP 67 HZ3 TRP 67 4.453 -8.853 -1.110
386 HH2 TRP 67 HH2 TRP 67 5.703 -9.858 0.726
387 H GLU 68 HN GLU 68 5.106 -3.994 -3.750
388 HA GLU 68 HA GLU 68 3.964 -1.347 -4.299
389 HB2 GLU 68 HB2 GLU 68 4.106 -1.662 -6.661
390 HB3 GLU 68 HB1 GLU 68 5.706 -1.966 -6.006
391 HG2 GLU 68 HG2 GLU 68 5.378 -4.344 -6.215
392 HG3 GLU 68 HG1 GLU 68 3.714 -4.088 -6.748
393 H ILE 69 HN ILE 69 1.927 -1.629 -5.695
394 HA ILE 69 HA ILE 69 0.391 -3.750 -4.370
395 HB ILE 69 HB ILE 69 -0.266 -1.400 -3.906
396 HG12 ILE 69 HG12 ILE 69 -2.267 -3.128 -5.376
397 HG13 ILE 69 HG11 ILE 69 -1.904 -3.169 -3.655
398 HG21 ILE 69 HG21 ILE 69 0.280 -0.411 -6.053
399 HG22 ILE 69 HG22 ILE 69 -1.412 -0.110 -5.657
400 HG23 ILE 69 HG23 ILE 69 -0.988 -1.355 -6.832
401 HD11 ILE 69 HD11 ILE 69 -3.208 -0.910 -5.148
402 HD12 ILE 69 HD12 ILE 69 -2.812 -0.909 -3.428
403 HD13 ILE 69 HD13 ILE 69 -3.998 -2.051 -4.060
404 H THR 70 HN THR 70 -0.951 -5.087 -5.502
405 HA THR 70 HA THR 70 -0.665 -5.222 -8.372
406 HB THR 70 HB THR 70 -2.150 -7.187 -8.186
407 HG1 THR 70 HG1 THR 70 -3.457 -7.223 -6.525
408 HG21 THR 70 HG21 THR 70 0.251 -7.500 -7.836
409 HG22 THR 70 HG22 THR 70 -0.680 -8.603 -6.824
410 HG23 THR 70 HG23 THR 70 0.051 -7.164 -6.116
411 H ALA 71 HN ALA 71 -2.602 -5.195 -9.779
412 HA ALA 71 HA ALA 71 -4.006 -2.782 -9.394
413 HB1 ALA 71 HB1 ALA 71 -4.523 -4.995 -11.370
414 HB2 ALA 71 HB2 ALA 71 -3.453 -3.613 -11.600
415 HB3 ALA 71 HB3 ALA 71 -5.192 -3.366 -11.452
416 H SER 72 HN SER 72 -4.730 -6.031 -8.515
417 HA SER 72 HA SER 72 -7.545 -5.760 -8.244
418 HB2 SER 72 HB2 SER 72 -7.179 -7.818 -6.718
419 HB3 SER 72 HB1 SER 72 -6.764 -7.967 -8.422
420 HG SER 72 HG SER 72 -4.790 -8.345 -7.856
421 H GLY 73 HN GLY 73 -4.826 -5.083 -6.133
422 HA2 GLY 73 HA2 GLY 73 -6.122 -5.347 -3.660
423 HA3 GLY 73 HA1 GLY 73 -4.673 -4.400 -3.952
424 H THR 74 HN THR 74 -5.956 -2.667 -5.877
425 HA THR 74 HA THR 74 -6.631 -0.590 -4.137
426 HB THR 74 HB THR 74 -7.248 -0.796 -7.087
427 HG1 THR 74 HG1 THR 74 -4.896 -0.601 -5.676
428 HG21 THR 74 HG21 THR 74 -6.806 1.595 -5.292
429 HG22 THR 74 HG22 THR 74 -8.334 1.112 -6.025
430 HG23 THR 74 HG23 THR 74 -7.001 1.655 -7.045
431 H ARG 75 HN ARG 75 -8.673 -2.986 -5.709
432 HA ARG 75 HA ARG 75 -11.047 -1.379 -5.593
433 HB2 ARG 75 HB2 ARG 75 -10.689 -4.342 -6.053
434 HB3 ARG 75 HB1 ARG 75 -12.205 -3.475 -6.243
435 HG2 ARG 75 HG2 ARG 75 -11.240 -2.147 -8.037
436 HG3 ARG 75 HG1 ARG 75 -9.696 -2.978 -7.830
437 HD2 ARG 75 HD2 ARG 75 -10.735 -5.095 -8.420
438 HD3 ARG 75 HD1 ARG 75 -12.302 -4.303 -8.566
439 HE ARG 75 HE ARG 75 -10.386 -3.090 -10.272
440 HH11 ARG 75 HH11 ARG 75 -12.416 -5.920 -9.955
441 HH12 ARG 75 HH12 ARG 75 -12.542 -6.181 -11.664
442 HH21 ARG 75 HH21 ARG 75 -10.538 -3.433 -12.525
443 HH22 ARG 75 HH22 ARG 75 -11.473 -4.764 -13.129
444 H PHE 76 HN PHE 76 -10.101 -4.360 -3.846
445 HA PHE 76 HA PHE 76 -12.414 -4.184 -2.185
446 HB2 PHE 76 HB2 PHE 76 -11.153 -6.080 -0.911
447 HB3 PHE 76 HB1 PHE 76 -11.876 -6.369 -2.477
448 HD1 PHE 76 HD1 PHE 76 -8.659 -5.701 -0.772
449 HD2 PHE 76 HD2 PHE 76 -10.615 -7.114 -4.276
450 HE1 PHE 76 HE1 PHE 76 -6.520 -6.587 -1.608
451 HE2 PHE 76 HE2 PHE 76 -8.483 -7.994 -5.120
452 HZ PHE 76 HZ PHE 76 -6.432 -7.733 -3.790
453 H LEU 77 HN LEU 77 -9.026 -3.474 -1.696
454 HA LEU 77 HA LEU 77 -9.228 -3.342 1.121
455 HB2 LEU 77 HB2 LEU 77 -7.041 -3.541 0.888
456 HB3 LEU 77 HB1 LEU 77 -7.174 -3.215 -0.830
457 HG LEU 77 HG LEU 77 -7.279 -0.796 0.800
458 HD11 LEU 77 HD11 LEU 77 -5.793 -2.053 2.222
459 HD12 LEU 77 HD12 LEU 77 -4.881 -0.837 1.328
460 HD13 LEU 77 HD13 LEU 77 -4.818 -2.527 0.830
461 HD21 LEU 77 HD21 LEU 77 -7.039 -0.735 -1.608
462 HD22 LEU 77 HD22 LEU 77 -5.575 -1.715 -1.514
463 HD23 LEU 77 HD23 LEU 77 -5.587 -0.082 -0.848
464 H LYS 78 HN LYS 78 -9.040 -0.691 -1.305
465 HA LYS 78 HA LYS 78 -9.128 1.329 0.693
466 HB2 LYS 78 HB2 LYS 78 -8.187 1.837 -1.505
467 HB3 LYS 78 HB1 LYS 78 -9.760 1.575 -2.252
468 HG2 LYS 78 HG2 LYS 78 -10.659 3.441 -0.857
469 HG3 LYS 78 HG1 LYS 78 -9.014 3.748 -0.302
470 HD2 LYS 78 HD2 LYS 78 -9.566 5.290 -2.060
471 HD3 LYS 78 HD1 LYS 78 -8.340 4.166 -2.635
472 HE2 LYS 78 HE2 LYS 78 -11.253 3.685 -3.167
473 HE3 LYS 78 HE1 LYS 78 -10.314 4.771 -4.187
474 HZ1 LYS 78 HZ1 LYS 78 -8.716 2.803 -4.386
475 HZ2 LYS 78 HZ2 LYS 78 -10.165 2.741 -5.253
476 HZ3 LYS 78 HZ3 LYS 78 -10.005 1.858 -3.824
477 H ARG 79 HN ARG 79 -11.564 -0.531 -0.872
478 HA ARG 79 HA ARG 79 -13.754 1.175 -0.798
479 HB2 ARG 79 HB2 ARG 79 -15.025 -0.630 -1.357
480 HB3 ARG 79 HB1 ARG 79 -13.439 -1.288 -1.716
481 HG2 ARG 79 HG2 ARG 79 -13.429 -2.368 0.510
482 HG3 ARG 79 HG1 ARG 79 -15.073 -1.779 0.763
483 HD2 ARG 79 HD2 ARG 79 -14.110 -3.726 -1.320
484 HD3 ARG 79 HD1 ARG 79 -15.230 -4.034 0.003
485 HE ARG 79 HE ARG 79 -16.578 -2.192 -1.328
486 HH11 ARG 79 HH11 ARG 79 -14.845 -4.987 -2.517
487 HH12 ARG 79 HH12 ARG 79 -15.826 -5.150 -3.939
488 HH21 ARG 79 HH21 ARG 79 -17.880 -2.410 -3.209
489 HH22 ARG 79 HH22 ARG 79 -17.547 -3.690 -4.329
490 H MET 80 HN MET 80 -12.064 -0.178 1.834
491 HA MET 80 HA MET 80 -14.207 -0.118 3.742
492 HB2 MET 80 HB2 MET 80 -11.212 -0.142 4.131
493 HB3 MET 80 HB1 MET 80 -12.393 -0.353 5.413
494 HG2 MET 80 HG2 MET 80 -13.191 -2.395 4.354
495 HG3 MET 80 HG1 MET 80 -12.032 -2.175 3.044
496 HE1 MET 80 HE1 MET 80 -12.495 -2.752 6.870
497 HE2 MET 80 HE2 MET 80 -11.353 -1.408 6.871
498 HE3 MET 80 HE3 MET 80 -10.840 -3.003 7.421
499 H GLY 81 HN GLY 81 -13.278 2.345 2.075
500 HA2 GLY 81 HA2 GLY 81 -14.208 4.481 2.747
501 HA3 GLY 81 HA1 GLY 81 -13.531 4.207 4.345
502 H GLY 82 HN GLY 82 -10.962 3.330 3.523
503 HA2 GLY 82 HA2 GLY 82 -8.913 4.107 2.837
504 HA3 GLY 82 HA1 GLY 82 -9.756 5.166 1.719
505 H CYS 83 HN CYS 83 -8.188 4.889 4.772
506 HA CYS 83 HA CYS 83 -7.267 6.432 6.151
507 HB2 CYS 83 HB2 CYS 83 -6.641 7.512 3.969
508 HB3 CYS 83 HB1 CYS 83 -8.086 8.503 4.114
509 HG CYS 83 HG CYS 83 -5.410 8.546 6.260
510 H VAL 84 HN VAL 84 -10.182 5.781 6.211
511 HA VAL 84 HA VAL 84 -10.849 7.912 8.106
512 HB VAL 84 HB VAL 84 -13.303 7.577 7.505
513 HG11 VAL 84 HG11 VAL 84 -12.116 9.616 6.975
514 HG12 VAL 84 HG12 VAL 84 -13.192 9.185 5.645
515 HG13 VAL 84 HG13 VAL 84 -11.459 8.884 5.511
516 HG21 VAL 84 HG21 VAL 84 -13.064 5.561 6.147
517 HG22 VAL 84 HG22 VAL 84 -12.091 6.453 4.980
518 HG23 VAL 84 HG23 VAL 84 -13.788 6.869 5.214
Start of MODEL 4
1 H1 MET 16 HT1 MET 16 -5.698 -0.489 10.919
2 H2 MET 16 HT2 MET 16 -7.013 0.512 10.584
3 H3 MET 16 HT3 MET 16 -5.442 1.065 10.305
4 HA MET 16 HA MET 16 -5.121 -0.616 8.604
5 HB2 MET 16 HB2 MET 16 -7.024 -1.922 7.814
6 HB3 MET 16 HB1 MET 16 -6.690 -2.273 9.502
7 HG2 MET 16 HG2 MET 16 -8.545 -0.845 10.176
8 HG3 MET 16 HG1 MET 16 -8.868 -0.458 8.488
9 HE1 MET 16 HE1 MET 16 -7.782 -3.999 9.871
10 HE2 MET 16 HE2 MET 16 -9.353 -4.686 10.282
11 HE3 MET 16 HE3 MET 16 -8.736 -3.296 11.177
12 H SER 17 HN SER 17 -7.370 1.875 9.371
13 HA SER 17 HA SER 17 -8.555 2.305 6.874
14 HB2 SER 17 HB2 SER 17 -7.955 4.349 9.020
15 HB3 SER 17 HB1 SER 17 -9.161 4.501 7.741
16 HG SER 17 HG SER 17 -10.326 2.837 8.660
17 H ASP 18 HN ASP 18 -5.636 3.755 8.301
18 HA ASP 18 HA ASP 18 -5.123 5.440 6.053
19 HB2 ASP 18 HB2 ASP 18 -3.335 4.558 8.328
20 HB3 ASP 18 HB1 ASP 18 -2.878 5.758 7.123
21 H TYR 19 HN TYR 19 -4.008 2.289 7.109
22 HA TYR 19 HA TYR 19 -1.940 1.861 5.308
23 HB2 TYR 19 HB2 TYR 19 -1.859 0.024 6.595
24 HB3 TYR 19 HB1 TYR 19 -3.506 0.287 7.146
25 HD1 TYR 19 HD1 TYR 19 -5.195 -1.226 6.535
26 HD2 TYR 19 HD2 TYR 19 -1.557 -1.170 4.333
27 HE1 TYR 19 HE1 TYR 19 -5.900 -3.236 5.319
28 HE2 TYR 19 HE2 TYR 19 -2.259 -3.177 3.111
29 HH TYR 19 HH TYR 19 -3.837 -5.135 3.578
30 H LEU 20 HN LEU 20 -5.408 1.514 4.880
31 HA LEU 20 HA LEU 20 -5.519 -0.048 2.616
32 HB2 LEU 20 HB2 LEU 20 -7.294 2.293 3.287
33 HB3 LEU 20 HB1 LEU 20 -7.682 1.018 2.149
34 HG LEU 20 HG LEU 20 -7.279 0.639 5.119
35 HD11 LEU 20 HD11 LEU 20 -9.331 1.827 4.651
36 HD12 LEU 20 HD12 LEU 20 -9.680 0.175 5.158
37 HD13 LEU 20 HD13 LEU 20 -9.784 0.615 3.455
38 HD21 LEU 20 HD21 LEU 20 -8.112 -1.306 2.974
39 HD22 LEU 20 HD22 LEU 20 -8.149 -1.622 4.709
40 HD23 LEU 20 HD23 LEU 20 -6.609 -1.335 3.899
41 H LYS 21 HN LYS 21 -5.245 3.502 2.756
42 HA LYS 21 HA LYS 21 -5.081 3.601 -0.121
43 HB2 LYS 21 HB2 LYS 21 -4.946 5.761 1.963
44 HB3 LYS 21 HB1 LYS 21 -4.779 6.055 0.236
45 HG2 LYS 21 HG2 LYS 21 -7.014 4.960 -0.074
46 HG3 LYS 21 HG1 LYS 21 -7.173 4.952 1.686
47 HD2 LYS 21 HD2 LYS 21 -8.311 6.880 0.700
48 HD3 LYS 21 HD1 LYS 21 -6.964 7.387 1.718
49 HE2 LYS 21 HE2 LYS 21 -7.064 8.670 -0.369
50 HE3 LYS 21 HE1 LYS 21 -5.577 7.736 -0.248
51 HZ1 LYS 21 HZ1 LYS 21 -6.536 7.606 -2.459
52 HZ2 LYS 21 HZ2 LYS 21 -7.970 6.969 -1.829
53 HZ3 LYS 21 HZ3 LYS 21 -6.534 6.080 -1.723
54 H VAL 22 HN VAL 22 -2.823 3.246 2.411
55 HA VAL 22 HA VAL 22 -0.608 4.674 1.578
56 HB VAL 22 HB VAL 22 -0.842 1.988 2.924
57 HG11 VAL 22 HG11 VAL 22 1.564 1.947 3.298
58 HG12 VAL 22 HG12 VAL 22 1.759 3.395 2.307
59 HG13 VAL 22 HG13 VAL 22 1.207 1.889 1.571
60 HG21 VAL 22 HG21 VAL 22 0.185 3.248 4.804
61 HG22 VAL 22 HG22 VAL 22 -1.374 3.895 4.287
62 HG23 VAL 22 HG23 VAL 22 0.119 4.705 3.811
63 H LEU 23 HN LEU 23 -1.312 1.300 0.677
64 HA LEU 23 HA LEU 23 0.767 1.270 -1.263
65 HB2 LEU 23 HB2 LEU 23 -1.027 -0.860 -1.761
66 HB3 LEU 23 HB1 LEU 23 0.565 -0.912 -1.032
67 HG LEU 23 HG LEU 23 -0.659 -0.308 1.163
68 HD11 LEU 23 HD11 LEU 23 -2.806 0.249 0.119
69 HD12 LEU 23 HD12 LEU 23 -2.954 -1.062 1.291
70 HD13 LEU 23 HD13 LEU 23 -2.958 -1.420 -0.436
71 HD21 LEU 23 HD21 LEU 23 -1.048 -3.009 -0.111
72 HD22 LEU 23 HD22 LEU 23 -1.059 -2.646 1.615
73 HD23 LEU 23 HD23 LEU 23 0.423 -2.445 0.683
74 H GLN 24 HN GLN 24 -2.789 1.459 -1.550
75 HA GLN 24 HA GLN 24 -2.653 1.123 -4.377
76 HB2 GLN 24 HB2 GLN 24 -5.051 1.517 -4.403
77 HB3 GLN 24 HB1 GLN 24 -4.597 0.316 -3.207
78 HG2 GLN 24 HG2 GLN 24 -6.163 1.570 -2.078
79 HG3 GLN 24 HG1 GLN 24 -4.654 2.311 -1.554
80 HE21 GLN 24 HE21 GLN 24 -6.023 2.828 -4.726
81 HE22 GLN 24 HE22 GLN 24 -6.458 4.480 -4.486
82 H ALA 25 HN ALA 25 -2.596 3.937 -2.340
83 HA ALA 25 HA ALA 25 -3.648 5.801 -4.120
84 HB1 ALA 25 HB1 ALA 25 -3.193 6.322 -1.785
85 HB2 ALA 25 HB2 ALA 25 -2.449 7.500 -2.867
86 HB3 ALA 25 HB3 ALA 25 -1.460 6.254 -2.105
87 H ILE 26 HN ILE 26 -0.208 4.884 -3.700
88 HA ILE 26 HA ILE 26 0.909 6.660 -5.467
89 HB ILE 26 HB ILE 26 2.288 5.259 -4.058
90 HG12 ILE 26 HG12 ILE 26 2.911 4.803 -6.973
91 HG13 ILE 26 HG11 ILE 26 3.297 6.259 -6.064
92 HG21 ILE 26 HG21 ILE 26 1.535 2.971 -5.856
93 HG22 ILE 26 HG22 ILE 26 1.044 3.183 -4.175
94 HG23 ILE 26 HG23 ILE 26 2.744 2.925 -4.571
95 HD11 ILE 26 HD11 ILE 26 5.240 4.829 -6.327
96 HD12 ILE 26 HD12 ILE 26 4.389 3.506 -5.530
97 HD13 ILE 26 HD13 ILE 26 4.785 4.970 -4.630
98 H LYS 27 HN LYS 27 -0.611 3.561 -6.319
99 HA LYS 27 HA LYS 27 0.265 3.703 -9.036
100 HB2 LYS 27 HB2 LYS 27 -1.094 1.718 -9.366
101 HB3 LYS 27 HB1 LYS 27 -0.123 1.565 -7.923
102 HG2 LYS 27 HG2 LYS 27 -2.061 0.752 -7.118
103 HG3 LYS 27 HG1 LYS 27 -2.325 2.461 -6.779
104 HD2 LYS 27 HD2 LYS 27 -4.325 1.835 -7.765
105 HD3 LYS 27 HD1 LYS 27 -3.427 2.499 -9.129
106 HE2 LYS 27 HE2 LYS 27 -3.459 -0.437 -8.465
107 HE3 LYS 27 HE1 LYS 27 -4.648 0.309 -9.528
108 HZ1 LYS 27 HZ1 LYS 27 -2.779 1.052 -10.938
109 HZ2 LYS 27 HZ2 LYS 27 -2.909 -0.626 -10.839
110 HZ3 LYS 27 HZ3 LYS 27 -1.713 0.176 -9.959
111 H SER 28 HN SER 28 -2.492 4.805 -7.262
112 HA SER 28 HA SER 28 -4.045 5.230 -9.703
113 HB2 SER 28 HB2 SER 28 -5.177 4.140 -7.837
114 HB3 SER 28 HB1 SER 28 -4.813 5.512 -6.793
115 HG SER 28 HG SER 28 -6.303 5.759 -9.192
116 H CYS 29 HN CYS 29 -2.870 7.114 -6.911
117 HA CYS 29 HA CYS 29 -3.179 9.582 -8.444
118 HB2 CYS 29 HB2 CYS 29 -4.482 9.140 -5.745
119 HB3 CYS 29 HB1 CYS 29 -4.461 10.656 -6.641
120 HG CYS 29 HG CYS 29 -5.913 7.840 -7.924
121 HA PRO 30 HA PRO 30 0.645 10.359 -6.298
122 HB2 PRO 30 HB2 PRO 30 0.936 12.976 -6.909
123 HB3 PRO 30 HB1 PRO 30 1.183 11.686 -8.090
124 HG2 PRO 30 HG2 PRO 30 -1.213 13.432 -7.669
125 HG3 PRO 30 HG1 PRO 30 -0.433 12.952 -9.187
126 HD2 PRO 30 HD2 PRO 30 -2.677 11.754 -8.257
127 HD3 PRO 30 HD1 PRO 30 -1.452 10.887 -9.204
128 H LYS 31 HN LYS 31 -1.553 10.299 -4.586
129 HA LYS 31 HA LYS 31 -0.796 12.373 -2.648
130 HB2 LYS 31 HB2 LYS 31 -3.631 11.445 -3.195
131 HB3 LYS 31 HB1 LYS 31 -3.148 12.531 -1.899
132 HG2 LYS 31 HG2 LYS 31 -2.433 14.182 -3.543
133 HG3 LYS 31 HG1 LYS 31 -2.891 13.090 -4.849
134 HD2 LYS 31 HD2 LYS 31 -4.785 14.168 -2.765
135 HD3 LYS 31 HD1 LYS 31 -4.584 14.841 -4.383
136 HE2 LYS 31 HE2 LYS 31 -5.277 12.693 -5.349
137 HE3 LYS 31 HE1 LYS 31 -5.493 12.041 -3.725
138 HZ1 LYS 31 HZ1 LYS 31 -7.203 13.683 -3.317
139 HZ2 LYS 31 HZ2 LYS 31 -7.586 12.770 -4.686
140 HZ3 LYS 31 HZ3 LYS 31 -6.986 14.341 -4.861
141 H THR 32 HN THR 32 0.257 11.161 -1.185
142 HA THR 32 HA THR 32 0.838 9.447 0.196
143 HB THR 32 HB THR 32 -1.849 8.193 -0.425
144 HG1 THR 32 HG1 THR 32 -1.317 10.410 0.908
145 HG21 THR 32 HG21 THR 32 -0.206 6.621 0.504
146 HG22 THR 32 HG22 THR 32 -1.493 6.959 1.662
147 HG23 THR 32 HG23 THR 32 0.086 7.721 1.851
148 H PHE 33 HN PHE 33 2.021 7.549 -0.150
149 HA PHE 33 HA PHE 33 1.746 6.252 -2.709
150 HB2 PHE 33 HB2 PHE 33 3.960 6.870 -3.526
151 HB3 PHE 33 HB1 PHE 33 2.970 8.301 -3.280
152 HD1 PHE 33 HD1 PHE 33 6.178 7.289 -3.087
153 HD2 PHE 33 HD2 PHE 33 3.210 9.032 -0.587
154 HE1 PHE 33 HE1 PHE 33 7.943 8.251 -1.668
155 HE2 PHE 33 HE2 PHE 33 4.968 10.005 0.826
156 HZ PHE 33 HZ PHE 33 7.369 9.657 0.218
157 H GLN 34 HN GLN 34 3.499 4.606 -3.055
158 HA GLN 34 HA GLN 34 4.208 3.383 -0.473
159 HB2 GLN 34 HB2 GLN 34 2.339 2.409 -2.073
160 HB3 GLN 34 HB1 GLN 34 3.725 1.750 -2.923
161 HG2 GLN 34 HG2 GLN 34 4.435 0.802 -0.664
162 HG3 GLN 34 HG1 GLN 34 2.794 1.177 -0.138
163 HE21 GLN 34 HE21 GLN 34 3.964 -1.404 -0.295
164 HE22 GLN 34 HE22 GLN 34 3.053 -2.318 -1.442
165 H SER 35 HN SER 35 5.764 5.075 -2.525
166 HA SER 35 HA SER 35 7.593 3.316 -3.800
167 HB2 SER 35 HB2 SER 35 7.104 5.677 -4.519
168 HB3 SER 35 HB1 SER 35 8.060 6.227 -3.143
169 HG SER 35 HG SER 35 8.876 4.941 -5.495
170 H ASN 36 HN ASN 36 8.932 5.826 -1.729
171 HA ASN 36 HA ASN 36 10.606 3.812 -0.444
172 HB2 ASN 36 HB2 ASN 36 11.986 5.644 0.317
173 HB3 ASN 36 HB1 ASN 36 11.647 5.879 -1.393
174 HD21 ASN 36 HD21 ASN 36 12.451 7.806 0.618
175 HD22 ASN 36 HD22 ASN 36 11.224 9.022 0.635
176 H TYR 37 HN TYR 37 7.742 5.333 0.037
177 HA TYR 37 HA TYR 37 7.647 5.953 2.752
178 HB2 TYR 37 HB2 TYR 37 5.904 6.531 1.080
179 HB3 TYR 37 HB1 TYR 37 5.433 4.838 1.015
180 HD1 TYR 37 HD1 TYR 37 4.007 3.897 2.665
181 HD2 TYR 37 HD2 TYR 37 5.517 7.842 3.164
182 HE1 TYR 37 HE1 TYR 37 2.420 4.267 4.504
183 HE2 TYR 37 HE2 TYR 37 3.934 8.223 5.007
184 HH TYR 37 HH TYR 37 1.784 7.341 5.805
185 H VAL 38 HN VAL 38 7.500 2.903 1.073
186 HA VAL 38 HA VAL 38 6.481 1.205 3.001
187 HB VAL 38 HB VAL 38 8.709 0.683 1.029
188 HG11 VAL 38 HG11 VAL 38 8.246 -1.679 1.324
189 HG12 VAL 38 HG12 VAL 38 7.027 -1.311 2.545
190 HG13 VAL 38 HG13 VAL 38 8.727 -0.961 2.861
191 HG21 VAL 38 HG21 VAL 38 6.942 -0.324 -0.317
192 HG22 VAL 38 HG22 VAL 38 6.602 1.371 0.020
193 HG23 VAL 38 HG23 VAL 38 5.756 0.108 0.913
194 H ARG 39 HN ARG 39 9.864 2.256 2.581
195 HA ARG 39 HA ARG 39 10.873 0.818 4.780
196 HB2 ARG 39 HB2 ARG 39 11.865 3.196 3.266
197 HB3 ARG 39 HB1 ARG 39 12.674 2.715 4.750
198 HG2 ARG 39 HG2 ARG 39 13.892 1.643 3.101
199 HG3 ARG 39 HG1 ARG 39 12.806 0.384 3.685
200 HD2 ARG 39 HD2 ARG 39 12.801 0.247 1.319
201 HD3 ARG 39 HD1 ARG 39 11.266 0.982 1.785
202 HE ARG 39 HE ARG 39 12.647 3.163 1.318
203 HH11 ARG 39 HH11 ARG 39 12.716 0.167 -0.493
204 HH12 ARG 39 HH12 ARG 39 13.082 0.947 -2.003
205 HH21 ARG 39 HH21 ARG 39 13.167 4.179 -0.676
206 HH22 ARG 39 HH22 ARG 39 13.337 3.212 -2.105
207 H ASN 40 HN ASN 40 8.934 3.643 4.726
208 HA ASN 40 HA ASN 40 9.674 4.444 7.418
209 HB2 ASN 40 HB2 ASN 40 7.681 5.486 5.419
210 HB3 ASN 40 HB1 ASN 40 7.636 6.010 7.098
211 HD21 ASN 40 HD21 ASN 40 8.192 7.517 4.653
212 HD22 ASN 40 HD22 ASN 40 9.747 8.236 4.889
213 H ASN 41 HN ASN 41 6.727 3.230 5.812
214 HA ASN 41 HA ASN 41 5.828 2.264 8.445
215 HB2 ASN 41 HB2 ASN 41 4.269 3.679 6.305
216 HB3 ASN 41 HB1 ASN 41 3.459 2.550 7.386
217 HD21 ASN 41 HD21 ASN 41 3.152 5.458 7.139
218 HD22 ASN 41 HD22 ASN 41 3.490 6.092 8.714
219 H ALA 42 HN ALA 42 7.303 0.538 7.158
220 HA ALA 42 HA ALA 42 6.127 -1.122 5.247
221 HB1 ALA 42 HB1 ALA 42 7.728 -2.810 5.946
222 HB2 ALA 42 HB2 ALA 42 8.043 -1.924 7.437
223 HB3 ALA 42 HB3 ALA 42 8.499 -1.224 5.883
224 H SER 43 HN SER 43 5.658 -0.932 8.696
225 HA SER 43 HA SER 43 4.391 -3.410 9.091
226 HB2 SER 43 HB2 SER 43 3.818 -0.884 10.638
227 HB3 SER 43 HB1 SER 43 3.727 -2.550 11.208
228 HG SER 43 HG SER 43 5.957 -2.694 11.086
229 H LEU 44 HN LEU 44 3.195 -0.275 8.011
230 HA LEU 44 HA LEU 44 0.438 -0.974 8.115
231 HB2 LEU 44 HB2 LEU 44 1.879 1.105 6.463
232 HB3 LEU 44 HB1 LEU 44 0.136 0.934 6.520
233 HG LEU 44 HG LEU 44 1.952 1.734 8.795
234 HD11 LEU 44 HD11 LEU 44 -0.254 3.224 7.377
235 HD12 LEU 44 HD12 LEU 44 1.473 3.486 7.144
236 HD13 LEU 44 HD13 LEU 44 0.733 3.830 8.706
237 HD21 LEU 44 HD21 LEU 44 -0.128 2.003 10.097
238 HD22 LEU 44 HD22 LEU 44 0.209 0.322 9.683
239 HD23 LEU 44 HD23 LEU 44 -1.019 1.221 8.792
240 H VAL 45 HN VAL 45 2.916 -1.091 5.598
241 HA VAL 45 HA VAL 45 1.245 -2.025 3.524
242 HB VAL 45 HB VAL 45 4.202 -2.580 3.856
243 HG11 VAL 45 HG11 VAL 45 4.214 -2.751 1.424
244 HG12 VAL 45 HG12 VAL 45 2.470 -2.503 1.395
245 HG13 VAL 45 HG13 VAL 45 3.143 -3.950 2.147
246 HG21 VAL 45 HG21 VAL 45 2.843 -0.244 2.521
247 HG22 VAL 45 HG22 VAL 45 4.577 -0.572 2.526
248 HG23 VAL 45 HG23 VAL 45 3.748 -0.189 4.035
249 H ALA 46 HN ALA 46 2.901 -3.645 6.152
250 HA ALA 46 HA ALA 46 2.749 -6.290 5.215
251 HB1 ALA 46 HB1 ALA 46 4.168 -5.630 7.085
252 HB2 ALA 46 HB2 ALA 46 3.087 -6.945 7.547
253 HB3 ALA 46 HB3 ALA 46 2.739 -5.294 8.063
254 H GLU 47 HN GLU 47 0.400 -4.250 6.807
255 HA GLU 47 HA GLU 47 -1.506 -6.110 7.594
256 HB2 GLU 47 HB2 GLU 47 -1.717 -3.274 6.633
257 HB3 GLU 47 HB1 GLU 47 -3.153 -4.195 7.056
258 HG2 GLU 47 HG2 GLU 47 -0.837 -3.806 8.927
259 HG3 GLU 47 HG1 GLU 47 -2.229 -2.726 8.863
260 H ALA 48 HN ALA 48 -0.672 -4.978 4.427
261 HA ALA 48 HA ALA 48 -2.975 -5.587 2.980
262 HB1 ALA 48 HB1 ALA 48 -0.200 -5.983 1.931
263 HB2 ALA 48 HB2 ALA 48 -0.877 -4.386 2.225
264 HB3 ALA 48 HB3 ALA 48 -1.644 -5.466 1.059
265 H ALA 49 HN ALA 49 -0.534 -7.699 4.289
266 HA ALA 49 HA ALA 49 -1.068 -9.961 2.681
267 HB1 ALA 49 HB1 ALA 49 0.038 -11.243 4.453
268 HB2 ALA 49 HB2 ALA 49 -0.029 -9.835 5.512
269 HB3 ALA 49 HB3 ALA 49 0.948 -9.790 4.046
270 H SER 50 HN SER 50 -2.688 -8.506 5.366
271 HA SER 50 HA SER 50 -4.360 -10.736 6.008
272 HB2 SER 50 HB2 SER 50 -3.926 -8.952 7.644
273 HB3 SER 50 HB1 SER 50 -4.707 -7.780 6.586
274 HG SER 50 HG SER 50 -5.886 -9.984 7.918
275 H ARG 51 HN ARG 51 -4.706 -7.801 4.031
276 HA ARG 51 HA ARG 51 -7.343 -8.469 3.169
277 HB2 ARG 51 HB2 ARG 51 -5.391 -6.342 2.606
278 HB3 ARG 51 HB1 ARG 51 -6.457 -6.731 1.267
279 HG2 ARG 51 HG2 ARG 51 -7.427 -4.951 2.553
280 HG3 ARG 51 HG1 ARG 51 -8.400 -6.406 2.762
281 HD2 ARG 51 HD2 ARG 51 -6.945 -6.779 4.877
282 HD3 ARG 51 HD1 ARG 51 -6.547 -5.067 4.699
283 HE ARG 51 HE ARG 51 -9.168 -4.906 4.637
284 HH11 ARG 51 HH11 ARG 51 -7.167 -6.883 6.741
285 HH12 ARG 51 HH12 ARG 51 -8.310 -6.867 8.044
286 HH21 ARG 51 HH21 ARG 51 -10.658 -4.883 6.370
287 HH22 ARG 51 HH22 ARG 51 -10.291 -5.745 7.830
288 H GLY 52 HN GLY 52 -4.104 -9.037 1.902
289 HA2 GLY 52 HA2 GLY 52 -3.819 -11.301 1.090
290 HA3 GLY 52 HA1 GLY 52 -5.376 -11.159 0.305
291 H HIS 53 HN HIS 53 -3.254 -8.398 -0.053
292 HA HIS 53 HA HIS 53 -2.041 -9.525 -2.430
293 HB2 HIS 53 HB2 HIS 53 -4.273 -7.572 -2.591
294 HB3 HIS 53 HB1 HIS 53 -2.938 -7.387 -3.725
295 HD1 HIS 53 HD1 HIS 53 -5.982 -9.339 -3.124
296 HD2 HIS 53 HD2 HIS 53 -2.513 -9.742 -5.377
297 HE1 HIS 53 HE1 HIS 53 -6.477 -11.131 -4.809
298 HE2 HIS 53 HE2 HIS 53 -4.418 -11.259 -6.249
299 H ILE 54 HN ILE 54 -0.074 -8.898 -2.579
300 HA ILE 54 HA ILE 54 0.684 -6.153 -2.671
301 HB ILE 54 HB ILE 54 2.676 -6.886 -0.968
302 HG12 ILE 54 HG12 ILE 54 0.113 -7.882 0.293
303 HG13 ILE 54 HG11 ILE 54 1.430 -8.909 -0.261
304 HG21 ILE 54 HG21 ILE 54 0.165 -5.372 -0.305
305 HG22 ILE 54 HG22 ILE 54 1.630 -4.726 -1.045
306 HG23 ILE 54 HG23 ILE 54 1.666 -5.311 0.617
307 HD11 ILE 54 HD11 ILE 54 2.913 -7.931 1.388
308 HD12 ILE 54 HD12 ILE 54 1.465 -8.578 2.159
309 HD13 ILE 54 HD13 ILE 54 1.633 -6.840 1.916
310 H SER 55 HN SER 55 2.968 -5.924 -3.319
311 HA SER 55 HA SER 55 4.179 -8.405 -4.309
312 HB2 SER 55 HB2 SER 55 2.941 -7.333 -6.173
313 HB3 SER 55 HB1 SER 55 3.882 -5.862 -5.930
314 HG SER 55 HG SER 55 4.627 -8.302 -7.052
315 H CYS 56 HN CYS 56 6.368 -8.490 -3.981
316 HA CYS 56 HA CYS 56 7.584 -6.078 -2.801
317 HB2 CYS 56 HB2 CYS 56 9.091 -7.669 -1.608
318 HB3 CYS 56 HB1 CYS 56 7.394 -7.842 -1.172
319 HG CYS 56 HG CYS 56 8.330 -9.857 -3.666
320 H ALA 57 HN ALA 57 9.374 -5.247 -3.674
321 HA ALA 57 HA ALA 57 10.520 -6.516 -6.021
322 HB1 ALA 57 HB1 ALA 57 10.057 -4.109 -6.042
323 HB2 ALA 57 HB2 ALA 57 11.770 -4.444 -6.290
324 HB3 ALA 57 HB3 ALA 57 11.201 -3.881 -4.720
325 H THR 58 HN THR 58 11.730 -5.294 -2.896
326 HA THR 58 HA THR 58 13.436 -7.606 -2.701
327 HB THR 58 HB THR 58 14.698 -4.868 -2.533
328 HG1 THR 58 HG1 THR 58 14.304 -6.577 -4.610
329 HG21 THR 58 HG21 THR 58 15.939 -7.611 -2.305
330 HG22 THR 58 HG22 THR 58 15.669 -6.499 -0.963
331 HG23 THR 58 HG23 THR 58 16.797 -6.071 -2.249
332 H THR 59 HN THR 59 11.852 -4.907 -1.294
333 HA THR 59 HA THR 59 11.031 -4.488 0.770
334 HB THR 59 HB THR 59 11.952 -7.282 1.467
335 HG1 THR 59 HG1 THR 59 10.042 -7.942 0.683
336 HG21 THR 59 HG21 THR 59 11.521 -5.949 3.459
337 HG22 THR 59 HG22 THR 59 10.231 -7.132 3.233
338 HG23 THR 59 HG23 THR 59 9.962 -5.441 2.806
339 H SER 60 HN SER 60 14.143 -6.223 1.092
340 HA SER 60 HA SER 60 14.777 -4.559 3.404
341 HB2 SER 60 HB2 SER 60 16.308 -6.904 2.267
342 HB3 SER 60 HB1 SER 60 16.544 -6.152 3.843
343 HG SER 60 HG SER 60 14.290 -6.759 4.259
344 H GLY 61 HN GLY 61 15.112 -2.607 2.167
345 HA2 GLY 61 HA2 GLY 61 17.627 -1.742 2.051
346 HA3 GLY 61 HA1 GLY 61 17.442 -2.488 0.469
347 H ARG 62 HN ARG 62 17.679 0.394 1.550
348 HA ARG 62 HA ARG 62 15.245 1.627 0.640
349 HB2 ARG 62 HB2 ARG 62 16.374 3.737 0.995
350 HB3 ARG 62 HB1 ARG 62 16.687 2.678 2.359
351 HG2 ARG 62 HG2 ARG 62 18.905 2.202 1.533
352 HG3 ARG 62 HG1 ARG 62 18.594 3.144 0.073
353 HD2 ARG 62 HD2 ARG 62 18.692 4.188 2.902
354 HD3 ARG 62 HD1 ARG 62 19.903 4.447 1.649
355 HE ARG 62 HE ARG 62 17.223 5.367 1.025
356 HH11 ARG 62 HH11 ARG 62 20.391 6.208 2.239
357 HH12 ARG 62 HH12 ARG 62 20.194 7.904 1.941
358 HH21 ARG 62 HH21 ARG 62 16.947 7.588 0.638
359 HH22 ARG 62 HH22 ARG 62 18.226 8.695 1.036
360 H ASN 63 HN ASN 63 17.529 0.038 -0.960
361 HA ASN 63 HA ASN 63 17.894 1.818 -3.211
362 HB2 ASN 63 HB2 ASN 63 18.851 -0.925 -2.472
363 HB3 ASN 63 HB1 ASN 63 19.008 -0.355 -4.138
364 HD21 ASN 63 HD21 ASN 63 20.099 -0.003 -0.874
365 HD22 ASN 63 HD22 ASN 63 21.437 1.036 -1.209
366 H GLY 64 HN GLY 64 16.885 -1.593 -3.154
367 HA2 GLY 64 HA2 GLY 64 14.701 -0.864 -5.007
368 HA3 GLY 64 HA1 GLY 64 15.652 -2.332 -5.188
369 H GLY 65 HN GLY 65 15.403 -2.004 -1.988
370 HA2 GLY 65 HA2 GLY 65 13.383 -4.042 -1.794
371 HA3 GLY 65 HA1 GLY 65 14.284 -3.333 -0.463
372 H ALA 66 HN ALA 66 11.730 -2.651 -2.779
373 HA ALA 66 HA ALA 66 10.253 -1.315 -0.614
374 HB1 ALA 66 HB1 ALA 66 10.233 -0.592 -3.544
375 HB2 ALA 66 HB2 ALA 66 11.002 0.336 -2.257
376 HB3 ALA 66 HB3 ALA 66 9.247 0.158 -2.289
377 H TRP 67 HN TRP 67 7.960 -1.550 -0.743
378 HA TRP 67 HA TRP 67 7.093 -3.937 -2.206
379 HB2 TRP 67 HB2 TRP 67 5.964 -2.425 0.139
380 HB3 TRP 67 HB1 TRP 67 4.954 -3.521 -0.792
381 HD1 TRP 67 HD1 TRP 67 7.930 -3.526 1.629
382 HE1 TRP 67 HE1 TRP 67 8.191 -5.897 2.584
383 HE3 TRP 67 HE3 TRP 67 4.515 -5.963 -1.289
384 HZ2 TRP 67 HZ2 TRP 67 7.101 -8.461 2.161
385 HZ3 TRP 67 HZ3 TRP 67 4.185 -8.377 -0.949
386 HH2 TRP 67 HH2 TRP 67 5.452 -9.598 0.740
387 H GLU 68 HN GLU 68 5.137 -3.864 -3.431
388 HA GLU 68 HA GLU 68 4.005 -1.225 -3.974
389 HB2 GLU 68 HB2 GLU 68 4.054 -1.525 -6.365
390 HB3 GLU 68 HB1 GLU 68 5.691 -1.696 -5.752
391 HG2 GLU 68 HG2 GLU 68 5.422 -4.152 -5.854
392 HG3 GLU 68 HG1 GLU 68 3.836 -3.904 -6.591
393 H ILE 69 HN ILE 69 1.921 -1.536 -5.282
394 HA ILE 69 HA ILE 69 0.515 -3.802 -4.053
395 HB ILE 69 HB ILE 69 -0.213 -1.517 -3.403
396 HG12 ILE 69 HG12 ILE 69 -2.208 -3.194 -4.945
397 HG13 ILE 69 HG11 ILE 69 -1.793 -3.360 -3.245
398 HG21 ILE 69 HG21 ILE 69 0.263 -0.413 -5.529
399 HG22 ILE 69 HG22 ILE 69 -1.399 -0.128 -5.015
400 HG23 ILE 69 HG23 ILE 69 -1.060 -1.299 -6.288
401 HD11 ILE 69 HD11 ILE 69 -3.926 -2.282 -3.487
402 HD12 ILE 69 HD12 ILE 69 -3.217 -1.042 -4.521
403 HD13 ILE 69 HD13 ILE 69 -2.757 -1.143 -2.821
404 H THR 70 HN THR 70 -1.058 -4.932 -5.239
405 HA THR 70 HA THR 70 -0.601 -4.997 -8.108
406 HB THR 70 HB THR 70 -1.952 -7.047 -8.068
407 HG1 THR 70 HG1 THR 70 -3.381 -7.143 -6.500
408 HG21 THR 70 HG21 THR 70 0.425 -7.256 -7.595
409 HG22 THR 70 HG22 THR 70 -0.486 -8.420 -6.636
410 HG23 THR 70 HG23 THR 70 0.134 -6.952 -5.884
411 H ALA 71 HN ALA 71 -2.499 -5.021 -9.588
412 HA ALA 71 HA ALA 71 -4.061 -2.745 -9.319
413 HB1 ALA 71 HB1 ALA 71 -4.723 -5.174 -10.976
414 HB2 ALA 71 HB2 ALA 71 -3.613 -3.890 -11.453
415 HB3 ALA 71 HB3 ALA 71 -5.325 -3.535 -11.224
416 H SER 72 HN SER 72 -4.850 -6.091 -8.561
417 HA SER 72 HA SER 72 -7.579 -5.821 -8.102
418 HB2 SER 72 HB2 SER 72 -7.183 -7.887 -6.609
419 HB3 SER 72 HB1 SER 72 -6.747 -8.010 -8.313
420 HG SER 72 HG SER 72 -4.885 -8.608 -7.537
421 H GLY 73 HN GLY 73 -4.851 -5.174 -5.952
422 HA2 GLY 73 HA2 GLY 73 -6.246 -5.357 -3.511
423 HA3 GLY 73 HA1 GLY 73 -4.737 -4.491 -3.769
424 H THR 74 HN THR 74 -5.863 -2.796 -5.820
425 HA THR 74 HA THR 74 -6.448 -0.594 -4.203
426 HB THR 74 HB THR 74 -6.901 -0.981 -7.166
427 HG1 THR 74 HG1 THR 74 -4.684 -1.034 -5.855
428 HG21 THR 74 HG21 THR 74 -6.708 1.487 -7.288
429 HG22 THR 74 HG22 THR 74 -6.724 1.549 -5.526
430 HG23 THR 74 HG23 THR 74 -8.136 0.958 -6.397
431 H ARG 75 HN ARG 75 -8.593 -2.850 -5.861
432 HA ARG 75 HA ARG 75 -10.823 -1.050 -5.825
433 HB2 ARG 75 HB2 ARG 75 -10.653 -3.996 -6.454
434 HB3 ARG 75 HB1 ARG 75 -12.087 -3.004 -6.691
435 HG2 ARG 75 HG2 ARG 75 -10.946 -1.649 -8.315
436 HG3 ARG 75 HG1 ARG 75 -9.429 -2.495 -8.007
437 HD2 ARG 75 HD2 ARG 75 -10.367 -4.554 -8.861
438 HD3 ARG 75 HD1 ARG 75 -11.936 -3.778 -9.078
439 HE ARG 75 HE ARG 75 -10.331 -2.231 -10.576
440 HH11 ARG 75 HH11 ARG 75 -10.688 -5.707 -10.399
441 HH12 ARG 75 HH12 ARG 75 -10.332 -5.955 -12.078
442 HH21 ARG 75 HH21 ARG 75 -9.849 -2.565 -12.791
443 HH22 ARG 75 HH22 ARG 75 -9.859 -4.174 -13.437
444 H PHE 76 HN PHE 76 -10.238 -4.165 -4.137
445 HA PHE 76 HA PHE 76 -12.621 -3.817 -2.600
446 HB2 PHE 76 HB2 PHE 76 -11.646 -5.826 -1.288
447 HB3 PHE 76 HB1 PHE 76 -12.229 -6.044 -2.923
448 HD1 PHE 76 HD1 PHE 76 -9.136 -5.454 -0.979
449 HD2 PHE 76 HD2 PHE 76 -10.862 -7.080 -4.515
450 HE1 PHE 76 HE1 PHE 76 -6.958 -6.408 -1.597
451 HE2 PHE 76 HE2 PHE 76 -8.684 -8.042 -5.134
452 HZ PHE 76 HZ PHE 76 -6.805 -7.860 -3.683
453 H LEU 77 HN LEU 77 -9.206 -3.436 -1.909
454 HA LEU 77 HA LEU 77 -9.561 -3.248 0.881
455 HB2 LEU 77 HB2 LEU 77 -7.411 -3.720 0.706
456 HB3 LEU 77 HB1 LEU 77 -7.394 -3.275 -0.987
457 HG LEU 77 HG LEU 77 -7.328 -1.035 0.918
458 HD11 LEU 77 HD11 LEU 77 -5.021 -2.947 0.584
459 HD12 LEU 77 HD12 LEU 77 -5.883 -2.587 2.081
460 HD13 LEU 77 HD13 LEU 77 -4.905 -1.342 1.304
461 HD21 LEU 77 HD21 LEU 77 -7.170 -0.676 -1.480
462 HD22 LEU 77 HD22 LEU 77 -5.760 -1.732 -1.561
463 HD23 LEU 77 HD23 LEU 77 -5.669 -0.203 -0.685
464 H LYS 78 HN LYS 78 -9.334 -0.763 -1.643
465 HA LYS 78 HA LYS 78 -9.032 1.405 0.161
466 HB2 LYS 78 HB2 LYS 78 -8.397 1.589 -2.188
467 HB3 LYS 78 HB1 LYS 78 -10.076 1.392 -2.671
468 HG2 LYS 78 HG2 LYS 78 -10.660 3.491 -1.607
469 HG3 LYS 78 HG1 LYS 78 -9.003 3.681 -1.028
470 HD2 LYS 78 HD2 LYS 78 -9.374 5.041 -3.008
471 HD3 LYS 78 HD1 LYS 78 -8.213 3.759 -3.347
472 HE2 LYS 78 HE2 LYS 78 -9.752 3.968 -5.198
473 HE3 LYS 78 HE1 LYS 78 -10.022 2.433 -4.379
474 HZ1 LYS 78 HZ1 LYS 78 -11.901 3.483 -3.212
475 HZ2 LYS 78 HZ2 LYS 78 -12.112 3.459 -4.886
476 HZ3 LYS 78 HZ3 LYS 78 -11.663 4.895 -4.114
477 H ARG 79 HN ARG 79 -11.818 -0.295 -1.074
478 HA ARG 79 HA ARG 79 -13.714 1.734 -0.378
479 HB2 ARG 79 HB2 ARG 79 -15.408 0.234 -1.048
480 HB3 ARG 79 HB1 ARG 79 -14.059 -0.085 -2.127
481 HG2 ARG 79 HG2 ARG 79 -13.452 -2.038 -0.811
482 HG3 ARG 79 HG1 ARG 79 -14.781 -1.707 0.301
483 HD2 ARG 79 HD2 ARG 79 -15.379 -3.449 -1.301
484 HD3 ARG 79 HD1 ARG 79 -16.385 -2.018 -1.513
485 HE ARG 79 HE ARG 79 -14.716 -1.474 -3.372
486 HH11 ARG 79 HH11 ARG 79 -15.677 -4.719 -2.476
487 HH12 ARG 79 HH12 ARG 79 -15.379 -5.376 -4.056
488 HH21 ARG 79 HH21 ARG 79 -14.352 -2.327 -5.449
489 HH22 ARG 79 HH22 ARG 79 -14.637 -4.014 -5.748
490 H MET 80 HN MET 80 -11.976 -0.545 1.402
491 HA MET 80 HA MET 80 -13.930 -1.163 3.397
492 HB2 MET 80 HB2 MET 80 -10.917 -1.405 3.491
493 HB3 MET 80 HB1 MET 80 -12.026 -2.092 4.666
494 HG2 MET 80 HG2 MET 80 -13.006 -3.480 2.878
495 HG3 MET 80 HG1 MET 80 -11.813 -2.826 1.759
496 HE1 MET 80 HE1 MET 80 -11.054 -5.280 1.112
497 HE2 MET 80 HE2 MET 80 -12.255 -5.934 2.226
498 HE3 MET 80 HE3 MET 80 -10.588 -6.501 2.295
499 H GLY 81 HN GLY 81 -12.817 1.743 2.726
500 HA2 GLY 81 HA2 GLY 81 -13.413 3.534 4.244
501 HA3 GLY 81 HA1 GLY 81 -12.835 2.535 5.567
502 H GLY 82 HN GLY 82 -11.291 3.275 2.462
503 HA2 GLY 82 HA2 GLY 82 -8.734 3.536 3.554
504 HA3 GLY 82 HA1 GLY 82 -9.222 4.128 1.977
505 H CYS 83 HN CYS 83 -8.295 4.917 5.112
506 HA CYS 83 HA CYS 83 -7.851 6.840 6.209
507 HB2 CYS 83 HB2 CYS 83 -8.016 8.022 3.441
508 HB3 CYS 83 HB1 CYS 83 -7.313 8.820 4.843
509 HG CYS 83 HG CYS 83 -5.042 7.476 4.945
510 H VAL 84 HN VAL 84 -10.680 6.066 5.774
511 HA VAL 84 HA VAL 84 -11.773 8.660 6.590
512 HB VAL 84 HB VAL 84 -12.726 8.421 4.441
513 HG11 VAL 84 HG11 VAL 84 -13.423 5.580 5.153
514 HG12 VAL 84 HG12 VAL 84 -12.206 6.105 3.991
515 HG13 VAL 84 HG13 VAL 84 -13.914 6.412 3.678
516 HG21 VAL 84 HG21 VAL 84 -15.118 8.151 4.890
517 HG22 VAL 84 HG22 VAL 84 -14.322 9.093 6.151
518 HG23 VAL 84 HG23 VAL 84 -14.740 7.405 6.442
Start of MODEL 5
1 H1 MET 16 HT1 MET 16 -7.625 0.598 10.239
2 H2 MET 16 HT2 MET 16 -6.053 1.214 10.235
3 H3 MET 16 HT3 MET 16 -6.332 -0.390 10.692
4 HA MET 16 HA MET 16 -5.429 -0.352 8.497
5 HB2 MET 16 HB2 MET 16 -7.094 -1.651 7.350
6 HB3 MET 16 HB1 MET 16 -7.210 -2.021 9.064
7 HG2 MET 16 HG2 MET 16 -9.169 -0.664 9.289
8 HG3 MET 16 HG1 MET 16 -9.000 -0.066 7.642
9 HE1 MET 16 HE1 MET 16 -10.086 -4.425 8.695
10 HE2 MET 16 HE2 MET 16 -9.806 -3.170 9.900
11 HE3 MET 16 HE3 MET 16 -8.468 -3.760 8.915
12 H SER 17 HN SER 17 -7.857 2.035 9.063
13 HA SER 17 HA SER 17 -8.662 2.701 6.501
14 HB2 SER 17 HB2 SER 17 -9.653 3.602 8.593
15 HB3 SER 17 HB1 SER 17 -8.219 4.604 8.814
16 HG SER 17 HG SER 17 -10.102 4.722 6.689
17 H ASP 18 HN ASP 18 -5.895 3.944 8.339
18 HA ASP 18 HA ASP 18 -4.967 5.714 6.335
19 HB2 ASP 18 HB2 ASP 18 -3.453 4.367 8.580
20 HB3 ASP 18 HB1 ASP 18 -2.847 5.715 7.624
21 H TYR 19 HN TYR 19 -4.095 2.414 7.222
22 HA TYR 19 HA TYR 19 -1.989 2.017 5.442
23 HB2 TYR 19 HB2 TYR 19 -1.960 0.183 6.746
24 HB3 TYR 19 HB1 TYR 19 -3.644 0.398 7.192
25 HD1 TYR 19 HD1 TYR 19 -5.268 -1.064 6.407
26 HD2 TYR 19 HD2 TYR 19 -1.466 -1.002 4.499
27 HE1 TYR 19 HE1 TYR 19 -5.911 -3.019 5.071
28 HE2 TYR 19 HE2 TYR 19 -2.107 -2.951 3.160
29 HH TYR 19 HH TYR 19 -5.278 -4.021 2.891
30 H LEU 20 HN LEU 20 -5.460 1.772 4.923
31 HA LEU 20 HA LEU 20 -5.554 0.138 2.707
32 HB2 LEU 20 HB2 LEU 20 -7.295 2.534 3.262
33 HB3 LEU 20 HB1 LEU 20 -7.665 1.256 2.120
34 HG LEU 20 HG LEU 20 -7.421 0.915 5.112
35 HD11 LEU 20 HD11 LEU 20 -9.827 0.484 5.023
36 HD12 LEU 20 HD12 LEU 20 -9.828 0.887 3.305
37 HD13 LEU 20 HD13 LEU 20 -9.427 2.120 4.501
38 HD21 LEU 20 HD21 LEU 20 -6.709 -1.091 3.969
39 HD22 LEU 20 HD22 LEU 20 -8.153 -1.062 2.957
40 HD23 LEU 20 HD23 LEU 20 -8.296 -1.347 4.692
41 H LYS 21 HN LYS 21 -5.253 3.690 2.699
42 HA LYS 21 HA LYS 21 -5.038 3.673 -0.171
43 HB2 LYS 21 HB2 LYS 21 -4.854 5.922 1.817
44 HB3 LYS 21 HB1 LYS 21 -4.747 6.130 0.073
45 HG2 LYS 21 HG2 LYS 21 -7.011 4.946 -0.026
46 HG3 LYS 21 HG1 LYS 21 -7.095 5.245 1.713
47 HD2 LYS 21 HD2 LYS 21 -8.237 7.024 0.562
48 HD3 LYS 21 HD1 LYS 21 -6.743 7.664 1.250
49 HE2 LYS 21 HE2 LYS 21 -5.653 7.490 -0.925
50 HE3 LYS 21 HE1 LYS 21 -7.119 6.801 -1.618
51 HZ1 LYS 21 HZ1 LYS 21 -8.266 8.876 -1.121
52 HZ2 LYS 21 HZ2 LYS 21 -6.934 9.142 -2.125
53 HZ3 LYS 21 HZ3 LYS 21 -6.843 9.530 -0.482
54 H VAL 22 HN VAL 22 -2.835 3.267 2.351
55 HA VAL 22 HA VAL 22 -0.584 4.675 1.580
56 HB VAL 22 HB VAL 22 -0.910 1.992 2.904
57 HG11 VAL 22 HG11 VAL 22 1.178 1.869 1.590
58 HG12 VAL 22 HG12 VAL 22 1.470 1.861 3.327
59 HG13 VAL 22 HG13 VAL 22 1.747 3.334 2.394
60 HG21 VAL 22 HG21 VAL 22 0.082 3.234 4.810
61 HG22 VAL 22 HG22 VAL 22 -1.439 3.918 4.235
62 HG23 VAL 22 HG23 VAL 22 0.090 4.687 3.807
63 H LEU 23 HN LEU 23 -1.218 1.270 0.659
64 HA LEU 23 HA LEU 23 0.814 1.387 -1.325
65 HB2 LEU 23 HB2 LEU 23 -0.648 -0.844 -1.980
66 HB3 LEU 23 HB1 LEU 23 0.769 -0.785 -0.960
67 HG LEU 23 HG LEU 23 -0.745 -0.574 1.021
68 HD11 LEU 23 HD11 LEU 23 -2.874 -1.123 -1.041
69 HD12 LEU 23 HD12 LEU 23 -2.734 0.302 -0.010
70 HD13 LEU 23 HD13 LEU 23 -3.097 -1.268 0.701
71 HD21 LEU 23 HD21 LEU 23 0.216 -2.702 0.454
72 HD22 LEU 23 HD22 LEU 23 -1.036 -2.991 -0.754
73 HD23 LEU 23 HD23 LEU 23 -1.458 -2.944 0.956
74 H GLN 24 HN GLN 24 -2.744 1.576 -1.536
75 HA GLN 24 HA GLN 24 -2.645 1.209 -4.368
76 HB2 GLN 24 HB2 GLN 24 -5.047 1.542 -4.375
77 HB3 GLN 24 HB1 GLN 24 -4.558 0.379 -3.158
78 HG2 GLN 24 HG2 GLN 24 -6.170 1.627 -2.078
79 HG3 GLN 24 HG1 GLN 24 -4.671 2.372 -1.531
80 HE21 GLN 24 HE21 GLN 24 -5.973 2.886 -4.737
81 HE22 GLN 24 HE22 GLN 24 -6.414 4.537 -4.505
82 H ALA 25 HN ALA 25 -2.585 4.047 -2.344
83 HA ALA 25 HA ALA 25 -3.768 5.849 -4.129
84 HB1 ALA 25 HB1 ALA 25 -2.705 7.616 -2.876
85 HB2 ALA 25 HB2 ALA 25 -1.596 6.460 -2.137
86 HB3 ALA 25 HB3 ALA 25 -3.322 6.379 -1.780
87 H ILE 26 HN ILE 26 -0.318 5.081 -3.689
88 HA ILE 26 HA ILE 26 0.780 6.873 -5.433
89 HB ILE 26 HB ILE 26 2.180 5.561 -4.032
90 HG12 ILE 26 HG12 ILE 26 2.952 6.251 -6.458
91 HG13 ILE 26 HG11 ILE 26 4.004 5.327 -5.397
92 HG21 ILE 26 HG21 ILE 26 1.428 3.126 -5.619
93 HG22 ILE 26 HG22 ILE 26 0.849 3.520 -4.000
94 HG23 ILE 26 HG23 ILE 26 2.560 3.192 -4.265
95 HD11 ILE 26 HD11 ILE 26 3.388 3.277 -6.558
96 HD12 ILE 26 HD12 ILE 26 4.030 4.476 -7.680
97 HD13 ILE 26 HD13 ILE 26 2.293 4.185 -7.599
98 H LYS 27 HN LYS 27 -0.696 3.750 -6.339
99 HA LYS 27 HA LYS 27 0.211 3.958 -9.044
100 HB2 LYS 27 HB2 LYS 27 -1.080 1.970 -9.443
101 HB3 LYS 27 HB1 LYS 27 -0.209 1.792 -7.938
102 HG2 LYS 27 HG2 LYS 27 -2.233 2.282 -6.691
103 HG3 LYS 27 HG1 LYS 27 -3.118 2.508 -8.199
104 HD2 LYS 27 HD2 LYS 27 -1.678 -0.057 -7.758
105 HD3 LYS 27 HD1 LYS 27 -3.185 0.220 -6.889
106 HE2 LYS 27 HE2 LYS 27 -3.681 -0.959 -8.909
107 HE3 LYS 27 HE1 LYS 27 -4.289 0.686 -9.061
108 HZ1 LYS 27 HZ1 LYS 27 -3.156 -0.140 -11.066
109 HZ2 LYS 27 HZ2 LYS 27 -1.713 -0.264 -10.195
110 HZ3 LYS 27 HZ3 LYS 27 -2.427 1.249 -10.439
111 H SER 28 HN SER 28 -2.651 4.915 -7.300
112 HA SER 28 HA SER 28 -4.141 5.323 -9.776
113 HB2 SER 28 HB2 SER 28 -5.045 5.528 -6.897
114 HB3 SER 28 HB1 SER 28 -6.089 5.606 -8.315
115 HG SER 28 HG SER 28 -5.057 3.445 -8.798
116 H CYS 29 HN CYS 29 -2.898 7.213 -7.039
117 HA CYS 29 HA CYS 29 -3.468 9.677 -8.502
118 HB2 CYS 29 HB2 CYS 29 -5.471 9.195 -7.110
119 HB3 CYS 29 HB1 CYS 29 -4.449 9.191 -5.678
120 HG CYS 29 HG CYS 29 -5.354 11.838 -7.625
121 HA PRO 30 HA PRO 30 0.553 10.627 -6.884
122 HB2 PRO 30 HB2 PRO 30 0.526 13.324 -7.302
123 HB3 PRO 30 HB1 PRO 30 0.797 12.135 -8.581
124 HG2 PRO 30 HG2 PRO 30 -1.713 13.585 -7.842
125 HG3 PRO 30 HG1 PRO 30 -1.047 13.253 -9.450
126 HD2 PRO 30 HD2 PRO 30 -3.058 11.796 -8.408
127 HD3 PRO 30 HD1 PRO 30 -1.822 11.073 -9.459
128 H LYS 31 HN LYS 31 -2.319 11.503 -5.386
129 HA LYS 31 HA LYS 31 -0.967 12.859 -3.166
130 HB2 LYS 31 HB2 LYS 31 -3.901 12.218 -3.557
131 HB3 LYS 31 HB1 LYS 31 -3.227 13.145 -2.225
132 HG2 LYS 31 HG2 LYS 31 -2.383 14.781 -3.942
133 HG3 LYS 31 HG1 LYS 31 -3.356 13.908 -5.126
134 HD2 LYS 31 HD2 LYS 31 -4.417 15.179 -2.604
135 HD3 LYS 31 HD1 LYS 31 -4.505 15.896 -4.210
136 HE2 LYS 31 HE2 LYS 31 -5.728 13.250 -3.440
137 HE3 LYS 31 HE1 LYS 31 -6.603 14.779 -3.500
138 HZ1 LYS 31 HZ1 LYS 31 -6.045 14.931 -5.863
139 HZ2 LYS 31 HZ2 LYS 31 -6.946 13.544 -5.519
140 HZ3 LYS 31 HZ3 LYS 31 -5.280 13.425 -5.788
141 H THR 32 HN THR 32 -0.291 11.733 -1.448
142 HA THR 32 HA THR 32 0.212 9.972 -0.097
143 HB THR 32 HB THR 32 -2.362 8.683 -1.039
144 HG1 THR 32 HG1 THR 32 -1.815 10.689 0.867
145 HG21 THR 32 HG21 THR 32 -0.816 7.161 0.120
146 HG22 THR 32 HG22 THR 32 -2.255 7.482 1.090
147 HG23 THR 32 HG23 THR 32 -0.732 8.285 1.476
148 H PHE 33 HN PHE 33 1.389 8.037 -0.297
149 HA PHE 33 HA PHE 33 1.453 6.743 -2.859
150 HB2 PHE 33 HB2 PHE 33 3.691 7.395 -3.462
151 HB3 PHE 33 HB1 PHE 33 2.743 8.856 -3.212
152 HD1 PHE 33 HD1 PHE 33 5.871 7.612 -2.767
153 HD2 PHE 33 HD2 PHE 33 2.791 9.501 -0.521
154 HE1 PHE 33 HE1 PHE 33 7.546 8.419 -1.155
155 HE2 PHE 33 HE2 PHE 33 4.461 10.317 1.088
156 HZ PHE 33 HZ PHE 33 6.876 9.799 0.725
157 H GLN 34 HN GLN 34 3.277 5.143 -2.918
158 HA GLN 34 HA GLN 34 3.668 4.023 -0.238
159 HB2 GLN 34 HB2 GLN 34 2.686 2.128 -0.917
160 HB3 GLN 34 HB1 GLN 34 2.163 3.006 -2.330
161 HG2 GLN 34 HG2 GLN 34 4.202 2.283 -3.494
162 HG3 GLN 34 HG1 GLN 34 4.635 1.325 -2.080
163 HE21 GLN 34 HE21 GLN 34 3.273 -0.428 -1.490
164 HE22 GLN 34 HE22 GLN 34 2.287 -1.211 -2.671
165 H SER 35 HN SER 35 5.110 5.170 -3.051
166 HA SER 35 HA SER 35 7.078 3.558 -3.878
167 HB2 SER 35 HB2 SER 35 7.525 6.499 -3.394
168 HB3 SER 35 HB1 SER 35 8.236 5.494 -4.660
169 HG SER 35 HG SER 35 6.391 6.814 -5.310
170 H ASN 36 HN ASN 36 8.118 6.164 -1.662
171 HA ASN 36 HA ASN 36 9.977 4.220 -0.483
172 HB2 ASN 36 HB2 ASN 36 11.283 6.145 0.309
173 HB3 ASN 36 HB1 ASN 36 11.069 6.194 -1.434
174 HD21 ASN 36 HD21 ASN 36 11.349 8.344 -1.685
175 HD22 ASN 36 HD22 ASN 36 10.259 9.539 -1.068
176 H TYR 37 HN TYR 37 7.037 5.320 0.006
177 HA TYR 37 HA TYR 37 7.039 6.088 2.748
178 HB2 TYR 37 HB2 TYR 37 5.271 6.695 1.084
179 HB3 TYR 37 HB1 TYR 37 4.767 5.011 1.068
180 HD1 TYR 37 HD1 TYR 37 3.637 4.032 3.008
181 HD2 TYR 37 HD2 TYR 37 4.722 8.142 2.933
182 HE1 TYR 37 HE1 TYR 37 2.140 4.456 4.911
183 HE2 TYR 37 HE2 TYR 37 3.228 8.578 4.836
184 HH TYR 37 HH TYR 37 1.953 6.157 6.762
185 H VAL 38 HN VAL 38 6.620 3.094 0.966
186 HA VAL 38 HA VAL 38 5.813 1.400 3.041
187 HB VAL 38 HB VAL 38 7.491 0.832 0.593
188 HG11 VAL 38 HG11 VAL 38 6.308 -1.120 2.564
189 HG12 VAL 38 HG12 VAL 38 8.017 -0.869 2.214
190 HG13 VAL 38 HG13 VAL 38 6.957 -1.553 0.985
191 HG21 VAL 38 HG21 VAL 38 5.397 -0.208 -0.220
192 HG22 VAL 38 HG22 VAL 38 5.246 1.524 0.076
193 HG23 VAL 38 HG23 VAL 38 4.582 0.372 1.232
194 H ARG 39 HN ARG 39 8.949 2.688 2.200
195 HA ARG 39 HA ARG 39 10.537 0.924 3.696
196 HB2 ARG 39 HB2 ARG 39 10.995 3.788 2.879
197 HB3 ARG 39 HB1 ARG 39 12.222 2.775 3.630
198 HG2 ARG 39 HG2 ARG 39 10.825 2.139 1.045
199 HG3 ARG 39 HG1 ARG 39 12.417 2.892 1.171
200 HD2 ARG 39 HD2 ARG 39 11.617 0.146 2.138
201 HD3 ARG 39 HD1 ARG 39 12.671 0.524 0.776
202 HE ARG 39 HE ARG 39 13.671 1.678 3.166
203 HH11 ARG 39 HH11 ARG 39 13.422 -1.348 1.442
204 HH12 ARG 39 HH12 ARG 39 14.809 -2.050 2.216
205 HH21 ARG 39 HH21 ARG 39 15.480 0.772 4.198
206 HH22 ARG 39 HH22 ARG 39 15.982 -0.839 3.793
207 H ASN 40 HN ASN 40 8.823 3.864 4.556
208 HA ASN 40 HA ASN 40 9.900 3.874 7.244
209 HB2 ASN 40 HB2 ASN 40 7.755 5.576 5.958
210 HB3 ASN 40 HB1 ASN 40 8.383 5.812 7.584
211 HD21 ASN 40 HD21 ASN 40 10.467 6.603 7.857
212 HD22 ASN 40 HD22 ASN 40 11.331 7.374 6.575
213 H ASN 41 HN ASN 41 6.821 3.143 5.649
214 HA ASN 41 HA ASN 41 5.786 2.225 8.253
215 HB2 ASN 41 HB2 ASN 41 4.279 3.352 5.885
216 HB3 ASN 41 HB1 ASN 41 3.509 2.619 7.288
217 HD21 ASN 41 HD21 ASN 41 5.282 5.356 6.099
218 HD22 ASN 41 HD22 ASN 41 4.992 6.380 7.460
219 H ALA 42 HN ALA 42 7.305 0.422 7.026
220 HA ALA 42 HA ALA 42 6.026 -1.265 5.169
221 HB1 ALA 42 HB1 ALA 42 8.104 -2.023 7.222
222 HB2 ALA 42 HB2 ALA 42 8.444 -1.330 5.637
223 HB3 ALA 42 HB3 ALA 42 7.694 -2.922 5.762
224 H SER 43 HN SER 43 5.774 -0.965 8.625
225 HA SER 43 HA SER 43 4.558 -3.440 9.180
226 HB2 SER 43 HB2 SER 43 3.674 -2.149 11.211
227 HB3 SER 43 HB1 SER 43 5.425 -2.251 11.017
228 HG SER 43 HG SER 43 4.495 -0.104 11.491
229 H LEU 44 HN LEU 44 3.242 -0.311 8.190
230 HA LEU 44 HA LEU 44 0.511 -1.027 8.430
231 HB2 LEU 44 HB2 LEU 44 1.826 1.005 6.622
232 HB3 LEU 44 HB1 LEU 44 0.097 0.852 6.848
233 HG LEU 44 HG LEU 44 2.126 1.712 8.908
234 HD11 LEU 44 HD11 LEU 44 1.496 3.423 7.282
235 HD12 LEU 44 HD12 LEU 44 0.861 3.799 8.885
236 HD13 LEU 44 HD13 LEU 44 -0.209 3.145 7.644
237 HD21 LEU 44 HD21 LEU 44 0.466 0.312 9.993
238 HD22 LEU 44 HD22 LEU 44 -0.833 1.228 9.228
239 HD23 LEU 44 HD23 LEU 44 0.209 2.004 10.419
240 H VAL 45 HN VAL 45 2.832 -1.170 5.785
241 HA VAL 45 HA VAL 45 1.090 -2.059 3.770
242 HB VAL 45 HB VAL 45 4.022 -2.735 4.021
243 HG11 VAL 45 HG11 VAL 45 2.854 -3.983 2.280
244 HG12 VAL 45 HG12 VAL 45 3.978 -2.818 1.582
245 HG13 VAL 45 HG13 VAL 45 2.248 -2.473 1.599
246 HG21 VAL 45 HG21 VAL 45 3.654 -0.332 4.307
247 HG22 VAL 45 HG22 VAL 45 2.757 -0.295 2.789
248 HG23 VAL 45 HG23 VAL 45 4.473 -0.696 2.791
249 H ALA 46 HN ALA 46 2.780 -3.745 6.331
250 HA ALA 46 HA ALA 46 2.589 -6.370 5.370
251 HB1 ALA 46 HB1 ALA 46 2.932 -7.051 7.708
252 HB2 ALA 46 HB2 ALA 46 2.660 -5.383 8.220
253 HB3 ALA 46 HB3 ALA 46 4.048 -5.782 7.208
254 H GLU 47 HN GLU 47 0.213 -4.325 6.875
255 HA GLU 47 HA GLU 47 -1.683 -6.239 7.650
256 HB2 GLU 47 HB2 GLU 47 -1.917 -3.381 6.752
257 HB3 GLU 47 HB1 GLU 47 -3.342 -4.329 7.153
258 HG2 GLU 47 HG2 GLU 47 -1.034 -3.947 9.038
259 HG3 GLU 47 HG1 GLU 47 -2.440 -2.883 8.991
260 H ALA 48 HN ALA 48 -0.773 -5.030 4.545
261 HA ALA 48 HA ALA 48 -3.059 -5.592 3.037
262 HB1 ALA 48 HB1 ALA 48 -1.088 -4.270 2.304
263 HB2 ALA 48 HB2 ALA 48 -1.639 -5.461 1.123
264 HB3 ALA 48 HB3 ALA 48 -0.211 -5.785 2.107
265 H ALA 49 HN ALA 49 -0.588 -7.704 4.282
266 HA ALA 49 HA ALA 49 -1.019 -9.891 2.554
267 HB1 ALA 49 HB1 ALA 49 0.960 -9.717 3.978
268 HB2 ALA 49 HB2 ALA 49 0.106 -11.233 4.260
269 HB3 ALA 49 HB3 ALA 49 -0.048 -9.907 5.412
270 H SER 50 HN SER 50 -2.645 -8.727 5.408
271 HA SER 50 HA SER 50 -4.263 -11.049 5.818
272 HB2 SER 50 HB2 SER 50 -4.764 -8.217 6.764
273 HB3 SER 50 HB1 SER 50 -5.441 -9.699 7.443
274 HG SER 50 HG SER 50 -2.866 -10.066 7.466
275 H ARG 51 HN ARG 51 -4.598 -8.022 4.029
276 HA ARG 51 HA ARG 51 -7.285 -8.539 3.202
277 HB2 ARG 51 HB2 ARG 51 -5.162 -6.591 2.465
278 HB3 ARG 51 HB1 ARG 51 -6.438 -6.870 1.294
279 HG2 ARG 51 HG2 ARG 51 -6.969 -4.954 2.655
280 HG3 ARG 51 HG1 ARG 51 -8.111 -6.253 2.985
281 HD2 ARG 51 HD2 ARG 51 -5.683 -5.921 4.703
282 HD3 ARG 51 HD1 ARG 51 -7.085 -4.882 4.949
283 HE ARG 51 HE ARG 51 -7.911 -7.574 4.863
284 HH11 ARG 51 HH11 ARG 51 -6.149 -5.372 6.948
285 HH12 ARG 51 HH12 ARG 51 -6.617 -6.184 8.407
286 HH21 ARG 51 HH21 ARG 51 -8.509 -8.647 6.779
287 HH22 ARG 51 HH22 ARG 51 -7.947 -8.047 8.312
288 H GLY 52 HN GLY 52 -4.107 -9.388 2.063
289 HA2 GLY 52 HA2 GLY 52 -3.844 -11.520 1.023
290 HA3 GLY 52 HA1 GLY 52 -5.425 -11.322 0.291
291 H HIS 53 HN HIS 53 -2.971 -8.765 0.239
292 HA HIS 53 HA HIS 53 -2.052 -9.597 -2.369
293 HB2 HIS 53 HB2 HIS 53 -2.908 -7.855 -3.671
294 HB3 HIS 53 HB1 HIS 53 -4.271 -8.313 -2.661
295 HD1 HIS 53 HD1 HIS 53 -5.012 -6.619 -0.835
296 HD2 HIS 53 HD2 HIS 53 -1.882 -5.309 -3.242
297 HE1 HIS 53 HE1 HIS 53 -4.801 -4.157 -0.376
298 HE2 HIS 53 HE2 HIS 53 -2.792 -3.423 -1.710
299 H ILE 54 HN ILE 54 0.013 -9.088 -2.573
300 HA ILE 54 HA ILE 54 0.959 -6.453 -2.065
301 HB ILE 54 HB ILE 54 3.038 -7.538 -0.795
302 HG12 ILE 54 HG12 ILE 54 0.673 -9.069 0.297
303 HG13 ILE 54 HG11 ILE 54 2.020 -9.760 -0.602
304 HG21 ILE 54 HG21 ILE 54 1.958 -5.543 -0.077
305 HG22 ILE 54 HG22 ILE 54 2.102 -6.626 1.308
306 HG23 ILE 54 HG23 ILE 54 0.552 -6.446 0.484
307 HD11 ILE 54 HD11 ILE 54 2.155 -8.435 2.093
308 HD12 ILE 54 HD12 ILE 54 3.546 -9.027 1.184
309 HD13 ILE 54 HD13 ILE 54 2.314 -10.158 1.750
310 H SER 55 HN SER 55 3.211 -6.214 -2.781
311 HA SER 55 HA SER 55 4.144 -8.275 -4.582
312 HB2 SER 55 HB2 SER 55 4.055 -6.021 -6.234
313 HB3 SER 55 HB1 SER 55 2.991 -7.425 -6.318
314 HG SER 55 HG SER 55 2.537 -5.120 -4.739
315 H CYS 56 HN CYS 56 6.291 -8.332 -4.302
316 HA CYS 56 HA CYS 56 7.582 -6.031 -3.067
317 HB2 CYS 56 HB2 CYS 56 9.497 -7.687 -2.808
318 HB3 CYS 56 HB1 CYS 56 8.018 -8.051 -1.928
319 HG CYS 56 HG CYS 56 8.707 -10.499 -2.732
320 H ALA 57 HN ALA 57 9.049 -4.757 -4.006
321 HA ALA 57 HA ALA 57 9.732 -5.251 -6.801
322 HB1 ALA 57 HB1 ALA 57 10.563 -2.949 -6.804
323 HB2 ALA 57 HB2 ALA 57 10.238 -2.827 -5.076
324 HB3 ALA 57 HB3 ALA 57 8.904 -3.032 -6.212
325 H THR 58 HN THR 58 11.539 -4.168 -3.896
326 HA THR 58 HA THR 58 13.574 -6.140 -4.529
327 HB THR 58 HB THR 58 14.712 -3.546 -3.705
328 HG1 THR 58 HG1 THR 58 13.444 -4.008 -6.188
329 HG21 THR 58 HG21 THR 58 16.516 -4.261 -5.169
330 HG22 THR 58 HG22 THR 58 15.546 -5.625 -5.721
331 HG23 THR 58 HG23 THR 58 16.085 -5.549 -4.043
332 H THR 59 HN THR 59 12.245 -3.851 -2.321
333 HA THR 59 HA THR 59 12.112 -3.654 -0.087
334 HB THR 59 HB THR 59 12.505 -6.605 0.230
335 HG1 THR 59 HG1 THR 59 10.367 -6.885 -0.561
336 HG21 THR 59 HG21 THR 59 10.534 -4.602 1.362
337 HG22 THR 59 HG22 THR 59 11.956 -5.236 2.193
338 HG23 THR 59 HG23 THR 59 10.620 -6.313 1.787
339 H SER 60 HN SER 60 14.905 -3.823 -1.351
340 HA SER 60 HA SER 60 16.468 -4.683 0.948
341 HB2 SER 60 HB2 SER 60 18.405 -4.131 -0.640
342 HB3 SER 60 HB1 SER 60 17.372 -5.492 -1.077
343 HG SER 60 HG SER 60 17.701 -4.166 -2.874
344 H GLY 61 HN GLY 61 16.877 -1.927 -1.242
345 HA2 GLY 61 HA2 GLY 61 17.298 -0.216 1.130
346 HA3 GLY 61 HA1 GLY 61 17.987 0.089 -0.462
347 H ARG 62 HN ARG 62 16.911 2.274 0.114
348 HA ARG 62 HA ARG 62 14.035 2.264 -0.262
349 HB2 ARG 62 HB2 ARG 62 14.197 4.723 -0.035
350 HB3 ARG 62 HB1 ARG 62 14.897 3.859 1.323
351 HG2 ARG 62 HG2 ARG 62 17.117 4.301 0.541
352 HG3 ARG 62 HG1 ARG 62 16.494 4.999 -0.956
353 HD2 ARG 62 HD2 ARG 62 15.953 6.089 1.800
354 HD3 ARG 62 HD1 ARG 62 17.203 6.694 0.715
355 HE ARG 62 HE ARG 62 15.151 7.016 -0.855
356 HH11 ARG 62 HH11 ARG 62 15.210 7.510 2.607
357 HH12 ARG 62 HH12 ARG 62 14.033 8.783 2.577
358 HH21 ARG 62 HH21 ARG 62 13.604 8.696 -0.907
359 HH22 ARG 62 HH22 ARG 62 13.119 9.458 0.574
360 H ASN 63 HN ASN 63 16.738 2.264 -2.222
361 HA ASN 63 HA ASN 63 15.582 3.790 -4.392
362 HB2 ASN 63 HB2 ASN 63 18.060 3.683 -3.946
363 HB3 ASN 63 HB1 ASN 63 18.020 1.997 -4.450
364 HD21 ASN 63 HD21 ASN 63 17.744 1.498 -6.619
365 HD22 ASN 63 HD22 ASN 63 17.892 2.689 -7.870
366 H GLY 64 HN GLY 64 13.611 2.410 -4.290
367 HA2 GLY 64 HA2 GLY 64 12.382 1.130 -5.845
368 HA3 GLY 64 HA1 GLY 64 13.867 0.333 -6.332
369 H GLY 65 HN GLY 65 14.489 -0.057 -3.368
370 HA2 GLY 65 HA2 GLY 65 13.275 -2.669 -3.233
371 HA3 GLY 65 HA1 GLY 65 14.416 -1.988 -2.078
372 H ALA 66 HN ALA 66 11.143 -1.503 -3.234
373 HA ALA 66 HA ALA 66 10.178 -1.373 -0.465
374 HB1 ALA 66 HB1 ALA 66 9.345 0.431 -2.739
375 HB2 ALA 66 HB2 ALA 66 10.285 0.907 -1.326
376 HB3 ALA 66 HB3 ALA 66 8.609 0.395 -1.138
377 H TRP 67 HN TRP 67 7.653 -1.547 -0.586
378 HA TRP 67 HA TRP 67 7.047 -3.806 -2.336
379 HB2 TRP 67 HB2 TRP 67 5.577 -2.611 0.024
380 HB3 TRP 67 HB1 TRP 67 4.902 -3.883 -0.982
381 HD1 TRP 67 HD1 TRP 67 7.804 -3.301 1.506
382 HE1 TRP 67 HE1 TRP 67 8.432 -5.572 2.546
383 HE3 TRP 67 HE3 TRP 67 4.792 -6.348 -1.296
384 HZ2 TRP 67 HZ2 TRP 67 7.740 -8.281 2.223
385 HZ3 TRP 67 HZ3 TRP 67 4.844 -8.765 -0.867
386 HH2 TRP 67 HH2 TRP 67 6.286 -9.713 0.854
387 H GLU 68 HN GLU 68 5.577 -3.697 -3.908
388 HA GLU 68 HA GLU 68 4.248 -1.121 -4.403
389 HB2 GLU 68 HB2 GLU 68 4.260 -1.644 -6.753
390 HB3 GLU 68 HB1 GLU 68 5.897 -1.852 -6.149
391 HG2 GLU 68 HG2 GLU 68 5.503 -4.281 -6.022
392 HG3 GLU 68 HG1 GLU 68 3.905 -4.027 -6.723
393 H ILE 69 HN ILE 69 2.128 -1.575 -5.737
394 HA ILE 69 HA ILE 69 0.740 -3.707 -4.252
395 HB ILE 69 HB ILE 69 0.046 -1.486 -3.601
396 HG12 ILE 69 HG12 ILE 69 -2.002 -3.008 -5.220
397 HG13 ILE 69 HG11 ILE 69 -1.644 -3.209 -3.510
398 HG21 ILE 69 HG21 ILE 69 -1.123 -0.016 -5.223
399 HG22 ILE 69 HG22 ILE 69 -0.618 -1.114 -6.507
400 HG23 ILE 69 HG23 ILE 69 0.592 -0.241 -5.571
401 HD11 ILE 69 HD11 ILE 69 -2.488 -0.926 -3.115
402 HD12 ILE 69 HD12 ILE 69 -3.702 -2.030 -3.758
403 HD13 ILE 69 HD13 ILE 69 -2.945 -0.840 -4.816
404 H THR 70 HN THR 70 -0.786 -4.959 -5.273
405 HA THR 70 HA THR 70 -0.560 -5.250 -8.130
406 HB THR 70 HB THR 70 -2.198 -7.136 -7.728
407 HG1 THR 70 HG1 THR 70 -2.729 -7.641 -5.628
408 HG21 THR 70 HG21 THR 70 -0.569 -8.585 -6.622
409 HG22 THR 70 HG22 THR 70 0.313 -7.170 -6.046
410 HG23 THR 70 HG23 THR 70 0.230 -7.515 -7.775
411 H ALA 71 HN ALA 71 -2.487 -5.327 -9.503
412 HA ALA 71 HA ALA 71 -3.951 -2.932 -9.314
413 HB1 ALA 71 HB1 ALA 71 -5.133 -3.702 -11.297
414 HB2 ALA 71 HB2 ALA 71 -4.492 -5.327 -11.060
415 HB3 ALA 71 HB3 ALA 71 -3.401 -3.995 -11.442
416 H SER 72 HN SER 72 -4.654 -6.172 -8.270
417 HA SER 72 HA SER 72 -7.466 -5.882 -8.040
418 HB2 SER 72 HB2 SER 72 -7.194 -7.894 -6.490
419 HB3 SER 72 HB1 SER 72 -6.627 -8.098 -8.144
420 HG SER 72 HG SER 72 -4.919 -8.786 -7.049
421 H GLY 73 HN GLY 73 -4.781 -5.039 -5.979
422 HA2 GLY 73 HA2 GLY 73 -6.062 -5.194 -3.488
423 HA3 GLY 73 HA1 GLY 73 -4.647 -4.215 -3.853
424 H THR 74 HN THR 74 -5.872 -2.620 -5.849
425 HA THR 74 HA THR 74 -6.622 -0.472 -4.261
426 HB THR 74 HB THR 74 -7.145 -0.860 -7.210
427 HG1 THR 74 HG1 THR 74 -4.971 0.609 -6.535
428 HG21 THR 74 HG21 THR 74 -8.305 1.096 -6.378
429 HG22 THR 74 HG22 THR 74 -6.885 1.609 -7.297
430 HG23 THR 74 HG23 THR 74 -6.854 1.635 -5.534
431 H ARG 75 HN ARG 75 -8.693 -2.841 -5.928
432 HA ARG 75 HA ARG 75 -10.973 -1.124 -5.712
433 HB2 ARG 75 HB2 ARG 75 -12.260 -3.119 -6.540
434 HB3 ARG 75 HB1 ARG 75 -10.989 -2.527 -7.593
435 HG2 ARG 75 HG2 ARG 75 -9.525 -4.345 -6.774
436 HG3 ARG 75 HG1 ARG 75 -10.889 -4.967 -5.839
437 HD2 ARG 75 HD2 ARG 75 -12.165 -5.342 -7.830
438 HD3 ARG 75 HD1 ARG 75 -10.959 -4.528 -8.816
439 HE ARG 75 HE ARG 75 -10.478 -7.095 -7.441
440 HH11 ARG 75 HH11 ARG 75 -10.041 -4.942 -10.172
441 HH12 ARG 75 HH12 ARG 75 -9.182 -6.112 -11.120
442 HH21 ARG 75 HH21 ARG 75 -9.343 -8.638 -8.688
443 HH22 ARG 75 HH22 ARG 75 -8.785 -8.210 -10.276
444 H PHE 76 HN PHE 76 -10.185 -4.238 -4.076
445 HA PHE 76 HA PHE 76 -12.545 -3.999 -2.482
446 HB2 PHE 76 HB2 PHE 76 -11.473 -5.932 -1.164
447 HB3 PHE 76 HB1 PHE 76 -12.028 -6.207 -2.799
448 HD1 PHE 76 HD1 PHE 76 -8.956 -5.511 -0.817
449 HD2 PHE 76 HD2 PHE 76 -10.634 -7.145 -4.368
450 HE1 PHE 76 HE1 PHE 76 -6.775 -6.495 -1.394
451 HE2 PHE 76 HE2 PHE 76 -8.459 -8.125 -4.950
452 HZ PHE 76 HZ PHE 76 -6.525 -7.803 -3.472
453 H LEU 77 HN LEU 77 -9.130 -3.449 -1.834
454 HA LEU 77 HA LEU 77 -9.505 -3.196 0.958
455 HB2 LEU 77 HB2 LEU 77 -7.325 -3.557 0.875
456 HB3 LEU 77 HB1 LEU 77 -7.314 -3.265 -0.855
457 HG LEU 77 HG LEU 77 -7.366 -0.833 0.784
458 HD11 LEU 77 HD11 LEU 77 -5.937 -2.166 2.202
459 HD12 LEU 77 HD12 LEU 77 -4.960 -0.997 1.315
460 HD13 LEU 77 HD13 LEU 77 -4.989 -2.682 0.810
461 HD21 LEU 77 HD21 LEU 77 -5.626 -0.168 -0.827
462 HD22 LEU 77 HD22 LEU 77 -7.099 -0.733 -1.614
463 HD23 LEU 77 HD23 LEU 77 -5.686 -1.785 -1.528
464 H LYS 78 HN LYS 78 -9.295 -0.759 -1.632
465 HA LYS 78 HA LYS 78 -9.029 1.437 0.152
466 HB2 LYS 78 HB2 LYS 78 -8.315 1.604 -2.170
467 HB3 LYS 78 HB1 LYS 78 -9.975 1.393 -2.712
468 HG2 LYS 78 HG2 LYS 78 -10.601 3.492 -1.628
469 HG3 LYS 78 HG1 LYS 78 -8.938 3.703 -1.077
470 HD2 LYS 78 HD2 LYS 78 -9.322 5.044 -3.049
471 HD3 LYS 78 HD1 LYS 78 -8.191 3.743 -3.421
472 HE2 LYS 78 HE2 LYS 78 -9.777 3.976 -5.228
473 HE3 LYS 78 HE1 LYS 78 -10.056 2.448 -4.398
474 HZ1 LYS 78 HZ1 LYS 78 -11.905 3.461 -3.223
475 HZ2 LYS 78 HZ2 LYS 78 -12.125 3.594 -4.890
476 HZ3 LYS 78 HZ3 LYS 78 -11.626 4.938 -3.996
477 H ARG 79 HN ARG 79 -11.788 -0.192 -1.241
478 HA ARG 79 HA ARG 79 -13.682 1.859 -0.730
479 HB2 ARG 79 HB2 ARG 79 -15.369 0.248 -1.290
480 HB3 ARG 79 HB1 ARG 79 -14.013 0.023 -2.385
481 HG2 ARG 79 HG2 ARG 79 -13.250 -1.871 -1.057
482 HG3 ARG 79 HG1 ARG 79 -14.602 -1.638 0.050
483 HD2 ARG 79 HD2 ARG 79 -14.872 -2.228 -2.897
484 HD3 ARG 79 HD1 ARG 79 -14.980 -3.437 -1.619
485 HE ARG 79 HE ARG 79 -16.819 -1.435 -1.022
486 HH11 ARG 79 HH11 ARG 79 -16.283 -3.798 -3.545
487 HH12 ARG 79 HH12 ARG 79 -17.969 -3.998 -3.898
488 HH21 ARG 79 HH21 ARG 79 -19.042 -1.697 -1.471
489 HH22 ARG 79 HH22 ARG 79 -19.539 -2.803 -2.713
490 H MET 80 HN MET 80 -12.104 -0.335 1.306
491 HA MET 80 HA MET 80 -14.201 -0.700 3.220
492 HB2 MET 80 HB2 MET 80 -11.221 -1.120 3.498
493 HB3 MET 80 HB1 MET 80 -12.436 -1.663 4.646
494 HG2 MET 80 HG2 MET 80 -12.133 -2.583 1.798
495 HG3 MET 80 HG1 MET 80 -11.699 -3.490 3.245
496 HE1 MET 80 HE1 MET 80 -15.197 -4.190 4.856
497 HE2 MET 80 HE2 MET 80 -14.161 -2.804 5.195
498 HE3 MET 80 HE3 MET 80 -13.452 -4.407 4.997
499 H GLY 81 HN GLY 81 -12.806 2.055 2.394
500 HA2 GLY 81 HA2 GLY 81 -13.420 3.995 3.734
501 HA3 GLY 81 HA1 GLY 81 -12.977 3.075 5.161
502 H GLY 82 HN GLY 82 -11.188 3.500 2.121
503 HA2 GLY 82 HA2 GLY 82 -8.692 3.761 3.296
504 HA3 GLY 82 HA1 GLY 82 -9.103 4.350 1.697
505 H CYS 83 HN CYS 83 -8.065 5.163 4.743
506 HA CYS 83 HA CYS 83 -7.653 7.073 5.874
507 HB2 CYS 83 HB2 CYS 83 -7.861 8.245 3.104
508 HB3 CYS 83 HB1 CYS 83 -7.255 9.121 4.506
509 HG CYS 83 HG CYS 83 -5.444 6.575 4.664
510 H VAL 84 HN VAL 84 -10.508 6.276 5.371
511 HA VAL 84 HA VAL 84 -11.883 8.835 5.522
512 HB VAL 84 HB VAL 84 -13.025 6.036 5.662
513 HG11 VAL 84 HG11 VAL 84 -15.177 7.132 5.216
514 HG12 VAL 84 HG12 VAL 84 -14.387 8.706 5.316
515 HG13 VAL 84 HG13 VAL 84 -14.469 7.668 6.740
516 HG21 VAL 84 HG21 VAL 84 -13.743 6.428 3.353
517 HG22 VAL 84 HG22 VAL 84 -11.986 6.474 3.505
518 HG23 VAL 84 HG23 VAL 84 -12.898 7.975 3.356
Start of MODEL 6
1 H1 MET 16 HT1 MET 16 -5.748 -0.399 10.927
2 H2 MET 16 HT2 MET 16 -6.981 0.715 10.624
3 H3 MET 16 HT3 MET 16 -5.374 1.132 10.319
4 HA MET 16 HA MET 16 -5.240 -0.581 8.610
5 HB2 MET 16 HB2 MET 16 -8.160 -0.894 9.306
6 HB3 MET 16 HB1 MET 16 -7.474 -1.459 7.791
7 HG2 MET 16 HG2 MET 16 -5.994 -2.957 8.989
8 HG3 MET 16 HG1 MET 16 -6.605 -2.354 10.528
9 HE1 MET 16 HE1 MET 16 -7.609 -4.157 7.177
10 HE2 MET 16 HE2 MET 16 -8.861 -2.927 7.357
11 HE3 MET 16 HE3 MET 16 -9.270 -4.634 7.525
12 H SER 17 HN SER 17 -7.533 1.978 9.331
13 HA SER 17 HA SER 17 -8.459 2.543 6.780
14 HB2 SER 17 HB2 SER 17 -7.994 4.439 9.089
15 HB3 SER 17 HB1 SER 17 -8.973 4.798 7.666
16 HG SER 17 HG SER 17 -10.512 3.960 8.844
17 H ASP 18 HN ASP 18 -5.652 4.010 8.438
18 HA ASP 18 HA ASP 18 -4.895 5.671 6.287
19 HB2 ASP 18 HB2 ASP 18 -3.245 4.507 8.539
20 HB3 ASP 18 HB1 ASP 18 -2.641 5.698 7.397
21 H TYR 19 HN TYR 19 -3.843 2.460 7.277
22 HA TYR 19 HA TYR 19 -1.863 1.970 5.415
23 HB2 TYR 19 HB2 TYR 19 -1.852 0.175 6.788
24 HB3 TYR 19 HB1 TYR 19 -3.545 0.387 7.202
25 HD1 TYR 19 HD1 TYR 19 -5.059 -1.265 6.553
26 HD2 TYR 19 HD2 TYR 19 -1.415 -0.835 4.394
27 HE1 TYR 19 HE1 TYR 19 -5.579 -3.282 5.275
28 HE2 TYR 19 HE2 TYR 19 -1.940 -2.856 3.106
29 HH TYR 19 HH TYR 19 -4.943 -4.658 3.686
30 H LEU 20 HN LEU 20 -5.365 1.625 5.048
31 HA LEU 20 HA LEU 20 -5.489 0.029 2.817
32 HB2 LEU 20 HB2 LEU 20 -7.285 2.342 3.522
33 HB3 LEU 20 HB1 LEU 20 -7.664 1.117 2.327
34 HG LEU 20 HG LEU 20 -7.285 0.628 5.285
35 HD11 LEU 20 HD11 LEU 20 -9.678 0.116 5.262
36 HD12 LEU 20 HD12 LEU 20 -9.760 0.606 3.571
37 HD13 LEU 20 HD13 LEU 20 -9.355 1.790 4.815
38 HD21 LEU 20 HD21 LEU 20 -6.554 -1.293 4.015
39 HD22 LEU 20 HD22 LEU 20 -8.033 -1.257 3.057
40 HD23 LEU 20 HD23 LEU 20 -8.107 -1.638 4.777
41 H LYS 21 HN LYS 21 -5.116 3.558 2.889
42 HA LYS 21 HA LYS 21 -5.145 3.641 0.009
43 HB2 LYS 21 HB2 LYS 21 -4.727 5.822 2.041
44 HB3 LYS 21 HB1 LYS 21 -4.797 6.076 0.300
45 HG2 LYS 21 HG2 LYS 21 -7.083 5.090 0.305
46 HG3 LYS 21 HG1 LYS 21 -6.997 5.018 2.068
47 HD2 LYS 21 HD2 LYS 21 -8.197 7.004 1.405
48 HD3 LYS 21 HD1 LYS 21 -6.650 7.469 2.111
49 HE2 LYS 21 HE2 LYS 21 -5.719 7.716 -0.160
50 HE3 LYS 21 HE1 LYS 21 -7.296 7.311 -0.830
51 HZ1 LYS 21 HZ1 LYS 21 -8.220 9.270 0.212
52 HZ2 LYS 21 HZ2 LYS 21 -6.908 9.701 -0.767
53 HZ3 LYS 21 HZ3 LYS 21 -6.726 9.642 0.913
54 H VAL 22 HN VAL 22 -2.765 3.204 2.396
55 HA VAL 22 HA VAL 22 -0.547 4.569 1.464
56 HB VAL 22 HB VAL 22 -0.803 1.899 2.842
57 HG11 VAL 22 HG11 VAL 22 1.798 3.297 2.220
58 HG12 VAL 22 HG12 VAL 22 1.237 1.801 1.473
59 HG13 VAL 22 HG13 VAL 22 1.592 1.842 3.200
60 HG21 VAL 22 HG21 VAL 22 0.214 3.159 4.715
61 HG22 VAL 22 HG22 VAL 22 -1.329 3.831 4.182
62 HG23 VAL 22 HG23 VAL 22 0.182 4.611 3.715
63 H LEU 23 HN LEU 23 -1.289 1.155 0.643
64 HA LEU 23 HA LEU 23 0.743 1.119 -1.341
65 HB2 LEU 23 HB2 LEU 23 -0.856 -1.046 -1.927
66 HB3 LEU 23 HB1 LEU 23 0.580 -1.037 -0.931
67 HG LEU 23 HG LEU 23 -0.886 -0.670 1.062
68 HD11 LEU 23 HD11 LEU 23 -2.840 0.276 0.038
69 HD12 LEU 23 HD12 LEU 23 -3.275 -1.256 0.792
70 HD13 LEU 23 HD13 LEU 23 -3.067 -1.163 -0.955
71 HD21 LEU 23 HD21 LEU 23 -0.047 -2.856 0.580
72 HD22 LEU 23 HD22 LEU 23 -1.296 -3.119 -0.636
73 HD23 LEU 23 HD23 LEU 23 -1.736 -3.007 1.066
74 H GLN 24 HN GLN 24 -2.772 1.482 -1.535
75 HA GLN 24 HA GLN 24 -2.793 0.999 -4.344
76 HB2 GLN 24 HB2 GLN 24 -5.155 1.515 -4.260
77 HB3 GLN 24 HB1 GLN 24 -4.708 0.407 -2.979
78 HG2 GLN 24 HG2 GLN 24 -6.082 1.831 -1.840
79 HG3 GLN 24 HG1 GLN 24 -4.531 2.631 -1.581
80 HE21 GLN 24 HE21 GLN 24 -5.496 4.655 -1.308
81 HE22 GLN 24 HE22 GLN 24 -6.188 5.535 -2.623
82 H ALA 25 HN ALA 25 -2.662 3.903 -2.385
83 HA ALA 25 HA ALA 25 -3.707 5.685 -4.267
84 HB1 ALA 25 HB1 ALA 25 -1.652 6.293 -2.158
85 HB2 ALA 25 HB2 ALA 25 -3.399 6.242 -1.904
86 HB3 ALA 25 HB3 ALA 25 -2.697 7.454 -2.978
87 H ILE 26 HN ILE 26 -0.336 4.672 -3.737
88 HA ILE 26 HA ILE 26 0.943 6.451 -5.368
89 HB ILE 26 HB ILE 26 2.173 4.814 -4.047
90 HG12 ILE 26 HG12 ILE 26 2.805 4.652 -6.999
91 HG13 ILE 26 HG11 ILE 26 3.319 5.929 -5.903
92 HG21 ILE 26 HG21 ILE 26 2.470 2.506 -4.843
93 HG22 ILE 26 HG22 ILE 26 1.246 2.796 -6.081
94 HG23 ILE 26 HG23 ILE 26 0.806 2.854 -4.373
95 HD11 ILE 26 HD11 ILE 26 4.136 3.039 -5.753
96 HD12 ILE 26 HD12 ILE 26 4.649 4.315 -4.651
97 HD13 ILE 26 HD13 ILE 26 5.121 4.375 -6.348
98 H LYS 27 HN LYS 27 -0.805 3.515 -6.426
99 HA LYS 27 HA LYS 27 -0.045 3.950 -9.156
100 HB2 LYS 27 HB2 LYS 27 -1.043 1.950 -9.643
101 HB3 LYS 27 HB1 LYS 27 -0.666 1.710 -7.952
102 HG2 LYS 27 HG2 LYS 27 -2.913 2.028 -7.304
103 HG3 LYS 27 HG1 LYS 27 -3.356 2.660 -8.891
104 HD2 LYS 27 HD2 LYS 27 -2.601 0.344 -9.765
105 HD3 LYS 27 HD1 LYS 27 -2.750 -0.163 -8.082
106 HE2 LYS 27 HE2 LYS 27 -4.785 -0.617 -9.384
107 HE3 LYS 27 HE1 LYS 27 -5.071 0.494 -8.046
108 HZ1 LYS 27 HZ1 LYS 27 -6.157 1.171 -10.130
109 HZ2 LYS 27 HZ2 LYS 27 -4.643 1.334 -10.860
110 HZ3 LYS 27 HZ3 LYS 27 -5.067 2.331 -9.561
111 H SER 28 HN SER 28 -2.890 4.685 -7.180
112 HA SER 28 HA SER 28 -4.387 5.386 -9.586
113 HB2 SER 28 HB2 SER 28 -5.243 4.941 -6.733
114 HB3 SER 28 HB1 SER 28 -6.338 5.515 -7.990
115 HG SER 28 HG SER 28 -6.551 3.527 -8.573
116 H CYS 29 HN CYS 29 -3.488 6.951 -6.486
117 HA CYS 29 HA CYS 29 -4.259 9.523 -7.639
118 HB2 CYS 29 HB2 CYS 29 -6.315 8.649 -6.635
119 HB3 CYS 29 HB1 CYS 29 -5.478 8.402 -5.108
120 HG CYS 29 HG CYS 29 -6.318 10.633 -4.182
121 HA PRO 30 HA PRO 30 -0.653 10.855 -5.354
122 HB2 PRO 30 HB2 PRO 30 -1.959 13.507 -5.516
123 HB3 PRO 30 HB1 PRO 30 -0.354 13.008 -6.059
124 HG2 PRO 30 HG2 PRO 30 -2.314 13.477 -7.807
125 HG3 PRO 30 HG1 PRO 30 -1.148 12.164 -8.062
126 HD2 PRO 30 HD2 PRO 30 -3.975 12.032 -7.088
127 HD3 PRO 30 HD1 PRO 30 -3.105 10.943 -8.190
128 H LYS 31 HN LYS 31 -0.417 12.780 -3.589
129 HA LYS 31 HA LYS 31 -0.783 13.510 -1.472
130 HB2 LYS 31 HB2 LYS 31 -3.540 12.318 -1.796
131 HB3 LYS 31 HB1 LYS 31 -3.012 13.241 -0.399
132 HG2 LYS 31 HG2 LYS 31 -2.675 15.199 -1.801
133 HG3 LYS 31 HG1 LYS 31 -3.157 14.272 -3.224
134 HD2 LYS 31 HD2 LYS 31 -5.371 13.936 -2.280
135 HD3 LYS 31 HD1 LYS 31 -4.893 14.789 -0.812
136 HE2 LYS 31 HE2 LYS 31 -4.514 16.821 -2.131
137 HE3 LYS 31 HE1 LYS 31 -5.025 15.964 -3.585
138 HZ1 LYS 31 HZ1 LYS 31 -6.799 17.314 -2.611
139 HZ2 LYS 31 HZ2 LYS 31 -6.720 16.406 -1.191
140 HZ3 LYS 31 HZ3 LYS 31 -7.202 15.674 -2.636
141 H THR 32 HN THR 32 -0.944 10.306 -2.450
142 HA THR 32 HA THR 32 0.263 9.440 0.022
143 HB THR 32 HB THR 32 -2.156 7.926 -0.977
144 HG1 THR 32 HG1 THR 32 -1.970 10.105 0.730
145 HG21 THR 32 HG21 THR 32 -2.003 6.770 1.171
146 HG22 THR 32 HG22 THR 32 -0.602 7.748 1.608
147 HG23 THR 32 HG23 THR 32 -0.497 6.608 0.268
148 H PHE 33 HN PHE 33 1.481 7.516 -0.258
149 HA PHE 33 HA PHE 33 1.540 6.183 -2.795
150 HB2 PHE 33 HB2 PHE 33 3.774 6.849 -3.453
151 HB3 PHE 33 HB1 PHE 33 2.774 8.287 -3.296
152 HD1 PHE 33 HD1 PHE 33 5.889 6.926 -2.568
153 HD2 PHE 33 HD2 PHE 33 2.857 9.378 -0.867
154 HE1 PHE 33 HE1 PHE 33 7.543 7.894 -1.025
155 HE2 PHE 33 HE2 PHE 33 4.504 10.355 0.675
156 HZ PHE 33 HZ PHE 33 6.868 9.646 0.560
157 H GLN 34 HN GLN 34 3.442 4.599 -2.816
158 HA GLN 34 HA GLN 34 3.840 3.621 -0.070
159 HB2 GLN 34 HB2 GLN 34 2.195 2.332 -1.399
160 HB3 GLN 34 HB1 GLN 34 3.456 1.975 -2.569
161 HG2 GLN 34 HG2 GLN 34 4.724 0.808 -0.823
162 HG3 GLN 34 HG1 GLN 34 3.422 1.135 0.320
163 HE21 GLN 34 HE21 GLN 34 2.830 0.379 -3.026
164 HE22 GLN 34 HE22 GLN 34 2.151 -1.185 -2.755
165 H SER 35 HN SER 35 5.375 4.577 -2.941
166 HA SER 35 HA SER 35 7.296 2.718 -3.472
167 HB2 SER 35 HB2 SER 35 6.849 4.703 -4.858
168 HB3 SER 35 HB1 SER 35 7.651 5.711 -3.655
169 HG SER 35 HG SER 35 8.935 3.524 -4.918
170 H ASN 36 HN ASN 36 8.473 5.710 -1.954
171 HA ASN 36 HA ASN 36 10.419 4.100 -0.485
172 HB2 ASN 36 HB2 ASN 36 10.865 6.340 -1.807
173 HB3 ASN 36 HB1 ASN 36 10.293 7.094 -0.323
174 HD21 ASN 36 HD21 ASN 36 12.920 7.160 -1.568
175 HD22 ASN 36 HD22 ASN 36 14.031 6.558 -0.390
176 H TYR 37 HN TYR 37 7.391 5.164 -0.110
177 HA TYR 37 HA TYR 37 7.364 6.147 2.556
178 HB2 TYR 37 HB2 TYR 37 5.588 6.624 0.902
179 HB3 TYR 37 HB1 TYR 37 5.145 4.923 0.904
180 HD1 TYR 37 HD1 TYR 37 3.917 3.954 2.748
181 HD2 TYR 37 HD2 TYR 37 5.031 8.059 2.792
182 HE1 TYR 37 HE1 TYR 37 2.354 4.351 4.600
183 HE2 TYR 37 HE2 TYR 37 3.466 8.467 4.643
184 HH TYR 37 HH TYR 37 1.496 7.493 5.649
185 H VAL 38 HN VAL 38 7.034 2.981 1.061
186 HA VAL 38 HA VAL 38 6.133 1.582 3.322
187 HB VAL 38 HB VAL 38 6.033 0.656 1.041
188 HG11 VAL 38 HG11 VAL 38 8.026 -0.312 0.054
189 HG12 VAL 38 HG12 VAL 38 8.987 0.275 1.408
190 HG13 VAL 38 HG13 VAL 38 8.224 1.420 0.307
191 HG21 VAL 38 HG21 VAL 38 6.557 -1.630 1.631
192 HG22 VAL 38 HG22 VAL 38 5.866 -0.808 3.028
193 HG23 VAL 38 HG23 VAL 38 7.604 -1.084 2.940
194 H ARG 39 HN ARG 39 9.351 2.513 2.279
195 HA ARG 39 HA ARG 39 10.833 0.945 4.060
196 HB2 ARG 39 HB2 ARG 39 11.802 2.323 2.215
197 HB3 ARG 39 HB1 ARG 39 11.504 3.757 3.191
198 HG2 ARG 39 HG2 ARG 39 13.792 3.141 3.456
199 HG3 ARG 39 HG1 ARG 39 12.944 2.775 4.960
200 HD2 ARG 39 HD2 ARG 39 12.718 0.416 4.151
201 HD3 ARG 39 HD1 ARG 39 13.781 0.839 2.812
202 HE ARG 39 HE ARG 39 15.050 1.566 5.192
203 HH11 ARG 39 HH11 ARG 39 14.057 -1.309 3.473
204 HH12 ARG 39 HH12 ARG 39 15.259 -2.321 4.209
205 HH21 ARG 39 HH21 ARG 39 16.626 0.232 6.174
206 HH22 ARG 39 HH22 ARG 39 16.705 -1.451 5.756
207 H ASN 40 HN ASN 40 8.953 3.821 4.532
208 HA ASN 40 HA ASN 40 9.902 4.224 7.242
209 HB2 ASN 40 HB2 ASN 40 7.642 5.569 5.745
210 HB3 ASN 40 HB1 ASN 40 8.266 6.060 7.315
211 HD21 ASN 40 HD21 ASN 40 8.103 7.561 4.848
212 HD22 ASN 40 HD22 ASN 40 9.719 8.045 4.461
213 H ASN 41 HN ASN 41 6.805 3.399 5.679
214 HA ASN 41 HA ASN 41 5.898 2.357 8.276
215 HB2 ASN 41 HB2 ASN 41 4.356 3.726 6.081
216 HB3 ASN 41 HB1 ASN 41 3.554 2.731 7.294
217 HD21 ASN 41 HD21 ASN 41 3.302 5.598 6.844
218 HD22 ASN 41 HD22 ASN 41 3.778 6.358 8.322
219 H ALA 42 HN ALA 42 7.349 0.582 6.973
220 HA ALA 42 HA ALA 42 6.039 -1.081 5.129
221 HB1 ALA 42 HB1 ALA 42 8.082 -1.871 7.204
222 HB2 ALA 42 HB2 ALA 42 8.440 -1.226 5.603
223 HB3 ALA 42 HB3 ALA 42 7.644 -2.791 5.765
224 H SER 43 HN SER 43 5.784 -0.775 8.584
225 HA SER 43 HA SER 43 4.530 -3.208 9.191
226 HB2 SER 43 HB2 SER 43 3.696 -1.963 11.218
227 HB3 SER 43 HB1 SER 43 5.439 -1.867 10.965
228 HG SER 43 HG SER 43 5.275 0.213 10.694
229 H LEU 44 HN LEU 44 3.236 -0.097 8.120
230 HA LEU 44 HA LEU 44 0.502 -0.773 8.362
231 HB2 LEU 44 HB2 LEU 44 1.859 1.159 6.480
232 HB3 LEU 44 HB1 LEU 44 0.125 1.041 6.697
233 HG LEU 44 HG LEU 44 2.144 1.930 8.756
234 HD11 LEU 44 HD11 LEU 44 1.626 3.598 7.057
235 HD12 LEU 44 HD12 LEU 44 0.949 4.053 8.619
236 HD13 LEU 44 HD13 LEU 44 -0.098 3.389 7.366
237 HD21 LEU 44 HD21 LEU 44 0.202 2.349 10.203
238 HD22 LEU 44 HD22 LEU 44 0.408 0.635 9.848
239 HD23 LEU 44 HD23 LEU 44 -0.837 1.565 9.014
240 H VAL 45 HN VAL 45 2.785 -0.973 5.668
241 HA VAL 45 HA VAL 45 1.015 -2.028 3.770
242 HB VAL 45 HB VAL 45 4.009 -2.447 3.969
243 HG11 VAL 45 HG11 VAL 45 2.153 -2.760 1.613
244 HG12 VAL 45 HG12 VAL 45 2.964 -4.068 2.476
245 HG13 VAL 45 HG13 VAL 45 3.911 -2.889 1.570
246 HG21 VAL 45 HG21 VAL 45 4.076 -0.590 2.312
247 HG22 VAL 45 HG22 VAL 45 3.509 -0.107 3.910
248 HG23 VAL 45 HG23 VAL 45 2.353 -0.336 2.595
249 H ALA 46 HN ALA 46 2.821 -3.537 6.357
250 HA ALA 46 HA ALA 46 2.695 -6.208 5.511
251 HB1 ALA 46 HB1 ALA 46 4.159 -5.427 7.312
252 HB2 ALA 46 HB2 ALA 46 3.172 -6.798 7.818
253 HB3 ALA 46 HB3 ALA 46 2.751 -5.166 8.339
254 H GLU 47 HN GLU 47 0.276 -4.179 6.968
255 HA GLU 47 HA GLU 47 -1.514 -6.114 7.928
256 HB2 GLU 47 HB2 GLU 47 -2.050 -3.408 6.695
257 HB3 GLU 47 HB1 GLU 47 -3.260 -4.371 7.523
258 HG2 GLU 47 HG2 GLU 47 -0.719 -3.383 8.798
259 HG3 GLU 47 HG1 GLU 47 -2.272 -2.556 8.897
260 H ALA 48 HN ALA 48 -0.764 -5.035 4.741
261 HA ALA 48 HA ALA 48 -3.053 -5.719 3.316
262 HB1 ALA 48 HB1 ALA 48 -1.123 -4.365 2.510
263 HB2 ALA 48 HB2 ALA 48 -1.722 -5.565 1.361
264 HB3 ALA 48 HB3 ALA 48 -0.245 -5.878 2.276
265 H ALA 49 HN ALA 49 -0.555 -7.784 4.562
266 HA ALA 49 HA ALA 49 -0.859 -9.962 2.839
267 HB1 ALA 49 HB1 ALA 49 0.073 -11.317 4.651
268 HB2 ALA 49 HB2 ALA 49 -0.195 -9.989 5.782
269 HB3 ALA 49 HB3 ALA 49 0.956 -9.803 4.460
270 H SER 50 HN SER 50 -2.789 -8.855 5.541
271 HA SER 50 HA SER 50 -4.412 -11.206 5.686
272 HB2 SER 50 HB2 SER 50 -4.092 -9.606 7.587
273 HB3 SER 50 HB1 SER 50 -5.068 -8.434 6.705
274 HG SER 50 HG SER 50 -6.249 -10.896 6.905
275 H ARG 51 HN ARG 51 -4.599 -8.119 3.964
276 HA ARG 51 HA ARG 51 -7.232 -8.499 2.966
277 HB2 ARG 51 HB2 ARG 51 -4.951 -6.705 2.334
278 HB3 ARG 51 HB1 ARG 51 -6.148 -6.933 1.073
279 HG2 ARG 51 HG2 ARG 51 -6.665 -4.958 2.341
280 HG3 ARG 51 HG1 ARG 51 -7.900 -6.181 2.632
281 HD2 ARG 51 HD2 ARG 51 -5.573 -5.961 4.488
282 HD3 ARG 51 HD1 ARG 51 -6.893 -4.799 4.614
283 HE ARG 51 HE ARG 51 -8.095 -7.278 4.598
284 HH11 ARG 51 HH11 ARG 51 -5.666 -5.697 6.551
285 HH12 ARG 51 HH12 ARG 51 -6.151 -6.471 8.024
286 HH21 ARG 51 HH21 ARG 51 -8.751 -8.297 6.536
287 HH22 ARG 51 HH22 ARG 51 -7.904 -7.963 8.013
288 H GLY 52 HN GLY 52 -4.028 -9.461 1.874
289 HA2 GLY 52 HA2 GLY 52 -3.873 -11.670 0.918
290 HA3 GLY 52 HA1 GLY 52 -5.405 -11.380 0.116
291 H HIS 53 HN HIS 53 -3.493 -8.609 -0.176
292 HA HIS 53 HA HIS 53 -2.164 -9.623 -2.568
293 HB2 HIS 53 HB2 HIS 53 -4.377 -7.647 -2.569
294 HB3 HIS 53 HB1 HIS 53 -3.040 -7.382 -3.685
295 HD1 HIS 53 HD1 HIS 53 -6.093 -9.371 -3.230
296 HD2 HIS 53 HD2 HIS 53 -2.651 -9.567 -5.550
297 HE1 HIS 53 HE1 HIS 53 -6.621 -10.981 -5.081
298 HE2 HIS 53 HE2 HIS 53 -4.461 -11.228 -6.353
299 H ILE 54 HN ILE 54 -0.216 -8.950 -2.749
300 HA ILE 54 HA ILE 54 0.622 -6.257 -2.387
301 HB ILE 54 HB ILE 54 2.583 -7.291 -0.821
302 HG12 ILE 54 HG12 ILE 54 0.003 -8.498 0.203
303 HG13 ILE 54 HG11 ILE 54 1.374 -9.396 -0.440
304 HG21 ILE 54 HG21 ILE 54 0.085 -5.886 0.085
305 HG22 ILE 54 HG22 ILE 54 1.565 -5.141 -0.521
306 HG23 ILE 54 HG23 ILE 54 1.579 -6.008 1.015
307 HD11 ILE 54 HD11 ILE 54 1.353 -9.475 1.973
308 HD12 ILE 54 HD12 ILE 54 1.354 -7.714 2.054
309 HD13 ILE 54 HD13 ILE 54 2.756 -8.566 1.408
310 H SER 55 HN SER 55 3.043 -6.097 -2.828
311 HA SER 55 HA SER 55 4.155 -8.414 -4.174
312 HB2 SER 55 HB2 SER 55 2.848 -7.176 -5.910
313 HB3 SER 55 HB1 SER 55 3.869 -5.771 -5.615
314 HG SER 55 HG SER 55 4.445 -8.158 -6.919
315 H CYS 56 HN CYS 56 6.161 -8.608 -3.427
316 HA CYS 56 HA CYS 56 7.518 -6.225 -2.401
317 HB2 CYS 56 HB2 CYS 56 9.043 -7.960 -1.332
318 HB3 CYS 56 HB1 CYS 56 7.385 -7.914 -0.746
319 HG CYS 56 HG CYS 56 8.876 -10.276 -2.692
320 H ALA 57 HN ALA 57 9.099 -5.326 -3.519
321 HA ALA 57 HA ALA 57 10.194 -6.665 -5.832
322 HB1 ALA 57 HB1 ALA 57 11.362 -4.561 -6.243
323 HB2 ALA 57 HB2 ALA 57 10.824 -3.952 -4.678
324 HB3 ALA 57 HB3 ALA 57 9.645 -4.293 -5.945
325 H THR 58 HN THR 58 11.524 -5.355 -2.777
326 HA THR 58 HA THR 58 13.256 -7.640 -2.636
327 HB THR 58 HB THR 58 14.692 -5.017 -2.399
328 HG1 THR 58 HG1 THR 58 13.859 -6.271 -4.691
329 HG21 THR 58 HG21 THR 58 16.659 -6.424 -2.754
330 HG22 THR 58 HG22 THR 58 15.621 -7.841 -2.900
331 HG23 THR 58 HG23 THR 58 15.719 -6.975 -1.367
332 H THR 59 HN THR 59 12.155 -4.658 -1.242
333 HA THR 59 HA THR 59 11.579 -4.031 0.849
334 HB THR 59 HB THR 59 12.055 -6.864 1.769
335 HG1 THR 59 HG1 THR 59 10.333 -7.423 0.672
336 HG21 THR 59 HG21 THR 59 10.299 -6.323 3.395
337 HG22 THR 59 HG22 THR 59 10.176 -4.694 2.728
338 HG23 THR 59 HG23 THR 59 11.657 -5.207 3.540
339 H SER 60 HN SER 60 14.562 -5.732 0.380
340 HA SER 60 HA SER 60 15.757 -5.373 2.870
341 HB2 SER 60 HB2 SER 60 17.168 -5.469 0.205
342 HB3 SER 60 HB1 SER 60 17.828 -5.927 1.776
343 HG SER 60 HG SER 60 17.161 -7.767 0.639
344 H GLY 61 HN GLY 61 15.961 -3.309 -0.028
345 HA2 GLY 61 HA2 GLY 61 17.409 -1.331 1.579
346 HA3 GLY 61 HA1 GLY 61 17.321 -1.359 -0.174
347 H ARG 62 HN ARG 62 16.755 0.838 -0.139
348 HA ARG 62 HA ARG 62 13.980 1.370 0.705
349 HB2 ARG 62 HB2 ARG 62 14.653 3.747 0.874
350 HB3 ARG 62 HB1 ARG 62 15.574 2.717 1.964
351 HG2 ARG 62 HG2 ARG 62 17.421 2.702 0.326
352 HG3 ARG 62 HG1 ARG 62 16.503 3.824 -0.676
353 HD2 ARG 62 HD2 ARG 62 17.410 4.338 2.152
354 HD3 ARG 62 HD1 ARG 62 18.195 4.957 0.702
355 HE ARG 62 HE ARG 62 15.606 5.795 1.785
356 HH11 ARG 62 HH11 ARG 62 18.101 6.136 -0.640
357 HH12 ARG 62 HH12 ARG 62 17.614 7.735 -1.101
358 HH21 ARG 62 HH21 ARG 62 14.958 7.911 1.186
359 HH22 ARG 62 HH22 ARG 62 15.831 8.753 -0.056
360 H ASN 63 HN ASN 63 15.965 0.859 -1.890
361 HA ASN 63 HA ASN 63 14.515 2.698 -3.658
362 HB2 ASN 63 HB2 ASN 63 17.125 1.218 -3.984
363 HB3 ASN 63 HB1 ASN 63 16.354 2.117 -5.292
364 HD21 ASN 63 HD21 ASN 63 18.925 2.556 -4.031
365 HD22 ASN 63 HD22 ASN 63 18.889 4.162 -3.395
366 H GLY 64 HN GLY 64 16.102 -0.346 -4.480
367 HA2 GLY 64 HA2 GLY 64 13.827 -1.219 -6.000
368 HA3 GLY 64 HA1 GLY 64 15.310 -2.124 -5.724
369 H GLY 65 HN GLY 65 14.936 -1.591 -2.765
370 HA2 GLY 65 HA2 GLY 65 13.298 -3.957 -2.319
371 HA3 GLY 65 HA1 GLY 65 14.316 -3.153 -1.129
372 H ALA 66 HN ALA 66 11.397 -2.602 -3.065
373 HA ALA 66 HA ALA 66 10.127 -1.506 -0.646
374 HB1 ALA 66 HB1 ALA 66 9.820 -0.458 -3.460
375 HB2 ALA 66 HB2 ALA 66 10.695 0.336 -2.151
376 HB3 ALA 66 HB3 ALA 66 8.948 0.124 -2.041
377 H TRP 67 HN TRP 67 7.719 -1.608 -0.779
378 HA TRP 67 HA TRP 67 6.840 -3.977 -2.258
379 HB2 TRP 67 HB2 TRP 67 5.589 -2.437 0.022
380 HB3 TRP 67 HB1 TRP 67 4.752 -3.715 -0.846
381 HD1 TRP 67 HD1 TRP 67 7.813 -3.218 1.458
382 HE1 TRP 67 HE1 TRP 67 8.267 -5.442 2.667
383 HE3 TRP 67 HE3 TRP 67 4.376 -6.166 -0.930
384 HZ2 TRP 67 HZ2 TRP 67 7.303 -8.090 2.621
385 HZ3 TRP 67 HZ3 TRP 67 4.211 -8.532 -0.282
386 HH2 TRP 67 HH2 TRP 67 5.641 -9.472 1.451
387 H GLU 68 HN GLU 68 5.315 -3.862 -3.822
388 HA GLU 68 HA GLU 68 4.059 -1.243 -4.299
389 HB2 GLU 68 HB2 GLU 68 4.129 -1.575 -6.653
390 HB3 GLU 68 HB1 GLU 68 5.747 -1.925 -6.065
391 HG2 GLU 68 HG2 GLU 68 5.354 -4.292 -6.253
392 HG3 GLU 68 HG1 GLU 68 3.667 -4.009 -6.682
393 H ILE 69 HN ILE 69 1.921 -1.481 -5.435
394 HA ILE 69 HA ILE 69 0.506 -3.693 -4.143
395 HB ILE 69 HB ILE 69 -0.248 -1.340 -3.727
396 HG12 ILE 69 HG12 ILE 69 -2.223 -3.191 -5.085
397 HG13 ILE 69 HG11 ILE 69 -1.756 -3.241 -3.390
398 HG21 ILE 69 HG21 ILE 69 -1.079 -1.462 -6.624
399 HG22 ILE 69 HG22 ILE 69 0.170 -0.421 -5.940
400 HG23 ILE 69 HG23 ILE 69 -1.517 -0.190 -5.482
401 HD11 ILE 69 HD11 ILE 69 -2.745 -1.013 -3.083
402 HD12 ILE 69 HD12 ILE 69 -3.915 -2.213 -3.626
403 HD13 ILE 69 HD13 ILE 69 -3.266 -1.035 -4.766
404 H THR 70 HN THR 70 -0.989 -4.974 -5.295
405 HA THR 70 HA THR 70 -0.453 -5.229 -8.124
406 HB THR 70 HB THR 70 -2.025 -7.154 -7.997
407 HG1 THR 70 HG1 THR 70 -3.408 -6.953 -6.388
408 HG21 THR 70 HG21 THR 70 -0.610 -8.585 -6.586
409 HG22 THR 70 HG22 THR 70 0.134 -7.150 -5.879
410 HG23 THR 70 HG23 THR 70 0.362 -7.510 -7.591
411 H ALA 71 HN ALA 71 -2.287 -5.236 -9.694
412 HA ALA 71 HA ALA 71 -3.596 -2.780 -9.618
413 HB1 ALA 71 HB1 ALA 71 -4.382 -5.191 -11.248
414 HB2 ALA 71 HB2 ALA 71 -3.122 -4.035 -11.678
415 HB3 ALA 71 HB3 ALA 71 -4.804 -3.513 -11.586
416 H SER 72 HN SER 72 -4.712 -5.951 -8.663
417 HA SER 72 HA SER 72 -7.459 -5.341 -8.453
418 HB2 SER 72 HB2 SER 72 -7.449 -7.488 -7.049
419 HB3 SER 72 HB1 SER 72 -6.876 -7.615 -8.711
420 HG SER 72 HG SER 72 -4.980 -8.160 -7.996
421 H GLY 73 HN GLY 73 -4.798 -4.744 -6.296
422 HA2 GLY 73 HA2 GLY 73 -6.070 -5.169 -3.825
423 HA3 GLY 73 HA1 GLY 73 -4.657 -4.160 -4.087
424 H THR 74 HN THR 74 -5.799 -2.310 -5.841
425 HA THR 74 HA THR 74 -6.650 -0.394 -4.022
426 HB THR 74 HB THR 74 -6.888 -0.456 -7.035
427 HG1 THR 74 HG1 THR 74 -5.028 1.197 -5.981
428 HG21 THR 74 HG21 THR 74 -7.044 1.988 -6.915
429 HG22 THR 74 HG22 THR 74 -7.087 1.903 -5.154
430 HG23 THR 74 HG23 THR 74 -8.411 1.226 -6.103
431 H ARG 75 HN ARG 75 -8.585 -2.666 -5.895
432 HA ARG 75 HA ARG 75 -10.928 -1.016 -5.858
433 HB2 ARG 75 HB2 ARG 75 -10.716 -3.969 -6.442
434 HB3 ARG 75 HB1 ARG 75 -12.076 -2.927 -6.831
435 HG2 ARG 75 HG2 ARG 75 -10.582 -1.627 -8.328
436 HG3 ARG 75 HG1 ARG 75 -9.312 -2.811 -8.010
437 HD2 ARG 75 HD2 ARG 75 -10.853 -4.585 -8.846
438 HD3 ARG 75 HD1 ARG 75 -11.989 -3.317 -9.296
439 HE ARG 75 HE ARG 75 -9.277 -3.260 -10.401
440 HH11 ARG 75 HH11 ARG 75 -12.719 -3.633 -10.890
441 HH12 ARG 75 HH12 ARG 75 -12.609 -3.570 -12.618
442 HH21 ARG 75 HH21 ARG 75 -9.122 -3.218 -12.676
443 HH22 ARG 75 HH22 ARG 75 -10.563 -3.331 -13.636
444 H PHE 76 HN PHE 76 -10.185 -4.122 -4.227
445 HA PHE 76 HA PHE 76 -12.571 -3.921 -2.660
446 HB2 PHE 76 HB2 PHE 76 -11.471 -5.928 -1.416
447 HB3 PHE 76 HB1 PHE 76 -12.107 -6.118 -3.035
448 HD1 PHE 76 HD1 PHE 76 -8.947 -5.554 -1.168
449 HD2 PHE 76 HD2 PHE 76 -10.797 -6.960 -4.730
450 HE1 PHE 76 HE1 PHE 76 -6.798 -6.495 -1.910
451 HE2 PHE 76 HE2 PHE 76 -8.654 -7.897 -5.481
452 HZ PHE 76 HZ PHE 76 -6.651 -7.665 -4.074
453 H LEU 77 HN LEU 77 -9.158 -3.442 -1.975
454 HA LEU 77 HA LEU 77 -9.514 -3.380 0.829
455 HB2 LEU 77 HB2 LEU 77 -7.338 -3.757 0.675
456 HB3 LEU 77 HB1 LEU 77 -7.344 -3.302 -1.020
457 HG LEU 77 HG LEU 77 -7.395 -1.011 0.788
458 HD11 LEU 77 HD11 LEU 77 -6.039 -2.518 2.144
459 HD12 LEU 77 HD12 LEU 77 -5.064 -1.219 1.462
460 HD13 LEU 77 HD13 LEU 77 -4.996 -2.833 0.756
461 HD21 LEU 77 HD21 LEU 77 -5.627 -0.244 -0.721
462 HD22 LEU 77 HD22 LEU 77 -7.039 -0.812 -1.612
463 HD23 LEU 77 HD23 LEU 77 -5.602 -1.828 -1.494
464 H LYS 78 HN LYS 78 -9.257 -0.769 -1.580
465 HA LYS 78 HA LYS 78 -8.948 1.299 0.328
466 HB2 LYS 78 HB2 LYS 78 -8.247 1.615 -1.966
467 HB3 LYS 78 HB1 LYS 78 -9.896 1.403 -2.532
468 HG2 LYS 78 HG2 LYS 78 -10.564 3.452 -1.391
469 HG3 LYS 78 HG1 LYS 78 -8.916 3.660 -0.787
470 HD2 LYS 78 HD2 LYS 78 -9.351 5.062 -2.746
471 HD3 LYS 78 HD1 LYS 78 -8.090 3.873 -3.062
472 HE2 LYS 78 HE2 LYS 78 -9.566 4.019 -4.966
473 HE3 LYS 78 HE1 LYS 78 -9.757 2.449 -4.192
474 HZ1 LYS 78 HZ1 LYS 78 -11.769 3.219 -3.151
475 HZ2 LYS 78 HZ2 LYS 78 -11.877 3.463 -4.817
476 HZ3 LYS 78 HZ3 LYS 78 -11.566 4.769 -3.792
477 H ARG 79 HN ARG 79 -11.768 -0.145 -1.175
478 HA ARG 79 HA ARG 79 -13.611 1.864 -0.399
479 HB2 ARG 79 HB2 ARG 79 -15.353 0.317 -1.028
480 HB3 ARG 79 HB1 ARG 79 -14.060 0.241 -2.215
481 HG2 ARG 79 HG2 ARG 79 -13.246 -1.813 -1.265
482 HG3 ARG 79 HG1 ARG 79 -14.430 -1.709 0.041
483 HD2 ARG 79 HD2 ARG 79 -15.098 -1.944 -2.894
484 HD3 ARG 79 HD1 ARG 79 -15.092 -3.287 -1.750
485 HE ARG 79 HE ARG 79 -16.762 -1.482 -0.603
486 HH11 ARG 79 HH11 ARG 79 -16.638 -3.007 -3.747
487 HH12 ARG 79 HH12 ARG 79 -18.351 -2.933 -3.990
488 HH21 ARG 79 HH21 ARG 79 -19.014 -1.383 -0.918
489 HH22 ARG 79 HH22 ARG 79 -19.707 -2.020 -2.376
490 H MET 80 HN MET 80 -12.012 -0.529 1.378
491 HA MET 80 HA MET 80 -14.076 -1.127 3.268
492 HB2 MET 80 HB2 MET 80 -11.089 -1.546 3.392
493 HB3 MET 80 HB1 MET 80 -12.230 -2.160 4.580
494 HG2 MET 80 HG2 MET 80 -12.183 -2.871 1.661
495 HG3 MET 80 HG1 MET 80 -11.570 -3.871 2.978
496 HE1 MET 80 HE1 MET 80 -14.792 -5.777 1.803
497 HE2 MET 80 HE2 MET 80 -13.058 -5.900 2.104
498 HE3 MET 80 HE3 MET 80 -13.654 -4.883 0.794
499 H GLY 81 HN GLY 81 -12.875 1.737 2.760
500 HA2 GLY 81 HA2 GLY 81 -13.462 3.470 4.361
501 HA3 GLY 81 HA1 GLY 81 -12.894 2.405 5.636
502 H GLY 82 HN GLY 82 -11.320 3.242 2.563
503 HA2 GLY 82 HA2 GLY 82 -8.778 3.536 3.668
504 HA3 GLY 82 HA1 GLY 82 -9.283 4.205 2.128
505 H CYS 83 HN CYS 83 -8.179 4.877 5.170
506 HA CYS 83 HA CYS 83 -7.775 6.740 6.376
507 HB2 CYS 83 HB2 CYS 83 -7.154 7.617 4.079
508 HB3 CYS 83 HB1 CYS 83 -8.750 8.351 4.017
509 HG CYS 83 HG CYS 83 -6.190 9.137 6.142
510 H VAL 84 HN VAL 84 -10.533 5.495 6.149
511 HA VAL 84 HA VAL 84 -12.138 7.766 7.088
512 HB VAL 84 HB VAL 84 -13.030 4.959 6.387
513 HG11 VAL 84 HG11 VAL 84 -15.304 5.860 6.553
514 HG12 VAL 84 HG12 VAL 84 -14.650 7.406 7.096
515 HG13 VAL 84 HG13 VAL 84 -14.453 5.966 8.093
516 HG21 VAL 84 HG21 VAL 84 -14.067 6.009 4.429
517 HG22 VAL 84 HG22 VAL 84 -12.316 6.215 4.424
518 HG23 VAL 84 HG23 VAL 84 -13.361 7.558 4.888
Start of MODEL 7
1 H1 MET 16 HT1 MET 16 -6.855 0.462 10.589
2 H2 MET 16 HT2 MET 16 -5.284 1.058 10.417
3 H3 MET 16 HT3 MET 16 -5.534 -0.523 10.953
4 HA MET 16 HA MET 16 -4.826 -0.489 8.657
5 HB2 MET 16 HB2 MET 16 -6.514 -1.951 7.771
6 HB3 MET 16 HB1 MET 16 -6.370 -2.260 9.494
7 HG2 MET 16 HG2 MET 16 -8.379 -0.971 9.917
8 HG3 MET 16 HG1 MET 16 -8.510 -0.580 8.204
9 HE1 MET 16 HE1 MET 16 -11.509 -3.025 8.702
10 HE2 MET 16 HE2 MET 16 -10.995 -1.446 8.110
11 HE3 MET 16 HE3 MET 16 -10.926 -1.807 9.835
12 H SER 17 HN SER 17 -7.102 1.892 9.461
13 HA SER 17 HA SER 17 -8.403 2.324 7.028
14 HB2 SER 17 HB2 SER 17 -7.696 4.353 9.156
15 HB3 SER 17 HB1 SER 17 -8.964 4.517 7.939
16 HG SER 17 HG SER 17 -10.222 3.477 9.245
17 H ASP 18 HN ASP 18 -5.513 3.944 8.350
18 HA ASP 18 HA ASP 18 -5.108 5.567 6.056
19 HB2 ASP 18 HB2 ASP 18 -3.293 4.786 8.326
20 HB3 ASP 18 HB1 ASP 18 -2.792 5.878 7.042
21 H TYR 19 HN TYR 19 -3.870 2.453 7.096
22 HA TYR 19 HA TYR 19 -1.862 2.065 5.224
23 HB2 TYR 19 HB2 TYR 19 -1.715 0.228 6.508
24 HB3 TYR 19 HB1 TYR 19 -3.368 0.426 7.077
25 HD1 TYR 19 HD1 TYR 19 -5.002 -1.126 6.452
26 HD2 TYR 19 HD2 TYR 19 -1.400 -0.884 4.205
27 HE1 TYR 19 HE1 TYR 19 -5.637 -3.147 5.221
28 HE2 TYR 19 HE2 TYR 19 -2.036 -2.902 2.961
29 HH TYR 19 HH TYR 19 -3.482 -4.903 3.369
30 H LEU 20 HN LEU 20 -5.340 1.742 4.884
31 HA LEU 20 HA LEU 20 -5.531 0.145 2.653
32 HB2 LEU 20 HB2 LEU 20 -7.245 2.540 3.298
33 HB3 LEU 20 HB1 LEU 20 -7.665 1.260 2.176
34 HG LEU 20 HG LEU 20 -7.313 0.964 5.160
35 HD11 LEU 20 HD11 LEU 20 -9.710 0.497 5.144
36 HD12 LEU 20 HD12 LEU 20 -9.762 0.828 3.412
37 HD13 LEU 20 HD13 LEU 20 -9.358 2.119 4.545
38 HD21 LEU 20 HD21 LEU 20 -6.577 -1.043 4.001
39 HD22 LEU 20 HD22 LEU 20 -8.081 -1.081 3.083
40 HD23 LEU 20 HD23 LEU 20 -8.107 -1.326 4.828
41 H LYS 21 HN LYS 21 -5.095 3.667 2.744
42 HA LYS 21 HA LYS 21 -5.074 3.786 -0.137
43 HB2 LYS 21 HB2 LYS 21 -4.628 5.929 1.936
44 HB3 LYS 21 HB1 LYS 21 -4.676 6.211 0.200
45 HG2 LYS 21 HG2 LYS 21 -6.984 5.358 0.138
46 HG3 LYS 21 HG1 LYS 21 -6.928 5.131 1.887
47 HD2 LYS 21 HD2 LYS 21 -8.065 7.208 1.336
48 HD3 LYS 21 HD1 LYS 21 -6.553 7.536 2.183
49 HE2 LYS 21 HE2 LYS 21 -5.463 8.059 0.074
50 HE3 LYS 21 HE1 LYS 21 -6.940 7.670 -0.806
51 HZ1 LYS 21 HZ1 LYS 21 -6.712 9.826 1.220
52 HZ2 LYS 21 HZ2 LYS 21 -8.051 9.497 0.244
53 HZ3 LYS 21 HZ3 LYS 21 -6.618 10.066 -0.450
54 H VAL 22 HN VAL 22 -2.734 3.253 2.269
55 HA VAL 22 HA VAL 22 -0.500 4.639 1.412
56 HB VAL 22 HB VAL 22 -0.765 1.922 2.691
57 HG11 VAL 22 HG11 VAL 22 1.620 1.908 3.127
58 HG12 VAL 22 HG12 VAL 22 1.819 3.411 2.223
59 HG13 VAL 22 HG13 VAL 22 1.327 1.937 1.388
60 HG21 VAL 22 HG21 VAL 22 -1.405 3.825 4.043
61 HG22 VAL 22 HG22 VAL 22 0.134 4.616 3.699
62 HG23 VAL 22 HG23 VAL 22 0.100 3.131 4.654
63 H LEU 23 HN LEU 23 -1.181 1.237 0.517
64 HA LEU 23 HA LEU 23 0.819 1.329 -1.499
65 HB2 LEU 23 HB2 LEU 23 -0.664 -0.898 -2.112
66 HB3 LEU 23 HB1 LEU 23 0.761 -0.837 -1.102
67 HG LEU 23 HG LEU 23 -0.729 -0.597 0.886
68 HD11 LEU 23 HD11 LEU 23 -2.884 -1.099 -1.161
69 HD12 LEU 23 HD12 LEU 23 -2.715 0.308 -0.111
70 HD13 LEU 23 HD13 LEU 23 -3.099 -1.266 0.579
71 HD21 LEU 23 HD21 LEU 23 -1.068 -3.015 -0.878
72 HD22 LEU 23 HD22 LEU 23 -1.489 -2.957 0.832
73 HD23 LEU 23 HD23 LEU 23 0.188 -2.742 0.331
74 H GLN 24 HN GLN 24 -2.733 1.560 -1.656
75 HA GLN 24 HA GLN 24 -2.689 1.247 -4.498
76 HB2 GLN 24 HB2 GLN 24 -5.089 1.666 -4.435
77 HB3 GLN 24 HB1 GLN 24 -4.597 0.402 -3.324
78 HG2 GLN 24 HG2 GLN 24 -6.137 1.600 -2.096
79 HG3 GLN 24 HG1 GLN 24 -4.609 2.292 -1.560
80 HE21 GLN 24 HE21 GLN 24 -6.052 3.012 -4.666
81 HE22 GLN 24 HE22 GLN 24 -6.443 4.657 -4.314
82 H ALA 25 HN ALA 25 -2.513 4.030 -2.415
83 HA ALA 25 HA ALA 25 -3.748 5.857 -4.176
84 HB1 ALA 25 HB1 ALA 25 -1.637 6.491 -2.136
85 HB2 ALA 25 HB2 ALA 25 -3.360 6.327 -1.797
86 HB3 ALA 25 HB3 ALA 25 -2.787 7.615 -2.858
87 H ILE 26 HN ILE 26 -0.308 5.058 -3.737
88 HA ILE 26 HA ILE 26 0.828 6.895 -5.403
89 HB ILE 26 HB ILE 26 2.239 5.494 -4.119
90 HG12 ILE 26 HG12 ILE 26 2.636 4.864 -7.048
91 HG13 ILE 26 HG11 ILE 26 3.242 6.279 -6.197
92 HG21 ILE 26 HG21 ILE 26 1.449 3.087 -5.734
93 HG22 ILE 26 HG22 ILE 26 0.684 3.516 -4.207
94 HG23 ILE 26 HG23 ILE 26 2.406 3.139 -4.246
95 HD11 ILE 26 HD11 ILE 26 4.641 4.812 -4.810
96 HD12 ILE 26 HD12 ILE 26 5.012 4.687 -6.528
97 HD13 ILE 26 HD13 ILE 26 4.069 3.425 -5.737
98 H LYS 27 HN LYS 27 -0.727 3.847 -6.425
99 HA LYS 27 HA LYS 27 0.080 4.168 -9.153
100 HB2 LYS 27 HB2 LYS 27 -1.231 2.214 -9.595
101 HB3 LYS 27 HB1 LYS 27 -0.368 1.967 -8.093
102 HG2 LYS 27 HG2 LYS 27 -2.381 2.457 -6.831
103 HG3 LYS 27 HG1 LYS 27 -3.259 2.754 -8.331
104 HD2 LYS 27 HD2 LYS 27 -1.882 0.137 -7.917
105 HD3 LYS 27 HD1 LYS 27 -3.432 0.439 -7.132
106 HE2 LYS 27 HE2 LYS 27 -3.761 -0.701 -9.240
107 HE3 LYS 27 HE1 LYS 27 -4.437 0.923 -9.305
108 HZ1 LYS 27 HZ1 LYS 27 -2.637 1.660 -10.629
109 HZ2 LYS 27 HZ2 LYS 27 -3.163 0.208 -11.313
110 HZ3 LYS 27 HZ3 LYS 27 -1.756 0.237 -10.377
111 H SER 28 HN SER 28 -2.547 5.279 -7.231
112 HA SER 28 HA SER 28 -4.271 5.716 -9.547
113 HB2 SER 28 HB2 SER 28 -5.191 4.689 -7.472
114 HB3 SER 28 HB1 SER 28 -4.847 6.188 -6.613
115 HG SER 28 HG SER 28 -6.258 6.657 -8.879
116 H CYS 29 HN CYS 29 -2.850 7.592 -6.872
117 HA CYS 29 HA CYS 29 -2.789 9.966 -8.529
118 HB2 CYS 29 HB2 CYS 29 -5.081 9.971 -7.557
119 HB3 CYS 29 HB1 CYS 29 -4.375 9.941 -5.946
120 HG CYS 29 HG CYS 29 -4.325 12.492 -8.213
121 HA PRO 30 HA PRO 30 0.929 10.009 -6.159
122 HB2 PRO 30 HB2 PRO 30 2.043 12.241 -7.177
123 HB3 PRO 30 HB1 PRO 30 1.891 10.746 -8.109
124 HG2 PRO 30 HG2 PRO 30 0.176 13.198 -8.168
125 HG3 PRO 30 HG1 PRO 30 0.785 12.228 -9.522
126 HD2 PRO 30 HD2 PRO 30 -1.745 11.993 -8.539
127 HD3 PRO 30 HD1 PRO 30 -0.867 10.647 -9.293
128 H LYS 31 HN LYS 31 -1.352 11.099 -4.746
129 HA LYS 31 HA LYS 31 -0.151 13.379 -3.340
130 HB2 LYS 31 HB2 LYS 31 -2.841 12.034 -2.984
131 HB3 LYS 31 HB1 LYS 31 -2.281 13.417 -2.054
132 HG2 LYS 31 HG2 LYS 31 -2.170 14.746 -4.103
133 HG3 LYS 31 HG1 LYS 31 -2.744 13.359 -5.030
134 HD2 LYS 31 HD2 LYS 31 -4.256 14.721 -2.801
135 HD3 LYS 31 HD1 LYS 31 -4.544 14.959 -4.524
136 HE2 LYS 31 HE2 LYS 31 -5.064 12.556 -4.737
137 HE3 LYS 31 HE1 LYS 31 -4.850 12.376 -2.997
138 HZ1 LYS 31 HZ1 LYS 31 -7.175 12.609 -3.580
139 HZ2 LYS 31 HZ2 LYS 31 -6.870 14.097 -4.320
140 HZ3 LYS 31 HZ3 LYS 31 -6.666 13.929 -2.653
141 H THR 32 HN THR 32 -1.966 10.586 -2.123
142 HA THR 32 HA THR 32 0.093 9.956 -0.192
143 HB THR 32 HB THR 32 -2.307 8.270 -0.942
144 HG1 THR 32 HG1 THR 32 -2.106 10.615 0.586
145 HG21 THR 32 HG21 THR 32 -0.696 8.463 1.609
146 HG22 THR 32 HG22 THR 32 -0.606 7.155 0.431
147 HG23 THR 32 HG23 THR 32 -2.090 7.416 1.345
148 H PHE 33 HN PHE 33 1.391 8.028 -0.314
149 HA PHE 33 HA PHE 33 1.435 6.685 -2.880
150 HB2 PHE 33 HB2 PHE 33 3.857 7.205 -3.188
151 HB3 PHE 33 HB1 PHE 33 2.799 8.600 -3.370
152 HD1 PHE 33 HD1 PHE 33 4.962 6.884 -0.873
153 HD2 PHE 33 HD2 PHE 33 3.202 10.534 -2.167
154 HE1 PHE 33 HE1 PHE 33 6.265 8.106 0.817
155 HE2 PHE 33 HE2 PHE 33 4.501 11.761 -0.476
156 HZ PHE 33 HZ PHE 33 6.031 10.548 1.019
157 H GLN 34 HN GLN 34 3.410 5.150 -2.899
158 HA GLN 34 HA GLN 34 3.591 3.893 -0.249
159 HB2 GLN 34 HB2 GLN 34 3.070 1.859 -1.164
160 HB3 GLN 34 HB1 GLN 34 2.241 2.870 -2.312
161 HG2 GLN 34 HG2 GLN 34 4.219 2.763 -3.784
162 HG3 GLN 34 HG1 GLN 34 4.950 1.627 -2.654
163 HE21 GLN 34 HE21 GLN 34 2.446 0.324 -2.020
164 HE22 GLN 34 HE22 GLN 34 2.038 -0.646 -3.387
165 H SER 35 HN SER 35 5.266 5.479 -2.607
166 HA SER 35 HA SER 35 7.451 4.008 -3.337
167 HB2 SER 35 HB2 SER 35 7.630 6.947 -2.696
168 HB3 SER 35 HB1 SER 35 8.450 6.052 -3.977
169 HG SER 35 HG SER 35 6.825 6.751 -5.132
170 H ASN 36 HN ASN 36 7.828 6.568 -0.873
171 HA ASN 36 HA ASN 36 9.884 4.915 0.402
172 HB2 ASN 36 HB2 ASN 36 10.528 6.943 1.626
173 HB3 ASN 36 HB1 ASN 36 10.520 7.238 -0.109
174 HD21 ASN 36 HD21 ASN 36 9.128 8.714 -0.956
175 HD22 ASN 36 HD22 ASN 36 8.108 9.726 0.006
176 H TYR 37 HN TYR 37 6.685 5.353 0.572
177 HA TYR 37 HA TYR 37 6.187 5.680 3.342
178 HB2 TYR 37 HB2 TYR 37 4.647 5.633 1.077
179 HB3 TYR 37 HB1 TYR 37 4.239 4.090 1.815
180 HD1 TYR 37 HD1 TYR 37 3.333 4.083 4.179
181 HD2 TYR 37 HD2 TYR 37 3.753 7.643 1.892
182 HE1 TYR 37 HE1 TYR 37 1.734 5.218 5.662
183 HE2 TYR 37 HE2 TYR 37 2.159 8.789 3.368
184 HH TYR 37 HH TYR 37 0.308 8.194 4.892
185 H VAL 38 HN VAL 38 6.653 2.895 1.242
186 HA VAL 38 HA VAL 38 6.082 0.868 3.105
187 HB VAL 38 HB VAL 38 7.966 0.834 0.738
188 HG11 VAL 38 HG11 VAL 38 6.830 -1.482 2.301
189 HG12 VAL 38 HG12 VAL 38 8.512 -0.953 2.312
190 HG13 VAL 38 HG13 VAL 38 7.799 -1.595 0.833
191 HG21 VAL 38 HG21 VAL 38 5.127 -0.148 1.006
192 HG22 VAL 38 HG22 VAL 38 6.134 -0.255 -0.435
193 HG23 VAL 38 HG23 VAL 38 5.631 1.321 0.174
194 H ARG 39 HN ARG 39 9.036 2.635 2.382
195 HA ARG 39 HA ARG 39 10.876 1.215 3.888
196 HB2 ARG 39 HB2 ARG 39 11.339 3.196 2.397
197 HB3 ARG 39 HB1 ARG 39 10.798 4.225 3.717
198 HG2 ARG 39 HG2 ARG 39 13.168 4.147 3.803
199 HG3 ARG 39 HG1 ARG 39 12.563 3.172 5.144
200 HD2 ARG 39 HD2 ARG 39 14.451 2.115 3.902
201 HD3 ARG 39 HD1 ARG 39 12.981 1.137 3.937
202 HE ARG 39 HE ARG 39 13.743 2.804 1.624
203 HH11 ARG 39 HH11 ARG 39 12.614 -0.207 3.006
204 HH12 ARG 39 HH12 ARG 39 12.274 -0.931 1.465
205 HH21 ARG 39 HH21 ARG 39 13.304 1.858 -0.403
206 HH22 ARG 39 HH22 ARG 39 12.676 0.240 -0.472
207 H ASN 40 HN ASN 40 8.863 3.943 4.961
208 HA ASN 40 HA ASN 40 9.803 3.665 7.678
209 HB2 ASN 40 HB2 ASN 40 9.338 5.882 6.652
210 HB3 ASN 40 HB1 ASN 40 7.632 5.458 6.575
211 HD21 ASN 40 HD21 ASN 40 10.282 6.323 8.629
212 HD22 ASN 40 HD22 ASN 40 9.343 6.662 10.041
213 H ASN 41 HN ASN 41 6.676 3.336 6.017
214 HA ASN 41 HA ASN 41 5.538 2.242 8.489
215 HB2 ASN 41 HB2 ASN 41 4.147 3.266 6.003
216 HB3 ASN 41 HB1 ASN 41 3.353 2.727 7.480
217 HD21 ASN 41 HD21 ASN 41 3.452 4.022 9.323
218 HD22 ASN 41 HD22 ASN 41 3.906 5.691 9.243
219 H ALA 42 HN ALA 42 7.144 0.451 7.352
220 HA ALA 42 HA ALA 42 6.023 -1.185 5.352
221 HB1 ALA 42 HB1 ALA 42 7.655 -2.839 6.019
222 HB2 ALA 42 HB2 ALA 42 7.937 -1.991 7.538
223 HB3 ALA 42 HB3 ALA 42 8.398 -1.240 6.010
224 H SER 43 HN SER 43 5.559 -1.022 8.807
225 HA SER 43 HA SER 43 4.276 -3.500 9.178
226 HB2 SER 43 HB2 SER 43 3.285 -2.289 11.211
227 HB3 SER 43 HB1 SER 43 5.044 -2.389 11.118
228 HG SER 43 HG SER 43 3.853 -0.248 11.549
229 H LEU 44 HN LEU 44 3.098 -0.332 8.181
230 HA LEU 44 HA LEU 44 0.343 -1.002 8.202
231 HB2 LEU 44 HB2 LEU 44 1.876 1.074 6.634
232 HB3 LEU 44 HB1 LEU 44 0.133 0.917 6.571
233 HG LEU 44 HG LEU 44 1.797 1.681 8.972
234 HD11 LEU 44 HD11 LEU 44 -0.292 3.197 7.410
235 HD12 LEU 44 HD12 LEU 44 1.450 3.461 7.325
236 HD13 LEU 44 HD13 LEU 44 0.581 3.785 8.825
237 HD21 LEU 44 HD21 LEU 44 -1.173 1.202 8.765
238 HD22 LEU 44 HD22 LEU 44 -0.358 1.946 10.139
239 HD23 LEU 44 HD23 LEU 44 -0.020 0.269 9.718
240 H VAL 45 HN VAL 45 2.833 -1.051 5.688
241 HA VAL 45 HA VAL 45 1.185 -1.974 3.598
242 HB VAL 45 HB VAL 45 4.138 -2.528 3.894
243 HG11 VAL 45 HG11 VAL 45 3.065 -3.747 2.087
244 HG12 VAL 45 HG12 VAL 45 4.130 -2.493 1.448
245 HG13 VAL 45 HG13 VAL 45 2.384 -2.243 1.461
246 HG21 VAL 45 HG21 VAL 45 4.553 -0.421 2.791
247 HG22 VAL 45 HG22 VAL 45 3.640 -0.144 4.274
248 HG23 VAL 45 HG23 VAL 45 2.824 -0.090 2.711
249 H ALA 46 HN ALA 46 2.899 -3.619 6.180
250 HA ALA 46 HA ALA 46 2.771 -6.251 5.180
251 HB1 ALA 46 HB1 ALA 46 4.238 -5.571 7.023
252 HB2 ALA 46 HB2 ALA 46 3.239 -6.958 7.454
253 HB3 ALA 46 HB3 ALA 46 2.827 -5.353 8.057
254 H GLU 47 HN GLU 47 0.423 -4.268 6.828
255 HA GLU 47 HA GLU 47 -1.406 -6.225 7.637
256 HB2 GLU 47 HB2 GLU 47 -1.774 -3.355 6.809
257 HB3 GLU 47 HB1 GLU 47 -3.119 -4.357 7.337
258 HG2 GLU 47 HG2 GLU 47 -0.663 -3.703 8.951
259 HG3 GLU 47 HG1 GLU 47 -2.261 -2.984 9.153
260 H ALA 48 HN ALA 48 -0.685 -4.920 4.524
261 HA ALA 48 HA ALA 48 -2.986 -5.509 3.078
262 HB1 ALA 48 HB1 ALA 48 -0.172 -5.771 2.072
263 HB2 ALA 48 HB2 ALA 48 -1.009 -4.236 2.267
264 HB3 ALA 48 HB3 ALA 48 -1.621 -5.435 1.125
265 H ALA 49 HN ALA 49 -0.513 -7.634 4.294
266 HA ALA 49 HA ALA 49 -1.008 -9.850 2.634
267 HB1 ALA 49 HB1 ALA 49 0.969 -9.694 4.057
268 HB2 ALA 49 HB2 ALA 49 0.069 -11.176 4.387
269 HB3 ALA 49 HB3 ALA 49 -0.048 -9.807 5.493
270 H SER 50 HN SER 50 -2.587 -8.627 5.514
271 HA SER 50 HA SER 50 -4.258 -10.893 5.948
272 HB2 SER 50 HB2 SER 50 -4.742 -8.027 6.796
273 HB3 SER 50 HB1 SER 50 -5.443 -9.479 7.513
274 HG SER 50 HG SER 50 -3.004 -10.004 7.750
275 H ARG 51 HN ARG 51 -4.512 -7.938 4.054
276 HA ARG 51 HA ARG 51 -7.223 -8.408 3.239
277 HB2 ARG 51 HB2 ARG 51 -5.077 -6.485 2.512
278 HB3 ARG 51 HB1 ARG 51 -6.336 -6.764 1.321
279 HG2 ARG 51 HG2 ARG 51 -6.849 -4.827 2.674
280 HG3 ARG 51 HG1 ARG 51 -8.031 -6.100 2.951
281 HD2 ARG 51 HD2 ARG 51 -5.679 -5.923 4.766
282 HD3 ARG 51 HD1 ARG 51 -6.973 -4.737 4.941
283 HE ARG 51 HE ARG 51 -7.940 -7.436 4.844
284 HH11 ARG 51 HH11 ARG 51 -6.546 -5.013 6.950
285 HH12 ARG 51 HH12 ARG 51 -7.285 -5.643 8.384
286 HH21 ARG 51 HH21 ARG 51 -8.911 -8.273 6.731
287 HH22 ARG 51 HH22 ARG 51 -8.636 -7.498 8.258
288 H GLY 52 HN GLY 52 -4.071 -9.381 2.155
289 HA2 GLY 52 HA2 GLY 52 -3.831 -11.486 1.088
290 HA3 GLY 52 HA1 GLY 52 -5.424 -11.282 0.384
291 H HIS 53 HN HIS 53 -3.026 -8.700 0.256
292 HA HIS 53 HA HIS 53 -2.159 -9.536 -2.371
293 HB2 HIS 53 HB2 HIS 53 -3.015 -7.704 -3.608
294 HB3 HIS 53 HB1 HIS 53 -4.362 -8.342 -2.678
295 HD1 HIS 53 HD1 HIS 53 -5.363 -6.839 -0.851
296 HD2 HIS 53 HD2 HIS 53 -2.182 -5.120 -2.904
297 HE1 HIS 53 HE1 HIS 53 -5.388 -4.411 -0.211
298 HE2 HIS 53 HE2 HIS 53 -3.362 -3.425 -1.338
299 H ILE 54 HN ILE 54 -0.108 -9.048 -2.620
300 HA ILE 54 HA ILE 54 0.953 -6.460 -2.050
301 HB ILE 54 HB ILE 54 2.942 -7.685 -0.750
302 HG12 ILE 54 HG12 ILE 54 0.456 -9.090 0.248
303 HG13 ILE 54 HG11 ILE 54 1.785 -9.847 -0.624
304 HG21 ILE 54 HG21 ILE 54 2.020 -5.646 0.000
305 HG22 ILE 54 HG22 ILE 54 1.958 -6.771 1.359
306 HG23 ILE 54 HG23 ILE 54 0.497 -6.420 0.434
307 HD11 ILE 54 HD11 ILE 54 1.929 -8.572 2.096
308 HD12 ILE 54 HD12 ILE 54 3.294 -9.265 1.221
309 HD13 ILE 54 HD13 ILE 54 1.962 -10.300 1.737
310 H SER 55 HN SER 55 3.195 -6.267 -2.769
311 HA SER 55 HA SER 55 4.241 -8.487 -4.305
312 HB2 SER 55 HB2 SER 55 2.732 -7.187 -5.839
313 HB3 SER 55 HB1 SER 55 3.771 -5.788 -5.582
314 HG SER 55 HG SER 55 4.271 -8.145 -7.003
315 H CYS 56 HN CYS 56 6.366 -8.619 -3.835
316 HA CYS 56 HA CYS 56 7.644 -6.201 -2.749
317 HB2 CYS 56 HB2 CYS 56 7.373 -8.110 -1.178
318 HB3 CYS 56 HB1 CYS 56 8.378 -9.089 -2.240
319 HG CYS 56 HG CYS 56 9.271 -6.625 -0.110
320 H ALA 57 HN ALA 57 9.168 -5.302 -3.937
321 HA ALA 57 HA ALA 57 10.566 -6.766 -5.999
322 HB1 ALA 57 HB1 ALA 57 10.017 -4.408 -6.341
323 HB2 ALA 57 HB2 ALA 57 11.763 -4.660 -6.375
324 HB3 ALA 57 HB3 ALA 57 11.001 -3.972 -4.943
325 H THR 58 HN THR 58 11.480 -5.028 -3.069
326 HA THR 58 HA THR 58 13.189 -7.110 -2.116
327 HB THR 58 HB THR 58 14.611 -4.492 -2.591
328 HG1 THR 58 HG1 THR 58 14.072 -6.500 -4.466
329 HG21 THR 58 HG21 THR 58 15.813 -5.871 -1.109
330 HG22 THR 58 HG22 THR 58 16.586 -6.127 -2.671
331 HG23 THR 58 HG23 THR 58 15.457 -7.324 -2.040
332 H THR 59 HN THR 59 14.406 -5.947 -0.057
333 HA THR 59 HA THR 59 13.090 -3.605 0.953
334 HB THR 59 HB THR 59 12.830 -6.022 2.745
335 HG1 THR 59 HG1 THR 59 11.189 -5.229 0.634
336 HG21 THR 59 HG21 THR 59 11.475 -3.316 2.720
337 HG22 THR 59 HG22 THR 59 12.772 -3.812 3.805
338 HG23 THR 59 HG23 THR 59 11.195 -4.596 3.901
339 H SER 60 HN SER 60 15.617 -5.758 0.753
340 HA SER 60 HA SER 60 16.935 -5.609 3.182
341 HB2 SER 60 HB2 SER 60 17.464 -7.090 1.186
342 HB3 SER 60 HB1 SER 60 18.308 -5.706 0.497
343 HG SER 60 HG SER 60 19.938 -6.200 1.705
344 H GLY 61 HN GLY 61 16.942 -3.372 0.471
345 HA2 GLY 61 HA2 GLY 61 18.337 -1.445 2.208
346 HA3 GLY 61 HA1 GLY 61 18.754 -1.612 0.509
347 H ARG 62 HN ARG 62 18.156 0.819 1.020
348 HA ARG 62 HA ARG 62 15.321 1.355 0.914
349 HB2 ARG 62 HB2 ARG 62 15.999 3.724 0.755
350 HB3 ARG 62 HB1 ARG 62 16.730 2.902 2.125
351 HG2 ARG 62 HG2 ARG 62 18.818 2.686 0.882
352 HG3 ARG 62 HG1 ARG 62 18.082 3.509 -0.495
353 HD2 ARG 62 HD2 ARG 62 19.447 5.039 0.835
354 HD3 ARG 62 HD1 ARG 62 17.749 5.505 0.858
355 HE ARG 62 HE ARG 62 17.864 4.108 3.090
356 HH11 ARG 62 HH11 ARG 62 20.140 6.442 1.832
357 HH12 ARG 62 HH12 ARG 62 20.699 6.933 3.400
358 HH21 ARG 62 HH21 ARG 62 18.577 4.769 5.162
359 HH22 ARG 62 HH22 ARG 62 19.796 5.997 5.294
360 H ASN 63 HN ASN 63 17.785 0.670 -1.306
361 HA ASN 63 HA ASN 63 16.255 1.823 -3.533
362 HB2 ASN 63 HB2 ASN 63 19.085 0.763 -3.405
363 HB3 ASN 63 HB1 ASN 63 18.301 1.301 -4.887
364 HD21 ASN 63 HD21 ASN 63 17.846 3.507 -5.158
365 HD22 ASN 63 HD22 ASN 63 18.629 4.718 -4.204
366 H GLY 64 HN GLY 64 14.838 0.481 -4.411
367 HA2 GLY 64 HA2 GLY 64 14.291 -1.450 -5.676
368 HA3 GLY 64 HA1 GLY 64 15.632 -2.301 -4.917
369 H GLY 65 HN GLY 65 14.768 -1.188 -2.282
370 HA2 GLY 65 HA2 GLY 65 13.234 -3.557 -1.696
371 HA3 GLY 65 HA1 GLY 65 13.979 -2.489 -0.528
372 H ALA 66 HN ALA 66 11.511 -2.133 -3.060
373 HA ALA 66 HA ALA 66 9.795 -0.890 -1.013
374 HB1 ALA 66 HB1 ALA 66 10.400 0.681 -2.766
375 HB2 ALA 66 HB2 ALA 66 8.681 0.294 -2.856
376 HB3 ALA 66 HB3 ALA 66 9.811 -0.438 -3.995
377 H TRP 67 HN TRP 67 7.659 -1.514 -0.888
378 HA TRP 67 HA TRP 67 6.943 -3.949 -2.364
379 HB2 TRP 67 HB2 TRP 67 5.759 -2.617 0.073
380 HB3 TRP 67 HB1 TRP 67 4.903 -3.878 -0.803
381 HD1 TRP 67 HD1 TRP 67 8.176 -3.399 1.218
382 HE1 TRP 67 HE1 TRP 67 8.810 -5.657 2.270
383 HE3 TRP 67 HE3 TRP 67 4.572 -6.355 -0.932
384 HZ2 TRP 67 HZ2 TRP 67 7.908 -8.319 2.211
385 HZ3 TRP 67 HZ3 TRP 67 4.542 -8.744 -0.366
386 HH2 TRP 67 HH2 TRP 67 6.170 -9.705 1.167
387 H GLU 68 HN GLU 68 5.485 -3.889 -3.960
388 HA GLU 68 HA GLU 68 4.109 -1.326 -4.399
389 HB2 GLU 68 HB2 GLU 68 4.131 -1.762 -6.758
390 HB3 GLU 68 HB1 GLU 68 5.768 -1.985 -6.158
391 HG2 GLU 68 HG2 GLU 68 5.446 -4.400 -6.168
392 HG3 GLU 68 HG1 GLU 68 3.798 -4.173 -6.755
393 H ILE 69 HN ILE 69 2.021 -1.639 -5.663
394 HA ILE 69 HA ILE 69 0.529 -3.716 -4.227
395 HB ILE 69 HB ILE 69 -0.148 -1.387 -3.820
396 HG12 ILE 69 HG12 ILE 69 -2.149 -3.084 -5.323
397 HG13 ILE 69 HG11 ILE 69 -1.825 -3.120 -3.594
398 HG21 ILE 69 HG21 ILE 69 -0.814 -1.340 -6.756
399 HG22 ILE 69 HG22 ILE 69 0.469 -0.428 -5.961
400 HG23 ILE 69 HG23 ILE 69 -1.220 -0.080 -5.590
401 HD11 ILE 69 HD11 ILE 69 -2.692 -0.830 -3.412
402 HD12 ILE 69 HD12 ILE 69 -3.888 -1.970 -4.030
403 HD13 ILE 69 HD13 ILE 69 -3.075 -0.861 -5.135
404 H THR 70 HN THR 70 -0.929 -5.042 -5.289
405 HA THR 70 HA THR 70 -0.542 -5.402 -8.122
406 HB THR 70 HB THR 70 -2.225 -7.259 -7.784
407 HG1 THR 70 HG1 THR 70 -2.851 -7.720 -5.678
408 HG21 THR 70 HG21 THR 70 -0.684 -8.703 -6.553
409 HG22 THR 70 HG22 THR 70 0.170 -7.290 -5.930
410 HG23 THR 70 HG23 THR 70 0.209 -7.653 -7.654
411 H ALA 71 HN ALA 71 -2.462 -5.430 -9.610
412 HA ALA 71 HA ALA 71 -3.619 -2.882 -9.524
413 HB1 ALA 71 HB1 ALA 71 -4.860 -3.534 -11.502
414 HB2 ALA 71 HB2 ALA 71 -4.486 -5.230 -11.200
415 HB3 ALA 71 HB3 ALA 71 -3.193 -4.100 -11.602
416 H SER 72 HN SER 72 -4.989 -6.044 -8.783
417 HA SER 72 HA SER 72 -7.655 -5.182 -8.480
418 HB2 SER 72 HB2 SER 72 -7.835 -7.419 -7.219
419 HB3 SER 72 HB1 SER 72 -7.345 -7.471 -8.909
420 HG SER 72 HG SER 72 -6.072 -8.522 -6.915
421 H GLY 73 HN GLY 73 -4.929 -4.947 -6.358
422 HA2 GLY 73 HA2 GLY 73 -6.209 -5.353 -3.878
423 HA3 GLY 73 HA1 GLY 73 -4.704 -4.482 -4.123
424 H THR 74 HN THR 74 -5.948 -2.634 -5.972
425 HA THR 74 HA THR 74 -6.467 -0.516 -4.267
426 HB THR 74 HB THR 74 -7.393 -0.795 -7.126
427 HG1 THR 74 HG1 THR 74 -5.358 -0.990 -7.579
428 HG21 THR 74 HG21 THR 74 -8.217 1.234 -6.188
429 HG22 THR 74 HG22 THR 74 -6.812 1.653 -7.173
430 HG23 THR 74 HG23 THR 74 -6.670 1.576 -5.418
431 H ARG 75 HN ARG 75 -8.725 -2.789 -5.776
432 HA ARG 75 HA ARG 75 -10.966 -1.029 -5.464
433 HB2 ARG 75 HB2 ARG 75 -10.956 -3.964 -6.158
434 HB3 ARG 75 HB1 ARG 75 -12.283 -2.837 -6.399
435 HG2 ARG 75 HG2 ARG 75 -10.821 -1.555 -7.951
436 HG3 ARG 75 HG1 ARG 75 -9.622 -2.842 -7.799
437 HD2 ARG 75 HD2 ARG 75 -10.941 -3.198 -9.789
438 HD3 ARG 75 HD1 ARG 75 -11.302 -4.456 -8.608
439 HE ARG 75 HE ARG 75 -13.146 -2.394 -8.254
440 HH11 ARG 75 HH11 ARG 75 -12.312 -4.789 -10.665
441 HH12 ARG 75 HH12 ARG 75 -13.916 -4.861 -11.325
442 HH21 ARG 75 HH21 ARG 75 -15.248 -2.495 -9.106
443 HH22 ARG 75 HH22 ARG 75 -15.590 -3.565 -10.429
444 H PHE 76 HN PHE 76 -10.203 -4.213 -3.995
445 HA PHE 76 HA PHE 76 -12.516 -4.046 -2.333
446 HB2 PHE 76 HB2 PHE 76 -11.315 -6.073 -1.172
447 HB3 PHE 76 HB1 PHE 76 -12.103 -6.229 -2.725
448 HD1 PHE 76 HD1 PHE 76 -8.779 -5.742 -1.147
449 HD2 PHE 76 HD2 PHE 76 -10.964 -7.034 -4.560
450 HE1 PHE 76 HE1 PHE 76 -6.722 -6.701 -2.099
451 HE2 PHE 76 HE2 PHE 76 -8.914 -7.987 -5.521
452 HZ PHE 76 HZ PHE 76 -6.789 -7.824 -4.294
453 H LEU 77 HN LEU 77 -9.122 -3.475 -1.796
454 HA LEU 77 HA LEU 77 -9.353 -3.342 1.018
455 HB2 LEU 77 HB2 LEU 77 -7.171 -3.576 0.807
456 HB3 LEU 77 HB1 LEU 77 -7.261 -3.217 -0.906
457 HG LEU 77 HG LEU 77 -7.356 -0.858 0.839
458 HD11 LEU 77 HD11 LEU 77 -4.916 -0.930 1.238
459 HD12 LEU 77 HD12 LEU 77 -4.903 -2.601 0.676
460 HD13 LEU 77 HD13 LEU 77 -5.799 -2.165 2.132
461 HD21 LEU 77 HD21 LEU 77 -7.213 -0.663 -1.570
462 HD22 LEU 77 HD22 LEU 77 -5.739 -1.633 -1.585
463 HD23 LEU 77 HD23 LEU 77 -5.738 -0.041 -0.827
464 H LYS 78 HN LYS 78 -9.238 -0.758 -1.462
465 HA LYS 78 HA LYS 78 -9.212 1.312 0.500
466 HB2 LYS 78 HB2 LYS 78 -8.282 1.624 -1.779
467 HB3 LYS 78 HB1 LYS 78 -9.916 1.550 -2.429
468 HG2 LYS 78 HG2 LYS 78 -10.497 3.536 -1.049
469 HG3 LYS 78 HG1 LYS 78 -8.807 3.639 -0.551
470 HD2 LYS 78 HD2 LYS 78 -9.277 5.193 -2.365
471 HD3 LYS 78 HD1 LYS 78 -8.140 3.949 -2.885
472 HE2 LYS 78 HE2 LYS 78 -9.913 2.760 -4.032
473 HE3 LYS 78 HE1 LYS 78 -11.108 3.906 -3.431
474 HZ1 LYS 78 HZ1 LYS 78 -10.049 5.647 -4.705
475 HZ2 LYS 78 HZ2 LYS 78 -10.467 4.365 -5.723
476 HZ3 LYS 78 HZ3 LYS 78 -8.860 4.578 -5.251
477 H ARG 79 HN ARG 79 -11.726 -0.462 -1.097
478 HA ARG 79 HA ARG 79 -13.820 1.396 -0.868
479 HB2 ARG 79 HB2 ARG 79 -15.322 -0.387 -1.305
480 HB3 ARG 79 HB1 ARG 79 -13.861 -0.728 -2.217
481 HG2 ARG 79 HG2 ARG 79 -13.160 -2.323 -0.521
482 HG3 ARG 79 HG1 ARG 79 -14.612 -1.970 0.416
483 HD2 ARG 79 HD2 ARG 79 -14.577 -3.094 -2.381
484 HD3 ARG 79 HD1 ARG 79 -14.807 -4.040 -0.914
485 HE ARG 79 HE ARG 79 -16.668 -1.933 -1.814
486 HH11 ARG 79 HH11 ARG 79 -16.042 -5.056 -0.348
487 HH12 ARG 79 HH12 ARG 79 -17.720 -5.409 -0.089
488 HH21 ARG 79 HH21 ARG 79 -18.874 -2.403 -1.481
489 HH22 ARG 79 HH22 ARG 79 -19.329 -3.900 -0.729
490 H MET 80 HN MET 80 -12.198 -0.391 1.549
491 HA MET 80 HA MET 80 -14.357 -0.442 3.443
492 HB2 MET 80 HB2 MET 80 -11.394 -0.919 3.735
493 HB3 MET 80 HB1 MET 80 -12.516 -1.007 5.088
494 HG2 MET 80 HG2 MET 80 -13.780 -2.749 3.841
495 HG3 MET 80 HG1 MET 80 -12.515 -2.723 2.616
496 HE1 MET 80 HE1 MET 80 -9.874 -2.365 4.310
497 HE2 MET 80 HE2 MET 80 -10.051 -3.538 3.005
498 HE3 MET 80 HE3 MET 80 -9.414 -4.048 4.569
499 H GLY 81 HN GLY 81 -13.451 2.109 2.168
500 HA2 GLY 81 HA2 GLY 81 -14.233 4.154 3.197
501 HA3 GLY 81 HA1 GLY 81 -13.372 3.677 4.653
502 H GLY 82 HN GLY 82 -10.935 2.872 3.437
503 HA2 GLY 82 HA2 GLY 82 -8.929 3.772 2.755
504 HA3 GLY 82 HA1 GLY 82 -9.865 4.833 1.715
505 H CYS 83 HN CYS 83 -8.189 4.516 4.730
506 HA CYS 83 HA CYS 83 -7.452 5.998 6.263
507 HB2 CYS 83 HB2 CYS 83 -6.813 7.284 4.199
508 HB3 CYS 83 HB1 CYS 83 -8.324 8.170 4.352
509 HG CYS 83 HG CYS 83 -5.833 8.172 6.717
510 H VAL 84 HN VAL 84 -10.341 5.168 6.049
511 HA VAL 84 HA VAL 84 -11.559 7.303 7.654
512 HB VAL 84 HB VAL 84 -12.827 4.852 6.411
513 HG11 VAL 84 HG11 VAL 84 -14.966 5.834 7.098
514 HG12 VAL 84 HG12 VAL 84 -14.098 7.112 7.950
515 HG13 VAL 84 HG13 VAL 84 -13.951 5.438 8.484
516 HG21 VAL 84 HG21 VAL 84 -13.945 6.426 4.931
517 HG22 VAL 84 HG22 VAL 84 -12.193 6.570 4.786
518 HG23 VAL 84 HG23 VAL 84 -13.104 7.770 5.706
Start of MODEL 8
1 H1 MET 16 HT1 MET 16 -4.908 0.790 10.547
2 H2 MET 16 HT2 MET 16 -5.037 -0.762 11.201
3 H3 MET 16 HT3 MET 16 -6.403 0.227 11.103
4 HA MET 16 HA MET 16 -4.889 -0.946 8.847
5 HB2 MET 16 HB2 MET 16 -6.859 -2.249 8.417
6 HB3 MET 16 HB1 MET 16 -6.416 -2.474 10.100
7 HG2 MET 16 HG2 MET 16 -8.605 -0.675 9.080
8 HG3 MET 16 HG1 MET 16 -8.826 -2.260 9.816
9 HE1 MET 16 HE1 MET 16 -10.244 0.099 12.580
10 HE2 MET 16 HE2 MET 16 -10.547 -1.310 11.564
11 HE3 MET 16 HE3 MET 16 -10.404 0.288 10.835
12 H SER 17 HN SER 17 -6.853 1.686 9.894
13 HA SER 17 HA SER 17 -8.355 2.034 7.511
14 HB2 SER 17 HB2 SER 17 -8.777 4.342 8.495
15 HB3 SER 17 HB1 SER 17 -9.243 2.971 9.503
16 HG SER 17 HG SER 17 -7.675 4.937 10.178
17 H ASP 18 HN ASP 18 -5.475 3.729 8.767
18 HA ASP 18 HA ASP 18 -5.278 5.411 6.467
19 HB2 ASP 18 HB2 ASP 18 -3.434 4.838 8.758
20 HB3 ASP 18 HB1 ASP 18 -2.955 5.896 7.436
21 H TYR 19 HN TYR 19 -3.861 2.369 7.425
22 HA TYR 19 HA TYR 19 -1.842 2.058 5.561
23 HB2 TYR 19 HB2 TYR 19 -1.783 0.145 6.769
24 HB3 TYR 19 HB1 TYR 19 -3.478 0.300 7.218
25 HD1 TYR 19 HD1 TYR 19 -5.125 -1.107 6.211
26 HD2 TYR 19 HD2 TYR 19 -1.223 -0.876 4.523
27 HE1 TYR 19 HE1 TYR 19 -5.635 -3.020 4.777
28 HE2 TYR 19 HE2 TYR 19 -1.736 -2.790 3.077
29 HH TYR 19 HH TYR 19 -3.248 -4.711 3.069
30 H LEU 20 HN LEU 20 -5.310 1.852 5.139
31 HA LEU 20 HA LEU 20 -5.500 0.225 2.944
32 HB2 LEU 20 HB2 LEU 20 -7.200 2.642 3.539
33 HB3 LEU 20 HB1 LEU 20 -7.632 1.335 2.448
34 HG LEU 20 HG LEU 20 -7.158 0.988 5.412
35 HD11 LEU 20 HD11 LEU 20 -9.114 2.379 4.994
36 HD12 LEU 20 HD12 LEU 20 -9.573 0.789 5.604
37 HD13 LEU 20 HD13 LEU 20 -9.749 1.159 3.889
38 HD21 LEU 20 HD21 LEU 20 -8.236 -1.184 5.065
39 HD22 LEU 20 HD22 LEU 20 -6.749 -1.035 4.129
40 HD23 LEU 20 HD23 LEU 20 -8.313 -0.865 3.332
41 H LYS 21 HN LYS 21 -5.221 3.791 2.856
42 HA LYS 21 HA LYS 21 -5.158 3.714 -0.021
43 HB2 LYS 21 HB2 LYS 21 -4.787 6.005 1.901
44 HB3 LYS 21 HB1 LYS 21 -4.826 6.169 0.151
45 HG2 LYS 21 HG2 LYS 21 -7.115 5.296 0.115
46 HG3 LYS 21 HG1 LYS 21 -7.071 5.128 1.873
47 HD2 LYS 21 HD2 LYS 21 -8.215 7.168 1.345
48 HD3 LYS 21 HD1 LYS 21 -6.648 7.576 2.041
49 HE2 LYS 21 HE2 LYS 21 -6.961 9.024 0.196
50 HE3 LYS 21 HE1 LYS 21 -5.787 7.813 -0.319
51 HZ1 LYS 21 HZ1 LYS 21 -7.427 8.209 -2.031
52 HZ2 LYS 21 HZ2 LYS 21 -8.684 7.821 -0.970
53 HZ3 LYS 21 HZ3 LYS 21 -7.581 6.632 -1.443
54 H VAL 22 HN VAL 22 -2.819 3.354 2.393
55 HA VAL 22 HA VAL 22 -0.590 4.715 1.480
56 HB VAL 22 HB VAL 22 -0.863 2.054 2.866
57 HG11 VAL 22 HG11 VAL 22 1.193 1.948 1.539
58 HG12 VAL 22 HG12 VAL 22 1.534 2.031 3.267
59 HG13 VAL 22 HG13 VAL 22 1.731 3.467 2.259
60 HG21 VAL 22 HG21 VAL 22 0.085 3.322 4.758
61 HG22 VAL 22 HG22 VAL 22 -1.431 4.008 4.170
62 HG23 VAL 22 HG23 VAL 22 0.104 4.768 3.749
63 H LEU 23 HN LEU 23 -1.269 1.278 0.704
64 HA LEU 23 HA LEU 23 0.769 1.266 -1.262
65 HB2 LEU 23 HB2 LEU 23 -0.748 -0.941 -1.860
66 HB3 LEU 23 HB1 LEU 23 0.663 -0.884 -0.833
67 HG LEU 23 HG LEU 23 -0.781 -0.667 1.144
68 HD11 LEU 23 HD11 LEU 23 -2.711 0.430 0.208
69 HD12 LEU 23 HD12 LEU 23 -3.200 -1.121 0.888
70 HD13 LEU 23 HD13 LEU 23 -3.018 -0.940 -0.856
71 HD21 LEU 23 HD21 LEU 23 -1.341 -2.966 -0.719
72 HD22 LEU 23 HD22 LEU 23 -1.749 -2.955 0.994
73 HD23 LEU 23 HD23 LEU 23 -0.063 -2.852 0.490
74 H GLN 24 HN GLN 24 -2.762 1.445 -1.539
75 HA GLN 24 HA GLN 24 -2.658 0.962 -4.349
76 HB2 GLN 24 HB2 GLN 24 -5.069 1.369 -4.317
77 HB3 GLN 24 HB1 GLN 24 -4.561 0.200 -3.112
78 HG2 GLN 24 HG2 GLN 24 -4.577 2.147 -1.473
79 HG3 GLN 24 HG1 GLN 24 -5.434 3.006 -2.736
80 HE21 GLN 24 HE21 GLN 24 -6.266 2.154 -0.070
81 HE22 GLN 24 HE22 GLN 24 -7.703 1.234 -0.326
82 H ALA 25 HN ALA 25 -2.765 3.849 -2.388
83 HA ALA 25 HA ALA 25 -3.779 5.640 -4.254
84 HB1 ALA 25 HB1 ALA 25 -2.631 7.400 -3.009
85 HB2 ALA 25 HB2 ALA 25 -1.703 6.175 -2.146
86 HB3 ALA 25 HB3 ALA 25 -3.455 6.262 -1.941
87 H ILE 26 HN ILE 26 -0.369 4.633 -3.801
88 HA ILE 26 HA ILE 26 0.832 6.439 -5.471
89 HB ILE 26 HB ILE 26 2.170 4.884 -4.182
90 HG12 ILE 26 HG12 ILE 26 2.691 4.558 -7.136
91 HG13 ILE 26 HG11 ILE 26 3.159 5.953 -6.171
92 HG21 ILE 26 HG21 ILE 26 2.500 2.552 -4.888
93 HG22 ILE 26 HG22 ILE 26 1.209 2.750 -6.074
94 HG23 ILE 26 HG23 ILE 26 0.850 2.870 -4.351
95 HD11 ILE 26 HD11 ILE 26 5.023 4.440 -6.567
96 HD12 ILE 26 HD12 ILE 26 4.138 3.142 -5.766
97 HD13 ILE 26 HD13 ILE 26 4.638 4.565 -4.852
98 H LYS 27 HN LYS 27 -0.739 3.394 -6.486
99 HA LYS 27 HA LYS 27 -0.020 3.815 -9.226
100 HB2 LYS 27 HB2 LYS 27 -0.824 1.726 -9.614
101 HB3 LYS 27 HB1 LYS 27 -0.606 1.594 -7.881
102 HG2 LYS 27 HG2 LYS 27 -2.952 1.973 -7.502
103 HG3 LYS 27 HG1 LYS 27 -3.213 2.285 -9.221
104 HD2 LYS 27 HD2 LYS 27 -2.190 -0.105 -9.509
105 HD3 LYS 27 HD1 LYS 27 -2.656 -0.293 -7.817
106 HE2 LYS 27 HE2 LYS 27 -4.427 -1.119 -9.213
107 HE3 LYS 27 HE1 LYS 27 -4.959 0.359 -8.418
108 HZ1 LYS 27 HZ1 LYS 27 -4.578 1.579 -10.431
109 HZ2 LYS 27 HZ2 LYS 27 -5.564 0.253 -10.781
110 HZ3 LYS 27 HZ3 LYS 27 -3.927 0.220 -11.197
111 H SER 28 HN SER 28 -2.625 4.803 -7.196
112 HA SER 28 HA SER 28 -4.472 5.099 -9.436
113 HB2 SER 28 HB2 SER 28 -5.332 4.014 -7.442
114 HB3 SER 28 HB1 SER 28 -4.864 5.393 -6.451
115 HG SER 28 HG SER 28 -6.855 5.298 -8.471
116 H CYS 29 HN CYS 29 -3.046 7.124 -6.866
117 HA CYS 29 HA CYS 29 -3.794 9.511 -8.376
118 HB2 CYS 29 HB2 CYS 29 -4.627 9.028 -5.509
119 HB3 CYS 29 HB1 CYS 29 -4.866 10.520 -6.408
120 HG CYS 29 HG CYS 29 -6.238 7.595 -7.508
121 HA PRO 30 HA PRO 30 0.213 10.779 -6.848
122 HB2 PRO 30 HB2 PRO 30 -0.595 13.524 -7.467
123 HB3 PRO 30 HB1 PRO 30 0.675 12.543 -8.197
124 HG2 PRO 30 HG2 PRO 30 -1.587 13.185 -9.518
125 HG3 PRO 30 HG1 PRO 30 -0.738 11.651 -9.777
126 HD2 PRO 30 HD2 PRO 30 -3.195 12.207 -8.159
127 HD3 PRO 30 HD1 PRO 30 -2.831 10.837 -9.230
128 H LYS 31 HN LYS 31 -1.516 10.339 -4.800
129 HA LYS 31 HA LYS 31 -0.663 12.327 -2.894
130 HB2 LYS 31 HB2 LYS 31 -2.867 13.202 -3.728
131 HB3 LYS 31 HB1 LYS 31 -3.617 11.714 -3.162
132 HG2 LYS 31 HG2 LYS 31 -2.899 12.241 -0.876
133 HG3 LYS 31 HG1 LYS 31 -2.204 13.752 -1.458
134 HD2 LYS 31 HD2 LYS 31 -4.430 14.454 -2.230
135 HD3 LYS 31 HD1 LYS 31 -5.109 12.959 -1.587
136 HE2 LYS 31 HE2 LYS 31 -3.719 15.111 0.001
137 HE3 LYS 31 HE1 LYS 31 -5.454 14.815 -0.044
138 HZ1 LYS 31 HZ1 LYS 31 -4.416 13.866 1.928
139 HZ2 LYS 31 HZ2 LYS 31 -3.411 12.911 0.961
140 HZ3 LYS 31 HZ3 LYS 31 -5.082 12.654 0.952
141 H THR 32 HN THR 32 0.268 11.042 -1.454
142 HA THR 32 HA THR 32 0.699 9.293 -0.058
143 HB THR 32 HB THR 32 -1.993 8.131 -0.814
144 HG1 THR 32 HG1 THR 32 -1.268 10.207 0.875
145 HG21 THR 32 HG21 THR 32 -1.775 6.899 1.292
146 HG22 THR 32 HG22 THR 32 -0.186 7.621 1.555
147 HG23 THR 32 HG23 THR 32 -0.443 6.521 0.199
148 H PHE 33 HN PHE 33 1.817 7.373 -0.369
149 HA PHE 33 HA PHE 33 1.625 6.044 -2.923
150 HB2 PHE 33 HB2 PHE 33 3.904 6.540 -3.607
151 HB3 PHE 33 HB1 PHE 33 3.000 8.037 -3.420
152 HD1 PHE 33 HD1 PHE 33 6.003 6.401 -2.668
153 HD2 PHE 33 HD2 PHE 33 3.193 9.148 -1.040
154 HE1 PHE 33 HE1 PHE 33 7.731 7.254 -1.138
155 HE2 PHE 33 HE2 PHE 33 4.918 10.013 0.486
156 HZ PHE 33 HZ PHE 33 7.186 9.064 0.440
157 H GLN 34 HN GLN 34 3.660 4.464 -3.058
158 HA GLN 34 HA GLN 34 3.769 3.183 -0.418
159 HB2 GLN 34 HB2 GLN 34 2.201 2.098 -1.941
160 HB3 GLN 34 HB1 GLN 34 3.493 1.854 -3.101
161 HG2 GLN 34 HG2 GLN 34 4.653 0.403 -1.564
162 HG3 GLN 34 HG1 GLN 34 3.428 0.699 -0.330
163 HE21 GLN 34 HE21 GLN 34 3.047 -1.542 -0.239
164 HE22 GLN 34 HE22 GLN 34 2.110 -2.338 -1.450
165 H SER 35 HN SER 35 5.515 3.621 -3.477
166 HA SER 35 HA SER 35 7.438 1.762 -3.447
167 HB2 SER 35 HB2 SER 35 7.725 4.665 -4.169
168 HB3 SER 35 HB1 SER 35 8.944 3.451 -4.552
169 HG SER 35 HG SER 35 7.152 2.297 -5.618
170 H ASN 36 HN ASN 36 8.491 4.968 -2.246
171 HA ASN 36 HA ASN 36 10.511 3.620 -0.641
172 HB2 ASN 36 HB2 ASN 36 9.956 6.549 -1.152
173 HB3 ASN 36 HB1 ASN 36 11.230 5.977 -0.083
174 HD21 ASN 36 HD21 ASN 36 11.379 7.538 -2.548
175 HD22 ASN 36 HD22 ASN 36 12.417 6.647 -3.608
176 H TYR 37 HN TYR 37 7.397 4.483 -0.328
177 HA TYR 37 HA TYR 37 7.290 5.586 2.286
178 HB2 TYR 37 HB2 TYR 37 5.558 5.697 0.396
179 HB3 TYR 37 HB1 TYR 37 5.089 4.079 0.897
180 HD1 TYR 37 HD1 TYR 37 3.836 3.708 2.904
181 HD2 TYR 37 HD2 TYR 37 5.158 7.617 1.883
182 HE1 TYR 37 HE1 TYR 37 2.320 4.656 4.592
183 HE2 TYR 37 HE2 TYR 37 3.651 8.576 3.572
184 HH TYR 37 HH TYR 37 1.561 7.944 4.741
185 H VAL 38 HN VAL 38 7.131 2.326 0.961
186 HA VAL 38 HA VAL 38 6.286 0.918 3.218
187 HB VAL 38 HB VAL 38 8.268 -0.008 1.128
188 HG11 VAL 38 HG11 VAL 38 7.557 -2.274 1.761
189 HG12 VAL 38 HG12 VAL 38 6.581 -1.594 3.061
190 HG13 VAL 38 HG13 VAL 38 8.336 -1.427 3.097
191 HG21 VAL 38 HG21 VAL 38 5.278 -0.365 1.252
192 HG22 VAL 38 HG22 VAL 38 6.354 -1.008 0.015
193 HG23 VAL 38 HG23 VAL 38 6.137 0.732 0.174
194 H ARG 39 HN ARG 39 9.529 1.907 2.241
195 HA ARG 39 HA ARG 39 11.065 0.749 4.202
196 HB2 ARG 39 HB2 ARG 39 11.362 3.537 3.076
197 HB3 ARG 39 HB1 ARG 39 12.585 2.721 4.038
198 HG2 ARG 39 HG2 ARG 39 12.520 0.895 2.264
199 HG3 ARG 39 HG1 ARG 39 11.625 2.052 1.280
200 HD2 ARG 39 HD2 ARG 39 14.403 2.415 2.424
201 HD3 ARG 39 HD1 ARG 39 13.979 2.154 0.733
202 HE ARG 39 HE ARG 39 13.032 4.547 2.161
203 HH11 ARG 39 HH11 ARG 39 14.732 3.061 -0.517
204 HH12 ARG 39 HH12 ARG 39 15.080 4.569 -1.297
205 HH21 ARG 39 HH21 ARG 39 13.497 6.531 1.141
206 HH22 ARG 39 HH22 ARG 39 14.385 6.542 -0.353
207 H ASN 40 HN ASN 40 9.054 3.645 4.509
208 HA ASN 40 HA ASN 40 9.955 4.049 7.239
209 HB2 ASN 40 HB2 ASN 40 9.419 5.934 5.583
210 HB3 ASN 40 HB1 ASN 40 7.726 5.561 5.894
211 HD21 ASN 40 HD21 ASN 40 6.864 5.961 7.956
212 HD22 ASN 40 HD22 ASN 40 7.661 7.010 9.081
213 H ASN 41 HN ASN 41 6.870 3.298 5.599
214 HA ASN 41 HA ASN 41 5.720 2.674 8.241
215 HB2 ASN 41 HB2 ASN 41 4.293 3.305 5.645
216 HB3 ASN 41 HB1 ASN 41 3.509 2.941 7.175
217 HD21 ASN 41 HD21 ASN 41 2.467 4.877 7.357
218 HD22 ASN 41 HD22 ASN 41 3.279 6.374 7.626
219 H ALA 42 HN ALA 42 7.274 0.682 7.443
220 HA ALA 42 HA ALA 42 6.262 -1.174 5.613
221 HB1 ALA 42 HB1 ALA 42 7.968 -1.722 8.037
222 HB2 ALA 42 HB2 ALA 42 8.560 -1.212 6.456
223 HB3 ALA 42 HB3 ALA 42 7.770 -2.778 6.638
224 H SER 43 HN SER 43 5.579 -0.744 9.048
225 HA SER 43 HA SER 43 4.290 -3.244 9.400
226 HB2 SER 43 HB2 SER 43 3.966 -0.719 11.031
227 HB3 SER 43 HB1 SER 43 3.537 -2.354 11.535
228 HG SER 43 HG SER 43 5.544 -1.925 12.371
229 H LEU 44 HN LEU 44 3.170 -0.111 8.282
230 HA LEU 44 HA LEU 44 0.391 -0.736 8.406
231 HB2 LEU 44 HB2 LEU 44 1.928 1.232 6.716
232 HB3 LEU 44 HB1 LEU 44 0.188 1.065 6.637
233 HG LEU 44 HG LEU 44 1.799 1.978 9.020
234 HD11 LEU 44 HD11 LEU 44 1.475 3.590 7.151
235 HD12 LEU 44 HD12 LEU 44 0.734 4.092 8.669
236 HD13 LEU 44 HD13 LEU 44 -0.266 3.430 7.377
237 HD21 LEU 44 HD21 LEU 44 -0.074 0.643 9.782
238 HD22 LEU 44 HD22 LEU 44 -1.170 1.543 8.737
239 HD23 LEU 44 HD23 LEU 44 -0.385 2.350 10.093
240 H VAL 45 HN VAL 45 2.827 -0.876 5.859
241 HA VAL 45 HA VAL 45 1.195 -1.839 3.792
242 HB VAL 45 HB VAL 45 4.133 -2.424 4.178
243 HG11 VAL 45 HG11 VAL 45 4.208 -2.470 1.741
244 HG12 VAL 45 HG12 VAL 45 2.462 -2.219 1.684
245 HG13 VAL 45 HG13 VAL 45 3.118 -3.700 2.382
246 HG21 VAL 45 HG21 VAL 45 2.884 -0.024 2.854
247 HG22 VAL 45 HG22 VAL 45 4.607 -0.361 3.031
248 HG23 VAL 45 HG23 VAL 45 3.624 -0.024 4.453
249 H ALA 46 HN ALA 46 2.817 -3.477 6.431
250 HA ALA 46 HA ALA 46 2.700 -6.118 5.521
251 HB1 ALA 46 HB1 ALA 46 4.009 -5.448 7.454
252 HB2 ALA 46 HB2 ALA 46 2.897 -6.748 7.882
253 HB3 ALA 46 HB3 ALA 46 2.533 -5.087 8.351
254 H GLU 47 HN GLU 47 0.198 -4.071 6.806
255 HA GLU 47 HA GLU 47 -1.711 -5.977 7.568
256 HB2 GLU 47 HB2 GLU 47 -1.955 -3.184 6.481
257 HB3 GLU 47 HB1 GLU 47 -3.369 -4.139 6.898
258 HG2 GLU 47 HG2 GLU 47 -1.146 -3.499 8.816
259 HG3 GLU 47 HG1 GLU 47 -2.634 -2.564 8.667
260 H ALA 48 HN ALA 48 -0.647 -4.910 4.469
261 HA ALA 48 HA ALA 48 -2.868 -5.439 2.864
262 HB1 ALA 48 HB1 ALA 48 -1.352 -5.360 1.037
263 HB2 ALA 48 HB2 ALA 48 0.010 -5.777 2.078
264 HB3 ALA 48 HB3 ALA 48 -0.783 -4.208 2.251
265 H ALA 49 HN ALA 49 -0.481 -7.611 4.206
266 HA ALA 49 HA ALA 49 -0.927 -9.819 2.540
267 HB1 ALA 49 HB1 ALA 49 -0.152 -9.787 5.455
268 HB2 ALA 49 HB2 ALA 49 0.956 -9.690 4.087
269 HB3 ALA 49 HB3 ALA 49 0.015 -11.157 4.359
270 H SER 50 HN SER 50 -2.634 -8.607 5.363
271 HA SER 50 HA SER 50 -4.369 -10.850 5.654
272 HB2 SER 50 HB2 SER 50 -4.813 -8.005 6.585
273 HB3 SER 50 HB1 SER 50 -5.601 -9.455 7.204
274 HG SER 50 HG SER 50 -2.968 -9.811 7.345
275 H ARG 51 HN ARG 51 -4.370 -7.977 3.685
276 HA ARG 51 HA ARG 51 -7.127 -8.376 2.863
277 HB2 ARG 51 HB2 ARG 51 -5.032 -6.327 2.213
278 HB3 ARG 51 HB1 ARG 51 -6.479 -6.460 1.229
279 HG2 ARG 51 HG2 ARG 51 -6.944 -4.787 2.813
280 HG3 ARG 51 HG1 ARG 51 -7.797 -6.220 3.390
281 HD2 ARG 51 HD2 ARG 51 -5.717 -6.671 4.802
282 HD3 ARG 51 HD1 ARG 51 -5.244 -5.019 4.405
283 HE ARG 51 HE ARG 51 -7.851 -4.955 5.404
284 HH11 ARG 51 HH11 ARG 51 -4.623 -5.722 6.510
285 HH12 ARG 51 HH12 ARG 51 -4.922 -5.239 8.157
286 HH21 ARG 51 HH21 ARG 51 -8.275 -4.361 7.578
287 HH22 ARG 51 HH22 ARG 51 -7.012 -4.499 8.761
288 H GLY 52 HN GLY 52 -4.172 -9.670 2.090
289 HA2 GLY 52 HA2 GLY 52 -3.926 -11.567 0.801
290 HA3 GLY 52 HA1 GLY 52 -5.509 -11.268 0.108
291 H HIS 53 HN HIS 53 -2.968 -8.822 0.086
292 HA HIS 53 HA HIS 53 -2.176 -9.547 -2.588
293 HB2 HIS 53 HB2 HIS 53 -3.045 -7.653 -3.725
294 HB3 HIS 53 HB1 HIS 53 -4.371 -8.337 -2.792
295 HD1 HIS 53 HD1 HIS 53 -5.308 -6.948 -0.844
296 HD2 HIS 53 HD2 HIS 53 -2.211 -5.101 -2.915
297 HE1 HIS 53 HE1 HIS 53 -5.311 -4.555 -0.066
298 HE2 HIS 53 HE2 HIS 53 -3.332 -3.502 -1.212
299 H ILE 54 HN ILE 54 -0.111 -9.114 -2.802
300 HA ILE 54 HA ILE 54 0.977 -6.549 -2.253
301 HB ILE 54 HB ILE 54 2.956 -7.791 -0.933
302 HG12 ILE 54 HG12 ILE 54 0.439 -9.085 0.135
303 HG13 ILE 54 HG11 ILE 54 1.732 -9.914 -0.730
304 HG21 ILE 54 HG21 ILE 54 2.019 -5.689 -0.283
305 HG22 ILE 54 HG22 ILE 54 2.081 -6.750 1.124
306 HG23 ILE 54 HG23 ILE 54 0.550 -6.475 0.293
307 HD11 ILE 54 HD11 ILE 54 1.953 -10.297 1.631
308 HD12 ILE 54 HD12 ILE 54 1.935 -8.561 1.949
309 HD13 ILE 54 HD13 ILE 54 3.287 -9.283 1.074
310 H SER 55 HN SER 55 3.267 -6.447 -2.922
311 HA SER 55 HA SER 55 4.235 -8.662 -4.517
312 HB2 SER 55 HB2 SER 55 2.633 -7.203 -5.931
313 HB3 SER 55 HB1 SER 55 3.895 -5.974 -5.843
314 HG SER 55 HG SER 55 5.097 -7.084 -7.184
315 H CYS 56 HN CYS 56 6.492 -8.638 -4.535
316 HA CYS 56 HA CYS 56 7.648 -6.633 -2.781
317 HB2 CYS 56 HB2 CYS 56 8.160 -9.039 -2.457
318 HB3 CYS 56 HB1 CYS 56 8.953 -9.059 -4.028
319 HG CYS 56 HG CYS 56 10.977 -9.045 -2.172
320 H ALA 57 HN ALA 57 9.104 -5.111 -3.332
321 HA ALA 57 HA ALA 57 9.965 -5.006 -6.149
322 HB1 ALA 57 HB1 ALA 57 9.693 -2.580 -6.121
323 HB2 ALA 57 HB2 ALA 57 9.068 -2.664 -4.476
324 HB3 ALA 57 HB3 ALA 57 8.160 -3.395 -5.802
325 H THR 58 HN THR 58 11.085 -5.495 -3.184
326 HA THR 58 HA THR 58 13.059 -5.178 -2.081
327 HB THR 58 HB THR 58 13.984 -3.798 -4.617
328 HG1 THR 58 HG1 THR 58 14.891 -5.869 -5.083
329 HG21 THR 58 HG21 THR 58 16.249 -4.432 -3.803
330 HG22 THR 58 HG22 THR 58 15.518 -4.935 -2.279
331 HG23 THR 58 HG23 THR 58 15.440 -3.247 -2.782
332 H THR 59 HN THR 59 13.852 -3.595 -0.642
333 HA THR 59 HA THR 59 12.138 -1.340 -0.391
334 HB THR 59 HB THR 59 13.724 -0.681 1.495
335 HG1 THR 59 HG1 THR 59 14.840 -2.947 1.997
336 HG21 THR 59 HG21 THR 59 11.623 -1.831 1.918
337 HG22 THR 59 HG22 THR 59 12.883 -2.466 2.974
338 HG23 THR 59 HG23 THR 59 12.377 -3.384 1.557
339 H SER 60 HN SER 60 14.973 -1.848 -2.077
340 HA SER 60 HA SER 60 16.161 -0.560 -3.490
341 HB2 SER 60 HB2 SER 60 13.848 -0.146 -4.322
342 HB3 SER 60 HB1 SER 60 13.763 1.278 -3.283
343 HG SER 60 HG SER 60 15.695 2.008 -4.455
344 H GLY 61 HN GLY 61 16.709 -0.274 -0.732
345 HA2 GLY 61 HA2 GLY 61 18.547 1.657 -0.542
346 HA3 GLY 61 HA1 GLY 61 17.075 2.558 -0.221
347 H ARG 62 HN ARG 62 15.849 0.168 1.173
348 HA ARG 62 HA ARG 62 17.038 0.896 3.723
349 HB2 ARG 62 HB2 ARG 62 14.485 0.826 3.225
350 HB3 ARG 62 HB1 ARG 62 14.651 -0.893 3.528
351 HG2 ARG 62 HG2 ARG 62 15.591 -0.407 5.740
352 HG3 ARG 62 HG1 ARG 62 15.386 1.315 5.438
353 HD2 ARG 62 HD2 ARG 62 13.542 0.687 6.751
354 HD3 ARG 62 HD1 ARG 62 12.922 0.815 5.108
355 HE ARG 62 HE ARG 62 13.598 -1.811 5.360
356 HH11 ARG 62 HH11 ARG 62 11.520 0.379 7.143
357 HH12 ARG 62 HH12 ARG 62 10.483 -0.884 7.726
358 HH21 ARG 62 HH21 ARG 62 12.208 -3.470 6.103
359 HH22 ARG 62 HH22 ARG 62 10.865 -3.066 7.124
360 H ASN 63 HN ASN 63 17.447 -1.527 1.524
361 HA ASN 63 HA ASN 63 18.500 -3.534 1.515
362 HB2 ASN 63 HB2 ASN 63 20.089 -2.606 3.142
363 HB3 ASN 63 HB1 ASN 63 18.998 -3.024 4.460
364 HD21 ASN 63 HD21 ASN 63 20.438 -4.379 5.473
365 HD22 ASN 63 HD22 ASN 63 20.901 -5.911 4.817
366 H GLY 64 HN GLY 64 16.480 -4.465 1.025
367 HA2 GLY 64 HA2 GLY 64 15.669 -6.692 2.283
368 HA3 GLY 64 HA1 GLY 64 14.803 -5.451 3.177
369 H GLY 65 HN GLY 65 12.871 -6.566 2.369
370 HA2 GLY 65 HA2 GLY 65 12.370 -6.073 -0.491
371 HA3 GLY 65 HA1 GLY 65 11.565 -7.297 0.474
372 H ALA 66 HN ALA 66 11.342 -4.206 -0.816
373 HA ALA 66 HA ALA 66 9.221 -3.363 1.006
374 HB1 ALA 66 HB1 ALA 66 10.548 -2.036 -1.342
375 HB2 ALA 66 HB2 ALA 66 10.500 -1.512 0.345
376 HB3 ALA 66 HB3 ALA 66 9.051 -1.420 -0.649
377 H TRP 67 HN TRP 67 7.244 -2.437 -0.267
378 HA TRP 67 HA TRP 67 6.413 -4.651 -2.022
379 HB2 TRP 67 HB2 TRP 67 4.737 -3.275 0.078
380 HB3 TRP 67 HB1 TRP 67 4.201 -4.570 -0.985
381 HD1 TRP 67 HD1 TRP 67 6.089 -3.952 2.235
382 HE1 TRP 67 HE1 TRP 67 6.715 -6.205 3.312
383 HE3 TRP 67 HE3 TRP 67 4.837 -7.068 -1.618
384 HZ2 TRP 67 HZ2 TRP 67 6.681 -8.943 2.609
385 HZ3 TRP 67 HZ3 TRP 67 5.169 -9.484 -1.341
386 HH2 TRP 67 HH2 TRP 67 6.067 -10.400 0.726
387 H GLU 68 HN GLU 68 5.064 -4.241 -3.671
388 HA GLU 68 HA GLU 68 4.020 -1.513 -3.979
389 HB2 GLU 68 HB2 GLU 68 4.253 -1.642 -6.355
390 HB3 GLU 68 HB1 GLU 68 5.810 -2.081 -5.673
391 HG2 GLU 68 HG2 GLU 68 5.430 -4.391 -6.110
392 HG3 GLU 68 HG1 GLU 68 3.757 -4.076 -6.574
393 H ILE 69 HN ILE 69 1.984 -1.640 -5.457
394 HA ILE 69 HA ILE 69 0.417 -3.815 -4.285
395 HB ILE 69 HB ILE 69 -0.257 -1.510 -3.709
396 HG12 ILE 69 HG12 ILE 69 -2.258 -3.057 -5.373
397 HG13 ILE 69 HG11 ILE 69 -1.866 -3.370 -3.688
398 HG21 ILE 69 HG21 ILE 69 0.349 -0.401 -5.786
399 HG22 ILE 69 HG22 ILE 69 -1.346 -0.109 -5.402
400 HG23 ILE 69 HG23 ILE 69 -0.912 -1.284 -6.644
401 HD11 ILE 69 HD11 ILE 69 -2.719 -1.136 -3.116
402 HD12 ILE 69 HD12 ILE 69 -3.938 -2.194 -3.828
403 HD13 ILE 69 HD13 ILE 69 -3.196 -0.924 -4.801
404 H THR 70 HN THR 70 -0.871 -5.123 -5.448
405 HA THR 70 HA THR 70 -0.513 -5.255 -8.300
406 HB THR 70 HB THR 70 -2.056 -7.234 -8.084
407 HG1 THR 70 HG1 THR 70 -2.854 -7.774 -6.124
408 HG21 THR 70 HG21 THR 70 -0.452 -8.654 -6.915
409 HG22 THR 70 HG22 THR 70 0.298 -7.236 -6.183
410 HG23 THR 70 HG23 THR 70 0.397 -7.485 -7.927
411 H ALA 71 HN ALA 71 -2.440 -5.323 -9.767
412 HA ALA 71 HA ALA 71 -3.782 -2.901 -9.649
413 HB1 ALA 71 HB1 ALA 71 -4.588 -5.353 -11.202
414 HB2 ALA 71 HB2 ALA 71 -3.422 -4.137 -11.720
415 HB3 ALA 71 HB3 ALA 71 -5.120 -3.703 -11.521
416 H SER 72 HN SER 72 -4.931 -6.110 -8.735
417 HA SER 72 HA SER 72 -7.630 -5.469 -8.367
418 HB2 SER 72 HB2 SER 72 -7.649 -7.566 -6.966
419 HB3 SER 72 HB1 SER 72 -6.970 -7.759 -8.580
420 HG SER 72 HG SER 72 -5.071 -8.159 -7.744
421 H GLY 73 HN GLY 73 -4.882 -4.888 -6.332
422 HA2 GLY 73 HA2 GLY 73 -6.066 -5.073 -3.802
423 HA3 GLY 73 HA1 GLY 73 -4.647 -4.115 -4.191
424 H THR 74 HN THR 74 -5.699 -2.267 -5.925
425 HA THR 74 HA THR 74 -6.584 -0.271 -4.176
426 HB THR 74 HB THR 74 -6.842 -0.382 -7.193
427 HG1 THR 74 HG1 THR 74 -4.723 0.000 -5.433
428 HG21 THR 74 HG21 THR 74 -6.753 2.065 -7.069
429 HG22 THR 74 HG22 THR 74 -6.730 1.981 -5.308
430 HG23 THR 74 HG23 THR 74 -8.153 1.441 -6.198
431 H ARG 75 HN ARG 75 -8.437 -2.657 -5.950
432 HA ARG 75 HA ARG 75 -10.839 -1.098 -6.074
433 HB2 ARG 75 HB2 ARG 75 -10.505 -4.077 -6.421
434 HB3 ARG 75 HB1 ARG 75 -11.856 -3.096 -6.976
435 HG2 ARG 75 HG2 ARG 75 -10.496 -1.994 -8.584
436 HG3 ARG 75 HG1 ARG 75 -9.030 -2.725 -7.927
437 HD2 ARG 75 HD2 ARG 75 -9.950 -4.953 -8.542
438 HD3 ARG 75 HD1 ARG 75 -11.294 -4.129 -9.334
439 HE ARG 75 HE ARG 75 -9.377 -2.992 -10.642
440 HH11 ARG 75 HH11 ARG 75 -9.474 -6.330 -9.591
441 HH12 ARG 75 HH12 ARG 75 -8.398 -6.883 -10.837
442 HH21 ARG 75 HH21 ARG 75 -7.969 -3.724 -12.289
443 HH22 ARG 75 HH22 ARG 75 -7.557 -5.408 -12.373
444 H PHE 76 HN PHE 76 -10.063 -4.109 -4.275
445 HA PHE 76 HA PHE 76 -12.448 -3.813 -2.717
446 HB2 PHE 76 HB2 PHE 76 -11.406 -5.798 -1.411
447 HB3 PHE 76 HB1 PHE 76 -12.045 -6.028 -3.021
448 HD1 PHE 76 HD1 PHE 76 -8.850 -5.431 -1.208
449 HD2 PHE 76 HD2 PHE 76 -10.777 -7.054 -4.636
450 HE1 PHE 76 HE1 PHE 76 -6.740 -6.492 -1.891
451 HE2 PHE 76 HE2 PHE 76 -8.671 -8.111 -5.327
452 HZ PHE 76 HZ PHE 76 -6.646 -7.832 -3.957
453 H LEU 77 HN LEU 77 -9.044 -3.348 -2.064
454 HA LEU 77 HA LEU 77 -9.327 -3.315 0.741
455 HB2 LEU 77 HB2 LEU 77 -7.134 -3.514 0.618
456 HB3 LEU 77 HB1 LEU 77 -7.247 -3.288 -1.111
457 HG LEU 77 HG LEU 77 -7.281 -0.703 -0.125
458 HD11 LEU 77 HD11 LEU 77 -6.663 -1.442 2.074
459 HD12 LEU 77 HD12 LEU 77 -5.286 -0.639 1.314
460 HD13 LEU 77 HD13 LEU 77 -5.334 -2.398 1.418
461 HD21 LEU 77 HD21 LEU 77 -5.207 -0.480 -1.233
462 HD22 LEU 77 HD22 LEU 77 -6.104 -1.718 -2.119
463 HD23 LEU 77 HD23 LEU 77 -4.820 -2.189 -1.004
464 H LYS 78 HN LYS 78 -9.401 -0.674 -1.615
465 HA LYS 78 HA LYS 78 -9.263 1.392 0.336
466 HB2 LYS 78 HB2 LYS 78 -8.765 1.684 -2.119
467 HB3 LYS 78 HB1 LYS 78 -10.507 1.681 -2.394
468 HG2 LYS 78 HG2 LYS 78 -10.763 3.648 -1.006
469 HG3 LYS 78 HG1 LYS 78 -9.043 3.618 -0.600
470 HD2 LYS 78 HD2 LYS 78 -9.418 5.279 -2.292
471 HD3 LYS 78 HD1 LYS 78 -8.520 3.936 -2.995
472 HE2 LYS 78 HE2 LYS 78 -10.502 3.089 -4.054
473 HE3 LYS 78 HE1 LYS 78 -11.507 4.273 -3.222
474 HZ1 LYS 78 HZ1 LYS 78 -10.390 6.030 -4.434
475 HZ2 LYS 78 HZ2 LYS 78 -11.063 4.916 -5.511
476 HZ3 LYS 78 HZ3 LYS 78 -9.402 4.905 -5.219
477 H ARG 79 HN ARG 79 -11.924 -0.520 -0.850
478 HA ARG 79 HA ARG 79 -14.016 1.274 -0.233
479 HB2 ARG 79 HB2 ARG 79 -15.513 -0.506 -0.566
480 HB3 ARG 79 HB1 ARG 79 -14.161 -0.861 -1.631
481 HG2 ARG 79 HG2 ARG 79 -13.277 -2.400 0.102
482 HG3 ARG 79 HG1 ARG 79 -14.745 -2.115 1.039
483 HD2 ARG 79 HD2 ARG 79 -16.106 -3.089 -0.649
484 HD3 ARG 79 HD1 ARG 79 -14.765 -3.131 -1.794
485 HE ARG 79 HE ARG 79 -14.074 -4.633 0.477
486 HH11 ARG 79 HH11 ARG 79 -16.283 -4.757 -2.235
487 HH12 ARG 79 HH12 ARG 79 -16.309 -6.492 -2.296
488 HH21 ARG 79 HH21 ARG 79 -14.081 -6.905 0.389
489 HH22 ARG 79 HH22 ARG 79 -15.048 -7.718 -0.803
490 H MET 80 HN MET 80 -11.930 -0.466 1.779
491 HA MET 80 HA MET 80 -13.711 -0.879 3.984
492 HB2 MET 80 HB2 MET 80 -10.692 -0.912 3.892
493 HB3 MET 80 HB1 MET 80 -11.680 -1.484 5.228
494 HG2 MET 80 HG2 MET 80 -11.621 -2.614 2.445
495 HG3 MET 80 HG1 MET 80 -10.894 -3.333 3.881
496 HE1 MET 80 HE1 MET 80 -14.079 -4.209 6.017
497 HE2 MET 80 HE2 MET 80 -13.151 -2.712 6.081
498 HE3 MET 80 HE3 MET 80 -12.318 -4.261 5.948
499 H GLY 81 HN GLY 81 -13.304 1.883 2.847
500 HA2 GLY 81 HA2 GLY 81 -13.983 3.754 4.246
501 HA3 GLY 81 HA1 GLY 81 -12.822 3.197 5.439
502 H GLY 82 HN GLY 82 -10.679 2.706 3.595
503 HA2 GLY 82 HA2 GLY 82 -8.891 3.809 2.656
504 HA3 GLY 82 HA1 GLY 82 -10.091 4.836 1.891
505 H CYS 83 HN CYS 83 -8.135 4.414 4.813
506 HA CYS 83 HA CYS 83 -7.169 5.890 6.214
507 HB2 CYS 83 HB2 CYS 83 -6.721 7.311 4.242
508 HB3 CYS 83 HB1 CYS 83 -8.292 8.076 4.454
509 HG CYS 83 HG CYS 83 -5.978 8.163 6.960
510 H VAL 84 HN VAL 84 -10.463 6.706 5.247
511 HA VAL 84 HA VAL 84 -12.334 7.189 6.419
512 HB VAL 84 HB VAL 84 -10.894 6.081 8.838
513 HG11 VAL 84 HG11 VAL 84 -13.832 6.335 8.204
514 HG12 VAL 84 HG12 VAL 84 -12.934 7.300 9.374
515 HG13 VAL 84 HG13 VAL 84 -13.153 5.571 9.640
516 HG21 VAL 84 HG21 VAL 84 -11.912 3.930 8.277
517 HG22 VAL 84 HG22 VAL 84 -10.829 4.474 6.995
518 HG23 VAL 84 HG23 VAL 84 -12.575 4.626 6.798
Start of MODEL 9
1 H1 MET 16 HT1 MET 16 -7.719 0.544 10.401
2 H2 MET 16 HT2 MET 16 -6.110 1.056 10.389
3 H3 MET 16 HT3 MET 16 -6.481 -0.547 10.773
4 HA MET 16 HA MET 16 -5.622 -0.453 8.562
5 HB2 MET 16 HB2 MET 16 -7.419 -1.560 7.383
6 HB3 MET 16 HB1 MET 16 -7.427 -2.069 9.063
7 HG2 MET 16 HG2 MET 16 -9.298 -0.642 9.538
8 HG3 MET 16 HG1 MET 16 -9.247 0.031 7.910
9 HE1 MET 16 HE1 MET 16 -11.803 -0.478 7.474
10 HE2 MET 16 HE2 MET 16 -11.906 -1.041 9.142
11 HE3 MET 16 HE3 MET 16 -12.557 -2.031 7.835
12 H SER 17 HN SER 17 -7.752 2.127 9.347
13 HA SER 17 HA SER 17 -8.799 2.883 6.907
14 HB2 SER 17 HB2 SER 17 -7.915 4.724 9.135
15 HB3 SER 17 HB1 SER 17 -9.097 5.097 7.881
16 HG SER 17 HG SER 17 -10.116 4.450 9.808
17 H ASP 18 HN ASP 18 -5.734 4.057 8.343
18 HA ASP 18 HA ASP 18 -5.136 5.659 6.038
19 HB2 ASP 18 HB2 ASP 18 -3.496 4.863 8.445
20 HB3 ASP 18 HB1 ASP 18 -2.862 5.878 7.153
21 H TYR 19 HN TYR 19 -4.212 2.521 7.229
22 HA TYR 19 HA TYR 19 -2.050 1.957 5.565
23 HB2 TYR 19 HB2 TYR 19 -2.104 0.240 7.000
24 HB3 TYR 19 HB1 TYR 19 -3.780 0.556 7.400
25 HD1 TYR 19 HD1 TYR 19 -5.440 -0.943 6.763
26 HD2 TYR 19 HD2 TYR 19 -1.634 -1.186 4.894
27 HE1 TYR 19 HE1 TYR 19 -6.093 -3.070 5.740
28 HE2 TYR 19 HE2 TYR 19 -2.285 -3.309 3.852
29 HH TYR 19 HH TYR 19 -3.996 -5.206 4.516
30 H LEU 20 HN LEU 20 -5.498 1.756 4.944
31 HA LEU 20 HA LEU 20 -5.529 0.020 2.796
32 HB2 LEU 20 HB2 LEU 20 -7.267 2.460 3.135
33 HB3 LEU 20 HB1 LEU 20 -7.632 1.066 2.141
34 HG LEU 20 HG LEU 20 -7.428 1.075 5.157
35 HD11 LEU 20 HD11 LEU 20 -9.806 0.843 3.328
36 HD12 LEU 20 HD12 LEU 20 -9.429 2.187 4.406
37 HD13 LEU 20 HD13 LEU 20 -9.834 0.608 5.075
38 HD21 LEU 20 HD21 LEU 20 -8.190 -1.151 3.279
39 HD22 LEU 20 HD22 LEU 20 -8.260 -1.211 5.040
40 HD23 LEU 20 HD23 LEU 20 -6.704 -1.055 4.224
41 H LYS 21 HN LYS 21 -5.265 3.583 2.637
42 HA LYS 21 HA LYS 21 -4.956 3.408 -0.221
43 HB2 LYS 21 HB2 LYS 21 -5.004 5.736 1.677
44 HB3 LYS 21 HB1 LYS 21 -4.677 5.921 -0.041
45 HG2 LYS 21 HG2 LYS 21 -6.844 4.892 -0.554
46 HG3 LYS 21 HG1 LYS 21 -7.171 4.756 1.175
47 HD2 LYS 21 HD2 LYS 21 -8.286 6.711 0.324
48 HD3 LYS 21 HD1 LYS 21 -6.958 7.219 1.363
49 HE2 LYS 21 HE2 LYS 21 -5.573 7.548 -0.685
50 HE3 LYS 21 HE1 LYS 21 -7.003 7.195 -1.652
51 HZ1 LYS 21 HZ1 LYS 21 -8.111 9.084 -0.599
52 HZ2 LYS 21 HZ2 LYS 21 -6.709 9.564 -1.408
53 HZ3 LYS 21 HZ3 LYS 21 -6.708 9.431 0.277
54 H VAL 22 HN VAL 22 -2.808 3.152 2.333
55 HA VAL 22 HA VAL 22 -0.566 4.576 1.531
56 HB VAL 22 HB VAL 22 -0.882 1.957 2.974
57 HG11 VAL 22 HG11 VAL 22 1.749 3.310 2.379
58 HG12 VAL 22 HG12 VAL 22 1.216 1.758 1.731
59 HG13 VAL 22 HG13 VAL 22 1.507 1.937 3.463
60 HG21 VAL 22 HG21 VAL 22 0.043 4.719 3.744
61 HG22 VAL 22 HG22 VAL 22 0.091 3.322 4.821
62 HG23 VAL 22 HG23 VAL 22 -1.457 3.920 4.218
63 H LEU 23 HN LEU 23 -1.219 1.147 0.690
64 HA LEU 23 HA LEU 23 0.930 1.120 -1.180
65 HB2 LEU 23 HB2 LEU 23 -1.068 -0.963 -1.581
66 HB3 LEU 23 HB1 LEU 23 0.650 -1.090 -1.270
67 HG LEU 23 HG LEU 23 -0.077 -0.484 1.189
68 HD11 LEU 23 HD11 LEU 23 -2.229 -1.494 1.759
69 HD12 LEU 23 HD12 LEU 23 -2.552 -1.788 0.049
70 HD13 LEU 23 HD13 LEU 23 -2.442 -0.134 0.656
71 HD21 LEU 23 HD21 LEU 23 0.039 -2.784 1.682
72 HD22 LEU 23 HD22 LEU 23 1.021 -2.551 0.236
73 HD23 LEU 23 HD23 LEU 23 -0.601 -3.234 0.101
74 H GLN 24 HN GLN 24 -2.596 1.280 -1.571
75 HA GLN 24 HA GLN 24 -2.393 0.934 -4.395
76 HB2 GLN 24 HB2 GLN 24 -4.856 1.408 -4.365
77 HB3 GLN 24 HB1 GLN 24 -4.310 0.019 -3.438
78 HG2 GLN 24 HG2 GLN 24 -4.443 1.310 -1.387
79 HG3 GLN 24 HG1 GLN 24 -4.924 2.704 -2.321
80 HE21 GLN 24 HE21 GLN 24 -6.649 1.629 -4.075
81 HE22 GLN 24 HE22 GLN 24 -8.043 1.039 -3.242
82 H ALA 25 HN ALA 25 -2.556 3.788 -2.371
83 HA ALA 25 HA ALA 25 -3.770 5.505 -4.216
84 HB1 ALA 25 HB1 ALA 25 -1.687 6.269 -2.194
85 HB2 ALA 25 HB2 ALA 25 -3.412 6.086 -1.865
86 HB3 ALA 25 HB3 ALA 25 -2.850 7.344 -2.971
87 H ILE 26 HN ILE 26 -0.307 4.791 -3.784
88 HA ILE 26 HA ILE 26 0.771 6.623 -5.507
89 HB ILE 26 HB ILE 26 2.225 5.262 -4.191
90 HG12 ILE 26 HG12 ILE 26 2.659 4.721 -7.132
91 HG13 ILE 26 HG11 ILE 26 3.220 6.124 -6.231
92 HG21 ILE 26 HG21 ILE 26 2.615 2.873 -4.673
93 HG22 ILE 26 HG22 ILE 26 1.262 2.912 -5.806
94 HG23 ILE 26 HG23 ILE 26 0.983 3.208 -4.088
95 HD11 ILE 26 HD11 ILE 26 4.117 3.284 -5.813
96 HD12 ILE 26 HD12 ILE 26 4.679 4.687 -4.906
97 HD13 ILE 26 HD13 ILE 26 5.025 4.556 -6.631
98 H LYS 27 HN LYS 27 -0.660 3.490 -6.414
99 HA LYS 27 HA LYS 27 0.072 3.782 -9.166
100 HB2 LYS 27 HB2 LYS 27 -1.148 1.713 -9.503
101 HB3 LYS 27 HB1 LYS 27 -0.095 1.590 -8.117
102 HG2 LYS 27 HG2 LYS 27 -1.960 0.552 -7.337
103 HG3 LYS 27 HG1 LYS 27 -2.227 2.199 -6.774
104 HD2 LYS 27 HD2 LYS 27 -4.281 1.727 -7.668
105 HD3 LYS 27 HD1 LYS 27 -3.483 2.439 -9.068
106 HE2 LYS 27 HE2 LYS 27 -3.627 -0.522 -8.517
107 HE3 LYS 27 HE1 LYS 27 -4.765 0.349 -9.542
108 HZ1 LYS 27 HZ1 LYS 27 -1.846 0.037 -10.000
109 HZ2 LYS 27 HZ2 LYS 27 -2.862 1.008 -10.940
110 HZ3 LYS 27 HZ3 LYS 27 -3.096 -0.663 -10.900
111 H SER 28 HN SER 28 -2.526 4.802 -7.215
112 HA SER 28 HA SER 28 -4.352 5.115 -9.464
113 HB2 SER 28 HB2 SER 28 -4.719 5.717 -6.519
114 HB3 SER 28 HB1 SER 28 -5.981 5.831 -7.744
115 HG SER 28 HG SER 28 -5.843 3.628 -8.065
116 H CYS 29 HN CYS 29 -2.808 7.198 -7.009
117 HA CYS 29 HA CYS 29 -2.860 9.452 -8.837
118 HB2 CYS 29 HB2 CYS 29 -4.279 9.586 -6.168
119 HB3 CYS 29 HB1 CYS 29 -4.051 10.925 -7.284
120 HG CYS 29 HG CYS 29 -5.493 8.648 -9.034
121 HA PRO 30 HA PRO 30 0.957 10.036 -6.655
122 HB2 PRO 30 HB2 PRO 30 1.658 12.420 -7.704
123 HB3 PRO 30 HB1 PRO 30 1.709 10.920 -8.639
124 HG2 PRO 30 HG2 PRO 30 -0.388 13.059 -8.601
125 HG3 PRO 30 HG1 PRO 30 0.322 12.217 -9.991
126 HD2 PRO 30 HD2 PRO 30 -2.086 11.546 -8.944
127 HD3 PRO 30 HD1 PRO 30 -1.008 10.362 -9.704
128 H LYS 31 HN LYS 31 -1.198 10.571 -5.000
129 HA LYS 31 HA LYS 31 -0.434 13.117 -3.716
130 HB2 LYS 31 HB2 LYS 31 -2.993 11.519 -3.487
131 HB3 LYS 31 HB1 LYS 31 -2.619 12.932 -2.513
132 HG2 LYS 31 HG2 LYS 31 -2.586 14.326 -4.495
133 HG3 LYS 31 HG1 LYS 31 -2.873 12.912 -5.514
134 HD2 LYS 31 HD2 LYS 31 -5.033 12.566 -4.526
135 HD3 LYS 31 HD1 LYS 31 -4.741 13.831 -3.333
136 HE2 LYS 31 HE2 LYS 31 -6.195 14.654 -5.083
137 HE3 LYS 31 HE1 LYS 31 -4.646 15.491 -5.138
138 HZ1 LYS 31 HZ1 LYS 31 -3.978 14.127 -6.986
139 HZ2 LYS 31 HZ2 LYS 31 -5.466 14.849 -7.337
140 HZ3 LYS 31 HZ3 LYS 31 -5.405 13.220 -6.896
141 H THR 32 HN THR 32 -2.066 10.238 -2.449
142 HA THR 32 HA THR 32 -0.003 9.849 -0.441
143 HB THR 32 HB THR 32 -2.390 8.088 -1.059
144 HG1 THR 32 HG1 THR 32 -2.394 10.555 -0.122
145 HG21 THR 32 HG21 THR 32 -2.096 7.321 1.256
146 HG22 THR 32 HG22 THR 32 -0.679 8.357 1.416
147 HG23 THR 32 HG23 THR 32 -0.658 7.003 0.286
148 H PHE 33 HN PHE 33 1.369 7.968 -0.422
149 HA PHE 33 HA PHE 33 1.474 6.459 -2.887
150 HB2 PHE 33 HB2 PHE 33 3.898 7.116 -3.227
151 HB3 PHE 33 HB1 PHE 33 2.704 8.350 -3.611
152 HD1 PHE 33 HD1 PHE 33 4.730 7.212 -0.679
153 HD2 PHE 33 HD2 PHE 33 3.136 10.483 -2.889
154 HE1 PHE 33 HE1 PHE 33 5.892 8.786 0.817
155 HE2 PHE 33 HE2 PHE 33 4.288 12.060 -1.392
156 HZ PHE 33 HZ PHE 33 5.667 11.212 0.464
157 H GLN 34 HN GLN 34 3.306 4.926 -2.882
158 HA GLN 34 HA GLN 34 3.906 4.016 -0.157
159 HB2 GLN 34 HB2 GLN 34 2.265 2.641 -1.550
160 HB3 GLN 34 HB1 GLN 34 3.630 2.257 -2.585
161 HG2 GLN 34 HG2 GLN 34 4.786 1.271 -0.674
162 HG3 GLN 34 HG1 GLN 34 3.387 1.620 0.337
163 HE21 GLN 34 HE21 GLN 34 3.082 0.599 -2.980
164 HE22 GLN 34 HE22 GLN 34 2.455 -0.971 -2.638
165 H SER 35 HN SER 35 5.196 5.533 -2.653
166 HA SER 35 HA SER 35 7.280 4.153 -3.758
167 HB2 SER 35 HB2 SER 35 7.543 7.046 -2.964
168 HB3 SER 35 HB1 SER 35 8.139 6.245 -4.419
169 HG SER 35 HG SER 35 6.290 7.404 -4.938
170 H ASN 36 HN ASN 36 7.911 6.548 -1.184
171 HA ASN 36 HA ASN 36 10.082 4.811 -0.221
172 HB2 ASN 36 HB2 ASN 36 10.976 6.835 0.882
173 HB3 ASN 36 HB1 ASN 36 10.804 7.067 -0.854
174 HD21 ASN 36 HD21 ASN 36 9.253 8.482 -1.630
175 HD22 ASN 36 HD22 ASN 36 8.452 9.627 -0.612
176 H TYR 37 HN TYR 37 6.995 5.242 0.298
177 HA TYR 37 HA TYR 37 6.790 5.879 3.062
178 HB2 TYR 37 HB2 TYR 37 5.026 6.039 1.146
179 HB3 TYR 37 HB1 TYR 37 4.703 4.357 1.540
180 HD1 TYR 37 HD1 TYR 37 3.566 3.752 3.566
181 HD2 TYR 37 HD2 TYR 37 4.522 7.817 2.764
182 HE1 TYR 37 HE1 TYR 37 2.082 4.454 5.398
183 HE2 TYR 37 HE2 TYR 37 3.035 8.530 4.593
184 HH TYR 37 HH TYR 37 1.816 6.370 6.908
185 H VAL 38 HN VAL 38 7.183 2.933 1.231
186 HA VAL 38 HA VAL 38 6.322 1.023 3.063
187 HB VAL 38 HB VAL 38 8.627 0.806 1.123
188 HG11 VAL 38 HG11 VAL 38 7.000 -1.361 2.451
189 HG12 VAL 38 HG12 VAL 38 8.673 -0.952 2.830
190 HG13 VAL 38 HG13 VAL 38 8.262 -1.601 1.242
191 HG21 VAL 38 HG21 VAL 38 5.752 -0.013 0.799
192 HG22 VAL 38 HG22 VAL 38 7.028 -0.095 -0.417
193 HG23 VAL 38 HG23 VAL 38 6.453 1.468 0.152
194 H ARG 39 HN ARG 39 9.619 2.295 2.627
195 HA ARG 39 HA ARG 39 10.723 0.807 4.760
196 HB2 ARG 39 HB2 ARG 39 11.992 1.833 2.856
197 HB3 ARG 39 HB1 ARG 39 11.766 3.400 3.623
198 HG2 ARG 39 HG2 ARG 39 13.933 2.621 4.186
199 HG3 ARG 39 HG1 ARG 39 12.926 2.507 5.628
200 HD2 ARG 39 HD2 ARG 39 12.605 0.101 5.192
201 HD3 ARG 39 HD1 ARG 39 13.661 0.231 3.786
202 HE ARG 39 HE ARG 39 14.973 1.234 6.078
203 HH11 ARG 39 HH11 ARG 39 14.010 -1.786 4.595
204 HH12 ARG 39 HH12 ARG 39 15.236 -2.709 5.401
205 HH21 ARG 39 HH21 ARG 39 16.590 0.017 7.123
206 HH22 ARG 39 HH22 ARG 39 16.713 -1.686 6.820
207 H ASN 40 HN ASN 40 8.809 3.623 4.688
208 HA ASN 40 HA ASN 40 9.618 4.563 7.306
209 HB2 ASN 40 HB2 ASN 40 8.969 6.184 5.595
210 HB3 ASN 40 HB1 ASN 40 7.380 5.444 5.472
211 HD21 ASN 40 HD21 ASN 40 6.336 7.331 5.994
212 HD22 ASN 40 HD22 ASN 40 6.328 7.978 7.595
213 H ASN 41 HN ASN 41 6.627 3.274 5.852
214 HA ASN 41 HA ASN 41 5.744 2.478 8.550
215 HB2 ASN 41 HB2 ASN 41 4.160 3.653 6.269
216 HB3 ASN 41 HB1 ASN 41 3.382 2.717 7.539
217 HD21 ASN 41 HD21 ASN 41 2.194 4.513 8.202
218 HD22 ASN 41 HD22 ASN 41 2.910 5.806 9.096
219 H ALA 42 HN ALA 42 7.221 0.659 7.364
220 HA ALA 42 HA ALA 42 6.114 -1.034 5.455
221 HB1 ALA 42 HB1 ALA 42 7.946 -1.794 7.729
222 HB2 ALA 42 HB2 ALA 42 8.452 -1.132 6.174
223 HB3 ALA 42 HB3 ALA 42 7.682 -2.717 6.250
224 H SER 43 HN SER 43 5.531 -0.883 8.919
225 HA SER 43 HA SER 43 4.361 -3.414 9.236
226 HB2 SER 43 HB2 SER 43 3.624 -0.951 10.819
227 HB3 SER 43 HB1 SER 43 3.570 -2.633 11.343
228 HG SER 43 HG SER 43 5.567 -2.450 11.929
229 H LEU 44 HN LEU 44 3.033 -0.321 8.180
230 HA LEU 44 HA LEU 44 0.315 -1.151 8.185
231 HB2 LEU 44 HB2 LEU 44 1.715 0.994 6.589
232 HB3 LEU 44 HB1 LEU 44 -0.018 0.739 6.567
233 HG LEU 44 HG LEU 44 1.653 1.624 8.916
234 HD11 LEU 44 HD11 LEU 44 -0.553 2.992 7.383
235 HD12 LEU 44 HD12 LEU 44 1.168 3.350 7.252
236 HD13 LEU 44 HD13 LEU 44 0.319 3.651 8.768
237 HD21 LEU 44 HD21 LEU 44 -0.466 1.768 10.145
238 HD22 LEU 44 HD22 LEU 44 -0.069 0.109 9.702
239 HD23 LEU 44 HD23 LEU 44 -1.293 0.997 8.794
240 H VAL 45 HN VAL 45 2.809 -1.050 5.664
241 HA VAL 45 HA VAL 45 1.234 -2.055 3.573
242 HB VAL 45 HB VAL 45 4.203 -2.430 3.970
243 HG11 VAL 45 HG11 VAL 45 4.317 -2.683 1.569
244 HG12 VAL 45 HG12 VAL 45 2.570 -2.502 1.451
245 HG13 VAL 45 HG13 VAL 45 3.257 -3.906 2.268
246 HG21 VAL 45 HG21 VAL 45 2.700 -0.223 2.581
247 HG22 VAL 45 HG22 VAL 45 4.451 -0.422 2.590
248 HG23 VAL 45 HG23 VAL 45 3.596 -0.080 4.094
249 H ALA 46 HN ALA 46 2.972 -3.644 6.168
250 HA ALA 46 HA ALA 46 2.832 -6.287 5.188
251 HB1 ALA 46 HB1 ALA 46 3.003 -5.289 8.033
252 HB2 ALA 46 HB2 ALA 46 4.360 -5.656 6.969
253 HB3 ALA 46 HB3 ALA 46 3.294 -6.949 7.515
254 H GLU 47 HN GLU 47 0.502 -4.257 6.766
255 HA GLU 47 HA GLU 47 -1.300 -6.233 7.660
256 HB2 GLU 47 HB2 GLU 47 -1.752 -3.384 6.788
257 HB3 GLU 47 HB1 GLU 47 -3.006 -4.396 7.483
258 HG2 GLU 47 HG2 GLU 47 -0.425 -3.657 8.843
259 HG3 GLU 47 HG1 GLU 47 -1.985 -2.883 9.124
260 H ALA 48 HN ALA 48 -0.657 -4.875 4.547
261 HA ALA 48 HA ALA 48 -3.013 -5.424 3.175
262 HB1 ALA 48 HB1 ALA 48 -1.236 -4.073 2.259
263 HB2 ALA 48 HB2 ALA 48 -1.669 -5.381 1.155
264 HB3 ALA 48 HB3 ALA 48 -0.202 -5.498 2.134
265 H ALA 49 HN ALA 49 -0.501 -7.592 4.203
266 HA ALA 49 HA ALA 49 -0.988 -9.729 2.473
267 HB1 ALA 49 HB1 ALA 49 0.932 -9.633 3.991
268 HB2 ALA 49 HB2 ALA 49 0.032 -11.137 4.182
269 HB3 ALA 49 HB3 ALA 49 -0.148 -9.845 5.368
270 H SER 50 HN SER 50 -2.754 -8.531 5.222
271 HA SER 50 HA SER 50 -4.452 -10.804 5.546
272 HB2 SER 50 HB2 SER 50 -4.990 -7.942 6.366
273 HB3 SER 50 HB1 SER 50 -5.725 -9.399 7.040
274 HG SER 50 HG SER 50 -3.709 -8.246 8.041
275 H ARG 51 HN ARG 51 -4.717 -7.699 3.808
276 HA ARG 51 HA ARG 51 -7.305 -8.197 2.777
277 HB2 ARG 51 HB2 ARG 51 -5.219 -6.195 2.437
278 HB3 ARG 51 HB1 ARG 51 -6.036 -6.560 0.923
279 HG2 ARG 51 HG2 ARG 51 -7.161 -4.734 1.948
280 HG3 ARG 51 HG1 ARG 51 -8.203 -6.147 2.060
281 HD2 ARG 51 HD2 ARG 51 -7.178 -6.450 4.407
282 HD3 ARG 51 HD1 ARG 51 -6.638 -4.772 4.230
283 HE ARG 51 HE ARG 51 -9.338 -4.837 3.592
284 HH11 ARG 51 HH11 ARG 51 -7.315 -5.399 6.396
285 HH12 ARG 51 HH12 ARG 51 -8.564 -4.988 7.527
286 HH21 ARG 51 HH21 ARG 51 -10.968 -4.298 5.080
287 HH22 ARG 51 HH22 ARG 51 -10.640 -4.354 6.779
288 H GLY 52 HN GLY 52 -4.067 -9.056 1.728
289 HA2 GLY 52 HA2 GLY 52 -3.811 -11.254 0.828
290 HA3 GLY 52 HA1 GLY 52 -5.384 -11.096 0.075
291 H HIS 53 HN HIS 53 -3.373 -8.323 -0.340
292 HA HIS 53 HA HIS 53 -2.210 -9.424 -2.773
293 HB2 HIS 53 HB2 HIS 53 -4.372 -7.391 -2.737
294 HB3 HIS 53 HB1 HIS 53 -3.063 -7.155 -3.890
295 HD1 HIS 53 HD1 HIS 53 -5.961 -9.410 -3.131
296 HD2 HIS 53 HD2 HIS 53 -2.961 -9.014 -5.985
297 HE1 HIS 53 HE1 HIS 53 -6.623 -10.924 -5.020
298 HE2 HIS 53 HE2 HIS 53 -4.746 -10.751 -6.691
299 H ILE 54 HN ILE 54 -0.244 -8.794 -3.052
300 HA ILE 54 HA ILE 54 0.720 -6.157 -2.645
301 HB ILE 54 HB ILE 54 2.617 -7.209 -1.067
302 HG12 ILE 54 HG12 ILE 54 0.064 -8.522 -0.111
303 HG13 ILE 54 HG11 ILE 54 1.456 -9.357 -0.793
304 HG21 ILE 54 HG21 ILE 54 1.557 -6.036 0.816
305 HG22 ILE 54 HG22 ILE 54 0.077 -5.903 -0.135
306 HG23 ILE 54 HG23 ILE 54 1.550 -5.102 -0.680
307 HD11 ILE 54 HD11 ILE 54 1.405 -7.785 1.772
308 HD12 ILE 54 HD12 ILE 54 2.821 -8.586 1.086
309 HD13 ILE 54 HD13 ILE 54 1.436 -9.543 1.616
310 H SER 55 HN SER 55 3.102 -6.075 -3.103
311 HA SER 55 HA SER 55 4.235 -8.452 -4.319
312 HB2 SER 55 HB2 SER 55 2.894 -7.298 -6.112
313 HB3 SER 55 HB1 SER 55 3.946 -5.895 -5.914
314 HG SER 55 HG SER 55 4.998 -8.463 -6.450
315 H CYS 56 HN CYS 56 6.437 -8.488 -4.052
316 HA CYS 56 HA CYS 56 7.510 -6.196 -2.550
317 HB2 CYS 56 HB2 CYS 56 7.338 -8.232 -1.239
318 HB3 CYS 56 HB1 CYS 56 8.240 -9.126 -2.457
319 HG CYS 56 HG CYS 56 10.065 -8.872 -0.503
320 H ALA 57 HN ALA 57 9.377 -5.241 -3.122
321 HA ALA 57 HA ALA 57 10.767 -6.234 -5.492
322 HB1 ALA 57 HB1 ALA 57 10.120 -3.862 -5.431
323 HB2 ALA 57 HB2 ALA 57 11.867 -4.076 -5.558
324 HB3 ALA 57 HB3 ALA 57 11.144 -3.633 -4.012
325 H THR 58 HN THR 58 11.810 -4.843 -2.330
326 HA THR 58 HA THR 58 13.590 -7.111 -2.024
327 HB THR 58 HB THR 58 14.777 -4.381 -1.672
328 HG1 THR 58 HG1 THR 58 14.348 -5.840 -3.986
329 HG21 THR 58 HG21 THR 58 16.881 -5.586 -1.739
330 HG22 THR 58 HG22 THR 58 16.027 -7.101 -2.017
331 HG23 THR 58 HG23 THR 58 15.840 -6.252 -0.482
332 H THR 59 HN THR 59 12.410 -4.146 -0.603
333 HA THR 59 HA THR 59 11.658 -3.591 1.456
334 HB THR 59 HB THR 59 12.041 -6.454 2.326
335 HG1 THR 59 HG1 THR 59 9.765 -5.203 1.128
336 HG21 THR 59 HG21 THR 59 10.320 -5.898 3.966
337 HG22 THR 59 HG22 THR 59 10.204 -4.262 3.314
338 HG23 THR 59 HG23 THR 59 11.685 -4.789 4.115
339 H SER 60 HN SER 60 14.405 -5.846 1.632
340 HA SER 60 HA SER 60 15.329 -5.058 4.149
341 HB2 SER 60 HB2 SER 60 16.959 -6.195 1.873
342 HB3 SER 60 HB1 SER 60 17.356 -6.264 3.590
343 HG SER 60 HG SER 60 16.026 -8.040 2.265
344 H GLY 61 HN GLY 61 15.787 -3.549 1.042
345 HA2 GLY 61 HA2 GLY 61 17.712 -1.703 2.287
346 HA3 GLY 61 HA1 GLY 61 17.643 -2.042 0.565
347 H ARG 62 HN ARG 62 17.554 0.541 1.689
348 HA ARG 62 HA ARG 62 14.781 1.405 1.623
349 HB2 ARG 62 HB2 ARG 62 15.651 3.610 2.142
350 HB3 ARG 62 HB1 ARG 62 16.398 2.423 3.203
351 HG2 ARG 62 HG2 ARG 62 18.417 2.451 1.868
352 HG3 ARG 62 HG1 ARG 62 17.665 3.556 0.716
353 HD2 ARG 62 HD2 ARG 62 17.425 5.218 2.519
354 HD3 ARG 62 HD1 ARG 62 18.264 4.120 3.613
355 HE ARG 62 HE ARG 62 19.986 4.393 1.531
356 HH11 ARG 62 HH11 ARG 62 18.345 6.645 3.642
357 HH12 ARG 62 HH12 ARG 62 19.582 7.854 3.530
358 HH21 ARG 62 HH21 ARG 62 21.632 5.981 1.390
359 HH22 ARG 62 HH22 ARG 62 21.449 7.480 2.248
360 H ASN 63 HN ASN 63 17.287 0.905 -0.579
361 HA ASN 63 HA ASN 63 16.768 3.081 -2.359
362 HB2 ASN 63 HB2 ASN 63 18.968 2.003 -2.247
363 HB3 ASN 63 HB1 ASN 63 18.263 0.489 -2.808
364 HD21 ASN 63 HD21 ASN 63 19.163 3.740 -3.688
365 HD22 ASN 63 HD22 ASN 63 19.123 3.499 -5.399
366 H GLY 64 HN GLY 64 16.546 -0.391 -3.110
367 HA2 GLY 64 HA2 GLY 64 14.127 0.224 -4.689
368 HA3 GLY 64 HA1 GLY 64 15.247 -1.082 -5.043
369 H GLY 65 HN GLY 65 14.952 -0.945 -1.794
370 HA2 GLY 65 HA2 GLY 65 13.368 -3.367 -1.795
371 HA3 GLY 65 HA1 GLY 65 14.177 -2.633 -0.410
372 H ALA 66 HN ALA 66 11.534 -1.916 -2.658
373 HA ALA 66 HA ALA 66 9.928 -1.103 -0.328
374 HB1 ALA 66 HB1 ALA 66 8.691 0.376 -1.834
375 HB2 ALA 66 HB2 ALA 66 9.716 -0.128 -3.178
376 HB3 ALA 66 HB3 ALA 66 10.409 0.771 -1.828
377 H TRP 67 HN TRP 67 7.622 -1.523 -0.558
378 HA TRP 67 HA TRP 67 7.022 -3.891 -2.165
379 HB2 TRP 67 HB2 TRP 67 5.613 -2.544 0.135
380 HB3 TRP 67 HB1 TRP 67 4.805 -3.745 -0.860
381 HD1 TRP 67 HD1 TRP 67 7.728 -3.438 1.642
382 HE1 TRP 67 HE1 TRP 67 8.142 -5.759 2.677
383 HE3 TRP 67 HE3 TRP 67 4.490 -6.190 -1.200
384 HZ2 TRP 67 HZ2 TRP 67 7.226 -8.399 2.330
385 HZ3 TRP 67 HZ3 TRP 67 4.319 -8.607 -0.782
386 HH2 TRP 67 HH2 TRP 67 5.659 -9.688 0.946
387 H GLU 68 HN GLU 68 5.345 -3.874 -3.664
388 HA GLU 68 HA GLU 68 4.020 -1.290 -4.118
389 HB2 GLU 68 HB2 GLU 68 4.076 -1.604 -6.499
390 HB3 GLU 68 HB1 GLU 68 5.720 -1.760 -5.900
391 HG2 GLU 68 HG2 GLU 68 5.556 -4.182 -6.051
392 HG3 GLU 68 HG1 GLU 68 3.889 -4.035 -6.614
393 H ILE 69 HN ILE 69 1.945 -1.689 -5.440
394 HA ILE 69 HA ILE 69 0.618 -3.958 -4.124
395 HB ILE 69 HB ILE 69 -0.172 -1.703 -3.491
396 HG12 ILE 69 HG12 ILE 69 -2.138 -3.400 -5.045
397 HG13 ILE 69 HG11 ILE 69 -1.722 -3.572 -3.344
398 HG21 ILE 69 HG21 ILE 69 0.245 -0.478 -5.494
399 HG22 ILE 69 HG22 ILE 69 -1.492 -0.428 -5.192
400 HG23 ILE 69 HG23 ILE 69 -0.843 -1.511 -6.417
401 HD11 ILE 69 HD11 ILE 69 -2.693 -1.357 -2.915
402 HD12 ILE 69 HD12 ILE 69 -3.860 -2.505 -3.566
403 HD13 ILE 69 HD13 ILE 69 -3.169 -1.264 -4.612
404 H THR 70 HN THR 70 -0.878 -5.205 -5.292
405 HA THR 70 HA THR 70 -0.465 -5.217 -8.164
406 HB THR 70 HB THR 70 -1.991 -7.299 -7.949
407 HG1 THR 70 HG1 THR 70 -1.340 -7.937 -5.503
408 HG21 THR 70 HG21 THR 70 0.468 -7.357 -8.297
409 HG22 THR 70 HG22 THR 70 -0.119 -8.695 -7.309
410 HG23 THR 70 HG23 THR 70 0.684 -7.323 -6.545
411 H ALA 71 HN ALA 71 -2.412 -5.412 -9.599
412 HA ALA 71 HA ALA 71 -3.817 -3.039 -9.436
413 HB1 ALA 71 HB1 ALA 71 -3.442 -4.320 -11.500
414 HB2 ALA 71 HB2 ALA 71 -5.121 -3.815 -11.309
415 HB3 ALA 71 HB3 ALA 71 -4.660 -5.483 -10.976
416 H SER 72 HN SER 72 -4.914 -6.268 -8.512
417 HA SER 72 HA SER 72 -7.599 -5.721 -8.115
418 HB2 SER 72 HB2 SER 72 -6.065 -7.713 -6.474
419 HB3 SER 72 HB1 SER 72 -7.674 -7.845 -7.169
420 HG SER 72 HG SER 72 -6.657 -8.898 -8.681
421 H GLY 73 HN GLY 73 -4.848 -5.057 -6.039
422 HA2 GLY 73 HA2 GLY 73 -6.119 -5.165 -3.535
423 HA3 GLY 73 HA1 GLY 73 -4.668 -4.239 -3.893
424 H THR 74 HN THR 74 -5.718 -2.483 -5.776
425 HA THR 74 HA THR 74 -6.533 -0.322 -4.248
426 HB THR 74 HB THR 74 -7.196 -0.819 -7.170
427 HG1 THR 74 HG1 THR 74 -4.806 -0.340 -5.804
428 HG21 THR 74 HG21 THR 74 -8.197 1.222 -6.121
429 HG22 THR 74 HG22 THR 74 -7.051 1.573 -7.419
430 HG23 THR 74 HG23 THR 74 -6.563 1.764 -5.737
431 H ARG 75 HN ARG 75 -8.559 -2.863 -5.705
432 HA ARG 75 HA ARG 75 -10.942 -1.266 -5.728
433 HB2 ARG 75 HB2 ARG 75 -10.616 -4.248 -6.072
434 HB3 ARG 75 HB1 ARG 75 -12.040 -3.308 -6.493
435 HG2 ARG 75 HG2 ARG 75 -10.900 -2.202 -8.249
436 HG3 ARG 75 HG1 ARG 75 -9.339 -2.829 -7.717
437 HD2 ARG 75 HD2 ARG 75 -10.104 -5.108 -8.240
438 HD3 ARG 75 HD1 ARG 75 -11.633 -4.449 -8.818
439 HE ARG 75 HE ARG 75 -10.123 -3.161 -10.436
440 HH11 ARG 75 HH11 ARG 75 -9.454 -6.393 -9.268
441 HH12 ARG 75 HH12 ARG 75 -8.540 -6.843 -10.671
442 HH21 ARG 75 HH21 ARG 75 -8.916 -3.752 -12.279
443 HH22 ARG 75 HH22 ARG 75 -8.232 -5.343 -12.381
444 H PHE 76 HN PHE 76 -10.120 -4.247 -3.910
445 HA PHE 76 HA PHE 76 -12.461 -3.978 -2.280
446 HB2 PHE 76 HB2 PHE 76 -11.371 -5.898 -0.985
447 HB3 PHE 76 HB1 PHE 76 -11.898 -6.193 -2.629
448 HD1 PHE 76 HD1 PHE 76 -8.895 -5.454 -0.563
449 HD2 PHE 76 HD2 PHE 76 -10.425 -7.033 -4.210
450 HE1 PHE 76 HE1 PHE 76 -6.675 -6.354 -1.104
451 HE2 PHE 76 HE2 PHE 76 -8.203 -7.926 -4.756
452 HZ PHE 76 HZ PHE 76 -6.328 -7.588 -3.202
453 H LEU 77 HN LEU 77 -9.108 -3.308 -1.869
454 HA LEU 77 HA LEU 77 -9.070 -3.194 0.930
455 HB2 LEU 77 HB2 LEU 77 -7.070 -3.668 -0.092
456 HB3 LEU 77 HB1 LEU 77 -7.274 -2.439 -1.317
457 HG LEU 77 HG LEU 77 -6.974 -0.823 0.709
458 HD11 LEU 77 HD11 LEU 77 -5.617 -3.356 1.616
459 HD12 LEU 77 HD12 LEU 77 -6.912 -2.490 2.444
460 HD13 LEU 77 HD13 LEU 77 -5.314 -1.761 2.299
461 HD21 LEU 77 HD21 LEU 77 -5.542 -0.783 -1.182
462 HD22 LEU 77 HD22 LEU 77 -4.823 -2.339 -0.748
463 HD23 LEU 77 HD23 LEU 77 -4.505 -0.914 0.242
464 H LYS 78 HN LYS 78 -9.342 -0.586 -1.508
465 HA LYS 78 HA LYS 78 -9.134 1.498 0.427
466 HB2 LYS 78 HB2 LYS 78 -8.516 1.838 -1.915
467 HB3 LYS 78 HB1 LYS 78 -10.190 1.605 -2.402
468 HG2 LYS 78 HG2 LYS 78 -10.864 3.626 -1.361
469 HG3 LYS 78 HG1 LYS 78 -9.310 3.794 -0.538
470 HD2 LYS 78 HD2 LYS 78 -9.535 5.295 -2.490
471 HD3 LYS 78 HD1 LYS 78 -8.186 4.169 -2.641
472 HE2 LYS 78 HE2 LYS 78 -9.505 2.749 -4.104
473 HE3 LYS 78 HE1 LYS 78 -10.902 3.804 -3.900
474 HZ1 LYS 78 HZ1 LYS 78 -9.735 5.567 -5.003
475 HZ2 LYS 78 HZ2 LYS 78 -9.689 4.195 -5.987
476 HZ3 LYS 78 HZ3 LYS 78 -8.321 4.645 -5.102
477 H ARG 79 HN ARG 79 -11.802 -0.331 -0.804
478 HA ARG 79 HA ARG 79 -13.828 1.603 -0.420
479 HB2 ARG 79 HB2 ARG 79 -15.390 -0.121 -0.862
480 HB3 ARG 79 HB1 ARG 79 -13.983 -0.470 -1.854
481 HG2 ARG 79 HG2 ARG 79 -13.239 -2.131 -0.248
482 HG3 ARG 79 HG1 ARG 79 -14.626 -1.766 0.780
483 HD2 ARG 79 HD2 ARG 79 -14.740 -2.853 -2.033
484 HD3 ARG 79 HD1 ARG 79 -14.990 -3.785 -0.560
485 HE ARG 79 HE ARG 79 -16.768 -1.558 -0.735
486 HH11 ARG 79 HH11 ARG 79 -16.233 -4.830 -1.839
487 HH12 ARG 79 HH12 ARG 79 -17.911 -5.143 -2.142
488 HH21 ARG 79 HH21 ARG 79 -18.985 -1.960 -1.129
489 HH22 ARG 79 HH22 ARG 79 -19.479 -3.512 -1.728
490 H MET 80 HN MET 80 -12.075 -0.236 1.821
491 HA MET 80 HA MET 80 -14.236 -0.541 3.724
492 HB2 MET 80 HB2 MET 80 -11.285 -1.115 4.027
493 HB3 MET 80 HB1 MET 80 -12.543 -1.580 5.164
494 HG2 MET 80 HG2 MET 80 -12.268 -2.543 2.327
495 HG3 MET 80 HG1 MET 80 -11.879 -3.455 3.782
496 HE1 MET 80 HE1 MET 80 -13.797 -4.461 1.409
497 HE2 MET 80 HE2 MET 80 -15.099 -5.214 2.329
498 HE3 MET 80 HE3 MET 80 -13.422 -5.450 2.821
499 H GLY 81 HN GLY 81 -12.910 2.134 2.803
500 HA2 GLY 81 HA2 GLY 81 -13.331 4.116 4.140
501 HA3 GLY 81 HA1 GLY 81 -12.796 3.215 5.548
502 H GLY 82 HN GLY 82 -11.265 3.487 2.356
503 HA2 GLY 82 HA2 GLY 82 -8.677 3.718 3.382
504 HA3 GLY 82 HA1 GLY 82 -9.157 4.170 1.756
505 H CYS 83 HN CYS 83 -8.123 5.228 4.783
506 HA CYS 83 HA CYS 83 -7.652 7.240 5.721
507 HB2 CYS 83 HB2 CYS 83 -6.414 7.366 3.503
508 HB3 CYS 83 HB1 CYS 83 -7.759 8.340 2.920
509 HG CYS 83 HG CYS 83 -7.035 9.875 5.573
510 H VAL 84 HN VAL 84 -10.412 6.502 5.413
511 HA VAL 84 HA VAL 84 -11.977 8.690 4.549
512 HB VAL 84 HB VAL 84 -12.879 6.419 4.637
513 HG11 VAL 84 HG11 VAL 84 -11.848 5.567 6.634
514 HG12 VAL 84 HG12 VAL 84 -13.600 5.444 6.787
515 HG13 VAL 84 HG13 VAL 84 -12.729 6.725 7.630
516 HG21 VAL 84 HG21 VAL 84 -14.365 8.375 6.381
517 HG22 VAL 84 HG22 VAL 84 -15.069 6.956 5.604
518 HG23 VAL 84 HG23 VAL 84 -14.428 8.272 4.621
Start of MODEL 10
1 H1 MET 16 HT1 MET 16 -7.014 0.488 10.687
2 H2 MET 16 HT2 MET 16 -5.443 1.087 10.521
3 H3 MET 16 HT3 MET 16 -5.689 -0.526 10.962
4 HA MET 16 HA MET 16 -5.041 -0.427 8.683
5 HB2 MET 16 HB2 MET 16 -6.871 -1.654 7.683
6 HB3 MET 16 HB1 MET 16 -6.696 -2.132 9.364
7 HG2 MET 16 HG2 MET 16 -8.599 -0.798 9.990
8 HG3 MET 16 HG1 MET 16 -8.733 -0.162 8.352
9 HE1 MET 16 HE1 MET 16 -9.548 -4.557 9.504
10 HE2 MET 16 HE2 MET 16 -9.079 -3.305 10.655
11 HE3 MET 16 HE3 MET 16 -7.925 -3.875 9.450
12 H SER 17 HN SER 17 -7.094 2.081 9.640
13 HA SER 17 HA SER 17 -8.415 2.865 7.342
14 HB2 SER 17 HB2 SER 17 -8.900 3.863 9.481
15 HB3 SER 17 HB1 SER 17 -7.269 4.512 9.605
16 HG SER 17 HG SER 17 -9.445 5.577 8.430
17 H ASP 18 HN ASP 18 -5.203 3.997 8.441
18 HA ASP 18 HA ASP 18 -4.827 5.644 6.135
19 HB2 ASP 18 HB2 ASP 18 -2.932 4.680 8.255
20 HB3 ASP 18 HB1 ASP 18 -2.456 5.790 6.981
21 H TYR 19 HN TYR 19 -3.817 2.450 7.115
22 HA TYR 19 HA TYR 19 -1.935 1.835 5.193
23 HB2 TYR 19 HB2 TYR 19 -2.036 0.085 6.627
24 HB3 TYR 19 HB1 TYR 19 -3.744 0.341 6.964
25 HD1 TYR 19 HD1 TYR 19 -5.370 -1.071 6.015
26 HD2 TYR 19 HD2 TYR 19 -1.406 -1.112 4.471
27 HE1 TYR 19 HE1 TYR 19 -5.915 -3.041 4.672
28 HE2 TYR 19 HE2 TYR 19 -1.951 -3.091 3.119
29 HH TYR 19 HH TYR 19 -3.687 -5.017 3.316
30 H LEU 20 HN LEU 20 -5.426 1.922 4.935
31 HA LEU 20 HA LEU 20 -5.899 0.354 2.740
32 HB2 LEU 20 HB2 LEU 20 -7.236 2.983 3.361
33 HB3 LEU 20 HB1 LEU 20 -7.878 1.725 2.317
34 HG LEU 20 HG LEU 20 -7.394 1.434 5.284
35 HD11 LEU 20 HD11 LEU 20 -9.832 1.419 5.459
36 HD12 LEU 20 HD12 LEU 20 -9.956 1.766 3.734
37 HD13 LEU 20 HD13 LEU 20 -9.230 2.950 4.823
38 HD21 LEU 20 HD21 LEU 20 -8.666 -0.431 3.284
39 HD22 LEU 20 HD22 LEU 20 -8.656 -0.662 5.032
40 HD23 LEU 20 HD23 LEU 20 -7.139 -0.680 4.133
41 H LYS 21 HN LYS 21 -5.062 3.819 2.707
42 HA LYS 21 HA LYS 21 -5.038 3.773 -0.169
43 HB2 LYS 21 HB2 LYS 21 -4.513 5.983 1.791
44 HB3 LYS 21 HB1 LYS 21 -4.349 6.174 0.048
45 HG2 LYS 21 HG2 LYS 21 -6.735 5.360 -0.134
46 HG3 LYS 21 HG1 LYS 21 -6.833 5.553 1.620
47 HD2 LYS 21 HD2 LYS 21 -7.704 7.538 0.578
48 HD3 LYS 21 HD1 LYS 21 -6.158 7.933 1.329
49 HE2 LYS 21 HE2 LYS 21 -5.042 7.797 -0.821
50 HE3 LYS 21 HE1 LYS 21 -6.544 7.293 -1.594
51 HZ1 LYS 21 HZ1 LYS 21 -6.140 9.908 -0.246
52 HZ2 LYS 21 HZ2 LYS 21 -7.503 9.423 -1.126
53 HZ3 LYS 21 HZ3 LYS 21 -6.029 9.658 -1.915
54 H VAL 22 HN VAL 22 -2.673 3.346 2.312
55 HA VAL 22 HA VAL 22 -0.479 4.643 1.267
56 HB VAL 22 HB VAL 22 -0.778 2.324 3.087
57 HG11 VAL 22 HG11 VAL 22 1.647 1.975 3.226
58 HG12 VAL 22 HG12 VAL 22 1.884 3.054 1.852
59 HG13 VAL 22 HG13 VAL 22 1.032 1.525 1.636
60 HG21 VAL 22 HG21 VAL 22 0.671 4.973 3.115
61 HG22 VAL 22 HG22 VAL 22 0.709 3.803 4.454
62 HG23 VAL 22 HG23 VAL 22 -0.819 4.549 3.969
63 H LEU 23 HN LEU 23 -1.240 1.189 0.660
64 HA LEU 23 HA LEU 23 0.794 0.993 -1.312
65 HB2 LEU 23 HB2 LEU 23 -0.947 -1.085 -1.854
66 HB3 LEU 23 HB1 LEU 23 0.499 -1.144 -0.871
67 HG LEU 23 HG LEU 23 -0.867 -0.719 1.139
68 HD11 LEU 23 HD11 LEU 23 -3.166 -0.862 -0.801
69 HD12 LEU 23 HD12 LEU 23 -2.724 0.505 0.221
70 HD13 LEU 23 HD13 LEU 23 -3.327 -0.982 0.949
71 HD21 LEU 23 HD21 LEU 23 -0.350 -2.980 0.560
72 HD22 LEU 23 HD22 LEU 23 -1.669 -3.032 -0.608
73 HD23 LEU 23 HD23 LEU 23 -2.022 -2.917 1.114
74 H GLN 24 HN GLN 24 -2.724 1.474 -1.567
75 HA GLN 24 HA GLN 24 -2.683 1.126 -4.386
76 HB2 GLN 24 HB2 GLN 24 -5.002 1.819 -4.377
77 HB3 GLN 24 HB1 GLN 24 -4.691 0.607 -3.161
78 HG2 GLN 24 HG2 GLN 24 -6.047 2.014 -1.998
79 HG3 GLN 24 HG1 GLN 24 -4.484 2.723 -1.599
80 HE21 GLN 24 HE21 GLN 24 -4.069 4.792 -2.231
81 HE22 GLN 24 HE22 GLN 24 -5.181 5.783 -3.113
82 H ALA 25 HN ALA 25 -2.128 3.823 -2.350
83 HA ALA 25 HA ALA 25 -3.005 5.897 -3.989
84 HB1 ALA 25 HB1 ALA 25 -2.285 6.007 -1.569
85 HB2 ALA 25 HB2 ALA 25 -1.842 7.361 -2.604
86 HB3 ALA 25 HB3 ALA 25 -0.634 6.145 -2.183
87 H ILE 26 HN ILE 26 0.140 4.245 -3.972
88 HA ILE 26 HA ILE 26 1.347 6.051 -5.785
89 HB ILE 26 HB ILE 26 2.691 4.535 -4.403
90 HG12 ILE 26 HG12 ILE 26 3.057 4.129 -7.380
91 HG13 ILE 26 HG11 ILE 26 3.698 5.461 -6.425
92 HG21 ILE 26 HG21 ILE 26 2.917 2.157 -5.074
93 HG22 ILE 26 HG22 ILE 26 1.531 2.370 -6.147
94 HG23 ILE 26 HG23 ILE 26 1.336 2.561 -4.402
95 HD11 ILE 26 HD11 ILE 26 5.072 3.855 -5.168
96 HD12 ILE 26 HD12 ILE 26 5.436 3.866 -6.893
97 HD13 ILE 26 HD13 ILE 26 4.468 2.563 -6.204
98 H LYS 27 HN LYS 27 -0.687 3.255 -6.197
99 HA LYS 27 HA LYS 27 -0.277 3.047 -9.024
100 HB2 LYS 27 HB2 LYS 27 -1.062 1.018 -8.503
101 HB3 LYS 27 HB1 LYS 27 -1.695 1.582 -6.966
102 HG2 LYS 27 HG2 LYS 27 -3.769 2.168 -7.920
103 HG3 LYS 27 HG1 LYS 27 -3.141 2.006 -9.563
104 HD2 LYS 27 HD2 LYS 27 -2.879 -0.399 -9.229
105 HD3 LYS 27 HD1 LYS 27 -3.469 -0.240 -7.574
106 HE2 LYS 27 HE2 LYS 27 -5.231 -1.030 -9.073
107 HE3 LYS 27 HE1 LYS 27 -5.617 0.551 -8.399
108 HZ1 LYS 27 HZ1 LYS 27 -6.119 0.432 -10.765
109 HZ2 LYS 27 HZ2 LYS 27 -4.507 0.067 -11.114
110 HZ3 LYS 27 HZ3 LYS 27 -4.913 1.575 -10.465
111 H SER 28 HN SER 28 -2.603 4.609 -6.905
112 HA SER 28 HA SER 28 -4.248 5.420 -9.162
113 HB2 SER 28 HB2 SER 28 -4.606 5.964 -6.204
114 HB3 SER 28 HB1 SER 28 -5.811 6.222 -7.466
115 HG SER 28 HG SER 28 -5.288 3.815 -7.859
116 H CYS 29 HN CYS 29 -1.599 6.627 -7.486
117 HA CYS 29 HA CYS 29 -1.809 9.200 -8.804
118 HB2 CYS 29 HB2 CYS 29 -2.933 9.549 -6.614
119 HB3 CYS 29 HB1 CYS 29 -1.472 9.007 -5.797
120 HG CYS 29 HG CYS 29 -0.827 11.479 -5.440
121 HA PRO 30 HA PRO 30 2.385 8.430 -9.860
122 HB2 PRO 30 HB2 PRO 30 2.729 11.248 -8.897
123 HB3 PRO 30 HB1 PRO 30 3.368 10.476 -10.352
124 HG2 PRO 30 HG2 PRO 30 1.203 12.028 -10.467
125 HG3 PRO 30 HG1 PRO 30 1.336 10.562 -11.454
126 HD2 PRO 30 HD2 PRO 30 -0.364 11.092 -9.095
127 HD3 PRO 30 HD1 PRO 30 -0.583 9.920 -10.406
128 H LYS 31 HN LYS 31 2.245 10.463 -6.885
129 HA LYS 31 HA LYS 31 4.155 8.592 -5.663
130 HB2 LYS 31 HB2 LYS 31 5.403 10.523 -6.611
131 HB3 LYS 31 HB1 LYS 31 4.461 11.600 -5.591
132 HG2 LYS 31 HG2 LYS 31 5.353 10.368 -3.606
133 HG3 LYS 31 HG1 LYS 31 6.422 9.496 -4.706
134 HD2 LYS 31 HD2 LYS 31 6.346 12.492 -4.338
135 HD3 LYS 31 HD1 LYS 31 7.545 11.406 -3.639
136 HE2 LYS 31 HE2 LYS 31 7.057 11.806 -6.588
137 HE3 LYS 31 HE1 LYS 31 8.362 12.542 -5.663
138 HZ1 LYS 31 HZ1 LYS 31 9.161 10.615 -6.816
139 HZ2 LYS 31 HZ2 LYS 31 7.962 9.638 -6.140
140 HZ3 LYS 31 HZ3 LYS 31 9.172 10.295 -5.155
141 H THR 32 HN THR 32 2.846 7.782 -4.105
142 HA THR 32 HA THR 32 2.283 9.473 -1.842
143 HB THR 32 HB THR 32 -0.104 7.975 -2.847
144 HG1 THR 32 HG1 THR 32 0.938 10.307 -3.897
145 HG21 THR 32 HG21 THR 32 -0.064 8.751 -0.528
146 HG22 THR 32 HG22 THR 32 -1.299 9.600 -1.459
147 HG23 THR 32 HG23 THR 32 0.227 10.400 -1.082
148 H PHE 33 HN PHE 33 3.262 8.336 -0.403
149 HA PHE 33 HA PHE 33 3.444 6.834 1.253
150 HB2 PHE 33 HB2 PHE 33 1.087 5.473 -0.045
151 HB3 PHE 33 HB1 PHE 33 1.751 5.070 1.530
152 HD1 PHE 33 HD1 PHE 33 2.177 7.615 2.803
153 HD2 PHE 33 HD2 PHE 33 -1.009 6.387 0.264
154 HE1 PHE 33 HE1 PHE 33 0.709 9.295 3.838
155 HE2 PHE 33 HE2 PHE 33 -2.480 8.061 1.298
156 HZ PHE 33 HZ PHE 33 -1.668 9.463 3.110
157 H GLN 34 HN GLN 34 2.374 4.640 -1.341
158 HA GLN 34 HA GLN 34 4.246 2.692 -0.507
159 HB2 GLN 34 HB2 GLN 34 2.004 2.397 -1.697
160 HB3 GLN 34 HB1 GLN 34 2.895 2.718 -3.176
161 HG2 GLN 34 HG2 GLN 34 2.895 0.424 -3.061
162 HG3 GLN 34 HG1 GLN 34 4.466 0.867 -2.388
163 HE21 GLN 34 HE21 GLN 34 2.882 -1.553 -1.996
164 HE22 GLN 34 HE22 GLN 34 2.624 -1.682 -0.293
165 H SER 35 HN SER 35 4.665 5.413 -2.414
166 HA SER 35 HA SER 35 6.639 4.633 -4.227
167 HB2 SER 35 HB2 SER 35 6.458 7.273 -2.763
168 HB3 SER 35 HB1 SER 35 7.222 6.977 -4.325
169 HG SER 35 HG SER 35 5.234 6.612 -5.229
170 H ASN 36 HN ASN 36 7.330 6.441 -1.213
171 HA ASN 36 HA ASN 36 9.833 4.881 -0.960
172 HB2 ASN 36 HB2 ASN 36 9.980 7.355 -1.722
173 HB3 ASN 36 HB1 ASN 36 9.544 7.745 -0.064
174 HD21 ASN 36 HD21 ASN 36 11.966 8.360 -1.511
175 HD22 ASN 36 HD22 ASN 36 13.263 7.651 -0.617
176 H TYR 37 HN TYR 37 7.001 6.071 0.447
177 HA TYR 37 HA TYR 37 7.753 6.381 3.141
178 HB2 TYR 37 HB2 TYR 37 5.816 7.473 2.191
179 HB3 TYR 37 HB1 TYR 37 5.075 5.928 1.835
180 HD1 TYR 37 HD1 TYR 37 3.156 5.754 3.020
181 HD2 TYR 37 HD2 TYR 37 6.595 7.288 4.990
182 HE1 TYR 37 HE1 TYR 37 1.881 5.871 5.106
183 HE2 TYR 37 HE2 TYR 37 5.335 7.403 7.102
184 HH TYR 37 HH TYR 37 3.017 7.553 7.852
185 H VAL 38 HN VAL 38 6.972 3.589 1.258
186 HA VAL 38 HA VAL 38 5.976 1.743 3.016
187 HB VAL 38 HB VAL 38 8.165 1.262 0.988
188 HG11 VAL 38 HG11 VAL 38 6.308 -0.703 2.328
189 HG12 VAL 38 HG12 VAL 38 8.048 -0.576 2.576
190 HG13 VAL 38 HG13 VAL 38 7.416 -1.076 1.010
191 HG21 VAL 38 HG21 VAL 38 5.173 1.013 0.779
192 HG22 VAL 38 HG22 VAL 38 6.329 0.538 -0.465
193 HG23 VAL 38 HG23 VAL 38 6.183 2.232 0.001
194 H ARG 39 HN ARG 39 9.428 2.554 2.617
195 HA ARG 39 HA ARG 39 10.487 0.793 4.484
196 HB2 ARG 39 HB2 ARG 39 11.365 3.430 3.415
197 HB3 ARG 39 HB1 ARG 39 12.196 2.803 4.831
198 HG2 ARG 39 HG2 ARG 39 13.458 2.117 2.973
199 HG3 ARG 39 HG1 ARG 39 12.584 0.686 3.519
200 HD2 ARG 39 HD2 ARG 39 12.421 0.703 1.167
201 HD3 ARG 39 HD1 ARG 39 10.852 1.232 1.768
202 HE ARG 39 HE ARG 39 11.787 3.574 1.325
203 HH11 ARG 39 HH11 ARG 39 12.612 0.730 -0.549
204 HH12 ARG 39 HH12 ARG 39 12.966 1.631 -1.992
205 HH21 ARG 39 HH21 ARG 39 12.287 4.756 -0.565
206 HH22 ARG 39 HH22 ARG 39 12.811 3.914 -1.996
207 H ASN 40 HN ASN 40 8.857 3.845 5.011
208 HA ASN 40 HA ASN 40 9.587 3.913 7.815
209 HB2 ASN 40 HB2 ASN 40 9.448 6.004 6.476
210 HB3 ASN 40 HB1 ASN 40 7.717 5.737 6.291
211 HD21 ASN 40 HD21 ASN 40 7.263 7.699 7.318
212 HD22 ASN 40 HD22 ASN 40 7.417 7.884 9.031
213 H ASN 41 HN ASN 41 6.804 3.030 5.848
214 HA ASN 41 HA ASN 41 5.288 2.549 8.332
215 HB2 ASN 41 HB2 ASN 41 3.282 3.091 7.277
216 HB3 ASN 41 HB1 ASN 41 4.397 4.260 6.595
217 HD21 ASN 41 HD21 ASN 41 5.257 3.766 4.443
218 HD22 ASN 41 HD22 ASN 41 4.248 2.907 3.332
219 H ALA 42 HN ALA 42 7.155 0.681 7.379
220 HA ALA 42 HA ALA 42 6.228 -1.291 5.664
221 HB1 ALA 42 HB1 ALA 42 7.825 -2.781 6.721
222 HB2 ALA 42 HB2 ALA 42 7.967 -1.682 8.095
223 HB3 ALA 42 HB3 ALA 42 8.523 -1.176 6.498
224 H SER 43 HN SER 43 5.377 -0.696 9.001
225 HA SER 43 HA SER 43 4.150 -3.225 9.472
226 HB2 SER 43 HB2 SER 43 3.699 -0.598 10.903
227 HB3 SER 43 HB1 SER 43 3.259 -2.200 11.495
228 HG SER 43 HG SER 43 5.814 -1.044 11.192
229 H LEU 44 HN LEU 44 3.012 -0.130 8.213
230 HA LEU 44 HA LEU 44 0.246 -0.814 8.275
231 HB2 LEU 44 HB2 LEU 44 1.754 1.223 6.625
232 HB3 LEU 44 HB1 LEU 44 0.015 1.027 6.553
233 HG LEU 44 HG LEU 44 1.620 1.891 8.959
234 HD11 LEU 44 HD11 LEU 44 1.337 3.601 7.216
235 HD12 LEU 44 HD12 LEU 44 0.455 4.000 8.688
236 HD13 LEU 44 HD13 LEU 44 -0.409 3.368 7.287
237 HD21 LEU 44 HD21 LEU 44 -0.588 2.222 10.023
238 HD22 LEU 44 HD22 LEU 44 -0.226 0.529 9.701
239 HD23 LEU 44 HD23 LEU 44 -1.340 1.407 8.654
240 H VAL 45 HN VAL 45 2.751 -0.932 5.773
241 HA VAL 45 HA VAL 45 1.137 -2.012 3.741
242 HB VAL 45 HB VAL 45 4.084 -2.565 4.063
243 HG11 VAL 45 HG11 VAL 45 2.972 -3.832 2.310
244 HG12 VAL 45 HG12 VAL 45 4.063 -2.632 1.619
245 HG13 VAL 45 HG13 VAL 45 2.325 -2.341 1.627
246 HG21 VAL 45 HG21 VAL 45 3.799 -0.196 4.343
247 HG22 VAL 45 HG22 VAL 45 2.730 -0.118 2.942
248 HG23 VAL 45 HG23 VAL 45 4.435 -0.503 2.728
249 H ALA 46 HN ALA 46 2.799 -3.500 6.437
250 HA ALA 46 HA ALA 46 2.767 -6.173 5.601
251 HB1 ALA 46 HB1 ALA 46 2.535 -5.112 8.416
252 HB2 ALA 46 HB2 ALA 46 4.039 -5.378 7.537
253 HB3 ALA 46 HB3 ALA 46 3.010 -6.746 7.955
254 H GLU 47 HN GLU 47 0.243 -4.160 6.908
255 HA GLU 47 HA GLU 47 -1.611 -6.101 7.691
256 HB2 GLU 47 HB2 GLU 47 -2.087 -3.369 6.497
257 HB3 GLU 47 HB1 GLU 47 -3.313 -4.344 7.289
258 HG2 GLU 47 HG2 GLU 47 -0.823 -3.230 8.559
259 HG3 GLU 47 HG1 GLU 47 -2.467 -2.636 8.784
260 H ALA 48 HN ALA 48 -0.696 -4.927 4.571
261 HA ALA 48 HA ALA 48 -2.853 -5.699 2.993
262 HB1 ALA 48 HB1 ALA 48 0.040 -5.827 2.194
263 HB2 ALA 48 HB2 ALA 48 -0.897 -4.338 2.279
264 HB3 ALA 48 HB3 ALA 48 -1.357 -5.605 1.141
265 H ALA 49 HN ALA 49 -0.230 -7.617 4.315
266 HA ALA 49 HA ALA 49 -0.574 -9.907 2.712
267 HB1 ALA 49 HB1 ALA 49 1.411 -9.561 4.083
268 HB2 ALA 49 HB2 ALA 49 0.641 -11.099 4.470
269 HB3 ALA 49 HB3 ALA 49 0.440 -9.717 5.546
270 H SER 50 HN SER 50 -2.244 -8.694 5.509
271 HA SER 50 HA SER 50 -3.751 -11.071 6.015
272 HB2 SER 50 HB2 SER 50 -4.357 -8.225 6.844
273 HB3 SER 50 HB1 SER 50 -5.013 -9.696 7.562
274 HG SER 50 HG SER 50 -2.532 -10.113 7.780
275 H ARG 51 HN ARG 51 -4.283 -8.084 4.156
276 HA ARG 51 HA ARG 51 -6.959 -8.719 3.420
277 HB2 ARG 51 HB2 ARG 51 -4.919 -6.747 2.513
278 HB3 ARG 51 HB1 ARG 51 -6.266 -7.082 1.440
279 HG2 ARG 51 HG2 ARG 51 -6.745 -5.138 2.777
280 HG3 ARG 51 HG1 ARG 51 -7.831 -6.449 3.226
281 HD2 ARG 51 HD2 ARG 51 -5.301 -6.057 4.758
282 HD3 ARG 51 HD1 ARG 51 -6.663 -4.979 5.058
283 HE ARG 51 HE ARG 51 -7.581 -7.631 5.148
284 HH11 ARG 51 HH11 ARG 51 -5.509 -5.467 6.947
285 HH12 ARG 51 HH12 ARG 51 -5.848 -6.198 8.481
286 HH21 ARG 51 HH21 ARG 51 -8.010 -8.628 7.165
287 HH22 ARG 51 HH22 ARG 51 -7.255 -8.011 8.601
288 H GLY 52 HN GLY 52 -3.795 -9.405 2.028
289 HA2 GLY 52 HA2 GLY 52 -3.507 -11.599 1.104
290 HA3 GLY 52 HA1 GLY 52 -5.154 -11.526 0.512
291 H HIS 53 HN HIS 53 -3.306 -8.658 -0.043
292 HA HIS 53 HA HIS 53 -2.311 -9.654 -2.586
293 HB2 HIS 53 HB2 HIS 53 -4.619 -7.839 -2.354
294 HB3 HIS 53 HB1 HIS 53 -3.395 -7.364 -3.528
295 HD1 HIS 53 HD1 HIS 53 -6.072 -9.872 -2.916
296 HD2 HIS 53 HD2 HIS 53 -3.069 -9.146 -5.699
297 HE1 HIS 53 HE1 HIS 53 -6.605 -11.343 -4.882
298 HE2 HIS 53 HE2 HIS 53 -4.674 -11.025 -6.466
299 H ILE 54 HN ILE 54 -0.373 -8.963 -2.921
300 HA ILE 54 HA ILE 54 0.376 -6.221 -2.748
301 HB ILE 54 HB ILE 54 2.505 -7.146 -1.315
302 HG12 ILE 54 HG12 ILE 54 0.030 -8.290 -0.002
303 HG13 ILE 54 HG11 ILE 54 1.344 -9.224 -0.709
304 HG21 ILE 54 HG21 ILE 54 0.083 -5.691 -0.295
305 HG22 ILE 54 HG22 ILE 54 1.502 -4.984 -1.065
306 HG23 ILE 54 HG23 ILE 54 1.648 -5.753 0.516
307 HD11 ILE 54 HD11 ILE 54 1.541 -9.161 1.695
308 HD12 ILE 54 HD12 ILE 54 1.545 -7.397 1.671
309 HD13 ILE 54 HD13 ILE 54 2.883 -8.293 0.951
310 H SER 55 HN SER 55 2.704 -5.946 -3.385
311 HA SER 55 HA SER 55 3.865 -8.283 -4.682
312 HB2 SER 55 HB2 SER 55 2.543 -7.035 -6.402
313 HB3 SER 55 HB1 SER 55 3.544 -5.619 -6.086
314 HG SER 55 HG SER 55 4.706 -8.090 -6.794
315 H CYS 56 HN CYS 56 6.007 -8.411 -4.291
316 HA CYS 56 HA CYS 56 7.144 -6.220 -2.705
317 HB2 CYS 56 HB2 CYS 56 7.018 -8.485 -1.694
318 HB3 CYS 56 HB1 CYS 56 8.065 -9.090 -2.973
319 HG CYS 56 HG CYS 56 9.786 -8.949 -0.921
320 H ALA 57 HN ALA 57 9.104 -5.300 -3.159
321 HA ALA 57 HA ALA 57 10.324 -6.015 -5.732
322 HB1 ALA 57 HB1 ALA 57 10.667 -3.504 -4.099
323 HB2 ALA 57 HB2 ALA 57 9.642 -3.678 -5.522
324 HB3 ALA 57 HB3 ALA 57 11.393 -3.825 -5.674
325 H THR 58 HN THR 58 11.427 -4.807 -2.542
326 HA THR 58 HA THR 58 13.172 -7.083 -2.291
327 HB THR 58 HB THR 58 14.591 -4.526 -1.811
328 HG1 THR 58 HG1 THR 58 15.270 -4.487 -3.996
329 HG21 THR 58 HG21 THR 58 15.600 -6.654 -1.167
330 HG22 THR 58 HG22 THR 58 16.523 -5.888 -2.460
331 HG23 THR 58 HG23 THR 58 15.447 -7.237 -2.825
332 H THR 59 HN THR 59 12.142 -4.041 -0.974
333 HA THR 59 HA THR 59 11.621 -3.286 1.087
334 HB THR 59 HB THR 59 11.120 -6.130 1.929
335 HG1 THR 59 HG1 THR 59 9.606 -6.279 0.445
336 HG21 THR 59 HG21 THR 59 9.260 -5.126 3.144
337 HG22 THR 59 HG22 THR 59 9.625 -3.548 2.449
338 HG23 THR 59 HG23 THR 59 10.758 -4.302 3.570
339 H SER 60 HN SER 60 14.418 -4.279 0.556
340 HA SER 60 HA SER 60 15.333 -4.947 3.228
341 HB2 SER 60 HB2 SER 60 17.596 -4.968 2.040
342 HB3 SER 60 HB1 SER 60 16.424 -6.176 1.511
343 HG SER 60 HG SER 60 17.573 -4.890 -0.167
344 H GLY 61 HN GLY 61 16.175 -2.537 0.776
345 HA2 GLY 61 HA2 GLY 61 16.339 -0.503 2.892
346 HA3 GLY 61 HA1 GLY 61 17.689 -0.704 1.780
347 H ARG 62 HN ARG 62 17.241 1.582 1.267
348 HA ARG 62 HA ARG 62 14.772 2.176 -0.100
349 HB2 ARG 62 HB2 ARG 62 17.272 3.787 0.395
350 HB3 ARG 62 HB1 ARG 62 15.908 4.400 -0.527
351 HG2 ARG 62 HG2 ARG 62 14.457 4.112 1.411
352 HG3 ARG 62 HG1 ARG 62 15.819 3.488 2.339
353 HD2 ARG 62 HD2 ARG 62 15.705 6.230 1.096
354 HD3 ARG 62 HD1 ARG 62 15.313 5.880 2.777
355 HE ARG 62 HE ARG 62 17.772 4.888 2.629
356 HH11 ARG 62 HH11 ARG 62 16.493 7.913 1.417
357 HH12 ARG 62 HH12 ARG 62 17.987 8.772 1.610
358 HH21 ARG 62 HH21 ARG 62 19.741 6.021 2.900
359 HH22 ARG 62 HH22 ARG 62 19.835 7.693 2.452
360 H ASN 63 HN ASN 63 17.540 0.615 -0.995
361 HA ASN 63 HA ASN 63 17.812 1.663 -3.663
362 HB2 ASN 63 HB2 ASN 63 19.436 -0.187 -3.977
363 HB3 ASN 63 HB1 ASN 63 19.791 0.785 -2.557
364 HD21 ASN 63 HD21 ASN 63 20.467 -2.001 -3.309
365 HD22 ASN 63 HD22 ASN 63 19.933 -2.972 -1.982
366 H GLY 64 HN GLY 64 15.277 1.169 -3.678
367 HA2 GLY 64 HA2 GLY 64 13.838 0.151 -5.229
368 HA3 GLY 64 HA1 GLY 64 15.026 -1.121 -5.465
369 H GLY 65 HN GLY 65 14.980 -1.019 -2.295
370 HA2 GLY 65 HA2 GLY 65 13.248 -3.315 -2.104
371 HA3 GLY 65 HA1 GLY 65 14.183 -2.590 -0.797
372 H ALA 66 HN ALA 66 11.269 -2.208 -2.736
373 HA ALA 66 HA ALA 66 9.911 -1.187 -0.340
374 HB1 ALA 66 HB1 ALA 66 10.394 0.731 -1.782
375 HB2 ALA 66 HB2 ALA 66 8.661 0.411 -1.709
376 HB3 ALA 66 HB3 ALA 66 9.588 -0.073 -3.129
377 H TRP 67 HN TRP 67 7.475 -1.329 -0.647
378 HA TRP 67 HA TRP 67 6.788 -3.768 -2.137
379 HB2 TRP 67 HB2 TRP 67 5.443 -2.295 0.118
380 HB3 TRP 67 HB1 TRP 67 4.548 -3.437 -0.872
381 HD1 TRP 67 HD1 TRP 67 7.190 -3.266 1.862
382 HE1 TRP 67 HE1 TRP 67 7.544 -5.629 2.825
383 HE3 TRP 67 HE3 TRP 67 4.451 -5.958 -1.526
384 HZ2 TRP 67 HZ2 TRP 67 6.772 -8.267 2.233
385 HZ3 TRP 67 HZ3 TRP 67 4.313 -8.395 -1.247
386 HH2 TRP 67 HH2 TRP 67 5.447 -9.525 0.590
387 H GLU 68 HN GLU 68 4.809 -3.752 -3.421
388 HA GLU 68 HA GLU 68 3.660 -1.134 -3.989
389 HB2 GLU 68 HB2 GLU 68 3.800 -1.356 -6.368
390 HB3 GLU 68 HB1 GLU 68 5.419 -1.547 -5.715
391 HG2 GLU 68 HG2 GLU 68 5.246 -3.962 -5.962
392 HG3 GLU 68 HG1 GLU 68 3.605 -3.776 -6.585
393 H ILE 69 HN ILE 69 1.663 -1.470 -5.437
394 HA ILE 69 HA ILE 69 0.197 -3.700 -4.207
395 HB ILE 69 HB ILE 69 -0.524 -1.348 -3.725
396 HG12 ILE 69 HG12 ILE 69 -2.496 -3.132 -5.168
397 HG13 ILE 69 HG11 ILE 69 -2.089 -3.195 -3.457
398 HG21 ILE 69 HG21 ILE 69 -1.762 -0.147 -5.489
399 HG22 ILE 69 HG22 ILE 69 -1.247 -1.370 -6.648
400 HG23 ILE 69 HG23 ILE 69 -0.050 -0.340 -5.863
401 HD11 ILE 69 HD11 ILE 69 -4.205 -2.112 -3.738
402 HD12 ILE 69 HD12 ILE 69 -3.516 -0.974 -4.894
403 HD13 ILE 69 HD13 ILE 69 -3.020 -0.922 -3.201
404 H THR 70 HN THR 70 -1.284 -4.916 -5.458
405 HA THR 70 HA THR 70 -0.755 -5.009 -8.303
406 HB THR 70 HB THR 70 -2.359 -6.915 -8.289
407 HG1 THR 70 HG1 THR 70 -3.727 -6.832 -6.659
408 HG21 THR 70 HG21 THR 70 -0.960 -8.455 -6.989
409 HG22 THR 70 HG22 THR 70 -0.196 -7.084 -6.183
410 HG23 THR 70 HG23 THR 70 0.027 -7.324 -7.916
411 H ALA 71 HN ALA 71 -2.630 -4.910 -9.860
412 HA ALA 71 HA ALA 71 -3.951 -2.464 -9.575
413 HB1 ALA 71 HB1 ALA 71 -5.205 -3.054 -11.567
414 HB2 ALA 71 HB2 ALA 71 -4.717 -4.741 -11.394
415 HB3 ALA 71 HB3 ALA 71 -3.508 -3.506 -11.745
416 H SER 72 HN SER 72 -4.969 -5.708 -8.802
417 HA SER 72 HA SER 72 -7.723 -5.204 -8.460
418 HB2 SER 72 HB2 SER 72 -7.587 -7.376 -7.123
419 HB3 SER 72 HB1 SER 72 -7.048 -7.444 -8.798
420 HG SER 72 HG SER 72 -5.280 -8.222 -7.977
421 H GLY 73 HN GLY 73 -5.000 -4.548 -6.417
422 HA2 GLY 73 HA2 GLY 73 -6.109 -5.062 -3.892
423 HA3 GLY 73 HA1 GLY 73 -4.771 -3.975 -4.217
424 H THR 74 HN THR 74 -5.928 -2.051 -5.741
425 HA THR 74 HA THR 74 -6.921 -0.292 -3.851
426 HB THR 74 HB THR 74 -7.358 -0.136 -6.839
427 HG1 THR 74 HG1 THR 74 -5.254 1.279 -6.049
428 HG21 THR 74 HG21 THR 74 -7.175 2.318 -6.434
429 HG22 THR 74 HG22 THR 74 -7.181 1.991 -4.699
430 HG23 THR 74 HG23 THR 74 -8.589 1.579 -5.677
431 H ARG 75 HN ARG 75 -8.653 -2.612 -5.787
432 HA ARG 75 HA ARG 75 -11.151 -1.218 -5.716
433 HB2 ARG 75 HB2 ARG 75 -10.589 -4.110 -6.387
434 HB3 ARG 75 HB1 ARG 75 -12.061 -3.222 -6.765
435 HG2 ARG 75 HG2 ARG 75 -10.879 -1.793 -8.286
436 HG3 ARG 75 HG1 ARG 75 -9.333 -2.498 -7.814
437 HD2 ARG 75 HD2 ARG 75 -10.139 -4.686 -8.669
438 HD3 ARG 75 HD1 ARG 75 -11.593 -3.880 -9.252
439 HE ARG 75 HE ARG 75 -9.678 -2.430 -10.423
440 HH11 ARG 75 HH11 ARG 75 -10.085 -5.898 -10.170
441 HH12 ARG 75 HH12 ARG 75 -9.317 -6.229 -11.690
442 HH21 ARG 75 HH21 ARG 75 -8.650 -2.858 -12.418
443 HH22 ARG 75 HH22 ARG 75 -8.481 -4.499 -12.960
444 H PHE 76 HN PHE 76 -10.103 -4.299 -4.173
445 HA PHE 76 HA PHE 76 -12.440 -4.284 -2.513
446 HB2 PHE 76 HB2 PHE 76 -11.182 -6.235 -1.343
447 HB3 PHE 76 HB1 PHE 76 -11.869 -6.445 -2.938
448 HD1 PHE 76 HD1 PHE 76 -8.667 -5.684 -1.207
449 HD2 PHE 76 HD2 PHE 76 -10.590 -7.232 -4.671
450 HE1 PHE 76 HE1 PHE 76 -6.501 -6.496 -2.042
451 HE2 PHE 76 HE2 PHE 76 -8.430 -8.044 -5.510
452 HZ PHE 76 HZ PHE 76 -6.383 -7.677 -4.203
453 H LEU 77 HN LEU 77 -9.015 -3.711 -1.886
454 HA LEU 77 HA LEU 77 -9.362 -3.612 0.934
455 HB2 LEU 77 HB2 LEU 77 -7.130 -3.749 0.938
456 HB3 LEU 77 HB1 LEU 77 -7.229 -3.822 -0.811
457 HG LEU 77 HG LEU 77 -7.249 -1.122 -0.379
458 HD11 LEU 77 HD11 LEU 77 -6.846 -1.356 1.985
459 HD12 LEU 77 HD12 LEU 77 -5.425 -0.673 1.192
460 HD13 LEU 77 HD13 LEU 77 -5.437 -2.369 1.673
461 HD21 LEU 77 HD21 LEU 77 -5.916 -2.429 -2.016
462 HD22 LEU 77 HD22 LEU 77 -4.774 -2.804 -0.725
463 HD23 LEU 77 HD23 LEU 77 -5.015 -1.130 -1.236
464 H LYS 78 HN LYS 78 -8.933 -1.057 -1.490
465 HA LYS 78 HA LYS 78 -8.844 1.006 0.464
466 HB2 LYS 78 HB2 LYS 78 -7.771 1.060 -1.813
467 HB3 LYS 78 HB1 LYS 78 -9.367 1.353 -2.479
468 HG2 LYS 78 HG2 LYS 78 -8.514 3.151 -0.299
469 HG3 LYS 78 HG1 LYS 78 -7.641 3.297 -1.822
470 HD2 LYS 78 HD2 LYS 78 -10.612 3.571 -1.396
471 HD3 LYS 78 HD1 LYS 78 -9.470 4.850 -1.808
472 HE2 LYS 78 HE2 LYS 78 -8.965 3.479 -3.905
473 HE3 LYS 78 HE1 LYS 78 -10.423 2.570 -3.515
474 HZ1 LYS 78 HZ1 LYS 78 -10.971 4.293 -5.044
475 HZ2 LYS 78 HZ2 LYS 78 -10.243 5.472 -4.081
476 HZ3 LYS 78 HZ3 LYS 78 -11.646 4.695 -3.548
477 H ARG 79 HN ARG 79 -11.418 -0.553 -1.236
478 HA ARG 79 HA ARG 79 -13.378 1.406 -1.301
479 HB2 ARG 79 HB2 ARG 79 -14.947 -0.293 -1.632
480 HB3 ARG 79 HB1 ARG 79 -13.448 -0.998 -2.219
481 HG2 ARG 79 HG2 ARG 79 -13.197 -2.125 -0.011
482 HG3 ARG 79 HG1 ARG 79 -14.801 -1.527 0.414
483 HD2 ARG 79 HD2 ARG 79 -14.160 -3.306 -1.934
484 HD3 ARG 79 HD1 ARG 79 -14.847 -3.845 -0.405
485 HE ARG 79 HE ARG 79 -16.436 -1.804 -1.575
486 HH11 ARG 79 HH11 ARG 79 -15.667 -5.213 -1.784
487 HH12 ARG 79 HH12 ARG 79 -17.175 -5.643 -2.523
488 HH21 ARG 79 HH21 ARG 79 -18.432 -2.367 -2.562
489 HH22 ARG 79 HH22 ARG 79 -18.740 -4.023 -2.983
490 H MET 80 HN MET 80 -11.998 -0.107 1.457
491 HA MET 80 HA MET 80 -14.187 0.283 3.257
492 HB2 MET 80 HB2 MET 80 -11.239 -0.008 3.863
493 HB3 MET 80 HB1 MET 80 -12.548 -0.163 5.024
494 HG2 MET 80 HG2 MET 80 -12.067 -1.954 2.655
495 HG3 MET 80 HG1 MET 80 -11.698 -2.334 4.336
496 HE1 MET 80 HE1 MET 80 -14.231 -1.178 5.893
497 HE2 MET 80 HE2 MET 80 -13.487 -2.749 6.190
498 HE3 MET 80 HE3 MET 80 -15.229 -2.631 5.945
499 H GLY 81 HN GLY 81 -12.973 2.585 1.581
500 HA2 GLY 81 HA2 GLY 81 -13.728 4.813 2.181
501 HA3 GLY 81 HA1 GLY 81 -13.085 4.529 3.791
502 H GLY 82 HN GLY 82 -10.607 3.382 3.001
503 HA2 GLY 82 HA2 GLY 82 -8.492 3.959 2.318
504 HA3 GLY 82 HA1 GLY 82 -9.233 5.056 1.168
505 H CYS 83 HN CYS 83 -7.592 4.758 4.176
506 HA CYS 83 HA CYS 83 -6.661 6.259 5.577
507 HB2 CYS 83 HB2 CYS 83 -5.991 7.165 3.257
508 HB3 CYS 83 HB1 CYS 83 -7.187 8.419 3.555
509 HG CYS 83 HG CYS 83 -5.781 8.919 6.152
510 H VAL 84 HN VAL 84 -9.712 5.995 5.385
511 HA VAL 84 HA VAL 84 -10.213 8.169 7.269
512 HB VAL 84 HB VAL 84 -11.249 8.955 5.232
513 HG11 VAL 84 HG11 VAL 84 -13.031 7.719 4.100
514 HG12 VAL 84 HG12 VAL 84 -12.753 6.345 5.170
515 HG13 VAL 84 HG13 VAL 84 -11.496 6.852 4.043
516 HG21 VAL 84 HG21 VAL 84 -13.563 9.205 5.980
517 HG22 VAL 84 HG22 VAL 84 -12.432 9.394 7.320
518 HG23 VAL 84 HG23 VAL 84 -13.334 7.892 7.134